#DEFINITION	Reference Metabolome for Selaginella moellendorffii
#IDENTTFIER	RefMeta-Selaginella moellendorffii.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Selaginella moellendorffii
#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 Selaginella moellendorffii 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	759.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29608	6.0
59.01373	32.5
62.55529	7.4
71.01390	46.4
73.02908	11.1
78.41071	6.2
82.96733	5.5
85.02942	13.5
89.02439	30.1
96.96026	10.9
101.02420	38.3
113.02428	43.1
116.92823	26.2
118.95586	6.4
122.04935	7.7
150.98547	6.0
154.72200	6.9
161.04556	10.7
179.05452	8.3
247.11530	5.9
249.44633	6.8
263.07727	8.9
275.20065	28.1
335.22253	100.0
715.31610	97.1
759.18365	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	759.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29608	6.0
59.01373	32.5
62.55529	7.4
71.01390	46.4
73.02908	11.1
78.41071	6.2
82.96733	5.5
85.02942	13.5
89.02439	30.1
96.96026	10.9
101.02420	38.3
113.02428	43.1
116.92823	26.2
118.95586	6.4
122.04935	7.7
150.98547	6.0
154.72200	6.9
161.04556	10.7
179.05452	8.3
247.11530	5.9
249.44633	6.8
263.07727	8.9
275.20065	28.1
335.22253	100.0
715.31610	97.1
759.18365	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	759.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.2
66.22507	0.9
71.01373	16.7
71.36548	1.2
73.02934	6.8
74.87888	1.2
80.08153	1.0
85.02935	8.7
87.00851	2.4
89.02419	12.9
95.01337	1.6
96.96013	1.9
101.02425	12.8
105.51918	1.2
108.76011	1.4
113.02451	14.3
119.03432	4.2
131.03461	5.9
137.02386	1.3
149.06067	1.8
151.03984	4.2
153.05542	2.5
158.64513	1.2
159.02992	2.0
161.04509	6.4
164.04799	1.9
165.01857	1.5
165.05544	15.6
166.06328	20.8
167.03371	1.1
177.05629	1.4
179.03412	1.4
179.07085	2.4
181.05095	1.9
181.08696	4.9
193.08862	1.2
193.55252	1.2
194.05719	2.0
209.08159	12.3
221.06621	5.4
224.06924	6.8
225.07675	69.2
239.09244	8.2
715.31787	1.9
759.27185	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	759.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.9
60.46382	1.1
60.98334	1.1
62.78632	1.1
62.79016	1.2
66.81450	1.1
71.01373	7.1
73.02934	2.4
87.64510	1.2
89.01974	1.3
89.02419	12.1
101.02431	8.0
111.00870	1.2
112.07453	1.3
113.02392	1.7
119.03461	2.6
149.06055	3.0
151.04034	2.0
165.05531	14.9
166.06342	23.5
177.05515	2.1
179.05656	1.9
179.62187	1.3
181.05074	3.1
181.08681	2.3
209.08141	1.7
224.06914	8.8
225.07686	100.0
239.09309	12.3
249.36890	1.4
283.15991	1.3
323.09967	5.5
520.02960	1.4
597.22058	30.4
759.27228	54.0
759.41058	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	759.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36588	1.7
59.01376	15.0
71.01386	2.6
72.59277	1.8
73.02943	10.5
78.43455	1.9
87.37949	2.0
89.02417	3.3
92.39207	2.4
101.02448	2.1
161.81476	1.8
165.05533	16.3
166.06325	11.5
181.08661	8.0
195.06612	2.2
209.04497	2.9
211.27568	2.3
223.06117	2.7
224.06886	35.4
225.07693	100.0
239.09247	58.8
279.42435	2.5
435.16629	12.8
519.09717	2.4
759.27209	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25713	0.4
58.04094	2.9
59.90111	0.4
60.31511	0.4
71.01366	3.3
71.76059	0.4
77.26163	0.5
82.04094	0.6
97.02908	2.4
98.03308	0.7
122.03744	0.8
123.04502	20.3
125.06054	6.7
126.06354	1.0
145.02921	2.7
146.03737	0.6
147.04501	2.3
149.06049	0.6
150.03265	0.6
151.10904	0.4
164.11986	0.8
165.05553	100.0
166.08739	2.6
167.09026	0.7
169.05038	1.8
191.03535	1.0
192.41310	0.5
208.10934	11.4
209.11244	3.6
235.02335	0.9
252.09894	18.8
253.03529	30.2
253.10228	10.4
367.19238	0.5
504.34427	0.6
505.20416	0.6
506.14151	4.9
506.20633	1.0
578.18970	0.5
600.99438	0.4
616.84814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25041	1.6
57.39169	1.5
60.40089	1.3
61.55584	1.5
63.14357	1.4
73.67786	1.5
73.88346	1.6
79.89456	1.5
87.00858	16.7
90.69653	1.7
101.71182	1.6
112.56779	1.4
123.04506	52.8
135.04486	6.8
149.06058	11.9
151.03944	2.6
161.02414	13.2
165.05580	14.5
167.03461	2.7
170.55446	1.6
179.03493	29.0
193.05019	20.4
195.02974	27.5
255.05098	100.0
302.53168	1.7
306.61349	1.6
341.08594	3.2
460.00708	1.8
469.60257	1.8
503.14005	20.7
550.02509	1.7
633.71246	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	758.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	22.6
71.01365	15.9
72.16071	3.3
74.45399	4.5
77.28221	4.4
82.04084	9.0
85.02921	6.4
89.02443	8.5
101.02424	23.5
113.02402	16.7
141.09218	92.5
182.11865	6.3
224.14038	100.0
257.34860	4.7
282.08917	4.7
287.22495	4.0
294.08859	6.1
300.25970	4.0
309.07397	8.0
322.08472	6.8
323.05536	9.1
338.07990	23.9
341.10330	41.6
353.06656	5.6
353.10385	70.8
371.11353	29.7
533.16809	21.7
651.15143	3.9
706.31097	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	758.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04100	5.6
66.50078	0.6
71.01373	15.4
71.55991	0.6
72.92987	0.6
75.00546	0.7
82.04111	1.6
83.17408	0.7
84.05650	1.2
93.07098	0.8
97.02936	12.2
99.43171	0.7
100.04018	1.0
112.71841	0.7
122.09759	1.2
125.06063	30.0
136.58144	0.8
142.06213	1.3
143.00227	0.7
147.09341	2.5
149.06029	5.0
151.03992	0.8
152.62134	0.7
164.11877	6.1
166.08699	12.1
169.05057	7.7
174.40846	0.8
176.07355	0.8
181.05051	4.8
182.33261	0.7
208.10916	62.9
252.09888	100.0
257.95425	0.7
488.36804	0.8
505.20541	7.7
653.17981	0.8
664.49792	0.8
665.91321	0.8
749.99774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57291	1.1
58.02973	11.7
59.01381	1.7
66.13158	1.1
70.02981	7.2
82.61221	1.2
87.35109	1.4
91.05517	11.2
101.54641	1.2
128.17807	1.1
135.24039	1.3
147.04514	19.0
162.09207	1.6
164.07167	96.1
167.03474	1.4
203.00598	1.3
206.08228	100.0
230.60434	1.2
250.07362	2.0
471.38199	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	758.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64125	1.6
53.66921	1.6
55.28876	1.5
59.01373	4.3
60.33843	1.7
62.55341	2.1
71.01377	1.8
71.20303	1.6
73.02947	3.5
79.27221	1.7
83.69443	1.7
85.02897	2.0
86.00087	3.8
87.00851	13.8
92.65829	1.8
122.06097	7.3
123.04506	9.2
136.07663	21.2
150.05591	93.7
152.07138	8.6
161.02422	10.4
162.05608	2.4
164.07138	2.0
165.05554	22.2
166.05954	3.1
169.46028	2.2
175.06419	3.2
176.07137	16.7
179.03546	12.6
194.08212	7.3
222.07837	2.6
242.76813	2.0
244.70409	2.2
253.03406	2.3
261.93549	1.9
312.11002	4.6
341.08777	8.0
354.11945	12.5
372.12988	100.0
372.17682	3.5
411.19577	1.9
424.88980	2.3
432.46713	1.8
503.14441	3.3
504.14056	2.9
637.62610	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	757.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	57.8
61.91537	1.5
63.69568	1.4
71.01360	9.8
73.02939	3.7
78.48910	1.5
89.02430	4.0
97.63538	1.7
101.02429	9.6
113.02425	9.8
119.03448	1.7
142.30188	1.7
188.86269	1.7
374.46457	2.1
395.78085	1.9
402.05920	1.6
424.65967	1.8
449.32742	2.2
451.22672	1.8
609.39276	3.4
611.38031	8.2
713.31348	4.4
713.41266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15979	2.2
59.01374	46.0
71.01373	21.9
73.02940	40.1
85.02914	2.9
89.02459	5.2
92.19380	4.2
96.96032	3.7
101.02414	42.8
113.02398	10.6
131.03455	4.3
161.04536	10.5
203.05560	14.5
221.06587	16.4
235.59972	2.7
263.07639	11.3
267.17410	3.0
285.18558	11.7
320.37735	3.1
405.12851	3.1
444.83337	2.8
481.44095	3.2
713.30164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37058	2.4
59.01379	33.6
67.41762	3.0
71.00554	2.7
71.01044	2.9
71.01371	28.0
71.05969	2.3
73.02914	4.4
85.02940	11.7
87.00809	3.3
89.02439	19.3
101.02439	30.0
108.02113	3.4
113.02451	18.7
119.03479	14.4
121.99065	2.7
122.03683	3.2
123.04498	19.5
125.02423	10.2
127.05114	16.5
128.03526	9.9
136.49712	2.7
150.03191	43.1
151.04002	3.4
157.72128	2.8
161.04488	5.8
164.03510	13.0
164.04761	3.7
165.05548	94.6
177.04350	4.9
178.05075	21.8
180.04285	11.6
192.06668	13.4
195.06621	12.8
218.04660	6.5
218.73332	2.7
231.11388	10.6
249.12444	11.6
315.13586	2.9
337.16040	3.1
340.14328	31.3
355.16522	14.6
381.14706	9.1
432.40460	2.9
595.23230	5.4
747.35754	3.2
757.26569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82601	0.4
60.75918	0.4
61.31247	0.4
78.41351	0.4
79.22031	0.4
83.04111	0.4
135.04488	0.6
149.02428	5.7
152.01128	2.5
154.98254	0.5
155.71558	0.4
163.04045	1.0
164.04788	23.2
165.76450	0.5
169.05043	0.7
179.07121	11.2
193.01401	5.4
208.03761	72.2
209.79010	0.5
211.03517	0.5
220.00311	0.5
221.08115	0.5
223.06110	100.0
311.00806	0.5
351.43048	0.6
358.40341	0.5
595.20337	33.8
757.25720	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	757.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.1
68.52638	2.4
71.01368	11.5
77.73743	2.5
83.01376	3.4
85.02934	3.7
89.02425	4.4
96.95975	10.8
101.02401	6.3
103.02661	2.9
113.02444	5.2
137.32167	2.6
144.43677	2.6
149.02396	11.6
152.01134	12.2
161.04744	4.6
163.03897	3.5
164.04787	64.9
167.03481	13.1
178.06422	3.6
179.07092	41.3
203.08376	4.0
208.03767	82.5
222.05385	33.8
223.06111	96.9
233.09341	11.0
234.09602	3.8
237.07684	28.7
245.09373	2.9
595.20111	23.7
616.80963	3.1
636.27374	13.8
657.12305	2.9
757.25574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.3
71.01368	3.0
73.02958	1.0
75.88870	0.8
87.66150	0.7
89.02418	2.9
101.02422	1.0
108.02148	13.8
119.03510	1.0
123.04511	16.7
137.02451	2.7
152.01143	49.3
161.04541	1.4
167.03481	100.0
179.07112	1.4
200.73561	0.7
319.73767	0.8
334.68100	0.8
387.30591	0.8
417.93311	0.8
707.66296	0.9
713.22845	43.6
757.25934	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	755.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33917	1.1
59.01377	100.0
63.12816	0.9
67.56127	0.9
71.01365	7.0
73.02932	4.0
82.00624	0.9
83.01373	1.7
83.12222	1.0
83.19125	1.0
85.02938	4.8
85.81549	0.9
101.02419	14.8
113.02426	6.2
161.04535	7.9
186.12103	1.0
251.07816	1.1
291.18091	12.0
330.54767	1.1
333.19226	27.6
764.42474	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	757.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
72.89814	0.5
81.16327	0.5
122.03722	3.0
123.04501	41.6
135.04517	3.9
145.02933	6.8
147.04501	4.7
150.03195	2.1
161.02423	15.5
165.05551	100.0
179.03502	17.1
185.64265	0.5
253.03517	18.5
340.29282	0.5
341.08777	14.6
503.14093	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	755.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33005	0.8
56.34805	0.8
59.01377	100.0
71.01369	11.0
73.02930	7.0
83.01368	1.1
85.02927	6.4
89.02416	1.2
92.20014	4.0
95.01299	1.2
99.00848	2.1
101.02435	17.6
113.02437	8.7
114.24639	0.9
114.67297	1.0
142.16139	0.9
159.03017	1.5
161.04573	7.9
205.67657	0.9
291.18210	14.0
333.19153	27.9
344.06851	1.0
424.66940	1.0
713.32977	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	755.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	52.9
71.01369	48.0
73.02942	18.7
81.03487	3.9
83.01362	5.3
85.02939	13.3
89.02443	44.4
97.02908	6.3
99.00863	7.8
101.02425	70.9
111.00895	6.1
113.02460	33.3
117.75514	3.2
119.03452	20.9
125.02422	13.2
131.03452	5.5
132.32607	3.1
141.01921	3.2
143.03462	12.8
152.01180	4.1
161.04556	22.7
166.92191	3.4
179.05649	3.8
183.10286	6.9
203.05579	3.8
221.06631	8.2
255.37918	3.6
283.88864	3.9
341.10251	5.2
342.11197	5.7
356.12872	3.4
359.14963	4.9
371.15179	3.5
383.11682	5.2
695.31360	100.0
711.25745	5.6
755.24774	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	755.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59988	1.1
59.01381	48.4
60.49368	1.1
71.01380	38.3
73.02935	13.2
77.66676	1.4
83.01376	6.0
85.02940	12.3
87.00866	3.0
89.02432	28.8
90.88313	1.3
95.01380	2.2
99.00882	2.3
101.02441	43.2
107.40141	1.3
111.00826	2.0
112.52972	1.6
113.02438	26.5
113.10522	1.3
119.03470	10.6
125.02435	3.3
127.07614	1.5
127.19456	1.4
131.03488	9.9
139.07629	2.3
143.03450	2.1
161.04543	13.0
164.04684	2.0
179.05766	2.5
179.07137	61.2
203.09482	1.5
221.06581	8.8
221.60245	1.2
241.31418	1.6
260.50296	1.4
263.07559	2.1
269.09418	1.2
327.21884	4.8
345.22998	9.8
357.33508	1.5
368.10861	1.5
431.42044	1.5
489.27206	7.4
507.28049	14.6
593.22400	2.4
669.33252	3.2
711.34613	100.0
713.26648	7.7
755.27710	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	0.6
59.01375	10.1
71.01373	4.7
73.02938	0.7
79.95664	0.4
83.01388	0.4
85.02944	1.8
87.00864	1.5
89.02426	9.1
96.95992	2.7
101.02426	8.8
112.86838	0.4
113.02457	4.4
119.03481	4.6
125.09714	5.8
135.08122	0.9
153.09195	12.5
155.10780	2.5
167.10744	4.0
169.08656	2.3
171.10249	28.5
195.10316	0.6
197.08173	8.2
213.11314	0.7
215.09230	23.4
215.11282	0.8
231.34792	0.4
239.09224	0.9
257.10208	3.7
333.15570	3.1
347.07602	0.5
359.13434	3.6
377.14523	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	755.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	55.7
59.37868	2.0
68.69442	2.0
71.01373	38.8
73.02936	16.5
78.74545	2.2
83.01366	4.8
85.02948	10.9
87.00871	5.3
89.02434	35.0
95.01385	4.1
99.00844	3.9
101.02437	45.7
113.02444	32.7
119.03494	13.7
131.03503	12.0
134.71155	2.8
143.03493	2.5
161.04514	16.3
179.05664	7.6
179.07109	86.4
221.06648	9.5
295.20938	2.9
327.83099	2.6
507.28177	4.1
522.03674	2.6
576.22186	2.7
669.33545	3.3
695.26123	3.4
711.34320	40.0
713.26361	3.9
755.27753	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	755.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31929	0.3
98.69579	0.4
107.05019	4.2
133.06583	1.5
135.04454	0.5
141.73656	0.4
149.06070	14.6
177.05554	16.8
179.03488	32.7
189.69827	0.5
195.06570	3.3
221.04579	2.4
239.05608	100.0
528.98322	0.4
642.79358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95820	0.9
54.72091	0.8
59.01380	39.0
60.49172	0.8
62.96111	0.8
71.01372	32.5
72.99297	1.2
73.02946	10.2
80.95803	0.8
83.01387	2.1
85.02953	7.9
87.00846	6.6
89.02431	39.4
95.01373	1.9
97.02948	1.9
99.00850	1.5
101.02431	40.2
110.83845	1.1
111.00832	1.4
113.02430	19.3
113.06051	1.5
119.03482	19.8
121.10237	1.6
125.02424	5.2
127.07644	4.2
131.03496	14.0
131.07147	13.2
143.03473	4.8
149.04565	1.2
159.02965	1.1
161.04535	20.5
171.06621	4.5
173.08154	4.0
179.05563	7.0
184.99701	0.9
203.05595	1.0
221.06664	16.4
245.06525	1.2
271.87390	0.8
272.06155	0.9
297.71884	0.9
312.91995	0.9
323.09784	3.5
341.10297	5.6
344.12805	1.1
356.12686	1.8
371.15198	6.9
383.11896	2.1
711.27222	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	755.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27975	2.1
58.55191	2.2
59.01386	19.0
61.00138	1.6
63.00847	2.0
63.76127	1.8
71.01379	9.5
72.46906	1.8
88.83905	1.9
89.02431	23.5
92.19417	4.0
101.02428	15.7
113.02418	17.5
119.03484	8.7
127.94987	2.1
145.08698	50.2
146.38382	2.3
161.04538	2.7
307.13989	100.0
403.80267	2.2
711.27124	14.6
754.00891	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	755.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.4
71.85722	2.9
78.47523	2.3
95.77864	2.4
100.48539	2.6
109.72816	2.6
128.83328	2.7
166.09714	3.0
297.07562	11.7
325.07227	14.1
335.05804	3.6
353.06671	87.1
367.08221	5.5
391.07993	4.0
395.07672	34.0
437.08746	4.8
755.20331	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	755.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
59.73361	0.7
67.10760	0.6
71.01375	3.0
71.84707	0.6
89.02419	3.1
101.02435	1.5
113.02393	1.0
151.00337	1.5
161.04489	0.7
166.79095	0.7
178.99817	3.4
216.92618	0.8
216.97386	0.7
243.03004	1.3
255.02911	9.1
271.02469	19.0
272.03204	1.4
287.85208	0.9
299.01929	1.3
300.02756	100.0
301.03491	3.5
337.22449	0.8
604.51617	0.7
633.59668	0.8
655.50763	0.7
755.20392	37.4
755.33899	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	755.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59420	1.1
59.01378	45.1
60.41990	1.1
71.01375	40.0
73.02934	10.6
82.82690	1.3
83.01405	2.4
85.02943	8.1
87.00837	9.7
89.02432	47.7
95.01372	1.7
97.02925	2.4
99.00846	1.3
101.02438	45.9
112.71445	1.3
113.02451	24.5
118.06616	1.7
119.03507	19.2
121.10198	1.6
125.02425	8.4
131.03503	18.3
141.01888	1.2
143.03493	5.4
159.03017	1.8
161.04541	23.8
179.05592	8.2
189.82089	1.2
198.11327	2.2
216.12436	1.5
221.05046	1.2
221.06728	19.2
221.28375	1.3
276.46350	1.3
278.38138	1.2
435.33127	1.4
468.86713	1.5
497.44858	1.4
711.27106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21330	1.6
55.86120	1.7
58.05241	1.7
65.00162	1.9
66.81357	1.8
89.27435	1.8
96.95990	8.1
296.06891	31.8
311.05743	2.6
323.05481	2.9
333.17102	2.1
353.06580	34.8
365.06607	2.2
383.07745	23.7
515.11780	27.7
545.13171	14.6
755.20441	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	755.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	10.0
57.43645	2.3
62.92266	2.3
63.72876	2.4
71.01376	2.5
85.02939	76.2
96.96007	2.9
101.02409	5.8
111.00854	35.8
129.01895	23.8
137.02441	11.9
205.03532	45.5
207.71144	2.5
223.04581	100.0
305.36041	2.8
363.06876	2.6
369.08246	21.4
385.07776	28.1
506.79138	2.9
585.99902	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	755.1831
Annotation	UNII-8PGL6583N7
Peak:m/z	Relative Intensity
56.59674	0.4
59.01369	2.1
71.01377	1.0
78.63768	0.4
79.35069	0.4
84.59537	0.4
89.02448	0.8
101.02428	1.1
107.28964	0.5
151.00343	5.6
178.99873	6.1
243.02917	1.8
254.02068	0.8
255.02969	9.7
271.02478	18.6
272.03256	1.2
299.01965	3.5
300.02759	100.0
301.03589	7.6
335.21771	0.6
429.78918	0.6
609.14398	6.3
695.31525	0.6
711.28339	0.7
755.18359	33.0
755.31116	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	754.293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	10.3
59.01088	1.2
59.01379	29.1
63.29430	1.0
70.02982	6.9
71.01366	6.4
73.02941	2.1
85.02935	1.5
85.63007	1.1
89.02420	3.7
91.05519	9.5
101.02447	4.7
106.55052	0.9
112.09460	0.9
113.02395	2.2
119.03457	1.6
147.04518	21.4
163.39610	1.0
164.07161	98.0
206.08220	100.0
219.13901	4.8
250.07225	5.5
399.20282	13.7
417.21246	4.4
459.22375	42.1
506.16824	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	753.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
72.99303	6.2
75.00863	100.0
85.02978	1.7
185.25235	1.2
187.24704	1.6
379.60748	1.4
530.09473	1.6
594.35303	1.6
677.49292	9.2
753.50873	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	753.335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02960	1.1
59.01376	0.7
59.54919	0.6
71.95902	0.7
92.39286	0.7
92.67831	0.6
119.86600	0.8
121.02951	0.9
123.35419	0.8
125.02441	1.1
135.04512	23.1
136.04022	2.9
137.02432	53.7
147.04532	1.1
154.14281	0.7
161.02422	1.8
164.07158	14.1
170.86147	0.7
172.60921	0.8
206.08212	9.3
252.05066	4.0
291.17081	1.3
308.19785	3.2
334.17770	14.5
350.20822	3.4
365.19705	1.1
470.23053	1.5
487.23236	48.0
502.25616	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	753.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99828	0.7
61.36440	0.8
67.09721	0.8
72.93961	0.9
87.00861	1.1
108.72777	0.9
108.75225	1.1
130.28014	1.0
131.68089	1.0
133.02907	1.6
135.04523	16.5
161.02431	100.0
179.03499	21.4
179.05635	8.8
179.35950	1.1
182.49348	0.9
216.17348	0.9
249.09853	1.8
249.12428	45.6
341.08765	73.9
409.42889	0.9
411.17764	16.4
411.41861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	35.2
66.91009	2.5
71.01374	27.2
73.02935	21.9
83.01382	3.4
85.02930	9.0
87.00874	2.7
89.02430	13.8
96.95979	13.8
97.02962	3.5
99.00875	2.8
101.02438	31.1
109.06548	2.6
111.08121	2.4
113.02477	16.4
119.03470	4.5
121.87370	2.5
125.02438	8.6
131.03499	10.6
136.01610	3.4
138.59456	2.3
139.07631	4.1
151.03998	9.4
161.04515	13.5
166.02711	3.3
181.05115	4.9
203.09259	17.8
229.41792	2.4
263.07596	2.6
323.09702	3.0
325.20279	8.6
327.21677	21.5
343.21185	8.0
365.10864	13.2
387.14252	3.2
572.40692	2.5
656.71967	3.0
667.31354	3.0
709.33069	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	753.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69535	2.8
87.78784	3.3
87.85298	3.4
116.92838	100.0
474.94086	4.3
774.03076	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	753.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00574	3.6
59.01373	67.6
69.19444	3.3
71.01363	49.5
73.02934	15.6
85.02946	17.0
85.82282	4.1
87.00884	4.3
89.02426	37.8
99.00868	5.3
101.02436	65.1
101.34422	4.1
112.01584	4.7
113.02410	26.5
118.78732	4.9
119.03482	9.4
125.02440	7.5
131.03459	5.0
137.09760	4.7
143.03488	7.5
143.19879	4.2
145.58913	4.7
161.04483	5.0
181.08693	19.7
181.58748	3.9
296.13129	3.9
323.09897	4.9
343.13852	20.5
349.65582	4.1
495.19467	4.6
608.30847	4.6
637.82697	4.2
649.23389	24.9
667.24701	23.0
709.25623	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	753.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99828	0.7
61.36440	0.8
67.09721	0.8
72.93961	0.9
87.00861	1.1
108.72777	0.9
108.75225	1.1
130.28014	1.0
131.68089	1.0
133.02907	1.6
135.04523	16.5
161.02431	100.0
179.03499	21.4
179.05635	8.8
179.35950	1.1
182.49348	0.9
216.17348	0.9
249.09853	1.8
249.12428	45.6
341.08765	73.9
409.42889	0.9
411.17764	16.4
411.41861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.9
59.98612	4.1
61.60069	3.8
61.72795	3.1
70.21516	3.4
92.19998	8.0
95.97712	3.5
96.95981	18.6
99.05769	3.8
102.28115	3.3
113.33427	3.6
114.67278	3.5
116.53970	3.3
120.01243	30.2
122.06103	6.8
129.05544	9.0
134.06079	6.4
152.07089	4.6
160.04019	21.6
164.07086	4.1
177.06700	8.8
201.06671	21.4
212.10800	17.0
216.20319	3.7
229.09738	4.2
240.08974	16.2
241.09843	7.0
255.11404	79.8
256.12128	18.9
331.12961	7.1
420.12265	19.4
448.80261	3.8
530.66248	4.1
752.25964	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	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39189	9.2
56.79352	10.6
59.01368	26.8
71.01372	26.4
77.13340	9.9
85.02919	12.0
86.62704	9.6
89.02424	45.2
99.08142	23.3
101.02444	40.9
101.35947	9.8
113.02396	13.9
119.63824	10.6
122.43933	9.1
129.11562	10.4
141.82062	12.5
193.12422	14.1
226.79750	11.3
235.08110	15.2
293.21210	67.5
397.13452	100.0
415.14539	37.8
512.32031	12.8
691.35449	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42156	36.5
70.39353	38.0
101.02445	60.9
115.21928	53.6
118.20601	50.3
134.79515	44.3
175.83621	47.0
293.21442	100.0
397.13419	74.8
670.76306	49.0
708.68695	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.1
59.75745	0.9
64.53233	0.8
68.82997	0.9
69.03435	1.3
71.05016	13.4
72.34679	0.8
83.05009	1.5
97.88638	1.0
99.15669	1.0
101.24546	0.9
102.99877	0.9
123.08130	3.8
125.09706	100.0
128.25659	0.9
169.08694	91.3
301.47952	1.1
330.33884	1.1
382.71640	1.2
392.58847	1.3
457.01752	1.0
522.24017	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	751.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
63.30645	1.1
64.99258	1.3
67.28864	1.4
71.01378	11.9
71.31143	1.2
73.02943	6.2
83.01373	1.4
83.10220	1.3
85.02949	5.2
85.22133	1.5
101.02442	11.6
101.03014	1.3
102.58466	1.5
113.02430	9.1
142.71120	1.2
143.03470	1.4
161.04507	6.2
172.76549	1.5
280.45001	1.5
289.16522	6.6
297.87088	1.7
331.17612	22.4
629.53870	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	751.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80951	1.3
54.65258	1.4
59.01374	100.0
71.01369	10.4
73.02935	18.8
77.93556	1.4
83.01370	2.9
84.31133	1.4
85.02943	1.2
88.91928	1.1
89.02434	14.6
92.19337	1.8
95.13563	1.4
101.02434	18.1
113.02452	7.9
119.03458	8.0
128.75824	1.2
131.03555	1.4
143.03419	1.6
143.08057	1.4
149.04550	2.5
161.04556	5.6
169.93777	1.4
195.12714	1.4
217.51764	1.3
221.06635	2.4
241.26704	1.8
246.22652	1.5
287.10306	1.5
331.17603	8.7
346.84689	1.4
386.03879	1.8
396.44440	1.5
481.37363	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	751.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98568	0.5
59.01377	100.0
59.32147	0.6
60.24069	0.5
71.01369	9.6
72.44382	0.6
73.02943	4.7
81.22380	0.6
83.01369	1.0
83.55356	0.6
85.02934	5.1
86.83865	0.6
89.02426	5.2
99.00838	0.9
101.02431	18.1
113.02456	6.7
134.03426	0.6
142.58997	0.6
159.02980	1.1
161.04549	11.7
169.52678	0.7
179.05563	1.1
235.11848	36.0
277.12918	45.4
321.11865	1.0
323.11600	0.7
429.21149	4.0
525.98663	0.7
693.08344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05674	4.2
54.43908	3.4
55.94397	3.5
59.01374	65.5
71.01374	74.8
71.24811	4.1
73.02940	22.5
73.67561	3.7
85.02930	21.7
87.00880	4.6
89.02408	37.2
99.00871	4.9
99.49623	4.2
101.02432	60.5
113.02427	39.3
119.03439	15.4
125.02416	18.2
143.03456	6.2
146.03703	37.4
161.04651	15.2
161.06053	24.5
164.04765	31.8
179.05672	4.9
179.07117	100.0
221.06590	6.5
323.09818	8.9
355.08801	5.0
453.84161	5.0
647.21692	52.7
665.23108	51.5
707.24377	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17421	0.4
59.01369	2.2
67.20634	0.3
69.37787	0.4
71.01365	2.5
73.02941	0.8
83.21643	0.4
85.02937	1.7
89.96572	0.4
93.03439	19.8
96.95972	0.5
101.02419	1.7
103.78524	0.4
110.69689	0.4
113.02457	0.8
136.01001	0.4
137.02431	100.0
153.05608	0.4
164.09779	0.4
181.05028	3.2
181.65263	0.4
199.11331	0.4
299.07721	26.4
343.10501	1.0
507.40216	0.4
595.25458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55449	1.1
59.01383	19.2
71.01367	23.8
73.02940	9.0
83.01402	1.1
85.02929	5.9
87.00857	7.6
89.02434	14.3
96.95979	2.1
101.02428	19.7
109.06571	5.3
113.02438	11.2
115.90333	1.3
119.03464	5.9
127.07630	6.9
131.03517	12.4
139.07639	2.3
141.29599	1.1
143.03421	1.5
149.09668	13.7
159.02991	2.1
161.04520	14.3
173.08179	45.3
195.68440	1.1
203.09239	9.3
203.34119	1.2
221.06628	5.8
249.59772	1.3
259.16788	1.3
305.17331	1.4
323.18655	1.2
430.93341	1.2
707.31396	100.0
751.32428	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	749.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	59.8
60.94680	2.3
61.43061	2.3
71.01375	65.5
73.02938	15.0
83.01387	3.3
85.02930	16.4
87.00867	9.9
89.02435	100.0
95.01354	2.7
97.02937	3.8
98.71814	2.7
99.00898	3.0
101.02435	83.4
106.87360	2.6
108.65990	2.8
113.02444	44.8
119.02783	3.0
119.03497	38.5
125.02390	10.9
130.02428	2.6
131.03464	24.3
134.67346	2.5
143.03482	13.7
149.04477	2.6
161.04558	36.6
179.05592	20.3
221.06618	32.2
229.09390	2.7
246.59358	2.9
285.46545	2.5
323.09671	4.4
341.10901	6.0
383.11899	11.1
684.27051	2.8
705.29761	75.3
749.28772	90.6
776.63086	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	749.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	45.8
89.02430	53.5
97.06554	61.0
106.38519	27.7
291.19717	31.6
397.13586	100.0
561.30396	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	32.6
63.68492	17.5
71.34914	18.3
84.71098	21.3
85.96600	19.2
86.00800	16.4
89.31355	17.3
90.12908	17.3
97.06580	41.8
99.97240	21.3
105.15026	18.0
134.12419	21.7
191.67647	18.9
291.19861	29.3
308.76801	17.5
385.25073	22.4
397.13464	100.0
407.77136	19.6
660.09772	22.7
689.33655	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15410	7.5
62.04973	7.6
64.83176	8.4
87.00880	16.4
88.67991	9.7
96.96008	33.6
100.93356	12.1
116.92847	61.1
291.19659	23.0
357.46671	9.2
446.07730	12.8
554.71503	10.4
564.10693	14.0
590.77509	10.4
683.18134	17.0
701.18677	12.1
749.21265	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	749.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00580	0.8
56.66465	0.7
58.04087	1.0
61.68030	0.8
62.29199	0.6
63.55799	0.7
67.52721	0.7
71.01377	1.7
77.42213	0.7
78.42329	0.7
87.00863	100.0
97.02947	1.7
111.04510	9.4
124.17034	1.0
125.06075	4.3
137.02469	1.8
155.03551	1.0
156.03136	0.9
164.11931	1.3
166.08763	1.4
208.10863	8.1
243.05099	42.1
252.09917	11.6
427.77234	1.0
491.17618	1.0
496.15863	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	748.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40788	0.8
57.22176	0.8
59.01374	1.0
64.58019	0.8
70.02969	1.0
71.01375	5.2
74.02457	4.1
75.00333	0.9
82.04082	9.1
82.72073	1.0
85.97237	1.0
107.40155	1.1
141.09204	98.2
163.03929	1.1
164.04805	1.2
180.07915	3.7
194.05878	1.9
195.06592	1.8
203.08252	5.8
204.08653	1.5
224.14027	100.0
245.09317	5.7
246.09639	4.4
254.30811	1.2
316.13190	2.2
328.13123	5.8
331.15482	17.6
343.15543	9.6
354.83331	1.0
360.42029	1.0
361.16562	58.9
492.31851	1.2
523.21631	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	748.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81788	1.0
69.69184	1.1
85.80128	1.1
97.05309	1.2
131.54414	1.5
147.04492	4.6
147.52411	1.2
153.79314	1.2
164.07181	9.6
200.10785	1.7
222.80508	1.2
224.06926	1.1
227.11890	2.4
244.09767	2.0
245.10576	5.3
314.18976	1.7
405.63892	1.2
447.15866	2.1
447.21741	43.4
462.24026	100.0
717.15613	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	747.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
67.74286	1.4
71.01371	27.5
73.02937	62.2
83.01375	12.9
85.02930	3.2
87.00873	1.5
89.02425	11.7
97.15588	1.3
100.93316	1.7
101.02427	47.6
113.02436	17.4
114.06738	1.4
115.00337	2.7
116.92852	2.8
119.03506	6.3
131.03430	2.8
143.03471	2.2
149.04539	10.1
161.04539	17.1
175.02469	5.9
216.65277	1.5
221.06612	8.2
269.13007	2.8
429.17535	1.7
571.25977	2.4
612.09711	1.6
703.35986	3.0
747.28351	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	747.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69258	1.1
59.01377	100.0
69.03440	1.6
69.11943	1.1
69.12421	1.1
71.01373	23.9
73.02935	78.5
75.00880	1.2
77.97881	1.2
79.24439	1.1
83.01373	15.1
85.02926	2.6
89.02444	10.2
90.89465	1.2
101.02434	47.3
113.02442	19.8
125.02356	1.3
130.95518	1.2
131.03476	5.5
135.94507	1.1
136.91986	1.1
143.03490	2.9
149.04532	7.9
150.16331	1.2
161.04553	13.3
203.05615	1.5
221.06676	4.8
414.40955	1.2
512.63019	1.2
617.30750	1.3
710.20953	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	747.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18187	1.3
56.19731	1.4
59.01381	100.0
59.09042	1.3
71.01376	26.0
73.02939	17.7
76.23386	1.5
76.63994	1.4
79.67423	1.5
85.02919	12.8
87.00844	1.9
87.22974	1.5
89.02441	18.2
91.04926	1.5
95.01336	5.8
96.78445	1.5
99.00847	2.3
101.02425	24.9
113.02428	32.3
119.03471	8.5
125.02410	2.5
131.03496	2.0
134.82635	1.4
145.88240	1.8
148.01674	1.5
161.04539	7.1
179.05519	1.7
338.78860	1.7
460.36475	1.6
539.24921	8.5
557.26141	16.6
575.26947	2.2
599.27032	24.4
617.28162	25.5
643.33270	1.7
659.29144	17.1
703.34338	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	747.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.43786	0.9
71.01376	11.4
73.02934	6.3
77.56446	0.9
83.01379	1.0
83.54637	0.9
85.02939	5.6
86.30886	1.0
89.02431	9.9
91.08275	1.0
99.00926	1.2
101.02422	15.6
113.02436	11.5
113.87352	0.9
119.03468	4.0
161.04530	6.5
171.06494	1.0
199.02798	1.1
203.08313	1.7
245.09334	2.0
245.52016	1.1
246.79898	1.1
269.10239	1.7
305.16150	4.0
311.11319	9.5
347.17166	34.9
471.47659	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	747.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.03981	1.1
61.39101	1.2
63.63982	1.2
71.01374	26.8
73.02936	65.4
83.01373	13.9
85.02947	6.9
87.00781	1.6
89.02425	13.2
100.06859	1.2
101.02431	57.9
113.02441	20.7
119.03476	7.4
119.04996	11.4
131.03481	2.6
143.03549	2.1
147.32564	1.3
149.04532	10.5
161.04533	17.5
161.59874	1.5
163.03957	5.9
179.05594	5.9
180.46890	1.5
221.06612	14.1
247.84355	1.4
325.09271	2.2
377.18219	28.2
412.06638	1.6
460.81400	1.6
517.15277	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	747.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69692	1.2
72.21935	1.1
74.36590	1.2
87.00848	1.4
88.31480	1.2
92.19281	2.2
96.96003	1.6
101.40853	1.2
110.55782	1.3
135.04506	24.4
161.02428	100.0
179.03496	35.4
179.05110	2.2
179.05669	2.1
208.82231	1.5
217.43799	1.4
246.93544	1.4
323.07675	2.5
341.08786	48.8
503.14090	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54939	1.8
68.54818	1.7
74.50111	1.6
91.05486	7.4
91.08076	1.6
96.04476	2.6
118.06597	34.2
147.04538	12.2
151.07689	2.2
158.09697	7.9
164.07120	3.4
200.10738	2.1
212.14377	2.8
232.02226	1.6
255.18669	2.3
269.11801	36.6
281.11801	12.2
305.62555	2.0
446.24481	100.0
452.31680	2.1
606.31995	2.0
706.94208	2.0
746.38452	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	746.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89070	0.3
59.01386	0.2
67.57815	0.3
68.58827	0.3
71.01360	0.3
80.35987	0.3
101.02414	0.3
128.10759	0.5
130.08719	100.0
133.06561	0.3
140.93230	0.3
147.32028	0.3
149.09724	2.3
151.07669	0.4
152.00439	0.3
156.06682	0.3
193.08733	2.8
251.04208	0.3
262.18188	0.5
324.18170	51.3
421.20825	0.4
689.42938	0.3
702.33722	0.5
769.52740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32009	0.9
54.39225	0.8
55.39496	1.0
55.93723	1.0
64.66129	1.0
74.50346	1.0
87.00842	1.5
89.69149	1.0
102.46691	1.1
110.67700	1.0
131.54042	1.1
133.02950	1.7
135.04521	22.2
148.60747	1.0
161.02435	85.6
179.03491	90.9
323.07663	2.1
341.08783	68.6
354.73300	1.1
502.05585	1.1
503.14130	100.0
593.88977	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	747.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93420	0.9
56.91019	0.9
59.01352	1.1
66.80563	1.0
76.05225	1.0
81.99547	1.2
84.88379	0.9
87.00859	8.6
97.26669	1.0
117.44659	1.0
128.15053	0.9
133.02971	1.4
135.04520	25.2
161.02420	93.1
179.03487	97.0
235.01210	1.2
323.07596	1.2
341.08771	71.8
390.83948	1.0
458.70825	1.2
503.14072	100.0
674.10571	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	746.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68338	1.1
57.30541	1.3
58.04099	12.3
61.25017	1.0
71.01380	18.2
82.04092	2.5
84.05664	1.4
87.07128	1.1
97.02943	20.7
102.82432	1.4
113.14069	1.7
122.09777	1.9
125.06067	40.9
147.09286	2.7
149.06047	3.2
149.60634	1.5
164.11894	5.4
166.08701	13.0
169.05008	5.5
208.10910	35.1
252.09895	100.0
312.22928	1.3
361.82635	1.4
410.81747	1.5
493.15851	2.0
514.07971	1.4
716.86182	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	745.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28841	2.0
57.55852	2.1
59.01372	2.9
64.78432	2.0
71.01370	2.9
74.02454	2.2
81.60400	2.2
89.02430	2.4
96.71952	2.2
99.00861	3.8
101.02428	10.6
113.02419	2.8
116.05035	5.5
140.40857	2.3
181.12325	12.3
185.04807	3.7
186.05560	9.8
198.87993	2.4
199.13383	18.0
203.08273	3.2
207.10153	3.2
223.06088	2.5
225.11397	32.8
243.09901	3.6
243.12361	92.5
266.50610	2.4
270.01822	2.5
296.91742	2.6
325.17990	3.2
326.18680	5.6
335.22226	3.7
357.16925	3.2
372.19278	4.5
484.00467	2.4
486.22470	4.0
487.10059	2.8
501.25098	100.0
701.33722	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	745.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01616	0.9
59.01378	21.5
66.98802	0.9
71.01373	17.9
73.02927	6.6
83.01378	2.0
85.02937	8.2
85.96793	0.9
89.02432	9.8
95.01381	2.3
97.02986	1.3
99.00878	2.4
99.92544	1.1
100.88007	1.1
100.93353	8.9
101.02433	18.6
113.02444	12.0
115.92082	11.0
116.92854	1.8
125.02375	2.0
131.03461	1.1
136.12566	0.9
143.03479	1.5
159.02998	1.3
161.04633	3.9
174.75780	1.0
259.20657	1.7
291.23196	2.2
335.22308	29.2
372.28152	1.0
380.35022	1.2
455.52203	0.9
479.26486	4.9
497.27414	12.3
532.02515	1.4
539.28033	1.1
701.33948	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	745.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05322	2.1
57.86625	1.8
59.01378	34.3
63.63946	2.0
63.79640	1.8
65.85505	2.0
71.01366	22.0
73.02929	9.9
85.02947	11.3
87.00878	2.3
88.14540	2.4
89.02443	12.9
93.90331	2.0
101.02429	24.8
108.72891	2.4
113.02454	18.7
119.03518	3.3
131.03494	4.9
141.77124	2.1
161.04539	10.8
161.05809	2.1
177.96498	2.1
180.04317	2.4
187.06183	2.2
221.06598	3.5
232.28310	2.1
264.70068	2.7
335.22198	31.3
479.26971	2.8
497.27435	11.2
659.33588	3.5
701.33899	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	745.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76823	2.3
59.01381	33.7
70.45116	3.2
71.01376	35.3
73.02946	4.9
73.64418	2.6
83.01397	2.7
85.02934	13.6
87.00880	3.4
89.02433	11.3
92.19395	3.0
96.17458	2.6
99.00915	4.5
101.02423	31.7
113.02427	15.1
116.92876	4.0
119.03456	4.7
149.85324	3.0
152.01683	2.6
161.04541	3.0
181.77303	2.5
185.29971	3.0
335.22238	12.9
375.78769	3.5
441.58759	3.6
617.37256	3.0
657.34460	3.1
701.33887	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	745.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76403	2.1
59.01378	22.3
71.01369	23.6
73.02940	5.6
83.01361	3.3
85.02921	5.3
89.02422	10.7
96.96014	4.0
101.02438	25.2
113.02436	13.2
116.92873	6.1
119.03484	5.6
131.03511	6.1
153.59700	2.9
161.04460	12.9
187.12250	2.7
221.06601	4.0
227.12000	2.9
317.21194	3.4
335.18570	3.6
335.22305	47.2
361.36243	2.5
500.15060	3.0
512.59589	2.8
701.33966	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	745.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
71.01369	59.4
85.02937	17.3
88.40008	6.3
89.02442	75.8
90.08034	7.1
92.20005	13.3
101.02438	59.8
113.02435	29.0
119.03461	35.0
125.02411	34.7
139.04022	8.0
142.13936	7.5
150.03233	8.6
179.05621	14.1
181.04977	28.3
181.77589	7.0
195.06595	44.1
210.78175	7.8
235.99646	7.1
239.11458	7.5
284.26535	7.6
323.09799	74.2
391.13983	47.1
406.16306	50.5
421.18719	48.8
523.21875	15.4
660.74457	7.9
705.06958	8.2
745.28412	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94932	1.7
57.58882	1.4
59.01379	100.0
59.06373	1.6
62.26229	1.7
112.98048	1.7
116.92789	2.6
123.21419	1.9
156.72833	1.9
165.01949	2.8
169.03078	2.0
174.82814	1.7
178.02809	3.7
180.86522	2.1
192.04341	3.5
193.05034	1.6
194.73567	1.7
195.06619	3.8
321.93341	1.9
339.08685	10.2
519.18536	2.3
637.23047	21.3
697.25275	41.7
701.33185	3.7
745.27850	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	745.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54743	1.6
59.01376	100.0
64.64802	1.4
66.50717	1.5
83.61021	1.5
92.19924	3.3
93.58669	1.9
95.47540	1.6
99.92584	3.6
100.93351	24.3
113.02437	1.8
115.92065	27.8
165.01884	16.2
166.02647	4.2
179.03508	2.2
180.04274	34.5
181.05061	9.5
192.04173	1.8
194.05833	3.7
195.06616	44.1
205.08638	2.3
207.06638	2.1
210.05350	6.7
221.08191	3.8
225.07704	23.1
259.42133	1.6
267.08774	18.2
387.14523	9.7
399.14651	2.3
441.15790	2.9
447.16605	3.5
477.17673	2.9
501.17575	8.5
542.76807	1.8
655.23676	3.9
667.23639	10.0
683.93164	1.8
685.31433	2.3
701.33405	3.7
727.25970	5.8
745.26904	8.9
763.54047	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	745.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29637	2.5
57.51455	2.0
58.00683	2.0
59.01370	4.9
71.01375	3.7
86.12363	2.0
87.00883	2.6
89.02458	2.4
99.90460	2.2
113.02422	4.2
119.58331	2.3
122.03715	3.8
135.04448	2.8
136.01624	4.3
149.02371	8.1
150.03227	48.0
151.04013	29.3
165.05553	100.0
166.02687	11.9
167.03485	3.3
181.04977	16.7
190.06342	12.2
195.06693	18.5
196.34807	2.4
203.08316	2.6
214.89273	2.4
280.18823	2.2
354.11176	2.3
356.12827	3.1
357.09811	2.8
372.12439	2.3
387.14328	16.9
535.19714	20.5
583.21924	66.3
745.29028	12.3
757.77295	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	745.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83648	3.1
53.89734	3.0
59.01378	37.4
66.27863	3.7
71.01383	16.4
72.08054	3.5
75.47563	3.1
82.84672	3.9
87.00867	5.1
89.02437	21.8
97.79547	3.3
101.02432	17.6
101.60255	4.1
108.90711	4.5
113.02438	15.7
145.02968	5.5
151.04051	4.7
162.03194	25.7
163.04016	17.6
164.04758	8.1
165.05562	17.8
166.06374	14.0
177.05501	38.5
179.07130	23.0
180.07898	16.3
195.06563	13.4
225.07713	93.6
247.01257	3.8
248.92747	4.2
284.10657	6.0
429.87567	4.3
476.99567	4.0
487.24500	4.6
583.20441	45.6
745.25446	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	745.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41070	0.6
59.01365	4.1
63.78769	0.7
71.01375	5.2
73.02912	0.8
75.00851	3.7
75.33835	0.7
78.46201	0.6
85.02925	3.4
86.92830	0.7
87.00867	0.8
89.02480	1.2
95.01284	0.9
96.95958	1.1
99.00845	1.2
101.02473	1.1
106.91145	0.7
109.14488	0.6
113.02422	5.5
123.00887	0.8
124.01595	1.0
132.04784	0.6
138.03242	5.3
139.03969	2.8
153.05539	5.7
164.07149	0.9
166.99788	1.7
168.00612	4.8
178.74443	0.8
182.02202	47.3
183.02980	9.6
194.05907	1.7
196.03688	0.8
196.85825	0.7
197.04553	100.0
211.06041	3.8
237.05923	0.7
366.17978	0.7
407.13422	3.9
431.11087	0.8
544.95917	0.7
635.14178	0.8
745.21912	36.1
750.60370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.366
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10777	1.2
61.60349	1.4
68.16927	1.4
72.71307	1.6
75.62757	1.4
84.19483	1.6
88.89804	1.4
91.05513	10.1
93.03442	2.5
96.04526	1.9
96.08173	1.7
96.50520	1.6
108.04557	2.1
117.92031	1.7
118.06611	39.7
119.05033	2.6
125.06586	1.6
131.05051	11.9
147.04500	10.9
149.06036	9.0
156.08208	1.9
158.09732	9.9
164.07127	6.4
173.06104	2.6
200.10805	3.4
212.14462	2.4
219.14902	1.6
223.07854	2.0
237.09126	6.1
244.09921	3.1
245.10507	1.7
249.09213	42.6
255.18744	2.9
261.09177	6.4
267.10269	42.8
279.10303	29.0
297.11377	7.0
324.03659	1.8
391.88431	1.7
446.24509	100.0
452.81406	1.8
464.25558	1.8
503.29495	1.8
531.80835	1.8
744.37000	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	744.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61304	0.2
57.04521	0.2
57.11681	0.2
60.83680	0.2
67.36697	0.2
87.00867	1.1
92.67307	0.2
106.04257	0.2
107.05022	6.4
121.02948	1.2
125.88289	0.2
133.06566	3.5
135.04547	1.1
149.06062	16.6
151.03989	0.3
177.05562	19.3
179.03487	40.4
183.08356	0.2
195.06625	3.6
221.04555	1.9
229.31389	0.2
239.05606	100.0
250.10800	1.0
294.05258	0.3
449.57013	0.2
504.18805	9.3
626.29901	0.2
635.09247	0.3
744.25317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77761	0.5
57.28001	0.4
59.01379	0.7
61.98829	100.0
64.03395	0.4
65.72820	0.6
74.01363	0.5
84.90536	0.5
88.87685	0.6
92.19469	0.6
130.44145	0.6
137.56068	0.6
151.03931	0.8
159.16830	0.6
225.91025	0.6
247.71568	0.6
250.85941	0.5
329.93289	0.7
421.17667	0.6
472.12756	0.7
521.36865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02457	0.4
54.29000	0.3
54.45662	0.3
59.01367	0.4
66.08282	0.3
67.05090	0.3
68.32542	0.4
71.01367	0.4
75.83217	0.4
78.95900	1.6
79.95741	2.0
96.95998	100.0
96.96990	3.7
101.02407	0.4
130.48096	0.3
133.86574	0.4
332.08795	0.6
347.11346	0.8
714.23462	0.9
731.40497	0.6
744.21381	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	743.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95183	2.1
56.08544	1.9
57.03441	2.2
59.01379	39.1
64.77534	2.1
66.86063	2.1
71.01369	23.4
72.99300	2.2
73.02935	9.3
73.84518	2.2
75.00859	29.8
85.02943	29.9
86.61425	2.2
87.00879	5.0
89.02438	8.6
95.01376	4.4
97.11318	1.9
99.00867	11.5
101.02429	13.9
101.90930	2.1
113.02441	43.2
117.01898	2.7
132.64877	2.2
161.04552	3.0
162.07310	2.0
284.88474	2.6
301.12946	2.2
328.08508	2.4
473.69287	2.2
613.28021	2.3
699.32324	100.0
743.31268	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	743.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	5.0
67.58967	3.4
71.01396	3.8
73.72127	3.0
82.16749	3.1
82.81405	3.5
83.39011	2.8
94.83652	3.5
139.96420	3.3
162.06898	4.5
163.03996	5.0
164.26826	3.6
172.05225	13.6
175.07619	15.8
183.65071	3.5
187.07626	100.0
190.06349	14.5
193.95380	3.6
204.07895	5.2
205.08710	48.7
205.14824	3.5
299.12766	6.9
311.12918	13.5
323.13120	5.3
329.13956	58.0
341.13992	49.8
359.15027	13.7
428.86359	3.6
495.47586	3.2
503.19412	31.2
521.20331	82.6
664.18970	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	743.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14932	6.3
53.75442	6.4
59.01391	66.2
61.69817	7.3
65.47469	6.4
71.01402	8.3
78.91360	7.0
80.91723	7.2
81.44863	7.3
85.02920	13.4
86.54607	7.1
97.45269	7.4
101.12670	7.5
104.06906	8.6
105.40500	8.8
113.02412	15.2
124.53796	7.4
128.03313	8.8
133.91843	8.1
147.14243	8.6
153.05515	33.3
163.62282	8.6
176.01172	8.4
181.16177	8.9
191.03459	14.0
193.01434	12.9
193.05049	13.6
207.06625	45.5
208.03821	58.5
223.06165	33.5
319.22769	33.4
424.96863	10.3
595.38995	9.3
699.31226	55.8
725.24377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	41.2
66.38536	0.9
71.01364	29.1
71.02438	0.9
73.06273	1.0
76.63674	0.9
77.60190	1.0
85.02944	1.3
87.00874	2.4
89.02428	76.0
101.02425	30.1
106.83260	1.0
107.85483	1.0
113.02431	20.5
115.10707	1.0
119.03480	43.3
131.03484	2.0
143.03506	8.0
149.04547	2.0
161.04536	7.9
179.04062	2.0
179.05565	26.2
292.80426	1.4
341.10873	100.0
401.13062	45.8
683.22418	1.9
691.36804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96431	1.0
59.01374	4.9
60.04200	1.2
71.01361	1.3
74.00322	1.3
85.02934	1.1
89.02473	1.6
92.19895	1.5
97.47647	1.2
119.03436	1.5
122.53470	1.2
149.02356	10.1
152.01120	1.8
162.03192	2.9
163.03961	1.3
164.04787	23.8
177.05544	2.2
178.06273	2.3
179.07153	12.7
187.07631	7.7
193.01414	4.6
205.08685	1.6
208.03770	73.8
223.06113	100.0
329.13901	18.3
341.13824	2.6
359.15018	1.9
383.11395	1.6
519.26489	1.1
521.20105	10.4
578.37738	1.6
581.18945	17.2
585.55475	1.2
637.01825	1.3
743.24341	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	743.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72439	0.6
59.01378	4.6
63.85928	0.6
68.90852	0.7
70.64561	0.6
71.01022	0.7
71.01379	4.6
76.40249	0.7
80.10086	0.6
85.02953	0.7
89.02415	5.1
101.02438	4.4
108.02174	15.0
113.02438	2.9
119.03462	1.1
123.04507	15.4
131.03488	1.1
138.41516	0.7
152.01141	44.0
161.04568	0.9
166.02681	0.8
167.03491	100.0
598.35962	0.7
683.21893	5.7
701.23004	9.5
743.23413	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	743.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
61.58656	0.3
71.01376	2.5
73.02953	0.8
85.02958	0.7
89.02431	1.7
89.37897	0.4
91.42404	0.5
92.19260	0.5
101.02428	2.3
108.02160	17.2
113.02437	2.4
118.72799	0.5
123.04512	19.0
131.03479	0.6
152.01143	60.0
153.71504	0.4
161.04532	0.5
166.02681	0.4
166.72928	0.4
167.03487	100.0
174.04581	0.5
181.05008	0.7
182.22517	0.4
209.08154	0.9
221.06621	1.9
263.07614	0.6
333.42349	0.4
456.02142	0.5
581.17932	0.5
743.24072	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88914	1.5
57.46708	1.5
59.01382	4.7
66.76176	1.5
68.49938	1.6
71.01366	4.0
85.02922	1.9
89.02417	4.3
91.16255	1.8
101.02401	3.2
113.02368	2.0
134.53026	2.0
149.02426	12.7
152.01096	2.8
162.03223	9.2
164.04793	26.1
177.05569	10.2
179.07146	11.8
193.01430	7.5
208.03763	76.5
209.04602	2.1
219.62054	2.2
223.06128	100.0
453.93204	2.2
581.18744	20.0
632.91003	2.1
743.24176	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	743.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80825	1.7
56.54655	1.4
59.01388	1.8
60.48116	1.2
70.28262	1.4
81.03455	3.2
83.01385	3.6
85.02922	2.8
91.23816	1.6
96.80029	1.7
97.02914	2.2
121.02914	2.5
123.04508	24.7
125.02435	15.3
137.02411	3.5
137.06097	3.4
139.03952	1.8
144.68723	1.4
147.04584	1.6
151.04019	1.6
163.04036	3.3
165.05553	9.6
167.03487	47.4
177.01884	1.8
177.05573	3.3
179.03491	7.6
179.07155	1.6
181.05057	5.7
189.05534	2.6
191.03484	3.0
195.02969	1.5
205.04939	1.6
206.02261	1.8
207.06548	6.3
209.04553	100.0
221.04547	3.5
223.06078	8.5
233.04541	3.5
235.06108	1.5
237.07701	1.5
239.05602	66.3
251.05597	30.5
263.05524	6.0
275.05496	2.6
281.06647	30.6
293.06546	2.7
295.08344	1.7
299.07623	5.8
305.06711	2.7
311.07797	2.9
319.29416	1.7
323.07730	7.3
341.08865	7.2
371.07681	18.6
401.09000	7.7
443.10196	2.0
461.10919	27.0
473.10934	8.1
503.12274	2.3
545.12799	1.9
563.14087	8.4
581.17456	2.5
595.08362	1.6
653.16815	10.2
725.18719	2.0
743.20343	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	743.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03437	3.0
83.01389	2.9
83.75023	1.7
85.02928	2.5
85.60782	1.8
91.69913	2.1
96.95997	3.2
98.03682	2.4
102.48824	2.2
102.84452	2.2
123.04513	12.9
125.02412	17.8
139.03966	8.5
139.33359	2.3
151.04008	2.5
153.05569	4.0
163.04077	2.7
165.05547	3.8
167.03485	48.7
179.03506	12.4
181.04980	2.6
197.04547	13.1
209.04544	100.0
209.07581	2.7
221.04471	4.0
230.07199	2.4
239.05609	83.0
269.06674	28.1
281.06729	3.0
299.07739	4.2
492.87183	2.4
533.12897	12.6
563.13684	4.9
575.05853	2.7
623.15973	13.4
635.76733	2.6
639.00568	2.5
653.17371	11.8
743.20355	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60287	0.5
58.57481	0.5
63.77275	0.6
64.87449	0.6
66.06900	0.5
87.00871	2.3
90.79646	0.6
92.19383	0.9
96.96001	17.2
98.42211	0.6
107.05020	9.9
114.36970	0.6
121.02943	0.8
133.06602	4.6
135.04503	1.1
140.76056	0.6
149.06064	21.8
161.02457	1.0
177.05550	26.0
179.03488	49.4
192.04211	0.7
193.05110	0.6
195.06628	4.9
221.04449	2.3
223.04613	0.8
239.05611	100.0
274.07260	0.6
714.79254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
71.01366	2.3
71.68052	1.5
87.00859	13.6
96.96004	1.6
101.02403	2.0
120.39761	1.4
128.03439	1.8
141.06714	1.7
149.06070	1.7
161.02422	2.6
167.04692	2.2
176.04688	2.8
177.05582	2.2
178.06342	8.8
179.07140	6.5
181.05093	6.0
185.05719	2.4
191.07172	1.8
193.08658	2.5
206.05835	2.8
209.08208	3.7
233.42931	1.5
236.06921	1.6
245.28369	1.4
247.05936	2.4
248.63403	1.8
249.07642	2.7
251.09218	2.9
262.04950	2.8
265.07187	31.1
277.07156	22.4
295.08328	13.3
341.08737	6.6
380.59290	1.6
383.09686	1.5
401.10873	100.0
425.97318	1.5
743.36633	11.0
755.70313	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	743.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00064	0.6
56.54864	0.6
58.26997	0.5
59.44521	0.5
61.35308	0.5
68.06077	0.5
73.02945	1.0
74.18313	0.5
84.80608	0.5
85.02922	2.6
87.00863	28.1
92.19987	0.7
99.00859	0.7
101.02435	1.3
113.02419	1.3
125.81113	0.7
131.03493	1.3
153.05560	0.8
154.67226	0.7
161.02429	4.0
164.04724	0.9
166.02669	1.3
179.03481	2.9
179.07123	27.1
181.05038	7.5
189.40562	0.7
193.05138	1.2
194.05856	4.0
202.06447	0.7
204.21899	0.6
207.06569	2.6
209.08182	20.7
237.07632	3.8
249.07632	1.4
250.04430	0.6
261.07721	3.1
265.07175	94.2
279.08685	1.4
291.08432	0.7
325.09305	6.5
341.08664	3.5
401.10886	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	741.3191
Annotation	Patellamide A
Peak:m/z	Relative Intensity
59.01377	31.3
66.72287	1.2
68.74845	1.0
69.53889	1.1
69.57147	1.1
71.01375	34.6
71.68421	1.2
73.02928	6.3
80.78675	1.1
81.39287	1.1
83.01380	2.6
85.02933	6.7
87.00832	4.2
89.02433	45.3
95.01364	1.3
97.02906	2.2
99.00854	2.4
101.02436	41.2
113.02430	24.5
114.92250	1.2
119.02724	1.3
119.03503	19.7
125.02409	5.3
131.03497	12.9
143.03470	5.3
161.04529	20.4
161.30864	1.2
166.63190	1.5
175.14897	17.6
179.05559	8.3
207.13922	2.1
221.06668	17.2
263.07635	1.9
323.10156	1.5
375.70868	1.2
406.78043	1.2
417.21210	1.5
483.60461	1.3
676.22083	1.4
741.31964	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	741.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	6.3
67.20998	2.7
71.01364	6.7
73.77464	3.2
96.95951	5.1
101.02425	4.6
106.07541	3.0
113.02390	4.8
113.59130	3.5
137.64421	3.5
143.00548	3.4
262.91843	3.6
287.20139	69.5
301.02359	3.6
331.19138	27.9
490.61423	3.7
697.30701	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	741.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	39.9
64.02526	4.1
71.01368	39.0
73.02948	18.3
84.95412	3.9
85.02950	9.1
89.02430	45.5
96.95985	4.1
101.02439	43.1
113.02425	28.7
119.03519	8.3
131.03499	22.3
143.03452	4.6
159.02943	5.7
161.04576	27.8
176.07356	4.8
216.06276	4.3
221.06627	26.0
258.18570	4.0
263.07745	5.4
313.18091	20.7
697.30865	100.0
705.69763	4.7
744.39722	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	741.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.8
59.01383	19.8
71.01365	12.9
71.26740	2.1
75.00863	22.1
85.02931	23.9
87.00871	4.9
89.02445	3.1
93.75794	2.2
99.00862	10.5
101.02438	3.3
104.50316	2.2
108.69399	2.6
113.02431	36.6
130.08751	11.0
139.66931	2.2
147.50018	3.2
183.61337	2.4
190.05716	2.5
221.35597	2.4
237.18681	2.7
245.09232	5.7
287.20233	11.6
299.20349	2.9
317.21185	23.2
327.20065	2.9
351.58603	2.4
365.53415	2.4
461.25687	4.9
479.26370	9.4
575.68585	2.7
697.30298	100.0
738.62695	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	741.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	82.0
62.03573	3.2
69.03465	3.7
71.01366	77.2
73.02932	25.9
81.03443	3.6
83.01397	3.9
83.14822	3.0
85.02935	31.8
87.00843	4.4
89.02421	69.8
92.20046	3.3
95.01357	5.0
96.95995	4.2
97.02924	13.0
99.00867	7.5
101.02435	100.0
111.00851	5.1
113.02430	49.2
119.03463	25.4
125.02404	18.5
131.03413	4.3
131.07104	23.8
143.03499	6.3
150.03206	4.4
161.04533	27.7
165.05602	5.9
166.02713	4.7
176.51627	3.7
179.05603	5.7
181.05029	17.6
221.06656	13.2
245.06586	5.4
327.12393	4.0
342.07474	4.1
417.15549	8.2
633.17432	4.1
637.27362	61.3
655.28253	42.7
697.18555	5.3
697.29346	74.5
741.24915	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	741.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36962	0.3
53.75703	0.3
56.98318	0.3
59.58834	0.3
76.12902	0.3
95.18053	0.4
96.02518	0.3
123.04478	1.3
135.04500	3.4
143.51698	0.4
159.77179	0.4
167.53516	0.3
210.87807	0.3
249.12445	100.0
329.08832	1.9
368.61499	0.4
411.17731	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	741.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.2
59.01379	37.2
64.67715	1.2
71.01373	40.2
72.41691	1.2
73.02943	8.1
73.09140	1.3
85.02921	12.8
87.00852	5.9
89.02430	44.2
96.95995	3.2
97.02907	2.4
99.00864	2.8
101.02430	45.5
113.02446	22.9
119.03491	14.6
125.02416	9.5
131.03503	6.0
143.03505	8.4
161.04523	15.1
179.05550	7.0
195.10225	2.0
221.06691	11.2
245.06718	3.1
292.56519	1.5
323.09735	2.0
681.26166	100.0
682.52686	1.6
697.23901	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31155	50.9
66.94051	49.3
80.94141	53.0
166.02786	79.2
181.05066	100.0
203.03481	69.1
447.12933	76.3
480.10495	70.4
681.21899	89.0
704.34259	65.2
763.38837	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11049	2.1
54.30866	1.9
56.12495	1.8
59.01375	100.0
60.25259	1.9
69.03459	3.8
71.00983	3.4
71.01372	75.9
73.02932	9.5
80.58013	2.2
81.03440	2.4
83.01357	4.7
85.02925	15.1
87.00847	4.2
89.02424	75.5
95.01384	2.9
97.02936	10.5
99.00874	2.7
101.02425	55.3
113.02421	32.6
119.03466	31.8
125.02415	31.0
131.03447	3.1
137.02463	2.9
143.03471	9.3
151.00348	3.0
156.71555	2.2
161.04559	12.7
166.02678	39.6
179.05612	19.8
181.05054	80.0
208.03734	2.4
221.06577	19.8
263.07721	9.4
279.95255	2.3
323.06146	3.7
323.09833	80.1
387.10840	18.9
402.13104	10.3
417.15637	20.9
514.69489	2.4
680.13458	2.6
693.03088	2.6
741.26086	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	740.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27729	0.4
57.77654	0.3
58.53185	0.3
59.01365	0.5
61.98829	100.0
89.02422	0.4
92.19289	0.6
167.10750	0.4
232.43263	0.4
297.21884	0.4
327.20154	0.4
393.04062	0.4
680.50171	0.7
740.49371	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	741.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34008	2.9
64.93553	3.2
71.01344	3.4
75.29547	3.1
86.22932	3.2
87.00874	26.2
88.41255	3.3
92.13089	3.3
103.99629	3.4
115.00330	20.7
121.04044	79.8
122.02461	21.4
129.01936	4.8
149.07176	5.5
161.02415	24.8
175.05125	14.4
179.03447	32.8
186.07234	3.4
193.06117	25.1
224.82133	4.1
237.05092	100.0
258.93832	3.3
260.23453	4.0
321.30023	3.5
341.08624	23.5
363.93573	3.4
503.14136	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24365	4.3
61.98825	100.0
79.10939	4.1
91.23512	3.9
108.56805	4.9
173.19710	4.0
182.91779	5.0
261.22559	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	740.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18634	0.6
59.01376	0.6
59.30983	0.6
70.51311	0.7
81.02257	0.8
85.02506	0.7
85.02936	6.1
87.00877	3.0
103.49240	0.6
107.05005	12.6
108.72154	0.7
111.00857	3.0
121.02925	0.7
129.01906	2.6
133.06567	5.8
135.04507	1.1
149.06067	22.1
156.84988	0.9
177.05557	26.2
179.03488	54.9
195.06593	4.4
205.03555	4.5
206.03821	0.8
221.04514	1.7
223.04564	10.9
224.04907	3.3
239.05600	100.0
240.05597	0.9
308.45557	0.8
369.08179	3.3
370.08517	3.1
390.95734	0.8
460.48608	0.7
696.25714	0.8
729.52710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.0
67.54349	1.1
71.01360	6.1
73.94020	1.2
85.02917	1.6
89.02388	2.4
101.02439	5.8
113.02419	5.8
137.34743	1.3
146.17790	1.3
176.42674	1.6
202.29219	1.4
216.45956	1.3
259.61957	1.2
266.79913	1.5
388.46512	1.4
407.29599	5.7
425.30325	1.6
451.28452	19.3
469.29608	28.7
487.30643	30.2
499.30347	8.9
511.30417	2.1
517.31702	100.0
529.31677	2.6
649.35919	14.2
679.37036	6.2
695.35175	15.4
739.39606	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	739.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53405	0.8
59.01374	100.0
69.60017	0.9
71.01363	12.3
73.02920	6.8
76.37840	0.8
83.01366	1.6
85.02921	6.5
87.00851	1.0
87.54259	0.9
89.02432	4.8
99.00874	1.9
101.02428	19.5
102.98570	1.1
113.02397	10.2
117.59917	0.8
119.03469	1.4
139.43771	0.9
161.04535	9.4
222.66878	0.9
231.01154	1.9
235.11835	29.8
277.12900	38.6
311.87463	0.8
353.09366	1.0
361.63455	1.0
365.42020	1.0
373.14972	3.7
385.07382	1.8
417.21399	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	739.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.33862	0.6
62.88827	0.6
63.82983	0.6
65.56483	0.7
71.01369	10.9
73.02926	4.6
83.01369	1.2
85.02928	7.3
89.02414	1.4
95.01392	0.9
96.95990	3.5
99.00854	1.3
101.02427	14.4
113.02428	8.8
159.02974	1.1
161.04520	4.2
228.09152	0.7
248.35715	0.7
271.83575	0.7
277.16516	6.9
289.16504	4.4
319.17648	10.3
331.17615	11.5
670.80579	0.9
742.13470	0.7
760.96869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.01367	11.6
73.02933	6.2
83.01377	1.5
85.02966	1.9
92.19942	1.7
101.02425	15.5
103.88192	1.4
113.02422	8.4
115.90211	1.5
116.39214	1.5
142.46916	1.5
159.02917	2.0
159.29160	1.4
161.04559	6.8
168.01620	1.7
244.09744	1.7
283.11749	9.1
292.03998	1.6
325.12848	20.4
495.74924	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	739.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96398	1.0
59.01376	100.0
69.03468	1.0
71.01369	21.8
73.02938	46.2
78.80486	1.1
83.01363	7.1
84.43610	1.1
85.02940	2.6
89.02447	9.0
92.95451	1.2
95.01379	1.2
99.00866	1.7
101.02428	38.7
102.98582	5.5
104.35363	1.1
106.42982	1.1
113.02432	13.1
119.03480	6.6
127.23933	1.1
133.02939	5.0
134.03696	2.0
143.03516	1.7
145.96159	1.1
149.04507	6.6
161.02402	1.7
161.04520	13.6
163.00674	1.6
177.01880	2.8
178.02713	5.8
179.03453	2.5
193.05042	6.8
195.01198	2.6
203.03708	1.5
203.05765	2.2
221.06616	9.1
234.23695	1.3
283.12082	1.7
325.12833	7.5
328.52002	1.4
369.09634	5.0
381.12958	1.4
440.90378	1.4
494.39099	1.4
695.16626	2.5
695.28607	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.5
62.91246	0.9
62.96100	1.1
71.01389	2.5
77.11871	0.8
85.02956	5.9
87.00865	1.4
89.02454	3.9
96.95994	5.6
101.02427	4.3
101.57858	0.9
111.00842	1.3
117.03438	1.6
119.03551	1.4
129.01973	1.7
134.03726	37.8
136.19786	1.1
149.06042	13.0
160.01602	9.5
175.03984	56.8
178.02762	4.3
193.05038	97.4
223.04692	2.0
223.49199	1.0
235.06128	4.7
354.62488	1.1
369.08258	6.7
387.78952	1.1
517.15625	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	739.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.5
62.91246	0.9
62.96100	1.1
71.01389	2.5
77.11871	0.8
85.02956	5.9
87.00865	1.4
89.02454	3.9
96.95994	5.6
101.02427	4.3
101.57858	0.9
111.00842	1.3
117.03438	1.6
119.03551	1.4
129.01973	1.7
134.03726	37.8
136.19786	1.1
149.06042	13.0
160.01602	9.5
175.03984	56.8
178.02762	4.3
193.05038	97.4
223.04692	2.0
223.49199	1.0
235.06128	4.7
354.62488	1.1
369.08258	6.7
387.78952	1.1
517.15625	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	739.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08007	0.4
55.50934	0.4
59.01364	3.2
62.38999	0.5
73.02946	0.6
89.02428	3.1
92.19913	0.6
96.96001	1.0
101.02419	2.9
113.02415	2.0
119.03478	1.0
151.00356	2.6
152.01112	1.0
166.06026	0.5
167.03499	0.9
221.06624	0.8
221.13115	0.5
227.03510	8.7
255.03000	27.5
256.03772	4.0
257.04410	1.1
284.03265	100.0
285.04077	8.5
301.38553	0.5
599.98914	0.5
739.20929	46.3
739.31921	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
59.01373	19.1
66.58953	1.2
69.03404	1.3
71.01378	22.2
72.99294	6.1
73.02926	14.0
74.02454	2.0
75.00859	17.8
83.01370	5.4
85.02940	29.0
87.00857	6.5
89.02442	5.1
92.20084	2.1
95.01365	6.6
97.02925	1.9
99.00860	10.8
101.02440	9.4
103.00348	2.2
106.04229	1.6
111.00854	1.3
113.02428	29.8
123.38380	1.2
131.03497	2.4
133.06575	1.5
147.08118	2.0
173.04517	6.9
173.06067	5.5
175.02478	1.6
193.03563	2.5
203.08247	1.8
221.08038	1.3
225.09331	1.7
235.04510	5.3
237.09142	1.8
245.09326	2.7
251.17683	1.3
279.10184	6.7
285.11298	1.2
294.44833	1.5
297.11295	72.3
375.32013	1.6
439.12292	1.4
469.15790	1.2
519.19250	1.8
695.21906	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	739.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.03445	15.4
71.01370	2.0
75.28562	1.2
83.01399	4.1
85.02937	100.0
92.20129	1.1
97.30799	1.0
101.02424	6.5
111.00867	32.0
119.05000	4.2
129.01920	35.8
138.04977	1.1
145.02866	1.6
161.04555	1.3
163.03992	13.7
195.75768	1.3
205.03526	23.7
214.19598	1.3
223.04596	34.7
223.52592	1.2
330.95435	1.1
369.08255	76.4
524.94409	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	739.1886
Annotation	Kaempferol 3- [ 6'''-p-coumarylglucosyl- (1->2) -rhamnoside ]
Peak:m/z	Relative Intensity
52.10666	0.6
53.71217	0.5
57.52546	0.5
59.01366	1.3
62.28002	0.8
66.22903	0.6
69.69418	0.6
83.43246	0.7
89.02451	0.8
99.04842	0.6
101.02409	1.0
113.02415	0.8
118.03549	0.7
130.08331	0.7
145.02951	4.7
151.00386	4.8
227.03474	8.0
255.02975	25.5
256.03745	4.4
257.04578	2.5
283.02469	3.4
284.03253	100.0
285.04062	20.9
309.03970	0.8
413.08844	1.0
593.15082	7.0
739.18817	46.4
739.32007	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	739.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.3
57.03447	17.5
58.93858	1.4
59.01391	1.6
61.83842	1.2
67.45616	1.1
71.01382	2.3
83.01366	2.0
85.02936	100.0
89.57821	1.4
92.19888	1.4
101.02425	2.3
103.67859	1.5
110.69597	1.5
111.00128	2.2
111.00858	34.9
119.04993	6.0
119.26336	1.5
129.01918	32.2
147.02980	1.9
154.39806	1.5
161.04562	2.3
163.04022	8.9
179.03453	1.7
187.02412	2.7
205.03526	45.8
223.04596	76.1
239.05624	3.0
274.53943	1.5
352.40778	1.6
369.08246	72.6
381.55756	1.6
472.56967	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	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07978	2.9
58.40684	2.5
61.98827	100.0
66.62698	2.5
89.81658	2.6
117.88405	3.8
122.18263	3.0
152.20183	3.0
157.72076	3.1
209.37286	3.3
232.74547	3.2
249.28917	3.1
278.10004	3.7
287.88544	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	738.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38201	0.5
59.01381	1.1
61.98830	100.0
69.36501	0.5
71.01363	1.0
89.02409	0.8
92.19257	0.9
101.02480	0.7
116.29218	0.7
143.06361	0.6
201.03253	0.6
247.11429	0.6
277.21832	0.8
278.22101	1.0
288.65692	0.5
354.35391	0.6
375.03891	0.6
397.13400	0.7
398.13779	0.9
399.14087	1.3
400.14362	1.2
539.81610	0.7
678.36432	1.1
738.35278	0.8
740.00818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.5
65.84090	0.7
71.01369	0.8
82.33674	0.6
84.11258	0.5
89.02427	0.8
90.08192	0.5
95.05005	0.7
96.96016	4.7
101.02441	2.2
112.07672	11.4
113.02418	1.2
113.06053	3.3
129.10313	6.5
130.07788	0.9
130.08734	19.8
143.04601	1.0
144.50941	0.5
159.94156	0.6
207.15027	6.4
224.17659	4.9
225.13879	1.3
225.16080	33.1
265.58139	0.7
307.07819	0.7
320.23389	3.6
337.26050	5.2
338.24530	7.1
347.26547	0.6
377.64914	0.7
433.31769	4.5
450.34299	4.2
451.33182	2.7
514.97260	0.6
546.39978	0.8
563.42670	3.3
650.62689	0.8
659.48572	5.9
677.49725	100.0
737.33441	0.8
737.51868	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	737.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	1.7
59.01379	39.1
63.72025	0.9
71.01372	22.1
73.02941	2.6
83.01368	1.8
85.02951	1.7
87.00872	5.7
89.02438	26.6
92.19339	2.3
94.56517	1.1
97.02950	4.4
99.00858	1.3
101.02435	23.7
113.02435	11.2
119.03498	7.0
125.02422	4.7
143.03487	1.7
143.30916	1.1
151.87268	1.0
161.04515	2.3
165.80309	1.2
192.37041	1.0
235.08263	5.8
278.63721	1.2
279.23303	100.0
286.85049	1.3
305.08740	2.3
397.13519	69.2
397.18695	2.5
413.16202	1.2
415.14597	17.9
677.37598	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	47.9
130.80925	11.2
155.10370	10.3
179.10759	100.0
223.09782	65.4
304.31097	10.5
441.20322	14.7
499.33371	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	737.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	31.4
61.48905	1.4
66.44941	1.5
71.01376	19.2
73.02943	1.8
75.90409	1.7
83.01402	1.5
85.02947	2.9
87.00863	3.0
89.02436	26.2
95.01334	2.3
97.02960	1.8
101.02433	21.5
110.99859	1.8
113.02417	10.5
119.03468	6.2
125.02417	7.9
155.03583	1.5
161.04509	2.5
235.08221	8.0
279.23270	100.0
384.89471	1.7
397.08496	3.1
397.13495	67.9
415.14563	17.4
449.31506	2.0
650.26770	1.9
677.37604	33.5
680.09528	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	737.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62441	1.0
59.01377	100.0
63.22104	1.2
66.81578	1.2
71.01374	17.7
73.02934	33.2
83.01398	4.9
84.06307	1.2
85.02937	6.5
87.00920	1.2
89.02420	8.8
92.19379	2.1
99.00803	1.6
101.02422	34.1
110.90681	1.1
113.02428	12.8
119.03483	1.9
121.77276	1.2
149.04575	1.9
161.04529	7.0
215.15437	1.6
221.06516	4.6
256.22162	1.3
269.92587	1.3
277.16516	6.8
294.48135	1.2
310.27866	1.4
319.17642	12.9
324.08707	1.1
693.31079	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	737.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42831	2.2
54.29018	2.0
56.66874	1.7
59.01375	52.5
60.80584	2.1
66.72701	2.1
71.01370	26.7
73.02930	9.4
77.33466	2.1
83.01371	8.1
85.02926	10.8
89.02446	12.3
92.19424	3.8
96.96004	20.6
99.00840	3.4
101.02428	28.2
113.02419	17.2
123.04492	9.0
125.02464	2.4
127.26736	2.2
145.08717	3.2
153.70827	2.0
164.03505	4.1
178.05043	7.4
192.06714	2.4
197.12914	4.0
276.65091	2.2
289.29764	2.5
306.15933	18.1
315.30624	2.0
321.18198	30.8
347.15921	11.7
377.89868	2.2
390.03046	2.3
543.64520	2.0
693.33478	100.0
737.30090	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	737.3145
Annotation	Damalachawin
Peak:m/z	Relative Intensity
52.80104	0.8
56.50403	0.8
59.01375	5.1
63.38568	1.0
66.65297	0.9
69.48997	0.9
70.06147	0.8
71.01373	4.0
73.05946	0.9
85.23434	1.2
89.02409	4.3
92.19966	2.2
100.00355	1.3
101.02412	2.1
108.02139	7.4
113.02423	1.6
123.00879	2.1
123.04513	31.7
128.03525	10.3
136.01666	1.4
136.30379	1.2
136.96169	1.3
139.83620	1.2
148.04001	1.3
161.04480	1.1
164.03534	12.9
166.05035	1.6
167.03447	1.8
170.27586	1.0
177.04279	1.8
178.05067	14.1
189.04730	1.0
192.06648	13.3
197.12952	20.1
197.36597	1.2
198.11290	1.5
215.13945	7.3
218.04601	7.7
241.11961	1.2
303.17056	4.6
305.15005	2.1
306.15863	70.4
321.18210	84.4
332.13742	4.7
346.15311	5.6
347.16129	29.9
365.17010	4.1
422.25104	1.3
448.46100	1.1
557.24872	5.8
575.26147	15.1
737.31378	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	736.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32472	1.2
59.01366	1.9
69.59443	0.9
70.12608	0.9
74.33685	1.2
88.00794	1.1
89.02367	1.1
107.02766	1.1
118.62915	1.1
122.11790	1.3
127.15827	1.1
143.41789	1.2
156.08173	8.8
172.07648	25.1
174.05647	1.9
200.07193	24.1
202.05118	56.0
218.08109	2.3
262.07211	100.0
289.07373	1.3
304.56808	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	736.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32472	1.2
59.01366	1.9
69.59443	0.9
70.12608	0.9
74.33685	1.2
88.00794	1.1
89.02367	1.1
107.02766	1.1
118.62915	1.1
122.11790	1.3
127.15827	1.1
143.41789	1.2
156.08173	8.8
172.07648	25.1
174.05647	1.9
200.07193	24.1
202.05118	56.0
218.08109	2.3
262.07211	100.0
289.07373	1.3
304.56808	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	735.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98272	1.4
59.01375	43.6
71.01369	23.7
73.02935	6.6
79.30920	1.5
83.01369	2.2
85.02946	3.0
87.00868	7.2
89.02432	41.7
97.02917	5.9
99.00868	2.0
101.02422	28.6
113.02419	13.6
119.03429	3.7
125.02395	11.0
143.03505	2.8
161.04541	2.4
221.06540	1.7
235.08229	7.8
253.09285	1.6
277.21692	97.2
310.20676	1.7
330.82242	1.6
397.13486	100.0
415.14590	21.7
444.27658	1.6
675.36041	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83196	1.2
58.04840	1.4
59.01123	1.9
59.01383	31.0
70.71995	1.2
71.01375	24.6
72.99293	2.7
73.02938	11.9
75.00868	15.2
85.02937	22.9
87.00855	8.7
89.02438	5.7
95.01382	5.6
99.00849	11.1
101.02428	14.4
113.02438	26.3
116.91923	1.6
117.01945	1.7
137.40802	1.7
153.80968	1.6
173.04517	3.1
183.10205	5.2
210.82506	1.5
249.18625	2.7
284.12991	1.4
293.21155	10.0
295.22769	3.3
311.22189	4.9
363.68442	1.6
370.39395	1.7
410.04956	1.6
515.28656	2.8
527.10663	1.5
605.30969	2.0
691.31891	100.0
735.35675	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	735.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	41.2
71.01378	24.7
73.02948	3.9
78.32673	2.2
85.02946	4.3
87.00848	4.6
89.02422	36.2
97.02968	7.2
101.02429	23.5
113.02412	14.3
113.77687	2.0
119.03502	4.1
125.02403	11.1
141.01930	2.0
161.04462	2.5
227.41411	2.1
235.08136	9.3
277.21704	93.0
305.08817	2.4
397.13458	100.0
415.14517	31.4
463.73993	2.5
481.76392	2.2
550.99091	2.4
675.36053	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93479	2.5
59.01381	53.6
61.02916	2.7
69.08562	3.1
71.01373	17.3
72.46082	3.1
75.00871	15.8
85.02946	26.3
87.00884	3.7
87.03767	2.8
91.81046	2.9
95.01362	3.3
99.00851	6.1
101.02444	13.7
102.23897	2.9
113.02428	26.5
113.07220	3.0
114.96664	2.8
128.08827	3.0
129.06693	4.1
131.63045	2.9
133.93037	3.3
143.47519	2.9
144.45662	2.9
164.07159	4.3
165.42435	2.8
250.12375	6.4
260.58115	3.3
515.28693	6.3
691.31903	100.0
735.37445	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	735.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94432	0.6
55.01870	1.1
57.03415	1.2
58.53395	0.7
59.01379	25.2
63.97388	0.7
70.31701	0.7
71.01372	33.4
72.99303	1.0
73.02937	9.8
81.03448	1.1
83.01376	5.3
85.02955	15.1
87.00842	3.9
89.02420	18.8
95.01366	1.3
96.96008	1.4
97.02927	1.8
99.00850	6.0
101.02426	38.5
111.00858	2.1
113.02433	17.1
119.03503	7.8
125.02402	6.3
131.03442	3.7
143.03488	3.9
159.02982	3.5
161.04536	9.7
179.05542	1.2
221.06711	4.0
245.06744	1.2
249.14943	4.1
254.72009	1.0
275.11331	1.0
388.66547	0.9
393.19385	1.1
411.20303	3.4
545.87396	1.0
656.27118	1.2
731.06665	1.0
735.30908	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	735.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26133	1.2
55.66882	1.1
59.01374	100.0
71.01372	34.0
73.02927	9.2
74.38087	1.5
83.01392	2.8
85.02935	19.7
87.00882	1.5
89.02430	22.6
95.01368	2.7
97.02918	2.2
99.00874	2.9
101.02425	30.9
111.00855	2.5
113.02438	36.2
118.55321	1.5
119.03473	9.1
119.80630	1.4
124.01638	3.3
125.02426	12.8
125.28362	1.5
374.83539	1.6
456.59409	1.6
527.28381	18.1
545.29706	33.5
563.30762	12.8
587.30743	38.9
605.31879	39.6
647.32764	23.0
691.31610	2.1
768.13287	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	735.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66739	2.4
52.12644	2.7
53.46732	2.2
55.86718	2.7
57.28844	2.6
59.01379	27.6
62.99142	2.4
71.01353	4.5
72.74646	2.7
73.02956	6.7
76.05222	2.5
161.02435	5.6
161.07265	6.0
175.08698	10.8
187.08791	3.7
189.06688	84.0
201.10371	4.6
203.08298	48.4
203.11880	12.7
229.09798	44.7
277.11807	3.5
305.11490	57.8
307.14026	6.8
365.13507	100.0
452.55820	3.5
519.40948	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	735.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.9
62.92513	0.7
65.23871	0.9
71.01376	2.0
71.91775	0.9
74.08551	0.8
75.72123	0.7
87.00892	0.7
89.02421	3.1
89.43882	0.9
96.95992	1.5
98.27531	0.8
98.28174	0.8
101.02418	1.6
113.02422	1.3
119.05006	100.0
122.08542	0.7
163.03996	45.1
163.05319	1.8
166.97435	0.9
294.36734	1.0
305.33026	1.0
325.09299	46.0
341.84244	0.8
687.52380	0.9
691.21790	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	735.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27642	9.9
82.12956	12.3
90.66014	12.5
103.81473	14.3
110.05882	11.9
112.38416	14.4
116.86059	13.1
116.92818	16.1
117.04297	14.8
133.57962	12.7
150.24072	13.2
173.03528	60.0
258.61148	12.9
397.01370	18.3
532.08044	100.0
550.08954	23.0
735.19104	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18767	3.8
59.01371	5.7
61.21837	3.9
67.65884	4.7
71.01389	6.6
96.95996	72.7
98.95564	9.8
98.96495	5.9
99.92563	7.6
100.93341	7.0
106.78887	4.3
113.02393	9.2
115.92090	4.9
116.92863	5.2
125.92859	10.1
130.08757	6.8
173.03569	54.2
175.05074	8.8
178.45604	4.8
190.45021	4.7
206.80807	4.6
233.09488	6.6
244.09991	16.5
335.01187	5.4
336.99054	10.4
367.00186	11.5
373.01883	4.9
397.01328	10.9
418.01361	7.2
481.13159	5.1
532.08282	75.0
535.90228	5.5
549.08521	5.5
550.09216	42.8
620.79651	5.4
637.28088	9.1
669.16589	18.1
699.17487	20.4
717.19196	9.6
734.97858	5.5
735.19507	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	734.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24558	1.2
55.44227	1.2
59.01371	1.7
60.06481	1.2
71.78033	1.3
80.01105	1.5
139.78088	1.3
156.08180	9.1
158.06082	1.6
172.07693	23.3
173.00726	1.6
180.58299	1.5
180.77292	1.4
200.07179	23.7
202.05106	53.0
218.08211	2.5
242.19746	1.5
262.07199	100.0
427.19608	5.5
575.83704	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	735.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.3
60.19071	6.4
82.55202	7.1
87.91253	5.8
96.96026	51.9
96.96537	6.9
98.95586	12.3
116.92865	6.7
119.62598	6.4
133.20078	8.9
143.51015	7.3
167.02454	6.8
167.03882	7.0
171.05223	6.3
173.03548	31.3
367.00497	11.4
368.01215	7.5
532.08020	71.2
550.09290	33.7
588.48792	9.1
699.16766	9.7
735.19830	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	733.293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86408	1.9
59.01381	100.0
67.13640	1.9
71.01373	12.7
73.02951	3.1
73.96430	2.1
75.00887	1.9
77.71928	1.9
78.49323	2.4
83.01396	1.9
85.02944	10.7
89.02468	2.8
96.95985	3.8
99.00843	2.2
101.02428	14.3
113.02419	13.0
119.13995	2.1
129.83870	1.9
136.90619	2.1
151.98961	2.1
155.79918	2.6
252.12151	2.5
525.27008	11.4
543.28119	13.0
585.29095	32.7
603.30298	12.9
631.65466	2.8
645.31476	22.6
731.17938	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	733.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47811	1.3
59.01377	100.0
65.47057	1.2
71.01375	35.6
73.02933	9.6
77.12504	1.3
83.01389	2.7
85.02940	19.0
87.00845	1.8
88.42429	1.4
89.02428	16.2
95.01388	3.2
95.98055	1.6
97.02932	2.3
101.02419	26.3
112.01579	1.5
113.02438	32.7
119.03466	3.3
124.01631	2.1
125.02412	6.7
133.03818	1.4
138.17139	1.3
143.03534	1.7
145.30560	1.5
161.04567	5.2
376.59497	1.8
525.27106	21.3
543.28076	37.9
561.29150	10.1
585.29242	39.4
603.21002	2.5
603.30273	49.4
645.31409	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	733.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
71.01378	40.4
72.99321	1.8
73.02940	13.2
75.00845	7.8
83.01401	2.4
85.02939	20.4
87.00854	4.0
89.02439	21.4
95.01381	3.4
96.96001	22.6
99.00892	2.0
101.02429	24.4
113.02440	41.6
114.32775	1.9
119.03472	3.6
135.41150	1.7
161.04541	2.3
188.94803	1.7
198.23994	2.1
303.47452	1.9
319.96533	1.9
525.26953	19.3
543.27991	24.1
561.29919	2.2
585.29034	37.9
603.30139	19.5
606.29474	1.9
645.31213	8.8
670.64490	2.0
689.30011	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	733.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01129	2.1
59.01377	39.5
59.15067	1.3
71.01375	50.5
73.02938	12.8
80.26469	1.4
83.01366	2.0
85.02953	12.1
87.00859	3.6
89.02435	46.6
95.01363	2.3
97.02937	3.5
99.00876	2.5
101.02428	60.1
113.02441	24.2
119.03483	15.3
119.16293	1.7
125.02406	13.4
127.07964	1.8
131.03487	9.7
143.03529	3.0
147.97090	1.6
156.93280	1.6
161.04561	17.9
179.05559	9.2
210.06104	1.6
221.06718	13.8
243.50024	1.6
245.06778	2.2
383.12109	2.5
409.16968	2.0
733.27673	100.0
739.09607	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	733.254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35419	0.4
54.56409	0.4
54.82117	0.4
55.28994	0.4
57.09422	0.4
57.61663	0.4
57.90169	0.4
58.14611	0.4
59.01375	70.2
66.78756	0.4
71.01372	8.1
73.02939	11.0
73.28437	0.5
73.89915	0.4
79.45151	0.5
83.01361	1.2
85.02899	0.5
87.00814	0.6
89.02422	9.6
90.15311	0.5
93.03438	100.0
95.01357	0.7
101.02424	11.1
113.02418	6.3
119.03473	2.8
131.03523	0.7
143.92288	0.5
149.04562	0.9
161.04503	3.7
179.05598	3.2
203.05573	1.0
221.06654	2.2
287.15027	0.5
297.09796	14.0
302.24057	0.5
341.10889	3.4
347.17105	28.0
379.30740	0.6
379.35449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44283	0.6
52.41446	0.6
58.02966	4.4
58.09739	0.6
59.01378	42.9
70.02966	7.2
71.01366	3.2
72.04518	2.6
73.02939	2.9
74.02463	34.8
78.62241	0.6
80.55489	0.6
87.00808	0.7
89.02425	3.9
91.64465	0.6
92.20013	0.8
98.02472	7.1
101.02414	4.7
113.02424	2.8
116.03511	21.2
116.05004	6.1
118.33847	0.7
119.03497	0.9
130.06631	0.7
159.09286	2.8
161.04550	2.7
175.24333	0.6
177.09198	1.0
182.85059	0.7
195.10303	4.9
201.10365	5.7
203.08255	69.8
208.70383	0.7
245.09294	100.0
289.08228	4.8
308.95938	0.7
357.15527	1.4
399.16571	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	1.7
59.01374	33.2
61.32930	1.4
61.33255	1.6
70.02962	7.4
71.01373	3.4
72.04533	1.6
74.02462	33.9
89.02393	1.7
92.19408	1.9
98.02454	7.7
101.02461	5.5
113.02466	2.0
116.03516	24.8
116.05038	6.6
119.03464	2.6
159.09251	2.1
201.10242	5.4
203.06781	1.2
203.08246	70.8
245.09296	100.0
289.08231	3.2
357.15625	2.9
399.16614	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	733.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.7
59.60667	0.6
62.07611	0.6
62.20748	0.6
71.01383	1.0
74.67628	0.6
79.95730	1.4
87.00849	1.2
96.95995	100.0
120.20527	0.6
129.05486	1.0
148.04033	5.4
150.05630	1.0
154.05132	1.0
161.04799	9.0
175.05090	14.0
176.05922	1.0
202.08711	3.1
203.04643	4.4
206.54637	0.7
211.13318	1.5
216.06659	1.1
232.08498	3.6
233.09303	12.3
244.09814	23.3
245.09311	1.5
287.10352	3.8
305.11533	1.1
320.66638	0.8
468.17786	7.1
472.20520	0.9
496.36728	0.9
605.25946	4.7
635.27191	22.3
645.31836	0.8
689.34650	0.9
703.23413	1.2
733.23187	7.9
757.94672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
66.00136	0.5
71.01355	0.6
79.95717	2.1
81.41428	0.5
81.85700	0.5
87.00848	0.6
92.20120	0.8
95.34102	0.6
96.95994	100.0
105.47678	0.5
129.05576	0.9
148.04068	4.3
149.04770	0.6
150.05577	2.0
160.04103	0.6
161.04810	10.1
162.05600	1.0
175.05106	14.6
202.08803	2.2
203.04620	5.6
211.13431	1.1
216.06644	1.2
227.09497	0.5
232.08533	4.6
233.07184	0.9
233.09308	13.9
243.09056	0.5
244.09824	23.7
245.09315	2.2
251.01282	0.6
286.09543	2.3
287.10434	2.9
305.11264	1.8
312.13477	0.5
338.11533	0.8
346.79004	0.6
370.17636	1.0
371.77823	0.5
428.53091	0.7
468.17786	9.8
472.20859	0.6
488.20432	0.6
502.89987	0.5
605.26416	5.2
635.27283	25.0
733.23340	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	733.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15192	0.4
59.01377	4.0
69.62373	0.4
78.98212	0.4
79.95728	1.6
86.50022	0.4
87.00903	0.4
94.00728	0.4
96.95996	100.0
113.02469	0.6
143.92654	0.4
145.08704	4.8
148.04044	2.8
150.05544	1.0
161.04816	6.4
175.05090	7.7
187.09816	1.9
202.08852	0.7
203.04622	2.8
210.25790	0.5
216.06641	0.9
226.08708	0.6
232.08531	2.5
233.09288	6.7
244.09792	12.9
286.09741	0.7
287.10425	1.0
305.11395	0.5
382.18060	0.5
468.17636	7.1
525.26453	0.4
605.26550	2.8
635.27289	14.4
703.23108	0.8
733.23737	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	732.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17805	7.7
58.62458	8.1
59.01382	100.0
66.80888	8.6
71.01374	96.7
73.02924	16.7
76.96622	10.0
85.02924	16.8
89.02444	87.7
101.02419	97.1
106.24194	10.5
113.02431	52.1
119.03465	44.6
143.03467	14.0
146.86403	10.2
161.04524	23.3
206.87599	10.2
221.06706	40.1
281.04800	10.3
328.36996	11.4
373.42050	11.7
628.22302	98.1
646.23267	69.8
688.24292	71.6
714.35016	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16399	0.8
59.01360	1.0
63.27887	0.8
65.24905	0.9
87.00848	1.0
109.02937	20.5
121.02934	1.4
123.04500	1.5
133.71127	1.1
144.51141	1.0
145.02951	2.0
145.92436	1.1
146.03752	1.7
147.04507	62.8
157.02928	2.4
159.04477	27.0
161.02545	1.4
173.02451	1.8
175.03934	4.6
179.05592	1.5
182.14192	1.3
185.02467	5.7
201.02002	1.3
203.03467	4.7
213.07628	5.4
229.01411	57.5
249.05472	4.3
267.06622	25.2
269.08167	23.8
277.05048	19.6
278.05847	1.9
280.03790	1.3
293.04529	5.2
294.05414	2.3
295.06100	48.9
313.07333	1.1
339.05099	100.0
357.05869	1.5
365.09235	1.1
475.12164	2.2
499.61386	1.0
519.11420	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	82.2
68.79362	2.7
69.54269	2.5
71.01376	78.6
73.02932	16.2
83.01386	3.6
85.02953	22.4
87.00862	14.1
89.02431	92.5
90.66489	2.9
95.01411	3.2
97.02937	4.7
99.00868	3.7
101.02435	82.5
113.02447	57.1
119.03478	36.4
125.02426	19.1
131.03476	18.4
143.03485	10.8
160.07663	4.1
161.04573	28.4
161.86917	2.8
164.22021	2.6
179.05595	18.0
219.05630	2.7
221.06650	24.2
260.19553	2.7
304.11743	4.3
322.12927	13.6
323.09668	3.4
367.60284	2.9
383.11868	3.5
391.58188	2.8
506.98099	3.0
520.45947	3.0
628.22467	60.6
646.23431	37.8
688.24536	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	731.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	23.4
71.01374	25.9
73.02924	8.2
74.02472	2.1
79.02666	2.0
85.02922	5.4
89.02422	17.3
96.44599	2.1
99.00891	2.8
100.51604	1.9
101.02425	28.1
113.02401	9.5
118.81908	2.4
119.03481	5.1
121.02911	14.8
125.02410	4.2
131.03413	3.2
161.04568	9.1
179.05516	2.5
197.04533	4.6
199.59665	2.1
203.08179	9.4
209.04514	4.7
227.16460	5.1
228.00261	2.8
243.59041	2.2
245.09279	12.9
245.17511	12.4
375.99918	2.2
389.21680	12.8
407.22800	34.3
610.08093	2.7
731.33557	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	731.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26205	2.1
59.01378	38.1
71.01374	38.9
73.02941	9.4
75.77882	1.9
85.02930	12.9
87.00874	2.5
89.02450	33.5
96.95988	3.6
97.02952	3.1
101.02425	43.8
111.00828	2.9
113.02426	26.0
117.85320	2.3
119.03447	11.7
122.13018	2.3
125.02436	8.6
131.03482	4.6
143.03444	4.8
161.04562	11.8
175.54709	2.6
221.06747	4.7
233.90956	2.4
396.49835	2.3
731.33453	100.0
731.45728	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	731.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66979	2.1
52.68487	2.1
52.71684	2.0
59.01376	100.0
69.16011	2.7
71.01370	46.2
73.02946	25.2
80.04554	2.6
83.01369	9.7
84.23196	2.5
85.02940	27.6
87.00853	10.8
89.02422	26.7
95.01382	4.1
96.95995	30.7
101.02438	35.5
112.67427	2.4
113.02444	41.3
119.03455	5.8
128.03490	4.4
135.40668	3.1
143.03479	4.2
161.04533	5.0
397.22394	6.1
523.25543	11.9
541.26324	25.1
559.26508	4.4
583.27338	42.9
601.28809	39.9
643.29840	25.7
687.35052	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	731.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97068	1.3
59.01382	100.0
64.00932	1.4
65.80424	1.5
71.01376	22.5
71.30804	1.3
73.02927	7.4
74.87902	1.5
76.79034	1.6
77.37044	1.5
83.01382	1.5
85.02932	12.0
87.00863	3.4
89.02415	7.2
96.96019	1.7
101.02425	18.3
113.02448	20.6
161.04507	1.8
243.10287	2.2
262.07227	1.9
523.25311	17.0
541.26764	17.5
583.27625	34.9
601.28546	20.7
643.29608	12.6
731.28558	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	731.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10756	2.0
56.01762	2.2
59.01365	2.7
66.88621	2.1
76.12154	2.1
96.95990	3.7
107.04999	10.6
119.04983	2.6
131.04997	4.2
135.04509	100.0
148.75182	2.1
149.06036	10.7
151.04041	2.5
161.02394	4.5
165.05521	18.8
182.16208	2.4
299.09055	3.4
311.09598	2.6
313.10730	4.5
325.10770	3.9
341.10327	11.2
355.08304	9.4
356.08932	3.3
358.10608	20.5
365.39072	2.7
370.10666	29.6
373.12863	30.0
385.13037	5.8
419.73914	2.5
555.73187	2.6
569.11768	3.2
569.19714	22.1
731.25574	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
67.67102	0.4
82.09842	0.5
82.22811	0.5
85.02952	0.6
92.19425	1.0
95.01300	0.5
96.46820	0.5
123.00852	3.2
138.03230	9.3
153.05562	7.2
166.99898	4.8
181.01410	2.1
182.02205	67.3
196.03746	3.1
197.04556	100.0
211.06215	4.1
224.03355	0.8
239.05626	3.6
502.64377	0.6
569.18774	28.1
672.90234	0.8
731.24152	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	731.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07784	2.5
52.98545	2.1
54.01398	2.0
55.32493	2.3
59.01369	5.5
67.09145	2.1
67.90123	2.0
71.01373	2.3
80.03296	2.4
88.09124	2.4
96.95971	9.3
107.04998	12.1
119.05016	16.9
131.04999	4.2
135.03487	4.0
135.04503	100.0
135.91843	2.2
149.06052	15.7
161.02444	5.2
165.05560	13.2
175.69090	2.3
182.09373	2.4
193.05074	3.2
230.80705	2.5
299.09277	3.2
313.10773	5.1
325.10678	3.2
341.10287	13.1
347.53522	2.6
355.08118	14.4
356.08990	15.6
358.10626	31.1
370.10617	36.6
371.11331	11.9
372.26846	2.7
373.12888	41.8
385.12939	4.4
431.15085	3.4
491.17218	12.3
569.20422	52.5
731.25446	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56588	0.5
56.08528	0.5
59.01089	0.6
59.01361	4.4
69.51611	0.6
71.01376	4.8
73.02934	0.8
85.02928	0.8
87.00854	0.6
89.02409	1.4
94.38490	0.6
95.01411	0.7
101.02420	2.6
113.02421	2.4
123.00851	5.3
138.03221	11.9
153.05560	10.5
158.20457	0.7
164.23808	0.7
166.99841	7.3
178.69087	0.7
182.02200	93.7
193.05029	1.4
196.03709	1.4
197.04549	100.0
209.08174	1.3
211.06049	1.0
221.06618	1.0
261.08893	0.6
303.25198	0.7
321.81357	0.6
345.13535	0.6
515.08234	0.6
521.98157	0.6
731.24048	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37097	0.5
61.03169	0.5
61.15143	0.7
69.67432	0.5
73.61546	0.6
82.81101	0.6
87.00859	1.3
98.45491	0.6
106.04290	0.6
107.05019	11.2
121.02958	1.2
133.06546	4.3
135.04498	1.1
136.29439	0.6
140.20779	0.6
149.06065	23.2
149.07190	1.2
165.05609	2.2
177.05571	26.2
179.03491	56.2
185.64014	0.6
195.06595	4.9
221.04518	1.3
239.05609	100.0
311.40335	0.6
451.48996	0.6
491.16589	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	731.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72534	0.9
52.38481	0.8
55.53556	0.8
59.01373	1.9
71.01352	1.1
72.50875	0.8
79.95731	2.1
82.39497	0.9
89.02415	1.0
92.95226	0.8
93.56318	0.9
96.95998	100.0
101.02451	1.6
141.70874	1.0
166.35425	0.9
205.12346	1.3
211.65552	0.8
266.79794	1.2
420.27646	1.0
589.24945	6.3
667.30304	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	729.481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17189	0.7
56.59466	0.8
68.71802	0.8
71.13734	0.9
77.16245	0.8
79.15143	0.7
92.95730	0.8
103.41134	0.8
116.92834	5.0
153.12842	21.6
156.32858	1.0
197.11826	37.0
215.12871	100.0
225.00769	1.3
406.51477	0.8
499.33066	1.0
685.34503	1.4
729.34058	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	731.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
71.01360	0.6
72.99313	0.7
80.69980	0.5
96.83706	0.4
96.95985	0.8
101.02455	0.8
101.30816	0.4
107.05018	4.2
119.05009	9.9
119.67332	0.4
121.77296	0.4
123.04529	0.9
124.01616	4.7
135.04520	10.3
137.06068	7.8
139.03993	12.9
161.02467	0.5
163.03995	11.5
179.03505	0.5
181.05052	100.0
193.04996	0.5
195.03003	0.5
255.05116	3.2
279.42130	0.4
343.10333	62.2
357.55084	0.4
432.37766	0.5
634.69312	0.5
645.67346	0.4
675.94385	0.5
744.44836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
71.01363	12.5
73.02944	5.1
80.40202	1.0
83.01375	1.3
85.02921	7.2
89.02422	2.4
99.00826	3.7
101.02419	11.5
104.97420	1.2
105.16129	1.2
113.02412	8.7
149.20551	1.1
159.02943	2.0
161.04518	6.2
213.98718	1.1
315.18082	6.1
327.21512	4.5
357.19171	26.9
529.05560	1.2
614.05280	1.2
660.90808	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	729.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34521	1.6
55.12505	1.3
57.03445	2.0
59.01375	28.6
71.01379	21.0
73.02930	7.6
76.71323	1.7
83.01386	7.6
85.02945	14.0
85.56493	1.4
89.02415	9.8
89.93350	1.5
92.20002	1.9
95.01383	1.9
97.02905	2.6
99.00833	1.6
101.02448	26.0
113.02438	13.6
116.92863	14.5
119.03502	1.7
163.57774	1.6
164.98578	2.2
319.19366	3.1
319.22815	28.8
394.79813	1.9
463.26895	3.4
481.28250	7.6
523.28973	3.3
643.33057	3.0
685.34442	100.0
729.33588	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	729.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60896	0.5
59.01371	9.7
60.86825	0.8
62.30624	0.6
71.01355	1.2
89.02414	1.1
92.19933	1.0
97.06559	1.0
101.02443	1.2
119.03464	1.0
123.08137	18.0
125.09700	15.3
133.06538	1.3
141.09210	1.6
151.07622	25.4
158.91702	0.6
167.07103	1.1
169.08679	15.4
195.06624	4.8
213.07672	100.0
261.43048	0.8
298.97504	0.6
437.40060	0.7
471.22430	1.4
515.27612	2.9
543.94739	0.9
625.26410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	61.0
59.52528	6.2
61.94852	7.1
71.01360	34.2
73.02921	10.3
80.35002	6.4
82.07397	7.6
83.01396	8.1
85.02928	30.8
89.02431	26.3
92.69219	7.3
99.00881	9.6
101.02417	36.9
113.02448	30.9
361.27747	8.2
401.19504	7.6
461.00006	7.2
473.89789	6.5
659.76849	8.2
685.34143	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	729.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
74.99092	2.1
80.57013	1.5
86.99073	2.9
120.99637	100.0
136.99187	1.5
162.61235	1.4
165.05583	14.4
167.01733	15.4
177.05563	6.4
181.03275	2.9
193.03355	1.5
211.04393	18.7
227.71025	1.6
229.05298	11.4
249.12463	49.8
301.73883	1.6
317.07150	49.3
383.92331	1.5
411.17859	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	729.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.5
59.47520	0.8
69.81573	0.8
71.01382	7.3
73.02937	2.1
89.02438	12.9
92.20062	1.0
101.02430	6.5
113.02424	5.0
119.03477	2.5
121.83924	1.0
121.87489	0.9
123.04489	4.5
135.04526	6.0
136.05276	8.8
148.24593	1.0
150.03281	1.4
151.07619	8.6
162.03214	1.1
171.09686	1.1
177.05582	4.1
179.05646	1.3
179.90471	1.1
184.21487	1.1
192.25874	1.1
194.05862	6.5
195.06622	100.0
209.08163	12.3
248.20621	1.1
388.07019	1.2
567.20880	37.5
729.26227	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	729.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38054	1.1
59.01374	81.7
59.01670	3.1
65.62501	1.2
81.44763	1.3
87.00855	2.8
103.00339	2.3
104.62069	1.3
105.01920	16.8
106.84306	1.6
108.43910	1.2
117.03470	2.3
119.05010	2.6
132.42001	1.2
135.04388	1.3
145.02936	100.0
147.02983	39.6
155.10953	1.3
163.03973	30.8
189.05573	17.1
193.04860	1.6
251.05470	3.1
284.53073	1.3
293.06647	50.3
546.02161	1.8
711.36700	1.5
729.26617	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	729.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81940	1.4
53.60855	1.4
59.01374	11.2
64.00526	1.3
64.15245	1.3
67.01894	1.6
71.01376	15.6
73.02936	3.2
75.97623	1.3
85.02956	6.2
89.02444	18.7
91.59293	1.6
99.00893	1.6
100.58288	1.4
101.02458	15.9
108.02168	22.3
113.02429	10.0
119.03462	3.7
122.03729	1.8
123.04508	21.2
131.03468	6.9
145.02931	2.3
151.99901	2.9
152.01138	70.7
160.05240	2.9
161.04535	7.9
162.03207	8.5
166.02695	7.8
167.03488	100.0
177.05540	2.1
177.89793	1.5
179.05620	8.7
193.55510	1.5
198.67656	1.4
215.09238	1.6
221.06647	10.7
261.51944	1.8
263.07758	3.0
327.08820	2.3
341.10989	3.1
418.87164	1.7
630.31921	1.6
678.05774	1.7
729.22418	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69912	0.5
59.01377	4.5
62.61017	0.6
71.01360	1.1
75.39680	0.6
79.37888	0.5
87.00858	13.4
89.02459	0.7
91.64160	0.6
96.95972	2.9
103.64642	0.5
110.97091	0.6
122.03635	0.7
123.00772	0.6
123.04499	50.7
137.02383	1.0
138.03209	1.4
139.03995	4.4
149.06062	12.8
151.03978	0.9
161.02426	1.1
165.05548	16.0
167.03433	2.9
175.04005	0.8
179.03586	0.7
182.04779	0.7
193.05045	16.4
195.02979	28.6
219.02962	2.7
237.03970	2.9
255.05095	100.0
283.08228	1.2
321.10764	0.9
341.08917	1.1
343.95508	0.6
346.87167	0.7
494.21414	0.7
558.80853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.8
59.39473	1.1
66.58518	1.2
67.03944	1.3
71.01336	1.8
83.01363	1.5
86.28928	1.3
89.02386	1.6
96.95994	5.9
101.02401	2.6
101.20197	1.3
123.00822	2.0
123.04426	1.4
124.01629	36.0
135.04521	49.9
138.03185	1.8
139.04002	100.0
151.04007	5.0
161.02426	58.0
161.04417	2.2
179.01901	2.8
179.03494	78.9
179.05289	2.4
255.05467	1.9
293.56635	1.7
341.08691	89.1
343.10413	27.3
578.76855	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	727.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
60.82720	0.9
72.62201	1.0
74.34799	0.9
87.00804	1.0
92.19279	0.9
98.23970	1.0
132.26335	0.9
151.11284	13.2
169.12331	100.0
195.10435	0.8
205.39682	0.9
213.11328	68.3
221.33070	0.8
248.05376	0.8
311.55948	1.0
317.21265	3.5
379.54324	0.8
499.32767	1.5
614.10223	1.0
683.32404	1.6
727.34924	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	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32002	7.8
59.01385	100.0
69.03458	10.1
71.01367	18.5
73.02938	47.8
83.01364	10.1
84.08772	9.3
85.02916	21.8
101.02443	20.0
113.02415	36.1
161.51678	9.5
341.78638	10.3
678.32001	10.7
683.32239	55.1
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
53.45856	3.1
54.97441	3.2
59.01381	8.2
72.82661	3.2
75.51547	3.2
123.46314	3.8
132.10968	3.5
150.97472	3.7
171.10258	100.0
277.21658	72.0
682.49640	3.9
705.57324	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57213	0.9
57.03439	1.3
59.01376	23.1
71.01368	10.7
75.00838	0.9
85.02946	7.1
87.00909	1.0
89.02451	10.7
95.44604	1.0
101.02437	13.0
103.03979	1.4
113.02411	7.8
119.03498	2.1
150.78671	1.0
162.71027	1.0
190.17659	1.3
389.06577	1.4
399.32751	1.3
427.83966	1.3
443.31357	1.5
445.33160	1.8
485.36417	6.2
533.08856	1.3
547.36371	38.0
565.11133	2.0
565.37750	1.8
683.32312	6.5
727.42889	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	727.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.6
71.01373	12.6
73.02940	21.1
83.01373	2.8
85.02934	3.2
89.02423	4.1
101.02438	18.1
113.02423	3.6
139.02699	1.7
177.18602	1.7
313.70233	2.0
324.33618	1.8
443.31702	6.6
461.32776	28.6
479.33505	2.4
623.38000	7.3
641.39160	15.9
683.31232	4.7
683.40234	100.0
727.29236	2.7
727.42145	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	727.392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.8
65.79785	2.3
71.01374	8.7
73.02939	21.2
80.37856	2.2
83.01357	2.6
85.02951	4.5
87.00862	10.7
101.02455	17.5
113.02464	9.0
130.99834	4.6
132.29163	2.3
182.53278	2.1
224.28194	2.3
254.04175	2.6
271.23346	2.3
276.45453	2.4
351.11194	2.6
359.29498	3.0
409.71350	2.4
461.32791	53.8
537.98224	2.6
683.40564	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	727.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.8
62.68018	3.7
63.21525	4.0
65.90991	4.1
71.01370	7.3
73.02943	20.9
83.01391	5.3
95.45087	4.6
101.02444	7.6
113.02418	5.2
126.92150	4.7
133.15656	5.6
169.79474	4.2
206.30702	5.0
368.27463	4.4
461.32739	57.4
592.95483	4.9
683.29352	5.6
683.40265	100.0
727.25214	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	727.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82838	1.4
59.01379	41.0
60.28798	1.5
65.92786	1.6
71.01366	42.0
73.02942	18.4
83.01398	1.5
85.02931	11.3
85.96508	1.5
87.00856	3.2
89.02430	48.9
95.01411	2.2
99.00888	2.0
101.02435	48.5
106.89667	1.5
108.31583	1.9
113.02428	31.6
113.14410	1.6
119.03505	18.5
125.02422	2.4
127.73923	1.6
131.03473	24.1
143.03522	2.9
159.02980	3.9
161.04558	28.7
179.05630	15.4
221.06689	24.7
263.07660	9.1
683.32593	100.0
742.47876	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	727.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.01243	1.8
71.01381	42.6
72.72599	2.0
73.02944	47.2
75.00864	4.6
78.06939	2.2
83.01383	12.7
85.02932	18.7
87.00867	4.9
89.02435	33.7
92.19999	4.5
95.01368	2.4
95.36746	1.9
96.43975	2.2
99.00843	3.5
101.02435	67.5
113.02438	34.1
116.92844	2.4
119.03488	12.6
125.02467	3.2
131.03461	15.0
143.03500	3.8
144.81456	2.1
149.04532	4.9
159.02930	3.1
159.08125	2.9
161.04533	26.5
179.05580	8.6
188.62251	2.5
203.05519	2.7
221.06653	14.0
251.35023	2.3
263.07809	8.5
281.19165	3.1
299.20166	55.7
301.21750	2.6
317.21228	15.8
337.37057	2.4
461.32645	28.0
683.31091	83.3
683.41595	20.7
727.42090	14.8
752.06812	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	727.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	74.8
71.01375	37.8
72.99283	1.4
73.02943	22.0
75.00863	4.9
76.58516	0.9
83.01373	6.1
83.76974	1.0
85.02933	13.8
87.00875	1.4
89.02435	34.6
95.01371	4.3
99.00867	4.7
101.02431	33.4
113.02431	29.2
119.03487	9.8
125.02367	1.9
126.09815	1.1
131.03479	1.3
143.03549	1.2
154.01752	1.1
160.99788	1.1
161.04539	2.2
179.05571	1.6
298.84036	1.3
303.19675	4.5
540.25940	1.2
623.31152	2.5
683.32642	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	727.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71884	0.7
56.14042	0.8
58.02964	5.1
59.01375	23.2
67.25173	0.8
68.09594	0.8
70.02964	8.9
71.01376	4.6
72.04541	1.9
73.02940	1.8
74.02464	36.3
84.05064	0.8
85.02943	1.9
87.41916	0.9
88.88988	0.9
89.02434	3.1
92.19929	1.5
98.02455	7.2
101.02435	6.7
113.02425	4.5
116.03517	20.4
116.05059	8.7
118.03721	0.9
125.02322	1.0
131.03377	0.9
138.73250	0.9
140.37390	0.9
142.06638	1.2
159.09247	1.8
161.04463	1.1
165.05496	1.5
182.99858	0.9
184.28848	0.9
189.14903	1.8
200.00598	0.9
201.10257	7.8
203.08263	73.0
235.17139	1.0
245.09305	100.0
286.60843	1.0
289.08258	4.2
291.14597	1.0
333.19055	7.8
347.17102	0.9
351.20273	5.6
393.21371	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	727.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95119	1.6
59.01382	32.5
63.08871	1.8
69.03453	2.5
71.01373	31.7
73.02958	4.0
83.01366	4.5
85.02938	12.1
87.00864	2.3
89.02431	17.2
93.03448	4.1
94.71648	2.0
97.02945	2.3
99.00860	2.8
101.02432	18.2
113.02435	20.4
119.03465	2.4
121.91444	1.7
122.03712	4.1
125.02387	2.6
137.02370	3.8
165.05533	11.5
179.07133	2.8
185.87169	2.2
188.76115	2.2
191.32281	2.2
298.12051	2.4
307.89648	2.1
313.14404	11.3
328.13113	4.7
328.35535	2.0
343.15399	11.3
346.14282	9.6
347.14819	3.7
361.16620	100.0
396.23642	2.2
505.13474	2.0
505.20752	15.4
523.21710	10.6
552.41205	1.8
565.22919	10.2
667.25922	8.5
685.27393	15.0
727.28223	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	14.7
63.96204	1.0
69.24229	1.0
70.93530	0.9
71.01382	9.2
89.02439	11.0
101.02415	4.7
113.02412	2.5
119.03508	2.3
120.01217	4.5
122.78181	1.0
123.04568	1.7
126.85669	1.0
143.03575	1.1
160.01674	1.5
161.02423	15.7
161.04704	1.2
161.43132	1.2
162.05611	1.7
179.05592	2.3
254.10464	3.8
255.11041	1.9
297.07642	2.2
311.09262	10.8
325.10843	10.5
326.11578	12.4
338.08035	1.5
339.08707	1.7
353.10059	2.0
355.08246	35.4
370.10565	100.0
385.12930	45.7
503.54111	1.2
547.18384	3.8
565.19287	47.6
712.95001	1.1
727.25232	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80622	1.8
59.01370	11.2
71.01411	2.5
86.97686	2.3
89.02446	4.6
89.79393	1.8
92.34294	1.9
97.64004	2.1
101.02434	2.3
113.32836	1.7
117.02406	2.3
125.02464	2.0
139.10753	2.0
143.78561	2.0
151.03967	3.1
153.05428	2.1
161.02431	12.5
213.05222	2.0
228.34320	2.1
243.18712	2.3
243.37610	2.2
254.03247	2.3
259.84866	2.5
299.09238	10.8
303.12405	2.1
311.08990	3.9
313.10825	8.2
314.11517	8.0
317.66202	2.0
325.10773	4.6
326.11502	4.8
339.08334	2.1
341.10098	16.3
343.08075	3.5
355.08264	32.1
358.10577	54.7
370.10553	71.1
373.12894	69.5
385.13098	19.5
403.14154	4.3
727.24615	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	727.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05943	0.9
52.75241	1.0
53.09884	1.0
54.90860	1.0
56.30729	1.0
59.01376	6.9
63.00610	1.0
71.01374	5.0
74.28750	1.1
84.43323	1.0
87.00864	1.8
89.02403	2.2
89.84042	1.3
89.94489	1.3
91.16246	1.1
92.19333	1.9
96.95996	4.5
101.02417	7.1
103.47353	1.1
108.02148	8.0
119.03464	2.3
123.04505	18.3
152.01141	31.7
167.03477	100.0
183.85478	1.4
227.10492	1.2
243.05147	2.7
267.69461	1.5
369.57758	1.3
627.25195	1.2
639.66656	1.2
727.23224	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58647	1.5
60.58815	1.4
61.33186	1.4
71.06020	1.4
75.12155	1.7
79.16401	1.3
91.53597	1.5
96.95967	2.0
107.05026	14.2
120.97668	1.4
133.06606	6.0
146.62599	1.5
149.06052	24.6
177.05554	33.2
179.03494	62.8
195.06613	1.6
221.04581	2.0
239.05603	100.0
553.67670	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	727.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60291	1.7
59.01376	100.0
60.45300	2.4
71.01370	33.8
73.02937	87.0
76.31022	1.9
78.44226	1.9
83.01377	19.0
85.02924	3.1
87.00878	3.5
89.02425	20.5
96.95984	18.2
101.02419	74.8
103.46035	1.8
106.83463	2.1
107.05025	4.3
113.02436	26.6
114.02697	2.0
118.99104	2.0
119.03547	8.2
119.04998	63.6
130.58102	2.1
131.03471	2.3
143.03503	3.6
149.04523	17.6
149.06009	5.0
155.03484	2.5
161.04536	30.7
163.03990	22.6
177.05551	4.3
179.03481	19.6
181.30437	2.1
221.06648	46.6
227.37146	2.0
239.05574	39.9
317.06018	2.2
325.09393	24.5
608.79315	2.2
727.20233	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	727.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12741	0.7
56.02138	0.6
57.52421	0.6
59.01348	0.7
71.01366	0.9
73.02938	14.0
77.88536	0.7
81.59711	0.6
83.05002	3.6
85.02936	1.6
93.03441	44.5
99.00844	5.9
99.04504	4.5
103.84707	0.7
111.04499	30.4
114.83717	0.6
129.01886	4.2
131.08286	1.0
137.02431	16.9
143.03525	9.1
155.03491	20.0
173.04529	100.0
173.10428	1.5
175.09335	0.7
268.06424	0.8
385.05435	95.5
515.16260	1.7
517.65704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95228	1.3
51.00597	1.3
59.01361	6.1
72.99284	1.6
76.10394	1.2
84.04529	14.4
85.02943	1.4
102.05610	22.9
126.05603	2.7
128.03519	90.3
143.04575	3.0
146.04546	13.9
151.04005	9.6
165.05533	7.5
172.96661	1.3
179.07144	1.8
207.06560	8.9
224.06924	5.6
225.07660	34.8
239.09270	23.4
250.10835	2.4
278.10248	6.3
292.11841	2.9
294.09766	2.8
306.07736	6.5
309.11942	4.4
310.12918	3.0
324.14386	2.3
508.47971	1.8
564.20294	1.7
597.21448	1.7
663.19830	1.9
726.26257	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	726.204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	9.8
59.01376	6.3
64.69144	1.0
70.02978	8.4
71.01360	2.5
72.72551	1.1
73.02937	2.2
83.01424	1.3
86.55217	1.1
91.05530	9.6
101.02455	1.7
113.02412	1.5
115.00336	7.6
121.74951	1.1
135.04543	1.2
136.04030	58.9
137.02393	1.8
146.06108	1.6
147.04524	15.6
151.84909	1.2
153.05588	1.2
164.07159	89.5
206.08220	100.0
208.06030	1.7
234.04306	1.1
250.07118	2.9
252.05124	39.0
267.06473	1.5
268.06686	1.5
373.07666	1.3
382.79712	1.1
385.50986	1.1
475.12759	4.5
588.85962	1.4
646.08142	1.4
682.23560	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	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20872	0.4
59.01080	1.1
59.01380	23.7
62.12500	0.6
101.02444	0.7
134.04813	0.6
167.80536	0.6
179.67010	0.6
221.68387	0.7
237.95461	0.6
409.31128	0.6
421.31158	1.0
443.31711	0.6
453.30072	5.5
485.32721	15.3
503.33817	100.0
665.38995	6.6
725.41302	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	725.4118
Annotation	Pentandroside A
Peak:m/z	Relative Intensity
51.40917	1.2
53.54203	1.2
58.89518	1.2
59.01377	32.6
65.02388	1.2
71.01375	10.4
71.10727	1.2
75.00864	1.9
77.88325	1.2
85.02947	6.0
87.00848	1.3
89.02435	17.8
101.02423	11.6
103.03994	11.4
105.78814	1.2
113.02416	10.3
119.03425	4.7
166.40305	1.3
192.04408	1.4
202.18919	1.1
218.97617	1.2
238.69069	1.4
301.61859	1.4
314.62094	1.3
316.80032	1.5
397.30743	1.6
402.61224	1.2
441.30283	7.0
527.33032	1.5
545.34869	36.1
617.14264	1.3
681.30884	2.7
690.04456	1.4
725.41309	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	725.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25530	4.3
53.93627	4.7
59.01373	38.1
70.75052	4.5
71.01354	5.3
73.02934	24.6
78.82912	4.5
80.60733	4.6
84.41193	4.9
96.27869	5.1
96.95995	8.6
101.02413	21.4
113.02447	8.5
124.68567	5.6
459.30981	58.9
468.13077	5.6
640.65027	7.3
681.39282	100.0
713.20148	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	725.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46065	1.6
57.03434	2.3
59.01104	2.8
59.01371	30.4
69.17645	1.7
71.01372	19.3
72.99305	2.4
73.02945	8.1
75.00861	28.5
75.66499	1.7
83.01376	3.5
85.02937	29.4
86.83151	1.8
87.00851	4.8
89.02413	2.2
95.01369	3.5
99.00865	9.5
101.02427	10.1
113.02425	43.8
115.00405	2.9
117.01878	2.8
162.12181	2.0
301.21722	32.5
401.10184	2.3
597.27838	2.2
681.30939	100.0
725.30566	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	725.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55296	0.6
55.08776	0.5
67.13904	0.6
72.10780	0.7
83.04997	1.3
86.94519	0.7
87.00862	48.1
93.03434	5.0
95.26064	0.6
96.95977	0.7
111.04531	4.7
114.94902	0.6
121.02928	0.9
135.04628	0.6
137.02437	17.2
155.03481	5.2
157.08708	4.9
163.06384	0.6
199.06078	3.3
225.03972	1.1
240.13542	14.3
243.05080	100.0
397.96268	0.6
484.19400	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	725.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90606	16.4
59.01383	100.0
66.35007	20.8
71.01377	44.0
79.69719	19.4
89.02460	23.9
90.20119	18.0
91.58066	18.9
101.02435	93.2
113.02441	33.1
143.03372	19.4
151.55534	19.8
161.04494	18.8
192.32269	20.5
198.30855	21.7
262.07150	32.5
333.70502	22.4
621.27844	75.7
681.30353	37.2
742.04626	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	725.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.2
58.85722	2.7
59.01376	85.5
65.42292	3.0
69.23636	3.0
69.64732	2.7
71.01373	78.9
73.02934	27.1
73.58273	2.9
77.47743	3.4
80.55466	3.1
83.01369	4.8
85.02939	27.1
89.02428	65.0
95.01337	3.8
97.02942	7.5
99.00854	5.9
101.02431	81.5
111.00839	6.7
113.02408	36.3
117.81609	3.1
118.21696	3.7
119.03464	18.4
125.02425	26.2
131.03494	3.5
141.01967	3.7
143.03499	7.5
155.03339	4.6
161.04523	21.4
173.34709	3.6
221.06558	4.1
233.77896	3.5
236.05260	3.2
245.06531	3.4
323.09769	4.9
350.33807	3.4
500.80048	3.6
537.14124	3.7
621.27673	100.0
639.28876	72.3
681.29816	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19290	0.9
53.25700	0.9
53.47175	0.9
57.11852	1.0
59.01373	100.0
61.90946	0.8
62.97867	0.9
71.01367	12.5
72.38475	1.0
73.02929	13.9
74.56001	1.0
83.01397	1.4
85.02921	2.5
88.36388	1.1
89.02438	13.7
101.02428	22.0
102.19083	1.0
103.67525	1.1
113.02432	8.8
119.03438	4.6
122.06140	1.1
131.57030	1.2
161.04501	5.2
179.05681	2.1
221.06676	1.5
235.79848	0.9
289.12854	1.9
305.16281	1.3
347.17133	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35093	1.3
58.02966	7.1
59.01380	22.5
70.02969	11.2
70.91113	1.1
71.01378	6.1
72.04529	1.8
73.02946	14.3
74.02464	44.6
78.98331	1.1
79.46004	1.0
80.43637	1.2
83.01355	1.8
87.12582	1.3
89.02412	1.8
95.01344	1.1
98.02455	6.0
98.33961	1.3
101.02455	10.4
111.68739	1.5
113.02428	6.1
116.03510	23.6
116.05045	7.8
136.04037	1.5
142.06622	2.2
149.04512	2.6
159.09338	4.5
161.04578	6.9
201.10332	6.1
203.08267	74.7
221.06657	6.1
224.35234	1.2
241.04344	1.7
245.09299	100.0
289.08276	2.2
306.07471	1.7
329.93045	1.3
347.17474	1.3
363.86108	1.4
391.19858	1.9
636.14862	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	725.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	13.0
70.58479	2.2
71.01376	4.0
73.02934	4.5
73.97100	2.3
87.00859	57.5
92.95294	2.3
101.02413	4.0
107.04993	3.1
110.61144	2.7
112.05245	3.7
113.02412	3.7
121.02937	5.8
122.03725	12.6
130.99841	34.7
132.00623	9.4
147.04478	10.5
148.05267	3.3
153.18544	2.5
163.03990	10.7
164.04657	3.3
177.90620	2.4
191.03531	4.1
191.10760	14.0
192.04251	6.1
194.02217	3.0
219.10254	9.8
254.04288	5.5
270.80130	2.7
291.08664	2.9
337.44748	2.8
351.10858	100.0
360.40771	2.6
655.03131	2.6
681.38849	5.4
725.26367	4.3
735.26434	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	725.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	28.0
71.01370	34.2
73.02940	11.4
83.01387	1.5
85.02935	8.9
85.62180	1.0
87.00854	9.1
88.66927	0.9
89.02437	20.3
91.82477	0.9
99.00865	1.7
101.02431	32.9
106.04227	1.6
107.05034	2.2
113.02420	21.3
119.03484	6.9
125.02451	1.1
131.03479	13.8
143.03441	1.4
147.08165	4.4
151.45944	1.1
159.02979	6.8
161.04538	17.1
173.06033	5.5
179.05629	1.9
221.06693	8.7
253.12608	1.4
279.10287	8.5
290.68130	1.0
297.11322	76.4
383.11591	1.2
681.24005	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	725.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.6
66.67815	1.8
69.97042	2.0
71.01368	11.5
73.02938	2.8
80.40118	1.6
83.01400	1.8
87.00845	14.5
89.02428	1.6
99.00873	15.9
101.02438	7.7
102.65008	1.5
110.75497	1.6
111.00857	10.3
111.28111	1.4
112.98775	17.1
113.02409	2.5
123.00814	1.9
142.99886	15.5
149.36765	1.7
152.72641	1.5
153.05595	1.8
161.02420	3.9
164.04788	1.8
167.24854	1.6
173.00879	2.9
174.01645	17.6
178.06348	2.5
179.03477	3.5
179.07089	9.0
181.04990	7.0
191.07133	6.8
193.08626	3.0
194.05840	9.3
206.05801	3.1
209.08212	26.2
221.08266	4.0
233.08057	2.3
234.05309	3.8
237.07709	2.6
246.05174	2.1
249.07671	7.1
262.04822	17.2
265.07059	16.1
277.07172	33.0
291.08926	2.0
322.06915	3.2
323.39795	1.7
337.09308	23.3
441.65585	1.7
503.13950	6.4
614.44495	2.0
707.19745	2.2
725.21405	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	725.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26774	1.8
74.34142	2.0
80.70412	2.1
92.19294	3.1
96.95987	2.7
100.76320	2.0
112.49755	1.8
127.61749	2.0
135.04498	2.5
139.68375	2.0
166.43782	2.0
264.23492	2.3
296.06937	23.2
307.59888	2.0
311.05551	4.5
320.72650	2.4
323.05420	2.9
325.07129	3.1
341.06516	2.5
342.11710	2.1
353.06720	37.6
358.03604	2.3
365.06540	4.1
383.07730	38.4
395.08026	3.2
407.07657	2.7
413.08612	8.9
422.36221	2.4
515.11798	19.2
545.13092	13.1
563.14581	2.3
601.57104	2.7
725.19360	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	725.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66529	1.4
65.50890	1.5
71.04107	1.6
77.85783	1.5
96.16555	1.7
96.95975	16.7
107.40582	1.7
142.28500	1.6
154.60498	1.5
191.03880	1.8
217.77861	1.9
228.17955	1.6
230.59895	1.9
240.72502	1.8
296.06897	34.1
311.05515	2.7
323.05511	8.5
353.06772	29.1
365.06577	3.6
383.07684	25.7
395.07678	2.9
413.08234	3.3
431.24673	1.9
443.09726	2.0
473.11026	2.1
515.12018	21.8
545.13031	14.6
563.14221	2.4
701.22028	2.1
725.19287	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	725.1936
Annotation	Schaftoside 4'-O-glucoside
Peak:m/z	Relative Intensity
56.60238	0.9
59.01377	19.4
65.42306	1.0
71.01349	2.5
72.04449	1.0
85.02948	1.1
89.02425	1.9
96.96007	1.6
101.02380	2.0
113.02415	1.5
120.08516	1.2
131.31566	1.1
136.89218	1.1
233.04564	1.5
257.09286	6.2
258.09689	2.2
289.12982	1.6
297.07639	5.8
311.05630	1.8
323.05627	1.8
324.06339	1.3
325.07098	9.5
326.77966	1.3
347.17191	2.7
353.02310	2.6
353.06659	72.2
356.05188	1.4
365.06592	4.8
367.08157	7.1
377.06491	2.3
383.07751	7.4
391.08496	1.7
395.07687	35.8
407.07401	1.5
419.07693	2.8
425.08884	5.1
437.08740	7.5
443.09946	17.0
455.10056	1.3
467.09903	2.2
485.11227	2.9
545.12628	1.3
725.19330	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	725.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01965	3.0
71.01375	21.1
73.02929	4.0
89.02451	8.4
101.02440	8.0
104.79841	3.8
107.25642	4.0
123.04500	8.9
128.03561	8.2
180.29318	4.0
183.85008	4.0
225.07971	4.1
242.96219	3.7
274.34659	4.4
294.12137	7.3
309.14563	9.3
325.07169	6.0
353.06677	62.1
383.07672	47.5
395.07822	7.0
425.08902	12.7
508.38690	4.3
672.13495	6.0
725.18408	100.0
725.28809	21.8
757.91620	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	724.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48146	1.0
58.02975	1.9
62.76833	1.3
74.02457	9.4
78.52472	1.1
79.95765	1.4
86.02463	2.9
99.05640	6.9
109.87318	1.3
112.58923	1.2
125.03503	1.3
127.05151	2.0
128.03529	36.4
135.05704	1.5
141.06737	1.6
143.04610	54.0
145.06279	1.4
146.04550	2.9
153.06706	5.7
160.00737	11.9
167.04604	5.8
167.08249	1.7
177.03363	2.0
179.04610	13.2
185.05692	2.1
198.73637	1.3
210.08858	9.2
240.31528	1.3
242.07860	2.4
254.07681	5.1
272.08893	6.3
304.74835	1.2
306.07669	100.0
395.67093	1.3
397.25650	1.4
478.90170	1.5
579.07617	1.5
584.28131	1.5
754.33191	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	724.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36028	1.0
53.43920	1.2
56.07671	1.1
58.02979	1.7
74.02452	10.0
85.02944	1.5
86.02466	2.6
90.00154	1.4
90.86550	1.4
99.05636	12.8
110.05030	1.3
116.01788	1.7
128.03505	38.4
135.05626	2.1
141.06702	3.2
143.04604	57.0
145.06232	2.2
146.04559	5.6
153.06648	3.4
160.00758	16.9
166.09828	2.2
167.04655	5.1
167.08359	1.6
177.03378	3.3
179.04549	14.0
181.06071	1.8
185.05649	2.1
210.08759	12.6
215.40961	1.4
254.07845	8.4
272.08923	6.3
306.07660	100.0
329.96255	1.4
435.53271	1.5
659.23438	1.6
724.24359	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	724.189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42393	0.8
58.02973	8.7
61.21009	0.7
63.72974	0.7
68.76505	0.8
70.02974	6.6
91.05517	11.1
91.85816	0.7
111.14285	0.8
114.05576	0.7
147.04526	20.0
164.07172	90.9
168.05380	0.8
196.25894	0.8
206.08224	100.0
250.07155	4.4
266.05823	5.3
267.06693	12.4
429.11786	1.1
435.41693	1.0
473.10995	7.2
598.32056	0.8
646.46747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04581	1.0
56.09385	0.9
59.01378	79.0
62.23047	0.9
64.27966	1.0
66.96542	1.0
67.42567	1.0
70.25219	0.9
74.93471	1.0
76.88857	0.9
83.33318	1.0
91.86053	1.0
109.06608	1.1
121.02912	2.0
134.06081	2.2
165.12811	5.6
209.11833	100.0
219.19176	1.0
247.14540	5.9
305.99307	1.3
472.28003	4.0
499.33017	9.0
502.68851	1.1
723.45795	1.1
728.42822	1.1
754.12921	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92436	0.6
52.96137	1.0
53.82883	0.9
57.03432	0.8
59.01374	10.1
66.55698	0.7
69.28399	0.7
86.89836	0.8
93.07096	1.2
101.02430	1.0
101.76893	0.9
119.08643	9.0
121.02947	3.9
134.06128	1.6
135.11800	12.7
147.11780	26.6
165.12776	1.6
179.10730	11.8
181.12331	1.1
191.10812	12.2
209.04620	3.3
209.11829	100.0
247.14563	3.5
499.32907	1.9
723.39301	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	723.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33986	1.4
58.39098	1.5
59.01377	100.0
71.01360	10.3
71.93105	1.5
73.02940	1.7
85.02916	1.9
89.02415	9.7
101.02415	11.3
113.02431	7.5
119.03482	3.1
140.48035	1.7
141.01677	42.8
156.25703	1.5
167.62018	1.8
219.90506	1.8
434.79510	1.8
542.33862	2.0
563.04480	1.7
723.39752	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37886	2.0
59.01370	27.8
66.59907	2.3
71.01371	5.9
73.02933	14.4
89.02444	4.0
92.34426	2.3
101.02424	20.7
106.13303	2.5
106.15217	2.6
123.74106	2.8
261.98557	2.6
355.26370	3.8
395.29446	14.5
457.29584	58.7
508.62631	2.8
577.64880	2.8
637.35632	5.5
679.36932	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	723.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	19.9
64.59980	2.7
68.75417	2.6
70.69131	2.5
71.01366	16.2
75.16859	2.6
85.02897	3.9
89.02412	14.0
97.02946	3.4
101.02406	18.7
108.02136	4.6
113.02429	10.7
121.85826	2.3
123.00876	2.7
123.04511	15.1
128.03516	4.9
150.03186	28.5
151.03984	3.6
161.04506	2.9
164.03519	9.2
165.04233	3.5
165.05550	79.9
178.05084	16.8
180.04289	5.4
192.06627	18.3
195.06551	9.2
197.12959	20.1
198.11324	3.5
215.13994	12.5
218.04608	4.1
306.15790	30.5
321.18277	19.9
347.16086	10.5
495.22665	3.0
561.24609	11.7
723.29785	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	723.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61538	1.2
59.01359	2.8
64.27354	1.2
70.08372	1.2
71.87897	1.2
72.71064	1.0
74.05478	1.0
82.02959	1.4
87.36410	1.3
89.02413	3.1
101.02416	2.4
104.58091	1.2
111.72793	1.4
127.05139	1.8
145.34981	1.3
149.02408	1.3
151.03979	1.4
153.03001	5.6
164.04768	24.4
176.46559	1.3
178.06245	1.9
179.07120	100.0
196.99164	1.4
205.05025	10.3
209.06976	17.9
221.57333	1.4
224.09248	28.4
233.07095	1.5
234.07632	5.7
248.09216	8.1
269.45782	1.5
277.08218	7.2
291.09821	4.9
292.10654	30.0
307.13031	29.4
333.10934	2.8
384.55933	1.3
543.19537	6.2
561.20728	9.4
579.36389	1.6
679.28387	2.3
721.71234	1.4
723.26031	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62174	1.6
58.64138	2.1
59.01381	10.2
66.13523	2.0
78.00797	1.7
79.01933	2.1
85.52603	1.9
89.79051	2.2
93.22482	2.0
119.04998	2.3
123.08156	17.0
125.09682	15.3
133.06573	3.6
151.07620	28.0
169.08673	13.3
212.25574	2.3
213.07695	100.0
254.23888	2.2
269.08151	5.1
290.60367	2.6
295.06174	16.1
299.33765	2.2
344.01004	2.4
457.11456	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	723.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
58.96004	1.9
59.01376	100.0
60.92251	2.0
69.03439	4.6
71.01371	46.8
73.02935	86.3
73.03326	4.3
83.01386	19.4
85.02943	13.1
87.00826	2.6
89.02423	19.9
92.20007	4.7
93.03513	2.8
96.95978	4.4
97.02938	14.3
99.16982	2.3
101.02434	78.3
106.75609	2.5
113.02421	25.2
119.03492	4.8
125.02449	31.0
131.03459	4.8
136.01648	25.6
143.03467	9.7
149.04529	10.1
151.03993	68.4
161.04576	20.6
185.41447	2.4
203.05632	3.6
221.06648	13.4
238.38434	2.5
263.07709	20.2
295.09509	2.3
305.08871	11.8
306.22726	2.8
323.09967	10.2
357.13422	13.1
365.10855	68.0
624.41980	2.9
679.22430	2.6
723.24481	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	723.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	42.3
68.70621	2.7
69.58120	2.6
70.06046	2.3
71.01376	44.9
72.80772	2.6
73.02929	11.9
85.02942	6.1
87.00832	3.3
89.02427	100.0
91.60959	3.1
99.00879	3.2
101.02431	67.9
103.74516	3.5
105.54299	3.0
105.71377	2.8
110.11727	3.1
113.02406	30.8
119.03478	36.4
131.03493	4.3
132.63893	3.1
143.03502	4.4
161.04543	27.7
165.64499	2.9
179.05618	42.4
181.86804	3.1
221.06682	23.5
287.42410	3.2
323.09937	3.5
341.10886	75.1
383.11765	25.6
619.22418	3.3
679.24432	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	723.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
59.01377	19.0
71.01373	18.2
72.99307	4.7
73.02940	2.9
75.00862	29.6
85.02937	27.7
87.00863	9.5
89.02425	1.4
95.01375	1.8
99.00848	12.3
101.02431	7.2
112.01662	1.9
113.02444	29.1
115.00333	2.6
115.86839	1.2
117.01927	1.4
122.07510	1.2
125.02455	1.8
215.97061	1.3
239.26250	1.2
269.11847	19.3
281.11871	21.9
284.03445	1.7
299.05609	8.2
413.16257	8.8
425.16373	2.4
431.17126	22.7
443.17029	6.8
649.20874	5.3
661.21259	5.9
679.22546	100.0
723.30359	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	723.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84895	1.2
56.45704	1.3
59.01381	22.2
65.34759	1.4
71.01363	22.6
72.99295	13.3
73.02930	10.1
75.00859	18.5
83.01376	2.5
85.02940	26.6
87.00872	7.3
89.02455	11.2
95.01341	3.7
97.02914	2.0
99.00862	9.3
101.02431	10.8
103.00344	13.4
113.02426	40.6
117.01924	2.0
121.31443	1.8
129.01910	3.6
131.03471	9.0
133.01390	2.8
142.68340	1.5
151.07617	6.3
157.01424	1.9
175.02451	6.4
193.03526	21.5
235.04579	22.6
242.39075	1.8
264.05048	1.7
269.11761	6.4
281.11899	16.2
369.51279	2.0
379.08813	5.6
397.09845	18.3
431.16934	2.6
628.02368	1.8
677.50043	2.0
679.22424	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	722.319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10189	4.7
60.04865	5.1
61.98829	100.0
70.50163	4.9
72.62960	4.5
76.87538	5.6
83.14322	5.3
92.19983	15.4
95.61639	5.5
128.84036	7.1
349.07846	6.1
511.06598	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	723.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
63.77570	0.4
65.08196	0.4
71.01369	2.3
71.49568	0.4
79.14608	0.4
79.15069	0.4
85.62913	0.5
86.54295	0.5
89.02431	2.0
93.03437	4.0
101.02424	0.9
113.02454	1.0
127.29769	0.5
142.68524	0.4
145.02956	0.7
156.43515	0.4
161.02441	0.9
161.04498	0.6
162.16653	0.4
175.03973	9.8
181.06596	0.8
183.08139	0.9
189.01944	0.5
201.01942	5.6
207.08139	0.9
209.06172	0.8
223.07585	1.0
227.07123	1.0
250.06316	0.7
251.07135	36.3
253.05199	1.9
259.93039	0.5
267.06622	2.4
277.05069	2.1
293.04395	0.8
295.06119	100.0
355.39322	0.4
377.39087	0.5
466.21384	0.6
679.18530	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	722.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	21.9
71.01379	16.2
73.02935	9.8
73.43960	1.5
83.01375	7.5
85.02924	11.9
89.02453	1.8
98.42199	1.4
99.00874	3.2
101.01786	2.7
101.02435	53.2
113.02435	9.1
114.36346	1.4
130.06613	26.2
131.25755	1.3
154.09827	6.8
172.07689	3.4
200.07178	14.2
292.11932	23.6
328.42325	1.6
335.20804	3.1
336.10919	100.0
336.21121	5.7
690.45807	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	722.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68919	0.9
88.04030	2.2
98.09021	1.4
99.05625	1.4
121.02882	2.1
132.03032	8.9
135.04515	100.0
161.02390	5.9
192.95891	1.2
195.26218	1.5
199.83795	1.2
238.65550	1.6
291.17041	10.8
308.19724	1.7
334.17758	38.0
470.22992	67.8
471.22992	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	722.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29087	0.8
57.56115	0.8
59.01378	4.9
71.01373	16.7
72.88508	0.7
88.04031	1.9
89.02437	4.9
92.19349	1.4
94.67371	0.7
101.02428	5.0
113.02451	1.4
113.62630	0.7
116.03542	0.8
119.03493	3.5
135.04475	0.8
144.45879	0.8
146.08218	59.2
148.82886	0.8
161.02420	8.9
161.04498	1.3
163.11514	0.9
179.03470	5.4
184.15489	0.8
200.09291	1.5
263.11319	1.1
271.57709	0.7
308.13489	7.2
341.08875	3.5
362.14542	1.4
380.15616	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	722.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	10.8
59.01371	14.5
70.02963	8.2
71.01376	2.2
73.02950	12.3
83.01353	1.2
89.02419	1.3
91.05501	7.6
96.95959	1.9
101.02428	8.6
113.02425	1.7
147.04517	21.8
149.04591	1.1
161.04501	1.7
164.07173	92.5
206.08226	100.0
221.06654	3.8
250.07301	5.3
339.33582	1.1
604.34698	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	722.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85882	0.5
75.12614	0.6
78.19721	0.6
88.04046	0.9
106.95430	0.7
135.04518	24.0
146.08127	0.9
161.02428	89.4
162.26056	0.9
178.02684	0.9
179.03487	97.9
199.21823	0.8
323.07538	1.4
338.68759	0.8
341.08771	75.1
354.56842	0.7
443.95712	0.9
503.14087	100.0
652.53662	0.8
682.22186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	63.7
59.51421	1.7
71.01368	15.5
80.41199	1.5
82.30921	1.3
85.02928	1.5
89.02424	20.7
95.01362	1.8
96.02123	1.7
97.02926	2.9
101.02434	16.1
102.99381	1.5
105.50896	1.4
113.02423	9.4
114.02139	1.8
119.03474	7.4
204.00993	1.7
205.66772	1.7
391.97360	1.6
412.65530	1.5
437.30579	9.1
485.68884	1.5
497.32712	22.1
615.46777	1.7
721.38080	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	721.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71385	3.8
59.01379	44.0
70.04324	3.5
71.01371	24.0
73.02943	5.1
74.69162	3.5
85.02967	6.7
89.02415	7.6
97.38134	3.9
101.02434	28.0
113.02402	9.6
140.93819	3.6
160.41731	4.3
161.04573	4.5
320.09766	4.2
425.29816	4.1
449.58038	4.2
496.82385	5.7
677.33972	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	721.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36871	3.3
64.53392	3.1
71.95708	3.7
87.85735	3.7
96.95985	5.0
115.00352	20.0
116.46120	3.7
135.04514	24.3
136.04041	100.0
137.02406	7.6
164.07144	5.8
171.53102	3.8
199.69315	3.6
208.06169	5.2
215.30446	3.5
252.05109	67.7
332.16107	17.7
468.21246	20.3
469.21576	4.0
539.25104	3.8
579.94904	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	721.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70499	0.5
53.69906	0.5
56.78072	0.6
59.01369	0.6
69.67310	0.7
71.01366	1.0
75.00878	1.0
85.02921	1.1
87.00839	1.3
93.03460	0.8
96.96016	0.7
99.00867	0.8
99.64145	0.6
105.98032	0.5
107.05008	7.7
113.02438	2.8
121.02904	0.8
133.06569	4.9
135.04451	1.1
149.06062	21.8
155.23753	0.6
175.59578	0.5
177.05559	26.0
179.03490	51.3
191.36244	0.6
195.06653	4.6
221.04524	2.8
239.05608	100.0
333.34320	0.6
481.19144	7.6
562.58350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	38.2
65.02151	3.8
70.04148	3.1
71.01370	9.0
73.02934	32.5
74.02457	19.3
77.32274	3.2
83.01404	4.2
83.03478	3.5
85.02514	3.9
92.19890	5.4
101.02428	32.4
113.02430	6.2
116.03476	6.1
119.82925	4.3
121.10223	24.9
150.54384	3.9
201.10419	4.6
203.08290	45.0
245.09378	32.8
363.85721	4.1
387.16586	100.0
519.00848	3.9
649.24854	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	720.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
59.15985	1.4
60.96674	1.4
78.43587	1.3
83.12240	1.1
93.60043	1.2
102.45171	1.5
112.07684	13.0
129.10332	6.9
130.08696	15.9
133.23012	1.2
134.30682	1.3
159.84601	1.3
207.15030	6.1
210.88881	1.4
217.43610	1.2
221.28969	1.2
224.17656	2.3
225.16072	24.0
256.88467	1.3
320.23361	2.3
337.26279	5.2
338.24493	7.3
433.31558	2.2
450.34509	2.2
491.12244	1.3
651.95740	1.4
659.48395	5.7
677.49768	100.0
720.50366	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	719.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22313	0.6
53.06478	0.6
53.19285	0.6
59.01372	4.1
69.03436	1.1
71.01358	1.5
73.02929	0.8
83.05008	3.6
89.02435	3.0
94.15229	0.7
95.11648	0.6
95.52392	0.7
97.91051	0.7
100.78607	0.6
101.02429	4.3
109.89821	0.6
113.02408	2.9
120.73948	0.7
121.85426	0.7
125.09717	1.0
151.11287	1.7
161.09729	1.6
163.11342	1.1
165.12852	1.2
179.10786	7.3
181.25603	0.7
191.10841	1.1
197.11829	100.0
208.55138	0.8
209.11833	58.0
223.09761	1.3
227.12807	1.5
241.10866	6.3
253.09381	3.4
369.87491	0.7
488.43719	0.8
687.32361	35.7
719.35083	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06504	0.7
59.01382	32.0
60.00406	0.7
63.70335	0.7
70.54067	0.6
73.35655	0.8
74.65298	0.6
76.64355	0.8
90.90542	0.7
112.77085	0.7
153.96156	0.8
221.98882	0.9
227.10780	100.0
261.61954	0.8
283.13391	14.7
301.14447	3.9
395.76733	0.8
491.58649	0.8
511.24936	8.7
565.43060	0.9
585.28674	50.6
659.32178	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	719.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32663	0.9
57.03434	1.2
59.01371	22.3
71.01371	21.2
72.99296	4.6
73.02927	7.8
75.00855	19.5
77.95183	1.1
83.01346	1.6
84.93787	1.1
85.02943	21.5
87.00860	7.3
87.13231	1.2
89.02419	5.1
92.19344	1.5
95.01398	1.9
97.02922	1.5
99.00861	10.5
101.02448	10.8
103.00312	1.4
108.29919	1.2
113.02440	24.9
115.00355	2.5
129.01929	1.2
173.04483	2.3
175.02464	2.1
183.10330	2.9
211.13351	1.2
277.21667	9.5
279.23297	7.5
295.22684	4.9
439.27194	1.3
457.27982	2.3
499.28696	2.1
550.25623	1.3
669.15582	1.6
675.32324	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	719.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60042	1.3
58.02991	2.5
59.01370	10.2
60.85216	1.4
73.02902	2.4
73.98717	1.5
82.02958	1.8
83.01386	1.6
84.04551	2.9
85.31351	1.5
88.04005	10.8
98.02472	1.9
100.04031	25.0
101.02441	6.1
102.05596	17.8
111.84081	1.6
112.04031	2.7
116.07130	3.7
124.03996	17.7
128.03517	66.3
129.10324	4.2
136.04053	1.8
141.06674	1.6
142.05051	20.6
146.04607	13.9
149.06061	9.2
160.03621	2.0
160.06122	15.7
166.05057	3.6
170.88829	1.9
177.05539	9.4
179.03517	16.2
184.06100	6.6
202.07219	19.4
239.05603	39.2
245.11412	9.5
264.18970	1.8
303.47559	1.8
344.39877	2.0
345.12988	9.3
398.80911	1.9
548.20734	1.9
556.65442	1.9
590.22150	18.9
719.26343	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	719.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64956	1.0
53.18639	0.9
56.44125	1.0
59.94144	0.9
60.44642	1.0
63.72758	1.0
84.31567	1.1
89.02460	1.6
92.19339	1.7
105.20795	1.2
112.68073	1.4
134.13303	1.1
155.76416	1.3
187.05310	1.1
263.64413	1.3
270.67868	1.3
341.10754	1.5
346.16342	1.7
377.08548	100.0
412.10529	1.2
581.26154	1.2
632.00336	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	719.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47881	1.1
89.02429	7.7
108.77163	1.1
111.52414	1.2
217.08322	1.1
246.21031	1.4
320.44421	1.2
341.10873	5.1
377.08575	100.0
404.85947	1.3
422.60535	1.8
697.40710	1.6
709.79327	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	717.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56867	1.0
59.01375	100.0
66.71486	1.1
71.01367	16.4
73.02930	19.3
80.10065	1.2
83.01363	1.5
85.02929	5.6
89.02424	8.8
92.19370	1.8
101.02427	23.8
113.02397	8.1
125.02394	1.6
125.28481	1.2
143.03462	1.8
149.04451	2.0
161.04515	11.9
245.09268	2.9
283.11850	2.5
303.14389	4.9
325.12915	13.4
395.43661	1.5
595.78729	1.4
717.30084	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	717.296
Annotation	Visudyne
Peak:m/z	Relative Intensity
53.02373	1.6
53.31387	1.6
53.32634	1.3
60.26991	1.9
65.90794	1.9
74.47758	2.1
88.04034	16.5
92.19477	2.9
93.20932	1.7
96.95976	3.8
124.04000	4.2
126.05578	3.8
127.05090	7.3
128.03543	25.1
129.06693	10.4
142.05086	2.0
143.08261	4.7
155.08342	2.0
156.11392	4.2
159.07736	3.5
171.07686	4.1
202.07159	4.2
216.13478	4.3
225.08713	1.9
225.47214	1.8
227.06946	1.9
228.13553	3.9
238.11906	11.1
248.16420	2.0
256.12866	2.3
260.12503	4.5
282.10895	9.0
283.17532	2.5
298.19595	2.2
345.13174	2.9
457.19296	8.6
717.29474	100.0
731.17786	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	717.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56900	1.0
55.97064	1.2
59.01374	19.7
59.76873	1.3
63.93531	1.3
66.65479	1.1
71.01364	22.2
72.99305	2.7
73.02931	7.3
75.00862	14.5
83.01368	2.5
85.02933	21.7
85.87451	1.4
87.00885	9.2
89.02438	3.0
92.19363	1.6
95.01368	2.3
99.00867	8.8
101.02436	11.5
113.02427	26.3
115.00378	2.1
131.03458	2.7
173.04556	2.1
175.02478	1.7
183.10127	1.9
254.93933	1.3
275.20120	6.2
277.21716	2.2
293.21210	3.0
316.70154	1.4
386.94946	1.3
421.09830	1.4
455.26917	1.9
482.32397	1.5
497.27603	2.3
548.35492	1.5
673.30823	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	716.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81143	2.7
61.08367	3.1
61.98825	100.0
61.99127	5.5
65.84539	3.3
68.95982	3.2
82.41055	3.4
419.56036	3.9
634.82233	4.6
660.65839	4.6
739.90027	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	716.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
59.89252	1.8
61.98832	100.0
62.77787	1.6
74.59668	1.6
160.17418	1.8
227.94498	1.9
250.55116	1.8
376.35410	2.0
399.13815	2.3
656.38641	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	717.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80115	0.9
58.65230	1.0
59.01376	2.5
60.85000	0.9
63.28959	1.0
64.89496	1.1
68.12490	1.1
71.01401	1.8
71.90494	0.9
79.81106	1.0
82.81330	1.0
89.02435	1.3
94.55681	1.0
96.95992	15.2
101.02434	1.2
119.05028	1.0
145.02937	1.6
149.02417	5.0
161.02405	1.2
175.03894	8.0
193.01405	1.7
251.07147	16.4
253.05290	1.2
267.06595	1.9
269.08206	27.5
295.06107	100.0
355.08340	4.6
637.17627	2.2
717.13440	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62468	0.4
54.99491	0.6
59.01373	6.2
60.94017	0.6
71.01360	1.0
74.02477	2.5
76.05465	0.6
76.86889	0.5
86.99065	0.9
89.02435	0.6
101.02424	0.6
101.41847	0.6
116.03515	0.7
120.99636	7.4
153.05569	2.4
165.05530	1.3
166.06320	3.1
175.03998	0.9
177.01682	0.6
177.05548	1.1
192.04189	2.4
192.99588	2.3
195.06503	0.8
203.08173	4.9
207.01216	4.9
207.06604	19.0
208.01987	25.8
211.04367	2.8
222.03557	2.7
223.04338	100.0
225.07620	6.5
237.06055	0.7
240.04694	0.9
241.05391	16.0
245.09346	5.6
329.07010	6.8
403.10416	6.2
443.22922	0.6
491.12280	38.2
514.56219	0.6
529.13794	0.7
717.20642	20.8
717.33197	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	717.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
71.01382	13.9
73.02950	3.3
73.82211	1.2
82.03139	1.1
82.32974	1.2
85.02943	6.1
89.02467	2.2
95.93366	1.3
96.96007	25.0
101.02437	12.0
108.73663	1.5
110.34653	1.2
113.02454	12.5
113.95623	1.3
119.05013	11.0
123.68229	1.3
143.10754	2.2
161.04514	6.8
163.04024	14.6
170.23232	1.4
180.88385	1.4
251.07211	2.3
269.08221	5.7
287.14917	1.7
295.06024	18.1
305.16095	7.2
325.09070	2.4
335.68207	1.4
347.17130	67.3
355.08112	1.4
376.85745	1.4
469.35394	1.4
575.20758	2.4
717.13989	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	716.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.9
59.12397	2.4
63.16290	2.8
64.43572	2.6
71.01376	31.2
72.99290	5.0
73.02946	4.9
73.53300	2.9
75.00853	17.5
84.75053	2.7
85.02944	19.6
87.00866	7.3
89.02430	32.4
94.79060	2.8
95.01359	3.5
96.95972	4.4
99.00865	5.1
101.02425	24.6
102.05605	32.2
104.99670	3.0
108.02174	18.0
113.02438	29.8
117.01973	3.4
119.03487	13.1
123.04501	18.6
128.03535	94.7
131.03528	7.1
146.04585	96.9
152.01151	56.1
153.01469	18.6
153.79144	2.7
161.04570	6.9
164.07098	5.9
167.03481	96.7
168.03810	46.0
206.08276	3.0
221.06531	13.9
344.57224	3.4
446.66254	3.4
716.20410	51.5
716.27887	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	716.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04096	9.5
71.01369	18.8
76.73754	0.9
79.68516	1.0
82.04088	2.4
82.40211	1.0
84.05639	1.1
89.02426	0.9
97.02940	21.4
105.07111	1.2
122.09768	1.7
124.72405	1.0
125.06071	38.6
147.09206	3.5
149.06049	2.3
164.11899	6.5
166.08701	10.6
169.05013	4.3
202.68307	1.0
208.08957	1.6
208.10909	41.9
211.39026	0.9
252.09897	100.0
402.88791	1.1
415.20026	1.1
517.87622	1.1
592.60443	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	715.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34559	4.2
59.01378	100.0
60.68179	5.0
71.01382	54.0
73.02941	8.7
85.02924	10.7
89.02444	43.1
101.02399	35.6
113.02435	32.3
119.03488	7.3
137.19536	4.5
150.03223	5.8
157.00751	4.7
157.32855	4.7
162.26732	5.2
173.53929	5.1
222.18947	5.2
236.38649	5.3
245.83443	4.7
328.11142	5.9
408.55643	6.0
576.82513	5.9
611.34186	56.2
623.20728	5.2
629.35309	29.7
671.36615	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	716.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94080	0.8
52.58701	0.7
59.01384	9.7
86.99061	1.4
87.95398	0.9
89.02428	1.1
93.92436	0.9
98.56848	1.0
110.92831	0.9
120.01227	11.5
122.32146	0.9
126.69418	0.9
134.96034	0.9
151.04012	1.4
153.05568	1.6
165.05489	4.9
166.06345	5.9
174.90288	1.0
192.04272	3.5
192.99608	5.0
195.06586	0.9
205.07446	1.2
207.01231	5.4
207.06627	21.0
208.01988	29.2
220.09810	8.1
222.03481	2.0
223.04332	100.0
225.07718	14.6
241.05382	11.2
250.10864	1.0
271.11407	1.1
328.08603	9.0
345.08789	2.2
355.93973	1.1
392.17963	2.0
403.10663	11.3
433.15051	1.5
490.13901	26.3
554.16498	1.7
716.22070	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	716.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98699	1.3
55.54786	1.3
63.09504	1.9
66.07868	1.5
97.83405	1.6
98.99046	1.6
120.01235	100.0
130.22223	1.7
214.67497	1.5
241.82861	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	715.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14473	1.1
59.01381	16.7
62.83027	1.2
67.64000	1.2
71.01371	26.5
73.02934	6.6
77.16032	1.4
83.01395	2.4
85.02924	7.2
87.00875	1.7
89.02417	15.1
90.38098	1.3
91.52333	1.3
97.02905	1.9
99.00867	1.8
101.02427	20.7
105.83958	1.4
111.00860	1.6
113.02436	12.8
119.03501	2.2
125.02436	5.5
128.21326	1.5
131.03444	2.2
143.03503	3.0
146.43486	1.5
161.04517	2.7
211.17114	1.9
221.06570	2.5
229.18076	39.1
368.42819	1.4
373.22379	10.0
391.23370	70.5
464.92035	1.4
477.25906	1.6
542.89343	1.6
553.28412	2.5
671.31372	2.1
715.33881	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	715.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68100	2.0
59.01381	33.4
60.53159	2.3
64.13991	2.1
68.37991	2.4
71.01366	20.1
75.00859	28.1
85.02927	24.5
87.00855	5.0
89.02431	5.9
92.19979	5.1
99.00888	12.2
101.02427	13.8
104.04374	2.2
113.02431	51.0
115.00342	3.7
161.04439	3.7
163.51270	2.7
312.98807	2.6
472.20078	2.6
671.32941	100.0
715.31470	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	715.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39804	1.5
53.97671	1.8
59.01384	13.8
71.01370	17.1
73.02932	3.9
77.56572	1.7
83.01383	2.1
85.02933	4.2
87.00840	1.9
89.02423	11.0
101.02424	19.2
108.69120	1.8
113.02431	8.0
119.03483	4.2
125.02419	2.0
143.03511	2.2
161.04570	2.0
162.94128	1.8
179.03386	1.9
211.17099	2.1
221.06595	3.8
229.18074	30.1
270.30655	2.3
330.97153	2.0
373.22281	7.8
391.23386	73.6
439.67755	2.0
562.23621	1.9
700.33984	2.1
715.21552	4.4
715.33936	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	715.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76886	0.8
55.39650	0.7
59.01369	3.4
65.88189	0.8
71.01389	3.6
85.02917	2.0
85.12394	0.9
87.00840	1.0
89.02449	1.8
92.19339	1.9
101.02413	4.0
113.02445	2.2
116.92834	1.0
120.33292	0.9
135.04497	1.0
137.02377	1.5
151.03885	1.4
152.04791	11.6
154.56621	0.8
161.06068	1.2
163.03949	3.7
164.04852	1.7
179.03392	1.5
180.07899	11.8
181.04944	1.1
182.05907	1.9
190.06339	1.0
191.07214	1.4
192.07909	5.0
194.05774	7.7
194.09491	5.5
195.06563	8.2
209.08270	1.0
210.08946	4.4
212.06883	5.1
226.08405	4.7
314.11441	1.2
326.11481	1.3
329.14075	1.3
343.11862	5.4
346.14224	10.9
358.14191	17.9
361.16577	41.4
373.16568	22.2
376.15375	1.7
391.17636	100.0
422.44095	1.0
553.22931	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93581	2.1
55.01873	2.2
59.01376	59.3
60.66233	2.6
65.30883	2.4
65.59029	2.2
71.01371	57.7
73.02944	14.5
83.01366	10.9
85.02925	20.7
87.00885	8.4
89.02435	58.9
96.13546	3.0
96.95992	2.3
96.97533	2.5
97.02914	4.0
99.00858	4.3
101.02423	63.8
103.99546	2.7
111.00891	3.8
113.02442	36.5
119.03506	17.2
125.02415	17.2
141.65326	2.6
143.03456	10.5
153.09329	2.9
161.04538	16.5
221.06590	5.8
377.14648	11.9
455.98868	3.0
611.25958	5.0
629.26978	4.5
655.28198	100.0
671.27301	24.8
715.31024	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	88.7
61.06603	3.0
61.36180	3.3
62.56524	3.2
71.01376	100.0
72.07471	3.4
73.02929	30.0
73.26753	3.2
81.69498	3.8
83.01370	7.6
85.02954	36.9
87.00861	5.1
89.02426	82.0
90.89897	3.4
95.01421	3.9
97.02930	14.9
99.00917	5.4
101.02433	93.7
101.03023	6.9
111.00846	6.0
113.02414	56.1
119.03468	22.1
125.02426	20.2
131.03476	15.4
143.03514	15.1
143.10753	7.1
148.31375	3.7
160.45311	3.5
161.04521	31.8
165.05486	4.6
179.05614	6.4
203.05525	5.2
206.41382	3.7
208.41103	3.4
221.06642	14.9
245.06618	5.0
303.60678	3.5
323.09808	6.9
611.25671	63.5
629.26862	57.1
653.26831	4.0
671.27783	71.4
715.31714	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	715.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87786	1.5
59.01376	50.9
64.67175	1.7
68.99806	4.0
71.01372	44.1
73.02936	7.6
78.38642	1.8
82.73495	1.8
85.02953	17.0
87.00851	9.8
89.02428	39.0
95.01380	2.0
97.02954	2.4
99.00861	8.0
99.53460	2.0
101.02425	40.8
101.03034	3.5
102.81515	2.1
113.02458	20.0
116.92818	12.9
119.03476	10.4
123.04489	2.4
125.02420	12.8
137.02405	2.3
138.03200	4.6
143.03484	7.3
150.03210	3.6
153.01884	3.6
153.05556	16.4
161.04497	12.6
165.05560	10.3
176.01120	2.4
177.01927	4.0
180.04300	8.1
187.00764	2.0
191.03516	17.3
192.04288	4.2
193.01430	10.4
193.05008	3.4
195.06616	11.1
207.06593	30.2
208.03787	35.2
209.04495	4.4
221.06726	2.6
223.06122	61.6
225.07661	16.0
237.07712	4.5
267.08633	7.9
323.09991	2.3
328.30005	2.3
329.13953	3.5
331.15118	2.6
493.21518	2.3
509.16571	100.0
611.25659	45.0
629.26740	25.3
633.59979	2.1
671.27832	37.0
715.24780	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	715.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11411	2.7
59.81406	3.4
69.26657	3.3
72.98525	3.3
73.43243	3.0
85.02937	2.8
86.01756	3.4
92.19318	3.4
97.78027	3.3
99.00173	3.1
121.23202	3.5
122.89461	3.4
123.00839	15.5
136.01633	3.9
150.03239	13.2
159.99593	3.3
162.51361	3.7
165.05548	5.7
173.68513	3.2
180.04341	5.2
188.04759	11.3
191.07140	3.4
206.05876	7.7
221.08182	5.2
258.75690	3.5
301.10806	5.6
310.12186	7.7
311.09097	3.7
324.09970	4.5
331.11957	20.3
351.12491	3.7
354.11096	4.7
399.90585	3.2
463.17413	22.9
475.17685	13.0
493.18799	56.0
505.18689	14.0
523.19965	28.2
535.19989	7.6
553.20923	100.0
554.48694	3.3
715.26086	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.5
62.73452	1.9
62.74809	1.8
71.01372	2.2
75.53615	1.7
79.26918	1.9
107.87708	2.1
115.51485	2.4
122.03672	2.9
136.01605	8.1
149.02499	3.5
150.03198	50.7
151.04005	22.2
165.04208	4.5
165.05554	100.0
180.04266	5.3
195.06598	32.3
204.62300	2.3
207.99426	2.3
305.46173	2.3
357.13440	5.3
505.19287	3.0
534.04962	2.1
553.12256	3.2
553.20697	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31042	0.9
59.01377	29.0
63.99687	1.0
67.64975	1.1
72.04808	1.1
117.15766	1.1
120.30811	1.1
122.03711	4.7
149.02417	5.6
150.03207	74.1
156.51790	1.0
164.04727	2.3
165.05547	100.0
175.13548	1.0
175.46974	1.0
180.04279	8.5
193.61064	1.2
195.06627	40.6
200.60117	1.1
201.02565	2.4
214.15929	1.1
220.21422	1.2
253.74622	1.1
313.07156	4.6
351.08817	2.7
367.11768	1.4
411.10867	6.3
426.13281	2.5
441.15543	14.7
501.17758	21.7
565.20782	1.4
577.20526	5.5
625.22943	6.9
658.73444	1.2
697.25012	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10769	3.1
51.65977	3.6
59.01381	94.0
90.41856	3.6
99.01642	3.5
122.03713	4.0
143.39204	3.6
149.02393	8.5
150.03203	77.7
157.03461	4.0
163.29446	3.4
164.04787	5.2
164.20822	3.2
165.05548	100.0
191.22197	3.7
195.06601	25.3
201.02548	67.0
202.77238	3.2
220.06465	3.5
295.47040	4.3
411.10886	3.5
441.15421	7.4
461.12677	4.5
501.17538	21.6
577.20605	4.5
625.22852	15.7
649.23151	17.6
697.25018	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20211	0.3
57.03447	0.5
58.09918	0.4
58.17512	0.4
59.01377	100.0
64.69926	0.5
65.83430	0.4
69.03446	0.9
71.01373	22.8
73.02936	61.6
76.63679	0.4
83.01377	11.6
85.02942	3.5
87.00868	0.6
89.02421	10.1
95.01384	1.9
97.02952	1.0
99.00872	0.9
101.02431	51.2
104.52617	0.4
104.58398	0.4
113.02428	20.1
119.03542	5.2
119.05006	14.9
125.02461	1.9
129.57407	0.4
131.03476	3.6
143.03481	3.3
149.04535	10.7
155.03522	0.9
161.04543	20.6
163.03993	14.0
165.32999	0.4
171.67537	0.4
179.03571	0.6
188.91139	0.4
203.05643	2.5
221.06659	13.7
236.70097	0.4
239.05692	1.9
254.71588	0.5
303.14606	0.7
325.09192	3.4
345.15524	12.9
474.85974	0.5
519.69073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71833	1.5
55.01873	1.9
56.85637	1.8
57.03420	1.9
59.01381	45.5
71.01376	52.5
71.66463	1.6
72.99294	3.6
73.02924	10.5
75.00864	22.2
77.53044	2.0
78.14816	1.8
83.01379	3.5
85.02942	35.9
85.17847	1.7
87.00861	8.4
87.81257	1.6
89.02435	33.8
97.02919	6.3
99.00854	11.2
101.02438	35.7
111.00858	7.7
113.02431	44.3
119.03491	10.1
125.02427	10.1
129.01918	1.8
131.03462	3.2
132.04747	2.6
143.03493	3.8
149.02466	2.2
150.03203	11.4
151.03917	3.6
161.04543	11.3
165.05536	20.9
179.05626	2.7
181.08742	2.6
221.06601	9.8
245.06473	1.7
253.32246	1.8
263.07718	1.8
290.94922	2.0
314.11862	2.2
323.09851	4.2
329.14014	3.8
410.29282	2.0
491.19199	2.7
611.25629	35.3
629.26892	26.3
671.27930	27.8
715.24597	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	715.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	25.4
61.77537	1.0
68.99812	4.9
71.01373	17.9
72.01955	1.2
73.02933	2.5
83.01349	2.1
85.02943	7.9
87.00838	1.8
89.02434	12.9
97.02988	1.4
99.00852	6.4
101.02425	14.1
109.36799	1.3
113.02446	10.7
116.92825	6.8
119.03481	2.4
122.68655	1.3
123.04497	2.3
125.02411	6.7
131.59871	1.3
138.03178	7.1
139.03958	1.7
142.91029	1.3
143.03455	1.6
146.02173	1.3
153.01878	5.9
153.05571	20.8
161.04559	5.2
165.05629	9.8
168.04213	2.1
170.16286	1.5
176.01108	3.2
177.01912	6.1
177.05452	1.3
178.02734	2.2
180.04219	6.4
191.03516	18.3
192.04274	5.2
193.01402	7.4
193.05067	11.0
194.02257	1.6
194.05872	1.7
195.06566	8.4
207.06619	26.3
207.60045	1.3
208.03770	39.0
209.04596	2.5
210.05357	1.5
213.38177	1.5
218.21887	1.2
223.06126	51.5
224.06932	3.2
225.07690	11.2
237.07677	2.9
252.06366	3.2
267.08679	4.9
347.11478	1.7
366.60849	1.5
388.22800	1.6
391.17731	1.4
394.76175	1.3
493.19077	1.6
509.16632	100.0
509.46097	1.7
611.25488	17.0
629.26422	10.3
671.27832	15.2
715.24817	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	715.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71749	0.9
58.81435	1.0
59.01371	6.8
71.01373	10.9
72.99295	2.7
75.00865	15.1
78.26455	1.2
85.02934	10.0
87.00846	4.1
89.02430	4.1
95.01371	1.7
96.96017	4.4
97.02897	1.3
99.00834	6.1
101.02431	1.8
103.00320	1.5
108.02156	17.4
111.79372	1.0
113.02465	11.8
115.00314	1.9
116.92857	1.4
117.01891	2.0
123.04508	19.5
125.65376	1.4
129.02083	1.1
152.01140	52.2
153.01942	2.6
167.03488	100.0
177.11012	1.0
193.03485	2.4
207.08633	1.4
259.13754	1.2
443.99170	1.1
553.22803	1.8
695.70197	1.2
715.20947	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46396	0.7
71.81609	1.1
83.25690	1.0
84.80811	1.0
102.61869	1.0
116.92877	1.2
134.06107	1.2
139.87498	1.0
169.12306	1.6
181.12363	13.2
199.13402	100.0
247.14514	4.8
282.02206	1.1
351.72867	1.0
499.33041	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	713.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78610	0.7
54.67102	0.6
59.01384	0.7
71.01358	1.1
89.02422	1.0
101.02375	0.9
101.49413	0.7
123.08315	0.8
154.87456	0.8
167.10977	0.7
329.64606	0.8
533.55798	0.7
713.47437	100.0
737.57428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29310	1.2
57.36272	1.3
59.01374	38.8
65.41583	1.3
71.01368	17.4
73.02931	2.5
78.42390	1.4
83.18421	1.6
85.02951	2.3
87.00868	2.9
89.02429	32.6
97.02915	3.7
97.33210	1.5
101.02429	23.8
110.97327	1.5
113.02427	12.7
119.03463	7.1
125.02434	3.8
133.05032	2.7
135.88965	1.5
136.90338	1.5
143.03464	2.2
161.04515	2.9
179.05583	1.9
232.72163	1.5
235.08182	7.5
255.23277	100.0
316.43549	1.6
397.13480	66.6
415.14319	17.0
432.72955	1.6
472.29865	1.7
653.37738	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35503	1.6
57.48577	1.3
59.01376	34.0
60.46867	1.4
61.94332	1.5
70.87482	1.7
71.01373	19.9
75.48251	1.6
85.02983	1.7
87.00851	2.6
89.02435	28.6
97.02946	2.1
101.02432	21.7
113.02426	12.1
119.03472	3.7
125.02405	8.3
125.45411	1.7
133.05066	1.7
143.03471	1.7
161.04568	2.8
208.88057	1.8
235.08234	6.5
247.09695	1.5
255.23294	100.0
255.25975	3.6
305.32953	1.8
397.13525	75.3
415.14600	19.2
431.52405	2.0
653.37567	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	54.8
71.01366	33.9
73.02930	14.0
75.00863	4.8
81.34693	3.2
83.01390	5.2
85.02954	18.2
99.00844	5.6
101.02441	37.1
113.02431	22.2
136.20929	3.5
161.04526	5.7
280.90363	4.2
282.07220	4.0
294.05109	3.4
306.63376	3.6
308.10519	3.4
332.53442	3.8
387.23688	3.8
440.33832	4.0
533.18201	5.9
551.19421	13.4
669.33490	100.0
713.36731	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	713.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02256	1.3
59.01377	43.5
67.51346	1.4
68.59293	1.6
69.73521	1.5
71.01363	22.1
73.02937	10.8
75.00859	1.9
78.09424	1.4
83.01362	7.4
85.02929	12.0
89.02419	7.0
96.95982	2.3
97.02924	2.1
99.00873	3.8
101.02424	26.6
113.02444	17.5
119.03446	1.8
125.02425	1.8
150.13609	1.6
159.02936	1.9
161.04504	2.6
176.95496	1.8
194.58253	2.0
216.11589	1.8
243.19675	4.0
288.03455	1.9
405.24890	8.4
532.49481	1.9
555.04950	1.7
651.31891	2.3
669.33490	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	713.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29044	0.8
52.83454	0.8
53.67549	0.7
57.38575	0.9
59.01366	2.2
60.86800	0.9
72.64471	1.0
73.35633	0.9
77.40013	0.9
113.02471	1.4
121.06570	39.8
121.07442	1.3
126.47940	1.0
147.04491	6.6
148.41040	1.1
165.05556	100.0
233.28479	1.1
279.06525	1.3
305.04749	1.3
327.10873	43.9
393.14404	1.9
533.63965	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	713.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59166	0.5
55.58001	0.5
59.01378	46.9
60.45689	0.5
61.00770	0.6
65.43352	0.6
71.01376	5.2
73.02937	2.8
83.01370	0.6
85.02921	0.9
89.02425	4.1
101.02433	6.6
101.33423	0.5
113.02436	3.5
119.03523	1.9
121.06579	32.1
143.03458	0.7
147.04485	5.1
149.04501	0.7
150.51480	0.6
151.70781	0.6
161.04509	2.6
165.05551	100.0
179.05486	0.8
221.06560	0.6
235.11836	2.2
239.05899	1.2
277.12708	1.0
277.47366	0.6
327.10867	40.9
347.17194	10.8
514.70502	0.8
565.91833	0.6
723.46332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	32.9
62.72204	1.7
71.01378	29.4
72.29346	2.2
73.02927	2.7
79.56221	2.1
83.01357	4.3
85.02930	8.7
87.00837	3.7
89.02428	30.0
99.00835	2.7
101.02437	26.9
113.02438	22.3
114.87375	2.5
116.95119	2.1
119.03487	9.5
123.04415	2.1
129.61298	2.1
131.03487	2.8
152.01131	2.2
161.04526	11.4
167.03468	10.8
179.05661	5.8
179.07103	58.0
221.06622	11.8
341.89554	2.3
373.50015	2.7
551.20990	3.0
615.63416	3.0
713.26648	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	713.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.6
59.01380	28.9
71.01369	29.1
73.02948	3.4
84.35940	1.9
85.02940	7.3
87.00855	8.0
89.02424	38.6
95.01400	2.4
99.00920	1.9
101.02427	33.5
101.61245	1.7
111.33311	1.9
113.02404	24.3
119.03467	16.3
131.03473	10.4
134.96455	1.8
139.00392	3.6
143.03537	2.5
146.21315	2.2
148.54402	1.8
161.04547	20.6
167.57756	2.3
179.05626	8.1
193.24779	2.1
213.91301	1.8
221.06636	19.1
317.10315	6.9
347.11389	3.4
368.70193	1.9
435.71503	1.9
713.28949	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	713.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	48.4
61.97064	2.9
71.01379	30.6
86.63825	3.2
87.00844	3.8
89.02423	49.1
90.76936	3.0
101.02441	13.1
108.14627	3.0
108.59666	3.6
112.97755	3.4
113.02420	21.5
119.03478	14.8
127.20792	3.0
130.25201	2.8
135.04323	3.0
153.15854	3.3
161.04634	4.0
179.03581	3.6
179.05588	32.2
191.04417	2.9
239.05602	19.8
285.11362	13.3
299.12872	6.4
313.10785	3.4
325.10858	5.3
326.11682	4.3
341.06531	3.5
341.10303	100.0
356.12735	59.4
369.60516	4.2
371.14969	80.6
461.18170	30.2
473.18088	5.3
491.19257	16.8
551.21411	4.5
597.04401	3.5
713.22589	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	713.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74156	0.5
59.01375	3.9
61.62969	0.5
65.29493	0.5
66.04644	0.4
66.46474	0.4
70.58664	0.5
71.01357	2.1
73.02956	0.7
83.94205	0.5
85.02913	1.0
89.02433	2.3
92.19317	0.6
93.03451	1.3
94.00872	0.5
101.02411	3.9
101.38150	0.6
108.02158	16.6
109.11056	0.5
113.02435	2.0
115.05791	0.5
118.73161	0.5
119.03465	0.7
123.04504	18.3
137.02402	2.5
152.01135	52.0
161.04495	0.6
167.03479	100.0
179.05566	0.6
179.07085	2.5
427.98743	0.6
539.17645	2.5
713.22992	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72495	1.4
55.74603	1.7
57.71925	1.6
77.23550	1.8
81.03440	4.4
83.01357	2.1
85.02947	8.0
109.02949	2.0
111.04466	2.9
112.75725	1.8
123.04507	14.2
125.02437	23.5
129.01868	1.9
135.04553	3.5
137.02434	9.1
153.05531	3.4
165.05653	2.0
167.03482	53.3
179.03494	15.6
197.04552	29.7
198.19113	1.9
209.04547	100.0
221.04622	5.8
239.05605	99.2
251.05598	3.9
263.05679	2.5
269.06656	47.8
272.29132	1.8
281.06705	7.7
293.06604	2.5
299.07666	9.9
329.08722	3.2
369.08133	3.4
389.10895	6.7
533.12952	9.3
563.14160	8.4
593.15356	3.2
623.16290	33.2
638.40863	2.0
653.16846	8.1
713.19342	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24509	2.6
57.03437	17.5
83.01372	4.4
85.02941	100.0
93.03413	5.6
94.71092	3.0
96.96000	4.1
98.34553	2.9
101.02431	4.5
108.48315	2.7
111.00869	21.5
119.05042	2.8
129.01927	39.6
132.81064	3.0
137.02435	46.3
163.03996	18.8
167.15488	2.6
181.05099	4.8
205.03496	24.8
223.04558	31.8
259.90591	2.9
299.07751	6.1
338.09637	3.1
354.09433	3.1
369.08279	62.3
375.59872	3.1
414.98618	3.2
718.34149	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	712.309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04521	0.9
51.44589	0.7
54.47790	0.8
54.57231	0.8
58.40718	0.8
69.95943	0.9
72.46839	0.9
85.96436	0.9
87.00859	1.7
93.34700	1.1
94.60257	1.1
107.05019	8.2
121.02908	2.2
133.06566	4.5
135.04512	3.8
137.02411	1.1
149.06055	20.5
177.05559	26.8
179.01930	1.8
179.03490	50.9
195.06607	5.5
239.05615	100.0
308.19852	12.0
335.83322	1.1
350.20810	8.2
472.24496	51.8
569.27783	1.0
647.11908	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	712.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15192	6.2
57.40242	6.0
65.21078	6.5
73.97775	7.8
75.91476	7.7
88.67007	6.8
124.25682	7.7
133.90823	8.3
238.91537	7.7
241.09885	11.8
299.77594	7.2
301.11926	74.1
319.12863	31.1
362.18793	11.9
363.08917	9.0
423.63235	7.6
466.32422	9.0
619.28143	9.6
649.28888	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	711.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01068	1.4
59.01384	8.5
61.17068	1.3
65.68981	1.5
71.01382	6.6
73.02933	1.8
82.04098	15.7
85.02950	1.6
89.02430	3.4
95.18415	1.4
101.02399	2.4
113.02420	2.7
122.50589	1.7
141.09207	38.3
165.31317	1.7
195.12497	12.5
234.02827	2.0
244.48460	1.9
337.22473	100.0
341.35751	1.6
345.72061	1.6
373.20035	8.8
667.31982	7.8
711.31067	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	711.3449
Annotation	Cyclomontanin D
Peak:m/z	Relative Intensity
52.98375	1.3
57.03437	1.9
59.01376	39.5
71.01368	23.0
72.99280	2.6
73.02929	3.5
75.00861	16.4
83.01350	1.9
85.02931	29.8
87.00848	7.1
89.02427	9.0
99.00866	8.3
100.69219	1.3
101.02426	17.2
113.02435	33.5
119.03468	2.0
122.50824	1.5
129.01868	1.8
130.08688	1.8
161.04593	1.8
175.02490	2.1
175.05142	3.5
244.09761	1.6
277.21661	3.2
295.23135	1.6
535.31525	5.3
635.27472	1.6
711.34631	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	711.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54454	4.2
59.01374	77.6
60.14841	3.9
66.04714	4.7
71.01373	30.2
73.02936	28.8
81.13837	5.1
83.01364	10.0
85.02926	24.2
89.02444	20.4
95.81405	6.4
101.02427	61.6
109.52299	5.3
113.02425	22.9
122.87611	5.3
135.04367	5.0
244.65782	5.4
266.44370	5.0
301.21829	81.7
333.05389	5.5
354.81982	7.0
445.33206	49.4
463.27332	7.1
625.39923	11.8
667.32703	70.6
667.40833	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	711.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42513	1.8
56.47594	1.8
57.23244	1.8
58.02974	4.7
59.01380	17.5
70.02975	9.8
71.01378	3.0
73.02950	2.5
73.19146	2.3
74.02468	31.1
85.02931	3.9
86.51447	2.4
89.02443	1.7
92.19349	6.0
98.02457	8.5
101.02427	4.3
102.43795	2.2
113.02399	4.2
116.03518	23.3
116.05030	9.3
119.03436	2.4
138.47496	2.0
185.92549	2.2
201.10391	3.8
203.06445	3.6
203.08258	70.4
217.67816	2.1
224.42169	2.0
231.63663	2.3
245.09311	100.0
254.19708	2.2
289.08160	2.5
302.90991	2.3
475.30850	2.4
532.92938	2.4
553.30981	2.7
653.35449	9.4
667.31744	2.4
711.38495	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46664	1.2
53.49887	1.1
59.01376	100.0
67.07687	1.2
71.01362	8.8
72.21397	1.4
72.26421	1.2
73.02943	6.0
83.01369	1.4
85.02961	2.8
87.00858	3.3
89.02422	2.0
92.19347	2.8
96.95978	3.3
101.02436	13.8
111.00848	6.3
113.02417	8.5
123.04487	2.9
132.96054	1.2
137.15259	1.4
150.00525	1.4
152.01120	7.3
159.02997	1.6
161.04533	13.0
167.03493	28.9
191.01985	2.5
193.04979	1.5
221.10295	40.6
255.04984	1.7
263.11322	39.3
275.49368	1.5
319.47229	1.6
320.52014	1.9
373.11285	1.5
403.12354	14.9
486.05588	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	711.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76479	0.6
56.49333	0.7
57.03442	4.4
59.01368	6.5
59.05251	0.6
71.01379	1.8
76.45707	0.6
82.03382	0.7
83.01388	1.1
85.02939	24.9
89.02426	4.2
93.03468	0.7
96.95982	4.3
97.03010	0.7
98.95596	1.2
101.02434	3.3
111.00880	9.1
113.02437	0.9
119.05000	100.0
129.01930	9.4
137.02420	1.3
144.49301	0.8
153.03644	0.7
163.03995	45.6
186.95139	0.8
188.03032	0.8
205.03563	7.9
223.04533	10.7
311.01752	0.9
325.09305	37.8
369.08276	18.9
742.17072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30468	2.2
57.03432	10.3
70.86178	1.9
71.01363	4.0
72.00897	11.6
74.02473	9.3
82.72269	2.1
83.01355	2.9
85.02930	74.3
93.03449	19.2
100.00397	98.5
100.04027	3.3
101.02430	3.4
102.57874	2.0
111.00900	27.1
118.05090	100.0
119.05065	2.6
129.01900	27.1
137.02426	88.1
144.03017	56.4
160.02541	2.8
161.04675	2.5
163.03978	7.8
189.63005	2.1
205.03568	18.1
223.04550	28.7
252.68481	2.1
294.94089	2.2
299.07639	10.0
369.08337	48.7
374.00082	2.4
399.53406	2.5
411.12680	75.3
446.33182	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	711.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66239	4.6
59.01376	69.0
60.05082	3.8
71.01371	69.4
73.02924	8.8
83.01382	4.2
85.02933	27.0
87.00847	18.5
89.02438	62.3
96.95979	6.5
97.02955	6.6
99.00851	6.2
101.02438	67.9
111.00863	5.9
113.02439	33.5
119.03465	24.6
119.26826	4.7
119.36368	3.9
123.00846	17.7
124.01624	10.3
125.02427	22.7
138.03212	32.9
139.04005	36.6
139.90448	4.7
143.03468	9.3
161.04532	17.9
221.06798	6.0
243.04958	10.1
403.57678	5.6
607.18616	40.7
625.19897	41.8
667.20770	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	710.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32198	0.6
61.48994	0.7
63.66974	0.7
64.77887	0.6
65.90477	0.6
70.02920	0.6
77.81689	0.8
87.00851	3.1
90.67175	0.6
100.95587	0.8
102.22219	0.7
107.05014	12.6
112.82307	0.7
118.19410	0.8
121.02939	2.8
123.21256	0.7
133.06613	5.8
135.04517	36.9
149.06073	28.0
158.30269	0.7
161.02374	1.4
177.04117	1.3
177.05563	28.0
179.03485	62.9
189.94096	0.8
195.06648	5.3
212.92546	0.8
221.04565	3.0
239.05609	100.0
291.17175	4.6
308.19855	1.2
334.17761	16.9
376.92896	0.8
470.23004	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00589	1.2
56.71776	1.4
60.63881	1.2
61.84702	1.4
63.41445	1.2
64.61760	1.3
72.99296	36.5
75.01540	1.2
76.05756	1.3
87.50063	1.4
89.02444	1.3
93.37699	1.5
112.13431	1.4
113.77312	1.5
120.01216	9.2
135.04469	1.6
146.06149	2.8
182.04407	1.7
183.05315	2.5
212.10658	1.5
212.99490	1.6
227.08270	17.3
241.09804	9.4
242.10509	20.8
243.11308	2.9
255.11380	100.0
256.12057	2.1
257.12933	2.9
267.11292	7.8
269.12930	5.7
330.12186	3.3
378.17816	2.4
710.28613	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76028	0.7
59.01364	1.1
60.62913	0.8
62.06089	0.9
72.25640	0.9
72.99300	23.0
79.45545	0.8
92.19340	1.6
113.02457	1.2
120.01229	17.5
122.06091	1.4
124.03986	1.0
146.06071	2.0
183.05342	14.4
223.29799	0.8
227.08209	8.2
241.09799	5.8
242.10593	11.6
243.11424	1.5
255.11395	57.9
256.12256	4.5
257.12894	3.3
258.13727	1.2
259.14511	7.6
267.11407	8.7
268.12299	2.1
269.12881	4.6
283.36295	1.0
330.12268	4.4
330.32385	1.0
380.20029	1.8
392.19522	2.1
424.14545	1.0
493.92242	1.0
710.28699	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	709.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64839	6.1
59.01371	28.7
62.83730	6.1
71.01355	8.0
74.08091	7.0
96.22815	6.5
101.02415	10.9
130.26852	8.3
132.81972	7.0
286.91122	7.2
400.98529	8.0
443.31555	39.0
556.26331	7.2
623.37561	10.9
665.39215	100.0
688.63641	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	710.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96989	1.0
64.19355	0.9
67.17762	0.9
71.01373	1.0
72.00904	9.1
83.41410	1.1
84.43171	1.0
99.00855	11.4
99.28497	1.2
100.97841	1.1
106.13320	1.2
111.00839	2.0
112.98785	24.3
123.00865	1.4
142.99858	6.0
145.01398	2.0
146.08203	1.4
147.04514	46.1
164.07167	100.0
168.56355	1.0
173.00903	32.8
174.01643	7.5
176.04793	1.2
178.06242	1.2
193.08661	5.6
206.05804	1.5
247.02426	1.3
262.04794	8.9
265.07248	2.3
275.87643	1.2
277.07059	12.6
335.06250	4.8
337.09302	8.4
383.09787	10.0
409.39047	1.2
545.14960	1.4
554.03247	1.2
616.90790	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	709.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	63.3
71.01359	17.2
89.02441	23.0
92.19417	20.5
96.78675	12.0
113.02422	14.9
177.55734	11.6
180.50578	12.0
197.25443	11.7
249.72543	11.0
250.38850	11.2
251.20152	100.0
397.13507	77.5
415.14325	16.7
473.01865	12.4
551.27069	16.0
611.62354	11.9
649.33899	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	709.381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.8
60.45682	1.0
66.08936	0.8
71.05007	1.0
127.14778	1.0
258.11032	1.1
379.30200	1.1
405.27975	1.0
407.29691	3.8
427.28604	1.6
469.29572	15.9
487.30710	100.0
649.35632	6.5
665.33960	4.4
693.76801	1.1
705.35590	1.1
709.38446	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	709.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.97009	6.4
66.02324	5.6
106.58709	6.2
128.40558	6.1
176.23094	6.4
202.27948	6.5
214.09744	6.7
259.36917	6.9
393.27017	7.1
411.14798	45.8
528.02362	7.7
602.29810	6.9
690.30579	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	709.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81349	3.6
59.01375	26.3
61.78854	4.0
66.61775	3.8
71.01376	23.1
73.02933	7.2
74.51129	4.0
75.00845	16.6
75.23061	4.4
85.02931	23.9
85.33753	5.0
89.02435	18.7
99.00854	11.2
101.02390	7.3
101.29564	5.3
113.02432	24.4
125.02433	5.7
126.03816	5.3
227.52730	4.1
269.11890	40.1
281.11816	16.5
333.77374	5.5
413.16049	36.1
431.17044	93.7
443.16852	18.3
448.24149	4.7
610.25262	4.9
625.72839	6.3
635.23425	100.0
647.23602	23.2
665.25128	6.7
709.22992	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53184	0.8
54.23657	0.7
55.85394	1.0
59.01381	7.5
71.01389	2.1
75.37940	0.8
76.52247	0.9
78.95898	5.3
80.94099	1.0
85.02925	2.0
87.45148	0.8
96.95994	100.0
96.96886	7.9
101.02427	4.0
110.83512	0.9
113.02429	3.9
125.02403	1.1
141.83704	0.9
150.22897	0.9
195.06618	1.1
203.08264	1.3
208.03870	1.7
223.06148	3.6
245.09290	3.5
269.11816	14.6
273.13705	0.9
281.11755	10.2
346.18002	1.0
366.28345	1.0
382.40018	1.1
413.15997	13.2
425.15881	1.9
431.17059	39.9
443.17178	8.3
449.14792	1.1
461.17700	1.6
473.18173	20.6
485.18063	3.7
492.17722	1.0
503.19138	13.9
508.33264	0.9
536.05524	1.0
594.68451	1.0
611.19537	1.2
709.19464	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	709.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
66.57894	1.8
71.01370	29.2
73.02938	72.6
78.17832	1.7
78.95924	2.9
79.71133	1.6
83.01372	11.5
85.02941	9.1
87.00828	1.6
89.02440	24.9
93.25449	1.7
93.29175	1.8
94.61522	1.8
94.98083	2.6
95.01405	2.8
96.95988	10.6
99.00842	2.4
101.02434	68.5
101.30250	1.7
102.80972	1.7
106.22279	1.7
113.02444	33.7
114.42620	1.9
119.03458	14.0
131.03488	3.7
143.03551	7.1
149.04524	16.8
151.07626	17.7
161.04543	39.4
179.05602	13.1
209.42487	1.6
221.06697	35.7
224.30748	1.8
281.11829	62.0
299.35690	2.0
410.25684	2.2
503.19247	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	709.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51329	1.9
53.26981	1.8
59.01375	37.1
66.34542	1.9
71.01368	43.1
73.02941	8.6
80.48895	2.3
85.02951	9.5
86.86067	2.1
87.00883	3.6
89.02428	32.7
96.95969	5.5
97.02926	8.7
97.72840	2.3
101.02433	35.8
111.00846	2.3
113.02419	22.4
119.03456	12.1
125.02415	8.8
131.03487	4.2
136.05286	47.8
136.72144	2.3
137.06062	24.6
143.03468	4.5
161.04536	13.3
179.05675	3.3
179.07167	3.3
221.06783	7.7
605.20605	15.5
609.55548	2.8
623.21899	18.3
665.23016	100.0
709.28839	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	709.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52854	1.0
54.23317	1.4
57.03430	1.4
59.01380	42.2
65.49971	1.4
66.83418	1.2
67.16415	1.3
71.01379	43.4
73.02957	11.5
75.81259	1.3
76.03085	1.2
79.48699	1.3
80.40308	1.4
83.01362	2.3
85.02959	12.4
87.00872	3.5
89.02440	35.9
93.03427	1.7
93.47036	1.4
95.01363	1.4
96.95992	3.5
97.02928	6.9
99.00858	3.2
101.02438	45.0
111.00880	2.2
113.02425	24.9
119.03491	15.7
119.04903	1.4
121.02905	1.9
125.02439	10.8
131.03487	8.1
136.05295	22.4
136.38412	1.6
137.02460	3.2
137.06059	29.9
143.03474	7.4
153.02342	1.5
154.69237	1.4
161.04581	13.0
179.05725	2.0
179.07172	2.5
221.06651	7.0
222.84575	1.3
245.06454	2.5
277.63992	1.5
289.01514	1.4
340.16953	1.4
531.05493	1.5
605.20917	22.8
623.21899	23.4
628.27307	1.8
665.23077	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	709.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76965	2.3
59.01375	15.1
71.01355	11.0
71.30404	2.7
75.00871	6.3
78.34794	2.8
81.28943	2.7
85.02949	13.5
89.02431	3.0
93.03433	18.0
96.95995	100.0
113.02406	16.5
137.02419	3.4
145.80650	2.3
165.05562	3.4
179.03500	3.0
185.16776	3.2
211.07664	46.7
217.15250	2.8
223.07710	33.7
235.04678	3.2
255.06647	80.2
267.06610	45.8
285.07385	4.0
397.09772	5.7
485.95313	3.1
632.51569	3.2
665.17279	84.2
665.27380	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	709.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12643	1.1
57.29567	1.0
60.20106	1.0
85.02928	1.8
96.95993	100.0
112.74290	1.3
122.60032	1.3
125.02412	2.4
131.23149	1.2
138.34419	1.2
167.03481	7.4
197.04556	1.7
209.04503	27.1
239.05603	19.0
269.06613	5.8
491.12134	4.1
550.37952	1.3
611.16138	30.0
678.12299	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	707.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63310	6.8
58.31700	7.8
59.01373	53.0
71.01372	35.6
73.02885	9.5
79.57094	7.1
82.44822	8.0
85.02952	9.2
89.02408	18.9
101.02441	40.7
113.02444	14.2
116.74617	7.9
119.03483	11.5
134.16212	8.3
141.11107	7.8
148.13976	7.5
155.17653	11.0
235.08351	12.0
249.18536	98.0
311.81387	9.7
335.93250	8.5
356.00287	8.2
397.13513	100.0
647.32813	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	707.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.3
66.18355	1.1
71.01372	8.7
73.02940	19.2
73.11279	1.2
83.01369	3.1
85.02927	1.9
89.02460	3.1
101.02432	15.9
105.64591	1.2
113.02457	5.1
119.03532	1.3
131.03477	1.5
143.03618	1.3
189.69713	1.3
236.21115	1.2
295.20645	1.7
441.30121	39.0
459.31110	3.1
473.22427	1.3
603.35553	1.7
621.36560	16.4
663.37518	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	707.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62010	14.7
59.01369	65.4
63.14196	12.1
71.01383	26.5
89.02428	31.1
101.02453	20.9
108.79784	15.0
120.88883	18.5
190.70221	16.1
241.01225	16.4
249.18602	82.0
383.62836	15.6
397.13455	100.0
408.41739	15.0
415.14282	18.4
415.38016	15.3
647.32422	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93359	0.8
59.01374	100.0
60.36827	0.7
71.01358	10.6
73.02932	4.3
83.01376	1.9
85.02935	4.6
89.02455	1.7
99.00853	1.1
101.02430	17.1
102.70907	0.9
103.96603	0.9
104.91972	0.8
105.53821	0.9
113.02447	8.6
153.09229	2.1
159.02942	3.4
161.04538	10.5
205.12296	1.6
211.80217	1.0
228.22725	1.0
235.11847	32.9
277.12906	40.0
315.17426	0.9
321.11899	1.0
385.18698	6.8
494.31357	1.0
589.95953	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	707.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22995	1.7
61.16947	1.7
65.63126	2.1
93.03474	1.9
94.21495	1.8
96.95968	15.0
107.05016	9.4
133.06540	3.3
149.06055	17.2
177.05577	25.5
179.03496	44.6
195.06639	2.3
239.03152	3.7
239.05608	100.0
270.76382	1.7
295.49567	2.0
466.69189	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	707.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76137	2.2
52.39487	1.8
55.31656	2.0
55.90492	2.0
65.90124	1.9
68.70426	2.2
79.80929	2.2
79.83653	2.3
82.84207	2.0
87.00859	13.9
101.23769	2.2
105.01877	3.7
119.04997	21.0
163.04002	100.0
209.36201	2.8
239.61105	2.4
251.14000	37.8
276.13538	34.9
277.56866	2.5
293.16217	52.0
315.38113	2.2
336.27103	2.3
380.52118	2.3
382.31512	2.2
413.10947	41.0
490.07483	2.8
534.12878	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	707.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27071	0.7
78.95864	1.3
79.95741	1.2
96.95996	100.0
96.96992	4.5
111.81609	0.6
121.19505	0.6
124.03993	0.6
148.89412	0.7
220.55525	0.7
240.72925	0.6
266.66422	0.8
273.01691	0.7
325.26770	0.7
473.78177	0.7
707.23834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87645	1.3
58.39575	1.2
74.86498	1.5
92.31665	1.7
113.93971	1.9
147.04517	7.4
148.16534	1.6
164.07158	3.2
225.11261	2.9
230.89728	1.5
243.12358	3.7
245.10547	3.0
302.36639	1.7
314.18622	2.5
365.09131	1.6
447.21631	33.5
462.24036	100.0
477.01144	1.9
522.41071	1.5
606.96967	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	707.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00861	100.0
92.23064	0.7
93.03439	4.8
95.15404	0.7
96.95956	1.0
109.02933	1.0
111.04498	13.5
126.15999	0.7
137.02417	0.9
179.71632	0.8
243.05061	21.9
283.47769	0.7
617.08319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53383	0.5
55.83640	0.6
61.36687	0.6
75.26716	0.6
78.35413	0.6
80.90673	0.6
87.00864	2.4
100.45428	0.7
107.05011	9.3
121.02912	1.1
124.86006	0.6
133.06584	4.0
135.04504	1.3
149.06067	20.1
177.05547	27.9
179.03493	52.2
195.06560	3.9
221.04512	3.0
239.05603	100.0
241.05168	0.6
248.50334	0.6
345.63721	0.7
384.40231	0.7
393.14493	0.7
466.19806	24.9
523.24377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89273	1.4
53.19478	1.0
54.62018	0.9
59.01362	3.0
61.55674	1.2
63.95720	1.2
64.57166	1.1
66.27142	1.3
71.01373	11.4
82.04138	1.7
88.93515	1.2
89.02451	2.7
89.69093	1.2
96.95984	7.1
101.02388	2.3
113.02442	2.7
121.05797	1.5
123.08131	1.4
141.09204	80.0
141.10301	2.6
153.11502	4.0
157.08746	1.4
209.83093	1.5
214.04642	1.3
295.21387	100.0
353.21936	3.1
385.49792	1.5
402.84183	1.6
409.17188	16.1
449.97046	1.6
617.16290	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	705.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97982	3.0
59.01377	22.9
64.92584	2.9
71.01373	6.5
71.76891	2.8
73.02901	2.7
77.71734	2.4
83.34184	2.3
85.02955	5.1
87.00844	4.2
89.02434	4.4
96.96005	5.8
99.00878	14.5
101.02406	13.3
113.02409	13.3
116.92841	3.6
128.09566	2.7
147.07950	2.8
151.11346	3.9
161.09758	5.1
163.11218	4.5
179.10728	10.8
181.12335	5.1
197.11819	79.8
199.13321	6.0
201.11299	33.4
207.10185	14.5
209.11807	44.0
215.93665	3.4
225.11310	29.5
227.12807	3.5
239.11844	2.8
243.12360	17.3
315.65036	3.1
378.29791	3.0
661.35437	22.8
687.32184	16.6
705.21582	4.6
705.33331	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	705.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66636	1.0
58.02974	4.4
63.81182	0.9
70.02957	8.9
71.01385	4.1
72.04550	1.2
74.02464	34.9
88.12408	0.9
98.02456	7.8
115.00345	4.1
116.03510	18.2
116.05032	12.5
120.86559	0.9
142.06604	1.5
159.09193	4.3
201.10312	6.7
203.08267	85.8
245.09305	100.0
285.15955	1.2
289.08453	4.1
415.18680	1.7
461.99680	1.0
545.27820	23.5
585.07056	1.1
661.28931	1.4
705.30450	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	704.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99383	2.4
57.03451	2.6
59.01380	46.8
69.03410	3.0
70.40490	2.6
71.01351	17.6
71.04979	3.7
73.02939	49.7
77.22336	2.2
80.84672	2.2
83.01369	5.9
85.06594	2.4
89.02404	2.8
101.02440	28.3
113.02441	5.9
131.03523	2.6
131.07121	16.4
165.12823	37.7
174.11327	20.4
183.13847	5.5
195.17551	13.0
209.11732	3.0
219.17516	5.8
226.18095	3.4
237.18593	29.8
239.16562	4.6
376.85129	2.4
438.28534	61.1
447.71304	2.5
660.36108	100.0
723.75830	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	705.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.23555	1.7
71.01369	15.2
73.02926	8.0
74.75714	1.5
83.01385	2.3
85.02931	7.5
89.02451	3.2
92.38660	1.7
93.99880	1.7
96.35361	1.6
99.00838	3.4
101.02433	19.5
107.05016	80.8
113.02409	9.1
142.91197	1.9
143.40082	1.7
159.03120	2.0
161.04483	9.3
211.67189	1.9
212.33139	1.9
245.09328	2.3
249.13483	8.3
253.05092	1.9
291.14450	10.9
295.06122	15.6
297.01050	2.2
303.59753	1.8
311.11337	10.2
325.12860	9.2
337.07367	3.3
349.38000	2.2
350.15768	1.9
368.47565	1.7
395.39160	2.0
464.10223	1.8
582.48706	2.0
661.18140	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	704.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36193	0.7
59.86064	0.6
65.83058	0.8
69.24669	0.7
71.01373	5.9
71.51089	0.9
72.10950	0.7
79.95715	0.9
92.19893	0.7
111.90389	0.7
115.00351	21.9
120.04533	67.1
121.02943	19.9
132.33502	0.8
135.15681	0.8
148.07697	9.5
164.07166	8.1
174.05585	16.9
190.10158	0.8
192.06660	36.0
196.00972	1.9
198.18404	0.8
218.04576	4.6
236.05637	100.0
393.02939	1.0
546.31311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79681	3.0
52.65778	2.4
72.72534	3.1
79.99058	3.1
92.19917	5.8
119.87763	3.2
165.12817	19.6
209.11797	3.5
247.20615	6.0
291.19650	100.0
323.76279	3.5
461.90213	3.5
479.49597	3.5
597.13098	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	703.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47111	0.9
56.96233	0.9
59.01366	6.5
60.55135	1.0
70.02964	1.3
73.02909	1.8
74.02469	8.8
81.35388	1.1
85.02934	5.5
86.99086	4.4
91.51283	1.2
101.02442	2.1
113.02474	1.4
116.03510	5.2
116.05041	1.7
120.99625	5.1
121.06569	33.1
147.04489	4.6
153.05511	1.7
165.05551	75.9
175.03951	1.3
181.05060	4.6
192.04173	1.6
192.99629	1.9
195.06523	1.5
196.07399	12.0
203.08296	13.6
207.01222	2.7
207.06628	20.3
208.01990	30.5
211.04416	4.7
211.09726	5.7
222.03525	4.4
223.04326	100.0
241.05399	16.7
245.09280	15.5
284.35309	1.2
329.06879	6.1
369.07416	2.2
369.11893	43.9
403.10709	7.2
491.12314	45.4
659.21851	9.2
703.22809	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	703.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84489	2.3
52.80841	2.0
53.78942	2.0
59.01374	12.6
71.01368	19.7
73.02940	3.2
75.00859	21.0
79.85722	2.3
85.02947	20.4
87.00863	3.6
89.02438	4.1
96.39864	2.3
99.00883	5.4
101.02422	4.7
113.02435	34.7
119.03413	2.8
161.04768	3.0
175.02510	3.3
195.87917	2.4
233.09242	4.9
244.09721	4.7
245.09349	3.6
303.19641	2.9
362.98984	3.4
366.80524	3.1
435.72888	3.0
440.59256	3.6
500.16577	3.5
527.24762	6.3
654.98535	3.1
667.26123	14.3
703.28186	100.0
722.50671	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	703.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05032	0.4
52.16523	0.5
52.60136	0.5
52.61689	0.5
52.91622	0.4
58.02965	0.6
59.01365	5.3
61.91985	0.5
70.02961	2.9
71.01355	3.9
72.04510	0.5
73.02933	2.6
74.02459	12.6
75.00849	2.1
80.09004	0.6
85.02931	4.2
87.00857	1.1
89.02412	0.5
91.40236	0.4
98.02445	2.7
99.00855	1.0
101.02414	2.4
106.04204	0.9
113.02417	4.3
116.03510	6.0
116.05030	2.3
120.99660	3.7
121.06567	47.6
131.03409	0.6
139.07701	0.5
142.92761	0.5
144.36575	0.5
147.04503	6.6
159.09293	0.6
165.05544	100.0
173.04517	1.0
177.12793	0.6
179.07121	0.7
196.07387	0.8
201.10338	2.4
203.08260	24.1
207.06596	2.2
208.01923	4.1
223.04314	13.9
241.05492	1.1
245.09274	31.9
289.08264	0.8
329.07019	0.9
369.11877	55.7
483.18100	0.6
491.12198	6.4
582.99310	0.5
592.11169	0.6
639.69183	0.6
659.21936	11.3
703.22803	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	702.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83893	0.6
59.01374	0.7
59.52421	0.7
63.62774	0.7
74.95983	0.6
77.80902	0.6
83.70128	0.7
107.05018	4.5
117.08025	0.8
133.06583	2.6
149.06049	15.0
161.28398	0.8
177.05557	18.3
179.03494	36.3
195.06624	3.2
221.04535	1.4
239.05606	100.0
267.85928	0.7
410.11230	0.8
478.87952	1.0
532.22833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	5.8
70.02965	4.2
79.29111	2.2
91.05540	6.0
91.41560	2.1
136.04065	5.2
147.04530	17.9
148.21188	2.7
164.07162	88.0
195.06654	11.1
206.08218	100.0
250.07095	3.7
344.21368	2.6
496.19083	3.1
503.78699	2.7
714.53522	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	702.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84647	0.5
52.81766	0.5
59.01365	3.8
71.01369	2.2
84.86525	0.5
89.02435	5.9
92.05040	0.5
94.44585	0.6
101.02417	2.2
113.02415	1.1
119.03503	0.9
135.04515	2.5
136.04028	100.0
147.75751	0.6
161.02429	18.3
179.03485	8.2
179.05634	6.0
180.03012	80.3
219.15216	0.6
341.08813	13.3
360.09351	20.2
374.80795	0.6
531.75891	0.6
551.28088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17495	1.3
53.79390	1.1
56.71280	1.2
59.01379	1.9
62.20156	1.2
68.49454	1.2
81.19760	1.6
86.99097	1.9
89.00997	1.3
92.19341	2.5
93.81220	1.3
102.27921	1.2
120.01229	14.3
129.24866	1.4
153.05565	2.2
154.97231	1.3
164.60396	1.4
181.05017	7.1
192.04282	2.1
192.99637	5.8
196.07408	20.4
205.73836	1.4
207.01239	1.9
207.06587	20.9
208.01985	26.1
211.04271	1.9
211.09818	11.0
220.09749	5.8
222.03575	1.5
223.04333	100.0
241.05356	9.7
250.10866	2.4
328.08704	12.2
403.10757	12.6
490.13867	29.2
548.14056	1.7
702.23755	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	701.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.71054	0.7
57.03434	1.1
58.92233	0.8
59.01082	1.9
59.01379	51.8
60.80453	0.8
71.01376	38.3
73.02939	15.5
73.67017	0.8
75.00837	1.1
83.01357	6.5
85.02941	23.9
87.00834	1.7
89.02424	18.1
92.19381	1.6
95.01387	5.1
96.96136	1.0
97.02950	4.4
99.00866	5.7
99.92590	10.9
100.93347	31.4
101.02425	42.6
104.05749	0.9
107.48711	0.9
111.00886	1.0
112.01680	1.4
113.02425	25.8
115.92059	35.9
116.92848	8.6
119.03478	7.1
125.02419	2.1
126.50647	0.9
130.86595	0.9
131.03455	1.2
138.03104	0.9
143.03456	2.0
143.98161	1.1
159.02983	1.8
161.04532	9.7
191.03520	1.3
205.96538	1.1
208.03751	0.9
210.41710	1.1
221.06653	1.1
223.06030	0.9
258.98352	1.1
335.22275	15.4
385.12256	1.8
497.26938	1.4
527.70306	0.9
539.28680	1.2
641.31323	1.1
653.22076	1.4
657.35736	7.7
659.32452	1.6
701.34021	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	701.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
61.99412	5.4
63.80453	5.7
65.26115	5.1
66.12959	4.7
71.01373	74.7
73.02930	7.0
83.01363	8.0
85.02936	32.3
87.00865	8.0
89.02419	48.0
92.19298	7.0
95.01376	6.4
97.02934	13.6
101.02421	86.8
113.02423	32.2
119.03449	26.1
125.02415	11.0
131.03438	9.7
138.76649	6.6
150.35069	5.5
158.72940	5.9
161.04547	21.7
162.20805	5.1
167.76334	5.3
179.05580	6.7
222.94060	5.3
224.23080	5.5
318.36115	6.7
335.22192	7.6
532.13696	5.6
597.27527	71.1
615.28821	51.3
657.30450	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	98.4
61.48777	4.4
71.01380	97.2
73.02936	27.2
83.01373	19.4
83.86314	4.3
85.02913	38.9
89.02441	65.2
92.19348	9.2
97.02956	6.5
99.00842	8.3
101.02428	100.0
111.00830	9.6
113.02435	46.5
119.03473	12.3
120.01227	11.3
125.02425	26.9
131.03488	7.4
143.03526	9.4
159.02934	7.0
160.35124	5.4
161.04579	27.9
167.32466	5.1
184.03220	5.6
221.06660	6.0
230.85396	4.9
301.45645	5.2
353.85849	5.5
597.27679	93.8
610.42120	5.4
615.28809	76.5
657.29639	52.3
701.31787	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	701.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47320	2.2
58.90667	2.1
59.01385	8.9
59.29979	1.8
71.01384	3.1
87.73542	2.0
89.02396	2.8
96.95968	3.5
101.02424	2.8
113.02393	3.1
135.04509	3.2
136.05267	2.9
148.05315	3.5
149.06007	2.4
150.06837	2.7
151.03992	3.0
160.05275	14.1
162.06874	3.6
165.05553	12.4
175.07634	18.9
178.06352	4.7
179.07129	8.9
180.07956	2.3
191.38023	2.3
223.06081	3.1
249.98444	2.4
298.11993	13.2
310.12079	10.4
449.19882	26.2
461.19708	18.4
479.20773	15.8
491.21021	4.2
509.21841	34.1
539.22900	100.0
555.22968	2.7
575.27167	4.7
597.25378	3.4
701.24640	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	701.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	15.4
62.98803	2.4
71.01377	16.3
73.02917	2.4
79.52929	2.4
89.02437	24.4
89.77377	2.4
96.95998	4.8
101.02428	19.7
103.95195	2.3
113.02422	9.8
116.19372	3.2
119.03509	10.5
125.09676	14.2
131.03432	5.3
135.08139	4.3
143.03516	3.4
153.09196	30.3
161.04517	13.5
171.10249	30.3
175.06244	8.6
179.05566	4.6
179.07146	3.4
188.06012	2.4
197.08212	16.3
215.09167	18.0
221.06662	14.1
243.44652	2.4
264.78149	2.3
299.14539	2.7
354.99847	2.6
563.84064	2.7
701.25232	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	701.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18170	1.4
57.62831	1.5
58.74946	1.5
59.01381	25.8
61.70860	1.5
68.99818	4.2
71.01369	2.5
74.23482	1.7
79.36733	1.6
89.02444	2.5
97.12083	2.0
101.28484	1.6
104.00044	1.7
113.02444	1.9
116.59229	1.5
138.03221	3.7
139.03946	2.2
153.01956	3.7
153.05563	18.1
168.04216	2.0
173.80029	1.9
176.01118	8.2
178.02682	2.6
180.04265	4.0
181.47780	1.6
191.03514	29.7
192.04305	3.9
193.01392	8.6
193.04982	17.8
207.06610	45.5
208.03748	35.3
209.04550	3.7
223.06084	36.6
224.06906	3.5
339.08746	11.0
354.11060	6.8
369.13391	3.4
467.54718	1.8
593.20520	14.0
653.22455	100.0
701.34155	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	701.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66202	0.5
58.01423	0.5
64.19317	0.5
75.00859	6.2
84.05794	0.5
96.96004	2.4
96.96965	5.9
107.05004	0.8
115.41452	0.5
121.02956	0.9
123.00864	2.9
135.04483	4.9
138.02213	1.1
138.03217	21.0
151.04030	1.0
153.05569	22.6
166.99850	1.0
176.93576	1.1
182.02202	32.6
194.94638	0.6
197.04553	100.0
204.95686	0.6
217.36003	0.6
252.93448	0.7
312.62692	0.7
341.10916	0.7
350.07730	0.8
359.09845	48.2
437.62033	0.6
701.21466	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	701.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12246	0.7
59.01384	1.4
65.69233	0.7
68.51249	0.7
68.63328	0.8
69.16489	0.6
71.01380	0.9
76.42088	0.8
83.17825	0.7
93.32716	0.7
96.95970	1.1
101.26001	0.8
105.69882	0.8
108.02170	12.4
123.04507	14.3
152.01137	41.9
165.05524	0.9
167.03479	100.0
209.04457	1.0
213.07759	0.9
234.89513	0.8
302.53430	0.8
307.00110	0.9
334.76340	0.9
539.17657	37.9
701.22589	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	701.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.4
59.38962	0.7
59.84041	0.7
61.70009	0.9
71.01364	3.9
80.44447	0.8
87.08135	0.8
89.02461	1.5
90.92283	0.8
94.55440	0.9
101.02402	1.9
108.02170	16.8
113.02419	3.5
116.92860	1.4
123.04514	16.0
152.01146	53.8
166.02652	1.9
167.03488	100.0
170.89503	0.8
197.04535	3.6
209.08151	1.5
263.07660	1.3
533.19220	1.1
701.23059	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54713	0.3
53.66624	0.3
57.49949	0.4
59.01371	1.0
62.36802	0.4
63.53784	0.4
67.16151	0.4
71.01367	1.7
89.02402	3.2
97.58842	0.4
100.44629	0.4
100.86005	0.4
112.51026	0.4
113.02413	0.6
119.03502	0.7
121.10418	0.4
123.00862	3.7
138.03217	22.8
138.84476	0.6
153.05563	25.4
166.99873	1.0
179.05540	0.4
182.02208	30.9
187.67676	0.4
195.89661	0.4
196.03680	0.5
197.04550	100.0
209.97653	0.5
267.44022	0.5
341.10928	6.0
359.09848	45.2
597.54724	0.6
701.21240	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	701.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89148	0.7
56.71623	0.8
68.60479	0.8
72.99339	1.0
74.75223	0.8
75.00861	70.8
96.95977	1.6
97.91597	1.0
98.18671	0.9
98.37861	1.0
102.99602	0.8
107.05009	15.0
112.43816	1.0
117.03464	1.2
121.02933	18.6
125.90137	0.9
135.04515	48.9
135.82184	0.8
151.03963	1.2
161.02448	6.6
168.98851	1.3
179.03482	4.1
197.04550	30.0
204.03777	0.9
341.08694	5.5
359.09830	100.0
432.41260	1.0
630.80530	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	701.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63897	1.5
67.63625	1.5
93.03439	13.8
96.95985	8.0
104.80405	2.0
137.02443	77.7
138.03209	7.4
153.05571	100.0
164.48680	1.8
208.85373	1.7
255.91606	1.9
299.07794	21.8
357.11798	4.0
390.71390	1.9
418.69830	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	701.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14182	0.8
65.65127	0.7
72.21567	0.8
77.70052	0.8
87.00800	0.9
133.02898	1.7
135.04506	24.8
138.03226	6.3
153.05623	8.1
157.48648	0.9
161.02429	100.0
161.04584	4.6
179.01900	1.6
179.03481	43.6
179.05579	6.9
182.02199	12.4
192.16336	0.8
197.04555	30.3
341.08752	74.6
359.09933	11.9
381.45026	0.8
387.12320	0.8
432.62869	0.8
520.66235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49929	0.6
59.01377	25.7
65.18461	0.7
71.01384	0.7
71.46106	0.6
83.75394	0.6
91.45874	0.6
101.02437	2.4
113.02371	1.3
114.09148	0.6
128.10779	5.8
130.08716	100.0
148.44569	0.7
161.04468	0.7
172.09778	84.8
192.70717	0.6
244.34311	0.6
324.14307	1.3
324.18152	38.3
331.17511	5.1
334.25476	0.6
340.06790	0.6
496.38800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43968	0.5
58.02974	2.4
58.82000	0.7
59.01359	0.6
61.31610	0.5
61.76293	0.5
64.99451	0.5
70.02956	2.5
74.02460	13.7
76.91866	0.5
98.02465	4.3
111.96841	0.7
116.03526	7.1
116.05077	1.1
119.05002	92.5
163.03993	100.0
201.10378	1.4
203.08257	25.7
225.09143	2.3
245.09283	27.9
279.06693	0.7
282.10620	0.6
339.17065	0.8
367.10309	36.6
376.35266	0.7
411.15005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14216	1.2
53.17914	1.5
56.35331	1.3
62.27004	1.1
67.30984	1.2
67.47919	1.2
88.04028	46.0
112.07674	2.7
113.06061	6.5
114.01948	3.0
115.00359	12.4
131.33931	1.5
132.03006	79.2
135.04514	88.3
161.02434	5.8
184.09709	2.6
184.19693	1.6
190.25616	1.5
228.08769	49.7
291.17194	10.5
308.19904	5.5
334.17691	34.0
350.87051	1.7
437.83707	1.5
470.22955	100.0
582.01886	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	699.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17762	1.4
54.08043	1.5
59.01085	3.6
59.01375	100.0
67.51046	1.8
71.01365	17.0
73.02924	7.2
73.93596	1.6
83.01374	2.3
85.02942	2.9
87.00847	2.6
89.02421	21.8
93.73339	2.0
101.02422	25.5
113.02423	10.3
119.03484	9.3
131.07100	7.8
145.08678	36.4
149.04546	2.3
161.04549	6.9
179.05638	4.2
198.79977	1.9
263.09531	2.3
287.42416	2.0
307.14001	70.1
325.97189	2.1
334.30417	2.6
347.17068	50.9
699.37366	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75483	0.8
58.10837	0.9
58.71722	0.9
58.77042	0.7
58.90810	1.0
59.01376	100.0
63.01775	0.7
71.01364	9.7
71.78091	0.8
73.02930	5.5
85.02941	7.3
89.02425	1.0
98.35200	1.0
101.02426	15.4
113.02435	7.9
118.27429	1.0
127.21351	0.9
138.91948	0.9
159.02988	2.2
161.04517	8.0
208.85172	0.8
263.14993	17.4
305.16074	21.8
335.99463	1.0
364.80124	0.9
422.52530	1.1
537.21014	1.1
636.28046	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	699.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	17.1
70.63604	1.9
71.01368	10.2
71.41599	2.1
84.21748	2.0
85.02959	2.3
87.00871	4.9
89.02438	7.6
96.96024	4.6
97.02924	14.8
98.03744	2.2
99.04494	3.5
101.02419	17.5
111.04537	2.2
112.26971	2.1
113.02418	9.3
151.03958	2.8
196.37317	2.7
203.11922	24.0
217.13458	3.5
231.14748	2.1
239.28049	2.2
241.13458	2.9
255.14983	3.2
256.15848	16.9
271.18195	29.8
284.94217	2.8
297.11508	3.5
300.14771	24.7
305.38034	2.0
315.17197	33.5
341.10803	3.5
357.17914	3.4
513.52142	2.6
639.27643	100.0
699.27551	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	699.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	97.7
63.23863	4.9
65.25168	4.8
69.03399	6.0
70.39178	4.7
71.01374	75.6
73.02924	19.1
74.27855	5.6
83.01383	11.8
85.02943	22.2
89.02435	74.4
91.69235	5.6
95.01320	5.5
96.95998	38.5
98.95575	19.9
101.02423	92.0
113.02446	51.7
119.03494	32.0
123.61151	6.1
125.02428	26.2
135.04507	11.5
138.24535	5.1
145.05026	6.5
161.04515	29.9
171.98471	5.6
221.06592	6.6
315.19748	44.1
338.07797	6.2
353.10324	6.5
440.70929	5.7
471.14462	25.6
519.16235	6.5
595.26172	100.0
606.88928	6.4
613.27075	66.9
639.30316	9.5
655.28302	45.9
699.22003	8.0
699.34332	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	699.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11739	3.6
57.62526	3.1
59.01379	91.9
59.95034	3.0
60.73046	3.5
71.01371	86.4
72.99333	4.2
73.02915	29.2
75.24382	3.8
78.08192	3.2
81.64428	3.8
83.01358	4.2
85.02930	35.5
89.02425	55.2
91.53354	4.7
96.95993	4.0
97.02919	16.3
99.00871	19.9
101.02435	97.2
111.00900	4.4
113.02422	54.5
119.03461	20.6
125.02430	27.8
131.03485	7.2
135.73930	4.1
136.25064	4.3
136.73831	4.5
139.03897	4.7
143.03474	18.5
155.03502	4.7
161.04521	23.6
194.19012	4.1
234.47621	4.1
259.16049	3.7
302.81131	3.8
323.09616	4.9
360.74524	4.4
433.20694	5.9
519.19781	5.0
595.26080	100.0
613.26996	74.1
655.28369	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29653	11.4
59.01384	97.4
71.01376	96.2
73.02906	15.4
75.00869	12.1
76.28110	10.5
85.02924	48.2
89.02429	70.3
92.19343	20.3
97.02922	16.6
98.42986	12.3
101.02429	100.0
106.93125	12.7
113.02432	73.2
114.93375	27.3
126.07810	11.6
161.04660	14.0
220.68535	11.0
221.02759	10.9
245.10168	10.6
275.50171	11.8
323.09863	11.3
383.60071	11.4
504.86191	12.3
595.26129	95.9
613.27167	84.4
655.28168	72.9
684.30670	12.0
699.38263	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63390	0.5
56.13287	0.5
59.01367	0.8
64.27055	0.5
71.01394	0.7
85.02894	0.6
85.44436	0.5
113.02477	0.6
123.00890	0.6
123.04568	0.9
136.01660	9.7
137.02412	1.2
148.59814	0.6
150.03130	0.8
151.03996	27.9
163.03964	0.6
187.07738	0.7
188.28346	0.6
188.31699	0.5
189.05563	1.3
190.06456	1.0
191.07211	2.7
204.07962	0.7
293.08157	2.5
296.10480	1.0
299.12793	0.7
301.10825	1.0
307.09598	1.0
308.10587	4.5
309.11258	0.9
310.11917	1.1
313.10864	0.9
320.10669	0.9
321.11108	0.8
322.12128	2.4
323.12875	0.9
325.10870	0.8
326.11584	2.7
331.11890	3.4
337.10703	0.7
338.11661	4.5
341.13947	3.1
352.13132	0.6
353.13971	3.1
356.12863	1.3
358.10962	1.1
368.12518	3.4
369.13376	2.9
371.15005	3.3
385.12820	0.6
392.18008	0.7
427.15070	0.6
428.16226	1.0
429.13016	0.9
432.15961	2.4
443.15170	1.0
444.15637	6.1
446.17136	1.2
447.18314	6.8
456.15671	1.4
458.17514	1.1
459.18359	6.3
462.16766	1.0
471.18005	2.6
474.16876	1.0
476.18176	1.2
477.19449	7.8
489.19232	3.5
507.20364	6.2
537.21356	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	699.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85726	1.6
55.65110	1.7
59.01376	20.2
59.01656	2.4
69.42538	1.8
71.01363	4.4
73.02926	4.3
80.95245	1.8
96.96020	2.1
101.02419	3.5
113.02436	3.0
121.02893	4.8
123.04456	3.1
135.04494	2.9
160.98215	2.0
161.04596	2.1
164.04668	2.4
165.05569	15.8
179.07251	6.5
180.07954	2.1
193.04918	2.7
220.04280	2.1
222.46834	2.2
223.06195	2.9
243.11383	3.3
245.04723	1.9
253.09898	4.4
259.09720	4.2
271.09729	70.4
283.06790	2.7
283.09732	19.4
285.11209	7.8
289.10901	4.5
297.04099	2.7
298.11960	2.3
301.10800	46.4
310.04895	3.9
311.05597	21.8
312.06369	2.6
313.10782	25.9
315.12335	4.8
325.07333	3.2
325.10654	14.5
326.07925	9.4
327.05075	20.0
342.07410	10.7
343.11880	32.2
345.13528	18.4
357.09732	41.2
357.13522	20.5
360.30524	2.2
375.14478	100.0
414.61682	1.9
444.75320	1.9
477.17279	3.3
498.33490	2.4
537.19855	89.2
550.61414	2.3
699.25122	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
58.02976	10.2
59.01378	17.3
60.99298	8.4
70.02956	5.7
71.01370	17.7
72.99282	3.4
73.02943	2.7
75.00556	1.3
75.00869	23.1
85.02947	26.3
87.00854	8.8
88.98796	63.4
89.02443	10.5
91.05506	8.3
95.01350	2.8
96.96003	18.1
97.02867	1.8
99.00858	10.1
101.02412	7.8
113.02436	23.8
115.00364	1.7
122.03720	2.6
147.04539	10.6
148.04866	1.8
164.07164	51.3
165.05530	5.4
165.07513	18.7
175.02507	1.3
206.08220	46.2
207.08583	23.7
297.02795	1.5
325.10986	2.4
346.14108	2.7
347.15250	2.9
361.16635	32.9
537.19794	2.7
699.12836	3.2
699.25012	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	699.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21518	0.2
73.02926	0.3
73.55804	0.2
73.70670	0.2
88.91285	0.3
99.92570	3.2
116.92844	100.0
117.01941	0.9
166.02676	0.4
181.05070	1.5
203.03542	0.6
208.03778	0.3
218.05936	1.3
223.06187	0.3
252.57764	0.3
292.23746	0.3
358.59598	0.3
639.21008	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	699.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05349	0.2
58.08670	0.2
64.00725	0.2
95.83125	0.2
97.63992	0.2
99.92573	3.1
107.56647	0.2
114.93399	0.3
116.92847	100.0
116.97242	1.4
117.01913	0.5
138.77678	0.2
144.23976	0.3
247.79453	0.3
326.99872	0.3
329.23129	0.3
373.25760	0.3
388.85730	0.3
389.41666	0.3
407.40186	0.3
594.29913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85054	3.8
68.41979	3.5
69.26429	3.3
70.86473	3.7
104.85453	3.8
116.39828	4.3
121.80060	3.8
138.03197	5.1
153.05559	26.1
163.33522	4.5
166.02681	45.1
176.01085	4.0
181.05066	80.5
191.03481	5.5
193.01501	8.2
203.03523	65.1
207.06711	7.2
208.03755	37.8
209.04495	7.2
218.05823	100.0
223.06000	28.9
233.08192	34.9
342.18845	4.4
405.11609	33.0
639.21027	92.6
699.23407	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	699.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52328	2.2
59.01374	4.1
79.31239	2.9
82.90585	2.5
96.95987	2.6
107.83010	2.7
117.26371	2.5
133.79137	2.6
137.74393	2.4
143.16624	3.2
143.49487	2.5
229.99158	2.5
239.03503	2.8
271.06155	22.3
283.02591	2.8
286.08441	14.4
297.03851	5.8
301.10721	3.1
310.04709	10.1
311.05658	44.6
312.06342	19.9
313.07242	3.0
315.05127	18.8
325.07028	5.8
326.07950	37.9
327.05112	78.5
330.07480	51.9
342.07462	50.1
345.09811	68.9
357.05756	4.3
357.09814	66.6
362.23718	2.7
368.49509	2.6
375.10742	3.3
379.38760	3.3
699.21509	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	699.1354
Annotation	Theaflavate B
Peak:m/z	Relative Intensity
52.33088	1.6
54.92232	1.6
56.08783	1.6
57.33590	2.0
57.40795	1.5
59.01371	2.6
59.73276	1.8
63.28247	1.7
68.62181	2.1
89.57738	1.9
117.03446	10.6
127.41974	2.0
153.97948	1.7
159.04471	7.3
176.23088	1.8
239.49126	1.9
299.19974	1.9
331.06146	9.6
374.04294	4.4
375.05109	100.0
399.05038	16.0
417.06284	17.6
443.04001	8.1
537.09070	7.4
539.08447	2.0
699.13550	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.9
60.01703	1.6
61.98827	100.0
73.82937	1.0
73.95041	1.0
92.19203	1.1
155.30927	1.2
178.74619	1.3
184.98982	1.3
301.01007	1.3
451.04962	1.3
698.32135	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	698.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95962	2.5
76.64574	3.0
87.74339	2.7
98.85895	2.3
134.33487	2.4
138.09146	2.8
148.04030	23.3
150.05615	13.1
154.05095	2.9
161.04802	49.9
162.05606	3.6
175.05106	62.0
202.08745	11.6
203.04630	18.9
216.06581	5.6
232.08521	18.5
233.09305	48.3
236.53038	2.7
244.09834	85.7
245.09264	10.3
268.95117	2.9
286.09607	4.0
287.10370	13.1
305.11642	4.5
308.67084	2.4
312.13553	3.1
468.17749	48.7
605.17328	4.0
605.26135	34.0
635.27264	100.0
635.37250	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	698.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81083	2.2
66.56892	2.2
77.63367	2.1
82.02974	2.9
129.05499	4.2
148.04002	21.3
150.05586	9.9
161.04797	50.7
162.05595	4.1
175.05096	63.6
175.06453	4.6
189.06857	3.2
191.08232	3.6
201.09233	3.6
202.08757	5.2
203.04671	20.3
216.06639	9.2
226.03716	2.3
227.07330	2.8
231.07593	3.8
232.08519	17.1
233.09294	53.3
244.09782	92.7
245.09216	8.7
246.78706	2.3
286.09683	8.2
287.10355	9.9
295.11072	2.3
305.11447	4.8
370.17874	4.4
468.17664	54.7
472.20688	4.4
605.26361	31.5
635.27252	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	698.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	11.8
64.55949	0.8
64.78340	0.8
70.02972	6.7
70.83725	1.0
76.99114	0.9
80.99062	0.9
83.56959	0.8
91.05530	9.6
146.62610	0.8
147.04494	22.2
162.09245	1.4
163.04051	1.4
164.07161	84.1
187.80896	0.9
206.08220	100.0
233.06419	1.0
250.07137	1.3
429.24490	1.1
568.81372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71107	2.7
50.76986	3.3
58.43899	3.6
59.01389	7.4
64.08176	3.5
66.51469	3.1
71.01364	3.9
75.00883	3.9
84.86006	3.4
95.84616	3.3
129.05487	4.1
148.04018	24.0
150.05576	15.0
154.05063	4.1
161.04787	67.9
175.05118	63.6
176.06047	4.2
200.10689	5.0
202.08817	4.9
203.04604	25.5
204.24326	3.5
214.15942	3.4
216.06587	6.2
232.08537	21.5
233.09227	61.1
242.62715	3.6
244.09836	100.0
245.09218	16.4
256.98721	4.6
263.10416	4.1
286.09772	4.4
287.10452	14.9
305.11490	5.6
312.13538	4.7
468.17770	58.4
472.21033	5.8
605.26251	34.9
635.27350	96.7
698.37286	21.4
705.59875	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	697.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99038	2.6
57.84340	2.2
58.60067	1.9
59.01390	2.9
61.98829	35.3
69.55722	2.6
73.12204	2.4
82.53040	2.3
96.95998	55.9
98.95585	30.7
113.02419	3.2
163.04021	3.5
214.51901	2.4
308.19724	34.8
342.70038	2.6
347.13669	3.5
350.20712	27.4
376.92108	3.1
390.94412	2.4
470.91623	3.0
472.24496	100.0
501.90518	2.8
519.12988	2.6
565.15802	3.2
634.29877	77.7
702.01923	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	697.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30066	2.4
59.01379	49.6
63.77374	2.3
66.54188	2.3
69.58016	2.4
71.01375	22.9
73.02964	5.2
76.48792	2.4
85.02942	13.5
85.33223	2.6
89.02442	4.2
101.02428	23.6
113.02417	14.8
161.04532	3.4
161.51793	2.7
490.75186	2.7
653.33984	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	697.293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69968	2.1
59.01379	35.5
61.67059	2.3
71.01375	37.7
72.99305	3.3
73.02944	11.3
83.01381	2.4
83.17181	2.1
85.02943	14.4
89.02421	29.2
90.90795	2.1
95.01383	2.8
97.02934	3.8
99.00845	3.7
101.02421	37.8
113.02451	21.5
119.03434	5.7
125.02411	5.3
131.03418	4.3
142.38797	2.4
143.03439	2.6
161.04495	14.5
176.54799	2.4
186.41537	2.6
221.06624	3.2
232.98782	2.6
297.77365	2.9
348.27847	2.2
373.18658	24.3
526.13220	2.5
636.17273	2.8
653.29596	3.3
676.62054	2.8
685.39508	2.5
697.29242	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	697.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48042	3.9
59.01373	87.8
59.07847	4.5
63.64355	3.6
69.77927	4.0
71.01379	96.8
71.29952	3.7
73.02942	29.1
83.01355	7.9
85.02936	24.4
87.00873	16.6
89.02431	79.2
93.95875	4.1
95.01360	4.1
95.98367	4.8
97.02963	6.8
99.00839	9.3
101.02423	100.0
106.05223	4.9
113.02419	66.3
119.03472	34.6
125.02419	6.8
131.03470	21.2
143.03523	7.4
161.04530	33.7
179.05630	18.6
189.20007	4.5
221.06651	24.2
263.07870	5.4
340.09613	5.5
593.24530	61.9
611.25391	62.7
637.27228	8.9
653.28876	61.9
697.23199	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01954	12.5
50.69053	10.9
60.26493	11.9
71.88129	13.9
75.80828	15.0
81.39413	14.8
87.23483	15.6
90.00002	14.1
92.77156	14.3
93.74677	14.2
96.95995	21.4
113.02480	15.5
124.82841	16.3
140.01309	15.1
145.02928	17.3
196.01988	16.0
256.29584	17.3
299.09195	28.3
409.29706	16.2
454.08603	17.5
505.18524	73.7
517.18652	100.0
535.19824	79.9
539.45642	19.5
571.91089	19.5
697.25452	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	697.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16281	6.1
59.01373	100.0
59.79977	6.6
79.44714	7.1
85.82012	5.9
93.36053	7.4
96.90857	6.5
96.96966	8.3
101.53909	6.9
231.03938	7.2
242.50035	8.8
242.79846	9.1
267.08655	13.6
339.08685	12.7
369.13528	32.6
458.62216	8.8
507.30072	7.7
697.28809	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	697.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44016	2.6
51.31742	2.5
51.90432	2.8
56.96368	2.5
59.01384	25.6
66.89746	2.9
71.01366	19.1
77.28253	2.9
85.02929	7.7
89.02422	20.9
92.19941	4.2
97.94450	3.0
99.00895	6.0
101.02425	7.6
113.02429	18.0
114.09072	3.2
119.03497	3.9
125.02299	3.0
161.02454	5.4
161.04553	5.7
218.68076	3.4
269.08231	14.2
281.08334	3.5
283.09726	7.3
284.10550	4.2
296.10352	5.0
311.09229	20.5
328.09656	31.2
340.09473	44.4
343.11862	69.1
355.11835	27.4
355.91428	3.2
385.13049	3.7
582.12531	3.9
600.44507	4.3
607.33380	3.8
697.23120	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	697.2347
Annotation	Dihydrophelloside
Peak:m/z	Relative Intensity
53.13747	1.0
59.01360	1.3
71.01355	1.3
75.90295	1.1
79.95731	7.1
81.95304	1.3
89.02447	1.0
91.30234	1.2
96.95997	30.8
101.02438	2.8
113.02457	2.1
132.04910	1.7
148.05284	10.3
160.05284	5.7
161.78084	1.4
162.03221	6.3
162.06924	1.5
163.04010	18.1
171.01234	1.1
177.05504	1.8
178.06358	6.0
180.04274	6.5
181.97949	1.2
196.01123	9.8
197.01375	1.5
198.00624	9.4
204.04341	2.5
205.05061	2.0
207.03030	1.6
219.06593	1.9
222.05325	1.1
231.58148	1.1
236.06958	1.3
237.93437	1.2
252.04292	1.1
281.08124	1.7
284.10489	10.0
296.10538	11.6
299.12866	37.4
311.09634	2.0
311.12924	24.3
314.11407	2.7
315.12448	1.8
329.13950	61.1
355.11755	6.2
373.13022	14.7
491.19315	7.0
508.04190	1.2
535.18225	100.0
555.13916	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	697.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
63.28405	1.0
68.51277	0.9
85.02930	12.3
86.30765	0.9
87.00854	17.8
87.76289	1.0
89.63113	0.9
111.00861	87.7
113.60403	0.9
129.01927	6.8
130.99826	1.5
158.31567	1.1
173.00885	5.5
191.01970	100.0
205.98724	1.2
252.36978	1.1
275.60739	1.0
429.44629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85810	0.7
73.34007	0.9
75.42898	0.8
78.95888	11.4
92.39613	0.9
96.95995	100.0
96.96918	20.3
116.92848	5.1
159.53763	0.9
164.02118	0.9
197.62387	1.0
220.24423	0.8
245.77965	1.0
505.69940	1.2
697.22400	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	695.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.2
62.31510	0.8
65.96574	0.8
71.01380	3.7
87.22560	0.8
89.02438	2.0
99.00920	0.8
101.02434	3.9
113.02425	2.0
116.40594	0.9
116.92795	1.0
119.03498	1.1
129.78398	0.9
135.42369	0.8
194.59636	0.8
205.38739	1.1
220.18280	0.8
411.29132	1.0
423.29071	5.6
425.30774	1.0
441.30154	3.6
453.30212	5.4
457.29617	1.0
467.28183	6.0
471.31180	15.7
485.29092	31.3
509.23828	1.0
527.30096	4.4
651.35400	1.2
659.32910	4.9
695.36597	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	695.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94973	1.9
59.01379	100.0
71.01359	8.0
73.02953	3.8
81.63677	2.5
83.01353	3.2
85.02937	11.3
92.19286	4.2
101.02431	4.7
110.85027	2.5
113.02428	16.3
116.92873	3.3
135.04349	1.9
137.61673	2.5
155.10797	2.5
171.13869	4.5
185.26221	2.5
210.66089	2.1
221.71492	2.4
333.33820	2.2
344.89761	2.5
361.29590	13.7
487.32867	9.2
505.33670	23.5
546.47919	2.3
547.27045	3.7
547.34875	63.8
565.35950	16.9
607.37463	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	695.3142
Annotation	Pipeloside A
Peak:m/z	Relative Intensity
53.57416	1.0
57.03452	1.0
59.01086	2.4
59.01376	52.5
59.86494	1.0
69.03442	2.3
71.00979	2.0
71.01372	56.5
71.51858	1.1
73.02928	14.6
77.84295	1.0
81.73293	1.0
83.01376	4.8
85.02944	18.7
85.28125	1.1
87.00845	7.3
88.19347	1.2
89.02427	44.2
93.03456	1.1
95.01349	4.6
97.02911	6.3
97.79726	1.0
98.02493	1.2
99.00850	7.7
101.02429	56.6
111.00828	4.7
111.08134	13.8
113.02431	31.9
119.03474	15.1
124.97561	1.0
125.02433	11.6
131.03484	6.7
141.01935	1.7
143.03494	5.2
145.05139	1.1
145.44792	1.1
150.61374	1.2
159.02977	1.8
161.04544	14.6
173.08177	25.3
179.05551	5.8
203.08279	2.8
209.15417	1.3
221.06604	6.0
245.06741	1.8
245.09261	6.9
263.07657	1.3
267.06577	1.8
323.09924	7.2
327.53867	1.2
405.15881	1.2
445.38657	1.1
651.28894	2.7
653.27039	1.2
692.95038	1.3
695.31360	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	695.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45467	13.8
52.68519	13.4
70.26692	17.3
77.59924	14.5
81.31335	16.2
92.19342	32.8
142.00497	19.2
163.78862	16.9
174.23927	16.9
450.79819	20.7
695.29950	100.0
699.50879	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16924	1.6
51.76871	1.2
54.50591	1.2
59.01380	100.0
70.28733	1.4
72.86428	1.3
78.95884	3.5
304.37262	1.8
368.32166	1.7
374.04294	1.6
571.37061	1.6
695.21448	2.0
695.31244	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	84.2
71.01378	16.3
73.02934	33.1
83.01369	8.6
85.02962	3.4
87.00842	4.2
89.02435	18.3
96.95998	100.0
96.96962	6.7
101.02429	34.0
113.02448	11.2
119.03435	3.0
131.03517	3.9
149.04565	3.3
161.04543	8.3
211.84476	2.0
221.06706	8.4
235.16122	2.0
236.30730	1.9
244.73856	2.2
262.96533	2.0
293.00748	1.9
303.14551	6.5
597.21661	2.4
651.27063	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	695.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02596	2.8
59.01385	40.3
71.01371	35.9
73.02950	6.7
85.02935	6.6
87.00867	5.5
89.02425	64.2
91.63743	3.0
101.02435	57.9
101.42555	3.3
111.00898	3.8
113.02425	28.9
119.03471	19.1
125.02414	6.8
131.03447	14.8
131.44302	2.8
143.03511	6.4
147.11781	4.2
161.04492	19.6
165.67928	3.0
179.05571	13.4
221.06625	20.9
267.53931	4.0
341.10815	4.7
435.78702	3.4
455.00620	3.0
631.92816	3.4
651.28406	13.3
695.27728	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	695.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96343	0.5
59.01377	14.3
71.01375	10.9
73.02933	2.5
80.83157	0.5
85.02959	2.7
87.00843	0.7
89.02431	13.1
95.01375	0.8
96.95998	5.5
96.96938	0.7
101.02427	8.4
113.02422	10.1
119.03482	6.2
131.03522	1.5
141.74928	0.6
143.03427	1.0
156.08301	0.8
161.04535	7.6
179.05640	7.6
221.06638	3.1
263.07721	6.6
268.88904	0.7
285.16101	100.0
299.17715	4.8
327.17136	2.7
357.18161	1.6
447.21335	1.3
489.22290	5.7
621.87878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52357	1.5
59.01385	30.3
59.79638	1.8
71.01385	22.9
73.02940	3.6
75.00861	2.1
76.03028	1.7
83.41452	1.9
85.02938	12.8
87.00856	10.7
89.02431	19.6
93.03430	16.7
99.00875	2.5
101.02415	18.9
113.02428	22.7
119.03473	7.6
124.74126	1.8
125.02431	2.0
130.39084	2.0
131.03497	2.4
135.04561	2.7
137.02440	4.0
143.03493	2.1
150.03229	3.8
151.03951	8.1
161.04555	14.3
178.02704	2.5
179.03496	2.0
179.05598	11.5
183.18069	1.8
211.07668	28.2
221.06773	4.7
223.07622	20.0
243.05006	2.7
254.05856	4.0
255.06650	84.5
263.07693	11.9
267.06635	78.2
279.06693	2.7
285.16095	100.0
297.11365	8.4
327.17075	2.6
338.08105	4.8
341.10294	2.8
394.37360	1.9
489.22672	3.8
651.19330	79.9
695.21838	18.0
699.24152	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	695.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37786	0.8
50.51934	0.8
55.27429	0.7
55.29805	0.7
58.02969	0.8
59.01371	1.9
63.89162	0.9
74.02473	1.2
74.54185	0.8
87.00851	1.9
91.05516	20.7
104.44953	0.8
117.07086	6.3
133.06587	17.3
161.06062	24.3
163.04004	48.4
179.07130	1.6
203.08215	1.9
223.06120	100.0
245.09282	1.2
427.19940	0.9
503.76904	1.1
523.08929	0.9
615.56250	1.0
712.78778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89285	3.7
59.01378	100.0
62.64502	4.3
67.11233	4.2
77.13571	4.6
78.61256	4.0
82.61955	4.0
83.62625	4.0
90.38973	4.1
91.16747	4.3
98.21340	5.9
191.03493	10.2
207.12173	5.3
303.35641	4.8
309.68787	5.2
323.09137	18.4
339.08862	51.2
340.09543	9.4
353.10321	5.7
354.10956	6.5
355.11780	24.6
635.21228	23.5
695.23462	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29705	0.4
59.01379	1.8
66.74690	0.5
71.01371	1.1
78.95889	7.8
79.95738	1.0
89.02432	0.8
90.75012	0.5
96.95995	100.0
96.96910	11.3
98.95574	2.1
99.92579	0.7
108.16154	0.5
114.36959	0.6
153.87552	0.6
165.05560	0.6
174.87848	0.5
179.05605	0.8
192.59622	0.5
224.06871	2.0
225.07677	7.6
239.09167	5.5
245.20375	0.5
247.94226	0.5
254.12477	0.6
262.96420	1.9
263.07864	0.8
329.69913	0.6
435.16687	2.7
597.21918	7.2
695.12958	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	695.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	14.3
59.56521	0.6
69.05367	0.6
70.80267	0.7
71.01370	1.3
72.08420	0.6
96.95993	3.1
101.02402	1.2
103.34186	0.7
113.02367	1.3
115.97123	0.7
123.00858	1.2
124.01637	40.7
136.15039	0.7
138.03241	2.3
139.03993	100.0
157.32283	0.7
166.01369	0.8
203.05661	3.0
221.10298	3.4
223.06056	0.8
236.63393	0.7
252.35010	0.8
255.05009	0.9
263.11340	1.3
283.08163	3.1
343.10315	20.9
370.52972	0.7
400.41528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
68.13676	1.9
68.63232	1.7
78.95905	4.6
83.80396	1.7
96.95994	100.0
96.96963	11.2
96.97576	1.8
116.02127	1.9
296.06818	13.3
312.56372	1.8
323.05634	2.4
353.06656	22.1
365.06549	2.6
383.07693	18.6
413.08698	4.5
462.70239	2.1
515.12323	7.5
545.13031	3.2
643.77722	2.0
695.18311	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	695.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48911	1.5
59.01366	3.9
59.86146	1.2
71.01376	1.9
74.93757	1.7
75.50179	1.3
78.35541	1.4
78.65362	1.3
78.95907	8.4
85.02939	1.7
86.33097	1.8
89.02414	2.3
93.03440	2.9
95.21397	1.4
96.95994	100.0
96.96947	14.7
96.97495	2.3
101.02401	2.4
108.96218	1.9
113.02435	2.4
128.03477	2.8
191.03523	1.8
223.05458	1.7
223.07599	10.5
239.28731	2.0
261.79105	1.9
267.06631	19.8
297.07593	3.6
323.05417	2.4
325.07172	10.4
353.06714	31.3
379.08359	2.7
383.07788	6.9
389.06506	2.1
395.07797	8.6
407.07898	14.3
437.08398	2.1
443.09708	7.6
485.10941	2.0
489.14178	3.0
651.27240	2.4
695.18054	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21226	1.3
59.01385	15.6
71.01375	12.7
73.02949	5.8
75.00877	1.6
85.02937	7.1
87.00861	1.8
89.02447	9.1
93.03443	17.1
101.02409	10.6
103.34702	1.6
113.02434	14.9
117.72961	1.8
119.03476	2.3
135.04520	2.8
137.02417	7.6
150.03218	2.6
151.04065	3.1
157.73799	1.4
161.04562	3.5
177.60231	1.4
179.05626	2.4
211.07640	28.3
223.07655	30.3
243.05299	1.7
254.05959	3.1
255.06638	100.0
257.08286	2.0
263.07877	2.7
267.06631	94.4
285.16077	27.6
297.11340	8.0
341.10272	1.7
459.46591	1.5
651.19305	92.2
695.21899	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	695.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	22.4
60.04716	3.4
71.01363	4.5
72.92628	3.3
78.61414	3.6
78.95899	4.4
83.01369	4.0
85.02941	100.0
91.21659	4.1
96.96013	6.4
96.96944	14.2
106.16562	3.8
111.00872	31.2
119.04987	15.7
129.01941	34.9
147.47855	4.5
163.03951	9.0
205.03531	27.7
223.04596	36.7
239.05635	8.7
290.79340	4.5
325.09500	4.3
369.08258	70.4
455.09702	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	695.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84625	1.1
55.13013	1.1
57.23523	1.0
59.01379	14.1
60.55250	1.3
62.01538	1.1
62.40445	1.4
71.01370	16.4
71.69770	1.2
73.02936	2.3
73.63055	1.0
77.88273	1.1
80.28611	1.3
80.57851	1.1
83.01369	1.6
85.02941	6.7
87.00854	1.6
89.02434	16.7
93.03448	15.3
99.00867	1.5
101.02441	13.1
106.64170	1.4
111.08125	5.2
113.02431	13.0
119.03474	6.8
125.02412	1.7
131.03476	6.7
137.02443	8.2
146.36371	1.2
161.04543	9.2
173.08156	7.3
177.14748	1.3
179.05542	1.5
201.90500	1.3
211.07671	19.4
221.06619	7.2
222.06726	2.2
223.07645	37.9
237.05663	2.5
246.85410	1.3
255.06604	45.3
267.06631	100.0
297.07837	1.7
297.11349	5.9
309.07623	10.4
399.11026	1.4
429.11856	1.4
459.12680	5.1
471.12866	13.6
498.96710	1.3
621.18292	40.6
621.27429	2.3
633.18329	47.3
651.19525	8.0
695.21301	8.3
695.31750	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	695.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01906	0.8
53.42496	0.8
57.03450	1.4
64.24281	0.9
85.02926	14.8
87.00852	24.9
103.28890	1.0
111.00862	100.0
129.01945	8.0
130.99809	1.1
139.03777	0.9
173.00922	3.8
181.23724	1.1
191.01976	83.7
208.94363	1.0
280.22214	1.0
283.24576	1.0
355.92105	1.1
445.45752	1.0
470.03888	1.0
534.62024	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	694.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87097	1.5
59.01368	1.5
64.69602	1.4
68.02858	1.4
86.02448	1.5
90.11481	1.6
107.19267	1.3
120.01228	42.7
122.06078	7.3
123.06892	1.5
138.09230	6.7
146.06079	10.4
147.06940	2.2
171.06303	1.6
202.37123	1.4
226.12335	2.9
227.08495	12.3
241.09811	35.8
242.10590	17.7
255.11371	22.3
259.14511	23.3
269.08466	12.5
269.12924	31.5
270.08597	14.3
270.13629	3.7
271.14438	5.9
279.35428	1.6
313.11810	2.7
314.12790	3.5
380.16736	4.9
394.21136	2.6
573.26666	6.8
607.26117	1.9
648.32971	1.6
650.18274	11.3
650.27448	1.7
694.29114	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	694.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49997	2.1
56.74089	2.2
65.15486	2.9
78.27338	2.3
79.32427	2.4
86.02446	2.6
87.30696	2.1
92.19303	2.5
96.96011	4.2
99.37454	2.3
120.01231	20.9
122.06094	4.0
146.06113	5.0
172.07637	3.1
200.07147	4.2
202.05086	11.9
227.08218	14.0
241.09818	39.0
242.10619	13.6
255.11345	21.7
259.14499	16.2
262.07190	14.6
269.04517	2.7
269.12936	31.2
270.08530	2.8
270.13818	5.2
314.07730	3.0
314.12878	4.0
573.26947	3.1
607.26282	2.9
694.29156	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	694.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75557	1.3
55.00030	1.2
55.72673	1.3
57.22227	1.7
59.01375	1.9
67.67944	1.5
69.83626	1.3
70.41045	1.5
92.19999	1.7
100.03969	2.1
128.03506	16.4
134.03741	16.6
143.04596	2.7
149.06079	74.7
161.02469	2.5
162.06882	2.8
175.03964	32.6
178.02646	6.4
186.04649	1.7
193.05077	49.0
217.07408	2.6
219.08937	3.5
232.09753	19.2
234.11279	3.3
244.06070	1.8
260.09262	16.2
277.09543	7.5
278.10336	10.8
292.11969	20.7
295.53409	1.9
306.07578	3.9
320.28781	1.7
403.13763	1.9
426.93936	1.7
514.17004	3.8
532.18573	3.8
676.22760	3.7
694.23535	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	694.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.3
71.01364	2.1
73.02927	2.6
87.00872	1.9
92.19349	3.4
101.02442	2.2
120.01226	2.1
156.08182	9.5
158.06096	2.2
172.07652	24.7
174.05615	1.9
200.07195	25.9
202.05107	66.7
218.08160	3.2
241.09848	2.1
244.05898	1.8
251.37440	2.0
262.07193	100.0
269.08215	12.2
269.12842	2.4
270.08539	8.6
310.46210	1.6
387.16696	12.1
650.18036	9.2
694.29517	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	694.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84604	0.8
59.01372	5.4
59.44211	0.7
71.01356	2.0
85.02958	1.3
87.00866	1.7
96.96030	1.1
101.02442	1.1
110.60404	0.9
113.02386	4.1
135.72592	0.9
142.05501	0.8
156.08223	8.3
158.06030	1.3
172.07664	27.6
174.05569	1.6
200.07162	25.2
202.05090	56.6
218.08235	4.5
262.07190	100.0
267.06247	1.0
269.04642	3.7
270.04681	3.7
387.16556	10.0
392.65781	1.0
475.84250	0.9
611.30890	1.0
650.27411	1.1
694.69904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.4
61.50784	0.5
67.49722	0.5
87.64577	0.6
148.05096	0.5
240.31494	0.6
255.66664	0.6
411.28998	0.8
427.32166	1.1
441.29767	0.6
453.30118	14.7
471.31171	100.0
633.36066	5.6
693.38544	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	693.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19685	1.4
57.70306	1.5
59.01374	100.0
62.81744	1.5
71.01367	9.1
72.99305	2.7
73.02942	1.6
75.00870	2.5
83.01393	1.8
85.02938	2.9
87.00848	6.1
88.06142	1.5
89.02421	1.8
101.02425	10.8
103.99046	1.5
113.02425	6.4
128.57535	2.6
130.99847	2.9
183.23360	1.5
269.04559	3.5
347.20929	3.3
389.21817	28.8
412.35721	1.7
431.23273	2.4
649.27728	7.3
693.32611	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	693.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.1
61.29941	0.8
71.01378	7.7
71.91337	1.0
89.02443	11.1
96.95995	37.8
96.96960	3.8
101.02454	6.5
110.81599	0.8
113.02431	4.5
116.11477	0.8
119.03485	4.4
125.09722	6.6
136.60179	0.9
153.09193	12.8
167.10709	1.7
171.10251	29.7
197.08133	7.9
200.70656	0.9
213.11363	1.2
213.66666	0.8
215.09259	24.8
234.81969	1.0
238.28676	0.9
257.10321	4.1
333.15640	3.7
359.13190	1.4
377.14545	100.0
558.84644	1.1
693.24451	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	693.2514
Annotation	CHEBI:69683
Peak:m/z	Relative Intensity
59.01357	2.8
60.87379	1.1
70.65921	1.2
71.01366	5.8
75.00850	1.8
84.04524	1.6
85.02950	2.4
89.02424	2.5
96.95995	3.3
98.02532	1.3
109.04047	8.3
113.02428	2.9
114.27189	1.3
127.05113	56.3
128.03523	10.7
145.05032	2.3
145.06174	56.1
154.10356	1.5
168.99469	1.9
169.06186	2.2
213.07491	1.5
235.80130	1.4
299.09271	8.8
311.09198	3.2
313.10818	19.7
325.10977	1.8
326.07599	1.9
338.07980	6.4
341.10233	23.0
353.10260	10.0
355.11893	11.7
367.11853	6.3
427.15173	7.7
439.14969	10.0
442.17252	11.2
454.17395	3.1
457.19980	2.6
469.15927	1.9
501.18845	7.2
513.18835	2.5
531.19928	9.6
649.27094	10.9
693.25171	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	693.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51862	1.0
56.78242	1.2
58.64327	1.1
60.61077	1.0
63.67051	1.0
65.57737	1.3
66.14349	1.2
78.05788	1.3
96.96992	1.3
99.04508	12.0
108.55853	1.7
115.03992	2.2
125.02425	75.4
143.03511	9.2
187.02477	100.0
198.12424	1.3
278.58609	1.3
333.66562	1.4
582.41711	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	693.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21544	1.9
51.69095	2.0
54.94534	2.3
59.01380	90.9
71.01371	100.0
72.61892	2.3
73.02937	23.0
81.03436	2.9
83.01375	12.3
85.02956	25.6
87.00851	14.1
89.02432	99.4
91.06588	2.6
95.01377	4.8
97.02933	13.5
99.00880	13.0
101.02435	94.8
101.75252	2.7
102.63335	3.0
110.40823	2.6
111.00851	10.0
113.02432	64.1
115.67587	2.7
119.03475	29.8
124.60888	2.6
125.02425	26.0
131.03503	22.1
133.10754	2.4
133.86177	2.6
141.01889	3.0
143.03522	19.4
145.33479	2.6
159.02959	4.1
161.04547	37.0
173.93878	2.7
179.05573	23.6
201.78621	2.4
202.21361	2.5
221.06696	31.4
233.54407	3.3
245.06598	2.9
263.07742	3.9
323.09787	12.9
341.10742	11.3
383.11838	13.1
589.21399	95.1
607.22534	84.4
649.23633	71.8
693.34180	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	693.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65466	1.0
50.90164	0.9
59.01382	2.2
63.82254	1.0
71.01366	2.3
78.36857	1.1
89.02451	2.4
96.96938	2.8
107.52938	1.1
109.04059	15.4
125.02474	1.2
127.00668	2.7
135.01984	20.4
143.00185	4.6
170.99667	17.0
172.55464	1.4
172.91023	1.3
179.27968	1.2
187.02396	1.4
188.85257	1.1
189.00652	9.2
252.56709	1.4
351.06000	100.0
428.55304	1.5
498.68182	1.7
698.86322	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	693.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55458	0.8
54.46120	0.8
58.83318	0.9
59.01371	4.4
71.01363	4.1
71.13803	0.9
78.95895	3.9
79.95753	1.0
82.04056	1.6
96.95992	100.0
96.96899	8.0
101.02424	2.5
113.02450	1.8
125.67033	1.1
126.58236	1.1
131.03476	1.2
141.09222	4.8
161.64891	0.9
223.05978	2.3
355.23361	1.8
693.33716	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	692.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41964	1.1
69.49020	1.3
106.39948	1.4
128.03513	9.5
133.07317	1.7
148.36636	1.5
152.01140	1.4
169.23589	1.5
172.90791	1.3
179.99521	1.5
191.07167	8.3
192.57097	1.3
256.02930	1.6
297.07629	8.7
298.08322	2.5
309.07761	6.8
311.09244	7.0
312.10095	21.3
313.10834	6.2
313.59491	1.5
319.60062	1.7
324.06592	1.8
324.10037	3.6
326.11700	5.6
327.12427	29.5
334.08295	1.5
338.07855	1.9
339.08664	2.7
339.12451	1.6
352.09402	3.1
353.06631	2.0
353.10376	2.8
356.09216	2.2
365.10358	1.4
368.08994	1.9
371.11407	3.1
383.11374	11.5
409.95166	1.8
410.16425	1.9
438.12003	6.3
453.14392	7.8
468.16620	1.9
512.15558	2.5
530.16803	6.1
622.19012	1.5
692.21997	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	691.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
59.01375	100.0
59.98518	1.6
62.16442	1.4
69.03460	2.3
71.01366	21.3
73.02935	30.7
75.00837	2.8
83.01373	6.4
85.02953	3.7
87.00829	2.1
89.02413	14.8
97.02939	13.0
98.03705	3.5
101.02425	25.4
113.02421	17.8
119.03529	3.0
125.02451	1.6
131.03479	1.8
131.07141	3.0
148.47726	1.6
149.04501	1.7
158.09654	2.7
161.04497	8.3
177.05464	2.0
179.03526	3.4
179.05556	1.7
187.12445	1.9
212.14403	3.8
221.06642	3.3
239.05565	14.6
272.26172	1.5
279.88406	1.7
297.19727	2.1
299.17618	51.0
347.17114	31.1
431.73523	1.8
482.62448	1.8
647.25330	6.1
647.35370	57.1
647.46289	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	691.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	65.8
65.80656	4.1
71.01367	24.4
73.02938	8.4
85.02924	9.2
85.11800	3.9
87.24601	5.5
89.02411	8.6
96.95988	7.9
101.02434	39.0
107.04994	5.2
113.02422	69.1
121.10173	7.3
123.56077	3.9
126.19533	3.8
131.03487	5.2
161.04565	6.4
387.16672	100.0
544.17529	4.7
647.26050	8.8
691.30853	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	691.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04665	1.5
55.41399	1.4
59.01379	45.1
60.72399	1.8
67.28309	1.6
69.51593	1.8
70.95027	1.7
71.01362	11.8
73.02939	39.7
83.01382	9.1
89.02440	2.9
95.68993	1.9
101.02423	30.5
105.19817	1.9
113.02416	9.0
115.75851	2.0
121.10233	22.4
161.04486	2.7
209.94867	1.8
223.51695	1.9
328.62488	2.0
387.16595	100.0
527.29218	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	691.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13705	0.7
57.03446	23.0
59.01374	14.0
64.19898	0.8
92.90948	0.8
99.04509	36.5
101.02436	5.5
112.25259	0.9
115.45675	0.8
117.05544	1.6
125.02433	7.6
132.27597	0.9
135.04492	1.4
135.06593	7.1
143.03555	1.0
153.03378	1.1
161.04515	1.5
177.07620	1.3
249.12439	100.0
279.10852	48.9
299.69080	0.8
411.17740	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63860	1.0
55.01890	1.6
59.01086	1.5
59.01378	45.0
65.97846	1.1
71.01379	28.5
73.02935	10.0
76.98997	1.2
83.01367	4.4
85.02930	13.6
89.02431	22.7
95.01347	2.0
96.96003	1.6
99.00896	2.5
101.02425	30.0
113.02416	19.0
113.27408	1.2
119.03468	7.5
125.02383	2.9
161.04492	1.7
167.80675	1.2
189.52310	1.2
265.48895	1.1
391.52548	1.3
411.26215	1.5
414.73730	1.2
605.25024	1.1
647.25659	100.0
709.20135	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	691.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02686	1.2
57.03450	2.1
59.01378	29.0
71.01373	18.7
72.99307	7.6
73.02937	8.0
75.00867	31.2
77.34716	1.5
83.01380	2.2
85.02940	27.4
87.00855	13.6
88.72557	1.3
89.02441	6.5
93.97180	1.2
95.26788	1.3
96.95994	2.5
97.06584	5.8
99.00865	14.3
101.02418	3.5
106.03214	1.3
113.02430	34.6
115.00378	1.9
117.01926	2.5
138.05626	3.0
169.08691	2.2
173.04518	7.2
259.10770	2.5
267.15961	5.7
281.03409	1.4
295.13229	1.5
321.10974	8.4
515.46796	1.8
522.84100	1.4
583.40234	1.7
647.25574	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	691.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97784	0.5
53.39860	0.6
56.74204	0.6
59.01378	21.9
71.01370	3.8
73.02934	5.6
85.02923	1.4
87.00859	1.2
89.02441	2.9
91.98678	0.6
101.02419	6.5
113.02414	2.8
133.02911	1.2
135.02872	0.7
135.04510	21.1
142.95241	0.6
152.01421	0.7
155.30380	0.6
161.02428	100.0
161.04573	5.5
179.03487	49.7
179.05568	7.1
195.83536	0.7
221.06680	1.3
305.12451	7.5
341.08749	85.6
362.13205	0.7
451.25598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88511	0.8
52.11984	1.0
54.80462	0.8
58.02973	14.5
70.02954	7.0
79.06461	0.8
91.05504	10.7
103.74144	0.9
104.02534	1.2
133.69646	0.9
136.12128	0.9
147.04529	21.5
162.09277	1.2
164.07170	87.5
175.93985	0.9
206.08218	100.0
227.47601	1.0
250.07195	5.2
273.67862	1.0
297.41580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07201	0.3
57.23233	0.4
59.01376	2.1
59.29302	0.4
67.06966	0.4
68.19827	0.5
71.01379	1.8
75.00867	0.8
79.95738	0.6
85.02939	0.9
96.95996	100.0
113.02445	2.7
170.33308	0.4
173.04591	0.4
173.86876	0.5
206.36394	0.5
211.11259	0.4
223.06133	0.9
353.06711	3.7
365.06616	0.6
383.07645	2.0
451.62943	0.5
491.28696	0.5
516.33081	0.5
593.15137	4.0
631.30475	0.5
647.25970	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	689.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87393	1.5
58.72522	1.5
59.01374	30.9
65.20153	1.4
69.71746	1.2
71.01371	32.9
73.02930	13.2
83.01358	2.3
84.18307	1.5
85.02960	12.2
87.00858	2.9
89.02425	27.9
96.95981	2.4
97.02926	6.3
99.00835	2.1
101.02434	40.3
111.00856	2.7
113.02438	19.4
115.03903	1.7
119.03475	7.6
121.05457	1.6
125.02425	9.0
131.03458	2.7
143.03484	6.9
161.04588	12.4
179.05583	2.2
182.45883	1.6
221.06638	3.5
245.06676	2.2
270.72119	1.4
309.24603	1.8
323.10037	2.1
366.39001	1.6
503.19803	1.7
530.15997	1.9
629.26660	100.0
629.37036	3.3
712.77216	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	689.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01377	13.3
63.98575	1.3
68.74326	1.3
71.01382	10.6
72.99313	1.6
74.02438	3.1
75.00865	10.4
85.02927	11.0
87.00878	2.2
89.02440	5.2
92.19267	1.5
99.00844	2.8
101.02410	6.8
106.87073	1.4
113.02441	19.3
115.00333	1.9
115.46161	1.3
121.02924	2.2
148.04062	2.2
161.04718	3.6
165.01878	2.0
175.05063	6.4
203.04652	1.8
203.08292	2.9
233.09239	2.9
236.21754	1.3
244.09915	10.2
245.09259	13.0
246.09761	1.4
254.22310	1.5
321.20740	6.0
333.20874	2.0
351.21722	9.5
399.09256	5.5
407.50476	1.5
486.19153	2.7
513.26953	3.0
527.25165	2.2
642.17462	1.7
645.24182	5.5
653.28094	10.3
689.30310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.1
62.89863	0.8
71.01375	1.0
96.95982	1.9
97.06550	1.3
101.02455	1.2
123.08143	22.3
125.09714	16.0
133.06560	1.2
141.09200	2.4
151.07625	24.5
163.04105	1.2
165.05502	2.4
166.10112	1.1
167.07132	1.0
169.08681	15.4
178.64755	1.2
195.06599	6.2
208.75446	0.9
213.07681	100.0
253.31078	1.0
378.33459	1.1
454.99655	0.9
596.19867	1.1
597.59540	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	689.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89748	1.6
59.01378	41.1
71.01373	35.3
72.99320	2.9
73.02925	13.9
77.91596	1.7
83.01372	3.2
85.02945	11.1
87.00882	3.0
89.02421	19.7
93.03445	4.3
95.01373	2.6
96.95972	2.3
99.00864	8.0
101.02427	35.4
102.03914	2.0
109.91596	2.3
113.02436	26.2
119.03426	7.2
128.45000	1.9
131.03500	11.6
133.06601	4.6
137.02411	21.5
139.07631	8.3
143.03481	2.3
159.02943	2.3
161.04520	23.9
161.61996	1.8
179.05647	2.6
217.12367	3.1
221.06613	12.4
645.24054	100.0
689.31067	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	689.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
59.66664	0.4
59.88085	0.6
71.01382	0.8
79.43008	0.6
92.20019	1.1
93.03442	30.4
137.02428	100.0
138.83102	0.6
162.82275	0.5
190.75208	0.5
194.19681	0.6
200.81024	0.5
229.08798	0.5
236.20714	0.6
241.26048	0.6
286.81470	0.7
335.75046	0.6
584.49341	0.6
585.42328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66994	0.5
51.13448	0.6
55.31523	0.6
59.01381	10.1
61.65356	0.6
66.01598	0.6
71.01366	4.9
77.30631	0.7
78.97998	0.6
82.06607	0.8
83.72216	0.7
89.02437	8.0
101.02415	3.8
113.02425	2.6
116.05087	0.7
119.03515	1.0
130.08720	100.0
131.16159	0.7
139.08736	1.1
139.34941	0.8
143.11890	13.6
146.06100	5.5
156.06624	0.7
214.12372	58.2
215.08281	1.1
231.14941	1.3
245.16586	0.9
257.12912	1.5
257.20880	0.7
284.33707	0.7
286.25839	0.7
302.12775	1.4
327.63708	0.9
336.03134	0.8
358.24619	1.2
402.24036	7.2
688.34546	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	84.9
59.55570	2.1
71.01375	82.8
73.02938	19.5
83.01382	4.4
85.02927	18.9
87.00856	10.8
89.02428	90.1
96.62611	2.6
96.96030	3.1
97.02915	10.6
99.00873	5.3
101.01783	4.8
101.02434	100.0
103.66807	2.3
111.89086	2.7
113.02436	54.4
119.03487	38.5
122.90871	2.8
125.02418	12.6
131.03503	22.7
143.03506	12.2
148.83073	2.7
157.21162	2.7
160.07707	4.8
161.04527	26.5
179.05617	16.2
186.51976	2.6
221.06693	21.6
245.06725	3.1
264.78851	2.7
322.12860	10.4
323.09656	4.8
364.13751	3.9
383.11847	5.2
466.17398	4.6
526.19220	4.2
628.22418	74.8
646.23523	60.4
688.24658	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77128	1.4
55.95937	1.6
56.27869	1.4
86.02461	9.9
86.27619	1.7
96.54388	1.5
96.95956	1.7
120.01211	8.3
149.02359	3.8
150.03201	24.5
151.03999	19.6
153.05556	11.5
163.38826	1.7
164.04782	16.4
165.05551	85.6
177.05421	1.6
179.07137	100.0
181.05045	13.5
195.06616	24.2
243.06876	7.1
285.51071	2.0
297.92874	1.8
391.12360	24.4
439.14407	3.5
526.17560	11.4
688.22736	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37070	1.0
55.01860	1.7
57.03440	1.5
58.92586	1.1
59.01381	49.7
59.01652	1.8
63.03542	1.1
63.37145	1.0
71.01376	34.5
73.02937	13.4
80.41005	1.4
81.48029	1.2
83.01383	7.3
83.61275	1.2
85.02940	11.9
87.00849	1.4
89.02438	16.2
92.19411	1.5
95.01369	1.7
99.00853	6.5
101.02427	34.8
111.24187	1.3
113.02457	21.3
119.03471	2.5
125.02407	4.9
131.03506	1.5
143.03526	2.0
159.02946	2.6
161.04576	10.4
173.04562	2.3
173.11758	5.2
277.37140	1.3
319.22766	4.7
321.24304	5.7
372.07184	1.3
483.30011	4.3
525.30975	8.3
645.35107	6.9
687.36084	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	687.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12583	4.3
58.44936	3.9
59.01379	37.8
67.44041	3.4
149.02481	6.6
150.03212	74.7
164.04782	6.7
165.05565	100.0
195.06660	32.4
222.01137	4.8
323.09128	6.3
338.11298	5.4
399.14575	40.8
466.62711	4.1
547.19574	31.7
595.22083	47.8
655.24231	5.1
687.35779	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	687.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77750	1.1
53.83776	1.3
57.03426	2.6
59.01375	16.0
60.51714	1.2
71.01375	16.4
72.99273	1.7
73.02919	5.7
75.00866	21.8
83.01383	1.6
85.02932	28.9
87.00833	3.3
89.02436	3.4
92.19413	2.1
95.01379	2.1
99.00847	8.7
101.02435	15.7
106.60347	1.5
113.02423	32.0
115.00299	2.6
118.82769	1.6
141.33109	1.3
161.04395	1.8
175.02309	1.4
249.23233	1.3
305.21115	2.2
351.59604	1.8
439.95435	1.8
467.26373	11.3
601.00787	1.7
643.28046	3.5
687.28510	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	687.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.6
57.03463	2.2
59.01378	39.3
61.17859	2.6
62.27713	2.5
65.49920	2.6
65.65644	2.7
65.83685	3.0
67.69984	2.5
71.01374	29.5
71.89875	2.7
73.02938	15.4
75.66875	2.5
78.09818	2.3
79.27931	2.8
79.65440	2.8
83.01414	4.6
85.02962	18.9
86.58275	2.6
87.00867	6.6
89.02435	19.5
92.78747	2.6
96.47756	2.5
101.02437	29.8
102.74267	2.6
111.31797	2.4
113.02422	23.0
116.24664	2.5
119.03512	4.8
131.03555	6.5
131.25847	3.0
154.90717	3.3
161.04567	11.6
162.34489	2.7
181.95970	2.6
221.06667	5.9
241.12305	3.6
251.57063	3.0
260.54706	3.5
273.70288	3.1
327.61664	3.0
390.31494	2.9
643.26239	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	687.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53531	1.3
58.49223	1.5
59.01377	19.5
69.98432	1.8
71.01361	2.2
73.02930	26.3
77.32798	1.8
81.07098	2.0
83.01395	2.0
85.02886	1.8
96.95989	1.8
98.97188	1.7
101.02413	13.7
103.31761	1.6
107.05025	14.5
108.02153	2.0
121.02885	1.9
123.66648	1.6
125.06046	4.2
131.49825	1.8
133.06587	6.7
135.04543	1.5
137.09686	1.8
142.87308	2.0
149.06064	26.2
170.59914	1.6
173.71927	1.5
177.05553	34.2
179.03487	67.2
185.77168	1.8
195.06599	8.5
239.03157	3.5
239.05600	100.0
249.47922	1.7
254.08208	2.2
403.16043	44.5
536.31738	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	687.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
59.01374	33.0
71.01372	27.7
72.99310	2.1
73.02931	9.9
75.00864	29.4
83.01378	5.7
85.02943	33.0
87.00879	9.7
89.02419	13.9
95.01380	2.1
97.02939	2.3
99.00855	10.6
101.02428	16.5
113.02425	44.0
115.00373	2.7
117.01987	2.2
119.03500	1.5
125.64732	1.3
131.03471	9.0
146.82141	1.3
155.05963	1.3
164.65300	1.5
173.04480	12.7
234.62790	1.4
289.18109	2.8
349.20139	3.0
599.23517	100.0
643.22375	32.8
687.20703	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	687.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
67.01909	0.8
67.77884	0.5
71.01348	1.3
79.65105	0.5
80.82547	0.6
85.02943	0.9
89.02442	0.9
101.02406	1.2
107.01404	0.6
108.02156	14.0
123.03661	1.0
123.04505	18.3
150.03189	4.9
151.04089	0.7
152.01143	51.3
165.05525	10.7
166.02687	1.4
167.03477	100.0
195.06595	2.8
209.04585	0.6
244.07468	1.1
259.09711	1.4
365.25070	0.7
375.70212	0.7
398.44659	0.6
411.97293	0.7
437.67987	0.6
534.83417	0.7
687.21448	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.9
59.11398	1.5
67.01869	2.1
71.01382	16.2
72.98535	1.2
73.02924	2.6
85.02943	2.6
87.00866	2.2
89.02430	21.7
90.44935	1.4
94.27216	1.3
96.95975	8.2
99.00858	2.0
101.02428	14.8
101.19780	1.3
107.01360	2.0
108.02161	20.0
111.00850	2.0
113.02427	12.1
113.40170	1.5
119.03452	9.1
123.04510	23.0
131.03484	6.1
152.01137	65.7
160.05295	2.5
161.04536	8.3
161.05806	1.3
162.03174	8.7
166.02719	2.9
167.03482	100.0
167.55734	1.4
177.05563	5.4
179.05591	7.1
195.06532	1.6
204.13852	1.7
221.06595	10.4
263.07736	8.6
268.07251	1.4
327.08878	4.9
337.40744	1.4
423.74673	1.5
426.94824	1.4
519.17096	3.1
550.83264	1.5
687.21338	74.3
694.24292	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	685.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.3
71.01380	1.3
71.05008	5.4
83.04993	1.5
86.53068	0.9
96.96030	1.1
101.02399	1.3
124.95261	0.9
127.11280	36.7
153.09216	8.0
171.10263	100.0
175.02780	0.9
206.16455	1.1
234.53627	0.9
247.14429	3.8
267.39783	1.0
292.85498	1.0
472.28036	1.1
499.32907	6.8
680.20245	1.0
685.34393	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	686.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38987	0.7
63.07084	0.8
63.25534	0.8
71.25723	0.7
74.05792	0.8
101.70782	0.8
121.02913	1.7
163.04033	3.6
172.09766	1.1
223.04315	1.4
243.33858	0.9
258.13507	1.0
308.19791	35.2
350.20862	18.6
389.03845	0.9
472.24512	100.0
682.10223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82571	0.8
55.01878	1.1
59.01379	30.5
60.45889	0.7
61.84273	0.9
63.07723	0.8
64.03257	0.9
68.65180	0.8
71.01371	26.9
71.59376	0.7
73.02938	7.6
83.01372	5.0
85.02945	15.7
87.00870	1.0
89.02430	10.8
95.01353	1.4
96.54070	0.8
97.02929	1.7
99.00861	4.1
101.02431	29.4
112.01632	3.8
113.02427	17.7
119.03455	3.7
125.02435	1.9
131.03458	1.0
143.03474	1.9
159.03011	1.2
161.04524	4.5
253.88463	0.9
319.22812	23.4
389.23309	1.2
463.27158	6.6
481.27890	7.2
521.90302	1.0
523.29199	4.0
540.68854	0.9
643.33252	4.4
685.34473	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	685.2718
Annotation	(+)-secoisolariciresinol diglucoside
Peak:m/z	Relative Intensity
59.01376	15.4
67.22305	8.2
67.73476	8.3
71.01371	12.4
75.00854	13.1
85.02917	16.3
89.02398	13.4
101.02445	9.0
113.02451	32.7
159.81876	10.9
169.31480	8.8
248.69662	8.7
322.62500	9.3
369.84653	9.1
685.26965	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	685.2727
Annotation	(+)-secoisolariciresinol diglucoside
Peak:m/z	Relative Intensity
55.85921	1.4
59.01381	22.0
68.21362	1.7
71.01374	15.4
72.99293	2.6
73.02926	9.0
75.00854	20.8
79.75249	1.7
85.02943	19.8
87.00866	6.0
89.02415	6.8
99.00853	8.9
100.40420	1.5
101.02428	9.5
113.02435	28.1
116.92815	3.2
119.03437	2.2
153.05516	2.0
165.05544	2.8
166.06310	8.9
173.04546	2.1
224.06764	2.7
225.07634	15.8
226.07965	4.0
227.08093	2.1
285.18643	2.5
298.03918	1.8
324.90240	2.0
347.18893	5.9
437.79431	1.8
447.43246	2.1
509.23862	9.1
545.47107	1.9
613.27960	1.8
623.26752	2.0
641.23401	40.2
685.27185	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	685.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01881	0.6
57.63395	0.6
64.79224	0.6
68.72844	0.6
71.01351	1.3
90.07784	0.6
96.65399	0.7
98.13565	0.7
110.69392	0.6
120.69431	0.6
122.03706	1.1
135.04465	0.9
151.04019	2.4
155.67311	0.6
161.06088	1.0
163.03984	4.3
164.04770	1.6
166.02757	1.0
166.06311	0.8
180.07901	12.3
182.05820	4.3
190.06337	2.6
191.07158	1.1
192.07938	3.3
194.05833	9.5
194.09555	1.3
195.06606	9.7
195.10326	1.2
197.26425	0.7
209.08281	0.8
210.08896	3.4
212.06908	8.5
223.09752	0.8
226.08495	2.7
242.08115	1.2
297.11301	0.9
313.10785	2.6
316.13098	15.6
328.13138	19.9
331.15515	60.5
343.15509	31.8
346.14090	1.7
361.16565	100.0
467.49817	0.7
523.21869	59.2
605.93872	0.8
709.17194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97576	2.5
59.01379	34.4
71.01379	38.7
73.02939	11.7
85.02952	6.3
87.00853	5.4
89.02422	61.5
91.74680	3.3
92.19957	3.3
94.76528	3.0
96.95999	3.6
101.02434	36.7
113.02425	21.6
119.03463	18.1
119.04990	3.6
125.02412	5.2
125.06059	7.1
131.03470	12.8
137.06064	19.8
161.04573	26.0
165.28293	3.0
175.73807	3.1
176.64635	3.2
179.05659	3.4
181.05054	17.2
187.09821	3.4
208.93462	2.8
221.06682	13.7
231.08704	12.1
343.10233	14.5
401.08975	3.1
685.25623	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	685.2716
Annotation	(+)-secoisolariciresinol diglucoside
Peak:m/z	Relative Intensity
55.01868	2.0
57.63489	1.7
59.01384	37.8
65.32658	1.7
71.01377	29.2
73.02954	8.4
74.61829	2.0
83.01362	2.5
85.02957	15.2
87.00862	2.5
89.02435	20.8
99.00840	2.6
101.02437	24.7
105.92041	2.0
110.03134	2.0
113.02444	12.8
119.03481	3.5
121.02910	2.9
125.02467	2.4
134.72583	2.2
161.04572	2.4
163.03954	2.2
165.05568	9.9
203.08177	3.3
245.09384	2.7
293.69815	2.2
313.14508	3.8
328.13211	2.8
343.15402	5.1
346.14209	15.3
347.15015	4.1
361.16608	80.6
384.44232	2.1
396.93051	2.7
461.50140	2.3
523.21759	25.1
567.26428	2.5
685.27032	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	685.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80697	3.2
59.01376	76.1
71.01373	56.0
73.02929	32.3
74.85396	2.7
83.01386	6.8
85.02935	17.2
87.00869	6.5
89.02428	45.4
89.13988	3.0
90.90481	2.9
97.02908	3.2
99.00858	7.2
101.02431	61.8
113.02444	38.3
119.03468	6.8
125.02400	5.0
140.80962	2.9
143.03458	3.1
161.04547	16.0
186.18083	2.8
198.10768	3.2
203.20169	2.8
249.50035	2.8
305.15704	3.0
437.20514	4.4
442.06400	2.9
452.56854	2.9
581.24622	55.2
599.25641	39.4
637.97919	3.1
641.26904	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	685.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95624	3.8
56.26386	4.3
57.80806	4.4
59.01374	38.2
61.22888	4.3
67.96479	4.4
68.21531	4.1
69.08468	4.0
72.43571	4.5
81.52396	5.0
87.32555	4.5
101.02448	4.7
107.05009	23.5
113.89088	4.5
115.93586	4.9
122.15643	5.2
135.04506	100.0
165.05527	18.5
168.25418	5.1
174.31648	5.3
180.04308	7.6
215.12877	6.4
257.86111	6.2
441.15164	7.2
667.24408	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	685.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24229	0.8
58.33526	0.7
59.01377	33.0
87.23879	0.8
92.19963	2.7
106.04217	1.2
107.05014	19.0
124.15144	0.9
134.03731	7.3
135.04515	100.0
139.33551	1.0
165.05545	17.7
186.15933	1.0
215.07173	1.2
226.35951	1.0
271.54276	0.9
283.06033	1.6
313.07034	1.8
335.09079	1.4
351.08850	1.8
367.12112	1.3
411.10675	7.2
426.12991	1.7
431.11377	4.5
441.15396	6.3
457.13260	1.1
472.15247	1.2
485.15994	4.4
487.17828	1.4
499.17877	2.1
501.17841	10.8
529.14990	5.2
547.19531	4.8
559.19623	1.3
565.20978	2.1
594.96252	1.0
595.21881	18.0
607.21893	4.7
619.21698	10.4
667.23969	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63330	1.2
59.01381	8.7
59.61015	1.1
59.73654	1.0
71.01375	6.3
73.02938	1.1
85.02931	2.1
86.09508	1.1
89.02435	6.8
91.05474	1.4
101.02428	5.4
108.02140	2.3
113.02446	2.6
118.06579	2.0
123.04453	1.5
134.76904	1.4
147.04503	12.3
152.01138	12.0
153.01494	4.3
164.07182	21.2
167.03479	16.3
168.03799	4.9
198.22093	1.2
200.67656	1.2
203.11986	4.6
215.11823	5.0
246.11230	4.2
256.15784	1.5
271.18140	2.3
282.16403	1.2
300.17136	1.6
307.11020	1.6
314.18796	14.9
400.23972	1.7
418.25113	2.8
430.23996	1.3
447.21664	9.3
462.24063	22.6
462.45886	1.1
610.27545	5.4
624.29303	100.0
684.22705	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	685.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02573	0.8
59.01372	8.8
62.00227	1.1
71.01363	1.2
71.14892	0.8
75.00823	1.2
81.06927	1.0
83.01378	2.0
89.02429	1.5
96.88650	0.9
96.95981	1.2
99.46809	1.1
110.00103	1.3
111.00887	7.0
113.02403	2.3
123.00846	2.0
125.95066	1.1
127.00359	2.1
136.98776	1.8
138.03189	9.8
139.00359	78.5
153.01930	13.1
154.02739	2.1
166.02693	28.4
180.04233	4.7
183.09804	0.9
211.09808	1.4
346.10608	7.2
361.12939	100.0
421.18469	1.2
510.88547	1.2
539.24536	1.1
679.17377	1.0
685.24347	5.7
698.63403	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	684.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
59.34787	0.7
63.61662	0.7
85.02917	1.1
92.19381	1.0
94.41927	1.0
94.98297	0.9
110.95750	0.9
113.02455	1.0
113.64941	0.9
130.76083	0.8
133.95946	0.8
135.05602	1.3
282.45615	0.8
360.18179	100.0
484.23892	0.9
631.24921	1.1
638.29004	1.0
684.29248	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	684.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92010	0.7
79.26635	0.7
82.21363	0.6
92.66740	0.7
99.05641	1.2
121.02924	3.3
135.04509	100.0
137.12674	0.8
139.70721	0.7
142.43164	0.8
161.02411	5.5
195.91064	0.7
207.03976	0.8
275.81104	0.7
291.17096	10.6
308.19775	4.5
334.17734	35.0
391.22845	0.7
470.22934	72.0
571.88818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03447	4.2
59.01083	0.9
59.01377	24.6
65.71246	0.6
71.01369	9.2
73.02931	3.7
75.00863	2.4
83.01357	2.9
85.02925	7.9
87.00852	1.0
89.02431	3.0
95.01344	0.9
96.95981	2.5
99.00871	0.8
99.98202	0.6
101.02419	11.5
101.06059	3.7
106.73279	0.7
113.02422	9.2
116.92853	1.1
118.37095	0.5
119.03407	0.6
154.99576	0.6
159.03003	0.6
161.04538	1.1
197.78114	0.7
272.27469	0.5
322.80032	0.6
461.32791	1.0
516.64130	0.7
597.25934	0.9
623.38385	4.9
639.27911	3.6
665.39215	13.3
683.29492	4.1
683.40076	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	683.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	61.6
68.80202	2.8
69.01234	2.6
69.61703	2.6
71.01377	55.1
73.02933	23.5
73.87044	2.9
83.01379	6.8
85.02924	20.0
89.02431	54.5
90.81529	3.2
95.01369	3.4
95.96742	2.9
97.34421	3.2
99.00854	4.3
101.02419	51.7
108.64929	3.1
113.02443	39.3
119.03478	5.1
125.02388	4.1
131.03467	14.8
143.03525	4.2
159.08118	6.4
161.04559	24.0
163.11256	4.8
179.05556	17.6
221.06654	27.2
229.29201	3.4
263.07678	3.3
299.20193	100.0
317.21426	24.8
321.26248	3.1
331.78333	3.7
399.33121	3.6
421.39853	3.3
461.32788	27.8
525.39044	3.0
641.31763	11.5
647.27209	4.1
683.31311	92.7
683.42017	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	683.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40907	0.4
58.02963	4.1
59.01382	6.0
70.02969	8.4
70.42769	0.4
72.04545	0.9
74.02463	35.6
77.76817	0.4
78.28454	0.4
98.02456	7.6
101.02415	0.9
116.03518	23.6
116.05032	8.3
130.06575	0.8
138.55083	0.5
141.78421	0.5
142.06639	1.7
151.73038	0.5
159.09238	2.8
173.32925	0.5
174.14174	0.4
183.09309	0.9
201.10345	7.8
203.08258	65.1
245.09294	100.0
289.08286	4.8
349.18427	3.5
373.13376	0.5
479.23267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86273	1.0
55.34777	1.1
57.77816	1.1
59.01379	84.1
65.31260	1.1
71.01376	50.3
72.99299	1.3
80.78416	1.1
85.02944	9.4
87.00858	16.7
89.02429	100.0
96.95930	1.1
101.02431	32.1
102.11932	1.1
113.02429	26.3
119.03475	33.7
131.03493	2.0
135.04509	1.5
143.03487	4.9
149.04483	1.3
161.04550	9.7
179.05606	67.9
187.07651	2.1
213.07657	5.6
359.14716	1.9
521.20349	5.5
683.32098	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	683.256
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92935	1.4
71.01347	1.4
71.16145	1.5
95.54778	1.6
101.02403	1.9
113.02412	4.0
136.25111	1.6
160.05278	3.7
161.04550	2.4
170.41125	1.6
172.05261	1.9
175.07634	17.4
177.05666	2.3
178.06378	11.6
187.07663	13.6
189.60571	2.0
192.07875	3.6
193.08746	2.5
197.12950	19.6
205.08669	6.6
215.13995	50.8
284.78830	1.7
329.13943	100.0
341.14078	6.2
359.15060	32.7
503.19498	7.7
521.20306	30.5
650.08618	1.9
683.31763	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	683.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	39.2
66.00522	2.7
71.01385	23.1
72.99290	4.0
79.39761	2.4
85.02933	6.7
89.02431	36.2
99.00891	3.1
101.02401	11.7
113.02440	16.8
119.03487	5.4
149.04482	3.1
161.04613	2.6
171.05379	2.6
179.05563	16.4
185.76762	2.7
205.09067	2.8
219.32674	2.7
260.10043	2.6
269.11810	16.4
281.11807	15.3
311.09265	4.5
326.11624	16.6
328.89581	3.0
341.13913	11.6
344.73041	3.1
431.17163	100.0
443.17221	5.9
461.18106	40.9
500.37375	3.1
578.28650	2.8
623.23975	4.3
683.18622	3.0
683.31525	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	683.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22064	1.2
59.01376	47.2
62.39359	1.1
71.01376	37.6
73.02937	5.9
83.01375	2.7
85.02929	8.5
88.58093	1.4
89.02429	48.1
92.21970	1.3
97.02940	5.6
101.02437	27.7
111.00850	1.9
113.02439	17.4
119.03489	16.7
125.02425	19.8
131.03467	2.4
143.03482	4.8
151.07629	2.5
155.04671	1.4
159.02954	2.1
161.04521	8.2
179.05574	9.4
187.07607	3.0
221.06645	5.8
263.07834	2.7
269.11832	64.6
281.11890	17.0
310.77527	1.5
323.09851	100.0
359.15060	6.2
514.45453	1.5
623.23267	12.6
683.31201	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	683.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	39.2
66.00522	2.7
71.01385	23.1
72.99290	4.0
79.39761	2.4
85.02933	6.7
89.02431	36.2
99.00891	3.1
101.02401	11.7
113.02440	16.8
119.03487	5.4
149.04482	3.1
161.04613	2.6
171.05379	2.6
179.05563	16.4
185.76762	2.7
205.09067	2.8
219.32674	2.7
260.10043	2.6
269.11810	16.4
281.11807	15.3
311.09265	4.5
326.11624	16.6
328.89581	3.0
341.13913	11.6
344.73041	3.1
431.17163	100.0
443.17221	5.9
461.18106	40.9
500.37375	3.1
578.28650	2.8
623.23975	4.3
683.18622	3.0
683.31525	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	683.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30880	0.6
53.76553	0.5
55.12943	0.6
55.67068	0.6
59.01379	37.2
60.58287	0.5
65.29211	0.5
71.01374	29.8
73.02923	0.8
85.02949	0.9
87.00864	1.5
88.85017	0.5
89.02431	76.4
95.01366	1.3
101.01790	1.2
101.02434	26.7
113.02435	21.4
119.03484	30.8
131.03462	4.4
143.03461	3.8
149.04524	3.1
161.04498	5.9
171.86940	0.6
179.05614	13.9
281.16077	0.7
341.10898	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	683.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38348	1.5
54.38614	1.3
59.01375	39.2
71.01388	12.3
73.02939	13.1
83.01406	1.8
85.02937	6.7
87.00877	1.6
89.02433	6.8
95.01373	1.9
96.96011	3.2
99.00808	1.6
101.02413	15.9
113.02431	10.9
116.92956	1.5
125.02380	1.9
137.02380	1.8
139.00328	1.5
149.06047	3.3
151.03935	3.3
153.05586	2.9
162.03821	1.7
162.08054	1.6
164.04813	3.2
165.01920	3.0
165.05530	19.2
166.06305	24.1
181.05057	6.4
181.08702	3.2
209.04434	2.5
214.35336	1.7
217.51491	1.6
224.06885	11.6
225.07668	52.1
228.27090	1.6
237.25566	1.8
239.09261	6.6
316.63867	1.6
509.25745	12.8
639.22870	100.0
683.27454	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09703	0.4
53.42552	0.4
59.01370	2.3
59.22886	0.4
62.49060	0.4
71.01382	2.2
87.00836	1.0
89.02433	3.9
89.82957	0.5
94.46803	0.4
101.02427	2.0
113.02402	1.2
119.03522	1.6
133.02946	2.2
135.04517	23.2
161.02428	100.0
161.04578	4.6
175.53215	0.5
179.03485	49.2
179.05585	8.6
292.73459	0.6
314.32056	0.6
341.08655	83.4
517.72174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22815	0.9
58.40787	1.0
58.54163	0.8
59.01371	20.4
61.53985	1.0
73.02935	15.9
74.53809	1.1
75.57085	1.1
75.57541	1.0
77.59289	1.0
78.52535	0.9
81.91113	1.0
101.02404	1.3
108.26044	1.2
137.02365	1.0
149.06082	2.1
151.03978	2.0
165.01924	1.6
165.05536	20.4
166.06319	23.2
176.08823	1.3
181.05070	2.5
181.08737	7.6
194.05986	1.2
204.87915	1.1
208.03752	4.3
209.04573	7.6
223.06163	2.2
224.06888	53.3
224.09064	2.1
225.07678	100.0
239.09227	65.2
249.07607	1.8
260.04825	1.1
281.41025	1.1
417.82309	1.1
435.16571	63.7
639.22992	45.5
683.22314	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	682.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75632	1.7
63.32952	1.7
71.23783	1.8
71.79475	1.8
83.52116	1.7
87.00840	2.0
91.70054	1.8
107.04991	9.5
107.52768	2.1
122.58724	2.1
132.92276	2.0
133.06635	2.5
149.06061	26.9
152.32228	2.1
161.44878	1.9
165.76183	1.8
177.05566	26.8
179.03491	46.0
195.06528	2.9
213.69669	1.8
215.79359	2.1
236.14574	1.9
239.03178	3.3
239.05594	100.0
243.18837	1.9
246.86565	2.1
392.68726	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	682.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23407	1.1
72.00891	11.5
82.01048	1.3
85.12816	1.2
96.95921	1.2
134.03734	12.1
139.16872	1.2
147.04503	43.1
159.13742	1.2
164.07167	100.0
178.02734	14.5
190.38283	1.3
193.05060	95.4
267.07245	1.3
331.73880	1.5
355.10382	49.9
378.23743	1.4
517.15393	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	681.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	5.3
64.32454	3.7
96.96010	24.3
105.80901	4.4
113.14672	4.0
114.53983	4.5
133.01437	24.7
134.80867	4.0
139.11285	17.9
171.10239	25.2
183.13792	4.4
193.08408	33.4
196.32198	3.9
200.62485	3.8
205.12109	4.4
211.13429	30.4
221.11548	9.2
229.14481	22.8
231.09969	6.3
233.11594	100.0
249.11139	18.8
251.12540	18.7
306.02930	4.4
308.50131	4.1
329.23322	83.6
351.21579	38.4
492.00009	4.1
681.45752	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.3
59.01622	1.7
71.01360	1.6
84.08710	1.5
89.02426	1.9
96.96003	4.1
97.06570	24.9
109.66458	1.6
126.58428	1.7
138.25160	1.6
141.05560	9.8
179.14452	27.8
184.31372	1.6
233.68027	1.7
259.15482	100.0
454.51755	1.9
530.71179	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	681.3853
Annotation	LMPR0104350004
Peak:m/z	Relative Intensity
57.03437	3.1
59.01085	1.3
59.01376	37.6
69.59678	0.5
71.01375	11.2
73.02943	6.5
83.01379	1.5
85.02912	4.4
87.11586	0.7
89.02422	12.8
92.19980	1.9
96.95972	1.5
101.02425	14.5
101.06065	1.2
105.13178	0.8
113.02434	6.0
119.03468	5.1
130.08765	1.5
161.04642	0.7
183.10255	1.4
193.02771	0.7
209.11823	1.0
274.25833	0.7
344.54282	0.7
376.88727	0.9
433.25720	1.0
440.71069	0.7
507.26465	1.4
565.21338	0.8
621.36023	4.7
622.15790	0.7
637.29156	7.0
663.37634	8.0
681.38568	100.0
702.96106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01378	35.9
60.31945	1.1
63.38670	0.9
67.64404	1.0
68.17202	0.9
71.01372	17.3
72.99288	2.2
73.02937	4.5
73.03321	1.0
73.66823	0.9
75.00864	24.5
81.35090	1.0
83.01390	1.9
85.02934	27.8
85.53867	0.9
87.00854	8.1
89.02432	7.6
95.01370	2.6
96.95979	5.5
99.00869	10.9
101.02433	8.1
113.01667	1.6
113.02421	31.7
113.71665	1.1
115.00356	1.4
117.01875	1.7
408.68167	1.4
619.16321	1.3
637.30798	100.0
663.24597	1.2
681.27203	6.5
681.38245	1.6
698.77582	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	681.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29680	1.0
53.40314	1.3
57.03443	2.2
59.01379	30.2
71.01369	16.4
72.44269	1.2
72.99296	3.2
73.02929	6.5
75.00861	19.4
83.01367	2.4
85.02947	25.6
87.00848	5.6
89.02439	6.9
95.01357	1.8
95.30032	1.2
96.95990	2.7
99.00882	10.5
101.02455	9.4
101.06017	1.3
113.02420	31.6
115.00348	5.2
116.92867	5.3
117.01923	2.3
121.64923	1.2
130.08684	6.0
136.07654	4.9
172.09746	5.8
206.04852	1.4
209.11859	22.2
214.11459	1.3
227.12843	5.7
259.15494	14.4
340.17441	1.7
637.30737	100.0
681.25269	2.9
681.37762	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	681.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.5
61.64771	0.8
66.73489	0.8
71.01370	11.6
72.99286	3.8
73.02935	4.7
73.54073	0.8
75.00862	74.9
85.02927	2.1
87.00871	1.9
89.02422	16.1
96.95988	4.2
97.21586	1.0
101.02427	16.3
101.93565	0.9
113.02416	9.4
119.03460	4.6
131.03511	6.4
143.03482	1.0
149.09732	9.3
151.03963	1.1
151.86969	0.9
159.02953	1.5
161.04517	11.6
175.28932	1.0
179.05630	1.3
189.07683	12.1
200.40109	0.9
221.06694	7.6
341.19388	1.1
345.28891	0.9
403.68561	1.0
582.19464	0.9
621.23230	1.5
637.27161	2.2
681.29785	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	681.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62680	1.1
59.01380	8.7
66.54766	0.8
71.01417	1.0
73.67014	0.8
82.15836	0.9
93.03230	1.0
96.95964	1.4
109.02972	1.1
120.52199	0.9
123.00874	1.9
124.01643	46.0
133.79800	0.9
135.04498	2.1
138.03201	5.7
139.04004	100.0
144.12115	0.9
203.05562	1.1
241.05107	1.3
251.13997	13.2
276.13565	12.1
283.08160	2.2
293.16193	17.2
335.10983	1.0
343.10373	26.6
469.74069	1.0
542.59998	1.0
542.71967	0.9
618.46515	1.0
672.46545	1.1
687.11536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56964	2.2
56.36936	2.6
59.01368	4.4
65.73740	2.8
80.05337	2.5
91.14856	2.9
96.95974	14.2
117.63508	2.9
124.07656	67.4
164.10760	14.6
168.06628	31.6
208.09776	14.1
215.08200	7.0
225.10248	5.8
229.09795	14.9
239.11922	18.4
241.09819	35.8
247.10771	3.3
253.38783	2.9
255.11397	5.2
257.13055	3.8
269.09521	19.8
269.12625	3.7
275.13995	6.6
299.10428	3.8
301.11969	74.8
315.19748	11.7
319.12979	16.1
362.18823	26.2
406.17786	4.7
438.20181	12.4
468.21329	14.0
607.28168	3.8
630.87164	2.9
651.26666	46.0
681.27692	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	681.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06062	1.3
54.84875	1.4
59.01379	20.3
60.72267	1.1
62.80328	1.2
63.88311	1.2
67.26728	1.4
71.01373	15.0
73.02940	3.5
80.32422	1.6
85.02943	7.6
87.00866	2.4
89.02429	20.8
96.95975	2.1
97.02390	2.0
97.02921	17.1
99.04501	1.7
101.02470	12.4
113.02458	16.9
119.03501	11.5
127.23381	1.4
131.03470	3.4
134.40462	1.5
143.03503	2.0
161.04477	12.9
173.10815	96.0
179.05547	14.1
221.06609	7.3
227.15570	30.1
257.16647	6.6
263.07703	11.2
271.14523	100.0
313.15594	8.6
373.17590	2.0
403.88501	1.6
433.19724	2.8
472.09692	1.5
475.20734	14.9
522.27466	1.4
621.02368	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	681.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52081	0.4
54.32760	0.5
58.02971	5.5
58.97631	0.4
59.01373	8.3
59.25948	0.4
63.35059	0.5
63.70192	0.4
70.02972	6.5
71.01360	0.7
72.04537	1.9
74.02461	38.6
76.17174	0.5
83.64132	0.4
89.02423	1.1
96.96016	1.9
98.02470	7.7
101.02413	0.6
113.02458	1.0
116.03519	25.4
116.05016	8.1
122.84377	0.5
130.06598	0.7
135.54794	0.5
142.06616	0.9
159.09271	3.7
167.92023	0.5
178.51729	0.4
186.05569	1.2
200.18611	0.4
201.10321	6.4
203.08261	68.3
217.34077	0.5
234.04663	0.5
245.09297	100.0
265.94855	0.7
268.26471	0.6
289.08276	3.9
347.17084	2.8
414.72089	0.5
416.18997	0.5
535.03430	0.5
710.62677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11953	0.5
58.02964	3.3
59.01376	9.1
70.02969	8.0
71.01356	2.1
72.00905	0.7
72.04539	1.1
73.02928	4.0
74.02460	34.1
75.00858	0.5
78.83626	0.6
85.02947	0.6
85.69432	0.5
87.00893	0.5
89.02418	2.0
96.96006	1.0
98.02457	7.7
101.02420	3.6
113.02415	1.2
116.03519	24.3
116.05016	7.5
119.03476	0.6
130.06627	1.0
131.03470	0.8
142.06596	0.8
159.09241	2.5
161.04524	1.1
161.46950	0.6
183.09225	1.9
186.05629	0.8
198.87949	0.5
201.10307	6.9
203.08263	67.9
220.64780	0.6
245.09294	100.0
253.36548	0.5
289.08347	4.1
310.87305	0.5
347.16968	1.0
391.15991	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	681.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53320	0.4
59.01373	0.7
71.01376	1.6
85.02929	0.8
92.19958	0.5
93.13351	0.4
100.13665	0.4
101.02427	0.7
108.02183	0.5
113.02434	0.4
136.01654	14.5
137.02423	0.5
143.34346	0.5
151.03995	100.0
151.87640	0.4
161.04518	2.5
175.07648	2.0
288.59238	0.4
311.12973	0.8
322.16467	0.4
342.11084	7.3
357.13461	57.9
361.10956	0.5
411.75851	0.5
519.18689	14.9
545.44202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
71.01371	70.1
73.02943	14.5
81.51472	3.2
85.02944	18.8
89.02428	87.2
96.95995	70.8
97.02934	6.8
99.00861	6.0
101.02411	53.3
108.64949	3.3
113.02402	36.6
119.03465	25.2
124.95985	3.5
125.02437	23.0
127.73797	3.7
136.01659	8.3
143.03487	12.8
151.03996	59.0
161.04556	13.3
179.05554	15.3
181.45549	3.1
203.08249	6.3
221.06717	6.7
225.07481	3.4
245.09306	18.0
263.07681	6.6
323.09839	81.3
357.13312	7.0
506.71985	3.6
538.83148	3.6
583.19794	4.1
631.27954	3.5
637.26691	4.7
681.23950	25.5
687.31982	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	681.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
61.77171	0.8
71.01360	1.4
78.95922	1.1
96.95979	4.1
101.02403	1.3
112.18461	1.0
149.02382	2.2
152.01056	1.8
164.04759	17.7
179.07133	11.8
181.82253	1.1
189.31764	1.0
193.01326	1.1
205.30453	1.1
208.03775	57.6
223.06113	100.0
261.05505	1.5
279.09656	1.0
402.84216	1.0
433.15082	26.0
637.21277	13.3
637.30646	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	681.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17900	0.3
56.47993	0.3
57.94382	0.4
59.01382	0.6
63.04975	0.4
63.09958	0.4
69.37817	0.3
71.66910	0.3
85.03001	0.5
89.47663	0.4
96.95992	1.0
106.73093	0.4
111.22160	0.5
119.66982	0.5
121.02916	0.6
135.04509	0.7
137.02431	0.6
149.02414	10.1
151.04013	0.7
152.01117	3.7
163.04039	2.9
164.04781	30.8
169.05060	2.1
175.72250	0.5
179.07121	10.5
190.12598	0.4
193.01413	7.9
208.03760	75.5
222.05463	0.5
223.06105	100.0
273.04669	0.4
281.66724	0.4
433.14023	0.4
637.21362	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	681.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17900	0.3
56.47993	0.3
57.94382	0.4
59.01382	0.6
63.04975	0.4
63.09958	0.4
69.37817	0.3
71.66910	0.3
85.03001	0.5
89.47663	0.4
96.95992	1.0
106.73093	0.4
111.22160	0.5
119.66982	0.5
121.02916	0.6
135.04509	0.7
137.02431	0.6
149.02414	10.1
151.04013	0.7
152.01117	3.7
163.04039	2.9
164.04781	30.8
169.05060	2.1
175.72250	0.5
179.07121	10.5
190.12598	0.4
193.01413	7.9
208.03760	75.5
222.05463	0.5
223.06105	100.0
273.04669	0.4
281.66724	0.4
433.14023	0.4
637.21362	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	681.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	38.0
63.11202	1.5
69.03464	1.8
71.01364	34.7
73.02934	9.6
85.02938	10.4
87.00851	1.9
89.02439	38.4
95.01391	4.1
96.95995	11.2
97.02918	2.7
99.00869	4.0
101.02429	41.7
107.75489	1.5
108.02158	27.4
109.02934	22.8
113.02430	22.1
119.03466	11.6
125.02467	3.4
131.03479	7.2
137.88988	1.7
139.57268	1.9
140.30844	1.9
143.03503	4.3
145.05162	1.9
151.03897	2.3
159.03003	2.6
161.04568	14.7
179.05615	2.3
221.06639	2.7
245.06702	2.7
351.98026	1.8
359.08353	2.1
403.44629	1.8
545.64471	1.9
577.17578	17.1
595.19366	13.5
637.19855	100.0
637.30389	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	680.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26730	1.6
65.64827	1.5
110.60676	2.1
128.40034	1.8
156.08174	8.4
158.05916	2.2
172.07637	29.4
200.07147	24.8
202.05080	53.3
218.08211	3.6
262.07214	100.0
283.97034	1.7
295.52048	1.9
336.21213	1.8
361.91086	1.8
595.79266	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	679.3711
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
59.01383	18.8
61.98818	2.2
64.42033	2.2
71.01354	5.1
75.36735	2.4
89.02431	13.2
96.14022	2.7
96.95995	11.4
101.02419	11.0
113.02408	9.8
116.28876	2.4
116.92831	4.1
151.17099	2.7
161.04518	5.0
429.80792	3.3
437.30603	16.5
455.31705	14.3
499.30704	4.8
505.10968	2.6
517.31671	31.4
573.96729	2.8
635.36182	8.4
679.37341	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	679.3716
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
56.47227	1.7
57.10405	1.7
58.88106	2.0
59.01368	12.5
71.01372	4.5
71.05005	2.5
74.98742	2.2
75.00859	10.5
81.59848	1.9
82.65742	2.2
85.02949	2.7
89.02417	3.0
96.06004	2.5
98.34399	2.2
101.02380	2.3
113.02393	4.4
119.03496	2.6
120.81022	2.3
141.24492	2.3
167.95267	2.6
232.84538	2.0
313.17926	2.5
437.30569	10.4
455.31555	10.0
499.30621	14.0
517.31696	25.3
541.31903	3.1
563.34808	2.7
635.27942	3.0
659.32220	2.8
679.26385	4.6
679.37109	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	679.3695
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
55.99675	0.3
57.96474	0.4
59.01371	1.4
75.00859	0.7
78.95882	3.6
79.95738	1.3
89.02442	0.5
92.20004	0.6
92.75020	0.3
96.95998	100.0
96.96902	8.8
113.02451	0.4
119.03510	0.4
227.21249	0.4
266.19962	0.4
327.75882	0.4
370.34668	0.4
423.29010	0.4
437.30576	2.6
441.29709	0.4
453.29984	0.6
455.31604	2.5
471.31216	1.6
472.31595	0.5
481.29871	0.5
499.30664	3.2
517.31689	6.0
519.73694	0.4
618.40210	0.4
679.37079	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	679.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48734	0.9
59.01370	4.9
59.54572	1.0
71.30167	1.0
75.00862	1.7
78.95909	2.5
79.95741	1.3
89.02429	1.2
94.49247	1.2
96.95998	100.0
96.96918	8.1
99.45422	1.1
122.30294	1.2
173.33621	1.2
271.63016	1.0
331.92566	1.2
379.30249	1.8
437.30453	2.5
455.32022	4.4
457.32217	2.3
499.30463	1.6
517.31842	11.1
679.37042	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01377	25.5
69.03443	0.9
71.01373	13.9
72.36140	0.7
72.99298	3.6
73.02944	4.2
75.00860	20.0
83.01357	1.1
85.02939	23.9
87.00851	6.3
89.02429	4.3
95.01364	3.9
99.00871	7.9
101.02427	4.5
111.00868	0.9
113.02423	31.2
115.00332	3.4
117.01895	1.9
129.01920	1.1
134.52438	0.9
175.02402	1.0
180.64127	0.8
213.81769	0.7
352.84314	0.9
491.51187	0.9
635.29254	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	679.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13914	0.6
59.01381	8.5
71.01375	7.4
72.44006	0.5
72.82766	0.6
73.02918	0.6
77.64480	0.5
80.29063	0.5
85.02951	1.1
87.00883	1.0
88.16397	0.6
89.02426	10.4
96.96007	3.1
101.02425	7.4
104.04990	0.6
113.02428	5.1
119.03506	4.8
125.09701	7.6
135.08182	0.7
153.09210	16.3
155.10764	2.5
167.10779	2.7
169.08690	0.8
171.10255	26.2
197.08197	7.1
211.09749	0.8
213.11301	1.1
215.09235	26.3
239.09129	1.1
257.10294	5.9
294.50537	0.6
303.40405	0.8
321.75677	0.7
333.15582	2.9
359.13446	2.9
377.14539	100.0
524.76483	0.7
635.28229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22900	0.4
59.01380	0.4
69.70987	0.4
78.95900	4.1
79.95737	2.0
82.67927	0.4
85.94613	0.4
88.58159	0.4
89.02917	0.4
96.95995	100.0
96.96896	8.9
97.78744	0.4
102.92750	0.4
103.71078	0.5
133.23175	0.4
165.46512	0.5
205.53162	0.5
455.31680	0.7
517.31787	1.9
583.95178	0.5
679.37140	8.1
680.36963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80117	0.6
78.95889	6.8
79.16270	0.7
79.95715	1.1
92.80975	0.6
96.95997	100.0
96.96922	15.1
269.92700	0.8
335.13824	0.7
602.74554	0.8
616.11066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68120	0.8
56.67920	0.9
57.03434	1.9
59.01377	18.9
60.13908	0.9
71.01380	15.6
72.99286	3.9
73.02959	6.7
75.00864	22.6
77.85924	1.0
83.01383	1.0
85.02939	21.6
87.00858	7.4
87.21999	1.0
89.02438	5.8
91.86392	0.8
92.19925	2.0
96.38248	1.0
97.02878	0.9
99.00864	8.7
101.02430	8.2
102.98574	2.2
110.94698	0.9
113.02425	31.6
115.00347	1.6
117.01936	1.5
133.53105	1.2
139.65134	1.2
158.52505	1.2
161.04503	1.6
173.04654	1.5
175.02402	1.2
207.13858	1.0
219.13945	1.6
247.87621	0.9
523.40033	1.1
635.25623	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	679.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.7
59.01379	22.5
62.37883	1.7
71.01372	25.8
72.99297	2.4
73.02937	8.0
75.00858	27.1
83.01362	3.0
85.02944	25.0
87.00842	7.3
89.02453	3.5
95.01347	2.4
96.95999	3.0
99.00861	12.8
101.02422	10.5
101.15263	1.8
106.33221	2.4
113.02436	33.3
120.29433	2.2
176.04730	2.2
191.07254	2.3
207.65137	1.9
269.11807	20.6
281.11752	15.5
307.58521	2.2
390.85840	2.3
425.15955	3.0
431.17236	23.0
443.17059	7.9
528.70490	2.2
591.22961	4.5
635.28845	2.4
649.21112	4.5
661.21399	2.4
679.22443	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	679.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97007	0.7
59.01377	30.8
71.01373	3.8
73.02916	1.1
85.02924	1.1
87.00856	1.5
89.02425	5.3
90.57175	0.8
99.00864	0.8
101.02431	6.6
108.55476	0.7
113.02424	1.2
119.03504	1.8
125.06113	1.0
133.02945	0.9
135.04515	35.3
147.52113	0.7
161.02425	78.4
161.04419	9.0
169.01224	0.7
175.19046	0.8
179.03491	78.2
179.05493	4.7
208.10861	0.8
216.77116	0.8
237.82639	0.7
251.11285	6.6
252.09827	3.4
293.12381	14.8
326.09738	0.8
341.08688	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	679.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56404	0.3
59.01364	1.8
71.01382	0.9
73.02917	0.4
85.02930	0.9
89.02414	0.8
91.19911	0.4
101.02434	0.6
113.02434	0.9
119.04974	1.7
138.26385	0.4
163.03961	1.7
175.04028	0.7
225.07481	0.7
225.09387	1.6
227.07156	10.6
239.09355	0.5
253.04991	3.5
269.08203	100.0
442.12341	0.5
445.92868	0.4
457.14911	2.4
593.19263	0.7
635.19806	38.3
635.28149	2.1
651.95392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01364	0.6
77.16332	0.4
78.95901	6.6
79.95732	0.9
89.02436	0.4
89.13691	0.3
96.90294	0.4
96.95995	100.0
96.96912	12.7
100.33270	0.3
108.25124	0.4
111.70863	0.4
113.02424	0.5
114.94910	0.3
150.03224	1.5
164.04797	1.6
165.05550	5.2
179.07123	0.5
192.87564	0.4
195.06660	1.4
208.03819	3.2
223.06104	6.1
247.12315	0.4
419.13480	3.4
581.18921	6.4
635.29077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
71.01388	0.2
73.02972	0.2
74.02458	0.4
75.00862	0.3
78.95893	3.6
79.95731	1.6
85.29210	0.3
89.17850	0.2
91.09888	0.2
96.95994	100.0
96.96893	7.8
113.02419	0.6
150.03189	0.6
164.04762	1.1
165.05551	4.5
173.62596	0.2
188.98801	0.2
195.06680	1.2
203.08408	0.5
208.03728	2.9
223.06102	4.3
245.09314	0.6
339.77530	0.3
419.13553	1.3
581.18811	5.6
679.22772	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	679.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95237	0.5
59.01379	1.0
70.35655	0.6
75.98839	0.7
77.95846	0.6
79.95712	0.8
90.12753	0.6
96.96000	100.0
113.02442	0.8
123.04529	0.7
125.02458	1.1
134.62634	0.6
167.03490	4.5
179.03606	0.7
197.04576	0.8
209.04538	11.1
239.05624	10.8
269.06570	3.3
374.30441	0.6
379.97498	0.8
491.11810	1.2
581.15118	19.4
620.84943	0.7
692.36426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79224	0.5
54.59513	0.5
56.68159	0.5
57.62394	0.5
58.02963	0.5
59.01369	2.5
59.34304	0.4
71.01369	2.4
75.00843	0.5
79.48772	0.6
79.98383	0.5
85.02942	0.6
87.00885	0.7
89.02431	2.0
95.05017	2.3
96.95971	2.3
96.96898	0.7
101.02446	2.1
112.07661	18.1
113.02424	1.0
113.06063	5.2
129.10339	11.2
130.07779	0.9
130.08722	26.1
135.04521	0.7
191.60837	0.6
205.68828	0.6
207.14995	7.9
208.13484	1.0
224.17749	8.9
225.16068	32.2
242.18825	0.7
311.39951	0.6
320.23425	6.1
337.26138	8.7
338.24414	6.9
433.31647	4.3
439.57175	0.6
450.34271	4.0
451.33005	2.4
533.03247	0.6
542.20557	0.6
546.40417	1.0
563.42889	1.4
633.27393	3.8
659.48438	4.0
677.49707	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	677.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59080	3.9
55.92619	2.8
59.01378	44.3
67.09607	3.5
71.01379	17.0
85.02931	4.1
87.00833	4.0
89.02431	26.0
101.02412	31.9
112.75243	3.6
113.02415	5.9
116.92832	9.4
119.03448	7.1
125.02460	4.0
125.26496	3.6
235.08090	6.1
279.23282	100.0
290.13049	4.2
397.13556	72.6
415.14322	27.2
474.57626	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	677.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	35.1
60.78243	1.7
61.13125	1.6
68.49493	2.0
71.01376	23.6
73.02905	2.3
75.01463	1.7
83.01335	2.6
85.02947	3.7
87.00857	3.1
89.02431	30.0
92.04372	1.8
101.02438	23.4
102.72207	1.7
113.02418	11.4
125.02442	6.6
143.03539	2.4
173.29666	1.9
179.05743	2.8
186.70148	2.3
209.02969	2.1
235.08284	4.2
246.80945	2.0
279.23276	100.0
290.98175	1.7
397.13486	86.8
415.14529	23.7
646.88751	2.0
677.37531	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	677.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67180	3.7
50.88450	4.0
56.60141	4.2
56.62399	4.0
56.96771	4.1
59.01384	26.2
62.38756	3.6
75.58221	4.5
78.95898	30.2
89.02430	19.6
101.02427	5.8
110.36292	3.9
115.37978	4.9
121.41156	4.0
122.09961	4.9
129.81894	4.8
152.99577	82.5
155.06364	4.9
170.48068	4.5
185.47502	4.5
216.07027	4.9
222.99883	4.9
241.01158	24.0
277.21686	26.5
278.21942	17.9
279.23328	100.0
294.54913	4.9
398.13965	7.0
399.14023	9.1
417.14926	5.9
479.54419	4.3
595.28851	95.2
600.77307	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	677.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83990	2.4
59.01087	3.5
59.01377	79.1
62.39177	1.9
62.65102	1.9
71.01368	60.5
73.02930	16.7
75.06262	2.2
80.02630	2.3
83.01379	4.1
85.02926	10.9
87.00877	15.7
89.01890	4.4
89.02434	100.0
92.20010	2.3
99.00846	3.4
101.02429	72.9
113.02435	58.9
118.52995	2.2
119.03484	30.9
124.56274	2.2
129.01997	3.0
131.03502	27.3
143.03505	5.3
153.72447	2.2
159.02960	8.9
161.04543	40.7
179.05594	52.9
221.06683	61.0
263.07718	62.2
305.08502	2.6
573.26013	3.3
591.26135	3.7
633.27692	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45869	3.1
51.31670	2.5
59.01377	87.6
67.54380	3.2
71.01378	69.0
73.02937	17.9
83.01375	6.2
84.25026	3.1
85.02952	23.4
87.00848	18.3
87.93686	2.7
89.02422	72.6
95.01411	3.6
96.95999	6.4
97.06573	23.7
101.01799	3.9
101.02434	73.2
105.44514	3.1
107.94514	3.1
113.02430	58.2
119.03471	32.2
125.47226	3.3
131.03510	27.1
143.03481	5.7
151.07651	7.2
159.36763	3.4
161.04536	38.8
169.08659	17.1
179.05608	47.0
220.02138	3.5
221.06654	41.5
249.14951	5.7
263.07639	50.2
267.15994	44.1
306.13379	14.6
321.15674	7.8
349.38828	3.7
573.25647	6.6
591.26385	20.9
609.75153	3.4
633.27576	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	677.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38632	1.4
55.40637	1.7
57.03427	1.8
59.01379	76.7
60.31512	1.5
63.45519	1.8
71.01376	51.7
71.82742	1.7
73.02939	14.9
75.00857	2.0
83.01379	8.6
85.02949	18.0
87.00856	10.3
89.02436	59.8
95.01364	1.7
96.95975	2.7
97.02953	3.3
98.29195	1.7
99.00803	2.5
101.02428	57.9
101.29067	1.8
104.42145	1.8
113.02439	48.6
119.03475	21.9
131.03474	18.8
143.03482	10.3
159.02960	3.6
161.04550	31.2
179.05569	12.4
203.05588	2.0
221.06673	24.7
248.16566	1.8
263.07681	6.9
429.21371	2.1
463.70953	1.9
471.22583	6.9
573.25507	24.2
591.26685	28.4
633.27795	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	677.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93005	0.5
53.24932	0.6
57.03447	1.6
59.01373	21.1
69.94318	0.6
70.90824	0.6
71.01372	21.0
71.20131	0.6
72.99292	3.5
73.02930	5.3
73.99263	0.6
75.00862	15.9
81.82280	0.6
83.01392	1.4
85.02935	25.6
87.00861	8.7
87.95792	0.7
89.02429	4.6
95.01365	4.4
97.02901	0.8
99.00868	8.8
101.02431	9.2
103.00340	1.1
111.00836	0.7
111.73960	0.7
113.02433	26.8
115.00349	3.2
117.01917	2.7
125.02437	1.0
129.01900	1.0
153.03717	0.7
157.01437	0.8
217.87111	0.6
253.18059	4.8
312.59924	0.7
363.71191	0.7
397.22144	4.9
415.23438	15.1
457.24384	5.8
529.28046	0.8
633.27637	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	677.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38618	0.7
57.03444	3.8
59.01375	24.0
59.10806	0.7
62.38327	0.8
67.90058	0.7
68.12138	0.7
71.00964	1.2
71.01357	13.9
72.99300	3.7
73.02950	3.3
75.00857	19.1
75.50625	0.9
82.32600	1.1
83.01354	1.3
85.02940	24.0
87.00867	7.8
89.02429	5.0
89.85955	0.9
94.61471	0.9
95.01367	3.5
97.02941	1.3
99.00867	10.9
101.02422	6.6
103.00277	1.0
113.02438	26.7
115.00346	4.1
117.01944	1.2
119.21790	0.9
129.01935	3.9
148.93958	0.7
152.04729	0.8
175.02560	1.6
224.09543	1.0
235.17020	1.2
237.18608	18.2
242.72337	0.9
253.18077	10.4
397.22379	1.3
415.23438	14.0
457.24545	5.0
633.27704	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	676.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	95.9
68.91566	3.8
71.01365	55.1
73.02940	19.5
82.04099	19.1
83.01384	6.8
85.02944	25.1
89.02424	59.7
101.02423	51.9
103.93321	3.4
113.02438	37.8
119.03482	19.1
128.40044	3.4
131.03445	6.2
141.09183	31.2
142.09500	6.0
157.28026	3.6
161.04529	20.5
179.05664	5.9
179.28072	4.0
195.12549	4.8
198.89273	3.3
221.06619	16.0
234.14209	3.6
337.22253	32.2
338.22803	36.0
386.25104	3.6
421.67596	3.9
439.32275	15.6
483.31061	6.4
646.28442	18.3
655.28986	100.0
676.29889	54.7
676.79584	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	677.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74723	1.3
53.73898	1.2
56.43247	1.2
59.01377	100.0
71.01368	27.0
73.02934	8.9
77.84148	1.5
85.02929	9.0
87.00832	1.4
89.02422	9.7
99.00872	2.4
101.02435	31.2
104.95003	1.5
113.02428	16.3
119.03427	1.5
119.05005	40.7
121.94356	1.5
125.02576	1.6
159.03030	3.1
161.04547	32.1
163.04012	19.7
169.75435	1.6
247.11823	2.5
265.12939	38.9
307.13992	82.0
325.09335	13.0
335.01959	7.3
351.16266	2.2
452.05438	1.5
550.28949	1.9
599.25043	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	675.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11875	16.1
53.78987	12.7
55.35181	15.8
56.73597	12.0
57.25783	13.8
59.01371	20.9
71.01398	25.1
78.81194	13.7
89.02426	26.4
99.06225	15.2
101.02435	35.6
107.79874	16.4
113.02516	16.4
212.99284	14.8
213.82213	18.0
262.61365	21.8
277.21686	65.8
351.96817	14.3
368.58688	18.3
397.13480	100.0
415.14703	18.2
532.12231	17.4
535.49158	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	676.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	2.2
59.01387	0.6
61.98822	4.9
63.08106	0.5
64.62337	0.4
68.49612	0.4
70.02968	2.8
70.49323	0.4
72.64672	0.5
74.02460	14.1
85.02919	0.7
89.02451	0.5
98.02468	1.1
108.02169	1.3
110.79847	0.5
116.03542	8.3
116.05051	3.2
121.02943	1.8
122.02485	1.1
138.01962	100.0
151.02722	5.3
152.03552	1.2
159.09229	0.7
160.04005	0.7
180.03006	3.2
201.10309	2.5
203.08276	25.5
205.91162	0.5
222.04185	0.9
223.04457	2.1
245.09300	36.1
246.09685	0.7
271.09210	0.6
289.08289	1.2
632.25494	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	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07201	1.4
59.01376	47.1
71.01366	28.7
73.02915	3.5
83.01376	2.6
85.02943	6.7
87.00847	7.9
89.02428	34.2
90.59499	1.3
95.01397	1.9
97.02937	7.3
99.00880	1.4
101.02436	28.5
113.02425	16.9
119.03460	6.8
125.02420	10.1
161.04532	3.5
213.81229	1.6
235.08200	9.6
253.09225	1.9
277.21704	89.2
305.08765	3.2
313.27328	1.5
378.17343	1.6
397.13489	100.0
397.18735	3.3
415.14560	36.3
675.36011	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	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45737	1.1
59.01375	45.1
71.01370	24.8
73.02941	3.3
83.01369	3.0
85.02938	2.7
85.64636	1.5
87.00880	2.7
89.02430	37.1
97.02925	2.5
101.02418	27.5
106.64693	1.4
111.04471	1.9
113.02393	13.0
119.03457	8.2
125.02412	7.5
131.03543	1.4
133.05083	1.3
143.03445	1.9
161.04489	6.8
179.05498	1.5
221.06532	2.2
235.08182	9.3
253.09177	2.0
269.12482	1.6
271.33597	1.4
277.21716	95.3
305.08768	1.7
397.13498	100.0
415.14624	38.7
641.52545	1.9
675.35803	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	675.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04971	0.7
59.01374	30.0
63.68653	0.8
71.01373	27.4
73.02940	9.3
73.21346	0.7
75.00861	2.0
83.01376	4.5
85.02934	12.9
87.00855	2.0
89.01889	1.3
89.02425	27.0
92.19254	1.5
95.01387	1.1
97.02946	1.4
97.52169	0.8
99.00885	2.0
101.01790	1.4
101.02431	34.4
110.59523	0.9
112.01609	1.0
113.02431	26.3
119.03476	11.7
129.01932	1.0
131.03471	8.5
143.03502	1.9
159.02959	4.7
161.04544	13.4
175.72369	0.9
179.05577	4.4
221.06647	14.4
221.15404	1.7
251.64203	0.9
340.13745	1.1
597.11554	0.9
631.26239	4.5
675.32373	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	675.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68188	1.0
57.03453	1.6
59.01376	26.3
67.56246	1.2
71.01373	27.4
72.99299	1.4
73.02922	8.7
73.40160	1.0
75.00854	23.0
83.01410	1.7
85.02943	29.2
87.00858	5.5
88.80161	1.2
89.02428	7.4
95.01385	3.0
95.37642	1.1
99.00875	10.0
101.02414	16.1
102.02924	1.3
106.10979	1.2
113.02424	47.1
115.00338	2.1
119.03454	1.4
129.01875	2.6
161.04529	2.1
175.02444	1.8
208.41988	1.3
209.22334	1.3
331.29785	1.2
335.32529	1.2
375.82788	1.2
404.72610	1.6
631.25952	16.2
675.32361	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	675.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62743	1.3
55.01874	2.0
57.03442	1.8
59.00475	1.3
59.01377	49.4
71.01372	31.2
73.02929	11.2
75.00826	1.8
83.01387	5.4
85.02942	17.6
87.00813	1.3
89.02443	17.3
92.20038	1.6
93.01942	1.2
95.01367	6.0
97.33871	1.4
99.00924	3.1
101.02431	35.3
113.02424	24.7
119.03497	3.0
131.03484	1.8
143.03545	1.6
161.04486	6.6
292.03970	1.5
312.74728	1.4
511.14874	2.2
527.24725	1.8
569.25183	1.7
587.26807	6.1
631.26123	100.0
675.32092	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	675.251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39835	1.8
59.01376	48.4
61.98829	3.7
65.68163	1.9
71.01380	54.7
71.10947	2.2
73.02936	9.6
77.82524	2.0
80.55927	2.0
80.57872	2.6
81.03384	2.4
83.05057	1.9
85.02934	12.0
87.00865	8.8
87.56198	2.0
89.02429	72.7
89.80530	2.1
92.19917	4.7
96.95992	12.0
101.02430	47.2
113.02427	44.5
119.03471	26.0
131.03474	16.9
143.03462	4.5
149.04453	2.1
159.02986	3.3
161.04543	35.5
173.13377	3.1
179.05602	36.0
221.06665	32.4
221.15446	8.3
239.16605	14.9
245.15459	2.5
247.13394	2.3
263.07727	37.1
265.14450	100.0
279.15909	10.4
289.14401	23.2
307.15567	4.8
319.15573	3.5
333.20645	9.0
337.16385	2.4
351.21927	2.5
383.11850	3.7
427.19876	3.9
469.20758	11.6
511.22260	2.6
631.25952	13.8
675.32465	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50172	1.3
57.03441	1.9
57.23581	1.2
59.01379	31.9
61.50890	1.4
61.98825	8.6
66.66983	1.2
69.03408	1.5
71.01379	25.2
72.99277	2.6
73.02927	9.8
73.60017	1.4
75.00855	29.5
83.01373	2.4
85.02935	24.3
87.00864	9.4
89.02436	18.5
95.01353	2.4
99.00887	9.9
101.02429	16.2
113.02437	41.3
115.00338	1.7
119.03480	3.4
131.03455	6.3
159.39063	1.4
161.04517	7.1
173.04506	3.5
179.05563	1.8
210.08153	1.6
218.21255	1.3
221.06602	2.4
229.12376	2.3
250.69443	1.6
251.16423	2.3
263.07645	1.8
392.99689	1.6
433.42346	1.6
457.43402	1.9
605.20258	2.0
613.24860	6.4
631.26184	100.0
698.76080	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	675.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26312	1.5
51.95216	1.4
59.01384	48.3
71.01375	35.4
73.02939	11.2
77.83900	1.7
83.01387	8.8
84.44860	1.6
85.02934	20.4
87.00860	2.4
89.02441	23.1
97.02936	2.1
99.00852	2.7
101.02434	36.5
113.02456	25.3
119.03484	9.4
121.22889	1.7
131.03456	2.8
143.03508	2.0
161.04541	10.5
191.00914	1.7
265.14438	7.2
287.82986	1.8
360.35159	1.9
574.71631	1.9
587.27643	6.1
631.26117	100.0
675.32520	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	675.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
59.01374	33.2
67.16617	1.2
67.35226	1.3
71.01368	22.7
72.99300	5.3
73.02931	7.0
73.81597	1.1
73.95103	1.1
75.00854	22.2
85.02937	20.3
87.00854	8.8
89.02426	11.4
95.01373	2.3
99.00848	8.8
101.02457	10.9
113.02426	32.6
115.00317	1.3
115.02048	1.3
131.03473	1.9
143.03455	1.7
239.73027	1.2
288.29865	1.2
364.89221	1.2
491.44159	1.3
518.31238	1.4
615.06891	1.5
631.26080	100.0
675.30719	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	675.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	44.6
71.01373	35.9
72.99293	4.5
73.02947	8.5
75.00859	13.6
81.26413	3.2
85.02948	15.5
87.00858	4.6
89.02422	37.5
96.96037	4.0
99.00842	4.6
101.02423	37.8
102.64172	3.9
113.02442	35.4
119.03457	5.9
131.03455	7.5
138.06908	4.1
139.07661	15.8
151.07564	4.2
161.04530	23.2
168.07901	41.5
179.05591	15.7
217.12308	19.3
221.06635	18.1
235.13391	4.8
247.13339	8.3
249.29205	4.2
263.07715	7.2
271.30478	4.3
419.51065	3.9
463.18231	5.4
571.23883	5.7
601.25244	29.8
631.26135	100.0
657.92883	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	675.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15008	1.0
56.09083	0.9
57.03437	1.8
59.01377	25.1
67.99735	0.9
71.01373	19.0
72.99316	4.0
73.02937	5.2
74.34315	0.8
75.00463	1.8
75.00859	19.2
83.01400	1.7
85.02939	22.9
87.00870	6.8
89.02450	1.8
95.01355	2.4
96.95971	1.9
97.02944	1.5
99.00852	9.4
101.02427	6.4
111.00820	1.4
111.17335	1.2
112.01599	1.2
113.02435	32.8
115.00330	1.5
117.01959	1.0
129.01945	1.4
137.25381	1.1
144.30492	1.1
172.54424	1.0
204.96799	1.0
235.17021	5.6
251.16470	4.8
253.09851	1.1
326.79224	1.0
395.20728	1.0
413.21884	2.1
427.45053	1.1
455.22745	5.6
458.77234	1.2
631.26074	100.0
675.32166	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	674.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55640	0.4
59.01365	0.8
60.31022	0.3
62.09065	0.4
71.01376	2.0
72.54764	0.4
78.06620	0.4
78.47848	0.4
82.04108	4.7
88.75790	0.4
107.41530	0.4
119.24377	0.4
119.52748	0.4
141.09212	51.9
182.11792	0.6
216.12517	0.8
224.14047	100.0
225.14508	0.4
252.07498	0.5
269.08325	0.7
270.08563	0.5
295.06189	2.7
296.06439	3.0
449.28906	5.8
638.18506	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	674.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	11.2
59.74837	1.4
65.40421	1.5
71.01364	2.7
75.00832	2.5
85.02946	3.6
87.00836	9.4
89.02409	3.1
92.19316	3.6
113.02419	3.5
129.55550	1.6
130.06628	1.7
132.42290	1.6
147.55038	2.1
156.08270	2.0
180.08186	1.6
208.11354	2.0
209.08409	3.3
220.43669	1.6
234.24112	1.9
234.73048	1.6
242.13774	1.8
288.17474	7.1
314.19135	28.9
332.20157	11.2
340.20612	2.0
344.20145	2.0
360.19727	4.1
362.21262	53.4
388.22626	8.0
390.20621	7.6
404.22238	7.8
432.21680	10.0
434.19275	7.7
494.21875	14.5
496.85251	2.4
609.86322	1.9
631.44617	1.8
674.28058	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	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23788	0.2
56.15369	0.3
59.01394	2.2
59.01632	0.3
66.29473	0.3
70.07932	0.3
71.01371	1.4
80.02679	0.3
83.04582	0.4
83.05003	3.2
85.02986	0.4
87.00809	0.4
89.02425	1.6
101.02435	2.2
103.50592	0.3
106.41058	0.3
113.02422	0.4
119.03440	0.5
134.77757	0.3
161.04504	0.5
163.11269	2.6
165.12801	2.3
171.10249	1.5
191.10774	1.2
209.11827	100.0
223.13353	0.3
227.12880	9.0
235.08200	1.1
247.13336	0.5
253.09308	3.1
308.80911	0.3
440.91953	0.3
445.20828	3.4
614.84009	0.3
637.32452	1.5
655.33173	0.5
673.34442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.3
71.01374	33.0
73.02925	8.6
83.01381	3.1
85.02946	13.9
85.49379	1.7
89.02425	29.5
99.00859	2.8
101.02432	39.5
113.02433	30.3
119.03491	4.5
119.12165	1.6
122.33758	1.9
125.02392	2.1
133.25217	2.0
143.03452	2.0
159.02994	2.5
161.04538	16.1
207.46370	1.6
209.11821	18.9
227.12863	3.3
319.21207	7.6
451.25430	3.2
613.30804	100.0
673.30243	8.7
673.41095	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	673.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13766	0.9
59.01382	8.2
70.74551	1.1
71.01371	1.0
73.39368	1.1
75.00863	2.0
82.02962	4.9
84.17326	1.0
85.02933	2.2
87.00870	4.1
96.95994	1.3
113.02422	5.7
122.03745	10.0
127.05161	1.6
134.03668	1.9
136.07637	2.5
137.09694	6.8
149.06046	2.4
150.03206	2.6
165.05557	8.4
175.05020	1.5
177.01886	1.2
181.09712	1.7
189.12848	100.0
191.14391	2.4
195.01079	1.0
195.06641	1.8
216.66919	1.0
233.09126	1.2
234.09996	1.8
244.09796	1.5
249.12405	5.8
249.14891	1.8
262.09598	2.3
277.11942	8.2
335.22311	4.4
511.16098	1.7
511.24438	1.5
625.23041	7.0
629.24115	8.2
673.29883	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	46.8
71.01376	35.7
72.99339	2.4
73.02930	28.8
83.01392	2.0
85.02956	17.6
87.00848	4.2
89.02438	27.9
96.95962	2.4
97.02943	3.2
99.00867	4.6
101.02427	43.2
111.00854	2.6
113.02435	30.6
119.03466	9.0
121.10201	5.6
125.02426	10.3
143.03467	3.6
161.04541	9.6
188.24622	2.1
193.14471	2.1
221.06711	5.4
239.98759	2.3
387.16647	55.4
403.66977	2.3
451.21906	2.8
495.39413	2.4
613.27191	100.0
629.24390	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	673.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.9
59.20992	1.3
61.98801	1.5
63.15805	1.4
65.85098	1.5
69.03457	1.7
71.01376	36.4
72.32826	1.3
73.02939	9.3
75.00845	1.5
80.96504	9.2
83.01382	3.1
84.04552	2.0
85.02944	15.1
87.00880	1.5
87.83832	1.5
89.02435	25.5
92.80194	1.4
95.01389	1.7
96.96011	2.9
97.02946	3.1
99.00850	6.4
101.02431	38.0
111.00878	2.6
113.02438	19.6
119.03477	10.8
125.02406	6.4
131.03488	2.3
143.03497	2.7
148.95512	1.4
161.04509	11.8
164.98616	2.3
166.38730	1.4
179.05640	2.4
221.06711	2.9
225.00714	9.1
232.09702	1.8
249.14867	1.7
250.10895	2.5
292.12054	6.3
451.21744	2.0
488.43826	1.5
613.27142	100.0
638.09027	1.6
673.31299	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	85.7
59.01943	2.5
70.00905	3.3
71.01376	72.2
73.02935	30.7
74.02460	2.7
83.01365	6.8
85.02938	33.7
87.00852	4.5
89.02427	74.5
89.89909	2.6
95.01358	4.4
97.02929	5.0
99.00874	5.4
101.02428	100.0
113.02440	49.5
119.03490	22.9
125.02418	19.2
131.03450	18.6
143.03477	11.6
155.03421	3.8
161.04549	35.2
179.05530	19.6
221.06677	17.3
246.57068	2.8
263.07584	4.5
263.14813	4.9
290.43127	2.9
305.08914	3.5
423.20224	2.9
513.83142	3.4
543.24292	6.9
569.24603	67.7
585.25732	46.7
587.25616	55.5
629.26392	58.6
673.30908	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	673.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47869	1.0
54.96396	1.0
57.81433	1.3
59.01377	24.6
59.95683	1.1
61.98826	41.7
64.82896	1.3
64.83643	1.2
67.52573	1.2
71.01385	1.2
75.00834	1.3
81.68811	1.3
85.02927	3.1
109.22820	1.4
113.02402	3.0
116.92887	1.6
149.02361	1.8
150.03209	42.7
164.04703	1.5
165.05547	100.0
180.04260	6.3
188.04773	1.4
195.06625	23.1
233.41672	1.3
249.14992	5.5
324.06558	1.4
339.08585	7.6
369.13293	5.0
565.20514	11.6
625.22943	45.3
629.24536	9.8
671.45459	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	673.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76662	1.7
59.01378	38.9
64.49960	1.6
75.00871	2.7
85.02950	6.8
85.57218	2.2
87.00845	4.1
113.02418	2.6
116.92857	11.7
148.03952	2.6
149.02425	11.4
150.03212	44.4
150.05577	2.7
151.04053	2.0
161.04800	9.7
164.04774	10.4
165.05550	96.1
175.05104	13.6
176.05782	2.0
180.04282	8.2
195.06644	17.7
201.05577	3.3
203.04643	4.1
233.09392	7.9
240.25542	2.2
244.09816	18.2
281.64038	1.9
287.10611	2.4
323.09195	3.4
339.08704	12.2
354.11218	2.7
369.13342	8.3
459.14542	7.1
468.17529	10.1
475.75247	1.9
487.13809	14.7
517.18353	14.8
565.20868	26.9
625.22931	100.0
629.24475	11.3
635.27222	14.2
637.28290	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	673.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	26.1
59.45121	1.6
68.75607	1.6
71.01373	29.2
73.02935	3.6
75.66462	1.8
83.01408	2.1
84.12522	1.8
85.02956	7.0
87.00859	2.8
89.02425	35.3
92.19375	2.3
95.01428	2.1
101.02435	30.5
113.02454	22.4
114.82550	1.8
115.67977	1.8
119.03498	9.9
131.03499	11.4
159.11810	3.0
161.04518	12.3
179.05632	14.7
183.11774	2.8
186.10533	8.2
201.12859	100.0
221.06699	21.0
245.09279	2.9
259.80292	1.8
263.07739	16.6
268.03738	7.6
287.20145	10.9
293.01044	2.1
443.45599	2.3
511.11594	14.2
629.24701	21.0
673.30664	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46783	2.3
54.12319	2.4
59.01376	68.6
61.38642	2.6
71.01370	56.8
72.65768	2.6
72.99298	3.3
73.02927	20.7
75.00879	3.9
83.01369	11.5
85.02952	21.2
87.00859	5.8
89.02422	46.6
93.68554	3.1
96.95956	3.2
97.39996	3.0
99.00879	3.5
101.02428	57.3
113.02421	42.3
113.79276	2.8
119.03471	19.3
125.02438	3.6
131.03499	26.8
159.02998	4.6
161.04532	38.6
179.05586	13.8
221.06671	28.1
261.74365	3.2
295.06036	4.3
423.20383	5.3
453.08487	3.7
533.69080	3.4
543.24493	11.2
585.25476	100.0
629.24731	39.0
637.18024	4.7
673.39044	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	673.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	53.0
62.04962	3.1
67.07578	3.0
69.76244	2.9
70.76455	2.8
71.01374	45.9
73.02936	16.0
75.70504	2.4
76.15097	2.9
77.04222	2.6
80.96503	11.7
83.01367	4.0
84.04536	30.6
85.02937	26.7
87.00873	7.4
89.02428	49.7
94.98084	4.1
99.00847	4.6
100.04034	20.0
101.02424	51.3
105.91423	2.9
109.46252	2.9
113.02415	31.4
119.03490	15.4
128.03514	19.5
131.03494	21.3
137.76512	3.2
139.65224	3.2
143.03429	5.6
152.98558	4.7
161.04530	26.8
164.98619	7.2
179.05585	13.6
204.10304	5.0
219.13861	3.3
221.06718	22.2
225.00761	17.9
232.09760	59.1
240.76721	3.4
250.10803	49.6
263.07529	6.6
292.11920	62.4
422.25110	3.5
526.82416	4.0
543.24408	4.8
585.25525	100.0
629.25006	9.8
673.31268	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82248	0.6
56.13616	0.5
59.01380	4.5
80.16600	0.6
81.85177	0.7
85.28333	0.6
96.96021	0.7
100.86495	0.7
108.02140	0.9
109.02909	0.6
109.06548	0.8
119.05010	1.4
121.02921	2.7
123.04521	1.4
135.04530	1.4
137.06064	18.9
151.47589	0.6
152.01137	3.2
161.02460	0.7
163.03975	1.1
167.03503	6.7
168.18974	0.7
181.05055	100.0
186.39136	0.6
192.22882	0.6
211.05312	0.7
232.94791	0.7
276.06332	0.7
315.80444	0.8
329.08664	1.5
343.10336	43.3
380.47638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41538	0.3
59.05605	0.3
59.97940	0.4
61.98828	100.0
65.37151	0.4
71.63637	0.3
92.19414	0.4
101.02435	0.5
103.17338	0.4
117.40945	0.3
136.24165	0.4
145.88795	0.4
152.42949	0.4
171.75447	0.3
191.13957	0.3
206.08308	0.5
244.91612	0.4
252.76552	0.4
286.16550	0.4
292.76498	0.5
410.58875	0.5
628.29260	0.6
672.26587	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	672.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24821	0.8
55.37688	0.8
56.94326	0.7
60.09037	0.9
61.98828	100.0
62.05045	0.9
69.68218	0.7
70.62876	0.7
81.48819	0.8
96.95997	1.0
132.05965	0.9
318.10614	1.2
332.19040	1.0
639.37811	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42512	1.1
61.35024	0.9
63.05945	1.2
69.05275	0.9
69.43416	1.0
75.17103	1.1
81.41578	0.9
85.53890	1.0
91.84156	0.9
98.62967	1.0
103.47921	1.0
116.90193	1.0
185.11792	8.0
261.15747	1.2
267.19656	8.2
283.19067	2.4
285.20715	100.0
525.69049	1.1
671.31720	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	671.2682
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
51.58082	5.1
53.16010	5.7
68.27444	6.0
107.61832	6.6
260.80722	7.2
318.20364	6.6
472.47818	6.9
571.62775	7.2
671.26489	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	671.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38070	2.4
54.47100	1.9
59.01380	27.9
67.04758	2.4
68.99464	2.4
71.01357	22.6
73.02943	10.7
83.01367	2.9
83.85238	2.3
85.02928	5.6
86.76054	2.6
89.02438	35.5
95.01345	2.8
96.44088	2.1
99.00840	3.2
99.05293	2.8
101.02441	26.4
101.22781	2.3
113.02422	20.9
114.22968	2.6
119.03458	16.0
131.03508	8.5
160.66750	2.4
161.04517	12.7
179.05580	5.8
209.48834	2.4
221.06647	12.5
285.18542	14.8
329.17474	3.9
387.28925	2.7
589.26367	3.5
671.29297	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	671.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13390	2.5
59.01380	78.6
59.06288	2.4
71.01369	86.3
73.02943	31.1
83.01373	5.2
85.02943	28.0
87.00866	12.6
89.02430	65.9
92.19991	3.2
93.03431	12.9
94.64198	2.9
97.02943	13.7
97.66723	2.8
99.00839	12.5
101.02429	86.2
107.53337	2.9
111.00851	6.8
113.02438	57.0
119.03492	23.5
121.77064	3.5
125.02417	23.9
131.03459	4.9
133.01411	4.7
137.02455	32.4
141.01866	4.6
143.03471	14.3
148.13461	3.2
152.48866	2.8
161.04578	26.5
179.03496	5.1
179.05620	3.9
185.04703	3.2
187.06863	3.0
221.06590	7.4
239.05441	3.9
245.06419	4.0
261.13406	12.0
272.17410	3.8
305.20798	3.1
310.02722	3.9
323.09924	7.1
339.39063	2.9
423.18396	4.8
509.16553	7.1
567.22955	100.0
585.24060	77.9
627.25043	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93905	0.5
59.01371	3.8
59.82418	0.6
71.01370	3.3
85.02944	1.3
85.37451	0.7
89.02425	1.3
93.03423	1.0
101.02427	3.3
108.02158	13.9
113.02425	2.9
123.04501	16.3
152.01146	56.3
161.04512	1.0
167.03490	100.0
179.07063	2.3
195.06519	1.0
206.07938	0.7
225.07661	0.8
235.22508	0.7
263.07852	0.8
503.17413	1.2
530.51208	0.8
627.28491	1.4
671.21960	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94378	0.8
59.01363	1.5
60.40761	0.7
60.43178	0.9
71.01352	1.1
89.02425	1.2
96.95995	7.9
108.02161	11.8
123.04498	16.5
135.04465	1.4
137.06064	1.5
152.01138	22.4
161.02402	1.2
167.03479	100.0
181.05026	9.7
182.05399	1.6
249.12431	1.3
250.62578	1.1
284.33823	0.9
329.08752	25.5
341.10867	6.4
343.10193	3.5
344.10526	1.7
475.08545	0.9
671.20459	4.2
691.58112	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	671.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.7
66.32899	0.5
71.01376	1.9
76.50202	0.4
79.21956	0.4
83.87231	0.5
89.02447	3.8
89.44178	0.5
92.19949	0.7
101.02415	1.0
107.24019	0.5
108.02157	9.9
113.02395	1.0
119.03509	0.8
123.04497	15.5
152.01137	19.6
167.03476	100.0
329.08771	25.5
341.10855	9.7
363.74646	0.6
436.77594	0.5
439.99277	0.5
510.43842	0.5
671.20947	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	671.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81746	0.4
51.97654	0.4
52.06449	0.4
59.01374	2.8
63.19768	0.4
65.86164	0.5
66.17763	0.4
69.59548	0.4
71.01360	2.1
85.02965	0.6
89.02442	4.2
101.02444	1.9
108.02162	10.9
113.02454	1.1
123.04511	15.1
152.01155	19.2
167.03487	100.0
329.08792	26.6
341.10913	11.9
659.80658	0.6
671.20435	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	671.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28329	0.7
62.14159	0.8
70.09496	0.9
86.34260	0.8
98.66271	0.9
106.19594	0.8
117.25035	0.8
120.99641	100.0
133.40858	0.9
154.30447	0.9
177.92445	0.9
223.53941	0.9
434.61868	1.1
671.30029	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	671.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
65.38778	0.4
67.03842	0.4
71.01374	0.7
76.43537	0.4
87.60370	0.5
89.02440	0.9
89.97900	0.4
95.52515	0.4
101.02411	0.6
107.13078	0.4
108.02156	10.3
123.04503	16.8
152.01132	17.9
152.02316	0.8
167.03479	100.0
329.08792	30.0
341.10971	2.3
549.79846	0.5
652.86603	0.5
671.20538	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	670.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03934	0.8
54.05338	1.0
55.05919	0.8
56.26506	0.8
59.01386	1.1
59.42623	1.0
67.75250	1.0
81.62366	0.9
88.99501	0.9
96.96003	1.2
119.04998	1.2
121.02988	1.1
135.04498	2.2
137.06058	10.3
163.03989	1.1
164.07016	1.2
181.05060	100.0
223.97301	0.9
290.63953	1.0
343.10364	29.7
505.15710	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	669.335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.0
60.01995	1.5
61.10942	1.5
63.96834	1.4
64.13793	1.5
68.76073	1.6
71.01369	13.4
73.02924	7.2
73.49719	1.7
74.85534	1.5
77.04175	1.6
83.01400	1.9
85.02930	8.4
88.28239	1.9
88.35894	1.6
89.02424	9.2
92.04635	1.8
99.44505	1.8
101.02422	14.2
113.02451	9.9
117.80600	1.6
119.03469	2.7
131.69621	1.7
161.04538	6.8
253.82979	2.1
279.08551	1.9
327.21710	2.1
345.17291	1.8
345.22815	9.8
451.33655	2.2
507.28134	18.4
625.27277	2.8
669.33557	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	669.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
59.01379	51.5
71.01363	42.0
73.02902	6.3
75.00859	6.2
77.11292	3.5
85.02932	22.7
85.10317	4.3
85.52810	3.9
89.02444	30.1
92.23547	4.3
101.02446	41.1
113.02433	23.3
116.92804	4.2
119.03515	5.3
140.48398	4.2
161.04494	19.6
198.38495	4.4
269.18948	6.0
272.37711	4.0
331.19238	9.4
553.26666	4.3
609.27850	100.0
625.69244	4.2
658.83563	4.8
669.27679	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.0
59.82021	0.8
69.12946	0.9
69.98579	1.1
70.78042	1.0
71.01375	9.0
73.02943	1.8
75.36575	0.9
79.30914	0.9
79.58985	0.9
82.78564	1.1
85.02925	1.5
87.00872	8.5
89.02447	8.3
96.23098	0.9
101.02429	16.8
106.54844	1.0
113.02441	6.3
117.53738	1.0
119.03487	1.7
125.02444	1.4
131.03545	1.0
136.55524	1.3
139.59468	1.0
142.90845	1.0
143.03455	1.5
161.04506	2.1
163.03572	1.1
179.38974	1.0
184.28697	1.2
219.37845	1.1
241.04991	1.3
256.07455	4.8
271.09857	1.7
285.16089	100.0
296.06891	5.7
297.04053	6.4
300.06448	5.5
312.06442	18.1
315.08817	16.8
323.09824	22.7
327.08688	14.5
345.09781	1.8
367.99261	1.1
385.79654	1.2
609.26703	26.0
669.19391	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	669.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70454	0.6
59.01374	6.9
67.07921	0.6
71.01357	3.0
73.02940	1.0
85.02950	2.5
87.00858	10.1
87.77335	0.7
89.02421	5.0
89.41693	0.6
99.82398	0.6
101.02422	12.0
112.43759	0.6
113.02422	3.5
119.03444	1.6
119.42395	0.7
124.52604	0.7
143.03410	1.4
143.32237	0.6
200.14474	0.8
213.13878	1.2
285.16074	100.0
323.09839	18.9
349.73666	0.6
382.73651	0.8
609.26599	24.7
669.27643	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	669.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96773	0.7
59.01377	7.6
70.79839	0.8
71.01357	4.6
71.08468	0.7
73.02892	1.6
85.02914	1.8
89.51494	1.1
94.20618	0.9
101.02374	4.2
113.02409	3.6
124.07661	0.9
130.08760	0.9
154.08743	7.8
164.10699	4.6
166.12320	1.2
177.06676	4.8
180.06638	1.8
188.07175	22.4
189.06645	4.3
198.07649	1.2
203.08260	20.8
204.09033	16.1
208.09729	3.8
210.11275	3.9
215.04619	1.5
216.10213	1.5
227.08224	1.2
229.06165	79.5
229.13474	1.2
230.06915	20.1
231.05452	1.5
231.07722	36.4
232.06055	1.9
241.09825	1.8
247.07237	44.6
248.08041	14.7
249.08853	8.5
255.11238	4.2
356.12497	1.5
358.14059	1.0
428.14664	14.4
429.15179	5.6
430.16165	11.5
447.25626	1.0
470.19174	2.1
488.19708	1.2
558.21814	1.1
625.29596	1.6
639.28827	2.0
669.27576	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	669.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98982	0.9
57.91004	0.9
59.01379	37.3
71.01373	35.2
71.39373	1.0
73.02924	8.0
85.02937	5.4
87.00860	6.5
89.01894	2.3
89.02430	55.1
97.02930	1.7
99.00891	1.7
101.02428	36.2
110.20321	1.2
113.02433	24.8
115.44540	1.1
119.03487	22.5
121.10180	2.1
125.02412	5.4
131.03500	17.0
143.03494	4.8
159.03116	1.4
161.04567	18.6
179.05641	11.7
221.06689	24.4
235.30183	1.1
245.06805	1.5
287.76074	1.1
339.54019	1.2
637.96503	1.1
669.26190	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	669.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38719	1.6
56.14359	1.6
59.01087	3.8
59.01377	100.0
69.00413	2.1
71.01374	32.0
72.99294	2.7
73.02934	12.2
75.10084	1.7
80.71046	1.8
83.01388	11.2
85.02944	23.3
87.00858	3.9
89.02407	2.4
92.20057	2.4
95.01376	2.6
99.00863	3.5
99.30022	2.4
101.02418	31.3
111.00890	2.2
113.02431	28.5
125.02406	10.2
143.03477	4.3
159.02957	2.3
161.04607	7.3
177.08943	1.9
229.06195	3.6
317.19760	3.1
335.20816	3.6
427.19186	1.8
458.95212	1.9
461.23993	31.4
479.24921	48.4
497.26254	13.2
521.26074	55.2
530.71960	1.9
539.27063	42.0
581.28247	20.5
625.29138	2.1
655.84515	2.0
669.28217	12.3
670.39960	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	669.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01563	1.6
55.76316	1.9
55.82473	1.6
57.03453	2.0
59.01087	3.6
59.01381	100.0
62.35530	1.9
62.46803	2.0
66.07295	1.8
71.01376	31.8
73.02940	10.1
83.01382	4.3
85.02938	18.8
87.00858	5.0
88.98705	1.8
89.02415	7.8
89.91039	2.3
90.07824	2.0
95.01365	3.3
97.02911	4.2
99.00831	2.3
101.02431	27.6
111.00795	2.8
113.02439	24.1
116.92847	13.7
124.01624	4.2
125.02422	10.3
143.03476	3.6
150.05450	2.4
161.04579	4.3
229.06149	4.4
233.09161	3.2
242.30453	2.5
247.07190	3.3
275.31348	2.2
279.04477	2.1
296.02267	1.9
300.20444	4.4
317.19781	3.0
335.20776	3.7
461.23990	27.9
479.25018	43.9
497.25925	4.6
510.13257	2.3
521.26117	62.2
539.27130	32.1
581.28046	14.4
625.29553	3.3
639.26251	2.1
669.26837	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	669.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	30.3
59.95559	0.8
71.01366	9.9
73.02938	17.9
75.00847	1.0
83.01366	3.8
85.02932	4.3
87.00838	1.3
89.02439	4.3
92.19342	1.9
101.02441	13.8
106.81728	0.9
113.02425	11.1
113.59837	0.9
114.90032	1.1
116.92809	1.1
119.03443	1.9
130.08698	2.2
131.03419	1.1
143.03464	1.4
149.04512	3.8
153.05585	1.0
161.04538	8.9
167.51384	0.9
179.05562	1.3
181.05034	33.7
196.07405	100.0
209.08229	2.2
211.09767	56.0
221.06569	4.6
253.10786	1.0
272.70496	0.9
313.27811	0.9
371.13235	1.7
437.31210	1.1
563.20728	1.1
565.23145	11.1
625.24524	6.6
669.39600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03307	0.6
52.38806	0.7
59.01382	24.0
71.01381	6.8
73.02935	21.1
83.01382	3.5
85.02930	1.3
86.18927	0.7
89.02432	1.3
98.90173	0.8
101.02435	8.9
113.02433	1.6
145.02960	5.8
146.03726	3.2
147.04504	1.7
149.02382	0.9
149.06067	1.0
151.03993	4.1
161.02441	3.1
161.04703	1.1
161.06058	6.7
162.03209	25.0
163.03963	3.7
164.04817	8.7
165.05579	8.0
166.06339	10.5
177.05557	14.0
179.03531	1.1
179.07155	20.7
180.07912	6.5
181.05069	1.5
181.08672	1.8
195.06635	1.7
224.06830	3.2
225.07695	23.2
269.08249	5.5
273.22433	1.0
284.10446	6.4
294.74023	0.8
319.95609	0.9
385.12808	3.5
401.73621	0.9
532.96686	1.2
583.20227	1.1
625.21387	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	669.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.7
68.70421	1.0
71.01371	6.3
73.02930	1.6
73.11148	1.2
73.31232	1.1
81.46307	1.2
85.02955	3.0
89.02422	2.7
101.02430	5.6
113.02429	6.0
161.04521	2.2
211.09766	8.0
223.06111	27.0
238.08475	100.0
253.10812	91.6
385.75687	1.4
421.19403	1.5
447.16190	2.2
463.19644	36.4
669.28552	1.5
669.39105	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	669.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	18.7
71.01379	6.9
77.82071	2.8
79.24236	2.7
81.73034	2.7
85.02963	3.1
85.19543	2.4
89.02431	5.1
101.02435	11.3
103.66750	2.9
103.84976	2.6
111.89570	2.7
113.02409	3.5
121.02953	3.4
151.78584	2.7
212.03105	3.4
241.04979	6.4
253.05028	4.1
256.07449	20.8
268.07315	14.1
271.09888	12.2
283.09866	4.4
284.06955	3.2
295.06302	3.2
296.06848	13.3
297.04083	32.4
297.07336	4.7
300.06277	19.7
301.07336	3.9
311.05667	3.5
312.06427	71.1
314.08115	6.3
315.08719	84.3
327.08728	67.3
581.24902	5.4
669.20343	100.0
669.30957	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	669.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56546	0.2
56.20484	0.2
56.25123	0.2
59.01375	0.3
63.15544	0.3
68.87727	0.3
71.01367	0.3
74.27412	0.3
78.95900	2.2
79.95722	1.2
96.24960	0.3
96.95996	100.0
96.96877	4.7
98.40009	0.3
123.04521	0.7
137.02443	0.4
167.03520	0.5
199.19348	0.3
258.10324	0.3
297.86404	0.3
328.36691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
71.01392	2.3
89.02448	3.1
93.03409	3.5
101.02402	2.6
113.02460	2.6
119.04984	4.4
125.02319	2.1
156.08638	2.1
163.03976	16.6
181.04958	2.9
193.04984	3.8
217.69473	2.1
225.07443	2.6
241.05035	12.3
253.05119	2.3
256.07440	19.4
259.24948	2.5
268.07581	2.3
271.09555	4.0
280.03723	8.1
281.04501	34.0
282.05365	18.2
283.06143	2.6
285.04123	8.6
295.06021	8.4
296.06851	24.1
297.04080	57.6
297.07257	6.2
300.06393	63.7
312.06396	48.6
315.08765	100.0
315.12488	3.6
327.08728	68.5
345.09937	8.6
448.56436	2.5
669.20056	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67148	1.6
52.93891	1.5
57.03434	11.2
71.01381	2.1
73.15359	1.8
75.00858	2.6
83.01378	2.3
85.02935	100.0
91.26180	2.3
101.02446	8.0
111.00865	33.2
117.90796	1.9
119.05044	3.4
129.01926	37.1
147.03069	2.1
161.04530	2.3
163.03995	7.9
173.98618	2.6
205.03542	27.8
223.04594	39.8
353.17432	2.2
369.08270	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09622	1.3
53.18423	1.4
54.56883	1.1
55.52079	1.6
60.30398	1.2
64.72700	1.2
81.71375	1.4
86.51698	1.5
92.19302	2.3
103.64520	1.3
116.92841	100.0
144.90758	1.4
282.28979	1.4
502.58041	1.5
527.32538	1.3
642.41699	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	669.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55372	1.4
59.01384	1.5
62.29042	1.4
76.75659	1.6
77.26940	1.4
84.39409	1.6
87.00873	18.6
98.67101	2.1
103.24306	1.6
105.01903	2.3
117.74693	1.4
119.05014	12.2
123.03662	2.6
123.04512	56.1
129.68436	1.5
145.02905	2.1
149.06050	11.8
151.03998	2.2
152.01111	1.7
163.03995	48.8
165.05527	14.6
167.03505	28.6
193.05031	16.2
195.02994	29.5
235.13196	1.8
237.03912	2.4
255.05081	100.0
258.18652	1.7
375.11749	1.7
413.10849	29.3
546.68378	1.8
657.78522	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	669.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51927	1.4
71.90031	1.3
78.33040	1.4
85.62810	1.6
88.88924	1.4
91.55508	1.3
99.25420	1.4
99.92555	2.9
113.94624	1.6
116.92846	100.0
120.07795	1.6
126.00320	1.5
131.86552	1.6
207.08185	1.6
227.23802	1.6
242.18866	1.7
557.34998	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	668.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73880	0.7
55.77967	0.5
59.01375	4.8
68.26671	0.7
71.01371	11.2
73.02925	3.5
74.99088	10.5
77.70704	0.6
85.02912	4.5
96.07092	0.6
101.02431	9.0
113.02438	7.1
114.83232	0.6
119.49976	0.6
125.06147	0.6
143.03545	0.8
148.03990	0.9
148.06845	0.7
159.02982	1.4
161.04547	20.0
162.02249	1.0
174.23936	0.7
175.05159	0.9
179.03494	0.8
192.61865	0.6
194.05858	0.7
209.08186	2.6
244.09685	1.5
299.20148	100.0
340.83493	0.8
440.93530	0.7
501.17181	1.3
505.91040	0.8
582.27246	0.7
624.28430	54.3
638.25989	0.9
668.26740	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	668.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02994	1.5
71.30748	1.7
98.53499	1.8
106.99625	1.7
135.04514	28.3
144.92935	2.1
161.02425	100.0
161.04466	2.6
164.07143	7.8
177.01773	1.9
179.03497	85.3
179.05333	3.1
179.05669	3.1
191.28470	1.7
341.08765	61.2
401.75308	1.9
492.95782	2.2
503.14102	93.3
668.90625	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	668.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43560	1.7
59.01376	2.5
67.99370	1.9
70.60745	1.7
72.08672	2.0
106.12715	2.0
108.02166	4.7
123.04498	29.9
128.03546	32.9
141.97023	1.9
152.01147	4.6
167.03497	88.3
178.05051	11.3
181.05072	3.3
186.04034	3.1
192.06671	4.6
193.07439	3.1
203.49800	1.9
208.09761	6.8
218.04614	2.8
219.05490	2.9
234.07724	15.0
251.07979	24.6
252.08772	18.7
266.10355	38.9
277.05814	2.4
292.08411	4.0
488.15439	4.7
506.16699	12.0
539.17633	2.2
668.22040	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	667.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44581	1.5
59.01380	44.6
71.01372	24.0
73.02915	11.0
83.01366	7.2
85.02934	16.2
89.02450	11.9
92.19936	2.4
95.01371	3.0
99.00848	2.8
101.02432	37.0
113.02413	17.3
113.78284	1.8
116.92807	1.8
143.03503	1.6
149.09869	1.9
157.20145	1.8
161.04462	2.6
213.07628	2.1
249.85532	2.2
301.18420	3.1
301.21704	72.8
445.25797	13.5
445.32422	5.9
463.26855	7.3
507.17371	1.8
623.30212	2.4
625.31873	8.3
667.32898	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	667.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	20.0
60.01078	1.6
60.25886	1.9
71.01376	17.7
73.02940	7.0
79.15210	1.6
85.02946	8.2
86.36829	1.5
87.00861	3.9
89.02412	14.0
96.96001	23.4
96.96976	2.2
101.02409	26.1
113.02409	13.1
115.00322	2.4
119.03495	3.0
128.38628	1.7
131.03508	7.8
139.07666	6.7
161.04617	12.1
169.01884	2.0
173.08197	6.7
175.05127	3.3
202.82224	1.7
203.09332	11.3
233.09375	2.8
244.09810	3.6
289.17627	1.7
325.20200	10.3
327.21930	9.5
340.24680	1.9
344.58292	2.2
500.16711	2.3
505.26773	8.0
623.33521	2.6
667.32135	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	667.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54266	1.7
51.79101	1.9
62.10529	2.0
67.21673	1.8
103.56252	2.1
119.04966	19.1
120.09211	2.4
124.07668	9.7
138.09209	4.1
154.08711	18.0
163.03998	10.6
164.10762	12.2
188.39790	2.1
208.09761	13.5
213.14113	2.6
214.07346	2.7
215.08302	4.3
225.10336	14.0
229.09807	17.3
239.11858	14.4
241.09802	19.9
247.10818	4.9
255.11386	10.8
269.09390	3.4
269.12958	3.8
275.14032	11.5
299.10107	3.7
301.11935	85.5
319.12946	35.8
336.20721	3.1
362.18851	25.7
380.19925	2.8
406.17719	4.8
438.20233	9.4
606.35175	2.2
637.28851	59.8
667.18793	4.4
667.29932	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	667.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53201	5.0
70.66722	4.9
86.12549	5.2
86.37368	5.3
86.98520	5.2
92.19933	9.7
130.08723	27.5
154.08655	6.2
161.07220	21.8
189.10182	6.2
195.26959	5.6
213.06676	10.3
214.07535	11.8
215.08232	100.0
215.11752	8.2
233.09268	27.7
237.25610	5.9
241.09802	22.9
243.17175	11.6
258.24844	5.9
268.08405	12.2
269.09219	22.0
290.98425	6.7
299.10336	9.4
301.12079	9.8
470.33862	6.6
637.29047	85.7
667.30005	81.2
667.48401	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90023	1.7
59.01378	24.6
61.10016	1.7
61.34989	1.5
62.02460	1.6
64.82456	1.6
65.19625	1.7
66.72303	1.7
71.01370	2.5
73.65209	2.0
85.02950	2.0
85.34499	1.7
92.54520	1.9
101.02471	2.5
113.02454	2.0
124.07657	4.6
138.09273	14.3
154.08743	9.7
155.65344	2.0
164.10757	2.4
199.12413	2.3
209.08257	2.0
213.06621	7.8
215.08368	3.3
221.33977	1.8
225.10240	2.2
229.09821	10.3
239.11903	10.7
241.09718	13.9
254.10579	2.9
255.11430	12.7
257.61984	1.9
269.13022	4.6
275.14014	8.2
287.14203	2.0
301.11987	14.2
333.15012	2.4
336.20737	9.2
362.18719	36.1
394.21283	7.1
412.22122	2.5
424.18674	2.9
438.20340	44.7
446.03131	2.1
456.21686	9.4
461.17868	1.8
468.21130	2.0
637.28857	38.2
667.30084	100.0
678.27722	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	667.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
59.74613	1.9
67.95788	2.0
67.96162	1.9
82.02966	2.5
96.96021	4.0
102.95437	1.8
108.04546	4.8
112.03992	2.4
141.21460	2.1
148.04031	28.6
150.05568	17.4
154.05179	3.7
160.03973	4.6
161.04774	62.7
162.05507	2.8
162.06885	2.0
167.08244	2.6
168.06642	5.1
173.03551	2.6
173.05995	4.4
174.04303	5.0
175.05092	68.9
176.03517	3.4
176.05835	3.8
188.31422	2.3
191.08249	2.7
194.04585	17.4
201.07884	10.9
201.09407	5.1
202.03827	4.0
202.08684	21.7
216.06677	8.3
216.10263	3.1
223.06099	2.9
229.07355	2.7
231.07811	4.2
232.08519	23.9
233.09288	68.2
242.08337	3.8
243.09076	2.4
244.09848	100.0
245.06938	7.6
245.09338	17.5
246.07625	8.3
273.60922	2.3
282.12363	2.2
285.08725	2.9
286.09625	4.7
287.10477	17.0
288.08774	4.8
305.11307	15.3
312.14023	2.4
313.11972	2.3
370.18063	3.6
401.16180	4.7
445.15237	3.0
455.18231	4.9
472.20819	12.6
500.04974	2.7
500.16705	84.1
504.09903	2.3
637.25177	32.4
649.24707	2.8
667.26270	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64288	1.0
51.50623	1.1
52.00580	1.0
52.59250	1.1
59.01358	2.6
62.63891	1.3
69.02920	1.1
70.91488	1.1
72.03073	1.2
88.66524	1.2
89.02439	1.8
95.74957	1.3
97.46647	1.4
100.09518	1.2
108.02161	5.0
123.04488	31.7
127.05089	10.9
128.03517	3.2
132.68976	1.4
136.99754	1.5
145.06168	5.3
148.04016	2.8
153.03043	8.9
164.03528	7.9
166.05057	1.7
167.03471	3.1
178.05109	6.0
180.16158	1.3
192.06639	11.4
193.05008	2.0
193.69771	1.4
218.04547	6.9
233.09283	5.2
236.08009	57.5
249.10110	9.2
250.10397	5.7
251.10350	100.0
264.12402	7.7
265.12708	5.2
276.07620	3.0
277.08276	43.9
295.09329	1.7
487.17239	9.6
505.18103	14.1
591.56873	1.6
607.23608	1.6
667.23639	81.5
670.18073	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	667.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	2.6
85.27428	2.6
124.07675	3.6
148.04036	24.6
150.05617	19.8
154.05067	2.9
160.04030	5.6
161.04817	51.9
167.08163	5.4
168.06602	5.1
172.77533	2.7
174.04247	3.9
175.05119	74.0
189.06682	4.5
190.07512	4.0
191.08244	4.3
200.07137	2.7
202.03806	3.5
202.08736	11.4
203.04523	8.6
216.06509	4.3
232.08472	27.8
233.09290	55.9
244.09845	82.2
245.07030	3.4
245.09277	15.0
246.07701	4.6
263.10211	2.5
286.09628	4.5
287.10370	19.3
288.08664	5.5
288.81860	2.6
305.11514	5.9
326.11383	4.3
454.19958	3.8
472.20978	9.9
500.16806	74.1
581.69928	2.9
637.25085	27.0
667.26239	100.0
683.71246	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	667.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39097	0.5
59.01373	6.3
63.36286	0.5
75.00862	100.0
85.81045	0.5
87.74633	0.5
101.37621	0.7
114.42855	0.6
115.04088	0.7
117.01921	64.6
125.06071	0.8
150.04198	0.9
160.99493	1.3
161.00876	13.3
161.04520	0.8
208.10913	3.2
252.09938	3.6
575.94489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	10.3
62.27920	5.9
84.26590	5.8
86.65314	5.8
96.95999	37.8
98.69489	6.1
136.03999	44.9
166.75632	6.2
236.60457	6.7
252.05159	13.9
297.07816	9.3
312.10028	11.6
330.24329	7.9
337.07239	9.3
352.09702	9.6
353.06372	13.8
356.09003	31.2
368.08820	26.7
371.11392	9.9
383.11029	7.5
386.10013	32.9
389.12332	67.3
401.12439	13.6
409.15558	6.8
431.13208	29.9
443.13275	7.6
461.14572	10.4
581.18799	11.2
623.19958	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	667.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.4
65.96242	1.5
68.18981	1.5
71.01377	3.3
73.02944	14.9
76.53961	1.4
83.01346	2.4
85.02925	7.1
89.02425	1.8
91.49654	1.9
101.02415	6.8
126.35521	1.7
148.04044	2.4
149.02438	17.2
149.06015	1.8
150.05556	3.4
152.01077	2.2
158.30466	1.6
161.04802	2.5
162.03239	20.6
163.03984	7.1
164.04762	39.6
169.04994	2.6
175.05099	7.0
177.05602	14.8
179.07117	13.6
183.06514	2.2
193.01393	4.0
208.03755	62.5
222.05351	1.9
223.06113	44.1
233.09306	7.4
244.09721	8.0
253.88820	1.8
468.02811	1.9
500.16721	3.7
505.21765	2.2
623.19812	100.0
637.24951	7.0
667.25830	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	667.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.3
71.01357	1.6
73.02944	5.8
82.22552	1.5
84.45259	1.3
92.20035	4.9
96.95947	1.7
101.02433	2.2
108.04475	1.7
113.02420	3.1
124.07711	2.7
148.04066	14.0
149.02426	10.5
150.05595	9.6
152.01134	6.8
154.05078	1.7
160.04037	2.3
161.04811	31.3
162.03265	13.8
162.05591	1.8
163.03929	2.7
164.04765	29.4
165.06802	1.4
167.08206	3.4
168.06624	2.1
173.05922	2.1
174.04329	2.1
175.05106	40.1
175.06474	2.6
176.03639	1.8
176.05861	1.8
177.05533	6.6
179.07100	7.3
183.23880	1.6
190.07423	1.5
193.01416	6.9
202.08719	9.0
203.04478	1.4
203.08363	1.7
208.01834	2.6
208.03758	61.6
216.06749	5.0
216.10306	1.9
217.06206	1.4
223.06116	100.0
228.06673	1.8
232.08492	10.6
233.06943	2.4
233.09245	32.6
243.77118	1.4
244.09816	48.6
245.06950	2.9
245.09279	9.7
246.07681	2.5
269.09195	2.2
286.09570	2.4
287.10370	8.3
288.08875	5.7
305.11432	3.1
308.09909	1.7
326.11453	2.1
370.17715	1.5
383.11301	6.9
412.18793	1.8
442.19608	1.8
450.06628	1.5
454.19757	1.8
472.20862	6.9
498.01453	1.5
500.16733	37.7
521.54187	1.5
637.25238	16.3
667.26355	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48156	2.1
59.01361	3.0
60.27823	2.1
71.01385	4.1
77.02682	2.3
79.95721	2.9
87.00859	3.2
89.02385	2.8
90.50748	2.4
96.95993	100.0
96.96929	6.8
98.95570	12.8
115.00357	4.0
117.61331	2.9
119.04996	6.0
121.02949	5.8
133.06583	19.7
135.04526	12.2
149.06071	4.3
161.06052	3.1
163.03999	3.5
179.03505	27.8
181.05070	5.2
191.12431	2.5
194.27209	2.4
227.07109	58.1
250.58408	2.6
255.10269	78.5
281.08157	11.4
327.77386	2.5
338.29980	3.0
389.12262	3.9
400.99146	2.4
569.18292	5.1
667.18616	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60648	0.3
59.01371	5.1
71.01397	0.6
73.02950	0.7
75.61256	0.3
93.03437	100.0
96.95968	0.5
101.02406	0.7
102.42381	0.4
116.76431	0.4
116.88348	0.3
119.05003	7.0
143.12291	0.3
147.75061	0.3
163.03983	8.6
185.18513	0.3
203.05544	1.2
244.09998	0.3
297.09796	17.0
325.09271	3.0
417.20551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87738	3.2
59.01372	28.9
59.97145	3.5
60.12545	3.5
71.01373	27.1
73.02927	5.0
85.02930	6.9
87.00858	5.7
89.02419	21.4
96.96006	44.6
101.02418	31.8
103.12817	4.1
113.02435	27.9
119.03478	5.7
127.07648	5.0
131.03464	7.3
132.81798	4.0
149.09711	16.7
161.04503	19.3
173.08170	42.0
179.05579	5.4
180.30185	3.7
215.62898	3.8
221.06680	6.7
245.09245	8.4
353.75851	4.2
356.49536	4.2
404.25192	5.7
488.29672	4.2
597.21454	4.1
621.31628	5.4
665.30591	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	667.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44344	0.6
59.01387	5.2
71.01364	5.5
72.72829	0.6
73.02943	1.5
75.00876	0.8
78.95908	1.3
79.95737	1.4
85.02931	2.6
87.00860	1.2
89.02399	4.7
89.91819	0.6
96.95994	100.0
96.96979	3.8
101.02435	5.3
113.02428	5.7
119.03479	0.9
127.17307	0.6
131.03528	0.9
139.07651	1.4
148.04074	0.8
161.04610	3.6
173.08156	1.0
175.05121	1.1
182.02147	2.9
197.04532	13.2
203.09236	3.3
233.09218	0.9
239.05608	1.0
244.09837	1.0
325.20224	3.4
327.21936	1.4
343.21100	1.1
407.13013	0.8
569.18756	5.8
621.35571	0.8
667.32513	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	665.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	40.4
71.01375	10.1
73.02934	20.8
74.02447	6.5
75.00869	6.9
85.02927	19.2
87.00872	4.5
89.02419	4.5
96.96015	6.8
101.02463	8.5
101.20683	4.2
113.02428	27.8
115.02853	4.2
116.03484	6.4
136.07655	16.3
150.52583	4.2
153.06488	4.1
166.12360	21.9
202.07463	7.8
203.08253	68.7
210.11357	28.0
217.09949	5.0
228.05441	9.0
229.06114	100.0
241.09731	8.6
243.07671	62.1
245.09276	46.2
247.07278	41.9
261.08865	36.5
273.12546	6.8
299.10263	8.9
317.11368	83.7
325.97473	4.4
335.12518	35.9
423.42297	4.4
430.94193	4.3
448.33060	4.6
498.18738	16.7
621.30042	39.0
635.27161	51.7
665.28186	89.0
665.39087	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18555	3.5
58.44944	3.6
59.01376	69.6
65.05767	3.7
67.24777	3.8
69.37207	3.5
71.01378	36.3
73.02969	4.3
77.23624	4.1
82.36928	3.4
83.01382	4.6
84.37693	3.6
85.02952	15.3
87.00844	5.5
89.02446	28.4
92.20084	7.1
96.95997	33.5
97.02993	3.8
101.02421	41.1
113.02414	27.1
114.19419	4.0
119.03514	5.5
125.02413	5.8
129.53079	3.9
131.03442	5.2
161.04526	19.7
189.12779	4.8
219.13815	19.1
221.06567	4.4
223.73170	3.7
239.58881	4.2
312.69540	3.8
399.20633	4.4
459.22244	8.5
461.91357	3.8
579.26434	21.6
621.27631	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	665.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16136	1.2
57.30668	1.1
59.01118	1.9
59.01382	30.2
61.86480	1.1
71.01382	24.5
73.02927	11.2
80.52715	1.1
81.09347	1.3
83.01402	2.2
85.02938	8.7
87.00844	5.8
89.02436	16.1
92.46487	1.4
96.95993	23.1
101.02434	30.2
113.02448	19.3
119.03456	6.4
122.68213	1.4
125.02457	1.3
131.03468	12.8
159.02965	1.7
161.04546	13.1
163.02541	1.5
175.14938	13.5
219.13841	1.9
221.06680	9.6
541.52264	1.4
567.16968	1.4
621.27649	100.0
665.29889	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	665.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40750	0.5
59.01381	8.6
71.01359	1.1
85.84045	0.6
94.22086	0.6
96.95998	6.3
97.06551	2.9
123.08154	23.0
125.09710	17.0
129.09258	0.6
133.06593	1.3
141.09183	3.4
151.07626	23.9
167.07135	1.3
169.08687	18.1
177.21306	0.6
183.02814	0.7
185.55588	0.6
195.06621	4.6
209.71432	0.7
213.07684	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	665.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86670	0.7
62.32594	0.7
99.92571	4.2
116.92841	100.0
121.69907	0.8
125.15585	0.9
196.69783	0.8
237.02153	0.8
392.99542	0.8
516.16309	0.9
594.51300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32293	1.6
57.60504	1.7
58.02962	3.9
59.01377	26.7
63.42583	1.8
70.02959	12.4
71.01355	8.8
73.02938	9.8
74.02465	41.6
75.00859	4.6
84.22436	2.0
85.02946	12.1
87.00870	2.6
89.02418	3.0
89.39328	2.3
94.28297	2.2
94.96349	1.8
96.96014	2.5
98.02453	7.9
101.02427	3.1
113.02424	8.8
116.03529	20.8
116.05026	4.2
119.03459	2.2
136.07645	3.9
146.05034	2.2
161.04741	4.1
161.32811	2.2
166.12350	9.4
175.05087	2.3
178.49500	1.7
179.12997	2.0
201.10370	8.3
202.07344	4.2
203.08247	97.1
210.11343	12.9
228.05484	2.6
229.06143	34.3
241.09712	2.4
243.07698	27.7
244.09822	4.2
245.09296	100.0
247.07204	9.2
260.38040	2.6
261.08713	8.4
273.12305	3.7
289.08243	3.7
299.10510	3.9
317.11426	25.2
335.12573	9.5
427.00781	2.1
439.12460	1.9
466.16016	3.5
513.71112	2.1
520.35693	2.2
621.29956	19.0
633.25793	3.5
635.27460	14.7
665.28461	26.7
665.38184	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	665.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21255	1.3
59.01370	2.3
73.82079	1.3
89.02478	2.2
89.49267	1.7
96.95998	2.2
113.02449	1.3
119.03510	1.5
123.04527	10.0
133.02951	5.3
135.04514	17.3
161.02425	100.0
179.03493	31.2
195.03091	1.9
221.04546	1.9
255.05092	7.4
323.08142	1.4
370.81155	1.5
503.14075	52.6
665.19507	14.7
665.44977	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	665.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61169	0.5
57.92247	0.6
59.01380	0.9
63.72488	0.6
96.95997	0.8
121.02927	0.7
122.03715	2.9
122.89144	0.6
123.04512	37.6
133.94325	0.6
145.02838	0.9
147.04506	1.0
150.03258	1.0
161.02495	2.6
165.05551	100.0
166.57805	0.7
214.81271	0.7
248.72491	0.6
249.12450	4.8
251.10515	0.7
253.03552	6.5
326.19977	0.7
339.97940	0.7
411.17383	1.1
458.91473	0.7
539.93829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28244	2.0
51.08809	1.8
58.67306	1.8
58.89925	1.9
59.01382	2.4
76.65778	2.1
85.02960	2.4
93.07040	1.9
96.95989	22.7
106.99107	2.0
113.02419	2.8
116.92825	3.4
140.32310	2.1
146.03613	2.8
147.04553	4.3
171.34074	2.1
173.02440	5.3
217.06465	3.7
225.05507	5.2
233.06007	3.4
235.07642	29.6
251.07097	15.9
253.08672	15.0
261.05560	29.5
268.95236	2.2
277.04999	18.2
278.05804	28.8
279.06644	100.0
286.69171	2.5
323.05530	25.8
370.80798	2.2
441.11844	23.0
485.10941	50.3
526.85492	2.5
640.60034	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	665.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.0
65.35015	0.8
67.64378	0.7
68.06593	0.7
71.01371	3.2
82.04110	0.8
89.02425	3.3
92.19991	0.7
93.03444	1.4
93.07778	0.8
97.02956	0.9
101.02423	1.4
110.39793	0.6
113.02428	2.8
119.03466	2.8
125.06043	3.5
133.02922	3.6
134.03835	1.0
135.04509	17.4
137.02405	6.9
161.02432	100.0
162.37590	0.7
177.05522	1.0
179.03493	33.0
181.85497	0.7
221.04524	1.3
222.68236	0.7
251.05560	1.1
281.06625	1.2
299.07581	1.3
323.07687	0.9
331.34143	0.7
338.26242	0.8
365.18243	7.6
385.69611	0.7
503.14093	51.3
621.24261	1.0
665.19586	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	663.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65158	3.7
54.26738	3.5
59.01379	100.0
86.07447	4.2
90.34048	4.3
101.20944	5.3
111.15908	4.5
140.99165	4.4
199.17032	17.0
217.17163	4.0
227.20117	21.1
451.37802	6.5
511.40244	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	664.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18353	0.7
58.04116	0.9
62.27203	0.7
63.30978	0.6
71.01373	1.8
96.95999	3.6
97.02923	1.8
106.82655	0.8
107.81524	0.8
111.39230	0.8
125.06066	4.9
135.04509	3.6
147.09261	1.0
191.41258	0.8
198.80742	0.9
208.10921	5.7
249.12447	100.0
252.09842	8.2
411.13037	1.1
411.17712	31.6
474.07614	0.9
577.59650	1.1
593.27264	0.8
644.83282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34186	2.2
61.98501	3.3
61.98826	100.0
75.80759	2.1
77.29946	2.1
79.95391	2.1
86.80619	2.1
115.56628	2.4
121.44659	2.2
125.87534	2.2
507.97739	2.6
607.42853	2.8
653.04846	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	663.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
59.01376	29.4
68.70030	0.9
71.01369	19.3
71.34232	1.0
73.02930	9.2
83.01362	2.3
85.02946	8.7
87.00862	2.2
89.02432	7.1
95.01383	1.5
99.00845	4.5
101.02425	17.4
113.02434	12.6
125.02418	4.2
140.66684	1.1
143.03450	1.7
161.04512	2.0
180.04303	1.2
225.32059	1.0
253.17973	1.7
286.39047	1.0
348.62442	1.1
378.84503	1.1
397.22168	5.3
415.23325	19.5
421.58096	1.1
457.24719	1.7
559.27551	1.2
577.28656	4.1
608.04755	1.3
619.29706	100.0
631.30786	1.2
663.25983	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	663.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	56.8
61.98826	4.9
71.01389	49.4
73.02927	20.8
81.52511	3.6
83.01347	4.5
85.02951	23.6
87.00833	4.7
89.02424	34.2
91.88292	4.2
101.02428	60.5
104.27760	3.7
113.02424	40.0
119.03465	16.4
125.02432	5.7
131.03456	4.9
143.03435	4.7
147.93828	3.8
161.04544	19.3
221.06656	21.0
240.12477	4.1
247.73785	4.7
273.21442	4.0
561.29156	30.7
577.29102	5.7
603.30188	100.0
619.29919	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	663.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	30.4
64.66299	5.3
69.79540	5.3
71.01387	27.5
85.02953	13.6
89.02425	5.4
94.92113	6.5
96.96012	5.7
101.02434	12.5
113.02462	11.9
123.59497	5.6
159.38821	6.5
415.23212	12.1
441.36758	5.8
514.96155	7.1
535.47766	6.0
619.29553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.9
61.67825	1.1
71.01372	19.5
71.05002	1.6
72.99288	2.7
73.02927	8.0
74.04993	1.1
83.01372	1.5
85.02931	7.8
87.00833	4.2
89.02430	21.8
95.92826	1.2
96.95956	1.5
97.06544	2.3
101.02429	25.6
109.06579	1.5
112.20527	1.2
113.02440	11.1
115.98970	1.3
119.03470	6.9
121.06574	1.4
125.06065	2.1
127.07621	1.3
131.03482	9.1
135.08138	2.1
141.09291	1.4
147.08194	1.4
159.02934	2.2
161.04579	14.3
173.08104	5.5
179.05563	2.5
201.07664	2.5
215.09119	2.3
221.06558	8.9
249.11386	1.6
257.15552	1.9
258.02411	1.3
263.07684	1.5
275.16513	1.6
303.16089	2.4
321.17123	16.3
533.26093	2.5
573.73315	1.4
619.29773	4.7
633.66174	1.3
663.28760	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	663.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79871	1.1
57.03455	4.5
57.47127	1.1
58.34719	1.1
59.01378	30.7
61.15907	1.1
69.73963	1.1
71.01378	18.2
72.99308	2.4
73.02931	2.9
75.00865	30.1
80.17548	1.1
83.01372	1.5
85.02943	27.6
87.00838	8.3
89.02438	7.7
92.19980	1.6
95.01358	2.8
95.32523	1.1
96.27193	1.2
99.00851	8.7
101.02428	6.8
112.01685	1.1
113.02425	30.8
115.00340	5.0
119.03379	1.3
142.37558	1.2
160.72925	1.1
175.02583	1.3
246.34085	1.4
361.30414	1.1
472.83450	1.1
560.85846	1.2
600.88184	1.4
619.29730	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	663.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34927	1.3
56.33014	1.3
56.68771	1.3
59.01381	11.3
61.98804	1.2
68.90604	1.3
71.01357	3.3
72.99294	17.7
73.02928	1.9
75.00861	2.9
82.33951	1.7
85.02940	2.5
87.00875	2.7
89.02405	1.9
92.19419	2.2
101.02424	6.1
113.02451	3.8
122.06105	2.3
133.01300	1.4
142.11931	1.5
183.05347	9.3
187.37146	1.7
190.05031	3.4
215.11865	11.0
220.06122	8.4
227.08253	2.4
229.09837	3.0
241.09821	10.2
243.11354	3.1
245.12907	2.0
253.09824	2.1
254.10661	3.0
255.11346	8.0
256.08508	1.8
257.09274	7.6
259.14417	1.9
269.09259	7.6
271.10861	8.2
280.08585	1.8
281.09256	1.9
284.07993	2.0
285.08899	2.5
297.08893	2.9
298.09750	1.8
301.08505	6.0
311.10349	2.6
315.09836	3.3
329.11411	27.7
404.12299	3.6
614.72015	1.7
619.28607	7.2
636.41602	2.0
663.26678	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	663.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.0
63.21484	1.3
71.01360	1.4
72.66656	1.3
72.99300	17.8
73.02924	1.3
85.02948	2.1
116.92854	1.5
119.83771	1.5
122.06075	3.0
129.72911	1.4
131.66614	1.5
165.04282	2.0
183.05328	8.8
188.03522	2.0
190.05035	2.7
215.11862	10.3
217.13313	1.7
220.06140	8.1
225.10310	2.2
227.11906	2.4
229.09743	8.0
241.09770	7.6
243.11459	5.8
245.13013	2.0
247.10106	1.6
253.09821	5.6
254.10544	3.3
255.11383	6.3
257.09290	10.0
269.09314	6.9
271.10782	5.9
280.08508	2.6
287.09961	1.5
297.08801	3.4
299.10287	1.7
301.08301	3.5
314.27832	1.6
315.09894	3.3
316.10556	1.8
329.11508	25.9
403.11673	1.6
474.36749	1.7
663.26776	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	663.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.1
61.07311	1.3
61.50911	1.1
71.01358	9.0
72.99284	15.3
73.02923	2.5
75.00829	1.5
83.01354	2.2
85.02934	1.3
87.00848	2.9
89.02422	6.8
100.52389	1.1
101.02456	11.6
109.23249	1.1
113.02444	7.1
119.03461	2.0
161.04666	2.2
183.28278	1.3
188.06175	1.4
190.05118	2.2
214.11143	1.6
215.11893	20.7
220.06117	2.5
225.10373	2.7
227.08322	1.8
228.08981	1.4
229.09808	9.1
235.16992	5.2
239.11957	1.3
240.09021	1.6
241.09900	4.8
243.11334	5.6
253.09825	8.0
253.18161	2.1
254.10599	6.4
255.11430	9.9
257.09277	12.1
264.52054	1.6
269.09439	10.0
270.10074	1.9
271.10910	6.7
272.11575	1.6
281.09265	1.4
283.10941	1.5
284.08130	2.3
285.08829	5.1
285.12271	1.1
287.10483	2.8
297.08862	2.0
299.10382	1.5
301.08432	9.4
301.11630	1.6
311.10339	2.7
315.09863	6.2
316.10660	5.1
329.11453	44.8
341.11841	1.4
345.10925	1.8
392.83383	1.5
397.22324	1.6
404.12271	2.7
415.23236	2.8
603.29987	1.6
619.29431	23.9
663.26801	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	663.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63500	0.8
51.65760	0.7
52.68831	0.7
56.41555	0.8
59.01374	9.6
71.01360	5.7
72.99290	16.9
73.02939	1.5
75.00864	1.1
75.66752	0.7
76.14400	0.8
85.02942	3.1
87.00884	1.5
89.02412	4.2
92.19451	1.1
99.00838	1.1
101.02435	8.1
113.02423	4.8
131.03470	1.0
139.19940	0.8
161.04587	1.7
179.05518	1.5
190.05046	3.6
213.10373	1.2
215.11871	17.3
220.06123	1.9
221.06708	3.1
225.10263	4.1
227.08247	1.5
227.11922	1.2
228.09004	1.9
229.09792	6.7
239.11893	1.3
240.08920	1.0
241.09830	6.1
243.11441	7.2
253.09781	6.9
254.10518	5.3
255.11420	6.5
256.08588	1.4
257.09302	14.9
259.10782	1.0
263.07703	1.6
269.06375	1.1
269.09329	11.9
270.10223	1.4
271.10864	6.2
279.07843	0.9
281.09164	3.5
283.10840	1.6
284.08115	3.6
285.08768	4.5
285.12329	0.9
287.10416	4.2
289.11804	1.4
297.08731	4.9
298.09863	0.9
301.08231	7.9
301.11584	2.1
309.08798	1.4
311.10370	4.2
315.09830	5.9
316.10629	4.8
329.11444	41.5
341.11282	1.0
345.10828	3.6
354.10034	0.9
404.12286	4.1
619.28607	9.0
631.24548	1.0
663.26782	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	663.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29262	1.0
57.73458	0.8
67.63407	0.9
87.00871	17.1
96.96008	3.8
115.21691	1.2
119.05009	27.6
135.04523	10.9
143.87540	1.3
163.04002	100.0
207.11310	1.6
249.12444	79.8
325.09326	4.6
352.91528	1.1
413.10913	41.0
633.02679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34761	0.8
59.01374	6.8
71.01369	3.9
72.99296	17.3
73.02915	1.0
75.00871	3.5
78.04144	0.8
84.13944	0.9
85.02932	4.2
86.51535	0.8
87.00829	1.3
93.99406	0.9
98.95463	1.0
101.02394	1.9
101.77300	0.8
105.13168	1.0
110.06106	2.1
111.15634	0.8
113.02429	5.1
122.06067	1.4
128.63928	0.9
146.21078	0.8
161.04572	0.9
165.04289	1.5
181.55910	0.9
183.05367	7.1
188.03571	1.6
190.05090	4.5
215.11890	10.5
220.06061	7.4
225.10309	3.3
227.08188	1.1
227.11856	1.0
228.08905	1.7
229.09773	5.8
241.09813	10.0
242.10689	1.1
243.11304	7.1
244.12288	1.2
245.12773	1.8
253.09894	7.2
254.10617	4.5
255.11406	5.3
257.09335	7.2
259.14383	1.7
265.09818	2.0
267.07687	1.0
269.09256	9.9
270.09888	1.0
271.10861	5.9
272.57361	0.9
275.50266	0.9
279.07706	1.6
280.08475	1.9
281.09222	6.6
282.10040	1.8
283.10870	3.4
284.08005	3.4
285.08871	3.7
287.10245	1.7
292.08588	0.9
297.08789	5.3
298.09778	2.0
299.10474	1.2
301.08160	4.5
301.11771	1.5
309.08862	1.2
311.10355	4.4
315.09686	3.3
316.10596	3.8
328.10764	1.0
329.11401	25.9
341.11362	1.8
345.10843	1.2
403.11243	3.8
404.12177	3.3
567.04718	0.9
592.46484	0.8
619.29022	11.2
663.26727	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	663.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38488	0.6
53.25483	0.6
72.53808	0.7
72.99291	27.5
75.34467	0.7
82.02971	5.6
136.03986	1.0
138.05592	56.0
161.02501	1.4
179.03465	1.6
211.59656	0.8
216.10277	3.2
229.06116	1.8
242.08199	1.1
243.07732	1.8
244.08441	4.6
247.10883	26.2
259.10858	69.7
303.09915	3.5
313.37793	0.7
321.10913	100.0
341.08820	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	663.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00421	0.3
59.01378	0.3
60.33687	0.2
71.62833	0.3
75.03113	0.3
78.95898	10.8
79.95726	1.3
87.66176	0.3
96.95995	100.0
96.96923	23.2
98.95601	0.4
224.88544	0.3
254.20816	0.3
565.19299	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	663.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26535	1.5
59.01376	100.0
68.24119	1.6
85.34783	1.5
85.76544	1.7
87.00847	7.3
91.33019	1.7
101.02444	2.7
119.05037	18.8
145.02939	69.0
145.62465	1.5
152.47322	1.8
161.04558	2.6
163.02621	3.3
163.03986	89.0
189.05551	39.7
210.53651	1.9
251.05734	13.7
293.06677	35.3
331.31512	1.7
339.24445	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	662.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41468	0.7
57.53993	0.8
63.96235	89.3
71.50706	0.9
74.89409	0.9
86.24589	0.9
86.87589	0.9
88.02247	15.9
94.22250	1.0
96.95985	3.9
110.43892	1.1
116.07152	2.4
132.04874	100.0
157.08676	5.7
180.01608	83.9
180.03310	17.1
240.13541	15.7
328.41681	0.9
373.09998	1.0
421.15881	7.1
422.15417	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	662.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
62.74905	0.3
63.00505	0.3
71.77033	0.3
78.95893	0.6
79.95731	1.3
88.98367	0.3
96.95995	100.0
96.96996	2.7
136.04706	0.3
186.77005	0.3
226.72916	0.4
248.47141	0.4
283.98068	0.4
317.04907	0.4
539.65485	0.4
562.53845	0.3
584.18530	0.3
662.37848	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	662.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24187	1.3
62.11283	1.2
62.39177	1.3
99.92556	2.2
107.53455	1.3
116.92847	100.0
129.11789	1.3
457.21274	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	662.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28904	0.4
55.40584	0.4
55.94639	0.4
78.95890	0.6
80.77050	0.5
96.95992	100.0
96.96870	4.1
141.04277	0.4
207.80231	0.5
208.10844	0.5
311.20987	0.5
330.23627	0.5
350.06824	6.6
393.54623	0.5
619.35828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69994	13.4
59.01366	26.4
60.49225	12.5
89.02431	21.6
116.92840	100.0
117.92896	17.7
167.08723	16.4
168.59271	16.4
201.62224	19.4
277.21530	39.3
294.48355	19.1
308.89282	16.0
596.11749	18.6
601.31915	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25519	0.2
99.92583	3.7
105.92658	0.3
114.93389	0.3
116.92843	100.0
116.97243	1.2
117.01910	0.4
130.87134	0.3
146.86977	0.3
207.43933	0.3
263.82840	0.3
265.54190	0.3
345.91202	0.3
405.94717	0.3
549.81146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59444	10.8
62.83675	11.2
67.71163	11.7
80.96500	16.4
82.67768	14.1
85.44935	12.5
87.00858	20.2
101.02390	23.3
102.48727	13.1
108.37030	16.3
217.60526	16.1
251.10909	14.7
253.60196	14.4
276.26123	15.6
277.21741	100.0
321.46918	14.5
323.09839	52.7
354.22150	15.4
579.28461	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	661.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47362	1.3
59.20088	1.4
71.02491	2.7
71.41871	1.5
91.05503	2.1
93.03417	2.9
112.02738	1.6
116.05055	2.5
118.06617	2.2
119.05031	10.3
123.53542	2.0
134.06120	9.1
136.07729	1.9
146.06114	12.7
147.04514	3.8
157.05252	3.6
158.06064	2.2
162.05611	2.7
163.03955	7.3
171.05721	3.0
180.06676	21.4
185.07201	2.8
186.05574	3.9
189.06697	9.7
191.08307	3.2
200.05904	15.8
200.07643	1.7
201.06563	3.5
218.06911	1.9
221.09608	1.6
227.61838	1.6
229.77559	1.8
247.12477	2.5
248.10858	3.0
264.10300	2.9
266.11865	3.0
273.10309	10.7
285.10327	6.2
286.11115	9.5
291.11475	14.2
292.09674	2.2
309.12427	7.9
377.16638	13.3
421.15659	13.3
602.23041	100.0
617.27502	2.0
661.35034	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	661.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73870	1.1
66.69514	1.1
72.00884	2.8
74.55189	1.3
81.48972	1.2
83.02483	1.4
91.05499	1.5
92.19959	1.5
93.03475	1.7
98.01200	1.5
100.85457	1.3
105.36395	1.3
111.02013	1.6
116.05063	5.7
117.49506	1.2
118.06577	2.5
119.05005	7.9
130.06651	1.5
133.05333	1.8
134.06100	10.4
146.06096	18.5
147.04482	2.4
157.05287	2.9
158.06123	5.1
161.07237	1.6
162.05632	3.0
163.04019	8.9
171.05612	2.7
173.07137	2.0
174.05583	1.9
180.06682	19.9
181.89413	1.5
186.05591	5.0
189.06697	8.1
191.08394	4.2
200.05862	12.8
201.06705	3.1
218.06924	1.3
221.09482	1.7
247.12411	1.9
248.10759	9.0
264.10291	5.8
266.11942	2.4
273.10291	8.8
285.10382	7.7
286.11124	8.9
291.11450	12.9
292.09845	3.0
309.12524	10.0
327.13559	2.5
377.16541	10.1
421.15488	18.4
455.16333	1.4
602.23029	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	661.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	1.1
59.01374	38.2
61.98825	1.4
71.01371	33.6
73.02927	10.6
73.63057	0.8
82.72071	0.9
83.01392	5.2
85.02939	14.4
89.02425	27.1
95.01387	1.8
96.95956	4.2
97.01630	1.0
99.00845	4.3
99.73690	1.0
101.01783	2.2
101.02427	42.1
102.61906	1.1
104.48982	1.0
113.02428	27.6
119.03472	7.1
125.02354	1.9
129.01849	1.3
129.13231	1.2
131.03465	2.0
137.20583	1.0
138.47629	1.1
143.03455	4.1
149.06042	1.4
159.02965	5.1
161.04515	18.5
171.61400	1.1
179.05513	1.4
183.34492	1.2
193.04993	1.2
209.61272	1.2
212.70103	1.0
293.23511	1.2
307.17642	20.6
319.13736	1.2
439.21921	4.3
601.27161	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	661.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44496	1.5
57.03422	2.0
59.01377	29.4
71.01382	17.7
73.02938	7.2
75.00865	21.9
79.05649	1.5
83.01390	1.7
85.02925	22.7
87.00838	2.8
89.02422	9.9
92.19994	1.8
95.01383	1.8
97.02943	2.2
99.00868	8.9
101.02437	12.9
103.42635	1.4
113.02435	36.8
161.04538	2.1
192.46651	1.4
197.78337	2.1
211.03984	1.6
308.91812	1.5
490.28867	2.3
617.28223	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	661.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15878	1.2
54.87364	1.4
57.03452	2.6
59.01372	23.6
59.25388	1.5
68.12629	1.5
71.01375	19.3
71.20535	1.7
72.99313	2.7
73.02946	7.8
75.00864	24.6
78.18458	1.6
85.02934	26.7
85.81065	1.7
87.00858	7.7
89.02431	10.9
95.01364	2.3
96.67161	1.8
99.00878	3.8
101.02417	11.1
113.02441	33.6
115.00394	2.5
122.06023	2.2
131.03549	2.2
150.05632	2.4
177.43730	1.7
219.66814	1.9
221.03032	2.3
270.76871	1.6
308.26480	1.5
315.28632	2.0
617.28229	100.0
617.38531	3.3
647.83887	1.9
661.25323	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76838	0.8
52.01883	0.9
57.03441	4.0
59.01088	1.1
59.01379	32.2
71.01373	24.5
71.14773	0.9
72.99321	2.1
73.02929	5.9
75.00865	27.9
83.01360	1.9
83.38300	0.9
85.02934	30.7
87.00862	7.7
87.35889	1.0
89.02446	4.0
95.01357	2.3
96.95981	1.5
97.02905	1.5
99.00857	11.1
101.02422	10.3
113.02432	38.8
115.00327	4.3
117.01939	1.9
117.26447	1.2
122.46896	1.0
125.02463	1.2
143.03468	1.0
150.88293	1.2
159.03038	1.6
161.04556	2.0
197.88873	1.0
237.18698	1.0
359.08008	1.0
579.44647	1.1
608.82697	1.1
617.28149	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	661.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33695	3.3
59.01376	100.0
59.41140	3.6
70.60680	3.4
71.01366	63.4
73.02939	41.9
83.01388	15.5
83.05011	5.0
85.02965	25.8
89.02442	54.9
95.01347	6.0
101.02431	66.8
113.02425	56.9
119.03480	14.8
125.02457	5.3
131.03493	14.3
155.22127	3.3
159.02959	5.3
161.04515	23.2
179.05609	30.0
219.91219	4.2
221.06642	26.1
221.15425	8.1
235.84286	3.9
259.66333	3.7
263.07672	19.8
382.29272	4.5
557.25934	23.3
575.27002	20.4
617.28210	82.8
637.72284	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	661.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67283	3.2
57.03423	3.3
57.46153	3.2
59.01371	72.0
68.38879	3.6
68.39256	3.4
69.17358	3.9
71.01373	67.9
73.02935	25.0
78.63877	3.6
83.01381	13.9
85.02948	26.9
87.00838	7.5
89.02438	54.7
92.19377	4.5
99.00864	4.7
101.02429	67.9
108.06294	3.5
109.52760	4.0
113.02433	50.9
114.87174	3.8
119.03466	6.6
131.03479	24.0
143.03580	5.3
161.04578	32.9
179.05594	24.7
221.06628	24.0
233.15363	4.1
251.16470	23.3
263.07693	17.5
514.16376	4.0
575.27106	21.3
617.28253	100.0
644.43518	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	661.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.6
59.01379	24.1
59.14682	1.6
71.01376	17.5
71.32413	1.6
72.99323	2.0
73.02927	3.6
75.00863	28.5
85.02937	33.6
87.00865	8.8
89.02417	3.1
95.01367	2.5
99.00878	8.1
101.02428	8.7
111.17252	2.0
113.02436	37.5
115.00311	1.9
117.01913	2.5
123.33430	1.5
129.01886	1.8
131.03487	1.7
177.17264	1.7
181.46542	1.9
243.11304	1.7
271.10852	2.4
306.99521	1.7
617.28137	100.0
661.24921	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	661.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17258	1.3
55.06917	1.6
57.03455	2.6
59.01376	31.5
59.96931	1.7
71.01373	23.1
72.92872	1.3
72.99310	1.9
73.02931	9.0
75.00861	21.2
80.30151	1.4
83.01366	2.7
85.02934	30.2
87.00862	6.3
89.02428	6.8
92.19844	2.3
95.01373	2.8
97.78718	1.7
98.96248	1.5
99.00871	7.2
101.02430	10.6
113.02437	32.4
119.03503	1.6
122.06158	1.8
131.03461	2.0
139.39565	1.5
150.05609	3.6
184.72295	1.8
248.20915	1.4
352.75293	1.7
617.28137	100.0
661.24878	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	661.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01047	0.8
57.03442	2.0
59.01379	27.0
66.34487	0.8
71.01365	16.9
72.98894	0.8
72.99291	4.4
73.02929	3.9
75.00859	22.6
75.01258	1.3
83.01400	1.3
83.84850	0.8
85.02934	27.1
87.00861	7.3
89.02411	4.8
92.19418	1.1
95.01376	4.8
96.95976	1.0
99.00861	10.4
101.02415	8.3
113.01669	1.4
113.02428	31.5
115.00339	2.1
117.01902	1.3
145.25989	1.1
148.99796	1.0
157.01309	0.9
161.04561	1.1
173.04480	1.4
222.80832	0.8
280.99078	1.0
617.28143	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	661.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08511	0.7
52.52534	0.8
55.01881	1.2
57.03445	3.5
58.83810	1.0
59.01379	31.2
71.01375	18.6
72.99295	4.4
73.02946	4.2
75.00868	19.8
80.11502	0.8
83.01387	1.5
85.02941	28.3
87.00859	4.8
87.33117	1.0
89.02440	2.1
90.08736	0.9
93.55030	1.1
95.01353	4.2
99.00863	9.5
101.02438	6.9
113.02430	30.0
115.00341	1.3
117.01920	1.6
162.84399	1.2
291.76950	0.9
464.32281	1.0
464.58798	0.9
467.91089	1.0
617.28204	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	661.272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96615	2.3
58.78492	2.1
59.01379	24.8
59.01624	2.2
60.27217	2.2
68.01641	2.3
71.01369	19.8
72.99298	3.6
75.00858	17.8
85.02942	20.2
85.03381	2.4
87.00856	4.2
95.01385	4.3
99.00837	4.9
101.02447	9.1
102.21928	2.5
102.41093	2.7
113.02431	23.3
114.15067	2.3
117.01929	2.7
151.91112	2.7
153.41306	2.8
186.68605	2.4
191.41849	2.6
252.00269	3.0
617.28137	100.0
689.54889	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	661.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49501	0.5
59.01371	7.2
66.83241	0.6
68.47204	0.5
68.58649	0.5
71.01375	2.9
73.02950	1.3
81.94891	0.7
85.02962	1.3
89.02428	1.4
89.82782	0.6
91.80695	0.6
93.03441	32.9
95.92039	0.7
97.32307	0.6
100.23788	0.5
101.02420	3.5
113.02425	3.6
137.02429	100.0
159.84969	0.6
195.06682	1.0
523.72906	0.7
617.28125	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	661.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27585	1.0
59.01375	100.0
69.91173	1.0
71.01363	14.2
73.02930	6.6
73.42258	1.0
85.02921	4.7
87.00841	1.2
88.88822	1.1
89.02441	2.4
92.19337	1.4
95.10054	1.1
96.95983	18.7
99.00803	1.3
101.02422	14.9
105.76311	1.2
113.02397	11.4
119.03492	2.3
119.05000	16.1
120.05373	1.2
159.03004	1.6
161.04521	15.1
163.03986	16.6
166.98082	1.4
239.51823	1.1
249.13464	24.6
251.22917	1.1
291.14481	39.9
316.80994	1.1
325.09213	6.6
555.04987	1.2
636.30365	1.2
662.04919	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	661.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96387	0.3
71.01409	0.4
77.86832	0.3
96.95988	0.5
108.02162	14.7
123.04507	18.2
130.58812	0.3
133.47809	0.4
137.18872	0.5
152.01138	19.5
167.03485	100.0
244.07851	0.4
317.07159	0.4
329.08789	23.5
490.87488	0.4
621.48706	0.4
621.59949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65084	0.4
59.01369	0.9
60.08912	0.4
60.60495	0.5
77.94160	0.6
78.95892	3.3
96.95995	100.0
96.96894	9.0
101.02432	0.6
139.09116	0.7
141.53062	0.5
292.29910	0.6
326.33423	0.5
342.39157	0.6
471.32629	0.6
500.40466	0.6
661.33539	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	661.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06625	1.0
57.29116	1.1
57.59134	1.1
59.01375	1.6
63.32223	1.1
70.25091	1.1
72.01081	1.2
82.21870	1.3
89.02448	2.0
96.95995	100.0
101.02437	1.6
130.12532	1.1
139.91403	1.1
171.92476	1.4
226.47574	1.5
284.03424	1.4
457.05774	1.4
471.35742	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	661.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98142	0.4
73.02911	0.5
77.54452	0.4
79.95736	1.5
95.76907	0.4
96.95993	100.0
104.80801	0.4
151.59576	0.4
183.02684	0.4
185.50623	0.4
353.06708	2.2
383.07803	1.7
563.14948	3.7
661.23303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12109	0.9
63.93796	1.1
66.84000	1.0
71.01368	18.7
73.49992	1.2
78.82184	1.1
88.04021	9.8
97.30948	1.2
114.99611	1.9
115.00354	31.8
119.04993	1.3
129.10306	6.1
132.03003	5.7
151.08749	15.4
155.08253	5.7
157.13449	5.2
162.05618	14.8
169.09818	1.1
170.64833	1.2
179.15469	1.2
180.06659	4.9
184.10843	1.5
186.12485	17.2
212.10336	4.5
214.12305	1.5
223.14474	2.6
249.15919	1.4
251.17545	1.6
268.20300	6.4
290.14984	1.3
292.16641	8.0
293.15216	2.0
297.19205	1.7
313.02460	1.3
318.14456	1.2
324.17752	1.9
361.07040	1.2
385.22821	1.5
387.16650	10.0
403.23627	2.2
430.22269	1.7
435.72543	1.2
544.34625	4.9
545.33655	9.8
660.36176	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	660.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89891	1.3
59.01380	100.0
80.81210	1.6
113.86135	2.0
116.92846	10.0
141.01694	77.0
166.51323	1.6
279.23288	9.1
383.07254	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	659.382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54506	1.6
52.65046	1.8
53.08641	1.9
56.76146	1.8
59.01377	55.3
61.42916	2.0
69.74331	2.6
71.01354	16.6
73.02937	2.5
78.98585	2.0
80.96511	12.8
85.02951	3.8
87.00890	2.3
89.02434	13.1
96.96001	3.4
97.02924	5.2
101.02423	18.9
112.96823	2.4
113.02428	10.5
119.03454	3.7
131.03453	3.6
161.04521	9.7
164.98608	3.6
179.05638	3.4
203.11911	3.6
221.06604	3.1
225.00755	12.7
226.12341	10.9
237.80923	2.1
240.13936	2.3
249.14934	15.6
256.15790	10.3
271.18024	15.4
300.14734	2.6
301.15579	3.4
315.17230	19.2
317.21140	5.0
353.53574	2.7
487.77347	2.5
492.19894	2.5
599.36041	50.6
615.26471	13.4
659.33105	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	660.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90461	0.6
58.10218	0.7
59.01384	0.9
61.98827	100.0
73.02908	0.7
77.99749	0.6
85.74545	0.7
89.45309	0.7
92.19904	1.0
97.92845	0.7
150.30174	0.7
160.93468	0.7
165.05551	1.3
175.23045	0.8
200.96428	0.9
202.58453	0.8
224.06874	3.2
225.07710	8.8
239.09195	4.4
357.39474	0.8
435.16635	6.2
439.34219	0.9
572.60443	0.9
597.22211	8.9
602.64581	0.8
616.26868	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	659.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18307	1.6
50.92813	1.7
53.28856	1.7
58.15969	1.6
59.01377	84.1
61.98819	4.2
71.01355	2.4
73.02911	3.3
75.00860	2.3
80.96510	7.6
85.02951	2.6
92.19978	3.3
93.63564	1.9
96.95975	8.7
97.02932	10.7
101.02415	3.3
110.37258	1.7
125.06077	2.2
158.04846	1.7
164.98628	2.9
187.08751	2.2
201.10304	3.3
203.11929	15.9
212.10898	2.4
213.11699	2.2
217.13441	2.6
224.10898	2.6
225.00752	13.3
226.12379	15.7
226.43954	2.6
240.14035	2.9
241.13481	4.0
254.14215	2.1
255.14996	4.1
256.04721	1.9
256.15814	26.6
269.16611	3.8
271.18188	32.2
285.68497	1.9
297.16055	3.5
300.14865	3.7
301.15604	7.2
315.17188	41.3
365.96027	1.8
384.17004	2.0
584.33490	7.7
585.34558	3.4
599.36078	100.0
615.26221	3.1
659.33356	35.2
666.05817	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	659.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12928	1.2
59.01378	83.9
71.01379	2.4
73.02952	1.6
80.96497	6.9
97.02924	8.7
99.04478	2.1
104.12543	1.4
113.02414	1.8
117.46532	1.5
121.73032	1.5
141.33217	1.7
152.98654	2.1
181.67760	1.5
198.09254	2.5
201.10236	1.8
203.11858	14.2
213.11606	2.5
217.13451	3.5
225.00734	7.6
225.11520	1.5
226.12437	12.0
228.13847	1.7
238.12390	1.9
240.06567	1.6
241.13448	3.4
249.14989	2.7
253.11095	1.9
255.14981	2.6
256.15805	22.6
257.16751	2.7
269.16525	3.1
271.18185	25.6
297.16068	2.5
300.14709	3.2
301.15625	6.3
315.17163	29.3
335.22250	3.4
393.70169	1.8
420.22150	1.5
585.34363	6.9
592.27496	1.6
599.36090	100.0
615.26575	2.0
659.33026	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83831	1.7
59.01376	79.8
63.31561	1.9
63.51529	2.6
71.01356	4.0
73.02941	5.4
79.95731	3.2
80.96503	25.3
85.02933	3.0
87.00891	3.0
92.19978	2.9
94.98056	3.6
97.02924	12.7
101.02436	4.9
112.07233	2.3
134.40901	2.4
152.98645	4.2
164.98575	13.5
169.32774	2.4
201.10359	4.4
203.11861	12.0
212.10539	2.8
215.05238	2.7
217.13445	3.8
225.00719	26.3
226.12355	13.1
233.82986	2.7
240.13846	2.3
241.13391	4.2
256.15717	22.9
271.18094	24.9
297.15988	2.8
300.14682	4.1
301.15775	3.0
315.17044	31.5
568.45386	2.5
584.32977	2.8
585.34076	3.1
599.36023	94.6
659.33154	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	659.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
63.53936	1.0
91.95525	1.0
95.48415	1.0
137.62939	1.0
189.78589	1.2
225.33180	1.2
296.13736	1.0
299.50308	1.2
363.62579	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	659.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.7
71.01376	6.8
73.02909	1.7
79.95753	1.4
80.96508	24.8
89.02417	3.0
94.98068	3.4
101.02431	3.1
103.25520	1.4
113.02423	1.9
113.82977	1.5
125.02419	2.8
148.99164	2.0
152.98631	6.3
164.98613	11.8
221.06732	2.2
224.98767	2.5
225.00737	32.8
476.94534	1.4
491.71329	1.5
646.86176	1.5
659.33252	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	659.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	36.3
60.78327	1.9
61.98820	3.3
71.01369	29.5
73.02945	14.3
75.00842	2.3
80.12024	2.3
80.96520	3.2
85.02939	18.5
86.02104	2.1
87.00889	2.9
89.02420	15.8
89.24762	2.8
90.32294	2.1
92.19903	4.5
95.01324	2.6
101.02446	40.4
113.02470	19.7
119.03461	3.8
156.60179	2.5
161.04565	9.8
163.72868	2.1
299.69061	2.5
335.22534	3.8
356.38565	2.2
370.58945	2.3
549.36273	2.4
615.26276	25.8
615.34583	3.0
659.32874	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	659.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.5
71.01378	18.6
72.59980	1.7
75.00850	3.0
78.95904	3.9
83.01362	2.6
85.02935	7.3
88.68831	1.8
89.02436	13.4
101.02419	24.5
113.02467	13.6
119.03446	2.3
120.65640	1.6
128.65863	1.9
131.03458	2.4
152.99594	3.3
161.04533	7.6
164.98564	2.1
171.10312	7.7
225.14912	3.0
231.91170	2.0
241.01138	2.4
275.20160	3.8
317.21350	10.7
335.22244	28.4
343.25320	3.5
393.66272	2.0
497.27567	33.9
536.20099	2.1
615.26611	14.9
659.32770	100.0
667.85559	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	659.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01213	3.4
53.05424	3.6
57.54179	4.0
58.12672	3.3
59.01382	60.3
61.98835	4.2
71.01379	46.8
73.02931	15.6
85.02941	21.2
89.02409	27.1
94.98112	4.4
96.95990	20.2
98.98563	3.5
101.02425	50.3
113.02425	28.3
113.07718	4.2
119.03527	7.4
143.03477	3.8
161.04564	9.4
249.14882	7.5
264.18973	4.0
326.97220	3.8
522.35321	3.9
554.30573	4.9
596.22778	7.0
615.26520	100.0
659.32642	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12608	2.8
59.01375	37.0
62.90286	2.8
71.01364	31.2
73.02939	6.0
82.04841	3.1
85.02928	17.1
88.98789	3.7
89.02434	29.7
95.01390	4.0
97.37016	4.2
101.02430	43.1
109.73843	3.8
113.02423	15.6
119.03470	4.9
129.26265	3.1
131.03464	3.9
140.17514	3.4
161.04527	14.3
175.64537	4.1
415.56290	3.9
423.60056	4.7
599.25635	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	659.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64748	1.3
57.03450	2.7
59.01377	31.5
61.98829	30.5
64.66190	1.2
71.01368	17.3
72.99307	1.7
73.02947	3.2
75.00867	31.7
80.01156	1.4
81.99355	1.2
83.01392	2.1
84.00648	1.3
85.02930	33.0
87.00865	7.5
89.02425	6.4
95.01330	1.5
96.96010	1.4
99.00866	8.5
101.02423	10.8
106.01238	1.2
113.02438	33.6
115.00352	2.0
125.02486	1.7
126.50883	1.6
180.47670	1.4
191.14404	1.5
235.13329	5.7
351.52432	1.6
434.44299	1.4
615.26672	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	659.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80923	2.8
51.99451	3.1
54.83423	3.1
55.34866	3.6
57.03434	4.2
59.01376	34.0
63.96207	3.2
65.02084	3.7
65.23987	3.8
71.01361	27.9
73.02929	7.7
76.28924	3.1
76.90863	3.1
78.05017	3.5
85.02955	5.8
85.93766	3.5
89.02434	15.2
101.02441	41.7
101.73392	3.2
113.02430	16.5
120.50731	3.4
125.02367	5.3
161.04587	4.4
176.21930	3.7
204.43991	3.4
249.14908	8.5
259.70309	3.5
366.23822	3.4
387.74460	3.8
590.47827	4.5
615.26636	100.0
659.32629	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	659.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27462	3.0
57.03431	4.9
59.01378	100.0
66.55085	2.8
71.01373	5.4
83.01398	3.2
85.02939	42.9
86.99455	2.8
101.02440	4.1
111.00842	13.6
112.14104	3.1
129.01926	16.3
161.04439	2.9
165.01904	4.2
179.03532	5.0
180.04326	21.4
194.05830	7.4
195.06618	42.3
205.03513	13.9
210.05365	6.0
211.09772	4.9
212.06845	4.7
223.04570	19.3
223.72357	3.2
225.07677	15.1
227.09235	13.8
359.11386	6.6
369.08206	27.8
374.13693	15.8
389.16040	23.1
437.18179	93.1
451.47247	3.2
615.23938	3.3
678.55292	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	659.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56693	2.1
55.38331	2.1
58.12080	2.1
59.01381	100.0
71.01375	70.0
73.02930	17.0
83.01403	5.0
85.02934	22.5
87.00860	13.2
89.02435	64.1
95.01380	3.0
96.95983	10.1
101.02428	72.2
113.02430	45.2
119.03481	18.2
131.03464	25.0
143.03450	4.4
150.65863	2.5
159.02997	4.9
161.04558	43.4
179.05597	45.1
221.06630	43.3
231.13841	14.5
249.14772	3.6
258.75244	2.6
263.07687	39.3
301.04956	2.8
588.50146	3.1
615.26587	67.0
659.32556	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	659.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77859	0.6
53.99383	0.8
54.18381	0.7
55.67483	0.7
57.72131	0.7
59.01361	1.5
61.98825	1.3
69.09687	0.7
70.38348	0.7
73.35513	0.7
85.02920	0.9
93.03440	32.0
96.95990	1.7
137.02429	100.0
186.95459	0.8
203.08138	1.2
423.69675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.0
59.01375	87.1
59.88492	3.0
60.80707	3.1
69.03433	4.5
71.01375	68.0
73.02933	25.8
83.01379	4.3
85.02932	36.9
87.00867	11.9
89.02422	49.3
95.01380	4.4
97.02937	5.9
97.33679	2.9
99.00864	15.2
101.02428	100.0
111.00861	3.3
113.02430	44.3
119.03468	18.5
125.02451	26.5
131.03433	6.0
143.03488	6.2
155.03441	3.8
159.03014	4.1
161.04515	27.2
172.50806	3.0
179.05562	3.2
205.91437	2.8
207.61967	3.2
245.06471	3.9
249.13368	6.5
263.07678	3.0
291.14615	3.4
411.18701	4.7
433.18839	3.3
555.15009	4.1
555.23041	91.8
573.23999	74.9
615.25171	72.8
615.35052	4.1
659.27710	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	659.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36295	1.2
55.56978	1.6
56.23961	1.5
58.23302	1.5
59.01377	12.4
68.99813	2.6
71.01379	9.8
75.00863	10.2
80.92000	1.7
82.48438	1.5
85.02930	11.5
88.57249	2.0
89.02422	3.9
99.00859	2.4
101.02435	3.1
113.02435	14.3
125.02427	2.4
138.03159	3.5
139.03995	2.7
149.02345	2.6
153.01926	6.8
153.05568	17.8
164.04614	2.0
168.04204	2.4
176.01086	10.0
177.01907	3.1
178.02719	2.6
179.03506	2.2
180.04297	2.3
188.04758	2.3
189.05580	17.7
191.03476	24.1
192.04321	6.6
193.01433	11.0
193.05048	19.4
195.06694	1.9
207.06656	42.1
208.03769	24.6
209.04568	3.7
219.06470	1.8
223.06131	31.3
326.07855	2.3
329.86020	1.8
341.10275	3.1
356.08838	2.0
371.11307	9.4
372.12070	8.0
611.21362	100.0
615.26642	46.0
659.24115	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	659.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67507	0.8
59.01375	100.0
60.11220	0.8
64.01499	0.9
71.01368	15.0
73.02936	17.8
76.78125	0.9
78.50905	1.1
78.88705	0.9
83.01372	2.1
83.77705	0.9
85.02924	2.2
85.60933	0.8
89.02428	16.9
101.02414	23.5
113.02439	12.2
119.03466	5.5
119.05000	20.8
131.03491	1.2
143.03477	1.6
149.04506	1.8
161.04550	11.9
163.04008	21.3
164.04784	1.4
179.05692	1.6
179.07112	16.5
221.06625	7.2
221.70245	0.9
227.09319	1.1
247.11835	7.5
289.12921	20.3
325.09290	4.3
385.97198	1.2
399.71555	1.0
437.18042	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	659.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67500	0.3
61.42926	0.3
66.10419	0.3
80.16387	0.3
82.97031	0.3
96.95984	0.4
105.07916	0.3
106.83820	0.3
108.02159	12.6
120.99643	0.7
123.04500	19.8
134.44858	0.3
151.99902	0.8
152.01140	21.4
167.03479	100.0
170.21536	0.3
208.02812	0.4
212.33437	0.3
243.79820	0.4
321.33566	0.4
329.08786	23.7
341.15967	0.4
510.78961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83658	1.0
56.36200	1.2
59.01374	1.3
71.86514	1.2
77.46197	1.1
87.00850	14.1
96.95988	2.3
120.64661	1.3
123.04500	57.4
149.06058	10.3
152.01085	2.3
165.05563	15.8
167.03476	33.5
193.05034	15.1
195.02972	19.2
209.16272	1.6
219.03122	2.0
255.05087	100.0
259.10764	1.6
280.58743	1.6
426.51559	1.6
603.02887	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	659.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24316	0.3
56.48039	0.3
61.11903	0.3
61.66858	0.4
71.01361	0.5
72.55590	0.4
76.73690	0.4
80.96492	5.6
92.42519	0.4
94.98059	2.0
101.02435	0.5
120.99619	1.6
122.97611	0.6
125.02417	0.7
134.97562	0.4
148.99077	0.5
152.98627	0.8
164.98611	2.5
167.18790	0.4
206.99660	0.7
225.00731	11.2
233.64270	0.4
317.05457	100.0
584.22211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45496	1.8
59.01377	100.0
61.28649	2.2
69.88339	2.4
84.01044	2.6
90.41184	2.2
101.57314	2.8
141.01691	66.2
155.26010	2.5
161.24757	2.7
175.37685	2.4
187.67767	2.8
209.16016	2.3
223.28368	2.7
271.59747	2.6
393.72061	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	658.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27527	0.4
55.86117	0.4
59.01372	0.4
61.98829	100.0
66.68217	0.4
71.01380	0.6
94.04534	0.4
98.09959	0.5
101.02450	0.5
104.91126	0.5
164.04831	0.7
208.03795	2.2
223.06140	5.9
238.22765	0.5
433.15002	2.2
595.20520	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	658.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81398	0.3
52.01505	0.3
56.10383	0.4
61.98830	100.0
66.93125	0.3
93.39828	0.4
95.05305	0.4
96.96017	1.6
122.60332	0.4
179.68616	0.4
464.81680	0.4
495.20947	0.5
527.10614	0.4
658.24677	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	658.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13879	5.2
53.60631	4.8
59.01376	22.4
59.37880	4.4
71.48309	4.8
87.00880	9.7
94.17419	5.3
107.01836	4.9
120.48167	5.7
209.33673	8.2
274.13177	5.8
328.20520	6.3
346.21747	42.7
436.38110	5.7
469.89664	6.4
478.22321	26.2
514.30798	5.8
658.28540	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	657.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44421	4.8
59.01370	5.9
65.57150	5.2
96.95975	26.9
166.02718	27.8
181.05034	88.0
245.41475	5.4
327.08603	25.9
342.11105	71.2
357.13364	100.0
387.10547	6.6
405.15640	57.0
405.20087	7.4
435.16562	68.1
511.31091	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	657.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84165	9.8
52.46735	9.5
59.01366	10.7
60.99158	9.5
67.49269	9.2
76.06802	8.4
80.01466	9.8
86.55145	9.0
95.34538	9.3
104.21119	9.3
112.44977	11.1
136.17709	11.9
138.14375	9.9
141.31009	9.5
150.03163	80.6
165.05565	100.0
195.06635	20.4
281.19095	10.4
336.28711	11.6
369.13315	13.6
452.71106	12.4
565.20929	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	657.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.4
60.34043	1.1
63.73125	1.3
66.02215	1.4
66.71643	1.3
75.31535	1.3
75.46392	1.4
76.27850	1.1
78.40922	1.3
92.19305	1.6
96.95991	1.7
145.06810	1.4
149.48865	1.6
151.00430	1.8
164.55577	1.4
166.02693	32.9
167.03488	1.9
181.05070	71.9
190.06308	6.0
193.04999	2.1
193.08621	1.5
205.08640	3.3
208.07343	12.1
222.09000	2.7
223.09756	9.3
312.06345	2.8
327.08722	31.5
331.45776	1.4
342.11063	83.5
357.13446	100.0
363.95502	1.4
375.14392	12.4
405.15503	61.8
417.15424	5.4
435.16583	43.0
567.20782	21.0
597.22034	2.1
648.56372	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	657.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61633	1.6
57.36155	1.6
59.01380	56.5
63.50707	1.5
68.82897	1.5
87.00832	6.1
89.02420	2.6
92.60651	1.7
121.06613	2.1
165.01903	11.0
165.05544	7.8
176.04750	2.5
179.03487	2.7
180.04254	40.0
194.05852	14.3
195.06630	100.0
209.08165	18.2
209.67523	1.8
210.05354	16.5
225.07674	67.7
240.14511	1.9
323.89746	2.1
430.25766	2.0
435.16611	50.3
470.53052	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	657.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.0
66.64037	2.0
85.02928	2.4
86.28194	2.6
97.29858	1.8
105.94506	2.1
111.14170	2.3
111.87797	2.3
161.87970	2.3
166.02702	16.3
181.05058	46.7
190.06329	3.3
205.08673	3.4
208.07448	2.9
216.13162	2.2
326.42743	2.6
327.08649	25.8
342.11075	80.5
357.09061	3.8
357.13440	100.0
375.14569	2.9
405.15585	38.4
435.16614	65.9
579.07422	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	657.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34571	5.3
59.01382	88.6
67.89242	6.2
71.01373	96.8
73.02928	23.8
85.02944	23.6
87.00898	6.1
89.02432	72.9
95.01412	5.5
96.95966	7.0
97.02943	6.0
99.00857	7.6
101.02428	100.0
105.24231	5.0
113.02450	45.9
116.92921	7.1
119.03495	27.6
125.02431	25.9
131.03464	9.8
137.65971	5.1
143.03525	9.7
161.04562	35.6
173.47720	6.7
179.05646	11.4
221.06552	9.3
236.05547	5.6
263.07648	6.0
404.27060	7.1
553.21313	84.7
571.22150	59.8
605.92950	6.3
613.23523	53.5
657.29431	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	657.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00366	2.1
62.69906	1.9
68.99815	4.1
77.22865	2.1
89.41937	2.4
129.35739	1.9
135.04579	2.6
138.03146	3.7
139.00417	2.8
139.04012	3.5
153.01886	11.8
153.05518	10.8
166.02657	10.5
176.01134	3.1
181.05074	17.1
191.03433	9.7
192.04283	15.9
193.01422	3.5
193.05061	10.2
194.02202	4.1
199.67976	3.0
203.03500	9.0
207.06628	34.9
208.03717	11.8
209.04512	3.3
218.05867	16.9
219.06548	2.9
223.06032	19.9
236.07011	2.9
258.88715	2.2
357.09805	3.2
372.12283	3.5
373.13174	2.6
387.10822	3.4
417.11896	5.6
432.14120	14.1
657.10681	3.8
657.21942	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	657.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
59.75444	0.6
72.86504	0.6
79.57655	0.5
82.12955	0.5
93.03434	32.6
96.95979	0.9
107.54966	0.6
109.76284	0.6
122.81024	0.6
126.81542	0.6
137.02428	100.0
195.06595	0.9
225.07660	0.9
255.65121	0.6
263.19382	0.7
309.81201	0.7
397.14871	0.8
432.07260	0.6
505.16254	0.6
510.06839	0.7
612.65759	0.6
657.30292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51136	8.3
60.65413	8.2
72.58365	14.2
76.71016	10.1
80.96494	13.3
91.32473	11.0
96.95990	12.5
111.26768	10.8
148.30739	11.2
154.25768	10.2
166.02748	15.9
175.55066	11.2
181.05019	47.9
192.04388	11.1
193.01559	13.5
203.03439	24.5
207.06606	22.8
208.03664	15.0
218.05827	48.4
223.06120	33.4
225.00720	20.0
233.08070	16.2
243.51579	10.0
405.12149	15.9
435.69998	10.2
639.20862	71.7
657.21631	56.1
657.31622	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	657.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.8
60.53325	0.8
61.32207	0.7
71.01363	4.3
72.99257	0.9
73.02923	3.1
75.00861	1.5
80.02382	0.7
85.02931	4.3
87.00828	1.0
89.05701	0.7
91.12379	0.9
96.96011	1.7
98.81605	0.8
99.00831	1.1
113.02433	6.1
132.22107	1.1
133.06583	1.9
147.11809	1.2
155.08604	1.3
161.09619	1.0
166.31425	0.8
171.08154	0.9
171.11703	1.6
173.09680	10.4
174.10468	19.0
187.11270	6.7
189.12848	100.0
225.98239	1.1
233.11812	64.6
246.23387	0.8
282.58160	0.9
311.53900	1.0
378.68900	0.8
379.08795	3.1
529.72876	1.0
575.26807	2.1
613.21295	37.1
657.32013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	0.9
82.39568	0.8
85.02956	0.8
108.02151	23.5
109.02930	16.4
113.02432	0.9
121.02915	1.0
123.04510	0.9
151.04056	1.1
152.01135	54.7
153.01921	30.0
154.35207	0.8
161.02415	7.4
163.04013	1.2
165.01921	1.3
179.03424	4.6
230.05353	0.7
291.58466	0.7
291.96353	0.7
315.07214	100.0
341.08704	9.5
406.54660	0.8
535.51630	0.6
669.06421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57023	0.7
62.12903	0.6
71.01371	0.9
92.63525	0.7
108.02137	16.9
109.02939	15.0
115.00402	1.1
121.02986	1.0
133.01372	3.9
151.03941	1.3
152.01135	49.4
153.01920	37.6
163.03969	1.7
165.01895	1.2
182.69388	0.8
217.83813	0.7
244.91327	0.9
315.07227	100.0
352.60229	0.8
406.69986	0.8
463.67587	0.8
672.59222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99583	3.5
59.01373	3.7
62.15965	3.9
63.18486	3.6
68.90555	3.8
78.95884	22.8
89.96032	4.3
121.02973	4.4
145.11705	4.7
184.71573	5.4
194.18951	4.6
234.02234	4.9
656.24689	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	657.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32583	0.9
56.53284	1.1
59.52431	0.8
62.22343	0.8
63.68494	0.7
65.06258	0.8
67.42955	0.8
71.01383	1.1
87.91679	1.0
101.02396	1.4
108.02140	27.5
109.02936	16.0
125.13308	1.0
131.26036	0.9
131.45695	0.9
135.04506	11.2
151.04037	1.2
152.01146	58.1
153.01923	32.8
158.79875	1.1
161.02428	54.9
161.04477	1.6
163.03911	1.3
165.01901	1.7
179.03479	25.0
179.05548	3.7
186.25882	1.3
293.32370	1.4
315.07227	100.0
341.08768	55.4
411.06796	1.0
538.30017	1.1
551.96399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
75.28071	1.8
114.36419	2.2
135.88849	2.2
141.01700	60.8
496.13696	2.0
604.32916	2.2
657.31787	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	655.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89773	1.4
58.32598	1.6
59.01378	87.4
59.20007	1.4
61.98841	4.1
71.01376	27.5
73.02936	11.0
79.48047	1.8
83.01369	3.8
84.29743	1.7
85.02930	10.0
87.00861	70.6
89.01949	3.1
89.02429	36.0
92.19473	2.1
98.87080	2.0
101.02428	81.5
113.02437	26.2
119.03477	13.0
121.16789	1.9
125.02423	4.5
143.03494	17.1
161.04462	6.9
179.05653	3.1
253.21732	32.4
271.22757	14.2
287.80276	1.9
323.09827	100.0
341.10870	19.0
383.11954	87.6
441.78992	2.1
577.32336	34.3
655.38519	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	655.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14104	0.7
58.41561	0.7
59.01377	100.0
63.70676	0.7
66.34521	0.7
69.02765	0.7
83.57326	0.7
91.60662	0.7
92.19952	1.2
113.02430	1.5
141.01692	58.6
287.35623	1.0
369.15271	0.8
655.29718	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	655.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41568	1.9
59.01379	100.0
65.41084	1.8
70.49833	1.7
71.01382	2.7
75.07242	2.0
78.23332	2.2
116.92884	3.1
122.75491	2.1
128.17964	2.1
141.01695	60.3
160.29887	2.3
168.28410	2.2
176.01996	2.2
176.79099	2.2
201.48558	2.5
256.23672	3.2
264.56149	2.3
277.21692	3.1
387.24100	2.2
398.13766	2.8
399.14163	3.2
426.45877	2.5
470.63177	2.6
487.28555	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	655.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31897	3.2
59.01378	100.0
61.88411	2.9
63.55595	2.5
68.70565	3.1
70.64108	2.7
71.47444	2.6
115.92107	3.8
116.92803	4.2
141.01718	57.1
159.71527	3.2
213.18983	3.8
275.57288	3.7
412.86002	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	655.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84486	1.5
59.01378	36.0
59.33399	1.4
59.51036	1.4
64.16881	1.3
71.01368	18.0
73.02932	9.2
77.27355	1.5
78.15056	1.6
80.05387	1.4
83.01369	2.9
85.02948	7.4
87.00906	1.9
89.02422	12.4
97.02953	1.8
99.00858	2.8
101.02440	21.2
112.01619	1.5
113.02445	12.2
119.03468	2.8
129.86627	1.4
131.03505	1.9
139.00366	3.4
160.45444	1.8
161.04538	3.5
165.05556	3.2
166.02695	2.9
170.03760	1.8
197.04520	2.6
221.06706	2.2
222.04945	1.5
227.16505	2.9
245.17633	6.5
300.44400	1.8
331.11826	8.6
389.21866	28.8
407.22806	11.2
448.48013	1.7
449.23743	1.6
484.66739	1.6
611.29321	100.0
655.29443	2.9
678.40680	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	655.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64844	0.8
51.79173	0.9
59.01377	8.1
62.12054	0.8
71.01378	4.9
73.02929	0.9
85.02925	1.0
87.00856	8.3
89.02422	6.2
92.94186	1.0
101.02444	10.0
113.02429	2.2
117.74326	0.9
119.03432	1.8
131.03531	0.9
144.77560	1.1
153.43597	0.8
171.09268	48.7
173.10806	8.6
175.11568	0.9
182.99481	1.0
212.13194	7.1
227.15508	11.3
271.14542	100.0
323.09818	12.8
341.10797	4.1
595.25189	22.5
655.27417	1.9
662.04974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16720	1.6
55.02149	1.6
59.01374	11.6
71.01372	8.3
71.94605	1.4
73.02937	2.5
73.86369	1.7
76.29760	1.6
80.52451	1.6
81.81783	1.6
82.74069	1.6
85.02925	1.5
87.00858	20.8
89.02412	12.2
97.02932	12.9
99.04567	1.8
101.02426	20.4
113.02408	6.8
119.03465	7.0
142.06602	10.8
143.03499	2.4
161.04546	2.4
163.56161	1.7
168.08073	2.2
169.08891	3.5
170.09740	10.1
173.10818	100.0
176.25946	1.7
179.05603	2.5
184.11275	3.4
189.35512	1.8
189.57135	1.9
227.15529	84.9
271.14526	92.0
323.09879	31.8
324.84171	1.6
341.10934	3.7
595.25140	73.6
655.27484	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	655.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67586	4.3
54.57226	4.3
59.01374	100.0
59.09828	4.8
165.05544	9.7
174.99995	6.4
195.61206	5.4
267.08978	6.8
295.61169	5.8
404.13135	5.2
502.05786	5.7
655.23785	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	655.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88104	0.8
59.01380	17.9
71.01385	7.4
73.02923	2.1
75.01219	1.0
85.02953	1.5
87.00875	2.5
89.02444	7.4
89.90551	1.0
92.20020	1.3
94.50004	1.0
101.02414	14.6
108.26278	1.3
113.02441	4.8
119.03464	2.1
125.02406	1.2
165.12848	18.1
166.06325	2.6
181.08701	1.7
183.13884	70.8
187.03981	1.1
199.13405	21.9
227.12837	17.7
235.07286	1.2
245.13908	43.2
251.12769	1.1
287.15097	4.4
347.17050	1.3
353.79547	1.1
468.12860	1.1
551.23267	2.1
569.24438	6.9
611.25598	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	655.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74607	0.6
55.31251	0.6
56.25884	0.7
56.40582	0.8
59.01369	5.2
69.56046	0.7
71.01350	1.9
73.02943	0.9
85.02952	1.0
85.86388	0.9
86.71638	0.7
87.00851	8.2
89.02431	3.1
97.02924	4.4
101.02425	9.5
106.04211	1.0
108.02387	0.7
113.02464	1.7
113.03257	0.7
119.03468	1.0
121.06574	40.0
142.06641	3.3
147.04530	6.7
165.05548	100.0
170.09712	3.5
173.10811	34.7
179.05429	1.0
227.15540	31.5
240.32574	0.8
271.14502	31.0
287.46954	0.9
322.63089	0.8
323.09772	10.5
327.10849	44.5
341.11035	1.2
595.25116	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	655.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42759	0.5
54.04257	0.5
65.37981	0.5
67.79611	0.5
86.33796	0.5
86.65751	0.5
87.00861	10.5
96.95995	20.1
111.04475	0.7
121.56139	0.6
122.15437	0.6
135.04498	3.8
243.05074	3.1
249.12440	100.0
292.14798	0.5
332.40582	0.7
411.17734	31.3
492.82672	0.6
513.18073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76474	0.3
61.16260	0.4
69.82207	0.5
87.00865	20.3
94.81628	0.4
95.55470	0.5
95.86051	0.4
111.04512	2.0
135.04471	3.1
137.02441	0.7
148.76193	0.4
155.74181	0.5
243.05116	3.8
249.12436	100.0
379.20572	0.5
411.17740	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92055	2.3
59.01371	100.0
61.29195	2.7
66.73447	2.5
69.12407	2.5
71.01376	38.6
73.02930	89.0
82.97287	3.0
83.01372	11.8
85.02946	5.8
89.02428	12.5
95.01363	3.2
101.02425	60.2
107.05063	3.7
113.02445	25.9
119.03490	3.4
126.81777	3.4
135.50107	3.0
143.03470	3.5
149.04517	12.1
150.03200	15.8
161.04578	19.3
162.03264	29.4
162.04431	3.5
162.05023	2.9
165.05586	22.8
175.05156	3.4
177.05551	19.5
195.06607	4.2
196.07368	15.1
221.06602	7.4
223.05809	3.0
244.09683	5.5
246.09914	4.0
265.85361	3.6
268.18549	3.7
411.08578	3.0
433.15182	4.3
488.19244	4.9
611.23993	17.4
641.03375	3.2
655.28906	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	655.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57410	3.2
52.23300	2.9
54.10817	4.0
59.01377	100.0
59.82944	2.8
62.20435	3.0
66.38046	3.6
71.01372	23.7
73.02940	74.8
76.83886	3.1
80.85584	3.3
83.01392	12.7
85.02945	5.9
89.02429	7.6
97.49720	3.4
101.02430	48.3
107.04980	7.9
113.02454	19.5
143.03592	5.2
149.04555	7.2
149.06010	4.7
150.03203	23.1
161.04590	23.8
162.03226	30.6
164.04866	4.2
165.05522	43.7
167.70125	3.5
177.05589	32.7
181.05038	3.5
182.02238	33.0
183.68472	3.3
195.06639	5.8
195.43343	3.8
196.07373	14.1
197.04568	43.6
207.06573	5.7
208.03697	4.4
209.08134	14.8
211.09708	5.3
221.06621	8.6
223.06195	7.0
225.07645	4.7
336.63168	3.3
359.14948	4.8
407.13513	5.5
422.58966	3.5
433.15067	31.7
503.19327	6.7
563.21442	5.4
611.21759	19.5
627.06061	4.0
655.22394	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	655.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95170	2.2
55.86097	2.5
59.01379	29.6
63.11441	2.7
71.01381	5.8
73.02957	2.9
75.31115	2.4
85.02929	4.1
86.03094	2.6
89.02450	2.7
101.02420	15.6
113.02427	11.4
125.02406	3.6
140.31352	2.5
149.02441	18.1
150.03188	30.1
161.04626	4.1
164.04800	23.4
165.05551	100.0
180.04312	5.8
182.02211	15.9
189.18275	2.8
195.06702	31.9
197.04565	22.5
228.87692	3.2
238.08571	5.8
253.10764	4.1
342.82571	3.0
359.14679	4.0
386.13647	29.5
401.16061	45.5
407.17218	3.3
449.18243	44.9
591.27484	2.8
595.25873	6.4
611.26648	3.8
613.26837	4.8
655.28503	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	655.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24471	0.6
51.30319	0.6
53.87151	0.6
57.34875	0.6
59.01376	1.4
65.74816	0.8
70.27562	0.8
77.20557	0.8
92.55154	0.7
101.02477	1.0
118.27115	0.8
123.00829	6.1
138.03207	10.6
139.00348	0.9
153.05577	8.7
165.05629	0.8
166.99837	10.2
176.68732	0.9
182.02199	100.0
197.04552	100.0
211.06084	2.8
241.26248	0.9
341.02975	0.9
353.55753	0.8
611.19983	23.7
611.29022	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	655.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
66.29697	0.6
66.89494	0.5
71.01331	0.6
73.02927	0.8
80.50229	0.5
91.92928	0.5
96.95998	2.2
101.02425	0.6
118.12717	0.6
123.00807	0.8
137.91458	0.6
138.03217	11.5
153.05551	13.0
166.99838	3.3
181.01329	0.7
182.02199	44.8
187.15593	0.6
196.03761	8.2
197.04550	100.0
211.06137	8.9
239.05626	4.5
360.44733	0.7
407.13486	17.9
433.15094	1.2
553.13361	0.6
611.19794	28.7
611.29340	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	654.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
63.84908	0.9
67.51444	1.1
70.75571	1.1
71.01379	1.2
89.11047	1.2
96.95996	1.4
102.05603	2.1
108.02167	8.8
123.04502	27.8
128.03516	33.5
132.73456	1.2
133.01430	1.5
146.04578	2.7
149.02368	2.6
150.03194	19.0
151.03990	19.2
152.01093	7.6
156.81966	1.3
164.04694	1.4
165.04224	2.4
165.05542	61.0
167.03487	41.2
178.05029	10.7
180.04237	4.7
181.05042	2.6
190.08768	1.4
192.06654	4.7
193.07327	1.5
195.06639	13.3
208.09639	1.5
218.04472	5.6
232.06013	2.1
234.07635	1.9
251.07970	1.7
252.08720	6.7
256.07507	1.9
271.09833	1.5
277.05981	1.7
294.10748	1.2
300.94510	1.0
315.08813	8.2
331.10913	1.3
363.10934	1.9
400.13931	1.4
439.45697	1.2
473.13504	1.3
492.15027	5.6
525.16248	4.2
654.20380	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	653.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	39.3
68.23622	1.7
69.03473	1.7
70.08989	1.9
71.01377	22.4
72.40119	1.6
73.02928	8.3
75.04914	1.8
81.95989	1.9
85.02945	2.3
86.13833	1.7
87.00846	4.4
89.02428	29.2
97.02970	4.5
101.02417	24.8
113.02423	11.3
119.03448	2.9
125.02415	8.0
179.05765	2.3
187.55547	2.0
226.69347	2.0
235.08221	8.8
255.23277	100.0
338.65140	1.8
397.13483	88.0
415.14600	20.0
465.16885	2.2
492.72549	2.1
653.37427	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	653.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73806	2.0
59.01368	4.5
81.49915	2.5
92.19321	3.1
114.74701	2.4
134.29930	2.6
148.03993	23.8
150.05565	10.6
151.81491	2.9
154.08739	2.7
154.67648	3.2
160.04079	3.1
161.04799	63.7
173.03555	3.3
175.05096	61.9
175.06453	4.7
176.05859	3.9
200.07030	3.2
201.09207	8.6
202.08722	12.5
203.04594	28.0
204.06691	3.1
216.06607	12.2
217.07466	2.3
231.07794	3.3
232.08452	16.8
233.09273	38.7
244.09830	100.0
245.09319	11.4
286.09583	4.5
287.10254	3.0
288.08862	4.3
305.11414	4.3
313.11960	2.7
356.12344	4.5
472.20651	5.1
472.65485	2.8
486.18887	82.2
551.94141	3.4
623.27405	31.1
653.28296	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30988	1.6
59.01378	37.2
61.91609	1.6
71.01380	23.0
73.02933	3.5
85.02934	2.5
87.00879	3.3
89.02436	23.7
96.61172	1.7
97.02951	3.4
99.00848	2.1
101.02431	24.3
111.03072	1.8
113.02430	10.7
119.03483	4.1
125.02422	7.5
161.04431	1.8
176.58609	1.9
179.05634	2.3
235.08240	4.0
251.39958	1.8
253.09366	2.0
255.23308	100.0
310.93665	2.1
367.91791	2.2
379.30728	1.9
397.13553	88.7
397.18710	3.1
415.14575	21.2
469.58420	1.8
653.37305	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	3.1
73.83009	3.2
88.74299	2.9
89.02417	3.9
100.94726	2.8
129.05565	3.1
130.98241	2.4
142.69917	2.9
148.04062	30.0
150.05630	13.9
154.08742	3.3
160.04019	3.8
161.04822	88.3
169.89963	2.8
175.05090	74.8
176.05844	3.3
180.06631	4.4
182.17728	3.1
190.07552	3.5
202.08705	13.7
203.04607	24.4
203.08307	2.9
216.06660	15.5
232.08470	31.6
233.09332	46.2
244.09828	100.0
245.06818	3.2
245.09230	6.7
286.09595	5.8
287.10464	11.5
288.08759	4.1
301.79755	3.1
305.11362	12.0
472.20880	5.6
486.18863	86.9
623.27252	39.4
653.28351	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24210	1.5
54.59142	1.5
54.74661	1.4
58.42338	1.7
67.05407	1.4
70.27731	1.4
82.03001	1.5
92.19953	2.0
106.06745	1.7
112.04063	1.6
129.05551	2.8
137.07234	2.0
138.09235	8.0
148.04024	22.3
150.05565	12.1
154.05107	2.0
154.08698	3.6
160.04002	2.1
161.04810	56.2
173.03508	1.9
174.04305	1.8
175.05095	55.5
176.05861	6.4
190.07404	2.1
191.08266	2.4
202.08832	13.9
203.04591	19.3
208.09827	1.8
215.08325	13.9
215.11838	2.1
216.06625	2.9
218.08202	1.8
226.08614	1.9
232.08479	20.2
233.09302	43.7
241.09805	6.9
243.11386	7.4
244.09839	69.1
245.09293	9.6
258.11401	2.1
286.09558	7.4
287.10388	7.1
288.08701	2.2
305.11472	6.6
356.12708	2.6
363.82477	1.9
380.19669	1.8
381.18262	2.1
424.18625	3.1
442.19604	3.2
472.21008	4.1
486.18799	73.1
565.38757	2.1
623.27277	32.7
653.28363	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	653.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63568	1.4
53.45647	1.3
59.01390	1.9
63.96223	2.7
68.40820	1.3
72.99305	2.0
79.72739	1.3
92.19305	1.6
112.08788	3.3
121.02955	5.8
123.04513	2.2
124.62782	1.4
127.05173	1.5
128.03542	1.7
129.10315	7.2
135.98331	6.7
137.06013	1.7
150.03224	2.9
153.05588	2.4
154.09871	6.2
163.03996	7.0
164.04781	1.3
165.05534	10.2
197.04556	3.4
223.06117	2.7
234.11293	2.7
236.07913	7.8
241.07204	6.3
249.12379	1.9
250.98364	1.3
251.14020	96.3
276.13538	77.7
277.08176	2.9
293.16226	100.0
341.90131	1.3
391.40250	1.7
403.12259	7.0
626.96985	1.5
653.22131	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	653.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76580	1.2
54.95232	1.3
55.25269	1.4
59.01370	6.7
75.00821	1.9
98.29561	1.6
101.02422	3.1
109.31530	1.5
119.76707	1.8
136.07660	2.9
138.09230	7.0
154.08713	12.2
161.07176	11.5
164.10739	9.1
173.07190	3.1
175.05124	2.5
180.06664	3.7
189.10336	7.9
201.10327	1.5
208.09808	8.0
215.08255	95.9
215.11821	13.3
233.09300	28.9
241.09810	40.8
243.11378	8.9
244.09683	2.5
245.09422	1.8
255.11378	15.8
258.11246	2.1
259.07156	3.0
259.10837	6.9
273.12668	2.6
285.08780	8.2
287.10675	2.0
303.09875	10.5
354.14673	1.9
355.03055	1.7
362.18921	3.3
380.19797	2.9
381.58569	1.6
410.21133	2.8
414.16653	20.5
424.18704	1.8
442.19962	2.0
446.11707	1.6
472.20642	2.0
484.17276	10.3
486.18704	1.8
653.28381	100.0
653.39380	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	653.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	93.4
67.06901	4.4
77.16829	4.6
92.21080	4.6
96.98215	4.8
128.64894	4.5
176.74341	4.8
191.03496	8.5
294.44699	4.5
325.07260	9.8
325.87640	5.9
327.08673	7.5
339.08939	10.5
340.09601	34.3
342.10922	5.6
355.11832	74.6
357.13559	5.3
466.26300	4.7
567.29462	6.5
653.22388	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	653.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	79.2
80.47226	6.1
89.08912	6.5
123.13994	5.5
151.03906	8.4
166.02757	6.0
181.05104	14.6
191.03499	9.0
192.04332	8.0
207.06607	24.2
240.22388	6.3
341.00906	7.2
386.13705	13.7
425.42389	6.7
653.22510	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	653.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05940	1.6
59.01380	37.4
69.40343	1.7
71.01383	2.6
73.02937	9.3
101.02415	4.0
113.02374	2.5
116.92834	2.1
130.08704	30.8
137.52217	1.8
149.06053	3.8
151.04025	3.7
165.05547	17.7
166.06339	32.5
179.07141	3.4
181.05171	1.8
181.08778	3.1
224.06854	7.8
225.07680	85.4
239.09212	6.9
267.66089	1.7
278.75128	2.0
326.19781	14.2
350.60132	1.8
385.12366	1.8
393.31332	2.1
473.45169	2.1
489.07083	2.2
504.12051	1.9
567.20514	2.7
609.21918	100.0
631.23053	2.1
653.28119	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	653.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62144	1.2
57.67966	1.2
59.01361	2.7
61.57829	1.2
81.89985	1.4
88.06618	1.4
89.02410	1.5
95.93242	1.4
96.95997	8.2
108.02145	3.4
123.04506	22.6
127.05125	21.5
128.03560	11.4
135.98398	3.0
136.87427	1.4
137.66376	1.5
142.69022	1.9
145.06203	11.7
148.04044	5.6
150.03218	26.1
150.05698	1.5
151.03995	5.2
153.03098	6.3
164.03505	10.5
164.04771	3.2
165.05547	68.2
166.05122	3.2
171.04089	1.9
178.05118	3.4
180.04323	6.2
192.06584	13.4
195.06650	6.7
218.04500	6.5
222.97388	1.6
236.08031	47.9
251.10353	34.3
276.07419	2.7
277.08347	20.8
295.09418	6.8
384.13425	2.0
399.15384	2.1
425.13800	6.5
473.15765	3.2
491.16708	13.7
653.22131	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	653.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38498	0.7
51.71884	0.7
57.03436	1.7
59.01381	19.7
59.25809	0.7
63.62067	0.6
63.94898	0.7
71.01379	18.4
72.99294	5.3
73.02930	3.4
75.00867	14.9
83.01381	1.9
85.02940	24.7
86.58719	0.9
87.00871	9.3
89.02430	9.5
93.03448	1.1
95.01369	4.6
96.96001	24.6
96.96940	1.2
97.02911	3.4
99.00874	10.0
101.02435	8.3
103.00351	4.0
113.02429	37.7
115.00356	3.6
117.01923	4.1
119.04992	1.9
129.01901	1.4
131.03458	4.3
139.71964	0.7
143.72861	0.8
147.08170	1.0
157.01392	1.0
168.55818	0.9
173.04556	7.4
173.05995	1.6
175.02489	3.7
193.03539	5.3
235.04617	6.6
237.09204	1.7
279.10287	5.0
285.07980	0.9
297.11328	59.4
315.12463	1.4
315.17422	0.9
351.14758	1.0
417.58813	0.9
477.17416	1.0
620.78894	0.9
653.20923	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	653.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
78.95902	0.5
79.95734	1.9
90.14339	0.5
96.95998	100.0
101.02482	0.5
105.32821	0.6
106.29453	0.6
120.99651	0.5
131.27429	0.5
138.54439	0.5
152.01160	0.7
167.03488	2.6
169.44083	0.5
195.06619	0.8
234.98985	0.5
266.56696	0.5
327.30426	0.5
334.97528	0.6
374.40979	0.6
434.57364	0.6
555.17053	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	653.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	1.0
59.01387	0.5
63.40312	0.5
71.01389	0.9
74.47348	0.4
75.65576	0.5
79.95752	1.8
89.02444	0.9
90.10208	0.5
92.19349	1.0
96.95995	100.0
101.02448	0.6
113.02467	1.2
116.92825	0.8
119.05057	0.5
155.11995	0.5
162.02325	0.9
165.05574	3.4
178.37769	0.5
182.02304	0.6
197.04549	2.7
215.13922	0.9
301.65903	0.5
374.26447	0.5
555.09845	0.6
555.17480	3.3
653.20135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57913	0.8
59.01378	31.2
71.01379	3.7
73.02942	9.4
84.51328	1.0
89.02425	4.1
96.24335	1.1
101.02438	5.2
113.02399	2.0
117.14440	1.0
131.55150	1.0
137.02379	1.1
139.00383	1.0
149.06071	6.8
151.03969	4.2
153.05545	2.4
154.02745	1.9
155.57378	1.1
164.04753	1.6
165.01913	4.1
165.05551	21.4
166.06332	35.9
179.03415	1.3
179.07133	2.4
181.05083	3.8
181.08652	5.1
183.92737	0.9
191.07451	0.9
209.04494	2.3
209.08244	1.1
224.06828	9.5
225.07680	84.8
239.09213	5.7
328.09662	1.0
337.95520	0.9
357.18433	0.9
549.19379	1.6
567.20837	4.8
609.21936	100.0
653.28235	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	652.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00633	0.4
69.84565	0.5
75.40665	0.4
135.04533	4.6
219.11139	0.5
240.78177	0.5
249.12440	100.0
294.33719	0.6
334.12552	0.5
334.70871	0.5
346.16025	0.5
347.33722	0.5
381.32056	0.5
411.17752	35.7
424.64285	0.5
622.43811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33303	1.2
58.02976	1.7
58.56841	1.3
59.01376	9.6
59.98520	3.1
65.82809	1.4
71.01376	11.5
73.02931	3.2
85.02924	6.2
96.95978	15.5
97.02940	31.7
98.03740	12.3
99.00816	1.5
101.02421	25.3
113.02416	5.6
130.06606	13.8
164.07201	2.0
172.07663	1.7
186.09248	2.2
200.07196	3.3
201.10309	7.5
201.34154	1.8
203.11830	2.3
206.08232	7.5
217.13434	17.3
223.74825	1.3
224.83669	1.5
226.12421	3.3
235.67155	1.3
255.15022	2.9
256.15790	10.0
271.18161	8.9
292.12057	12.9
300.14798	78.0
301.15543	2.6
315.17175	100.0
336.10941	75.0
336.14447	1.3
465.22733	1.5
608.99780	1.7
631.46051	1.5
637.26904	2.2
652.29059	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	651.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	36.6
60.76655	8.0
61.82930	7.2
61.98823	39.6
82.06538	8.3
114.31942	7.5
117.51956	8.4
138.09300	15.0
164.10828	13.1
229.09836	11.1
292.94235	9.9
301.11884	92.4
319.12842	11.2
362.18832	16.3
621.29169	57.8
651.30768	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	652.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43931	3.5
53.39940	4.3
55.38482	3.6
56.83824	4.2
59.01369	4.2
92.20023	5.1
109.02951	9.3
123.00846	20.3
123.04516	18.7
128.03520	56.3
130.41301	4.5
148.04013	26.0
167.03490	42.8
178.02657	6.6
178.05083	97.3
179.03561	6.1
179.05830	6.3
192.06660	24.7
193.05035	34.1
218.04651	37.1
232.06157	20.9
251.08075	9.4
277.05994	10.9
334.14117	5.1
354.54837	4.9
361.09164	20.7
415.07172	5.5
472.12589	33.8
490.13593	70.5
495.92526	4.9
652.18860	100.0
661.35730	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	651.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
121.02917	2.6
133.02942	53.5
134.03722	42.5
135.04512	13.8
137.02426	18.6
139.03998	3.4
142.90691	2.5
151.03954	3.3
160.01617	4.5
160.18777	2.7
161.02376	19.4
162.03250	5.1
177.01947	47.6
178.02686	44.0
179.03529	44.0
228.99335	2.8
283.13354	2.7
311.22284	23.4
326.39606	2.8
329.82712	2.4
340.08035	39.4
341.08667	17.7
427.24973	5.4
471.23734	14.3
533.90375	3.3
651.30286	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	651.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	9.8
64.97089	1.2
77.46007	1.2
82.58433	1.2
123.08149	26.2
125.09694	21.0
151.07632	28.7
151.08777	2.3
152.59560	1.2
169.08714	16.5
169.22318	1.1
171.10063	1.3
195.06606	5.2
213.07684	100.0
515.18164	1.3
591.26569	1.4
621.83563	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	651.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.5
61.74959	0.5
64.75231	0.6
71.01384	4.4
73.02936	2.9
83.01369	0.6
85.02953	1.4
89.02425	1.3
93.03436	18.4
96.95988	6.1
101.02442	4.8
108.91247	0.6
113.02428	3.9
137.02435	100.0
161.04570	0.9
167.03485	1.2
179.05453	0.6
189.39725	0.6
274.77359	0.7
297.09003	0.7
299.07733	25.7
492.28644	0.7
565.24567	1.0
607.26270	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	651.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24842	1.3
50.77889	1.3
52.52554	1.2
59.01374	19.7
62.50178	1.2
64.39787	1.3
66.24949	1.3
68.79564	1.4
71.01377	13.7
71.01695	1.4
71.38580	1.4
73.02943	1.8
85.02931	3.4
89.02420	16.0
96.95995	38.3
101.02409	10.5
109.35859	1.5
113.02421	14.7
119.03477	2.7
137.12837	1.4
139.70230	1.8
145.84312	1.5
161.04514	8.9
179.05678	10.3
221.06610	2.7
263.07742	7.2
285.16086	100.0
299.17667	2.4
327.17191	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	23.5
68.43748	0.8
71.01379	15.2
73.02939	4.2
75.00861	1.0
85.02921	6.6
87.00863	1.9
89.02432	19.8
90.73236	0.7
93.03443	3.8
96.95996	1.6
99.00842	1.3
101.02435	18.0
113.02437	21.0
119.03475	9.0
125.02460	1.6
131.03502	4.4
143.03450	2.8
161.04524	10.2
177.33801	0.7
179.05606	16.6
200.14517	0.9
211.07645	6.6
213.13997	1.2
221.06628	5.9
223.07640	5.8
233.94107	0.7
254.05782	1.2
255.06639	20.3
263.07715	6.1
267.06674	18.3
285.16089	100.0
299.17722	1.8
327.17145	4.2
357.18225	4.4
365.26929	0.8
392.96719	0.7
489.22491	3.6
591.26666	1.0
633.18573	1.0
651.19403	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	651.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53358	2.5
57.00791	2.8
59.01375	13.6
75.21658	3.1
87.00903	3.2
88.83512	3.7
89.02441	6.2
101.02410	5.0
113.02411	5.2
120.63046	3.4
129.05548	7.1
134.03706	7.5
148.04002	31.4
150.05557	7.4
160.04025	4.6
161.04823	56.8
162.05574	3.4
167.76337	3.0
174.05618	4.1
175.05087	45.4
176.05910	3.7
178.02748	4.4
190.07407	4.4
191.08307	5.6
193.04999	5.1
202.08832	12.3
203.08261	5.6
204.06685	3.8
207.06523	3.6
215.08307	4.7
216.06618	16.2
216.10184	3.6
217.06189	39.0
229.06152	5.7
231.07645	4.5
232.08508	14.4
233.09354	26.5
241.09827	3.5
244.09802	100.0
245.09285	17.7
255.11444	3.3
275.10492	4.8
284.21286	3.7
287.10190	5.0
288.08957	5.1
305.11047	3.5
347.12503	81.7
484.16263	5.9
484.21313	14.4
514.22150	35.8
607.20056	14.2
621.25629	12.5
625.75208	3.3
651.26251	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2677
Annotation	Saludimerine B
Peak:m/z	Relative Intensity
54.02404	2.0
59.01366	4.9
69.98985	2.3
85.02969	3.4
86.30386	2.4
92.19386	2.7
101.02433	3.6
129.05544	3.2
141.61093	2.9
145.02866	2.7
148.04044	28.6
150.05563	11.9
160.04021	4.5
161.04811	59.0
162.05533	3.0
174.05624	10.0
175.05151	31.7
176.05818	2.6
176.82468	2.6
190.07433	2.9
191.05858	3.6
202.08736	14.3
216.06662	12.6
217.06149	55.6
218.07001	3.1
232.08539	12.6
233.09273	33.5
244.09789	87.3
245.06999	3.8
245.09317	12.5
275.10266	5.8
287.10486	5.8
288.08838	3.9
305.11401	3.1
347.08130	3.3
347.12491	100.0
371.05173	2.8
484.21313	22.4
514.22058	32.7
642.97699	2.4
651.26746	12.3
651.33698	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	651.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	1.8
59.01375	41.7
59.67300	0.7
71.01377	7.6
72.01671	0.9
73.02934	3.7
85.02938	5.2
89.02438	4.8
93.03440	20.2
96.95994	1.3
97.02960	1.1
99.00880	1.8
101.02433	9.8
113.02419	5.9
123.04522	1.1
137.02429	100.0
161.04605	9.8
179.05432	0.9
241.10849	4.3
260.24762	0.9
264.40994	0.9
265.12830	11.4
299.07727	22.1
307.14026	25.4
400.93134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94234	2.7
55.31810	2.8
55.66340	2.7
59.01379	26.9
66.53210	3.1
71.01372	14.7
73.02927	8.4
74.02390	3.2
78.02044	3.6
83.01405	3.5
89.02458	4.7
89.63955	3.8
93.27616	3.2
99.32282	3.1
101.02412	6.7
111.82288	3.3
116.63007	3.7
119.05185	4.0
129.05516	3.4
138.09224	4.8
148.04008	42.1
150.05605	16.2
160.04057	4.5
161.04794	71.8
173.03622	4.1
174.04228	5.9
174.05553	6.2
175.05096	53.7
202.08801	8.1
215.08241	5.1
216.06610	20.2
217.06117	38.8
228.06293	3.4
231.07590	4.2
232.08496	16.2
233.09308	55.1
241.09912	5.8
244.09827	100.0
245.09297	13.0
246.07983	3.3
263.10300	3.7
287.10434	8.3
305.11337	5.5
337.72675	3.5
347.12466	93.0
370.17697	5.1
462.87570	3.5
472.20752	8.2
484.16031	11.0
484.20914	22.4
514.22003	59.5
621.25519	14.8
633.25378	4.1
651.26221	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55366	1.4
59.01379	2.7
59.36101	1.4
71.01377	6.2
74.79028	1.4
75.00864	2.4
85.02940	2.5
96.96002	36.6
99.00902	2.5
101.02405	2.6
105.03441	11.0
113.02449	2.5
119.05000	62.5
145.02966	5.9
149.02429	85.8
163.04005	6.1
165.05591	2.0
167.03485	7.9
214.24541	1.8
227.07043	2.1
269.08185	100.0
337.07477	2.3
607.16779	36.3
651.15790	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	651.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11517	1.2
71.01374	2.1
81.97591	1.0
93.03439	4.5
104.02387	1.1
107.04996	4.8
119.05005	100.0
133.06572	2.2
135.81305	1.0
153.29198	1.1
159.04507	5.0
161.04868	2.4
163.03993	85.5
211.07635	89.8
218.69220	1.3
221.09865	1.9
239.10786	16.9
244.09648	4.0
265.08655	7.1
283.09778	14.4
309.07678	17.9
379.16953	1.3
468.17581	2.6
471.12872	2.8
489.13956	2.7
651.19214	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53785	1.9
62.67036	2.0
63.20704	2.5
63.84133	2.1
74.69078	2.4
87.82527	2.4
113.82183	2.4
124.88635	2.5
128.78714	2.8
146.32509	2.8
147.04523	5.5
164.07216	4.4
172.78778	2.3
190.45940	2.3
233.39932	2.4
245.10582	3.1
257.58453	2.6
314.18741	3.7
447.21631	31.3
462.23938	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	649.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28896	1.0
65.50396	1.2
70.77948	1.1
70.80769	1.3
73.04070	1.8
74.42161	1.3
76.51022	1.2
78.95551	1.7
84.00900	2.1
85.04070	1.6
96.96001	4.6
115.08147	1.2
115.08754	17.8
116.07171	21.9
125.07119	1.4
127.08731	2.7
129.10307	9.3
146.06078	6.4
151.08691	2.9
155.08221	8.8
158.06012	2.3
173.09348	11.4
185.07123	2.3
186.05534	7.8
188.37555	1.4
203.08250	41.9
228.17163	23.3
245.12923	4.9
250.15526	2.2
254.15065	1.7
259.14529	2.6
262.15860	1.5
263.14124	1.4
272.16193	2.5
284.14111	2.2
285.19293	9.7
300.28214	1.6
301.16858	2.5
310.17661	1.8
319.17697	16.1
329.18347	5.5
341.18457	2.2
374.49136	1.4
415.23538	1.8
535.70166	1.3
575.32166	10.6
605.33374	9.1
619.34692	5.8
649.35675	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	649.357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96357	1.6
59.01392	1.8
59.35709	1.4
59.58048	1.5
60.31010	1.4
67.66726	1.5
84.00897	3.9
100.37004	1.7
115.08759	21.1
116.07143	27.9
129.10335	8.7
146.06111	9.9
151.08751	3.3
155.08257	9.3
158.06149	1.7
165.06209	1.5
173.09276	15.2
185.07172	2.0
186.05573	9.1
203.08253	48.3
206.17038	2.2
228.17136	24.6
245.12857	2.7
250.15645	3.1
257.12872	2.0
259.14566	4.2
272.16379	1.9
284.14047	2.4
285.19318	11.1
301.16425	2.1
316.16315	2.3
319.17743	16.9
329.18311	6.8
341.18521	2.6
438.18253	2.0
575.31897	3.9
605.33301	10.1
649.35754	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	649.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66677	2.1
54.27376	1.9
59.01377	100.0
64.52149	2.9
65.10680	2.7
69.53239	2.3
71.01371	43.8
73.02937	11.4
76.82345	2.7
83.01363	6.1
85.02940	22.3
87.00832	3.7
89.02443	30.0
99.00847	4.1
101.02424	39.1
113.02437	37.9
119.03466	16.6
124.07687	4.9
128.10777	4.0
130.08704	93.0
130.12286	3.0
136.07642	12.3
138.09270	3.8
172.09770	77.4
213.06813	3.1
217.66658	2.7
218.80946	2.8
229.09734	4.4
239.11893	3.6
241.09860	5.5
243.11337	3.4
255.11287	5.1
275.14166	3.5
301.11984	10.5
324.18262	43.9
362.18790	23.0
424.18668	2.7
438.20435	26.1
456.21286	5.7
545.29663	68.7
563.30725	48.1
605.32361	54.6
619.28235	19.8
645.84100	3.1
649.28705	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79600	1.1
53.74063	1.3
55.47600	1.1
63.88070	1.3
63.90479	1.5
71.60258	1.5
75.36083	1.5
84.00894	2.0
85.04070	1.8
86.47363	1.5
89.33733	1.3
115.08751	15.7
116.07140	28.6
129.10291	6.1
146.06084	10.4
151.08719	2.6
155.08310	10.0
155.41998	1.6
158.06169	2.0
158.52939	1.6
169.09808	2.3
173.09274	15.8
185.07251	1.9
186.05550	7.2
203.08275	40.2
228.17137	24.1
232.67946	1.7
245.12933	3.5
250.15527	2.8
259.14514	2.8
262.15540	1.9
269.08170	8.8
276.59082	1.6
285.19302	9.1
301.16684	1.9
319.17697	16.8
329.18253	7.0
341.18375	3.0
575.31976	11.9
605.33551	11.3
619.34204	2.3
649.35693	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	649.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26261	2.0
55.25667	1.9
57.45190	2.2
59.01381	47.4
71.01361	18.7
73.02946	4.3
75.00859	12.8
79.16857	2.1
82.14363	2.1
83.01399	3.3
85.02933	29.6
87.00867	4.8
87.53232	2.0
89.02440	8.6
95.01343	3.0
99.00859	9.4
101.02422	20.8
113.02425	34.2
210.96432	2.2
215.08240	11.3
241.09819	3.5
282.30255	2.2
299.10577	2.5
472.86710	2.5
473.27432	4.0
563.30658	4.0
605.31061	12.3
619.27777	3.2
649.30804	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	649.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	4.3
59.01373	100.0
62.06034	3.6
68.26623	4.3
69.74280	4.3
71.01363	76.8
72.37166	4.8
72.99284	7.0
73.02926	25.6
75.00861	28.8
83.01398	10.6
85.02941	58.6
87.00860	19.0
89.02429	31.3
91.49697	3.7
95.01383	5.7
97.02902	4.5
99.00894	15.4
101.02407	40.9
113.02432	66.0
119.03499	5.3
123.08124	4.6
136.07672	6.6
148.04002	20.5
150.05574	25.3
150.09206	6.0
162.05481	6.2
173.03362	5.2
174.04324	22.8
175.05153	4.5
177.08325	3.9
189.06752	5.5
191.05899	4.5
191.48047	4.3
194.04500	6.5
201.07974	10.8
215.08144	5.6
231.07715	20.9
232.08557	64.6
233.09256	7.5
242.08281	9.3
243.09018	9.7
244.08212	33.2
245.06953	16.5
245.09267	5.7
246.07672	7.3
268.65997	4.3
286.09781	10.5
299.14014	8.0
325.12186	7.0
362.18582	7.6
382.17899	16.1
395.15814	5.8
436.18915	19.3
437.17087	19.6
454.19727	50.8
469.29596	55.5
473.27713	10.4
480.17767	9.4
513.22510	4.9
545.29510	50.0
563.31158	32.5
605.32825	48.9
632.01190	5.0
649.25458	88.4
649.30951	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	649.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67037	4.1
59.01374	15.7
105.86337	4.1
129.93944	4.0
136.07605	7.2
138.09224	8.3
139.26857	5.7
141.49994	4.8
154.65771	4.1
161.07198	25.7
173.07153	7.2
213.06705	18.7
214.07465	6.0
215.08241	100.0
215.11702	13.4
233.09221	20.7
241.09828	44.7
243.11374	5.3
263.84464	5.4
268.08450	15.7
269.09317	20.3
275.48959	4.8
286.09686	6.0
301.11911	18.3
438.19901	10.0
456.21570	16.6
465.99689	4.4
486.21979	8.3
619.28162	42.4
649.28845	86.7
649.38806	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	649.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	48.2
65.97939	2.4
71.01368	19.9
73.02937	81.4
83.01362	7.0
84.93650	2.7
89.02432	5.1
101.02417	36.4
113.02409	11.2
114.80100	2.8
125.32616	2.7
127.05132	11.1
143.45593	2.9
144.83917	2.5
145.08676	7.2
157.40726	3.0
160.76418	2.7
176.77715	2.8
255.79390	3.1
366.86246	3.3
383.24503	26.2
605.31927	100.0
619.22839	5.0
631.22961	3.3
649.23297	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	649.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15871	1.5
53.67110	1.4
56.47609	1.6
57.86502	1.5
92.91410	1.7
124.07641	4.0
135.04836	1.6
135.23709	1.8
136.07689	14.8
136.08627	1.7
138.09239	2.7
162.05588	4.0
164.10791	17.4
199.12372	8.2
208.09773	9.8
213.06656	6.3
214.07439	3.3
214.47366	2.1
215.08252	7.1
215.11841	2.1
225.10278	10.6
227.08255	3.1
229.09828	19.6
239.11871	12.6
240.08954	2.8
241.09801	20.7
242.10538	8.2
247.10823	3.4
254.10564	2.4
255.11386	9.2
257.12833	2.0
258.09976	2.2
268.08603	2.2
269.09247	9.8
269.12885	2.5
275.13950	9.0
299.10593	2.4
301.11938	100.0
308.17566	2.5
319.13010	35.2
336.20953	3.3
362.18768	27.1
380.19986	4.1
394.21085	2.2
406.17825	4.0
434.60590	1.8
438.20197	7.4
456.21460	10.9
468.21359	7.3
482.19592	2.0
486.22562	3.1
568.93121	1.7
619.27753	77.0
649.28845	84.2
672.61139	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	649.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20691	5.9
50.91171	6.2
51.96903	6.9
52.00574	6.2
54.12552	7.6
59.01378	6.8
66.34315	6.9
82.09116	9.3
90.25634	7.2
92.19386	12.0
96.96004	15.3
134.86494	32.6
134.89465	34.2
154.65691	10.1
161.07245	12.1
196.09238	10.2
213.06572	31.6
215.08199	100.0
233.09274	19.3
241.09813	13.9
533.58929	10.6
544.53070	11.1
619.18396	8.9
619.27722	61.6
649.28564	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2518
Annotation	15-Hydroxyansamitocin P-3
Peak:m/z	Relative Intensity
51.36279	2.8
59.01374	5.6
73.02930	4.3
78.53263	3.1
80.13624	3.1
96.95980	3.9
124.07660	68.9
135.04529	15.9
135.15967	3.3
145.09602	3.4
150.05528	5.1
168.06683	35.6
213.13957	7.8
217.55658	3.4
239.11887	56.5
301.09637	4.1
308.17648	13.5
333.14835	6.6
336.20853	8.2
337.07135	4.0
362.18793	100.0
380.19772	33.3
406.17627	13.7
418.98718	3.6
436.18765	19.1
480.17816	4.8
605.31677	15.0
619.24023	22.2
642.26038	3.8
649.25232	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.1
75.49160	4.7
101.91766	4.8
124.07681	5.4
131.05205	4.4
136.07642	10.2
137.14516	3.9
138.09247	20.7
143.69923	4.1
213.06741	9.6
227.08301	4.4
229.09848	9.8
239.11879	15.9
241.09825	23.6
254.10667	5.4
255.11398	9.0
257.12982	5.7
269.13010	17.6
275.13950	5.9
301.11880	17.7
308.17657	5.8
333.14758	5.5
336.20706	4.7
362.18735	69.3
394.21582	6.7
422.80557	4.6
438.20300	48.4
456.21573	16.2
468.21411	9.0
486.22690	8.0
619.27844	57.9
649.28839	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	649.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12727	0.9
51.67087	1.0
58.43553	1.1
59.01377	100.0
67.49968	1.1
71.01020	2.0
71.01367	23.6
73.02933	49.7
78.37180	1.2
83.01386	11.0
85.02916	2.7
87.00874	1.4
89.02444	14.4
95.01330	1.5
96.95998	2.0
101.02429	42.6
113.02436	18.3
119.03470	5.4
119.49331	1.3
125.02350	1.4
134.03706	1.3
137.09682	7.2
143.03490	3.0
148.86368	1.1
149.04544	6.8
149.36581	1.1
149.78934	1.1
151.26111	1.2
161.04532	16.7
189.12888	5.0
193.05045	45.9
211.34375	1.3
221.06726	9.4
301.29248	1.2
311.21225	1.3
411.20236	10.4
433.15594	1.3
521.84778	1.4
649.25537	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	649.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
59.01377	25.6
61.43780	1.0
71.01374	21.5
71.86159	1.0
73.02930	5.7
74.51362	1.0
78.11079	1.0
78.95897	2.4
83.01385	1.6
85.02946	10.4
87.00869	4.4
89.02432	13.3
95.01361	1.3
96.95993	100.0
96.96971	6.8
99.00855	2.5
101.02430	24.1
102.98616	1.8
113.02420	14.2
119.03474	4.4
123.08147	2.1
125.02481	1.4
125.96200	1.0
127.19363	1.1
131.03456	2.3
143.03511	1.5
161.04575	9.5
162.17476	0.9
177.12830	6.8
180.04291	1.2
195.06631	2.5
195.13908	1.8
221.06609	2.4
221.11827	2.2
225.07678	3.9
243.60843	1.2
245.52805	1.1
265.14459	1.1
275.47583	1.1
359.20630	1.9
451.16153	4.0
487.11301	1.4
563.23682	7.1
605.24542	77.3
649.23712	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	649.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09007	0.9
54.83891	0.9
57.03452	1.5
59.01371	28.3
70.38297	1.2
71.01369	20.5
72.99300	2.1
73.02938	5.5
75.00857	23.2
78.71704	1.0
83.01386	4.2
85.02938	26.5
87.00861	9.7
88.67999	1.1
89.02429	5.2
96.95988	2.2
99.00874	9.7
101.02447	8.8
113.02431	33.1
115.00343	1.9
117.01843	1.2
136.96390	1.1
161.04605	1.4
169.07378	1.2
175.02516	1.3
176.39235	1.1
254.27885	1.4
277.41049	1.3
605.24493	100.0
649.25452	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	649.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61633	1.0
54.82855	0.9
55.52147	1.0
59.01374	100.0
59.29568	1.2
66.45078	1.1
71.01362	7.9
73.02942	3.1
73.21128	1.2
80.37668	1.3
85.02939	2.7
89.02428	2.1
93.68272	1.3
99.00812	1.5
101.02428	19.5
113.02406	8.3
121.06565	10.5
159.03003	1.9
161.04518	11.9
163.90030	1.3
165.05551	30.6
176.83914	1.4
198.12949	1.3
235.11871	34.4
277.12900	32.6
327.10901	9.0
545.52606	1.4
559.90240	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	649.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04179	1.3
55.01871	1.7
57.03448	2.0
59.01378	64.9
70.89742	1.4
71.01370	57.1
73.02934	17.2
83.01373	3.6
85.02932	14.9
87.00856	9.9
89.02431	52.4
89.06576	1.4
90.50749	1.6
92.04102	1.6
95.01369	2.7
96.95999	6.3
97.02924	1.8
99.00832	2.9
101.02433	57.0
113.02433	37.9
119.03490	18.7
125.02397	3.5
127.04961	1.8
131.03487	22.4
131.25500	1.7
136.05251	2.3
143.03484	3.8
145.05055	2.7
150.06850	11.4
159.02957	3.1
161.04535	30.1
165.09203	35.8
177.12834	3.9
179.05637	24.9
182.72479	1.5
203.10861	6.7
219.77693	1.6
221.06674	28.9
221.11794	2.1
231.07912	1.7
235.08212	8.6
235.10535	1.6
244.68356	1.5
263.07727	18.8
274.53830	1.8
288.67929	1.5
397.13519	3.1
439.14508	37.9
605.24524	100.0
649.26111	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	648.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44369	0.5
57.38663	0.4
59.01353	0.9
61.98828	100.0
62.44477	0.5
72.23862	0.4
88.81866	0.5
94.28278	0.5
97.93881	0.6
114.44742	0.6
352.31137	0.6
418.52921	0.6
430.40610	0.5
483.75723	0.5
503.85373	0.5
588.28503	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	649.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17481	0.6
58.21269	0.6
59.01375	42.9
71.01379	10.0
73.02927	5.9
73.05167	0.6
73.58682	0.6
83.01401	0.9
85.02920	4.8
85.40694	0.6
86.17236	0.6
89.02422	4.1
93.03442	19.5
96.96000	8.8
101.02429	12.4
113.02469	6.4
119.03457	1.1
123.04457	0.9
137.02431	100.0
143.03529	0.9
159.01569	0.7
159.02940	1.6
160.45546	0.7
161.04510	11.8
173.70850	0.7
175.32280	0.7
245.10367	1.2
263.11310	11.5
299.07663	22.7
305.12402	31.6
349.15335	1.0
433.94238	0.7
434.88803	0.7
441.14670	0.7
469.27454	0.7
499.98904	0.8
653.24274	0.8
653.64667	0.7
659.04437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56833	1.9
58.58814	2.2
59.01381	49.4
59.18757	2.1
60.71069	2.0
63.95529	2.0
71.01363	31.5
73.02929	10.2
83.01351	2.8
85.02914	5.1
87.00874	9.8
89.02436	39.3
97.02917	4.0
101.02409	30.5
113.02478	17.7
113.03124	2.3
119.03474	9.2
125.02417	12.7
133.90349	2.3
161.04440	2.4
179.05650	2.4
183.88979	2.1
235.08270	9.1
249.18585	82.8
396.62631	2.3
397.13492	100.0
415.14612	32.9
617.38885	3.7
647.39990	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	647.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11964	1.4
57.29800	1.7
60.15234	1.5
63.90974	1.7
75.37865	1.7
94.16441	2.0
99.08153	40.5
103.74239	1.6
105.45814	2.1
126.17389	1.7
149.13373	2.7
193.12329	19.4
217.68512	1.6
227.67453	2.0
293.21216	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	647.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	55.6
62.15090	2.3
64.25941	2.5
69.01994	2.5
69.88277	2.6
70.28226	2.5
71.01373	24.7
73.02914	3.6
83.01373	4.8
85.02943	4.4
87.00868	4.9
89.02441	34.3
101.02427	38.9
107.02029	2.5
113.02470	20.9
119.03432	5.3
125.02415	15.9
125.57214	2.9
151.24294	2.7
161.04550	4.1
235.08183	12.3
237.08545	3.0
246.27281	2.9
249.18587	93.9
253.09212	4.7
262.49255	2.8
271.63168	2.7
308.25070	3.1
308.35388	3.1
366.01456	3.3
397.13470	100.0
415.14453	35.2
535.76550	3.0
586.30566	3.1
629.38831	3.1
647.40314	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	647.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96510	0.9
54.47598	1.0
55.01864	2.0
59.01379	35.4
65.46651	0.9
71.01381	35.5
71.84480	1.1
73.02940	10.1
82.55602	1.0
83.01394	7.3
83.68555	1.0
85.02933	19.6
89.02432	10.7
95.01363	1.6
99.00864	4.5
101.02433	30.6
110.25796	1.2
113.02435	24.8
116.20987	1.1
119.03481	1.9
121.22392	1.0
125.02465	1.2
143.03513	1.2
161.04559	13.3
406.54654	1.2
471.74561	1.2
561.29620	2.4
603.30310	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	647.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63890	1.9
59.01379	43.4
63.36427	1.9
70.40194	2.0
71.01365	35.3
73.02934	12.4
80.32059	2.0
85.02941	14.3
88.72580	2.3
89.02412	16.6
90.46047	2.7
92.53045	2.1
96.35291	2.2
97.02941	3.4
99.00872	5.5
101.02438	30.5
107.70789	2.4
113.02429	19.4
131.03479	3.2
161.04538	11.9
262.68051	2.8
302.32166	2.7
561.29205	4.0
593.80383	2.7
603.30298	100.0
611.11090	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	647.294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75586	9.1
59.01389	84.5
59.16056	9.3
59.86430	9.8
71.01376	63.6
73.02965	11.6
81.20719	8.9
83.17400	9.0
85.02924	12.0
88.58562	9.2
89.02429	44.0
98.05568	9.3
99.42358	10.1
100.85145	8.9
101.02409	46.7
113.02428	17.0
130.16502	9.3
135.76051	10.2
145.06166	15.9
165.90402	10.5
229.09732	10.5
229.13358	16.4
241.09837	17.7
274.55435	11.0
294.10016	15.0
509.34869	14.5
534.02435	11.7
540.60748	10.8
543.28271	45.3
561.29205	25.3
603.30713	100.0
625.37488	13.5
647.27264	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33265	2.0
52.30984	2.1
55.01863	2.7
59.01376	98.9
60.17947	2.2
67.95596	2.2
71.01368	63.5
73.02950	18.5
73.46027	2.3
75.00879	3.0
79.32439	2.4
82.23399	2.3
83.01364	5.0
85.02943	33.8
85.66648	2.3
89.02431	39.0
92.19974	3.7
95.01338	9.9
99.00858	5.9
101.02435	63.9
113.02429	50.5
119.03511	6.0
120.77955	2.5
125.02388	3.3
161.04572	10.1
464.98810	2.5
543.28101	100.0
561.29022	73.2
603.30432	83.1
625.97076	3.3
647.29333	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	647.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39039	8.0
84.66033	7.9
100.98889	10.7
120.84356	9.2
134.06117	45.2
141.19525	10.5
160.04025	11.8
225.10284	12.8
229.09792	13.3
241.09677	16.6
254.10524	10.3
255.11377	12.9
269.12762	14.1
301.11893	41.8
314.50757	10.4
362.18726	20.6
417.14117	10.6
617.26135	100.0
647.27112	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96305	2.0
55.34237	2.5
57.03456	3.0
59.01379	100.0
60.70744	2.2
61.65989	2.4
64.28882	2.4
64.34749	2.2
71.01371	53.3
73.02943	20.5
75.97811	2.2
83.01377	5.2
85.02924	22.0
89.02437	43.3
99.00932	4.1
101.02436	34.7
107.90501	2.9
113.02427	40.3
119.03460	13.9
147.77260	2.6
159.03061	2.5
161.04532	4.8
223.65651	2.4
319.99890	2.6
371.80441	2.7
543.28162	77.9
561.29126	39.9
603.30243	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40587	1.0
57.04937	0.9
59.01382	11.6
71.01373	4.4
79.26366	1.1
79.67191	0.9
83.45020	1.0
85.02925	2.3
101.02425	1.9
101.69820	1.0
113.02410	2.3
136.07668	1.8
157.08957	1.1
164.09528	1.5
164.10786	27.0
164.82501	1.0
184.07596	1.7
190.05016	1.3
208.09760	20.7
220.06160	3.7
226.11096	1.2
227.08237	11.4
227.11777	11.2
228.09021	1.4
229.09785	1.5
229.13457	14.3
241.09789	5.4
241.13489	1.9
245.09267	5.3
253.09787	11.6
255.11385	24.6
256.12094	4.5
257.09406	1.6
257.12909	2.5
267.11288	4.8
268.08472	1.2
268.12170	11.0
269.09390	1.3
269.12939	4.6
271.10840	1.5
273.08768	1.6
283.10834	5.8
285.12424	9.9
293.09241	5.1
294.09949	1.3
297.08704	2.3
301.11716	1.6
301.61398	1.1
311.10394	1.8
312.18814	1.2
315.09854	6.8
344.13455	1.2
387.11896	1.9
388.12598	2.2
436.18756	5.6
454.19537	2.5
587.30591	1.3
617.26233	12.2
647.27216	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	647.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84402	2.1
59.01377	99.9
67.43616	2.0
71.01373	15.0
72.99290	4.8
73.02943	2.9
74.90836	2.3
89.02434	2.6
101.02417	13.3
113.02426	5.4
119.05005	100.0
138.05571	12.7
161.04524	15.2
163.03998	40.7
224.32634	2.1
235.11896	30.3
239.05617	2.7
248.74799	2.2
259.10822	5.2
277.12946	30.5
321.10941	14.4
325.09302	41.2
401.79282	2.4
588.76575	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	647.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.6
76.93153	2.7
77.35300	2.9
78.60462	2.7
79.55280	2.7
83.39156	3.0
122.06148	4.8
220.06163	11.8
227.08247	4.3
227.11908	11.9
229.13474	16.8
241.09822	11.6
253.09938	6.4
256.12106	6.7
257.12939	4.5
265.09921	4.0
267.11377	4.5
283.10947	4.0
285.12415	6.5
293.09244	4.1
294.10040	4.8
311.10300	3.6
313.12192	3.6
315.09964	4.9
387.12225	5.6
388.12970	4.1
615.24597	4.5
647.27307	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	646.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.1
61.98826	100.0
96.90662	1.0
134.32797	1.0
135.47041	1.1
139.56206	1.2
164.88069	1.2
235.71246	1.0
276.18741	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	646.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66768	1.0
57.90261	1.2
59.01360	2.0
61.98830	100.0
62.22056	1.3
66.88340	1.4
71.01347	1.9
243.38919	1.4
576.07452	1.5
586.26184	1.9
629.93140	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	646.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92893	0.9
54.05300	0.8
61.98826	100.0
66.61372	1.0
68.88361	1.0
73.44352	0.9
84.10419	1.1
84.18298	1.1
150.49373	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	647.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66451	2.6
57.03449	4.5
59.01378	60.0
69.03452	3.2
69.66110	3.3
69.84464	2.7
71.01373	50.0
72.99293	47.0
73.02943	23.7
75.00864	37.6
83.01404	4.1
85.02935	54.8
87.00862	6.3
89.02425	21.5
95.01376	7.3
96.96021	3.4
97.02914	14.3
99.00900	11.0
101.02419	33.3
103.00364	22.3
113.01675	4.3
113.02438	100.0
116.55271	3.3
117.51810	3.1
121.48759	3.1
129.01881	3.9
131.03477	18.2
133.01408	6.1
156.39149	3.8
157.01384	5.3
175.02467	14.5
193.03514	60.4
235.04576	57.7
346.41061	3.9
379.08759	46.6
397.09891	79.3
482.24643	3.5
499.62881	3.7
603.23193	99.1
647.25659	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	646.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36357	0.5
59.66833	0.5
61.98825	100.0
73.98666	0.5
81.35715	0.5
89.05472	0.5
149.70074	0.6
167.53336	0.6
438.21915	0.7
575.35181	0.6
665.15961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	1.5
59.01381	45.4
71.01377	50.0
73.02941	9.4
83.01376	1.7
85.02937	14.8
87.00853	6.3
87.02232	1.3
89.02431	61.1
90.41667	1.2
97.02966	4.8
99.00874	2.9
101.02429	46.9
109.34106	1.3
111.00833	2.4
113.02431	27.0
119.03482	22.0
123.41899	1.2
125.02427	8.7
127.68168	1.2
131.03442	9.7
131.53185	1.4
136.87857	1.3
143.03514	7.7
159.03075	1.4
160.07655	1.8
161.04541	14.4
179.05597	11.6
218.46944	1.4
221.06647	15.6
236.92162	1.3
271.32648	1.4
322.13049	5.4
323.09726	5.6
484.18228	6.3
488.14111	1.5
536.45538	1.6
646.23633	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	646.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04170	0.5
57.17695	0.4
71.01363	0.9
76.55405	0.5
85.02895	0.6
87.00872	3.5
107.03473	0.5
115.00421	0.6
117.01923	0.9
117.85702	0.5
120.01213	4.4
128.03511	1.0
128.72212	0.5
143.04594	3.2
160.01682	0.6
161.04553	6.9
165.00116	0.6
174.01497	0.5
179.04225	0.6
179.05637	10.9
192.99638	100.0
272.08783	2.6
309.39243	0.5
316.08505	0.8
373.05997	20.5
646.15692	15.0
661.96497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05894	2.1
53.80521	2.1
59.01381	27.6
60.45816	2.5
60.53422	2.1
71.01354	3.6
81.95965	2.2
85.02983	2.9
98.49794	2.7
101.02457	3.2
103.90307	2.4
109.04036	4.3
118.00260	2.6
127.04228	4.4
127.05117	63.5
128.03529	6.2
135.68665	2.4
145.06161	16.0
166.77000	3.2
337.24869	3.7
343.62155	2.8
351.26450	4.2
377.31546	3.9
405.31229	9.3
477.46140	2.8
559.36371	3.0
601.27893	5.0
601.37164	100.0
645.33496	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	645.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16297	2.1
59.01370	3.1
60.42759	1.7
62.49286	1.7
74.10671	2.0
86.48560	1.9
92.19286	3.7
93.03445	2.3
96.95996	2.5
112.81696	2.0
114.68802	1.8
158.12117	2.1
194.18349	2.1
195.18430	2.6
219.09904	2.0
238.67674	2.1
248.10197	6.8
249.22214	8.9
287.20245	2.1
293.21249	90.8
305.21005	4.2
311.22263	51.6
315.19443	21.7
325.06451	2.2
333.20502	100.0
333.82330	2.2
599.87390	2.6
601.28674	10.3
645.43500	62.8
665.04755	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	645.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64451	1.2
59.01373	30.6
59.90091	1.4
61.02667	1.2
62.69297	1.1
63.27117	1.2
71.01371	32.7
73.02921	11.5
75.39701	1.3
76.86120	1.6
83.01393	2.9
85.02490	1.3
85.02932	11.6
87.00861	2.4
89.02415	20.0
92.19333	2.4
99.00876	3.6
101.02429	40.3
113.02425	23.7
119.03482	5.9
131.03447	1.7
159.02988	2.7
161.04523	16.7
180.09338	1.6
204.63153	1.4
291.18103	18.4
423.22531	3.4
450.82886	1.6
585.27679	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	645.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55455	2.7
55.18565	2.7
55.27877	3.3
56.96064	2.8
59.01375	35.3
59.30317	2.9
70.59538	3.4
71.01369	33.7
73.02930	5.4
75.66464	3.1
85.02943	19.2
89.02435	17.5
101.02435	41.0
113.02448	27.6
135.16690	2.8
149.66965	2.9
151.62611	2.8
157.24112	2.9
159.03030	4.0
161.04520	17.0
279.03986	3.3
286.45041	2.9
291.18115	17.9
423.22446	11.5
475.28073	3.3
541.75006	3.7
573.10706	3.9
585.27698	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	645.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	40.9
61.71882	3.2
61.91278	3.4
71.01361	36.2
73.02946	16.2
75.00848	4.9
79.55489	3.1
83.01373	7.5
85.02930	8.3
89.02426	23.2
95.91816	3.8
101.02424	38.1
113.02445	20.5
114.53383	4.4
119.03526	3.7
127.05138	8.7
149.74007	4.7
159.02896	3.6
161.04539	9.1
191.72418	4.2
194.25624	4.3
399.03271	3.7
499.71918	4.2
601.28516	100.0
601.37201	12.7
645.33966	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	645.2543
Annotation	Riparianin
Peak:m/z	Relative Intensity
59.01374	18.5
60.04914	2.6
70.11600	2.2
71.01368	20.8
71.37957	2.8
73.02914	3.9
82.66948	2.7
85.02935	4.9
89.02434	13.0
92.19350	5.3
101.02420	18.9
113.02427	12.9
113.19555	2.8
143.32112	2.9
161.04532	5.4
170.95410	2.7
177.89781	3.1
235.41734	2.7
239.31429	3.6
306.58398	2.8
386.12115	2.7
415.24289	3.3
585.27637	27.9
601.28174	4.7
609.27826	26.3
645.25354	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	645.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13948	5.0
54.71469	4.6
61.98833	45.6
132.76595	5.5
138.03227	7.6
153.05534	23.1
166.02721	33.5
176.01166	9.8
181.05066	33.6
191.03487	26.0
192.04326	7.8
193.01443	10.3
193.04977	7.6
196.07346	12.8
207.06700	47.2
208.03796	28.5
211.09804	9.7
222.64723	7.0
223.06046	39.0
278.95947	5.2
587.62531	5.8
645.25549	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	645.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04661	0.7
53.38329	0.7
57.03441	1.8
59.01378	26.1
59.80758	0.8
62.65138	0.9
63.59813	0.9
71.01371	18.6
72.99295	4.4
73.02930	2.0
75.00859	22.8
83.01395	1.9
85.02936	27.8
87.00864	7.1
89.02441	1.7
95.01369	4.6
99.00863	9.0
101.02409	4.9
107.29809	0.9
111.00837	1.1
113.02419	27.4
115.00340	2.0
117.01905	1.4
162.11778	0.8
173.04361	1.2
448.74301	1.1
601.28644	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	645.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42741	1.9
55.86385	1.7
59.01376	7.4
60.85922	1.6
63.21811	1.9
96.96001	8.5
101.02428	2.3
136.58583	2.1
163.67545	2.0
221.26193	2.0
285.16245	6.8
371.51694	1.9
496.55585	2.0
645.24426	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	645.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92274	3.2
51.26904	3.5
54.09635	3.2
55.15914	3.7
59.01379	92.3
61.03223	3.5
61.35396	4.0
71.01375	67.8
73.02933	27.8
83.01381	6.0
85.02939	22.7
87.00820	5.9
89.02430	53.1
95.01373	4.9
96.95995	100.0
97.02898	9.6
99.00872	19.6
100.55533	4.2
101.02418	94.7
111.00838	6.4
113.02451	42.6
119.03508	20.2
125.02383	15.9
131.03476	6.5
141.01875	4.6
143.03490	10.2
153.93356	4.9
161.04552	16.9
235.11868	8.0
312.65271	4.9
541.21399	88.4
559.22388	65.8
585.24139	4.6
601.23682	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
59.74568	0.4
65.93420	0.3
78.95902	2.3
79.95718	1.5
85.56480	0.4
88.98793	0.5
90.32298	0.4
96.95996	100.0
96.96881	5.1
124.99138	0.4
186.60791	0.4
218.64745	0.4
220.46477	0.4
222.86493	0.4
398.29410	0.4
481.74268	0.5
585.24127	0.6
645.21674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48641	1.1
58.02977	4.1
59.01371	5.8
62.39605	1.0
68.58723	1.0
70.02972	4.9
72.04543	1.3
74.02464	35.9
92.19975	2.4
98.02456	6.4
101.02419	1.9
116.03521	20.6
116.05002	8.3
159.09244	1.8
201.10321	6.1
203.08258	66.7
245.09288	100.0
289.08337	1.8
325.11984	1.5
347.11066	1.1
645.26965	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	645.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81457	0.3
59.01368	1.2
63.52462	0.3
78.95889	0.5
79.95724	1.3
80.83726	0.3
87.00871	0.5
96.95990	100.0
96.96992	2.5
137.02434	2.0
153.05588	1.0
169.83078	0.3
175.07550	0.3
179.03448	0.3
191.40810	0.3
239.05746	1.3
249.48982	0.3
464.89197	0.3
532.55707	0.3
674.41046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	31.9
67.01880	1.6
71.01370	42.6
72.99307	1.8
73.02932	9.6
85.02943	29.6
87.00858	6.6
89.02406	1.7
95.01366	6.7
97.02959	1.7
99.59164	1.5
101.02432	14.2
111.00842	5.8
113.02433	43.0
123.66510	1.3
129.01897	2.5
131.03465	3.3
151.03795	1.6
173.04515	10.4
191.05620	1.6
215.05649	3.3
222.07857	1.6
245.06660	7.8
263.07697	3.6
291.09875	1.5
305.08795	2.1
310.18512	1.9
311.64859	1.6
317.08752	3.1
496.30646	1.6
537.09064	1.8
585.16614	2.2
603.88684	1.8
645.18805	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	644.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13874	0.3
59.01380	1.6
59.88391	0.4
61.98828	100.0
74.67139	0.4
84.95891	0.4
182.14313	0.5
184.39902	0.4
286.00183	0.4
554.64038	0.4
570.31091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99982	0.3
57.99070	0.3
59.01369	0.7
61.98828	100.0
64.65042	0.4
69.39075	0.4
79.75026	0.4
92.19347	0.8
100.21400	0.4
110.99122	0.4
116.40170	0.5
129.16306	0.4
130.63298	0.4
202.49916	0.4
254.89626	0.4
435.82623	0.5
573.76001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52829	0.6
53.86848	0.6
53.98241	0.7
56.79567	0.8
57.42465	0.6
61.98827	100.0
62.28955	0.7
92.19287	1.4
95.85262	0.8
112.72482	0.9
135.41943	0.8
157.17848	1.0
177.05461	1.0
193.05025	1.8
220.27850	0.8
581.20258	6.9
616.47437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83807	0.6
61.98828	100.0
70.39470	0.6
82.31330	0.7
82.83941	0.7
91.72371	0.7
93.86305	0.6
109.59265	0.6
138.42068	0.8
151.94312	0.8
156.27141	0.7
178.53763	0.7
340.61646	0.7
358.57788	0.8
619.22955	0.8
651.54980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97629	0.8
55.42435	0.8
59.01387	0.9
61.98828	100.0
71.54641	0.9
149.02458	1.0
150.03236	2.2
164.04796	3.9
165.05556	15.9
180.04330	1.6
195.06650	4.3
208.03737	9.4
209.41232	1.1
223.06093	16.1
419.13477	6.3
581.18933	19.9
602.75812	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	643.3339
Annotation	Virescenoside R
Peak:m/z	Relative Intensity
59.01375	22.3
69.04002	2.6
70.40466	2.4
71.01368	19.3
73.02953	5.1
83.01393	3.7
85.02940	9.3
89.02454	10.8
98.97398	3.1
101.02444	25.0
102.09808	2.6
109.63110	3.2
113.02421	12.7
122.01612	2.6
147.73505	2.5
154.26271	2.6
319.22668	22.2
422.15616	2.7
481.28040	3.7
643.33240	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	644.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
66.10405	0.7
84.39272	0.7
112.91278	0.8
120.99647	4.6
147.68588	0.7
150.03255	1.3
164.04758	1.2
165.05527	10.0
195.06636	1.9
208.03773	4.5
223.06082	12.0
223.83833	1.0
348.64194	0.9
419.13461	8.4
565.16821	0.9
581.18762	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	643.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.6
63.51133	1.0
96.02204	1.2
101.19202	1.2
108.08368	1.3
121.61112	1.2
123.08142	21.2
125.09706	22.5
126.54169	1.1
133.06572	1.7
141.09254	2.5
151.07629	28.1
152.62212	1.4
169.08662	17.1
195.06616	6.0
213.07681	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	643.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12468	1.4
58.49280	1.4
59.01380	34.0
71.01365	39.5
73.02959	11.4
75.00877	2.3
78.15149	1.6
83.01390	3.8
85.02932	14.1
89.02426	31.9
93.44473	2.1
99.00877	2.5
101.02416	42.9
101.03027	2.9
113.02408	24.5
119.03495	8.0
143.03535	3.2
159.02980	6.8
161.04520	14.7
166.88792	1.9
179.05727	2.4
180.96800	1.9
217.09891	1.7
236.52180	1.8
259.36609	1.7
265.77780	2.0
289.16608	6.7
295.61276	2.1
421.20865	3.6
430.38477	2.1
446.98975	1.9
583.26105	100.0
599.23401	2.4
643.26483	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	643.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52538	2.1
53.56762	2.0
59.01384	43.4
71.01378	43.3
73.02946	14.6
83.01387	4.8
85.02949	17.3
89.02464	24.8
92.19279	6.1
95.01382	3.4
99.00862	5.1
101.02438	49.0
103.03271	2.3
113.02455	28.9
114.90937	2.3
119.03462	4.3
122.44657	2.9
159.03056	2.8
161.04604	21.5
179.05760	3.1
215.35768	2.6
221.06554	2.6
229.62563	2.7
275.23407	2.7
289.16544	4.4
319.58588	2.5
421.20837	9.6
528.74738	3.3
583.26172	100.0
599.26630	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	643.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34677	1.0
57.03432	1.5
59.01374	31.6
64.35883	1.2
71.01373	37.4
73.02924	12.0
75.66950	1.1
83.01388	3.2
85.02937	19.5
89.02428	26.5
96.85206	1.6
97.02927	2.2
99.00905	1.9
101.02432	44.8
113.02446	22.0
119.03490	2.5
124.01651	2.4
124.83233	1.3
125.02402	3.2
127.11311	2.7
131.03502	1.3
135.04524	1.5
143.03525	1.4
159.02971	5.0
161.04503	16.7
186.54346	1.5
219.11787	1.2
233.36177	1.3
289.16592	10.0
421.21008	11.8
433.20966	1.7
451.21570	2.2
583.26111	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	643.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63088	0.8
57.03456	3.0
59.01377	24.4
71.01364	19.0
72.99289	3.8
73.02930	4.9
75.00860	22.9
83.01350	1.3
85.02941	26.2
87.00882	8.0
89.02406	2.0
95.01366	5.3
99.00872	8.7
101.02405	8.7
113.02427	32.1
115.00365	1.9
117.01952	1.8
158.63264	1.0
161.04584	1.6
173.04637	1.3
221.46074	1.1
255.86099	0.9
262.79141	0.9
273.77554	1.1
346.79718	0.9
367.78122	1.0
385.06604	1.0
599.27045	100.0
643.28320	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	643.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66208	2.0
59.01379	84.7
65.09465	2.1
67.51872	2.2
71.01366	21.0
73.02927	3.0
80.90559	2.3
85.02960	3.1
89.02432	26.1
97.02908	2.9
99.00851	2.5
101.02430	17.2
113.02438	17.1
119.03484	5.4
121.03800	2.5
123.95758	2.3
149.09691	2.9
161.04526	3.4
179.05571	14.2
179.36208	2.0
181.05022	25.3
190.18372	2.3
196.07416	100.0
210.08406	2.3
211.07903	3.5
211.09770	73.5
219.13969	4.2
233.11995	2.5
361.29184	2.3
371.13629	3.9
421.18582	36.9
583.23694	17.0
599.13806	2.9
599.23773	12.4
643.30865	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	643.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
57.95865	1.4
59.01125	1.7
59.01383	28.8
71.01362	12.8
73.02929	3.6
74.09417	1.4
75.00866	22.0
76.13041	1.5
77.33353	1.5
85.02939	26.9
87.00846	6.9
89.02429	2.5
95.77613	1.5
99.00870	7.7
101.02418	3.6
113.02431	33.3
154.95210	1.5
215.44629	1.5
260.00983	1.6
297.81137	1.7
341.58167	1.7
437.91837	2.2
461.97656	1.9
599.27124	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	643.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
59.01374	22.4
71.01369	18.0
73.02930	2.5
75.00864	23.0
75.67638	1.5
83.01372	4.4
85.02930	25.7
87.00861	7.0
89.02429	2.7
91.32890	1.1
95.01381	2.3
99.00841	6.8
101.02417	5.1
113.02431	31.3
117.01935	1.6
131.03453	1.3
146.72043	1.0
156.95764	1.2
182.30623	1.0
233.15434	2.6
423.84695	1.3
576.75342	1.4
599.27106	100.0
621.64478	1.2
663.58160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
62.01563	1.5
68.84080	1.3
71.01373	8.0
73.02946	6.8
74.13503	1.4
83.53117	1.3
85.02953	6.6
89.03057	1.3
90.96785	1.2
92.62070	1.2
101.02415	15.1
101.69997	1.3
113.02442	9.0
114.94614	1.5
159.02934	2.6
161.04526	6.7
163.46904	1.3
235.11842	32.6
277.12930	29.5
507.28442	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	643.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29168	1.0
59.01376	100.0
70.29340	1.0
71.01363	9.9
73.02948	1.9
83.01371	1.4
85.02944	2.7
89.02424	2.1
101.02432	17.7
113.02423	8.7
141.04408	1.5
155.63196	1.4
159.02925	1.3
161.04521	8.6
209.08144	1.8
213.07629	1.3
235.11826	29.0
277.12930	23.6
421.88177	1.5
432.68759	1.3
442.39029	1.3
596.79767	1.5
640.05939	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	643.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12952	3.7
59.01375	22.2
60.30809	4.0
122.03688	4.4
135.04474	9.7
149.02414	6.2
150.03203	63.3
155.46736	4.6
158.31833	4.6
164.04834	6.1
165.05563	100.0
180.04170	6.2
181.04958	5.6
195.06575	33.1
223.74864	4.9
293.08249	6.0
309.07675	9.8
324.10226	5.9
369.13419	28.5
433.70535	5.4
517.18604	9.1
565.20868	35.3
643.39484	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	643.2391
Annotation	Buddlenol D
Peak:m/z	Relative Intensity
53.55014	3.4
68.99815	8.0
76.80252	3.3
92.19949	5.6
121.32429	3.6
128.03490	4.0
129.05569	5.8
134.54552	3.8
137.99596	3.2
138.03226	7.7
153.05565	30.7
168.04152	6.2
176.01164	27.6
178.02762	4.4
191.03450	35.5
192.04268	19.5
193.01433	21.6
193.05038	17.8
194.05930	29.2
195.06689	5.3
207.06642	65.3
208.03796	41.5
209.08151	29.5
223.06111	54.1
224.06815	4.5
524.30316	4.4
643.23993	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	643.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76533	2.0
53.76007	2.1
57.03448	3.1
57.64693	2.4
59.01376	67.7
60.49487	2.0
61.07228	2.4
61.15979	2.0
71.01375	64.1
72.99300	4.1
73.02928	13.9
75.00866	28.6
77.70458	2.4
83.01402	3.3
85.02930	34.3
87.00877	9.9
89.02432	28.0
91.92580	2.3
99.00855	12.3
101.02432	45.7
113.02428	59.5
115.00369	4.4
119.03476	3.6
121.63819	2.2
135.04485	3.7
157.13493	2.3
161.04549	18.2
189.12836	23.6
201.12866	9.4
218.12949	3.1
219.13884	44.5
289.16705	4.1
321.15613	2.6
421.20908	4.0
583.26123	99.2
599.23407	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	643.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52048	0.9
54.14349	0.9
57.42698	1.1
59.01367	5.1
59.28263	1.0
64.59338	0.9
75.27647	1.2
79.12461	0.9
87.00856	15.4
123.04499	64.5
124.01592	2.4
126.16848	1.0
138.05524	1.4
139.03998	6.4
149.06078	12.8
150.00107	1.2
151.03954	1.8
165.05527	18.2
167.03438	4.7
179.98941	1.1
184.83742	1.2
190.54704	1.1
193.05034	19.6
195.02968	24.8
197.03641	1.1
221.10141	1.3
255.05095	100.0
287.74014	1.4
321.10779	2.1
347.71216	1.1
352.55688	1.1
367.07288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76322	0.8
56.84010	0.9
58.64168	0.8
59.01371	1.9
71.01379	1.1
72.99283	1.0
85.02893	1.4
86.19829	0.8
87.97601	0.9
89.80427	0.9
93.03424	3.8
96.95981	1.4
101.02411	1.2
107.05021	8.6
119.05003	15.8
123.04548	1.0
126.62138	0.9
128.82083	0.9
135.04521	13.3
137.02429	18.9
137.06073	19.6
163.03990	10.0
173.77910	1.2
181.05061	100.0
291.14484	1.7
299.07666	2.2
325.04419	1.0
343.10339	58.9
410.81320	1.0
643.23706	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32501	0.3
78.40990	0.4
78.95887	0.4
79.95721	1.5
81.29642	0.4
96.95991	100.0
97.24522	0.3
117.72686	0.3
143.14027	0.3
165.05573	1.4
220.33434	0.3
286.38593	0.4
370.21338	0.4
610.62256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	10.1
59.01370	5.3
60.47517	0.8
66.91208	0.7
67.89087	0.8
70.02985	6.3
91.05522	9.9
128.78088	0.9
147.04514	21.2
164.07162	89.5
191.10216	1.1
206.08214	100.0
216.43918	0.8
234.55769	0.9
250.07220	3.5
347.16940	1.0
397.19571	0.8
553.68616	1.0
557.07831	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	641.391
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
50.25088	0.6
55.01857	0.8
57.03437	3.3
59.01387	7.8
62.29700	0.6
62.90840	0.6
71.01382	6.4
73.02927	4.5
83.01361	1.5
85.02945	6.0
86.20345	0.6
89.02409	1.7
92.19960	0.8
99.00874	0.9
101.02425	12.0
101.06059	3.5
101.82048	0.7
112.12188	0.6
113.02410	6.8
116.92865	1.2
124.23313	0.9
157.75839	0.7
160.62511	0.7
170.62582	0.8
190.64473	0.7
231.11438	1.0
454.10657	0.8
604.42914	0.8
623.38013	19.4
641.39130	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	642.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28934	2.2
55.57710	2.5
57.68575	2.4
59.01368	12.4
59.22997	2.6
64.60082	2.4
70.40183	2.4
71.01367	13.3
73.02939	4.4
79.37203	2.8
85.02938	3.4
85.84760	2.6
87.00872	21.2
89.02414	16.5
101.02419	23.5
105.26718	3.1
113.02433	12.1
119.03444	5.2
120.01231	30.8
135.08089	6.0
143.03410	5.1
153.09193	65.7
163.66505	2.6
197.08159	4.8
221.55565	2.7
323.09802	3.9
408.57486	2.9
521.18848	46.9
638.50238	3.0
642.20813	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	641.3913
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
50.14023	5.6
51.65409	4.2
52.88349	4.3
59.01394	12.1
62.40862	4.2
64.54082	4.6
71.01385	7.4
77.52221	4.6
89.02454	8.9
109.91791	4.8
113.02491	7.0
133.16150	5.0
201.72853	5.8
206.43712	5.8
461.32788	48.4
641.39221	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	641.3904
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
57.03458	1.1
59.01379	16.9
66.29724	1.2
71.01392	10.1
73.02950	1.4
75.12759	1.3
75.81255	1.0
85.02917	1.4
88.92253	1.1
89.02431	8.1
101.02422	9.3
103.06755	1.1
104.07892	1.2
113.02434	7.2
113.29280	1.2
119.03500	5.2
126.61637	1.5
127.99207	1.5
139.83458	1.3
200.42572	1.2
271.57281	1.3
304.42114	1.3
367.29901	1.4
375.29236	1.7
399.32687	4.5
461.32739	52.2
465.17249	1.6
469.57797	1.4
597.29523	2.0
641.39227	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	641.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.40968	1.2
80.59158	1.1
133.05316	5.8
134.06119	12.6
135.81638	1.3
160.03993	1.4
171.05704	2.4
181.47598	1.1
187.05128	15.3
200.05922	2.4
247.14529	32.0
257.12988	7.9
264.10242	2.0
273.12619	2.0
419.18533	5.2
504.22833	1.9
522.23920	15.7
567.29767	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.63464	1.0
65.98057	1.0
96.84254	1.2
103.87170	1.1
116.97532	1.1
133.05359	5.7
134.06081	12.9
139.08784	1.5
140.96346	1.1
160.04102	2.1
180.81110	1.4
187.05061	20.8
247.14505	25.1
257.12915	8.2
264.10309	2.6
279.11368	1.4
419.18530	6.3
504.22955	2.3
522.23993	14.6
549.28351	2.0
567.29730	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3184
Annotation	Arthrichitin
Peak:m/z	Relative Intensity
56.86411	1.1
59.01381	37.7
71.01372	30.5
73.02942	6.7
80.96503	2.1
85.02937	4.8
89.02439	40.8
92.19234	2.3
97.02950	1.4
101.02434	30.7
103.89553	1.3
104.24308	1.3
113.02438	15.6
119.03488	16.8
125.02425	1.7
131.03484	8.5
143.03432	1.7
159.02927	2.0
161.04517	15.1
179.05560	2.3
221.06630	8.5
393.24707	1.4
641.31879	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	641.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55641	0.8
58.64604	1.0
59.01379	100.0
63.45817	0.9
64.96029	1.0
76.82478	0.9
84.52316	1.1
120.76413	1.0
133.05261	3.5
134.06111	10.3
146.23453	1.1
160.04073	1.4
169.87840	1.3
171.05544	1.3
187.05136	15.3
247.14539	25.6
257.12912	7.5
260.47830	1.2
264.10257	5.0
273.10205	1.5
370.16699	1.2
394.03271	1.1
419.18433	5.0
474.31857	1.1
504.22687	3.9
522.24121	15.8
567.29779	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02787	1.1
59.01376	12.9
71.01377	5.1
73.02943	1.6
75.00907	1.1
77.82492	1.4
78.90104	1.5
79.40702	1.1
85.02930	2.9
87.00867	1.9
89.02429	1.7
101.02415	3.0
109.18226	1.4
113.02423	3.0
122.06134	1.4
124.07664	24.3
131.51608	1.3
136.07626	2.1
138.09267	12.2
149.09659	6.8
150.05614	1.3
154.08742	2.6
161.07129	9.7
167.47318	1.3
168.06671	14.1
168.10428	1.4
173.07213	6.9
189.10352	6.0
193.08704	1.9
205.13480	10.4
215.08267	100.0
231.11385	56.7
233.09264	23.9
241.09831	16.9
243.11319	14.5
249.12445	1.6
259.10910	2.6
368.19794	9.5
398.21017	1.7
428.21960	2.1
465.26645	1.7
531.88879	1.6
567.28363	6.2
597.29742	20.9
641.28461	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50928	1.8
51.27529	1.7
55.66912	2.0
57.79831	2.5
59.01369	11.6
71.01386	2.2
83.04998	2.9
85.02920	3.5
89.02406	2.6
121.95130	1.9
123.08157	18.1
125.09721	19.8
136.15784	2.4
141.09232	2.2
146.61649	2.2
151.07617	24.3
151.19313	2.2
169.08670	14.3
180.04289	2.5
195.06621	13.7
213.07680	100.0
419.16815	2.5
462.60867	2.2
576.99298	2.5
641.21075	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	641.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55347	0.8
59.01377	3.3
73.28675	0.7
74.35319	0.7
74.94817	0.8
77.14093	0.9
89.70903	0.8
97.02924	5.6
98.03719	1.7
101.02401	0.9
105.84679	0.8
109.63966	0.7
119.05008	77.8
163.03998	100.0
164.07130	1.0
201.10356	1.2
217.13573	1.1
271.18103	1.4
290.82874	0.9
300.14761	14.3
315.17200	21.1
325.09283	39.6
641.27979	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	641.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16955	1.0
51.05067	1.1
57.03445	1.7
59.01375	53.4
71.01374	46.1
72.99273	1.7
73.02939	16.3
77.81780	1.4
82.44955	1.2
83.01364	2.6
85.02923	16.1
87.00872	3.1
89.02426	68.2
95.01378	2.9
101.02422	47.8
113.02425	33.1
119.03455	20.1
125.02406	2.3
131.03482	17.7
143.03435	3.3
149.04510	9.9
161.04558	17.4
179.05560	8.3
180.96399	1.5
191.05605	7.0
221.73634	1.3
245.11641	1.4
311.09830	3.2
353.10791	7.0
419.19785	3.7
507.72162	1.7
581.24573	100.0
641.31451	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	641.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17615	1.2
53.16506	1.0
54.26811	1.0
54.49527	1.0
59.01378	59.6
62.14812	1.2
68.76470	1.1
71.01360	1.1
71.49515	1.1
92.19427	2.3
105.60587	1.2
157.66823	1.2
161.02434	1.6
176.04787	8.1
179.03569	1.8
191.07173	7.3
194.05844	36.5
198.39896	1.2
198.61601	1.2
209.08188	100.0
225.45975	1.3
419.11499	1.9
419.17169	52.2
464.36789	1.7
651.36609	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76062	2.0
59.01377	36.8
61.98840	2.2
65.07766	1.7
67.24343	1.7
69.05763	1.6
69.98032	1.7
71.01358	18.5
71.49744	1.7
72.05297	2.0
72.99294	2.0
73.02937	3.4
75.00859	24.5
75.01235	2.7
77.40536	1.8
82.79690	2.0
85.02924	21.5
87.00885	4.8
89.02413	4.3
97.18942	1.9
99.00861	8.9
101.02396	3.5
113.02435	37.1
116.92831	45.0
462.02469	1.8
597.25525	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	641.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40017	3.2
59.01376	13.5
60.09717	2.1
61.82137	2.5
67.75400	2.3
71.01373	6.0
89.02398	2.8
92.19424	3.5
101.02462	4.9
109.02956	6.6
113.02406	6.0
119.03490	3.7
122.03709	13.8
123.04510	16.2
123.05330	2.7
127.05120	17.5
128.03494	5.4
130.59215	2.6
134.02507	2.9
134.03687	5.1
149.02510	4.6
150.03217	46.7
164.03510	4.6
164.04765	3.1
165.05568	56.4
168.00616	11.7
178.51474	2.7
180.04298	5.4
183.02951	24.1
192.06674	13.2
195.06509	3.3
231.13322	3.0
237.08792	19.6
240.75340	3.0
277.11838	15.8
289.93625	3.4
295.13019	11.8
364.39618	3.2
401.17163	5.4
427.15134	3.4
451.28006	3.0
597.18317	3.9
641.22827	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	641.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	19.0
67.31365	17.2
86.75246	17.3
95.39410	19.3
97.05698	17.0
100.48465	16.9
107.03444	17.3
107.48326	18.2
115.79174	17.0
123.14635	19.0
125.86845	24.7
138.10800	20.3
181.05072	45.5
193.01352	35.4
203.03319	23.4
207.06627	87.7
208.03645	31.2
209.97842	24.1
218.05850	47.1
223.06148	26.2
233.08160	19.8
341.13956	30.0
524.65179	20.7
641.22650	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	641.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60293	0.4
58.86315	0.4
60.11971	0.4
71.01352	1.2
73.02464	0.4
73.02921	0.7
85.02934	0.8
88.05897	0.4
92.81295	0.5
93.03442	17.7
96.95999	4.4
101.02464	0.6
102.57195	0.5
113.02438	0.5
123.90035	0.5
125.60887	0.6
137.02429	100.0
163.43718	0.5
179.03410	0.5
221.65039	0.5
288.20059	0.5
299.07724	28.5
500.07034	0.6
641.19080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29051	3.0
69.14088	2.6
71.68873	2.9
78.43017	3.0
92.19941	4.2
105.31408	2.7
183.13895	4.0
215.45694	3.3
251.20204	6.7
269.21249	100.0
274.59909	2.9
386.03021	3.4
398.92987	3.1
581.28003	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	640.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58528	0.4
79.95749	1.2
96.95999	100.0
109.15244	0.5
146.08298	1.0
180.03313	1.8
203.20955	0.7
234.84016	0.6
255.60286	0.5
542.20746	4.8
587.18201	0.6
640.18341	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	641.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15091	0.3
58.62886	0.4
59.01372	2.2
59.05982	0.3
62.73395	0.3
71.01373	1.5
72.76391	0.4
77.48937	0.4
79.17879	0.4
89.02444	2.8
93.03442	29.4
101.02434	0.9
113.02433	0.5
119.03482	0.9
126.47173	0.4
137.02434	100.0
230.13345	0.4
299.07712	12.1
311.03888	0.4
340.74768	0.4
341.10907	6.7
387.70425	0.4
641.19128	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	639.3754
Annotation	Cilistol j
Peak:m/z	Relative Intensity
51.22350	0.6
57.03450	1.1
59.01381	17.0
71.01376	10.4
73.02920	0.9
75.00864	1.5
85.02952	3.7
88.05255	0.7
89.02435	10.9
95.01366	0.9
101.02426	9.4
113.02451	6.4
116.69013	0.6
119.03480	5.9
357.28070	2.5
379.30014	0.8
397.31024	8.6
401.27130	0.9
443.31744	1.1
459.31149	57.2
477.32327	1.5
595.23608	1.4
621.36676	2.6
639.37659	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	639.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67032	2.0
59.01373	19.5
61.98819	3.1
68.05415	2.5
71.01373	14.1
72.55218	2.2
73.02920	3.9
75.00859	21.6
85.02947	31.8
87.00844	4.5
92.19953	2.6
95.01355	2.9
99.00848	5.5
101.02433	5.7
113.02444	33.5
114.06042	2.1
118.45408	2.3
119.72697	2.6
138.21762	2.2
180.06630	3.3
290.87231	2.5
301.21793	25.2
345.06403	2.7
399.93948	2.7
434.09183	2.5
435.09973	4.7
591.94470	2.5
639.30206	100.0
639.39789	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	639.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23963	1.0
59.01381	21.3
71.01380	21.4
73.02945	1.9
82.98936	1.3
83.01378	1.3
85.02943	5.3
87.00874	5.0
89.02419	4.8
92.19306	2.8
99.00866	1.8
101.02412	10.0
105.03483	1.1
113.02422	8.3
119.03452	2.4
125.02441	2.0
167.37193	1.2
211.17043	1.9
229.18057	32.0
238.59666	1.3
271.18817	1.7
283.46323	1.3
354.66370	1.3
373.22449	18.3
391.23392	58.6
396.65509	1.3
433.24374	2.7
459.31317	1.7
462.61935	1.3
535.27881	1.7
545.22052	1.6
553.28656	3.0
595.29742	100.0
639.38129	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	639.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	30.0
60.49537	3.7
71.01371	16.2
73.84844	3.6
89.02436	14.3
94.62374	3.8
101.02428	8.7
106.58917	3.9
116.92835	3.8
117.18906	3.7
119.03428	4.0
119.48917	4.0
124.79778	4.0
154.35794	4.5
229.18127	35.1
322.52765	4.0
322.59033	4.7
373.22375	17.3
391.23468	63.6
461.38965	4.5
595.29956	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	639.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
59.01379	27.7
61.43977	0.9
71.01373	23.8
73.02937	7.0
78.08865	1.1
83.01378	4.3
85.02944	9.0
87.00874	1.8
89.02428	25.4
92.28721	1.1
95.01370	1.5
97.02946	1.5
99.00881	2.0
101.02433	25.5
113.02431	24.3
119.03449	10.4
119.56299	1.0
125.02437	1.9
131.03464	2.2
143.03458	1.8
159.02956	2.4
161.04549	15.2
179.05661	1.4
181.12296	2.7
189.12761	1.8
201.12808	1.5
202.32158	1.2
207.13908	1.3
219.13911	11.6
221.06721	8.1
221.08606	1.2
235.08231	3.9
255.15901	1.1
337.10709	1.2
385.81351	1.3
399.14758	1.3
416.07159	1.1
417.15741	2.0
417.21167	9.9
579.26630	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	639.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14393	0.7
57.35467	0.7
59.01367	6.0
59.54132	0.7
83.58456	1.0
86.40325	1.0
114.73543	0.8
123.08148	25.1
125.09702	18.5
133.06578	1.4
141.09190	1.1
151.07620	26.2
155.73285	0.9
167.07076	1.2
169.08661	14.4
195.06630	3.4
202.94373	0.9
213.07683	100.0
244.05748	0.9
396.66324	0.8
451.70273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08889	0.9
51.23773	1.0
55.34401	1.1
55.89491	0.9
57.03446	2.2
59.01379	31.5
65.10047	0.9
71.01373	18.2
72.99300	2.4
75.00858	28.0
75.39626	1.0
83.01395	1.8
85.02941	25.1
87.00860	6.5
87.04501	33.6
89.02431	2.4
95.01376	2.3
99.00881	9.9
101.02424	4.6
113.02436	29.8
115.00378	2.1
117.01922	1.8
150.70430	1.1
175.02498	1.3
206.77750	1.0
266.12122	1.2
291.92905	1.1
459.31277	4.4
462.03687	1.1
595.25977	100.0
639.27551	1.9
639.37439	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	639.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27716	1.4
59.01380	29.4
71.01369	31.6
73.02948	11.4
74.85226	1.4
81.09427	1.9
83.01368	1.9
85.02944	11.5
86.81245	1.6
87.00840	7.3
89.02429	30.8
95.01354	2.2
95.15863	1.8
96.95961	7.4
98.95542	7.5
99.00833	2.3
101.02428	40.4
113.02451	25.0
117.45905	1.7
119.02315	1.7
119.03444	9.0
131.03505	14.6
131.07088	3.3
131.39610	1.7
133.01462	1.6
137.82262	1.6
143.03404	2.5
147.08121	2.6
159.02893	1.6
161.04552	17.8
164.07088	2.8
173.06009	2.6
179.05580	3.8
184.40614	2.0
205.33614	2.1
206.93857	3.1
221.06761	12.6
251.18675	1.8
279.10086	3.6
297.08228	2.7
297.11307	59.9
299.85068	1.9
303.36072	1.7
315.12259	2.2
509.22174	3.5
511.39859	2.0
551.23444	7.7
595.25348	4.0
639.11469	3.4
639.22833	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	639.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38516	3.9
58.76149	4.2
59.01372	23.9
87.88834	4.1
92.85477	5.1
108.68141	5.1
149.02405	75.3
164.04756	6.7
168.67136	4.7
297.90512	5.1
321.66727	6.3
323.09256	6.6
323.12701	5.3
337.10751	5.9
339.08823	49.9
369.13565	35.7
429.62808	5.2
517.18646	100.0
577.21045	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	639.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	38.5
59.43211	1.5
59.43927	1.7
65.48121	1.7
73.02930	9.9
74.84538	1.9
83.34062	1.9
85.02924	3.6
101.02428	9.6
110.75957	2.2
113.02393	7.6
164.04749	2.9
165.01866	4.0
165.05560	22.7
166.06345	28.9
174.19025	2.3
178.63734	1.9
181.08655	24.8
195.06563	2.6
209.04411	3.7
224.06883	28.9
225.07669	100.0
239.09210	16.9
271.15393	2.1
325.12854	11.1
343.13953	7.1
403.16528	2.6
435.16293	2.7
579.20911	11.8
595.23810	26.1
595.32373	3.1
597.21832	14.0
639.22906	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89769	1.4
58.02959	4.2
59.01381	28.4
65.81557	1.4
70.02964	9.0
70.91962	1.5
71.01366	8.5
73.02934	3.1
74.02468	29.4
79.56152	1.8
83.01375	1.9
85.02948	2.2
87.00883	5.9
89.02428	2.9
98.02482	3.5
101.02435	8.2
113.02421	3.5
114.04343	1.9
116.03578	13.6
116.05038	2.7
145.02948	11.8
149.08250	1.8
156.02414	2.1
161.06030	3.0
162.03215	8.0
164.04781	2.4
164.96503	1.9
165.01921	3.4
165.05568	1.7
166.02695	11.2
174.70914	1.8
176.04832	1.6
177.05530	7.3
177.98929	1.7
179.03462	12.3
180.04271	39.1
181.05061	22.2
187.07582	2.3
190.06387	2.2
191.03549	2.9
192.04225	1.9
193.05092	2.9
194.05838	19.6
195.06624	100.0
197.11823	28.3
203.08279	52.9
204.04314	2.0
204.08476	3.8
205.05147	3.7
205.08720	3.0
206.05864	14.9
207.06673	2.9
221.08205	20.4
241.10722	2.1
243.10147	12.5
245.06940	3.6
245.09300	66.9
246.09683	8.9
247.09854	7.7
253.82010	1.7
261.11255	2.7
323.09259	4.0
331.08090	1.8
338.11661	3.9
349.09253	27.2
354.10867	2.7
357.09872	2.6
372.11972	4.4
387.14554	20.6
417.15424	9.5
429.80783	1.9
447.16522	34.3
450.35638	1.9
459.16516	2.5
477.17685	86.5
595.20129	27.1
639.24805	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	639.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.4
70.43930	3.1
71.01360	3.7
73.59953	2.9
76.82556	3.3
86.53303	3.2
87.00861	88.9
138.03156	3.1
164.04745	3.3
165.01906	7.1
166.02673	20.2
179.03412	17.3
180.04271	47.1
181.05034	29.2
194.05861	20.6
195.06630	100.0
206.05850	13.0
207.06610	3.7
221.08243	24.6
323.09201	5.5
338.11691	5.6
387.14697	25.1
389.05060	3.8
417.15634	5.2
447.16617	34.9
477.17657	89.8
515.50409	3.0
564.86261	3.5
571.30988	3.6
645.25421	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	639.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55728	1.2
59.01373	24.2
62.92855	1.0
63.00093	1.0
73.02927	16.4
79.20676	1.1
89.02397	1.3
101.02448	2.2
105.29854	1.2
137.02444	1.4
143.05002	7.2
149.06032	5.2
152.44427	1.2
153.05562	1.9
164.04787	4.9
165.05539	21.4
166.06322	22.9
179.07097	1.3
181.05038	2.3
181.08687	6.2
195.06464	1.4
208.03677	2.5
209.04446	11.4
223.06091	5.3
224.06868	52.8
225.07683	100.0
239.09230	63.1
249.07591	1.3
435.16599	56.1
524.88794	1.4
595.33881	2.2
639.22906	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13208	1.5
59.01377	41.6
61.22390	1.6
62.50491	1.6
71.01369	15.0
73.02938	22.3
83.01402	2.2
85.02931	3.7
89.02425	9.3
92.19955	3.2
99.00848	2.3
101.02441	21.3
113.02425	15.1
119.03490	3.0
147.96681	1.7
148.04033	1.6
149.04474	2.2
161.04639	14.5
161.05923	1.8
163.95493	1.9
175.04895	2.0
176.05475	1.9
177.05617	2.0
179.05554	6.1
179.07130	6.6
181.05055	37.7
196.07407	100.0
209.92838	1.5
211.09752	78.5
221.06731	7.3
225.07681	7.3
238.08359	2.3
244.09729	3.1
253.10957	2.0
279.41959	1.7
329.95914	1.8
341.12344	3.3
366.97092	1.7
467.43921	1.8
471.18741	2.8
472.19711	3.7
535.21960	16.8
595.24500	7.0
621.29443	2.2
639.27832	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	639.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06858	2.7
58.34928	3.1
59.01381	100.0
59.98518	3.2
64.30878	3.0
71.01383	30.0
73.02943	20.3
74.86095	3.9
83.01408	4.4
85.02936	19.1
87.00840	4.3
89.02451	6.4
99.00906	3.4
101.02452	33.6
111.00829	5.5
113.02420	38.9
125.02429	4.1
143.03404	4.4
151.65245	3.9
161.04527	6.0
221.06595	4.0
267.06549	4.5
305.16309	8.3
449.20126	15.4
457.74548	4.3
491.21228	15.1
509.22424	50.2
551.23462	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53660	2.7
52.18248	2.7
52.97239	2.5
55.32393	2.7
55.51175	2.7
59.01374	100.0
66.83943	2.6
71.01372	36.9
73.02933	14.6
85.02934	18.2
85.18655	2.5
89.02404	26.5
101.02428	26.2
111.70987	3.0
113.02444	39.9
117.59644	2.9
119.03465	15.3
161.04451	2.6
181.73285	3.6
243.21724	3.2
274.40094	3.6
431.19165	20.3
449.20334	32.7
467.21567	4.0
491.21259	48.7
509.22198	29.6
551.23285	3.8
639.25201	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	639.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.26234	1.8
64.13547	1.6
69.03413	2.0
71.01375	36.9
73.02937	15.8
75.00869	1.9
83.01392	3.3
85.02940	20.4
87.00846	3.1
89.02425	33.0
92.19301	3.4
95.01360	8.3
96.95995	1.9
99.00832	2.2
101.02433	26.2
113.02428	43.4
116.39172	1.8
119.03463	11.9
125.02494	2.9
161.04590	2.4
174.53676	1.7
181.05092	2.1
294.47748	1.8
431.19223	24.3
433.53275	1.9
449.20227	31.0
467.21414	4.4
491.21387	46.9
509.22366	34.5
551.23517	8.9
595.22290	2.5
612.18500	2.0
639.24182	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	639.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46643	6.4
59.01376	32.5
60.73489	5.7
63.02898	6.9
66.38915	7.0
71.01376	15.6
71.87627	6.6
75.00864	12.4
83.01369	6.5
85.02933	14.0
87.00835	7.1
89.02428	15.2
89.42881	5.9
97.02966	7.3
99.00848	8.6
101.02428	11.7
109.78699	6.9
113.02454	52.8
115.79807	7.1
121.02940	6.9
123.04524	12.4
125.02377	8.0
147.04495	8.6
164.07173	11.9
165.05536	15.5
167.03497	61.9
179.03487	12.2
195.06493	7.2
197.04605	14.2
209.04549	100.0
221.04556	34.4
239.05637	61.9
251.05626	93.4
263.05429	9.0
281.06662	59.3
289.79071	6.7
297.11905	8.7
311.07657	12.5
381.09656	10.8
399.10757	45.1
429.11951	28.5
501.14197	24.8
510.10855	7.1
519.15228	62.5
574.08838	7.1
639.21204	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95989	2.0
59.01373	10.7
71.01368	12.3
73.02911	3.8
85.02938	7.6
96.95996	15.7
98.53730	2.0
99.00880	3.1
101.02427	15.4
107.05022	84.1
113.02426	11.3
119.04174	4.2
119.05009	100.0
133.63354	2.0
151.03958	4.6
153.20183	2.0
161.04494	5.0
162.31363	2.1
163.03976	47.7
194.74506	2.2
203.38573	2.3
215.00090	2.5
217.73512	2.2
303.92850	2.1
313.09274	49.4
325.09198	50.6
595.19940	2.9
611.13678	2.5
617.35767	2.4
639.25745	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	638.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45087	0.8
71.72492	0.8
74.79830	0.7
89.97262	0.8
98.08791	0.9
99.92573	100.0
100.93349	8.1
109.01823	0.9
115.92062	5.1
116.92826	4.7
122.96545	1.1
151.74632	1.0
275.20096	1.8
277.21701	11.8
328.59189	1.0
342.12881	1.8
360.13928	14.5
393.13724	1.6
457.51044	1.1
638.36462	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
57.03450	1.0
59.01374	21.6
60.47881	0.8
63.27798	0.9
71.01373	20.8
72.04562	1.5
73.02946	13.0
76.26839	1.0
83.01389	7.5
84.08291	0.9
85.02944	14.6
88.04053	1.0
89.02371	1.4
94.86833	1.1
96.96008	1.3
99.00867	4.7
101.02435	54.4
113.02432	11.6
129.01874	1.6
129.57930	1.0
130.06609	26.2
142.06570	1.2
154.12321	7.9
159.02933	1.3
161.04498	1.5
172.07628	6.1
174.05630	1.0
188.07176	7.8
198.11342	11.2
200.07185	13.4
214.08679	1.7
246.69336	1.2
261.20944	1.0
276.65024	1.1
292.11920	24.1
296.11371	4.0
336.10931	100.0
350.12482	7.0
638.22601	3.9
638.31177	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	638.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04464	0.7
58.00600	0.7
59.01384	11.8
61.50309	0.9
99.92595	1.7
111.00922	1.0
111.68161	0.8
116.92842	100.0
141.01663	6.5
153.51460	0.8
187.20003	0.8
216.06506	0.9
253.13896	0.8
612.60291	0.9
620.43481	1.0
638.27972	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	638.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11791	2.2
61.43687	2.1
63.15602	2.6
66.79339	2.2
69.66200	3.0
84.20103	2.6
91.55986	2.5
92.27689	2.8
114.32121	2.9
116.92839	100.0
120.99693	2.5
160.84178	17.2
166.98116	2.7
184.94920	2.2
220.77278	2.5
336.80292	2.7
368.17490	3.0
477.09778	2.9
550.16992	2.6
658.09119	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	638.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45967	1.1
53.16342	1.1
59.01374	9.2
71.01378	20.4
72.04540	10.2
73.02912	1.3
84.40544	1.3
87.00837	1.6
88.04029	9.2
89.02434	6.8
96.95988	6.8
97.02930	1.6
101.02436	6.7
113.02425	7.2
115.00357	23.0
115.63317	1.5
119.03515	1.5
119.27741	1.6
137.09738	2.4
154.12375	21.0
155.10760	30.9
167.03613	1.7
173.10793	13.2
174.11183	5.9
198.11372	49.9
199.09782	12.9
212.12956	3.2
240.12363	2.6
241.10939	2.6
252.12523	5.7
269.08340	1.6
270.08426	1.7
270.13504	15.5
271.14603	6.3
272.15018	6.2
312.14645	2.2
359.15652	1.5
458.11584	1.9
523.20801	2.6
584.36920	1.5
638.23163	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	637.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04110	0.9
59.86773	0.8
59.87122	0.8
62.49860	0.9
72.22348	0.8
80.52630	0.9
82.75539	1.0
91.53006	0.9
96.29723	0.8
153.19238	1.0
165.12849	18.0
179.47852	0.9
194.38791	0.9
247.20642	14.0
270.42377	1.1
273.18567	7.8
291.19672	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	637.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63348	0.7
57.03453	1.2
57.13062	0.8
57.70519	0.9
59.01376	18.8
60.38676	0.8
71.01371	10.1
80.69462	0.8
85.02942	1.6
89.02435	10.8
92.19876	1.3
101.02434	8.8
113.02420	5.6
119.03481	1.8
123.08141	1.2
128.60866	1.0
167.36024	0.9
231.07550	1.0
292.74405	0.9
329.24683	1.1
355.26273	1.8
395.29416	11.1
409.75195	0.8
439.28314	1.2
457.29636	58.8
549.28931	1.6
581.11340	1.0
592.39160	1.2
637.36011	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	637.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36035	21.8
55.08329	23.3
57.90306	23.3
75.61913	23.8
80.30775	23.1
89.75732	32.0
114.68584	27.9
116.07163	37.3
143.08101	27.3
143.66943	25.0
193.95355	28.7
225.15971	99.1
231.68626	30.1
325.21384	100.0
468.69696	26.4
597.68390	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62660	1.1
57.03446	6.3
59.01375	100.0
60.87129	1.4
63.06833	1.1
66.15260	1.3
70.35059	1.3
70.54537	1.2
71.01370	8.3
72.99292	1.9
73.02926	6.3
83.01371	1.8
85.02938	4.6
88.39440	1.2
92.19949	1.6
98.93539	1.3
101.02412	9.9
109.79587	1.3
113.02417	8.1
119.05046	1.3
125.02491	1.5
127.00382	1.7
131.47670	1.5
151.00337	1.6
161.04671	2.6
175.05066	1.7
178.56960	1.2
187.09753	56.2
227.12814	1.8
245.09193	3.2
245.13890	2.6
265.80600	1.3
271.06302	1.6
470.18866	2.4
513.26782	1.5
535.26306	1.6
575.31128	7.1
577.28473	2.3
593.31897	84.1
600.31360	1.6
637.16888	2.6
637.27716	9.6
639.59918	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	637.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	49.0
64.00719	4.4
71.01358	11.4
83.36551	4.8
85.02933	13.0
87.00832	9.6
93.82590	5.3
96.91087	6.7
101.02448	8.4
113.02413	6.7
115.44502	5.5
117.32519	6.1
126.76995	6.0
132.64293	5.6
167.75955	5.3
180.28401	6.2
243.08774	6.2
285.20660	30.4
297.49979	7.3
366.05154	6.1
396.92050	6.7
429.25214	6.9
447.25970	46.2
465.27103	7.6
489.26883	28.1
507.27997	12.4
549.29144	100.0
655.66235	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	637.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08809	6.5
59.01371	8.2
77.45888	7.3
79.78440	8.0
98.99502	8.1
122.66304	7.6
158.40564	9.6
182.68326	8.2
278.10062	7.2
305.93604	7.7
403.37100	7.9
548.65613	7.9
637.29956	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	637.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82290	1.4
59.01373	24.9
71.01376	18.3
73.02932	2.2
76.41351	1.5
83.88493	1.5
85.02943	7.5
87.00868	2.0
88.98796	3.6
89.02414	21.0
95.01373	2.2
96.95990	49.3
97.02946	16.1
99.04451	2.2
101.02414	15.7
113.02439	18.3
119.03493	11.5
119.05002	2.6
124.82190	1.5
142.06595	2.5
143.03549	2.4
149.02437	11.2
161.04550	11.3
173.10818	100.0
179.05669	16.9
196.38930	1.6
201.14351	1.7
203.05539	1.8
221.06628	3.4
227.15518	31.7
251.07130	3.2
257.16653	3.7
263.07651	11.4
269.08246	21.1
271.11575	3.2
271.14511	97.1
295.06055	20.9
311.66010	1.6
313.15598	7.1
433.19653	1.8
475.13193	1.8
475.20633	11.6
546.05511	1.7
593.19122	1.8
637.17688	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	637.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.2
59.01379	31.6
62.49712	1.0
62.78486	1.0
65.98183	1.0
70.08557	1.1
71.01372	26.4
72.04520	1.0
73.02937	12.6
78.85031	1.2
83.01376	2.1
85.02946	6.7
86.00112	1.4
87.00866	5.4
89.02425	19.7
96.95992	12.2
98.95555	5.2
101.02438	29.9
113.02418	21.3
119.03471	5.8
131.03465	11.5
134.03787	1.5
147.11774	3.0
153.48683	1.5
161.04570	18.1
178.02638	2.1
189.92061	1.4
193.05093	7.6
217.61491	1.2
221.06723	9.3
248.68025	1.3
285.46634	1.5
286.03452	1.5
291.85083	1.4
294.30481	1.2
305.92828	1.4
361.99652	1.3
391.10336	1.4
430.50333	1.4
473.79791	1.5
479.91510	1.7
593.24493	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	637.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19997	1.3
57.03441	21.4
59.01378	39.2
71.01369	5.9
83.39299	1.4
89.02427	9.3
99.04509	38.6
101.02422	15.8
102.60450	1.7
113.02397	2.8
115.00378	2.6
115.03999	2.1
119.03477	2.0
125.02423	14.5
133.01422	7.5
133.05035	6.7
151.06104	26.0
161.04541	16.2
164.37642	1.7
193.07152	6.3
198.29553	1.5
231.12773	1.7
251.07870	2.0
295.10336	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	637.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77114	0.9
58.02963	4.7
59.01377	2.6
70.02959	6.7
74.02464	34.0
78.26646	1.2
89.41039	1.0
98.02450	6.2
113.89504	1.4
116.03511	17.6
116.05008	7.7
129.49933	1.1
159.09267	2.6
201.10294	6.1
203.08257	68.0
245.09285	100.0
289.08191	1.3
295.06161	1.3
471.62378	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	637.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69740	10.3
59.01389	84.4
71.01377	21.5
73.02913	21.0
73.66131	10.2
92.20018	14.6
101.02429	27.5
113.02419	17.2
141.27017	11.8
164.04887	37.6
179.07129	76.2
208.03737	24.8
223.06099	100.0
261.26990	10.9
341.10138	16.4
381.77554	13.2
563.21136	24.0
575.21606	44.5
593.22491	27.8
644.85388	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	637.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34804	1.9
59.01381	31.0
60.58155	1.7
63.01702	2.1
71.01374	9.9
74.27293	1.9
75.00875	2.4
76.68502	2.3
85.02950	4.0
101.02410	9.8
105.73025	1.9
108.09499	2.2
110.22295	2.5
113.02370	2.4
118.37711	2.1
124.01602	2.3
138.09265	2.1
145.02960	2.1
149.02411	13.1
150.05603	2.6
163.34750	2.1
164.04770	26.4
170.48944	2.1
171.97816	2.1
179.07129	13.9
193.01369	9.0
208.03754	72.4
215.08272	2.7
215.12903	2.3
223.06108	100.0
233.09270	10.0
241.09842	3.7
241.46045	2.1
243.11288	2.0
259.11124	3.3
260.02133	2.4
290.91989	2.2
367.11615	2.6
371.11490	21.0
383.11282	27.0
386.13702	32.1
398.13641	8.1
401.16037	48.3
413.15924	28.3
577.28442	3.2
593.32098	28.0
607.26947	11.5
612.33990	2.9
637.27966	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	637.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15337	1.5
59.01371	24.9
61.07969	1.3
68.77388	1.3
71.01374	15.9
73.37412	1.5
85.02924	1.8
87.00863	8.6
89.02429	15.3
90.68424	1.5
93.03415	16.6
96.96005	1.8
99.11674	1.5
100.62323	1.6
101.02417	11.1
113.02419	9.0
119.03461	2.5
119.04919	1.7
119.69353	1.6
145.06549	2.9
151.03958	7.9
181.05048	7.4
188.47151	1.6
197.09566	1.5
204.89604	1.6
221.06644	2.2
223.07658	18.0
235.07617	2.6
239.10709	18.8
251.10768	11.4
258.44354	1.8
265.08679	9.7
277.08704	10.0
283.09760	100.0
295.09729	34.5
387.14584	3.5
517.27313	1.8
580.58881	1.9
593.24866	14.7
637.21429	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16782	2.0
56.19914	2.0
59.01368	23.5
71.01367	19.2
72.99309	17.8
73.02924	3.6
75.00856	16.8
85.02942	27.0
87.00867	5.2
89.02445	17.6
92.19342	4.1
95.01385	4.2
97.02916	2.3
99.00832	4.3
101.02426	11.9
103.00363	10.9
113.02432	60.6
117.01939	2.4
131.03503	15.5
133.01404	2.5
146.05058	2.2
151.07634	5.3
157.01456	3.0
175.02475	3.5
193.03511	38.3
235.04549	26.2
281.11905	21.6
283.09644	2.9
285.40314	2.6
309.47342	2.3
327.94907	2.3
337.07770	9.0
355.08755	14.7
637.21277	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	637.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01376	2.4
56.18765	2.4
59.01082	4.7
59.01374	100.0
63.11737	2.7
69.03485	2.9
71.01366	29.7
73.02937	50.1
83.01373	4.4
85.02924	13.2
87.00895	2.3
89.02428	15.3
97.02915	3.8
99.30866	2.6
101.02426	37.5
104.67113	3.0
113.02417	26.2
133.01411	3.8
157.17534	2.9
161.04555	3.9
179.07130	67.0
257.87540	3.0
303.72708	2.7
311.09274	3.2
341.10342	4.2
356.12582	4.2
371.14777	4.3
389.16107	16.6
440.48340	3.3
501.64273	3.5
521.20166	2.7
533.20142	16.1
563.21399	19.6
575.13416	3.3
575.20892	22.7
593.22406	62.0
593.31818	30.1
621.80780	3.3
637.25262	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	637.181
Annotation	Glycobismine-D
Peak:m/z	Relative Intensity
58.99582	5.9
59.01382	22.1
71.01376	13.3
73.02935	2.0
74.26749	1.2
85.02948	1.8
87.00842	6.0
88.04037	2.0
89.02435	19.4
96.95966	1.7
101.02431	15.3
102.17717	1.2
104.05671	1.2
113.02469	8.8
119.03460	5.2
120.99630	27.4
125.02422	2.9
131.03432	1.6
138.03207	5.7
153.04419	1.5
153.05573	32.0
153.06749	1.3
161.04524	1.7
203.05444	1.4
210.03502	9.6
225.05902	29.5
593.20892	1.7
637.17957	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	637.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.8
59.01374	15.2
60.05337	1.5
60.05643	1.8
61.50242	1.9
69.32561	1.7
71.01376	26.0
73.02949	2.3
74.02454	8.2
75.00854	21.5
78.95903	3.9
85.02942	25.3
87.00867	10.4
89.02425	2.2
95.01377	3.4
96.95989	71.5
96.96956	9.6
98.02422	2.5
99.00869	14.5
99.35191	2.0
101.02444	7.1
107.68163	1.8
112.01682	2.7
113.02451	36.1
113.64673	1.7
117.01906	3.6
199.47031	2.1
203.08231	13.0
208.03719	2.9
245.09218	19.3
246.50162	2.0
269.04526	2.0
269.11749	22.1
281.11887	22.0
299.05618	3.3
333.19333	1.9
346.13214	2.1
358.85382	2.0
431.17117	17.4
438.46204	2.0
440.99744	1.8
443.17078	4.0
528.88129	2.5
607.20551	3.0
637.21484	100.0
637.32001	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	637.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09793	0.9
59.01364	4.7
59.89102	1.0
71.01373	2.0
77.57277	1.1
88.08336	1.2
89.02414	4.5
92.19420	1.8
93.18616	1.1
101.02354	1.3
107.91110	1.1
119.04987	2.4
121.27528	1.4
123.04524	2.0
128.31499	1.3
145.02934	4.7
149.02406	7.0
161.02382	2.7
173.62297	1.4
175.03958	15.3
189.01881	2.3
193.01398	2.5
201.01924	4.7
227.07101	1.8
251.07147	28.8
253.05034	2.2
253.87103	1.2
267.06668	2.6
269.08173	33.3
269.35492	1.2
277.05078	1.6
295.06113	100.0
355.08044	5.8
374.90259	1.3
637.17755	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93336	0.7
55.72715	0.6
58.07176	0.6
59.01368	3.7
60.20024	0.7
61.19510	0.7
71.01364	3.1
85.02943	1.1
89.02420	0.9
95.52069	0.7
96.95997	1.7
101.02413	2.9
113.02424	1.1
119.05013	11.3
149.02425	1.5
156.21008	0.8
163.03979	11.0
164.04744	7.1
169.96800	0.9
179.07129	7.1
185.27881	0.7
195.03122	0.9
208.03767	32.9
223.06110	100.0
260.60132	0.7
311.07715	25.4
325.09225	3.4
372.88766	0.8
593.24805	3.9
666.08856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82099	0.4
59.01380	3.8
59.74117	0.4
62.01725	0.6
65.18735	0.5
71.01378	3.7
71.96219	0.4
73.02918	1.0
86.01391	0.5
89.02429	3.1
93.03451	3.1
96.96000	2.2
99.00838	0.9
100.82735	0.5
101.02425	2.4
113.02457	2.6
119.03490	1.1
131.03481	0.7
145.02899	0.8
149.02399	0.7
161.02444	2.1
161.04579	2.2
175.03996	9.5
179.05643	0.9
181.06664	1.9
189.01984	0.7
201.01904	5.3
202.02780	0.5
207.08118	0.8
208.91098	0.5
209.06084	0.8
221.06659	0.7
223.07584	1.1
227.07109	0.8
229.82082	0.5
233.06071	0.8
251.07133	32.9
253.05049	2.5
263.07532	0.7
267.06656	0.9
269.08276	0.8
277.05130	2.5
293.04581	1.0
295.06122	100.0
428.85431	0.5
438.79324	0.6
507.21048	0.7
637.17004	3.8
637.28162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01381	7.9
71.01371	10.4
72.99299	1.4
75.00873	0.7
84.56647	0.7
89.02443	6.6
99.04501	6.3
101.02401	3.1
105.86887	0.8
106.40649	0.8
106.80860	0.7
115.00359	38.3
119.03486	1.0
125.02441	1.5
133.01419	100.0
133.05055	1.1
135.04510	3.6
148.67102	0.7
151.06096	4.0
161.02446	9.0
161.04564	3.3
179.03468	13.5
237.06200	1.1
295.10352	22.5
341.08707	8.7
503.14072	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	637.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45269	0.8
71.01360	8.1
72.99296	1.0
92.20044	1.2
104.21807	0.9
104.94434	0.9
115.00357	39.0
118.70854	0.8
133.01418	100.0
135.04507	3.7
136.86633	1.0
140.79077	1.1
161.02454	16.9
161.88496	0.9
176.50603	0.9
179.03525	8.5
341.08685	9.7
503.14102	18.8
504.23853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45269	0.8
71.01360	8.1
72.99296	1.0
92.20044	1.2
104.21807	0.9
104.94434	0.9
115.00357	39.0
118.70854	0.8
133.01418	100.0
135.04507	3.7
136.86633	1.0
140.79077	1.1
161.02454	16.9
161.88496	0.9
176.50603	0.9
179.03525	8.5
341.08685	9.7
503.14102	18.8
504.23853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90202	0.6
57.66261	0.6
61.47001	0.7
69.26729	0.7
71.01376	8.1
72.99279	1.1
73.80042	0.6
78.24613	0.7
87.00844	0.8
89.02401	1.4
90.10764	0.8
102.38249	0.7
105.43161	1.0
115.00354	39.3
120.49055	0.6
133.01418	100.0
135.04478	4.3
149.48373	0.6
161.02449	15.3
179.03477	15.3
240.89847	0.7
242.78865	0.7
341.08749	9.7
352.26425	0.7
503.14166	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	637.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.9
71.01377	2.7
75.00168	0.4
75.00904	0.7
78.95890	3.2
79.95714	1.0
84.56446	0.4
85.02954	1.9
88.98801	0.8
89.02431	0.9
89.34004	0.5
96.95995	100.0
96.96887	6.8
97.02990	0.5
97.14742	0.4
97.36340	0.5
101.02425	2.5
110.19929	0.4
113.02430	2.5
131.03487	0.6
136.95029	0.5
161.04597	1.8
167.42706	0.6
269.11884	0.8
276.23218	0.5
284.03125	0.7
295.06213	0.9
302.39658	0.4
319.94864	0.5
577.28650	0.7
587.16925	0.5
637.21478	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	637.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65513	0.6
53.50220	0.6
57.03447	4.6
59.01377	11.4
63.41412	0.7
65.27474	0.7
66.39099	0.7
71.01369	8.7
73.91483	0.7
74.67090	0.9
82.01723	0.8
89.02427	5.2
99.04510	8.8
101.02424	4.5
113.02429	0.9
115.00355	34.1
119.03488	1.1
125.02419	3.7
132.31725	0.8
133.01418	100.0
133.05110	1.0
143.03430	0.8
151.06143	5.9
152.75694	0.7
161.02448	1.0
161.04538	5.1
193.07187	1.2
251.07826	1.3
295.10339	25.2
358.71146	1.0
568.88043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00040	0.9
58.02971	13.5
59.01365	6.3
69.01972	1.1
70.02965	6.9
71.01366	4.1
73.02937	1.1
73.05358	1.0
74.22361	1.1
83.47674	1.1
89.02415	4.2
90.67006	1.2
91.05513	10.7
92.20000	1.2
98.20470	1.3
101.02393	2.4
115.32020	1.3
147.04486	18.4
164.07153	80.5
177.68073	1.1
195.35355	1.2
206.08206	100.0
247.42000	1.2
250.07127	6.6
410.65814	1.1
514.68396	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	636.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73119	0.2
57.42087	0.2
58.82142	0.2
71.30927	0.3
78.56157	0.2
78.92742	0.2
99.92567	3.4
116.92840	100.0
116.97237	1.3
117.01948	0.4
170.50110	0.3
265.56958	0.3
276.92969	0.3
636.25293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08079	0.2
55.25063	0.3
59.35875	0.2
60.32053	0.3
62.26445	0.3
64.36751	0.3
89.92884	0.3
99.92566	4.0
105.65633	0.3
116.92846	100.0
116.97208	0.5
130.03949	0.3
201.59032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60769	1.1
53.66391	1.2
81.83508	1.3
87.00871	14.4
94.97137	1.1
96.95971	12.8
100.53110	1.4
122.90975	1.3
123.03655	2.3
123.04514	49.6
128.35730	1.2
138.02769	1.5
146.08189	2.1
149.06030	7.8
164.03568	1.3
165.05547	18.3
193.05072	17.7
195.02966	24.9
235.35210	1.4
236.30711	1.2
250.44824	1.3
255.05103	100.0
257.79239	1.4
380.15735	2.2
476.44525	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	636.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07778	1.0
55.32917	1.2
59.01369	6.8
59.75180	0.9
71.01367	19.0
72.04542	1.8
87.00868	4.9
88.04028	27.3
89.02420	8.7
90.06476	1.0
96.04494	1.8
96.95977	1.8
98.06122	1.5
101.02416	7.4
113.02430	5.1
115.00359	18.5
116.90085	1.0
118.75292	1.0
119.03509	1.7
132.03018	1.5
135.08153	2.4
137.09644	1.1
152.10808	29.6
153.09187	14.3
162.12862	1.6
178.08644	1.1
179.05415	1.4
196.09848	12.8
206.11812	2.2
224.12979	14.0
238.10849	1.4
267.06610	2.3
268.06931	2.0
268.11893	2.0
268.33844	1.1
292.03751	1.9
293.04324	4.6
294.04730	1.5
310.12976	1.8
431.19217	1.2
456.10254	4.7
521.18750	2.1
618.20557	1.3
636.21472	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	635.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10482	2.4
59.01382	42.0
69.03458	3.6
71.01374	44.8
73.02928	20.7
83.01384	14.7
85.02941	17.9
87.00867	4.6
89.02446	22.5
95.01368	4.6
97.02909	6.4
99.00871	5.4
101.02435	49.8
113.02429	40.8
119.03491	5.3
125.02415	4.8
143.03491	6.6
159.03029	4.1
161.04529	14.8
209.15504	3.9
227.06886	3.8
229.76962	2.8
269.08200	50.5
271.18192	4.4
291.41635	3.1
293.04507	3.7
371.20651	6.5
468.36902	3.0
515.25024	30.8
533.25989	100.0
575.18433	4.8
575.26855	28.8
585.34106	3.9
599.36163	6.1
635.17145	5.2
635.29926	3.6
649.04858	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40930	0.7
57.03435	1.8
59.01086	1.3
59.01377	33.4
59.89558	0.9
69.89837	0.8
71.01369	16.6
72.99295	5.8
73.02937	5.8
75.00864	23.6
83.01400	1.0
85.02935	29.9
85.96183	0.9
87.00852	7.3
89.02415	4.1
95.01360	3.9
96.96004	1.5
99.00858	10.0
101.02412	6.1
111.00851	2.0
113.02431	39.7
115.00337	4.1
117.01904	2.1
129.01936	1.6
131.39706	0.8
138.09196	1.1
141.01924	1.2
142.11510	0.9
150.05672	1.1
161.04701	3.6
175.02513	1.2
175.05084	2.1
215.08275	1.2
233.09436	1.8
241.09885	3.4
244.09715	2.1
245.09451	1.2
269.09348	1.4
344.79300	1.2
442.19623	1.1
468.17715	3.3
528.38440	0.9
591.23444	4.5
603.25183	1.0
605.26190	0.9
618.55322	0.9
635.29102	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	635.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73714	2.0
59.01369	14.7
71.01391	4.2
73.02908	2.6
77.87423	2.1
81.89417	3.0
85.02954	3.7
90.77737	2.4
92.04515	2.5
96.96014	9.8
97.71219	2.2
121.02892	3.4
123.80925	2.6
132.06766	2.8
135.04480	3.0
136.07681	4.9
141.37537	2.6
148.17442	2.8
150.05646	4.0
154.08727	12.4
166.06335	3.5
174.76595	2.6
175.05031	2.9
180.06737	2.6
199.08792	4.1
211.07460	4.3
213.13986	4.1
215.08234	3.5
223.05759	2.6
224.06760	4.1
225.07635	24.4
233.09441	3.4
239.09454	8.1
239.11873	51.4
241.09837	11.2
269.08157	4.0
276.76779	2.6
308.17630	11.5
309.20081	5.1
319.18152	2.7
324.06473	3.9
333.14954	3.2
336.20737	9.5
339.08713	25.2
362.18747	65.7
380.19632	17.5
399.24915	5.3
413.12448	25.3
419.03613	2.9
435.16678	5.6
457.09790	3.1
563.29498	13.1
591.24286	4.3
597.21881	23.2
599.21918	4.7
605.26630	23.9
635.27667	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	635.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63257	2.6
54.91831	2.2
79.67489	2.2
80.53363	2.5
82.02928	2.3
84.31009	2.5
126.57924	2.8
139.24034	2.5
148.04048	35.5
150.05598	17.5
154.05058	2.9
160.04002	5.5
161.04802	71.0
162.05618	4.0
174.04286	3.2
175.05099	89.3
175.06197	3.5
176.05885	3.5
190.07382	2.6
191.08270	4.8
201.09140	2.8
202.08742	14.2
203.04634	30.0
216.06572	4.8
232.08588	25.2
233.09280	53.6
244.09840	100.0
245.09277	14.5
286.09674	3.4
287.10419	5.2
288.08725	5.0
305.11404	11.6
338.11597	4.7
424.18613	2.6
468.17798	99.1
472.20886	10.0
514.35382	2.9
605.26245	32.9
635.27222	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.7
78.83582	3.7
85.02955	8.5
85.46008	3.4
92.19362	4.0
101.02431	4.0
135.83989	4.4
136.07640	16.1
137.44586	3.8
138.09209	9.2
161.04816	8.3
161.07187	7.8
164.10756	7.0
173.07265	4.9
175.05125	18.3
197.54820	3.3
205.60258	4.2
208.09793	6.5
213.06700	4.1
215.08260	72.8
215.11847	14.8
233.09232	40.3
241.09746	54.1
243.11354	6.2
244.09758	7.3
245.09189	5.0
251.16483	7.1
255.11372	22.4
259.10843	5.2
285.08786	5.3
303.10144	4.2
336.73441	4.1
362.18646	4.6
396.15515	19.3
454.20172	5.7
468.17783	7.4
472.20776	7.7
567.80359	4.3
605.26294	4.6
635.27100	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	635.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73072	1.9
51.84991	1.8
60.06137	1.6
65.67712	1.8
74.14978	1.9
74.64735	2.1
82.02980	4.0
112.04025	4.0
129.05580	4.0
136.07651	2.3
148.04021	33.5
150.05594	25.7
160.04027	10.5
161.04800	80.1
162.05589	3.5
171.11176	2.0
173.06026	2.5
174.04366	7.1
174.05620	2.4
175.05106	100.0
176.05937	3.9
190.07462	8.8
191.08264	4.1
201.07703	3.0
201.09297	4.2
202.03979	2.3
202.08737	11.2
203.04575	23.7
215.05910	2.5
216.06610	11.1
217.09888	2.2
228.06621	2.3
229.07310	2.6
232.08545	23.8
233.07166	3.7
233.09288	53.0
242.10692	2.4
243.11383	3.0
244.09848	86.9
245.09273	12.0
263.10159	2.4
287.10309	7.6
288.08755	4.1
305.11520	10.2
312.13666	3.1
338.11490	2.5
370.17688	3.2
457.45364	2.2
468.17810	78.5
472.20877	8.7
605.26270	29.1
635.27246	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	635.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65707	2.5
71.89223	2.2
75.84497	2.2
82.02957	3.7
93.45566	2.1
110.57496	2.4
129.05620	3.7
148.04019	20.2
150.05598	21.4
153.25389	2.2
154.05075	2.4
160.03990	2.9
161.04813	72.7
162.05612	5.6
173.03531	3.1
175.03665	4.7
175.05103	87.6
175.06256	3.9
176.05916	4.7
185.91901	2.5
191.08302	5.1
201.07770	3.6
202.08759	13.3
203.04601	22.3
215.08118	2.6
216.06552	3.3
228.06761	3.1
229.07539	3.2
232.08473	25.3
233.09280	50.9
241.09987	3.0
244.09819	85.6
245.09296	12.4
251.42398	2.7
287.10355	12.9
287.13632	2.3
288.08694	5.5
295.10947	3.0
305.11368	12.2
312.13553	4.0
338.11588	4.0
353.81180	2.9
370.17517	3.7
468.17734	100.0
472.20883	14.4
605.26349	25.6
635.27332	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19457	2.5
50.79533	2.2
58.63444	2.9
59.01377	20.5
63.75576	2.8
71.01378	7.2
72.99315	3.5
73.02937	4.5
73.18629	3.0
75.00859	13.5
77.65382	3.5
82.02992	4.4
85.02950	4.1
87.00827	5.0
89.02446	4.3
96.95956	3.5
99.00921	4.6
101.02406	4.0
113.02417	20.3
115.00382	4.5
123.14230	2.7
134.90207	3.2
136.07587	3.6
138.09322	3.7
148.03996	13.6
150.05629	19.1
161.04807	24.2
161.07201	3.4
162.05640	4.0
166.12346	5.4
175.05119	60.8
178.08714	15.9
202.08716	26.2
215.08231	5.7
232.08472	7.4
233.09261	46.5
241.09859	5.5
242.08287	3.5
244.10104	26.2
245.09319	49.7
246.07765	3.6
259.10965	4.3
282.50555	3.1
286.09821	3.8
287.10419	5.1
287.57681	3.7
305.11365	6.7
312.13422	5.1
396.15439	3.6
412.18997	11.8
456.17514	6.8
468.17917	43.1
472.20889	6.0
591.24347	21.7
605.26251	46.9
635.27692	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	635.2609
Annotation	10,11-Dimethoxy-1-methyldeacetylpicraline-3',4',5'-trimethoxy-benzoate
Peak:m/z	Relative Intensity
68.91624	1.3
80.66496	1.6
82.02969	9.0
89.24505	1.6
92.19357	4.2
94.62559	1.5
98.52562	1.7
99.05648	1.9
121.02909	5.7
126.30409	1.5
127.05098	2.8
134.03722	60.1
135.04501	1.6
148.05264	3.7
149.06070	100.0
153.23203	1.7
175.03999	9.5
190.05074	1.9
194.08237	3.0
204.06606	12.2
207.01367	1.8
218.08168	8.0
230.55515	1.6
237.86177	1.5
249.12550	2.0
265.10767	1.6
365.15134	16.1
366.15680	7.8
381.18207	9.0
407.16092	1.7
635.26093	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	58.0
61.25472	1.4
70.92476	1.5
71.01373	35.1
73.02938	8.6
83.01372	3.5
85.02941	14.1
87.00857	3.0
89.02435	29.0
93.12080	1.3
95.01368	1.8
96.96012	26.4
98.95573	8.1
99.00860	1.9
101.02428	38.2
101.26641	1.4
113.02451	22.0
119.03516	12.6
131.03496	2.7
143.03456	2.5
158.97380	1.5
161.04564	6.6
185.25943	1.5
194.05656	1.5
195.13902	1.9
197.15477	2.0
206.62054	1.6
207.13875	1.6
221.06679	3.2
225.14946	23.7
239.55470	1.5
260.53809	1.5
311.05600	7.3
315.44067	1.9
369.19299	5.3
387.20352	18.8
429.21481	11.8
531.24066	6.2
549.25549	9.7
591.26636	100.0
635.19757	2.9
637.48004	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	635.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13257	1.1
57.03441	2.0
59.01377	29.2
62.00092	1.4
71.01366	21.0
71.15218	1.4
71.27019	1.3
72.99300	5.3
73.02943	6.2
75.00867	25.0
83.01402	2.8
85.02942	28.6
85.35991	1.3
87.00857	6.7
89.02442	6.8
92.19921	2.7
95.01365	3.2
96.96020	3.3
97.09670	1.5
99.00867	8.9
101.02442	10.0
113.01672	2.0
113.02428	34.7
115.00340	6.1
117.01874	1.5
119.03517	1.4
129.01904	1.4
131.03462	2.8
157.01564	2.1
161.04526	1.7
219.13901	1.9
235.08272	1.5
518.39398	1.5
567.83838	1.4
591.19214	2.7
635.25592	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	635.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60204	1.2
55.91982	1.0
57.62414	1.3
57.71425	1.3
58.83405	1.2
59.01168	1.1
59.01381	17.5
67.53661	1.2
71.01376	11.9
73.02925	1.9
74.02470	1.5
74.35175	1.3
85.02947	3.0
87.00874	1.4
89.02435	9.0
92.10134	1.4
96.95997	100.0
96.96963	6.0
101.02428	17.5
113.02409	9.8
119.03492	2.7
123.15274	1.5
137.09744	2.0
161.04564	2.8
197.15451	1.8
207.13858	2.3
221.06621	2.0
225.14966	39.6
245.09261	5.4
293.04617	22.0
296.45605	1.6
327.73438	1.6
328.86563	1.7
429.20926	4.9
531.24323	2.9
549.25201	7.0
591.26697	28.6
621.26471	1.6
635.25531	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	635.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01376	51.1
59.89546	1.0
67.12210	1.3
71.01370	28.5
71.16302	1.1
73.02937	13.5
74.79143	1.2
83.01370	5.0
85.02944	10.8
87.00828	1.5
89.02428	20.6
99.00874	1.8
101.02429	37.5
105.84783	1.2
113.02422	21.2
119.03473	10.3
125.02432	2.1
127.95399	1.3
131.03485	2.9
143.03436	1.5
152.08412	6.3
161.04559	12.4
179.05550	3.0
193.12224	1.3
206.51515	1.3
211.76654	1.3
221.06599	7.8
225.14925	7.4
237.13068	1.6
263.07800	1.9
345.67853	1.3
369.19080	2.0
387.20309	13.3
429.21286	16.6
489.03342	1.4
515.40460	1.4
534.02197	1.5
549.25519	7.5
591.26654	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	635.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83538	1.6
58.77414	1.8
59.01387	9.0
70.02974	4.7
71.01383	4.5
73.04478	1.9
74.02467	40.9
81.03400	1.9
86.73508	1.8
89.02420	2.3
96.96003	17.6
97.23763	1.8
98.02475	4.3
101.02432	4.1
116.03534	23.8
116.05045	2.7
117.52754	2.0
145.48770	1.9
177.83661	2.2
201.10394	5.3
203.08255	70.1
239.39986	2.2
245.09314	100.0
289.08359	3.1
293.04504	3.0
591.26526	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	635.1623
Annotation	Fujikinetin 7-O-laminaribioside
Peak:m/z	Relative Intensity
56.75581	0.2
57.21070	0.2
59.01376	3.4
69.21399	0.2
71.01373	1.8
73.29942	0.3
74.99234	0.2
76.00148	0.2
85.02956	0.3
89.02431	2.7
92.19998	0.5
96.39484	0.3
101.02422	2.0
104.57575	0.3
113.02441	1.4
113.98064	0.3
119.03492	0.7
123.92489	0.3
141.61995	0.3
146.73375	0.3
180.79710	0.3
181.23683	0.3
187.82999	0.3
237.05537	0.6
249.05637	0.4
265.05054	1.8
267.06625	16.5
293.04572	100.0
335.05658	0.7
353.06729	6.7
377.06674	0.3
383.07471	0.4
591.26648	1.1
600.75574	0.5
635.16211	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67079	0.6
51.07808	0.5
52.23381	0.6
59.01382	6.7
62.30012	0.8
64.64285	0.7
65.74756	0.7
68.46708	0.6
71.01364	4.1
73.02914	1.4
82.95428	1.0
85.02917	1.7
89.02428	5.0
95.16721	0.7
98.02419	0.7
101.02440	5.4
113.02430	4.5
148.16342	0.7
240.26518	0.7
260.46585	0.7
261.22171	0.7
265.05130	1.2
267.06641	19.1
269.35809	0.7
293.04575	100.0
353.06662	5.7
428.37625	0.8
459.10007	0.7
575.27173	1.0
591.26404	5.3
635.16235	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02025	0.3
59.01375	2.6
60.19397	0.3
66.86548	0.4
67.30103	0.3
71.01369	0.5
78.95894	5.1
79.95737	0.6
87.61159	0.4
88.06513	0.4
89.02419	1.8
92.19965	0.8
96.95994	100.0
96.96899	10.1
98.95580	0.7
101.02419	1.0
103.00861	0.4
113.02433	0.8
142.51884	0.4
179.05563	0.5
302.29962	0.5
591.26801	1.9
635.27179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76685	0.5
59.06207	0.5
60.06406	0.6
61.67086	0.5
86.81474	0.6
89.21170	0.6
99.92583	4.3
115.42162	0.6
116.92841	100.0
116.97224	1.5
117.01958	0.6
122.73883	0.6
123.65740	0.6
125.02145	0.6
146.88525	0.6
325.96030	0.7
403.01941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29644	1.2
54.77615	1.4
58.03927	1.3
75.40876	1.4
91.66923	1.5
92.29792	1.3
99.92569	2.8
101.38146	1.3
104.93081	1.3
108.03432	1.3
116.92836	100.0
116.97179	1.4
136.61172	1.4
154.93571	1.2
164.24890	1.5
265.63174	1.4
329.90170	1.8
633.14697	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	634.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	1.1
59.01423	0.5
63.71194	0.5
70.52258	0.5
79.77573	0.8
86.45904	0.7
109.02910	0.7
110.76598	0.6
110.93363	0.7
112.51695	0.7
117.48574	0.6
121.02957	6.7
135.04503	4.0
135.42648	0.6
136.04848	0.9
137.06050	1.1
163.04004	7.5
179.80290	0.7
186.16122	1.4
187.76912	0.7
228.17128	3.3
308.19818	57.6
334.17618	1.5
335.18063	1.0
350.20868	37.2
362.20663	1.0
443.55090	0.8
454.23590	1.1
472.24536	100.0
582.07855	0.8
634.29797	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	634.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55187	1.6
71.01388	1.7
71.52766	1.4
107.65744	1.6
108.02169	4.0
109.02921	10.6
109.74409	1.7
123.04480	8.5
127.05107	16.2
128.03482	2.3
149.02419	3.3
150.03194	25.7
165.05553	39.7
177.04379	2.7
180.04303	3.8
192.06718	5.4
218.04712	1.6
227.11810	2.1
237.08742	11.2
242.75620	1.8
270.12488	13.1
271.10992	2.1
288.13535	18.3
290.19003	2.0
394.17834	7.8
420.15488	3.2
438.16483	2.2
616.42950	1.7
634.13477	3.5
634.24078	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	633.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52399	0.7
53.30816	0.8
60.59898	0.7
65.13983	0.8
107.35050	0.8
117.32475	0.8
170.66864	0.8
183.44402	0.8
253.21730	100.0
304.01297	0.8
314.60117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62630	0.7
59.01371	1.1
68.56129	0.8
69.39139	0.8
71.01360	1.1
73.03375	0.8
88.04008	3.1
96.96000	5.1
116.49188	0.8
117.58263	0.9
122.03711	1.6
123.04501	30.0
132.72980	0.8
136.39131	0.8
145.02907	1.1
146.08205	5.3
165.05547	100.0
185.48137	0.9
209.04469	1.3
253.03413	6.3
260.70114	0.8
380.15646	8.5
381.15906	2.0
549.99933	0.9
636.84711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72311	1.0
55.01891	1.2
56.44609	1.0
57.03445	17.4
62.86465	1.2
71.01387	2.1
73.02953	1.7
83.01381	5.8
85.02938	100.0
100.31213	1.2
101.02428	7.0
111.00864	33.2
119.05001	7.3
125.69414	1.2
129.01933	41.0
156.22171	1.6
158.14952	1.4
161.04565	1.7
163.04001	11.7
186.60155	1.4
187.02444	2.0
205.03535	33.4
223.04593	51.0
250.10844	9.6
369.08289	85.8
383.09775	6.2
634.21570	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	633.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52832	4.1
59.01368	19.7
71.01365	18.7
75.00851	10.9
81.62449	4.1
85.02927	21.3
87.00854	5.1
89.02441	6.8
92.19330	5.9
99.00831	5.9
101.02382	5.2
101.96909	4.4
113.02435	27.7
277.21719	5.2
390.10995	4.6
457.28079	8.0
460.09766	4.9
523.06781	4.6
582.65594	5.3
633.31409	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	633.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43576	0.6
59.01365	1.3
71.01370	11.1
71.01755	0.9
71.05029	0.8
73.02918	1.2
80.00610	0.7
81.37795	0.6
87.00863	1.1
88.04024	53.6
101.02409	3.0
113.02423	1.1
132.03038	0.9
146.08218	60.8
161.04523	3.5
168.54904	0.6
174.11394	0.9
203.02066	0.7
218.10323	2.7
252.05113	2.8
262.38617	0.7
308.13544	6.2
380.15619	100.0
475.01874	0.7
626.36975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99071	2.8
53.54714	2.5
56.04654	2.6
57.03448	5.2
58.67012	3.2
59.01372	100.0
60.79587	3.0
61.26445	3.2
67.37055	3.4
71.01374	96.3
73.02930	31.9
78.95901	8.4
79.57379	3.1
83.01380	8.1
85.02943	24.7
87.00854	34.3
89.02430	82.0
95.01378	8.6
96.95983	7.9
96.97021	3.7
97.06577	37.4
97.94431	3.4
99.00805	5.2
101.02439	94.4
113.02440	63.9
119.03486	31.8
125.02423	4.4
131.03432	31.3
142.51038	3.0
143.03535	7.0
151.07556	12.1
159.02966	5.0
161.04565	46.7
169.08652	22.9
179.05614	58.3
179.07056	5.3
201.12837	5.9
219.13873	5.5
221.06660	59.2
222.14357	3.8
249.14897	15.7
263.07709	46.4
267.16025	43.1
286.23563	3.7
307.77158	4.0
430.35764	3.6
516.23578	4.0
573.25732	4.8
589.18268	4.8
591.26587	23.8
633.27844	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2571
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
58.03188	6.8
67.05572	9.3
73.17325	7.8
81.18145	6.7
92.19372	12.0
110.15090	8.2
111.53822	8.2
148.04088	17.5
150.05615	19.1
160.04082	10.3
161.04805	69.3
162.05646	8.7
173.03490	11.4
174.04391	10.2
175.05141	30.8
201.30116	8.0
202.08813	11.7
215.05649	8.1
229.09830	8.4
231.11301	33.0
232.08438	13.2
244.09846	75.2
274.93637	8.7
337.15515	11.8
350.11682	10.2
352.12845	13.6
380.16391	13.2
466.16080	94.1
496.21051	29.1
573.23572	13.7
603.24701	46.5
633.25726	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	633.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83508	0.4
64.66292	0.5
66.80817	0.4
91.92065	0.4
92.19322	0.5
99.92580	3.0
116.92840	100.0
116.97223	0.9
279.23358	0.6
573.24042	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	633.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99711	4.6
65.01228	5.1
76.43216	5.1
82.96611	4.8
88.58857	4.8
113.88706	5.1
116.92839	100.0
156.52414	6.4
195.35561	5.9
233.18018	5.5
383.10135	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	633.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
81.39111	2.8
104.27332	3.0
109.37543	2.7
116.92852	100.0
117.92863	53.9
118.92603	35.2
118.93190	7.7
118.93391	6.4
119.03493	3.2
123.95640	2.8
297.07526	4.6
309.07828	3.0
312.10077	4.6
315.19507	2.8
327.12427	5.0
379.17545	3.1
388.36377	3.6
529.19946	3.2
603.23462	6.7
615.23987	9.5
633.24957	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	633.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.5
60.85993	7.4
65.76940	6.9
75.56213	7.3
134.85222	9.0
148.04070	15.7
150.05589	13.1
160.03925	12.1
161.04796	81.9
168.74353	10.7
173.03568	14.8
174.04288	10.5
175.05124	46.0
201.07878	10.0
202.08646	18.1
216.10088	9.3
244.09787	99.9
336.09851	11.1
466.16190	100.0
603.24457	41.8
633.25787	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	53.0
59.68954	1.4
60.44193	1.6
71.01379	27.7
73.02934	11.8
77.02185	1.4
83.01402	6.7
83.09997	1.9
85.02956	6.8
86.95457	1.7
87.00839	2.7
89.02428	23.6
97.02915	2.0
99.00871	2.0
101.02431	33.0
101.30737	1.4
113.02431	14.5
116.28101	1.7
119.03482	7.8
131.03473	5.8
151.07623	3.8
152.08401	8.1
153.09206	38.2
159.03012	2.7
161.04555	15.9
165.17876	1.3
165.64880	1.3
179.05617	3.7
189.06355	1.6
200.85965	1.4
205.12341	27.7
221.06657	7.0
223.13364	5.9
269.82745	1.6
312.81073	1.6
427.19666	30.0
517.39618	1.7
547.23761	2.8
589.25085	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	633.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.3
55.58829	4.2
56.37328	4.3
59.01379	76.5
60.14794	4.2
63.70375	4.1
67.36010	4.6
71.01368	76.0
73.02939	28.2
85.02930	25.0
87.00853	9.0
89.02423	70.9
90.73820	4.1
95.01376	4.9
96.16365	4.6
96.95986	9.6
99.00855	7.6
99.14474	5.6
101.02442	66.8
113.02426	48.7
119.03472	26.4
121.14336	5.7
131.03502	25.8
161.04515	40.9
179.05550	28.6
205.12352	5.4
221.06651	39.8
248.09409	5.1
263.07715	23.7
589.25055	100.0
633.27576	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	633.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61810	1.0
57.03441	5.1
58.80412	1.0
59.01374	32.4
71.01373	26.2
71.22751	1.2
72.99278	1.4
73.02927	5.1
75.00859	31.4
83.01379	2.0
85.02942	33.9
87.00861	9.2
89.02425	7.1
95.01369	2.4
99.00867	12.8
101.02412	14.8
112.01693	1.5
113.02428	44.8
115.00390	1.5
117.01893	1.7
119.03495	1.4
131.03461	1.7
161.04535	3.0
209.15494	1.6
272.75674	1.2
512.28967	1.5
546.03571	1.5
573.25879	1.9
589.25031	100.0
633.27570	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	633.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	0.6
59.01380	15.7
68.54816	0.5
71.01366	8.3
71.07285	0.4
81.18158	0.5
83.74866	0.5
85.02914	0.9
87.00856	0.5
89.02425	16.7
99.08134	4.5
100.91131	0.5
101.02439	9.9
102.20889	0.5
111.78063	0.5
112.39680	0.4
113.02437	6.3
115.75766	0.5
119.03490	6.4
119.04991	1.1
121.20398	0.5
127.07603	2.7
129.09206	0.7
141.09235	1.2
145.08691	54.0
148.27275	0.5
161.04457	0.6
163.03963	2.5
167.74687	0.6
187.09801	1.0
307.13992	100.0
454.58380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
59.01377	42.3
71.01376	28.3
72.99292	10.3
73.02933	13.8
75.00526	1.9
75.00871	26.0
79.67348	1.3
79.79031	1.4
83.01384	3.1
85.02943	39.8
87.00861	10.3
89.02434	12.0
95.01364	2.2
96.95996	3.4
97.02919	2.2
99.00860	15.8
101.02437	15.1
103.00333	2.0
109.02878	1.9
113.02431	48.2
115.00356	2.8
117.01915	2.5
131.03459	6.9
147.11769	6.8
161.04472	2.1
171.15630	1.6
173.04530	3.8
175.02513	2.9
182.19360	1.5
193.03448	3.1
202.22990	1.6
207.70212	1.4
210.47530	1.6
219.83635	1.8
235.04591	8.3
241.09862	3.1
275.22430	1.6
303.82172	1.7
352.20557	1.6
378.18121	10.2
396.20129	1.9
408.19275	8.1
452.18317	2.6
554.46930	2.3
566.77142	1.6
589.21265	100.0
633.27039	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30535	0.2
62.42752	0.3
68.35923	0.3
68.80409	0.2
69.37083	0.3
78.95905	2.4
79.95737	2.5
96.95999	100.0
96.96889	5.9
120.99652	0.3
127.87889	0.3
167.03448	0.6
225.87798	0.4
259.11523	0.4
321.09055	0.4
420.02753	0.3
637.31879	0.4
637.42725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77298	1.5
53.90361	2.0
68.65087	1.6
80.86873	1.7
82.70426	1.5
96.95995	100.0
97.45900	1.7
122.31970	1.7
141.79097	1.9
164.04797	18.4
175.05531	1.8
179.07103	9.7
182.00867	2.1
193.01399	3.4
200.92877	1.6
208.03763	56.9
223.06122	69.3
239.05563	2.7
286.00507	1.6
287.98865	1.8
589.17529	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	633.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77298	1.5
53.90361	2.0
68.65087	1.6
80.86873	1.7
82.70426	1.5
96.95995	100.0
97.45900	1.7
122.31970	1.7
141.79097	1.9
164.04797	18.4
175.05531	1.8
179.07103	9.7
182.00867	2.1
193.01399	3.4
200.92877	1.6
208.03763	56.9
223.06122	69.3
239.05563	2.7
286.00507	1.6
287.98865	1.8
589.17529	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	632.283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74331	0.4
68.29978	0.4
96.95997	0.8
99.05618	0.9
121.02921	3.7
134.03691	0.6
135.04517	100.0
137.06071	0.5
161.02406	6.8
212.14011	0.6
291.17175	12.7
306.18219	0.6
308.19690	3.5
334.17734	53.2
377.78333	0.4
470.22986	23.2
632.28308	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70099	0.5
51.73660	0.4
59.01380	36.0
65.51819	0.6
69.83222	0.6
70.39310	0.6
92.19999	0.8
126.08871	0.6
127.13862	0.5
141.01695	100.0
164.30820	0.6
223.02025	6.5
279.85175	0.6
305.02313	19.9
380.76965	0.6
387.02646	14.3
469.02890	1.1
509.31830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77408	0.6
51.72440	0.6
55.23782	0.6
59.01364	3.9
59.88306	0.6
61.98827	100.0
63.10770	0.7
85.02965	1.0
89.99020	0.7
99.93037	0.7
113.02425	0.8
118.44395	0.7
142.04198	0.8
150.06303	0.8
165.05508	1.0
172.73439	0.7
173.43585	0.9
218.24393	0.8
266.55515	0.7
314.93744	0.9
317.95569	0.7
410.18042	1.4
475.46942	0.8
526.79938	0.9
632.26727	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	632.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	0.5
59.01369	0.6
65.83840	0.4
73.93813	0.5
77.72202	0.5
92.05321	0.6
99.05609	4.2
111.24564	0.5
112.07678	1.0
116.93648	0.5
122.48071	0.5
134.03725	0.9
135.04507	100.0
161.02417	6.9
183.08180	0.7
186.16151	0.9
199.07585	2.1
211.07600	12.4
223.06146	1.0
224.06442	0.6
264.64255	0.5
363.67105	0.6
381.21786	6.5
394.72241	0.5
398.24402	5.9
424.22388	10.9
560.27679	13.6
632.26129	47.4
635.37354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43119	1.5
61.27872	1.5
99.92522	2.8
116.92850	100.0
153.74931	1.8
212.07092	1.7
267.40677	1.7
269.83328	1.7
297.18481	7.5
315.19556	2.1
631.24506	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	631.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18199	1.1
53.94607	1.2
54.23961	1.2
57.03440	1.8
59.01370	23.5
71.01373	18.9
71.48367	1.2
72.99290	2.8
73.02964	2.9
75.00854	15.0
85.02943	23.8
87.00851	6.4
89.02422	8.7
95.01386	1.9
95.56197	1.3
99.00859	9.0
101.02419	9.6
103.00293	1.2
111.00842	1.9
113.02440	28.1
117.01931	2.2
119.03452	1.7
130.67856	1.4
131.03484	1.5
146.06174	1.4
163.38945	1.4
171.10216	12.3
171.59651	1.3
173.04472	2.0
175.02444	2.3
183.10301	2.1
197.11824	11.0
208.17822	1.5
275.20181	1.7
277.21817	1.5
293.21085	3.2
350.11429	2.3
455.26620	2.3
569.23718	1.7
631.29736	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	631.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97544	1.6
66.30844	1.4
81.88733	1.5
92.19386	1.6
97.02935	21.1
98.03713	8.8
107.75169	1.7
113.02429	2.8
149.04639	1.8
201.10306	2.8
217.13431	9.0
223.78038	1.7
226.12325	1.9
255.15096	2.3
256.15738	2.2
256.52405	2.0
271.18063	7.6
300.14819	61.4
301.22980	1.9
315.17157	100.0
401.80701	1.9
631.23077	8.4
631.35254	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	632.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
75.73371	1.8
78.39016	2.0
105.27122	1.9
126.35660	1.9
135.89281	2.0
153.05579	4.2
182.02180	12.8
197.04543	50.0
211.06117	3.1
246.12050	2.1
407.13196	4.6
569.18793	27.3
632.24792	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	631.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90781	0.2
59.77421	0.2
73.02917	0.3
83.75769	0.2
84.34509	0.2
90.80685	0.2
99.00872	0.3
99.92577	3.6
109.72405	0.3
116.92839	100.0
117.01904	1.1
118.92751	0.3
166.26082	0.3
202.49696	0.3
203.10736	0.3
315.21759	0.3
389.00058	0.3
522.57306	0.3
638.79230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08929	0.3
59.60808	0.2
63.02189	0.2
63.29791	0.2
66.53732	0.3
93.02296	0.3
99.92571	4.0
113.78442	0.3
116.92841	100.0
117.01936	0.4
166.15282	0.4
333.44626	0.3
412.56390	0.4
445.64612	0.3
605.66040	0.3
620.88458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35980	0.3
58.05734	0.3
67.70890	0.3
88.45396	0.4
92.16767	0.3
92.19956	0.4
99.00852	0.5
99.92565	4.1
107.23917	0.3
116.92841	100.0
116.97222	0.5
117.01918	1.3
144.94319	0.4
223.79454	0.4
243.74513	0.4
265.94150	0.3
351.18613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
56.80862	0.8
57.03452	1.9
59.01377	50.3
61.48081	0.9
71.01371	38.9
73.02932	12.4
83.01389	6.2
85.02948	18.5
89.02437	16.7
92.19308	1.1
95.01360	2.3
96.95985	8.3
97.02940	2.1
99.00863	2.2
101.02437	33.0
113.02438	22.7
119.03473	4.4
125.02386	1.2
129.01973	1.3
131.03500	4.0
134.88589	0.9
143.03526	1.7
159.03003	2.0
161.04585	7.6
179.05647	1.1
257.49103	1.1
382.69229	1.4
545.25604	1.3
569.26233	1.6
587.27008	4.6
631.26172	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	631.2613
Annotation	Dipsanoside G
Peak:m/z	Relative Intensity
50.47921	2.5
54.24122	2.9
59.01379	93.2
62.70799	2.6
65.80019	3.1
71.01373	70.4
72.99293	6.2
73.02921	19.3
83.01369	13.4
83.05007	5.6
85.02945	20.4
87.00832	10.7
88.99499	2.9
89.02419	68.8
95.01363	4.0
97.02897	3.3
97.06537	3.1
101.02425	77.9
104.55377	2.8
111.04534	4.7
113.02425	59.9
119.03471	24.7
121.06581	12.3
125.35397	3.1
129.09293	2.8
131.03467	25.0
135.04527	4.0
136.05254	3.8
139.07639	18.0
143.03448	6.7
146.77827	3.7
151.07747	3.6
159.02902	5.4
161.02412	16.7
161.04536	39.6
168.07893	90.2
173.09628	3.2
179.03513	11.7
179.05588	27.4
217.12331	47.3
221.06650	37.4
235.13408	6.0
247.13390	27.4
263.07684	16.5
265.14502	4.6
341.08575	15.2
454.59338	3.7
463.18005	18.2
469.20676	4.4
504.53262	4.5
559.23816	7.4
571.23969	23.8
587.18854	14.8
601.25055	58.4
610.36621	3.5
613.23889	4.0
631.26044	100.0
649.51770	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	631.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51910	1.9
52.39029	1.9
59.46388	1.9
63.09988	2.3
116.92843	100.0
119.64281	2.4
366.14545	2.7
428.94128	2.6
431.80389	2.8
631.39813	3.9
646.92419	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	631.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
77.21893	1.2
99.92571	2.8
116.92848	100.0
155.31403	1.5
156.47034	1.4
420.47537	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	631.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23994	1.5
59.01370	26.0
69.26158	1.4
71.01364	27.3
71.68874	1.5
73.02934	8.7
79.95723	2.0
83.01349	2.4
85.02940	3.7
87.00848	6.8
89.02426	40.5
96.95995	21.4
101.01798	2.0
101.02436	36.2
112.52577	2.0
113.02431	17.6
119.03461	20.5
125.02399	3.3
131.03481	17.8
139.28970	1.7
140.56404	2.3
143.03477	3.5
145.08667	20.5
161.04533	18.3
179.05577	10.6
196.00935	2.8
221.06664	23.4
307.14124	2.4
383.11874	3.1
535.43292	1.9
631.24597	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	631.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33438	15.0
59.01395	23.4
65.82272	16.1
66.15855	17.5
71.01378	18.6
73.02985	17.4
74.59615	15.9
92.23758	16.4
129.19713	16.5
139.35426	20.5
147.60986	17.8
164.10764	78.7
321.19720	20.8
350.11478	100.0
607.09528	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	631.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.6
62.54306	2.1
66.46636	2.1
67.03772	1.9
69.80689	1.7
71.01379	2.6
101.02441	3.6
108.62329	2.1
112.76479	2.1
113.02415	3.4
117.86143	2.3
122.06142	2.8
228.08987	13.2
254.07079	2.9
255.07736	100.0
256.08505	34.9
333.12405	3.5
334.13199	4.6
335.09082	4.6
335.13901	10.2
348.09897	15.8
349.10706	62.9
350.11462	35.2
362.11438	9.2
376.13171	8.7
377.13773	18.4
378.14560	17.3
403.11761	3.4
404.12576	3.8
422.13562	9.8
464.14166	8.1
517.21143	4.0
541.20142	2.3
559.22076	12.5
571.21985	12.5
589.23090	41.6
601.23309	18.5
631.23926	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	20.5
88.98477	2.2
109.06570	3.3
109.11973	2.7
110.06099	13.0
111.04478	3.1
119.41438	2.1
122.06137	22.2
128.07100	2.4
129.05553	36.1
134.06111	26.0
136.07654	2.5
137.04761	2.1
148.07646	3.1
152.07158	15.9
158.06131	3.6
159.05644	3.3
160.04015	40.3
161.04869	2.4
164.07130	20.8
174.09215	3.1
177.06671	36.0
188.05762	3.0
201.06691	70.9
202.12328	5.3
212.10663	2.6
217.09796	11.5
229.09818	10.7
240.09111	3.4
241.09705	17.6
254.10503	2.7
255.11430	13.5
256.12164	5.5
257.09348	3.7
259.10855	8.8
268.10849	5.8
271.10794	5.8
289.12024	4.3
301.11890	4.7
326.51913	2.5
331.13000	100.0
337.15573	2.5
380.19717	2.8
546.07941	2.5
559.21753	13.0
631.24042	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2411
Annotation	C18154
Peak:m/z	Relative Intensity
59.01369	6.6
69.32375	1.0
73.02953	1.6
73.34238	1.3
74.11367	1.2
76.83817	1.1
92.19240	1.4
96.95987	1.4
105.66122	1.4
105.66936	1.3
122.06100	5.7
129.05545	8.6
159.38350	1.2
164.04752	8.0
179.07190	10.1
208.03741	35.5
221.08263	1.5
223.06110	100.0
225.08325	1.4
241.09799	12.0
305.08139	1.4
306.08572	4.1
307.09558	5.0
307.14700	2.0
320.10397	8.2
321.11203	5.0
322.11987	5.4
334.12189	1.9
335.12848	2.3
348.13498	2.2
350.15170	3.1
366.03845	1.4
384.13254	2.4
399.15573	4.9
414.18390	18.7
433.15048	24.6
587.25378	1.9
588.23657	5.3
595.20380	19.0
631.24146	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96331	2.1
59.01369	12.7
62.13826	1.8
71.01376	3.2
78.39965	2.4
81.46433	1.9
87.00885	2.1
99.00835	2.3
113.02443	3.3
160.04028	2.6
199.00217	2.5
228.09024	13.2
240.05392	2.9
241.06136	2.5
243.07787	2.7
254.06993	4.1
255.07739	100.0
256.08521	29.3
305.09116	2.6
318.14087	3.0
333.12390	8.6
334.08234	2.1
334.13217	9.6
335.14056	13.2
348.09839	14.1
349.10657	70.3
350.11392	31.7
361.10846	2.8
362.11523	11.1
376.12979	4.8
377.13824	15.2
378.14484	11.7
403.11594	4.3
404.12521	11.8
422.13486	20.3
463.13742	4.8
464.14816	8.2
517.20728	9.9
545.24377	2.5
559.21521	4.5
571.21930	13.2
589.23151	40.5
601.22974	29.4
631.23914	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
72.99320	1.9
92.19995	1.9
97.02940	3.4
101.02428	1.9
128.80681	1.7
142.64284	1.7
166.95605	1.7
181.05116	2.7
183.34450	1.8
195.06561	3.3
200.51643	2.0
207.49829	1.9
217.13409	2.2
227.15585	2.1
271.14401	2.2
300.14755	8.8
315.17108	11.2
315.40314	2.0
361.69385	1.8
372.74438	1.8
413.04419	1.8
414.82425	1.7
416.36539	1.8
457.40738	1.8
631.22699	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	631.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87452	5.0
59.01368	44.4
74.99084	35.4
96.14336	6.1
110.06108	9.7
122.06141	14.5
129.05551	53.4
134.06116	15.3
145.71642	6.8
152.07149	25.1
160.04019	48.1
163.00694	30.7
164.07227	12.2
177.06659	34.4
201.06708	56.0
202.12550	7.0
217.09634	6.9
229.09682	11.7
231.94284	5.9
241.09711	26.2
255.11487	8.5
256.12222	7.5
259.10883	6.6
323.42261	6.4
331.13016	100.0
357.68347	6.2
385.83142	7.5
559.22083	9.9
631.24280	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89995	1.4
59.01396	8.9
65.53439	1.3
74.62446	1.4
87.00871	12.5
91.07925	1.4
93.03471	1.5
96.96017	7.5
101.02472	1.5
105.22503	1.4
118.50915	1.5
124.01640	46.8
130.55127	1.6
131.52574	1.5
136.41524	1.5
138.03252	2.7
139.03999	100.0
162.91747	1.4
203.05653	2.2
239.37552	1.7
243.05243	3.4
321.59808	1.9
343.10339	20.6
360.24722	1.8
495.31119	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	631.178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64936	0.9
54.82693	0.8
58.02962	5.1
59.01382	7.5
70.02971	6.8
71.01360	4.0
72.04520	1.5
73.02940	1.4
74.02463	35.9
83.01411	1.0
85.02952	1.4
89.02429	1.6
92.19941	1.5
96.95985	4.0
98.02473	6.2
101.02423	4.6
104.29142	1.2
113.02377	2.2
116.03522	18.4
116.05025	6.1
119.03440	1.4
135.04494	8.4
142.06676	1.2
143.03493	2.5
149.59845	1.2
159.09285	1.8
161.04527	1.9
179.03497	11.2
201.10324	6.6
203.08272	69.9
245.09294	100.0
283.23288	0.9
289.08264	4.4
300.52853	1.1
308.61935	1.0
341.08792	6.6
485.15286	1.3
587.27344	1.7
631.26624	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	629.3717
Annotation	(-)-Ganoderic acid Mc
Peak:m/z	Relative Intensity
57.20700	1.0
57.21521	1.0
59.01379	100.0
61.10503	1.0
62.09181	1.2
70.44900	0.9
83.75088	1.0
135.35820	1.2
139.81328	1.2
145.56616	1.0
172.10071	1.2
285.16043	19.2
301.19186	2.0
337.36264	1.3
450.83105	1.3
569.34991	47.7
629.37500	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	630.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48620	0.4
65.88694	0.3
67.30414	0.3
69.75833	0.3
73.00021	0.3
76.80957	0.4
84.26801	0.4
88.04039	3.0
91.55093	0.4
91.85564	0.3
92.17870	0.4
96.95988	0.7
108.83221	0.4
120.01230	1.0
135.04512	3.8
146.08238	0.7
156.66299	0.4
160.88832	0.4
209.11777	0.4
218.10370	2.7
249.12440	100.0
411.17740	33.2
411.23364	0.8
478.31924	0.5
573.12177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3713
Annotation	(-)-Ganoderic acid Mc
Peak:m/z	Relative Intensity
52.14192	1.0
56.12497	1.0
59.01380	100.0
71.01382	2.6
71.41309	1.0
79.33998	1.1
81.23931	1.2
84.39074	1.0
85.02950	1.5
89.02423	2.3
92.98178	1.3
101.02399	4.5
113.02435	2.8
146.32964	1.3
162.52592	1.3
215.11472	1.4
284.93512	1.3
285.16064	22.2
299.17514	2.2
301.19308	2.5
386.22455	1.7
554.33014	1.4
555.33118	1.3
569.34949	69.6
629.30267	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	629.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14320	0.9
55.19260	0.9
59.01379	100.0
62.76830	0.9
76.17795	1.2
84.63031	1.2
96.95985	2.2
117.15408	1.2
130.31241	1.3
172.75566	1.2
223.06140	1.4
285.16034	19.0
289.61209	1.1
299.17551	2.0
301.19412	1.2
400.11557	1.5
428.97455	1.4
465.19559	1.3
555.33563	1.4
569.34985	59.2
629.25671	1.4
629.37323	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	629.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	38.1
61.17907	1.1
75.00861	4.3
88.98788	1.0
96.95991	5.3
113.02398	2.4
146.82242	1.1
150.03217	22.3
164.04799	2.1
165.05551	100.0
180.04279	5.3
193.35034	1.0
195.06627	39.6
196.07300	1.3
199.60684	1.1
200.67300	1.0
245.09311	1.2
344.12619	1.6
359.15237	1.7
407.17111	65.3
435.58554	1.1
585.18036	2.3
629.24017	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	629.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	60.0
66.14539	2.0
69.02295	2.2
71.01364	24.3
73.02913	3.9
74.57196	2.2
80.96522	4.3
85.02947	14.0
89.02428	23.9
98.07785	2.2
99.00892	3.1
101.02422	32.5
113.02454	22.0
116.92817	2.9
119.03503	3.2
134.06094	2.4
159.03116	2.8
161.04549	4.7
183.15013	2.5
207.29770	2.3
209.99249	2.3
221.06653	3.3
362.32260	2.6
374.24170	2.4
411.31296	3.0
419.33102	2.3
452.19214	2.5
452.37976	3.6
456.89722	2.4
569.34991	17.2
570.25128	21.2
629.28284	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	629.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69802	1.5
50.93586	1.5
59.01381	67.7
71.01373	52.6
73.02939	20.6
76.13920	1.7
83.01372	3.0
84.29746	1.8
85.02937	16.5
87.00867	12.4
89.02436	52.9
92.20076	3.8
95.01383	3.0
95.61355	1.6
97.73181	1.9
97.82838	1.8
99.00877	3.3
101.02435	60.4
104.82085	1.7
113.02431	39.3
115.09443	2.0
119.03484	20.1
125.02441	2.4
126.96546	1.8
129.11125	1.8
131.03476	27.3
142.42805	1.8
143.03534	2.7
159.02995	3.4
161.04553	40.8
179.05559	20.2
221.06685	31.1
263.07742	17.0
423.20389	13.3
497.88202	2.1
543.24280	13.5
585.25537	100.0
629.24536	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	629.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	55.1
61.11541	1.6
66.43604	1.7
90.90730	2.3
121.63889	1.9
149.02432	10.9
150.03200	16.4
158.78409	1.9
164.04764	16.5
165.05539	64.9
180.04239	2.5
195.06612	19.4
196.07426	2.3
200.16182	1.9
225.52249	2.4
278.43326	2.2
287.48438	2.0
335.60501	1.8
342.23666	2.0
344.12613	19.3
359.14990	41.4
361.19269	2.0
407.17120	100.0
413.42014	2.3
419.53662	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67163	1.2
56.57764	1.6
61.27205	1.3
61.84965	1.4
64.10784	1.5
65.19673	1.3
68.76621	1.4
72.99294	41.9
74.04315	1.6
75.85570	1.6
84.11553	1.4
92.19952	2.0
96.95981	1.9
141.72975	1.9
149.02417	8.3
151.04044	3.3
153.05511	1.8
164.04736	12.8
165.01865	3.7
166.02672	32.8
178.06323	3.5
179.03522	3.9
179.07108	3.6
180.04294	29.6
181.05063	84.1
194.05615	2.2
195.06615	86.9
208.03711	7.5
210.05357	12.6
211.06053	13.1
222.05305	15.5
223.06113	27.1
225.07678	14.0
241.07143	30.9
338.59558	1.8
467.15564	35.8
509.16782	3.1
600.01678	1.8
629.20923	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	629.2245
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
59.01381	63.8
68.99810	18.0
71.01386	47.5
72.85675	12.4
80.02383	11.7
85.02967	14.6
89.02460	23.3
92.75378	12.9
101.02445	47.5
113.02453	21.3
151.91245	12.8
153.01831	12.7
153.05548	57.9
176.01176	28.8
178.02673	16.1
179.05649	23.4
180.23042	12.8
191.03497	27.4
192.04312	20.2
193.01395	25.4
193.04988	26.3
207.06566	100.0
208.03764	68.4
214.66225	11.6
218.04868	12.3
221.06680	26.4
223.06134	95.2
245.15437	19.3
263.16473	20.9
292.94434	12.3
316.69699	13.1
357.13831	13.5
380.21005	14.4
384.62073	14.5
583.26080	17.2
611.20856	96.5
629.22510	61.1
629.85333	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	628.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06547	1.5
59.01379	14.0
60.92517	1.1
71.01375	26.7
73.02952	2.1
85.02951	2.5
87.00830	1.3
88.04026	3.3
89.02423	13.4
101.02428	13.0
113.02415	9.0
116.03511	1.8
119.03453	2.5
125.02441	2.3
128.07167	1.9
131.03442	2.2
142.75291	1.2
146.08217	72.7
161.04538	8.6
179.05746	1.4
221.06604	3.3
290.12479	10.0
308.13455	19.2
380.15326	1.8
542.20728	5.9
584.21960	100.0
591.63153	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	628.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77763	0.4
51.92332	0.4
60.12358	0.4
60.53690	0.4
63.61811	0.4
71.80044	0.4
74.82213	0.4
88.30798	0.4
99.92569	3.9
114.43478	0.5
115.92100	0.5
116.92843	100.0
180.00801	0.4
182.92024	0.5
265.38205	0.4
300.43112	0.4
394.35931	0.5
489.86951	0.5
643.96075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55851	1.0
59.57399	1.0
80.75742	1.2
85.49168	1.1
99.92561	2.8
116.92843	100.0
132.52980	1.2
211.35487	1.2
233.89729	1.1
274.76349	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	629.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43226	0.9
53.85640	1.3
58.85873	1.1
59.01381	25.2
61.30878	1.1
63.88752	0.9
102.69025	1.0
151.00293	2.2
164.04727	10.7
165.01884	1.5
166.01555	1.1
166.02690	56.9
179.07143	10.1
180.04262	13.5
181.05066	100.0
194.31387	1.3
195.06631	36.1
197.31731	1.1
208.03737	1.9
210.05286	9.2
211.06129	1.3
223.06009	2.8
224.16844	1.3
225.07623	10.9
460.80447	1.2
467.15616	33.1
522.29535	1.3
629.20911	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.6
61.98827	100.0
69.49924	0.9
71.01346	1.3
95.75409	1.0
96.95976	1.6
101.02419	1.9
114.60990	0.9
139.88573	1.0
143.49066	1.2
542.23120	1.1
627.20947	1.2
627.31506	4.3
627.41034	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	628.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20856	0.4
59.01361	0.5
61.98830	100.0
63.57373	0.4
65.62232	0.4
69.36948	0.4
82.34613	0.4
92.19416	0.7
128.03561	0.5
249.50951	0.5
373.13065	0.6
409.34451	0.4
555.69476	0.5
628.30768	0.7
628.41760	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	627.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79329	1.4
51.01624	1.4
55.04924	1.4
59.01368	2.0
60.02388	1.4
67.60075	1.6
72.00876	1.8
72.22569	1.5
93.03448	2.6
119.04991	10.8
121.02894	2.0
122.58437	1.6
129.10303	7.5
134.06097	11.8
139.08777	1.9
146.06085	7.4
147.04463	2.5
155.08195	16.5
158.06128	2.3
162.05627	2.8
163.03943	3.5
165.09058	2.2
180.06645	15.0
189.06656	2.1
200.05933	9.5
201.06732	1.8
213.14005	2.2
242.11787	2.2
248.10786	2.5
249.16121	2.6
274.11032	2.1
275.14044	2.8
293.15131	2.5
309.12451	7.4
319.94861	1.7
343.18210	3.8
387.17047	2.5
568.24585	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	627.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	67.5
60.11799	4.7
78.95890	26.5
80.96496	10.6
83.19485	5.2
92.19943	7.5
97.60873	5.2
114.44319	6.1
117.30077	5.5
134.06113	9.4
152.99588	74.6
171.10245	7.1
178.30693	6.3
187.05208	6.1
211.13362	19.6
223.00127	9.1
225.00737	10.1
241.01250	23.9
247.14513	12.2
253.32281	6.0
264.10263	36.4
273.09985	5.8
281.12949	11.2
292.58438	5.6
293.21188	31.1
311.22305	24.7
508.22388	32.0
522.23932	11.1
553.28564	43.4
558.18610	5.8
567.29791	54.3
627.26459	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	627.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83778	4.6
59.01373	32.5
59.41147	5.7
60.96544	5.8
62.13938	5.3
110.69971	5.5
134.06058	7.0
141.01685	12.1
146.06104	9.9
180.06670	39.0
189.06848	7.3
219.17834	6.0
243.06165	8.8
257.12872	13.1
266.11987	9.9
278.72641	6.4
343.18069	7.7
387.17313	11.8
403.89923	6.8
485.25845	8.4
568.24591	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	627.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60924	1.2
59.64966	1.1
65.23027	0.9
70.04543	1.0
72.00910	1.4
75.93712	1.2
76.77359	1.0
86.06012	1.3
91.05510	1.0
93.03455	2.3
107.04990	1.0
114.71485	1.1
116.05038	2.4
118.06603	2.4
119.05029	12.9
120.85309	1.1
129.10355	8.3
134.06097	6.8
136.07652	1.2
139.08759	1.4
146.06107	6.1
147.04510	4.2
151.08798	1.8
155.08267	18.1
155.12038	1.1
158.06120	1.8
161.07208	4.2
163.03981	9.2
169.09782	2.7
180.06654	24.0
189.06718	4.1
200.05923	11.8
201.06689	4.3
213.13947	2.1
221.09781	1.6
241.13467	1.5
242.11916	1.3
247.14552	1.4
248.10756	2.1
249.16096	2.3
253.13618	1.3
256.14526	2.7
257.12836	1.6
258.45645	1.1
273.10275	1.1
286.11234	1.4
291.11572	2.4
293.15088	4.3
309.12512	9.7
343.18106	14.2
378.02795	1.2
387.17368	11.4
457.80640	1.1
550.23663	1.8
568.24548	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	627.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58994	0.9
59.01387	7.4
59.24874	0.8
71.01367	2.3
71.27147	0.8
73.02922	0.8
75.53413	0.9
101.02447	3.4
113.02393	1.0
124.05724	0.8
124.07656	1.2
136.07710	3.5
138.09238	16.9
154.08760	8.1
156.10294	1.9
161.07208	18.1
165.05579	1.9
173.07195	5.0
175.31581	1.0
180.06667	3.9
189.10393	4.2
193.23923	1.0
215.08263	100.0
233.09309	36.5
241.09816	27.9
248.12596	1.4
259.07291	4.1
259.10818	9.5
325.12134	1.9
414.16681	1.3
440.18289	0.9
524.20105	1.5
605.28613	1.5
627.30530	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02502	3.0
72.00906	2.3
89.07228	1.3
93.03422	2.4
94.35461	1.3
102.75922	1.6
111.01945	1.5
118.06593	2.5
119.04975	12.2
127.08772	2.0
134.06059	8.2
136.07648	2.8
146.06142	14.3
155.08200	2.5
158.06122	2.5
163.03973	12.8
166.07480	3.3
180.06650	40.1
189.06641	8.4
191.08266	5.9
203.08505	1.7
209.07126	16.8
214.12386	2.9
218.06961	2.1
221.09256	1.7
239.11813	2.3
252.12604	6.6
257.12955	17.7
266.11847	9.0
275.14026	3.5
327.13354	2.9
343.18103	12.0
387.17261	20.2
568.24536	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	627.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30525	3.6
54.57291	3.8
56.44501	4.0
59.86914	4.3
59.95082	3.4
65.51349	4.0
71.01380	4.2
80.96504	39.2
81.02081	4.4
94.98056	6.3
110.82611	4.1
112.92193	4.0
126.54675	3.7
133.05296	9.4
134.06111	18.9
148.99129	4.7
152.99582	7.2
164.98596	19.4
171.10075	5.4
187.05144	18.4
188.43413	4.2
210.68988	4.5
220.07988	4.7
225.00732	35.6
227.46030	4.8
241.01109	5.6
247.14478	31.5
257.12918	5.3
264.10208	7.4
293.21078	4.5
370.17014	4.6
410.01944	5.4
522.23773	30.0
567.29840	64.1
627.34729	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	627.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55245	0.8
52.22238	0.8
59.01389	3.9
61.30390	0.9
64.29498	0.9
66.87575	0.9
67.12324	0.9
71.01396	2.1
74.04687	0.9
85.02921	1.3
89.02432	1.7
89.90242	1.0
92.13147	0.9
96.96033	1.8
101.02425	2.4
113.02445	1.8
119.05012	79.7
119.30942	1.1
122.44587	0.9
130.56152	0.9
155.10735	1.4
156.10754	1.3
157.79211	0.9
157.88124	1.0
163.04004	100.0
164.91661	1.0
171.10361	1.4
208.03729	2.0
223.06165	8.4
286.90598	1.0
311.07864	1.3
325.09338	39.6
364.50763	1.2
504.14362	1.1
583.22223	2.1
627.29095	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	627.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31604	2.3
59.01374	100.0
59.68385	2.5
70.70998	2.4
78.93958	2.8
80.16403	2.8
83.56721	2.8
84.63226	2.5
116.92838	44.7
122.96037	2.6
135.04500	2.4
141.00667	3.8
141.01707	58.4
180.76666	2.6
231.63695	2.7
249.18512	4.0
275.06137	6.2
328.98853	2.6
451.45645	3.1
521.08923	2.5
573.95337	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	627.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06293	2.6
56.56900	2.1
58.75713	2.5
59.01134	2.5
59.01387	27.6
70.27052	2.1
70.90310	2.1
71.01385	11.7
73.02940	10.9
75.00861	2.9
80.96516	2.8
84.04543	5.3
85.02950	10.9
87.00832	5.8
89.02444	4.0
101.02425	44.7
105.14320	2.4
110.66921	2.5
113.02441	11.8
116.92839	5.2
119.03437	2.4
127.05122	4.0
128.03574	4.2
136.07680	27.1
178.52257	2.5
189.06621	4.3
203.71593	2.9
207.07950	3.1
211.02596	2.4
215.11829	10.8
216.08980	3.5
217.09666	4.3
225.83960	3.1
227.08281	3.5
231.11429	5.6
241.09869	19.8
242.06966	3.7
243.07761	19.5
245.09462	3.2
257.09332	11.7
259.10812	17.7
281.12930	5.9
291.18118	3.3
299.14008	15.6
308.13928	3.8
325.11963	61.7
341.29465	3.5
343.12936	32.1
352.12350	2.8
361.14151	24.6
362.14938	4.4
380.16299	10.9
389.79361	3.3
506.19339	17.4
524.20380	48.2
567.26453	4.7
583.29187	21.3
585.27380	4.8
591.24884	6.5
609.25134	13.3
627.26727	100.0
641.12726	3.9
648.87634	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	627.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93892	0.7
59.01382	21.6
59.51525	0.7
62.56263	0.8
114.98410	0.9
119.30433	0.8
122.03776	0.9
133.02914	1.3
144.28764	0.9
150.03210	23.6
158.66118	0.9
161.02452	3.5
164.04706	1.3
165.05556	100.0
176.04765	1.5
178.27531	0.8
179.03535	1.3
180.04285	5.4
191.07124	1.3
194.05789	14.0
195.06625	57.5
198.09474	0.9
209.08179	32.1
223.06145	3.4
354.36740	1.0
405.15582	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47387	1.7
51.19564	1.7
52.82306	2.2
55.43991	1.9
56.23971	2.2
59.01381	42.4
69.28387	2.2
85.43723	2.4
101.02425	2.7
149.02429	5.2
150.03236	27.0
155.10783	2.5
164.04756	5.0
165.05547	100.0
176.04814	2.9
180.04276	2.5
190.04398	2.2
194.05823	19.7
195.06625	40.7
209.08182	27.3
280.87430	2.2
311.16830	2.2
342.11023	10.2
357.13419	28.6
405.15543	76.4
409.73608	2.1
509.35556	2.5
583.22266	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	627.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04448	2.0
58.64879	1.8
59.01379	100.0
65.75620	2.0
71.01369	29.5
73.02935	34.9
83.01366	4.8
85.02940	10.0
89.02447	25.4
92.19991	2.7
100.49731	2.2
101.02429	38.6
105.19051	2.4
113.02456	17.1
119.03478	3.5
129.05605	3.2
167.00804	2.6
194.89078	2.5
215.08272	5.3
240.77908	2.3
304.15451	2.3
511.25430	5.1
583.27612	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32557	1.1
72.63231	1.7
97.29278	1.5
99.34161	1.5
99.92607	1.9
104.96548	1.5
109.11340	1.5
116.92840	100.0
120.59354	1.3
204.86966	1.7
234.02185	1.5
298.04163	1.5
331.49179	1.4
621.29364	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	627.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62827	1.1
55.44547	0.8
59.01380	16.0
59.76406	0.9
60.13791	0.8
71.01363	5.5
87.00840	7.7
89.02425	11.7
89.24590	1.2
93.20527	1.0
101.02435	8.7
113.02415	4.2
113.29640	1.0
117.13045	1.0
119.03472	2.4
137.09709	8.5
155.10770	69.1
158.23042	1.1
171.10242	21.6
181.08618	1.6
199.09770	19.8
215.12881	1.3
217.10799	37.9
223.09749	1.8
246.69797	1.0
250.46754	0.9
255.23207	1.1
259.11853	6.6
261.59216	1.1
302.20779	1.1
303.65720	1.0
319.13763	1.6
361.14777	1.2
405.15121	1.0
412.06635	1.2
523.20264	4.0
541.21564	7.4
583.22449	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	627.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01084	3.8
59.01376	75.6
59.08522	1.7
63.65079	2.1
68.62733	2.1
70.02985	3.3
71.59586	2.1
73.69241	1.9
74.02465	21.0
74.42438	2.1
74.73244	2.2
83.45458	1.9
84.09956	1.9
87.00859	2.9
89.17358	2.1
105.01949	17.7
116.03532	11.6
116.05053	2.4
117.03418	4.2
119.05003	25.1
145.02948	100.0
147.03003	54.4
150.03172	8.9
163.03999	59.8
165.05547	29.5
189.05544	13.4
194.05814	4.2
195.06577	14.4
197.85159	2.0
203.08255	34.3
204.08528	2.6
205.08791	2.4
209.08179	10.5
241.02878	2.4
245.09283	48.0
246.09634	3.8
247.09895	2.8
251.05539	3.2
258.91620	2.3
293.06659	58.1
330.08307	2.1
405.15417	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	627.1934
Annotation	Piloside A
Peak:m/z	Relative Intensity
54.37941	1.4
59.01391	2.7
65.30606	1.5
71.01393	2.1
72.99296	48.4
79.56355	1.6
87.07069	2.0
101.02374	1.6
112.42889	1.6
124.01653	1.7
132.13457	1.5
138.03220	2.2
139.00377	3.0
139.03976	7.3
151.04021	1.9
153.01891	1.9
153.05553	9.2
163.03883	2.5
166.02692	15.6
177.01965	7.5
178.02663	2.2
178.06348	10.8
179.03468	3.2
180.04301	6.0
183.06583	3.8
191.03505	3.2
192.04242	8.3
193.05045	21.6
194.02150	7.1
195.02937	2.5
195.06654	8.4
207.06601	10.7
208.03755	9.5
209.04539	24.5
210.05270	3.4
222.05348	32.8
223.06094	15.4
241.07239	3.0
255.08646	2.2
276.06604	1.6
327.12433	2.3
394.00470	1.8
465.14069	100.0
507.15027	7.9
580.87555	1.6
583.20978	1.8
585.18750	1.7
627.19275	18.9
635.38989	1.6
645.45380	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	625.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18150	2.1
59.01374	17.7
71.01365	10.4
73.02934	2.7
77.62518	2.1
83.01373	2.4
83.57915	1.9
84.04538	2.6
85.02951	3.5
89.02380	3.1
100.63212	2.1
101.02422	12.1
113.02435	7.0
122.02937	1.9
128.03484	8.5
148.68349	2.3
152.83745	1.7
159.16277	1.9
171.15086	3.8
197.12933	47.8
215.14005	80.9
269.00635	2.1
388.64398	2.1
542.92542	2.1
575.48779	2.1
581.28076	3.1
625.33478	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	626.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42771	0.5
62.13839	0.5
69.69833	0.7
71.01358	0.7
123.00862	2.8
134.04735	1.0
138.03212	29.5
141.13995	0.6
147.93665	0.7
153.05565	28.2
182.02208	40.6
193.91772	0.6
197.04550	100.0
220.62685	0.6
239.05620	0.8
348.18588	0.6
359.09821	43.0
436.22824	0.7
473.46707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85276	1.2
55.03658	1.2
59.01376	6.7
71.01382	24.7
73.02943	1.9
73.89373	1.3
81.27773	1.8
87.00885	1.9
88.04034	18.9
89.02426	9.1
93.34605	1.4
101.02425	8.7
105.89645	1.5
113.02409	6.5
115.00353	23.5
119.03468	2.8
125.09701	41.7
132.02988	6.4
179.05591	1.8
186.11336	69.2
187.09760	42.5
196.13487	2.9
200.12909	3.6
210.11223	1.7
211.09750	1.8
228.12361	2.2
229.10713	1.7
239.05556	1.7
240.12379	7.4
258.13483	23.4
300.14560	2.7
384.14511	1.7
404.14182	2.0
467.66257	1.7
511.20151	2.8
626.23102	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	625.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	69.2
61.85587	3.1
70.33590	3.5
71.01366	31.1
73.02927	13.2
73.39224	3.1
81.83816	2.9
83.01377	5.5
85.02943	23.5
87.00842	3.9
92.87252	3.3
98.28831	3.6
101.02420	33.3
113.02423	18.4
137.40610	3.5
148.87277	3.8
161.04449	4.2
163.03951	4.4
165.05553	4.6
178.06303	4.4
196.07417	35.7
211.09746	71.2
223.06099	45.2
225.07613	6.9
233.37862	3.3
238.08467	100.0
253.10811	93.1
340.11591	27.2
355.13943	49.8
358.12790	5.5
373.14972	36.8
415.15976	15.2
421.18530	4.7
447.26328	3.8
463.19708	15.7
565.22943	33.4
581.24902	4.3
583.23816	13.9
625.25000	79.4
625.34351	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	625.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70222	0.7
54.98366	0.9
59.01381	32.3
59.72070	0.8
65.75890	0.8
69.78339	0.8
71.01368	7.9
71.62251	0.8
73.02934	18.7
74.67419	1.1
83.01388	3.8
85.02967	1.8
89.02427	5.2
95.01408	1.2
101.02438	12.6
103.64438	0.8
113.02460	8.8
119.03532	3.2
122.74721	1.0
134.97034	1.0
143.03493	1.2
149.04573	2.2
161.04538	7.5
179.05626	1.9
181.05060	48.3
196.07413	100.0
209.08214	1.3
211.09755	52.8
221.06613	2.0
238.08479	1.4
241.85205	0.9
253.10764	3.8
371.12909	1.6
527.24536	1.0
565.23010	9.4
625.24493	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	625.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44483	4.6
59.01377	100.0
61.18033	4.7
71.01376	39.9
73.02942	20.6
76.42557	5.2
79.29294	5.1
83.01373	5.2
85.02939	10.1
89.02449	4.8
101.02441	53.9
111.86881	4.3
113.02414	26.6
152.25975	4.6
160.41621	4.8
161.04578	7.3
232.35820	5.7
322.66418	5.2
358.83572	4.5
396.76932	5.4
406.18509	6.0
472.84988	5.6
483.97784	5.8
495.24637	58.3
537.25439	64.3
644.71246	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	625.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88793	1.2
58.02967	2.5
59.01085	2.2
59.01372	37.7
70.02958	6.6
71.01349	14.7
73.02940	18.5
74.02458	27.4
83.01369	3.2
85.02921	6.7
86.45567	1.5
89.02434	6.1
97.01199	1.6
98.02451	6.1
101.02420	18.7
113.02428	9.8
116.03518	16.1
116.05053	3.8
119.03461	2.4
131.03528	1.6
133.02905	2.1
133.07555	1.8
149.02490	2.9
149.04465	1.9
150.03201	16.1
159.09134	1.6
161.04536	6.4
164.04768	2.7
165.05565	17.1
171.10428	1.8
181.05054	41.8
196.07401	100.0
201.10284	3.2
203.08260	72.7
208.75070	1.7
209.08232	2.8
211.09740	58.2
223.06055	3.6
238.08479	6.1
245.09273	90.4
253.10855	6.4
325.13123	1.9
329.14017	11.9
405.59766	1.7
473.18002	9.4
477.30267	1.8
491.19095	6.7
533.20123	13.4
565.22772	9.3
581.22406	32.3
627.53314	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	625.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97395	1.0
58.02969	6.1
59.01376	31.3
59.62499	1.1
70.02971	9.7
71.01395	11.3
72.04539	2.0
73.02934	14.0
74.02464	40.0
81.03438	1.2
83.01373	4.7
85.02941	5.5
89.02422	7.0
93.79760	1.2
98.02480	9.2
101.02427	15.8
113.02413	10.7
116.03526	16.4
116.05009	10.0
117.75056	1.1
119.03423	1.8
125.02376	1.5
133.02892	2.3
137.09459	1.2
142.06596	1.7
149.02440	7.0
149.04617	1.4
149.06024	1.3
150.03207	13.7
159.09286	2.5
161.04546	5.6
164.04784	4.7
165.05539	17.9
179.05566	1.6
181.05061	29.4
181.08643	1.7
183.09236	1.6
185.81065	1.2
186.11295	1.3
195.06612	1.7
196.07401	67.9
201.10310	6.4
203.08264	77.3
209.08194	1.9
211.09747	37.8
211.97751	1.2
221.06708	2.1
223.05998	1.9
238.08484	4.9
245.09296	100.0
253.10687	2.5
270.09131	1.3
289.08273	4.7
310.58072	1.3
314.11490	1.7
325.12778	1.8
329.13828	9.0
473.18140	8.8
491.19254	6.3
533.20422	11.8
565.22839	6.9
581.22339	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10365	1.6
57.09475	1.4
59.01369	13.1
63.33607	1.5
66.33052	1.3
85.56055	1.4
100.62415	1.3
105.09272	1.5
115.45101	1.6
121.02908	2.0
122.03696	5.7
136.35376	1.5
143.39072	1.5
149.02411	25.8
150.03212	82.6
164.04784	6.3
165.05554	100.0
165.06961	3.7
180.04247	7.1
195.06625	40.2
206.25931	1.7
239.07234	1.8
295.34586	1.5
309.07843	3.2
311.09229	6.9
316.00339	1.5
323.09167	8.5
339.08743	44.9
354.11102	9.7
369.13443	58.6
517.18494	26.6
577.20282	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	625.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	38.3
71.01002	2.3
71.01373	17.5
73.02939	3.2
74.52173	1.7
83.01384	6.2
84.09186	1.6
85.02950	12.6
87.00906	2.7
89.02422	8.0
93.29891	1.6
101.02456	18.2
103.84898	1.7
113.02437	10.5
133.02910	7.9
146.08009	1.9
149.02440	13.4
150.03188	36.0
161.04436	1.8
164.04782	7.9
165.05560	44.4
177.45021	1.8
180.04309	3.8
181.05034	1.7
181.08723	7.3
195.06635	9.8
196.07410	8.0
263.69388	1.8
263.92047	2.2
270.08914	2.7
314.11584	4.2
320.05450	1.9
325.12668	4.2
329.13882	20.6
343.14072	2.8
357.15329	2.2
377.18311	2.6
421.18533	4.1
473.18155	18.3
491.19321	14.2
521.20892	2.4
533.20227	25.6
539.21765	2.8
581.22644	100.0
625.19592	2.2
625.31305	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	625.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.9
59.10626	0.9
63.09291	0.7
63.46608	0.8
64.00684	0.8
66.97247	0.8
71.01372	5.4
72.48297	0.7
73.02938	22.0
81.95044	0.8
83.01379	3.6
85.02934	1.2
85.15968	0.9
87.00841	0.8
89.02418	1.3
89.12766	0.9
97.19728	1.1
101.02439	14.4
112.90168	0.8
113.02425	4.4
119.04970	1.6
127.70460	0.8
131.03351	0.9
134.03674	1.2
145.02959	7.5
146.03703	6.5
147.04488	1.4
149.02435	1.2
149.06104	1.4
151.03973	5.0
161.02449	1.4
161.06085	7.3
162.03215	23.0
163.03984	5.1
164.04861	7.5
165.01927	1.1
165.05530	7.3
166.06310	11.5
168.82901	0.8
177.05565	13.4
179.03529	1.5
179.07117	24.7
180.07906	5.0
181.05035	1.9
181.08655	1.2
187.69281	0.9
195.06622	3.7
209.08116	1.0
224.06938	0.9
225.07664	23.5
269.08334	6.7
284.10654	6.9
385.12912	4.2
490.98877	0.8
523.65717	0.9
581.16406	1.4
583.19897	1.9
625.21399	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	625.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	37.4
59.90844	2.0
69.03475	2.3
71.01369	40.9
73.02936	12.8
77.25969	2.1
79.75031	2.2
84.88756	2.3
85.02943	11.7
87.00836	3.0
89.02430	38.0
90.31210	2.9
96.96011	4.3
97.38409	2.2
99.00864	3.8
101.02433	44.7
113.02433	18.9
116.75243	2.4
119.03490	10.5
123.00883	3.1
124.01657	11.4
125.02402	4.0
131.03465	2.5
138.03224	18.6
139.04036	17.2
143.03519	4.5
150.82527	2.3
161.04602	5.2
168.28127	2.2
179.05580	3.2
181.05095	3.6
221.06725	4.7
323.09467	3.0
410.78806	2.5
625.19843	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	625.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.4
69.68835	1.5
71.01369	12.9
72.46845	1.5
81.27454	1.5
84.64939	1.5
85.02943	6.6
87.00868	2.3
89.02409	2.1
101.02422	9.0
113.02427	3.4
123.04514	1.5
133.02951	2.8
138.42566	1.6
149.02451	8.7
149.06007	2.1
150.03218	53.4
151.39034	1.6
164.04811	6.1
165.05556	100.0
180.04253	9.4
181.08653	2.9
195.06647	19.1
314.11646	2.0
325.12726	3.7
329.14001	14.3
403.13989	8.4
473.18204	16.1
491.19278	9.6
521.20428	3.0
533.20270	24.7
581.22668	46.7
625.29840	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	625.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72229	1.9
55.15705	2.4
59.01387	18.0
71.01389	5.8
79.11993	2.1
85.02929	2.4
89.02438	12.3
92.19981	2.6
97.87083	2.3
101.02428	10.9
113.02422	9.2
125.09709	10.6
135.08130	10.9
153.09184	30.0
171.10231	5.0
197.08171	10.9
205.21552	2.5
215.09338	12.3
231.76540	2.7
240.73279	2.4
304.50839	2.8
390.32187	2.4
449.22723	2.5
476.37170	3.2
521.94733	2.6
539.19916	2.6
581.20953	100.0
625.18158	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	625.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93541	0.6
52.80170	0.8
59.01380	18.0
69.03443	1.3
71.01370	10.5
73.02927	1.3
73.79494	0.9
83.01392	0.7
85.02916	2.0
87.00858	4.4
89.02434	14.2
93.03447	1.1
101.02427	9.7
113.02407	4.8
117.10259	0.7
119.03497	8.6
120.28000	0.9
125.09700	7.5
134.16986	0.8
135.07210	1.1
135.08145	18.2
143.03481	1.6
149.05965	1.0
153.09193	32.0
161.04446	1.4
169.08693	3.6
171.10255	12.2
177.05583	1.2
179.05644	1.9
179.07112	1.9
179.91525	0.9
197.08174	12.4
214.66122	1.0
215.09238	12.1
239.05602	3.8
239.09256	1.2
255.65227	0.9
257.10178	1.3
287.11377	0.8
305.61710	0.9
521.18774	1.2
539.19800	5.3
581.20831	100.0
625.27100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88341	0.8
52.03945	0.8
58.66763	0.8
59.01387	1.9
60.99304	14.2
68.31683	0.8
71.01374	1.2
87.00864	1.3
88.98795	100.0
89.02422	7.6
96.96018	1.1
101.02428	1.2
103.00406	0.9
108.02127	1.0
113.02373	1.5
125.70174	1.1
152.01152	3.5
162.03142	1.0
163.04016	1.4
167.03464	11.2
234.33618	1.0
299.12967	1.9
329.13995	3.9
373.12930	7.9
377.12521	1.4
540.61584	0.9
581.24835	1.5
589.82324	0.9
625.27063	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	625.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.3
75.80435	0.9
92.19305	0.9
108.02156	15.8
111.47120	1.0
123.04498	17.2
141.62325	1.2
152.01132	59.3
166.02837	1.2
167.03479	100.0
167.64516	1.0
167.82948	0.9
209.79868	1.0
581.18835	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	625.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.5
60.92630	1.2
64.47598	1.1
67.40911	1.3
71.01382	1.7
74.11599	1.3
80.15374	1.2
88.51199	1.4
89.34789	1.3
101.02441	2.6
104.25319	1.2
113.02445	2.1
114.91521	1.5
117.75536	1.2
123.00867	2.3
138.03201	9.6
153.05544	3.1
166.46983	1.6
166.99841	10.0
182.02209	96.6
197.04556	100.0
201.57965	1.3
250.08389	1.5
517.12885	1.5
521.32458	1.5
581.18890	31.3
581.27417	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	625.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48587	0.7
58.18067	0.7
59.01380	2.2
84.54211	0.9
95.26786	0.9
96.96008	3.5
123.00892	4.6
130.37813	0.9
138.03232	14.3
153.05565	8.3
166.99829	10.4
182.02213	97.3
196.03859	1.3
197.04552	100.0
217.83481	1.0
296.62729	1.1
430.74548	1.1
581.18829	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.6
65.23978	1.5
71.01386	1.9
73.32631	1.8
81.76311	1.6
85.02937	40.6
87.00829	2.6
87.75634	1.6
96.95991	6.0
107.05006	7.9
111.00849	24.4
116.04988	1.6
129.01920	13.9
133.06572	6.8
135.04504	2.5
147.03036	2.1
149.06052	19.5
151.93193	1.6
177.05537	19.7
179.03470	37.4
205.03520	41.0
221.04439	2.8
223.04587	100.0
239.03177	2.6
239.05615	67.6
254.73711	1.9
309.58270	1.7
309.62332	1.7
356.16968	1.8
385.07654	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	624.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28059	0.4
61.01627	0.5
77.47992	0.6
89.62423	0.6
103.10391	0.6
107.03602	0.7
130.08681	0.9
130.64627	0.6
133.01540	5.3
143.68596	0.6
150.04199	100.0
282.08432	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.8
112.07666	10.1
113.06052	3.5
121.63658	0.9
129.10323	5.8
130.08713	13.2
200.12265	1.0
207.15044	6.9
213.06355	0.9
224.17645	4.7
225.16083	25.3
239.41330	0.9
298.55920	0.9
320.23395	4.5
337.26202	4.5
338.24411	3.7
433.31937	1.3
443.74268	0.9
450.34641	4.8
461.01520	1.0
501.04086	1.0
546.40326	12.0
564.41333	100.0
624.43677	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12730	1.3
52.21513	1.3
57.03442	8.1
59.01377	100.0
62.85626	1.8
66.78332	1.5
69.15926	1.7
71.01386	12.1
73.02933	10.1
77.06632	1.6
80.31253	1.4
80.98010	1.5
85.02939	7.8
87.00836	1.6
89.02428	6.4
101.02437	17.2
113.02421	10.4
115.07639	2.4
116.19717	1.7
124.07659	8.1
138.09239	10.8
155.10703	1.9
156.14787	1.6
161.04483	5.6
161.07169	1.5
164.04758	2.4
165.31355	1.5
168.06680	6.0
173.11819	30.5
208.03796	6.1
215.08241	20.9
228.17296	1.5
233.09229	6.5
241.09856	16.8
284.52109	1.9
302.20630	1.6
305.15973	3.6
347.17075	43.5
380.19852	2.7
405.21323	3.2
441.30545	1.8
519.31921	3.8
549.26685	1.8
579.26300	3.0
579.34521	2.4
593.25922	5.9
623.27527	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71550	1.4
57.03439	2.4
57.09171	1.6
59.01380	41.9
71.01375	23.1
73.02935	8.2
83.01403	2.0
85.02936	9.9
89.02419	4.0
90.34492	1.8
91.16335	1.9
94.96080	1.9
100.11504	1.7
101.02415	10.7
113.02437	18.9
122.06123	1.8
124.07664	55.5
138.09230	49.1
148.51134	1.8
150.05682	2.2
161.02428	2.6
161.07191	6.7
168.06648	31.2
168.10272	3.4
176.04768	3.8
189.10422	7.4
191.07108	3.4
194.05896	7.4
197.93832	1.8
201.15013	2.6
209.08202	12.9
213.06749	3.1
214.48912	1.8
215.08252	82.7
215.11847	7.0
231.11369	3.2
233.09322	17.9
239.11858	10.2
241.09814	73.1
257.09418	13.4
257.11700	1.9
259.10916	12.5
275.10419	3.2
345.19153	4.1
361.66281	2.1
363.20392	2.7
380.19690	16.3
398.20786	4.4
405.21194	13.6
410.20740	4.1
519.32526	2.7
549.27277	3.5
563.21362	4.1
579.26367	5.5
579.34119	9.1
593.26373	13.1
623.27240	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	623.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18169	1.7
59.01382	38.0
62.35878	1.9
64.58440	2.1
66.05415	1.9
69.96817	2.1
71.01369	40.6
73.02934	14.9
77.87951	1.8
79.30364	2.2
83.01381	3.5
85.02957	9.1
87.00877	5.0
89.02435	51.6
96.95967	3.3
99.00920	2.3
101.02431	41.3
111.04510	2.4
113.02443	32.3
115.83060	2.3
119.03491	16.3
126.60738	2.0
129.05592	3.3
131.03513	20.2
131.04330	2.4
143.03468	2.6
145.05055	5.3
153.33691	2.1
159.02930	3.6
161.04561	36.3
165.09196	24.8
166.66399	2.2
179.05585	14.3
180.54514	2.5
190.58223	2.2
203.10690	2.8
221.06697	23.9
238.18111	2.4
263.07611	16.3
343.11560	2.3
397.13547	14.1
563.23505	100.0
579.21832	3.2
623.25311	8.9
630.57111	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	26.4
67.01447	1.2
71.01374	8.3
73.02933	18.8
77.22389	1.3
83.01366	2.6
89.02442	1.9
89.26889	1.2
90.17162	1.2
98.70526	1.2
100.05892	1.2
101.02443	17.4
113.02448	7.3
119.03448	1.3
134.65871	1.0
140.25317	1.3
149.04478	1.8
149.40388	1.1
151.03983	1.5
161.02437	27.3
161.04558	5.1
161.25018	1.2
176.04770	36.7
179.03487	41.3
179.06975	1.5
184.32965	1.3
188.31013	1.2
191.07208	15.6
194.05836	100.0
209.08182	93.0
216.20580	1.1
311.09351	9.4
325.10818	1.3
326.11575	12.1
341.13916	7.7
341.17783	1.2
439.45618	1.3
543.20587	1.4
579.23395	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	623.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70698	2.1
56.47606	2.5
59.01380	63.1
66.18680	2.4
70.26438	2.4
71.01375	15.1
73.02941	43.9
73.82699	2.5
82.54749	2.4
83.01376	5.2
85.02956	4.2
89.02432	5.9
95.38514	2.4
101.02429	32.0
113.02406	13.6
131.03490	2.9
161.04514	3.0
179.03535	5.7
194.05789	19.5
209.08191	100.0
221.06635	4.6
240.58055	2.5
419.17242	25.3
452.77872	3.5
563.21594	12.2
623.23523	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
65.02178	9.1
71.01364	41.4
73.02943	20.1
73.81252	7.5
83.01392	19.8
85.02953	13.6
89.02411	10.3
101.02431	62.2
113.02420	49.1
161.04565	9.9
195.98325	8.1
288.75946	9.6
475.21680	11.0
493.22998	72.8
535.23798	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51455	3.5
54.34137	3.4
57.01019	3.5
59.01376	100.0
62.73326	3.9
68.72721	4.0
71.01372	42.1
71.66837	3.9
73.02935	18.8
83.01378	7.1
85.02933	23.8
89.02422	6.8
92.19897	4.6
99.00857	9.6
101.02435	58.4
108.34534	4.6
112.34272	3.8
113.02415	44.1
125.02450	4.7
143.03534	7.0
161.04546	8.2
161.96342	4.1
169.09647	4.0
178.70390	4.4
193.93661	4.3
270.97662	4.3
331.17395	4.3
433.20593	6.9
475.21646	9.9
493.22885	69.6
535.24036	90.0
544.88641	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	623.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61225	6.6
50.94789	6.3
59.01376	89.9
84.02362	7.9
90.51772	7.3
107.72122	7.4
115.91967	10.6
150.03218	84.0
165.05573	100.0
195.06609	38.9
326.82529	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	623.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	26.2
66.28985	27.5
86.56439	24.1
108.02135	44.5
108.84313	25.5
120.38302	20.7
135.28200	22.8
163.46568	26.9
177.05453	28.6
178.02716	55.3
193.05038	32.8
258.45361	22.8
269.38782	25.1
331.97574	27.0
332.92612	26.9
339.08740	40.6
352.72580	26.6
623.22278	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	623.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63156	5.3
56.18767	4.8
59.01370	100.0
62.41248	5.9
71.01382	27.8
73.02936	26.9
80.61630	6.1
83.01392	8.5
85.02929	10.3
87.56261	5.3
89.02441	22.4
98.04835	5.8
101.02422	35.8
113.02425	29.9
130.41418	6.6
161.04573	10.0
210.45517	6.8
214.63004	7.3
348.84335	7.7
427.37512	6.4
433.20477	8.0
475.21719	7.9
493.23129	59.1
535.24005	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	623.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57270	0.3
58.31355	0.4
65.56915	0.4
68.25588	0.3
78.95895	2.8
79.95727	1.9
92.19984	0.5
96.95996	100.0
96.96882	4.5
101.02460	0.4
135.04533	6.5
165.05557	2.1
182.02174	2.3
193.05025	0.7
197.04582	7.1
206.90108	0.4
211.86562	0.4
271.09979	0.5
315.08948	0.6
363.10916	0.5
525.16168	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	623.162
Annotation	isorhamnetin-3-rutinoside
Peak:m/z	Relative Intensity
53.04342	0.9
56.70232	1.0
57.53535	1.0
59.01383	3.0
67.85834	1.2
70.38802	1.0
71.01348	1.4
73.02932	1.6
101.02409	2.7
122.35731	1.1
123.90633	1.3
166.27731	1.2
214.56702	1.2
243.02969	10.0
255.02979	4.9
257.04617	2.0
271.02527	18.4
272.03207	2.9
285.04123	8.4
286.04742	2.3
287.05508	2.0
299.01965	59.4
300.02750	68.1
314.00702	1.7
314.04343	60.0
315.05109	91.3
623.16199	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	623.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.1
65.03966	0.9
69.38377	0.7
71.01358	1.0
79.74057	1.0
81.03469	0.9
82.07002	0.8
83.05001	0.9
86.83605	0.7
87.00864	17.1
92.11501	0.7
93.03445	14.8
101.02431	1.1
102.62311	0.7
109.02951	1.5
109.21723	0.7
110.03736	3.3
111.00866	44.7
111.04504	11.3
113.02345	0.8
129.01996	0.8
134.03746	1.3
134.04716	22.7
135.03101	4.7
135.05055	4.4
137.02432	21.1
137.03389	1.4
144.76907	0.8
145.01372	1.4
154.68987	0.9
155.03471	5.7
163.08273	0.8
174.98024	1.5
176.99580	3.7
192.99046	5.2
252.47270	0.9
280.06818	9.8
281.00696	100.0
281.07285	7.8
331.14020	1.0
338.19595	0.9
526.94855	0.9
567.31720	1.0
584.57025	0.9
623.12262	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81038	0.3
53.95594	0.3
59.81774	0.3
65.39589	0.3
78.95863	0.3
79.95732	2.1
96.95997	100.0
109.55414	0.4
114.05532	0.4
123.04555	0.4
152.01167	0.5
165.05554	0.9
167.03470	3.4
195.06645	0.8
258.91531	0.4
525.16309	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	622.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51554	1.1
55.49166	1.2
57.49476	1.1
59.01373	37.1
70.70200	1.1
71.01363	12.0
73.02940	18.7
79.51525	1.1
83.01360	5.1
85.02940	6.4
86.02455	7.3
89.02426	10.7
95.31430	1.5
101.00642	1.8
101.02418	20.1
113.02423	12.5
119.01727	1.8
119.03458	2.6
131.01698	2.8
134.19412	1.6
146.48814	1.1
185.76051	1.3
202.05147	1.8
262.07086	2.4
269.15823	2.6
287.16736	1.9
331.69589	1.7
382.82916	1.7
449.22205	5.3
491.23163	5.7
578.26343	100.0
622.25684	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	622.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49814	1.5
51.33608	1.7
51.88116	1.5
59.01385	41.3
62.25473	1.6
71.01376	16.3
73.02942	3.6
85.02943	3.6
86.02461	8.3
87.00825	2.1
89.02429	9.7
101.00639	2.3
101.02445	18.3
113.02415	14.1
119.03510	2.4
146.27991	1.7
159.01180	1.5
161.04614	2.0
287.17096	3.6
403.13348	1.9
449.22101	8.4
491.23395	3.6
578.26495	100.0
594.72693	1.8
619.35919	2.1
622.26086	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	622.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09664	0.3
53.99021	0.3
59.01374	1.0
68.86131	0.4
71.01377	0.9
73.02927	0.8
75.00847	2.8
81.75304	0.4
83.01380	0.6
87.00858	2.4
89.02446	0.7
99.00886	2.9
101.02409	0.5
107.03648	0.9
117.01904	1.7
134.04715	100.0
145.01428	4.9
150.04219	3.9
151.52211	0.4
176.05760	1.0
204.05269	7.2
240.12100	0.4
264.64655	0.4
280.06882	60.4
287.61948	0.4
469.14182	0.4
609.61908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86486	1.2
54.97287	1.2
57.03426	1.5
59.01371	2.2
65.29003	1.3
66.69814	1.3
73.35531	1.5
86.61092	1.4
87.00871	3.0
99.00860	2.3
99.04519	2.7
101.02389	1.6
117.01923	3.5
133.01375	2.1
134.04709	100.0
145.01408	3.5
149.20557	1.4
150.04208	8.4
192.31206	1.8
204.05241	9.2
261.87061	1.6
280.06860	59.6
310.61313	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3047
Annotation	Delavayin B
Peak:m/z	Relative Intensity
51.24435	0.9
53.07243	0.9
56.18568	0.9
56.58475	0.9
58.63012	0.9
59.01364	2.8
60.42152	1.1
63.43133	1.0
78.95895	26.8
96.96943	7.0
124.32979	1.3
129.58530	1.1
152.99568	68.4
153.06320	1.1
171.00621	2.0
181.35574	1.1
223.00124	9.7
223.01990	1.3
241.01218	23.8
305.24866	75.9
315.04919	4.9
348.38388	1.3
621.30493	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	621.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	96.8
62.21275	1.4
66.98847	1.4
71.01376	11.0
73.02944	7.0
81.98712	1.3
85.02946	7.4
85.49234	1.4
89.02439	2.4
99.00874	1.8
99.49408	1.4
101.02419	13.0
113.02451	6.6
124.07646	1.8
125.02436	1.6
128.69502	1.5
148.41548	1.4
148.69530	1.5
153.09184	8.4
161.04539	2.8
174.92267	1.5
187.09753	33.1
197.08223	2.4
199.13425	21.7
290.18289	1.6
373.25903	2.2
396.15714	9.6
401.79327	1.8
577.32373	100.0
621.25677	8.0
621.35754	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	621.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37429	3.6
53.50896	3.6
59.01378	47.3
64.59283	3.9
70.50110	4.3
71.01366	51.7
71.29241	4.0
73.02945	22.5
79.49377	3.7
83.01388	6.0
85.02933	14.7
86.72288	4.2
87.00853	6.2
89.02427	43.4
101.02425	47.7
113.02454	32.9
119.03445	5.3
131.03499	14.6
161.04521	28.2
193.12387	4.6
215.08260	5.2
229.06134	5.9
276.85712	4.4
297.69922	4.2
302.08011	20.2
317.10245	6.1
386.89951	4.9
459.16592	6.5
463.20447	4.3
577.25116	100.0
577.33276	7.5
583.25903	44.8
621.23871	73.4
629.13153	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	621.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42908	1.4
54.14875	1.4
55.01869	1.7
56.56267	1.4
57.03465	1.5
59.01086	2.9
59.01376	77.3
60.05163	1.3
71.01375	37.6
73.02946	12.7
75.00846	1.9
79.17937	1.4
83.01385	3.3
83.29224	1.5
83.64208	1.5
84.58943	1.5
85.02921	17.8
87.00864	7.1
89.02435	25.2
95.01326	2.3
96.15298	1.4
96.95951	1.9
99.00875	7.3
101.02435	37.1
112.01595	1.6
113.02430	31.3
115.14847	1.5
119.03465	6.2
125.02426	8.6
129.96585	1.8
131.03490	7.3
131.18201	1.6
143.03496	3.9
161.04536	17.1
179.05653	2.5
180.08430	1.6
181.12387	2.7
186.83609	1.6
189.12852	7.7
201.12912	2.4
202.53165	1.7
207.13948	2.0
219.13875	17.0
221.06660	6.3
235.08298	3.9
249.21236	1.6
351.18036	2.0
362.64813	1.7
373.73590	1.5
387.09219	2.3
399.20270	8.1
417.21494	6.6
459.22467	19.7
483.34927	1.6
517.67645	1.6
561.25525	6.5
577.20563	5.9
579.26642	32.4
621.27704	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	621.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89195	2.3
53.80886	2.6
57.03447	46.8
59.01381	28.3
68.98904	2.6
89.74091	2.9
96.95938	3.2
99.04507	78.5
101.02399	4.9
121.23671	2.8
124.75073	3.2
125.02432	15.9
135.04504	37.3
135.06639	5.5
161.01195	4.6
161.02437	77.6
161.04492	5.2
161.69139	3.6
179.03477	85.0
179.05078	4.3
179.05675	3.0
205.71927	3.7
215.70074	3.0
279.10822	100.0
311.32635	3.3
341.08752	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03782	0.4
51.12410	0.5
57.03445	6.8
59.01374	11.6
67.19355	0.6
71.01357	4.5
72.44685	0.5
85.02953	0.8
87.00905	0.6
88.10039	0.6
89.02427	7.9
90.95414	0.5
96.96014	0.6
99.04503	13.0
101.02422	7.4
101.06119	0.6
113.02446	4.3
117.05562	34.3
119.03488	5.1
125.02407	2.3
135.06786	0.7
140.23015	0.6
143.03465	0.7
145.46503	0.7
159.06670	0.9
161.02338	0.6
184.44844	0.6
190.00156	0.6
279.10846	100.0
350.62045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59933	1.1
53.30537	1.0
57.03454	1.1
60.40982	1.0
74.08324	1.3
77.45621	1.1
87.00808	1.4
93.03443	7.7
102.98320	1.2
120.04514	2.5
121.02942	5.8
133.02870	1.9
135.04530	22.7
161.02431	100.0
161.04572	5.2
179.03491	50.3
179.05649	10.3
186.21548	1.4
235.10854	17.5
279.09924	2.2
317.91904	1.3
341.08783	96.5
503.14087	1.6
556.58673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
59.01377	2.4
65.13644	1.1
85.02946	1.2
87.00858	2.3
89.02454	1.8
96.22276	1.1
96.95988	2.0
99.04490	5.5
103.48706	1.3
115.91051	1.1
117.01987	1.1
117.05579	8.5
125.02384	1.4
133.02928	1.8
135.04492	18.9
161.02426	100.0
161.04486	3.0
179.03477	47.5
179.05580	7.2
279.07413	1.6
279.10873	24.0
341.08774	78.5
622.77124	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	621.1828
Annotation	Embinoidin
Peak:m/z	Relative Intensity
52.78729	2.1
54.74254	2.4
55.24271	2.1
57.41550	2.2
59.01385	5.7
71.01392	3.4
73.69558	2.7
89.02403	4.4
89.22141	2.2
90.12984	2.5
92.19364	2.8
96.95989	13.2
101.02424	5.8
103.56267	2.5
113.02425	3.1
123.04500	3.9
126.36993	2.5
161.04637	2.6
174.02840	2.6
175.50995	2.6
177.12648	3.0
189.05614	2.8
191.03601	2.6
191.28429	2.8
203.03514	6.1
218.85101	2.7
229.08757	24.2
255.06613	3.1
262.04929	4.3
273.56610	2.3
297.07632	34.7
307.09793	2.5
309.07697	28.5
339.08698	12.2
351.08551	4.4
369.09802	61.9
391.60602	2.8
491.19330	2.5
531.15015	24.2
621.18225	100.0
621.28650	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	621.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75840	0.5
54.92188	0.5
59.01378	3.2
61.97211	0.6
63.95341	0.5
70.18069	0.5
71.01406	1.7
73.02949	0.8
78.95884	5.1
89.02428	0.9
94.71140	0.6
96.95998	100.0
96.96901	8.5
101.02427	2.4
110.70515	0.7
113.02422	1.1
190.90755	0.6
200.23479	0.6
557.77209	0.8
621.26178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13252	2.3
58.02962	6.4
64.14597	2.7
70.02966	5.3
85.02934	24.8
91.05524	5.7
93.03436	5.1
111.00879	5.4
121.02953	47.1
129.01938	3.8
147.04510	17.1
164.07161	95.5
193.66331	2.9
205.03603	5.2
206.08217	100.0
223.04593	15.9
250.07184	3.6
369.08328	17.6
379.94379	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	621.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01081	2.7
59.01371	4.0
63.47921	2.4
65.18470	2.3
66.28127	2.4
67.98666	2.4
70.36224	2.4
70.58046	2.6
73.48330	2.4
85.02955	3.6
96.95983	5.0
102.55452	2.6
123.04520	4.2
161.06076	5.0
189.05579	25.9
204.04298	23.0
229.08676	16.5
232.03683	23.3
233.04651	5.2
236.03233	6.1
255.06627	10.7
295.09821	31.3
297.07626	4.9
309.07593	13.6
338.07883	6.4
339.08725	100.0
349.76636	3.3
459.75778	3.1
501.14105	44.1
527.80817	2.7
621.18066	87.2
621.27295	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	619.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51040	1.2
55.01879	1.9
59.01377	47.5
71.01375	39.2
73.02939	15.8
74.39984	1.3
75.14960	1.2
77.61471	1.2
83.01380	9.7
85.02932	20.0
89.02422	7.6
95.01363	2.9
97.02915	2.1
99.00851	5.4
101.02433	35.8
111.48965	1.3
113.02425	27.5
119.03429	4.6
125.02428	2.4
131.08670	1.3
134.62160	1.3
151.11229	10.0
159.02933	1.6
159.67924	1.3
161.04562	11.0
161.91327	1.6
193.03545	1.5
195.10252	10.3
209.08002	1.2
221.06813	1.3
223.16917	1.6
290.27744	1.3
372.86792	1.4
391.13882	1.5
406.16370	2.3
418.00784	1.3
421.18570	13.4
559.27692	1.5
575.19885	11.4
577.28510	14.8
583.24060	2.5
619.29724	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	619.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01377	26.5
67.65617	0.7
69.78353	0.7
71.01368	13.3
72.99283	3.2
73.02921	1.7
75.00862	22.4
83.01378	1.3
85.02932	25.3
85.68694	0.8
87.00850	7.6
89.02427	7.1
89.02895	0.8
91.79243	0.7
95.01352	1.3
99.00858	7.2
101.02406	7.4
102.75371	0.7
113.02429	27.1
115.00344	1.4
115.34039	0.7
117.01900	1.3
119.03463	1.6
136.07764	0.8
138.64726	0.7
140.29289	0.7
161.07204	1.1
213.06668	1.5
215.08287	3.8
233.09184	0.9
241.09796	1.1
242.05586	0.7
410.16309	0.8
619.29651	100.0
635.37720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2382
Annotation	Rubellin
Peak:m/z	Relative Intensity
57.95554	3.5
59.01372	19.8
63.29790	2.6
63.92725	3.2
71.01376	20.0
73.02927	3.8
73.04402	3.2
85.02936	4.9
87.16181	3.9
89.02431	4.7
90.47003	3.5
95.86141	3.6
101.02396	14.3
113.02425	4.6
161.04546	4.0
242.13403	3.5
353.10403	3.4
556.26447	3.9
575.22711	4.6
583.25983	35.2
619.23706	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	619.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	57.5
71.01368	40.4
73.02927	11.9
73.67290	2.3
74.04569	1.8
83.01369	9.1
85.02927	16.8
87.00848	3.9
88.52563	1.8
89.02430	14.1
95.01379	3.7
97.31401	1.8
97.87833	1.9
99.00848	3.8
101.02442	35.9
113.02424	23.4
118.11791	2.1
119.03476	4.0
125.02404	2.4
144.28566	1.8
159.03021	2.7
161.04549	10.1
209.15417	8.5
221.06642	2.6
344.40067	1.8
353.19653	2.2
371.20792	4.2
413.21890	6.8
415.16183	1.8
533.26251	7.8
575.27075	100.0
619.29358	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	619.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14548	10.1
59.01367	69.6
71.01364	47.7
77.93823	11.9
82.21031	12.3
89.02425	17.2
91.31654	13.0
96.95999	100.0
101.02428	59.9
110.04366	11.5
113.02441	48.1
128.65820	14.6
197.04570	17.1
464.70331	12.5
619.23462	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	76.7
59.01675	5.5
71.01375	71.7
73.02940	18.8
83.01379	4.7
85.02950	19.7
87.00871	17.9
89.02431	73.5
99.00888	5.9
101.02441	73.2
107.02476	3.2
113.02446	53.0
119.03480	22.4
125.02434	4.2
128.60304	2.9
131.03482	27.5
137.96068	3.1
143.03455	6.5
143.04549	3.8
147.11771	13.0
151.83649	3.8
159.02959	4.3
161.04559	37.0
164.04803	12.5
179.05623	32.9
179.07181	11.5
181.90103	3.1
221.06697	32.8
242.88283	3.4
263.07626	15.3
575.23596	100.0
619.25800	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	619.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86874	1.1
54.55693	0.9
59.01372	18.0
71.01373	8.7
72.84498	1.0
73.02927	5.5
75.65489	1.0
78.68257	1.2
85.06603	1.4
85.64687	0.9
89.02424	15.7
92.19366	2.4
101.02421	13.4
113.02429	8.7
113.06030	1.6
117.15186	1.2
119.03587	9.1
119.04996	28.7
125.19971	1.1
131.07120	53.1
132.08443	1.2
135.03253	1.1
160.52299	1.2
163.04039	9.6
194.05780	2.0
199.33821	1.2
209.08183	2.3
237.68069	1.1
239.05647	1.6
293.12427	100.0
325.09348	9.2
472.70697	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	619.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02690	3.1
56.87551	3.6
59.01373	5.2
61.98830	3.4
66.36127	3.3
101.02427	5.2
144.91989	4.8
149.02377	4.7
150.03210	23.3
152.15002	3.6
164.04716	5.6
165.05562	63.6
195.06648	20.8
239.11885	4.4
244.45412	4.2
326.11615	4.3
327.44281	4.3
339.08704	7.6
342.10858	5.2
357.13150	5.9
362.18768	5.0
369.13419	7.6
495.05969	4.4
535.19861	26.5
583.22003	100.0
619.28546	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	619.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
71.01369	42.5
73.02932	79.9
73.29534	6.1
74.37436	4.8
76.43336	6.4
83.01369	10.3
83.29333	5.7
85.02945	13.9
85.48182	5.0
89.02420	27.7
96.95995	11.7
101.02433	58.1
113.02419	12.0
119.03519	6.6
119.04990	8.3
125.02412	11.0
131.07109	13.1
134.04884	5.6
138.90672	6.0
161.02422	8.6
161.04509	12.2
176.04819	25.6
179.03462	27.5
191.07150	9.3
194.05864	77.9
209.08154	62.4
263.07626	9.3
293.12375	46.1
323.09818	8.7
365.10754	64.5
481.20020	7.0
562.05341	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	619.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.9
59.01371	28.1
61.56211	1.9
63.36754	1.8
71.01363	23.8
72.99293	2.8
73.02934	9.9
75.00860	24.9
82.31041	1.8
85.02939	22.7
87.00846	8.9
89.02422	11.8
92.19366	2.0
95.01362	2.4
95.05006	4.3
97.02908	2.5
99.00853	5.0
101.02445	7.2
113.02428	44.7
119.03483	2.5
120.98870	2.1
125.02360	2.2
131.03438	2.7
151.11284	21.4
161.04420	2.8
166.35826	1.8
180.78438	2.1
195.10274	23.3
213.07494	2.1
329.29562	2.3
397.09769	2.3
575.19824	100.0
613.63971	2.2
627.90778	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41481	0.8
57.03435	1.4
59.01375	25.9
59.25274	0.8
69.03433	1.0
71.01369	19.3
72.99294	1.9
73.02924	3.8
75.00859	20.5
83.01370	1.1
85.02934	24.1
87.00866	6.9
89.02416	6.6
92.19952	1.3
95.01397	1.6
95.04977	3.5
97.02948	1.2
99.00860	7.7
101.02402	6.8
113.02429	36.1
115.00356	3.6
117.01910	1.8
119.03454	0.9
125.02415	1.2
131.03479	1.9
142.66992	1.0
151.11269	6.5
157.01398	1.1
161.04449	0.9
173.04492	1.1
175.02498	1.0
177.09207	3.2
195.10318	11.4
246.99359	0.9
397.09818	1.3
541.27783	1.2
575.19818	100.0
619.19348	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	619.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81766	1.5
56.59233	1.6
57.05293	1.5
57.30228	1.5
59.01370	16.5
66.59205	1.8
66.98779	1.6
70.34552	1.6
71.01365	7.9
73.02943	7.2
78.91690	1.6
78.95886	1.9
80.87347	1.7
81.85416	1.6
82.06602	1.6
83.01365	1.9
85.02939	1.9
86.75467	1.6
87.00857	2.4
89.02427	3.0
96.95989	21.5
96.96964	7.2
101.02431	10.7
113.02406	7.9
125.02351	1.9
161.04642	2.1
165.05574	6.1
179.03528	19.2
185.92325	1.8
194.05840	100.0
195.06723	2.5
201.79979	1.7
209.08188	89.6
225.07602	6.9
276.40637	1.7
373.12915	4.0
421.14966	3.0
575.20026	4.3
583.19672	6.2
619.29193	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	619.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85939	0.3
56.13155	0.3
59.01123	0.3
59.01372	2.9
59.53331	0.3
61.16401	0.3
61.16739	0.3
71.01373	1.4
73.02927	0.3
75.84579	0.3
78.95888	3.4
79.95734	0.7
85.02927	0.5
89.02409	0.3
92.19962	0.3
96.95994	100.0
96.96881	6.5
101.02409	0.8
112.55360	0.4
113.02457	0.6
129.70836	0.3
136.09045	0.4
141.44409	0.3
146.75378	0.4
161.04550	0.4
523.29956	0.4
536.72791	0.3
619.16986	0.5
619.29810	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	618.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.7
61.98832	3.1
69.55782	1.5
71.01387	2.5
74.02460	9.7
75.00868	3.0
75.67023	1.5
81.20958	1.8
85.02926	2.2
86.02476	3.9
99.05634	10.1
113.02431	7.4
128.03539	34.1
143.04616	56.1
146.04669	3.8
167.04604	2.6
179.04559	4.0
210.08813	10.4
254.07872	1.8
272.08871	25.0
327.14145	7.6
345.15298	100.0
396.55692	1.9
422.13861	1.8
443.57715	1.8
600.23450	2.0
618.24866	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49570	1.2
54.72780	1.1
59.01377	6.2
61.98829	100.0
71.01355	1.7
75.00880	3.1
80.57114	1.2
85.02921	5.2
94.67285	1.4
96.30862	1.3
101.06063	1.7
113.02418	3.3
114.45663	1.4
128.03456	1.8
143.04593	7.9
161.37102	1.6
272.08716	2.1
305.64688	1.7
345.15228	9.8
416.79697	1.8
580.40936	2.8
614.67871	1.4
618.28619	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	618.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74246	1.0
58.18364	1.0
60.75718	1.0
61.98829	100.0
62.74518	0.8
67.26599	0.9
71.64725	1.1
73.76189	0.9
76.30132	0.9
84.85181	1.1
113.02431	1.4
253.52901	1.1
262.02377	1.1
268.23465	1.0
393.00140	1.1
618.27899	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	617.3712
Annotation	Cimiaceroside A
Peak:m/z	Relative Intensity
50.99504	1.0
51.66676	1.1
58.02961	5.8
59.01388	8.0
62.06447	1.1
64.76601	1.0
69.06136	1.0
71.01357	5.5
73.02943	2.8
81.65035	1.0
85.02910	1.9
89.02397	1.8
93.18292	1.1
97.02935	10.0
99.04456	1.3
101.02419	6.8
113.02410	2.8
121.06552	1.7
145.67633	1.1
162.09221	1.2
172.07611	4.6
183.08089	1.4
195.08369	1.3
198.09218	2.8
200.10811	2.0
201.10359	9.8
202.12375	1.5
203.11771	1.4
212.10684	1.6
214.12436	1.4
215.13248	2.0
217.13443	1.4
219.11377	8.2
226.12355	5.1
228.13942	2.5
230.15424	5.3
231.11348	5.3
233.15390	2.8
235.16833	1.3
241.13475	2.4
255.15028	2.8
256.13330	2.0
256.15787	21.4
259.14563	1.9
271.18143	24.6
274.16864	15.7
289.19254	17.0
297.16092	4.7
300.14850	6.1
301.15637	2.3
315.17099	13.9
319.20212	1.9
333.18188	23.8
599.35364	1.9
617.28046	8.6
617.37085	100.0
624.36884	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	617.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41574	0.9
58.02972	5.2
59.01378	7.9
59.67647	1.2
66.68271	1.1
71.01379	5.7
73.02925	2.5
82.02977	13.2
85.02934	2.2
89.02419	2.1
97.02943	10.7
99.05621	11.8
101.02428	6.8
102.98586	5.6
113.02445	5.3
144.04599	1.2
149.02477	9.1
151.03960	2.5
161.04622	1.9
164.03383	2.1
164.04779	53.4
165.05557	2.5
172.07680	4.9
178.06340	2.2
179.05580	2.9
179.07120	58.6
183.08179	1.6
189.11749	1.4
190.08791	1.6
198.09204	1.6
200.10818	1.5
201.10275	5.1
203.11789	2.8
205.05090	6.2
207.05312	3.1
209.06883	4.8
213.11679	1.5
217.13309	1.8
219.11440	2.6
221.06531	1.4
224.09213	3.1
226.12431	6.2
226.56017	1.3
228.13968	2.7
230.15419	1.7
231.11290	4.9
233.06841	1.2
234.07741	12.0
241.13507	1.9
245.28030	1.5
248.09279	5.7
249.12431	5.9
255.15051	2.2
256.13361	1.9
256.15823	17.9
271.18103	18.4
274.16904	10.4
289.19211	16.1
297.16214	2.6
300.14804	5.8
301.19141	1.7
315.16989	9.6
318.14966	1.1
333.18195	17.1
353.15405	1.7
381.14536	23.3
395.16248	10.7
396.16946	12.3
409.17920	2.3
411.19214	15.3
423.70538	1.2
437.17725	1.3
455.18069	4.7
573.25519	2.4
617.23566	100.0
617.37091	88.8
617.47278	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	617.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38203	1.5
59.01378	35.2
61.98825	92.7
71.01378	37.2
73.02915	14.2
83.01366	3.8
85.02920	10.8
86.02470	10.2
87.00858	4.5
89.02428	21.2
99.00829	2.3
101.02430	29.8
113.02434	22.9
115.02654	1.9
119.03532	6.8
161.04572	4.1
165.12830	2.0
179.05620	15.5
221.06656	11.7
261.21902	2.3
263.07706	11.4
293.20596	2.3
348.25543	2.2
455.18134	2.0
554.29663	100.0
617.26740	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	617.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83473	0.5
59.01375	1.3
65.82655	0.6
100.16721	0.6
110.19836	0.6
123.02333	0.6
127.04213	0.6
133.02937	1.4
175.03998	1.2
177.01897	1.5
193.05055	0.6
219.08957	0.6
249.10054	68.6
249.27341	0.6
264.12402	100.0
278.10263	1.0
338.12653	0.7
338.16110	5.8
488.95023	0.7
553.34052	0.7
558.03394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99612	1.9
60.67015	1.6
75.42217	1.8
92.20013	2.7
121.44475	1.9
133.05347	10.0
134.06125	18.6
146.06116	2.9
149.36082	1.9
171.05640	3.0
187.05144	33.6
201.54739	1.8
214.76456	1.9
247.14510	53.3
257.12982	15.0
273.12445	2.0
292.86826	1.9
419.18454	10.4
522.23932	10.8
567.21271	3.8
567.29761	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	617.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43679	2.9
77.96600	3.0
92.19977	5.1
133.05333	12.6
134.06084	24.2
142.23534	3.6
187.05110	34.2
240.58710	3.2
247.14520	50.0
257.12936	12.2
301.47269	3.5
419.18558	3.6
522.23914	11.9
567.29694	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	617.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18100	1.3
59.01376	72.4
64.89203	1.6
69.03439	1.6
71.01371	55.8
71.48232	1.3
73.02934	20.0
75.00805	1.6
82.10753	1.6
83.01396	6.0
85.02947	24.5
87.00875	10.8
89.02426	45.9
95.01374	6.8
97.02941	3.4
99.00892	5.3
101.02436	57.1
113.02440	43.3
119.03510	15.6
123.96262	1.4
125.02440	3.7
131.03487	18.5
143.03497	3.0
149.02408	8.5
150.03218	21.4
152.01010	1.9
159.02965	3.3
161.04526	27.6
163.04012	2.3
164.04767	30.6
165.05556	72.1
179.05589	29.3
179.07143	14.5
180.04298	3.0
195.06612	18.2
203.05824	1.5
203.08060	1.5
208.03775	63.8
215.14407	1.8
221.06624	31.7
223.06113	100.0
233.15413	2.2
251.16525	20.8
263.07693	14.9
419.13406	16.3
455.22806	5.8
557.26068	2.1
575.27087	20.9
581.18744	71.3
617.18762	2.9
617.28229	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38064	0.5
55.01883	0.9
57.03436	3.2
59.01082	1.0
59.01375	25.5
61.07682	0.6
64.96115	0.5
69.99149	0.6
71.01368	18.2
72.99292	1.6
73.02943	4.4
75.00861	23.3
77.17338	0.6
83.01388	2.7
84.64607	0.6
84.82994	0.6
85.02935	26.9
86.00060	0.6
87.00883	5.6
89.02447	5.3
95.01357	3.7
96.95994	1.0
97.02910	0.9
99.00864	8.2
101.02438	6.7
103.00362	0.9
112.01616	1.0
113.01665	1.2
113.02431	31.0
115.00309	3.8
116.92712	0.7
117.01910	1.1
119.03490	0.8
129.01863	0.9
141.01891	0.6
161.04549	1.1
175.02483	1.2
222.76736	0.6
333.38177	0.6
457.51520	0.8
573.29401	2.7
617.28156	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	617.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70591	1.0
57.03452	1.4
59.01376	22.1
61.98822	3.5
64.89259	1.3
66.24690	1.2
71.01376	19.1
73.02938	6.0
75.00851	20.6
83.01424	1.5
85.02934	23.1
87.00833	5.3
89.02414	3.5
95.01371	2.0
99.00845	8.6
101.02418	8.4
113.02420	25.9
116.50500	1.4
171.72873	1.6
199.60504	1.8
239.11852	7.1
251.16568	10.4
308.17673	1.5
362.18726	5.3
409.75970	1.5
413.21857	2.5
602.45349	1.5
617.28119	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	617.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38013	5.3
56.11761	6.4
59.01379	75.3
61.98827	70.7
62.09230	6.3
63.97159	6.8
75.00868	9.7
90.03729	6.3
101.02442	27.2
103.00359	100.0
103.04015	91.0
112.33602	6.4
137.36780	7.4
148.04112	8.7
150.05588	41.1
174.04349	36.6
196.72076	7.4
201.35616	8.3
231.07620	15.5
232.08591	70.5
232.36324	7.8
243.07729	8.2
244.08441	11.2
264.92422	7.7
299.13953	10.1
382.17780	8.4
454.19754	60.8
617.25854	96.9
623.92535	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	617.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33324	1.4
59.01084	3.6
59.01376	100.0
71.01370	62.0
73.02934	34.0
73.59647	1.4
83.01382	10.9
83.05004	2.9
85.02943	22.9
87.00850	10.3
89.02425	50.3
95.01350	6.5
99.00854	3.9
101.02433	61.4
112.30550	1.6
113.02419	51.5
119.03485	17.2
125.02435	2.9
131.03461	13.4
131.77098	1.6
159.03006	2.3
161.04546	24.8
174.68591	1.7
179.05600	34.6
203.14221	2.2
221.06636	22.5
221.15388	12.0
241.42180	1.6
263.07697	27.6
395.20868	2.7
413.21695	2.1
415.40149	1.8
557.25702	17.0
573.28265	2.7
575.27026	21.3
592.30286	1.8
616.86310	2.0
617.18921	2.1
617.28271	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46664	3.1
59.01387	5.3
59.97248	3.6
75.00893	4.4
89.02415	19.7
92.19350	7.4
113.02432	4.5
122.04974	3.7
134.56230	4.0
135.18494	3.8
148.04010	6.4
149.04774	8.2
150.05595	24.1
150.09267	3.7
173.03571	4.6
174.04320	25.7
175.05157	4.3
178.02734	3.9
189.06613	7.5
190.07483	20.3
231.07652	19.1
232.08537	53.4
233.09518	3.7
243.07655	4.4
244.08519	18.2
245.09332	6.0
256.83072	3.7
271.75424	3.9
286.09500	6.0
299.14038	4.2
382.18069	5.9
454.19821	49.4
507.14886	4.0
573.25330	6.6
617.26318	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	617.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20958	1.9
57.61893	2.0
59.01377	28.8
65.70316	1.6
71.01366	14.4
71.06077	2.1
72.99275	2.8
73.02932	8.8
74.21462	1.9
74.55100	1.8
75.00855	9.3
85.02935	12.0
87.00879	2.4
89.02415	3.8
91.53158	1.9
101.02414	3.7
113.02440	17.8
123.06492	1.9
132.72246	1.9
133.27513	1.9
136.07652	21.9
158.93042	1.9
162.05554	11.3
173.10782	4.3
173.83128	2.3
193.06665	3.7
197.10704	2.0
199.08752	9.8
213.13972	15.4
225.10284	3.6
238.11002	3.5
239.11876	94.5
293.85056	2.1
295.06067	10.1
301.18939	2.0
308.17688	38.8
319.18097	3.8
320.17654	9.1
330.88718	2.0
333.14981	4.3
336.20807	10.2
362.18735	100.0
380.19852	35.1
406.18002	10.9
408.83505	2.2
410.20627	2.4
424.18829	24.7
436.18607	7.6
454.19867	10.0
543.25977	10.1
573.29736	19.2
587.25189	40.4
617.26794	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51531	8.6
59.01375	13.5
60.63783	9.1
71.01357	10.4
92.19897	11.7
149.02393	52.8
150.03215	88.4
162.99339	10.4
165.05586	100.0
195.06653	48.9
196.07393	44.4
211.09753	42.3
258.32184	10.8
286.54700	8.7
327.65726	9.3
377.94226	9.0
452.84485	10.4
454.19742	11.0
569.24121	83.7
617.26910	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13943	1.8
54.62502	1.7
59.01371	2.6
70.80390	2.6
71.01378	2.6
92.19949	3.1
92.89863	1.9
118.10732	2.2
136.07687	25.1
146.79053	2.7
149.04663	2.1
162.05559	4.6
189.10335	2.4
199.08795	11.2
213.13994	13.6
215.08275	13.6
233.09329	2.8
239.11877	84.5
268.08545	4.7
268.91974	2.4
286.09698	2.5
308.17654	35.3
333.14951	3.2
336.20740	15.6
360.17313	3.4
362.18787	100.0
380.19849	26.6
406.17725	18.9
424.18835	16.4
436.18918	5.0
454.19812	10.1
573.28680	4.7
587.25201	33.2
617.26074	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.5
71.01369	4.4
73.02928	12.3
87.00871	2.1
89.02431	11.0
92.19286	1.0
94.72605	1.0
97.45234	1.1
101.02427	6.6
109.09969	0.9
113.02431	2.4
118.67340	1.1
119.03487	2.1
143.03552	1.7
147.11763	1.8
149.09740	1.1
173.09709	5.1
174.10495	5.9
185.28517	1.2
187.11275	4.0
189.12849	100.0
190.31618	1.2
193.08676	1.9
233.11829	64.6
233.14189	2.3
323.09775	9.9
341.10760	4.9
350.22635	1.1
557.22308	29.5
617.25970	3.9
617.36975	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	617.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.0
63.68877	1.2
71.01379	6.4
73.02943	7.7
80.99087	1.5
85.02933	2.9
87.00854	1.8
89.02417	10.6
101.02436	8.3
105.78417	1.4
113.02421	2.7
119.03456	3.4
120.02014	1.4
147.11833	1.8
172.14168	1.5
173.09657	3.0
174.10484	9.1
179.05611	1.8
187.11295	3.6
189.12842	100.0
209.65280	1.4
229.27261	1.6
233.11804	73.3
323.09888	2.9
341.10764	5.4
557.22333	28.3
573.29242	1.7
617.25128	6.9
643.42413	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	617.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16654	10.5
60.55479	8.4
68.14738	9.8
78.63052	10.9
80.48048	9.7
83.22958	13.0
85.04761	14.0
94.43638	11.1
100.93362	21.9
101.71877	11.9
115.92010	21.4
116.92830	52.0
139.75769	12.4
145.78592	12.0
177.51515	11.4
253.06294	13.0
304.71808	11.3
399.08496	12.6
617.24042	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	617.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46487	1.5
59.01382	21.3
61.12571	1.8
71.01330	8.9
73.02901	2.0
75.00843	2.3
82.02963	2.9
83.33703	1.9
84.04488	8.6
85.02876	7.8
86.41994	1.8
87.00816	2.6
96.95944	2.7
99.00831	3.1
99.05566	9.1
101.02399	3.5
109.04025	4.3
113.02357	12.5
127.05122	48.0
128.03442	7.8
142.24750	1.7
149.02286	12.5
150.87596	2.0
151.95085	1.9
164.04776	49.4
167.51268	2.2
179.07123	64.0
184.50775	1.8
190.02704	18.1
205.05066	68.5
219.05196	2.0
220.05971	3.6
224.08995	2.3
229.09770	2.2
231.11185	7.5
232.09651	6.7
234.07445	9.7
248.09149	4.3
249.12425	39.4
274.41721	1.9
275.10217	2.2
279.63336	2.0
344.83276	2.4
353.11151	2.1
381.14569	13.7
395.15802	3.9
396.16525	9.6
437.16705	3.8
447.37363	2.0
455.18161	53.2
573.28522	3.9
594.38501	2.0
617.22925	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	617.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54608	1.1
53.19213	1.1
56.29010	0.9
58.02970	1.7
59.01377	4.3
71.01382	1.5
73.02921	1.4
82.02985	15.5
85.02961	1.3
89.02414	1.6
97.02936	5.3
99.05630	10.9
101.02428	2.0
102.98592	5.7
112.09454	1.1
113.02399	2.5
127.05146	1.7
128.03476	1.4
149.02425	13.0
164.04782	51.6
165.05545	6.8
178.06351	5.5
179.07140	66.7
192.02972	1.1
201.10342	2.5
202.12407	1.6
203.11801	1.3
205.05057	5.9
206.04619	1.1
209.06927	4.7
219.11377	2.4
220.06111	2.0
222.07726	1.4
224.09229	7.3
226.12410	4.9
228.14114	1.5
233.06894	1.5
234.07687	11.7
248.09360	3.7
249.12491	2.5
255.15024	2.4
256.13449	1.5
256.15848	9.8
271.18195	8.3
274.16827	7.4
289.19147	7.4
315.17206	7.0
333.18173	12.3
353.15201	2.6
381.14563	24.6
395.15924	9.9
396.16940	13.4
411.19366	16.3
437.17075	1.7
455.18466	2.4
617.23560	100.0
617.37012	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08841	1.1
59.01372	29.3
71.01370	29.5
72.99274	3.4
73.02924	3.3
73.26158	1.4
75.00855	13.2
83.01342	2.0
85.02943	26.4
87.00836	7.7
89.02431	19.2
94.54111	1.3
95.01347	6.7
99.00847	8.1
101.02448	12.8
109.02919	2.3
113.02431	37.0
117.99624	1.4
119.03457	6.4
119.17841	1.4
121.03026	1.5
131.03474	7.3
133.06573	2.0
139.07622	2.3
139.30716	1.3
173.04465	6.1
175.02422	1.8
178.54852	1.6
193.03543	1.4
205.12306	3.0
217.12306	3.0
217.20068	1.5
226.75768	1.5
261.82397	1.4
330.13470	1.7
441.17566	5.4
617.20776	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	617.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28388	0.6
51.75190	0.7
59.01374	0.7
59.09606	0.6
79.95737	1.3
87.00845	1.1
89.02402	3.2
96.95997	100.0
111.82219	0.8
113.02444	1.0
125.57533	0.7
163.17403	0.6
164.04813	1.0
179.07130	1.3
266.79898	0.6
416.21417	0.7
617.21722	4.1
638.63434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73919	2.0
59.01378	58.5
68.77095	2.5
70.29059	2.3
71.01366	49.3
71.59704	2.3
73.02934	17.9
74.31733	2.4
75.00873	2.7
77.61691	2.3
83.01372	10.4
85.02953	15.8
87.00919	2.7
89.02424	27.2
96.95973	3.8
100.94936	2.3
101.02432	39.9
113.02444	34.3
119.03500	5.8
131.03477	10.5
143.03603	2.9
149.02429	4.2
150.03192	17.4
161.04559	23.3
164.04797	28.4
165.05557	71.2
179.04169	2.4
179.05577	17.2
179.07036	8.9
195.06572	16.9
208.03795	60.5
221.06673	25.8
223.06119	100.0
233.15495	3.7
245.09204	3.0
251.16458	5.8
263.07721	17.5
419.13596	18.7
557.25867	3.0
575.26910	22.5
581.18811	64.1
617.28430	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50520	0.6
55.12685	0.6
56.93552	0.6
59.76191	0.5
61.98828	100.0
96.95991	0.6
101.84403	0.6
129.12904	0.6
255.36148	0.6
255.39056	0.6
315.12073	0.6
372.86151	0.6
378.10352	0.7
382.35077	0.6
388.47485	0.8
630.62335	0.7
635.81781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80035	0.4
61.98826	100.0
64.10345	0.4
64.59338	0.4
68.62901	0.4
70.49217	0.4
70.84871	0.4
71.49429	0.4
77.03147	0.4
87.60551	0.4
90.59724	0.4
107.67556	0.4
181.78473	0.4
337.82779	0.6
345.30731	0.5
363.47601	0.5
391.61697	0.5
431.80548	0.6
476.00983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
74.13284	0.6
83.10286	0.6
92.19989	0.7
100.33643	0.7
107.04993	0.6
107.68991	0.7
115.85888	0.7
122.12123	0.7
135.04492	3.7
136.04889	0.6
143.04701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3556
Annotation	Colossolactone VI
Peak:m/z	Relative Intensity
51.28948	0.9
51.47662	0.9
53.03794	0.9
57.28908	0.9
59.01379	100.0
59.92518	0.9
61.52155	1.0
71.01367	2.2
73.02944	1.3
85.02902	1.5
89.02418	4.3
106.42113	1.2
108.40385	1.0
113.02483	1.2
122.97556	1.0
129.18202	1.3
142.06578	2.0
145.03117	1.1
153.05835	1.9
168.08145	8.7
173.10837	6.2
184.11266	1.4
188.10713	1.3
195.06911	9.1
196.11253	4.1
200.09558	2.2
210.09206	1.9
212.07141	5.4
215.11835	4.7
226.00270	1.2
227.15617	9.3
228.10373	1.5
236.96048	1.1
241.17072	2.0
249.14946	2.7
253.13425	13.4
271.14536	2.3
285.16135	2.1
301.19003	2.2
311.72360	1.2
319.14722	1.1
541.31860	6.5
555.33441	44.0
573.25275	1.1
615.26318	8.3
615.35541	12.8
638.14655	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	616.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34211	1.1
56.38732	1.0
57.57754	1.1
74.99085	100.0
89.02441	4.5
98.55757	1.1
133.02946	1.5
135.04501	26.0
136.99132	92.7
143.60989	1.5
147.49536	1.2
157.55055	1.3
161.02432	78.9
161.04463	2.3
179.03497	49.3
179.05553	6.3
214.66736	1.3
262.15353	1.1
266.34787	1.2
274.03992	2.5
274.09348	6.6
284.34042	1.3
341.08777	84.4
357.12363	1.4
374.00961	1.2
417.48282	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	615.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54708	1.3
55.70874	1.4
57.09882	1.2
59.01086	2.3
59.01381	65.2
59.24278	1.4
61.30790	1.4
70.08337	1.6
71.01370	26.5
73.02940	10.5
73.51141	1.4
75.00845	2.5
83.01378	2.4
85.02947	13.3
87.00819	1.4
89.02435	20.1
95.01383	1.6
97.02944	1.9
101.02419	23.6
105.37363	1.5
105.80070	1.5
113.02428	18.0
116.92844	1.7
119.03484	7.3
131.03493	3.3
145.21156	1.5
152.28450	1.5
161.04549	7.6
179.05554	2.4
221.06644	2.9
227.15620	1.6
231.13754	1.6
232.42014	1.7
249.14987	10.0
253.13457	2.0
263.07684	1.5
273.28250	1.7
286.06131	1.6
347.12012	1.5
411.20306	9.1
555.33362	17.0
571.27710	2.9
573.25629	2.6
615.26611	100.0
615.36493	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	615.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45081	4.3
59.01376	88.8
62.23329	4.6
71.01373	72.0
73.02929	24.6
76.03975	4.5
79.51868	4.9
83.01393	7.0
83.05033	12.5
85.02951	26.6
87.00845	7.7
89.02440	48.3
92.19996	10.0
99.00903	6.9
101.02425	74.7
113.02452	49.4
119.03481	10.8
131.03493	10.1
153.09218	8.0
161.04547	29.1
179.05598	36.0
199.58055	5.0
207.27927	5.5
207.82809	5.2
221.06618	42.2
223.75104	5.4
249.15039	46.9
263.07751	27.2
296.08728	6.3
374.35229	5.5
393.19064	10.6
411.20337	27.6
571.27557	36.1
573.25232	6.4
615.26538	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	615.2453
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
80.09715	7.3
108.35878	7.8
109.61227	7.5
149.02400	35.5
150.03229	83.0
153.05528	9.9
164.04691	11.4
165.05563	100.0
179.07155	9.9
180.04237	13.6
181.08662	14.1
193.01405	10.6
194.05869	40.9
195.06572	58.5
197.20070	8.3
207.06673	50.0
208.03741	15.4
209.08168	46.2
223.06082	14.4
377.01019	8.3
567.22394	65.6
615.24561	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.3
61.98827	25.4
66.42563	5.9
67.79365	5.6
68.99812	8.6
101.02453	76.8
109.02919	6.2
150.03235	11.6
163.04021	7.7
177.05566	60.5
178.02670	25.8
193.05092	57.8
194.05844	12.6
194.60585	6.2
196.07382	11.5
199.98111	6.9
265.70746	6.8
569.12946	8.0
615.24530	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	615.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	6.3
68.46926	2.6
81.43320	2.4
86.96766	2.8
99.21990	2.7
101.02423	17.2
149.02402	10.7
150.03224	72.2
164.04868	4.2
165.05554	100.0
180.04308	5.1
192.04227	3.5
194.05864	6.7
195.06628	40.6
209.08208	15.8
567.21930	6.5
615.25555	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	615.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
59.46148	0.2
78.95894	0.5
79.95718	1.8
82.34355	0.3
96.95995	100.0
101.02439	1.2
113.02425	0.4
123.04494	1.0
127.04213	0.3
165.05560	0.2
195.06625	0.3
201.43079	0.2
211.89592	0.3
220.31572	0.2
221.10291	1.4
222.55074	0.3
255.05128	0.5
263.11349	1.8
269.83212	0.2
281.92667	0.3
345.13281	0.3
353.23550	0.3
496.86667	0.3
617.43011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	68.6
71.01372	4.9
73.02936	2.9
74.28057	0.8
75.04539	0.7
78.95861	0.7
85.02927	3.6
86.16418	0.7
96.95991	100.0
96.96988	3.0
99.00851	0.9
101.02414	11.3
113.02449	5.5
123.04492	0.9
126.88126	0.9
135.04671	0.7
141.74728	0.8
159.02979	3.3
161.04561	7.1
166.40358	0.8
201.25618	0.8
221.10292	26.1
255.04912	0.8
263.11340	20.0
437.62302	1.0
564.53168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42006	0.3
60.33656	0.4
66.64816	0.4
78.95893	4.7
79.95737	2.3
80.88887	0.4
86.52859	0.4
92.20039	0.5
96.95996	100.0
96.96906	10.5
126.07030	0.5
216.81137	0.4
307.80310	0.4
615.12976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41618	0.4
53.17378	0.3
92.90104	0.5
96.26188	0.4
99.92572	3.9
116.92844	100.0
119.31151	0.4
174.29210	0.4
231.49406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63197	0.8
52.13722	0.9
59.01374	16.6
60.00408	0.8
68.46133	0.9
68.71014	0.9
69.90555	0.8
80.06071	0.9
80.40267	1.0
92.19946	1.7
116.11384	1.0
174.99258	14.6
201.02544	4.9
217.00291	100.0
225.52248	1.2
236.87172	1.5
278.44363	0.9
347.16302	1.1
359.01498	9.9
374.99182	14.1
532.98108	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	614.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72100	0.5
52.19947	0.5
57.54443	0.5
61.98827	100.0
67.22705	0.5
96.75195	0.5
110.82626	0.6
119.89439	0.6
121.02934	34.2
128.03508	0.6
129.10330	2.2
155.08229	0.9
157.09824	2.8
245.16583	0.9
257.12949	2.3
270.27011	0.7
274.15454	0.9
301.14249	1.3
322.37845	0.7
401.25403	3.6
412.11963	0.6
429.24963	4.0
523.29260	2.7
551.28619	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	614.3
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92752	0.4
62.03640	0.4
70.51982	0.4
75.26967	0.4
86.81773	0.4
99.92560	3.5
100.93365	0.7
102.69720	0.4
116.92841	100.0
165.11205	0.4
181.92747	0.4
184.84938	0.5
252.94063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47970	1.2
57.74612	1.0
61.98828	100.0
62.95966	1.3
78.06999	1.2
82.16068	1.1
88.31193	1.1
90.38757	1.1
112.74695	1.0
123.04542	1.7
150.03188	4.8
161.02425	2.1
165.05516	1.5
177.05559	10.4
178.02756	2.3
178.05864	2.2
192.18393	1.1
193.05057	6.0
194.05547	1.7
195.06392	1.5
231.86102	1.3
242.49211	1.3
243.80357	1.4
380.59888	1.5
614.22949	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	614.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51772	1.5
61.98832	100.0
77.63008	1.7
84.37741	1.6
92.19353	3.9
104.71105	1.8
136.32872	2.2
141.36560	1.7
175.31277	2.1
180.70467	1.8
317.42999	1.9
335.91449	1.8
420.38519	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	614.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83916	1.3
59.01378	28.3
60.93882	1.6
61.01786	2.1
61.98824	100.0
71.54195	1.4
107.01823	1.5
111.70611	1.8
121.27526	1.8
237.68758	1.6
259.47604	1.6
329.36694	1.6
372.15509	1.9
374.15771	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	613.445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94770	6.2
53.90155	8.0
55.46222	7.1
59.71810	6.9
61.56401	6.5
67.12681	6.8
67.54607	6.5
81.35391	9.6
83.69941	6.5
90.98053	7.6
105.23629	9.2
134.10892	8.1
180.04245	7.4
195.13844	31.9
250.08466	7.5
277.21725	34.9
295.22784	100.0
317.20929	37.9
377.65726	8.0
613.44391	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27813	0.9
71.02490	1.7
72.00906	1.1
74.02459	1.1
84.29154	0.9
87.19302	1.1
93.03444	1.9
95.61437	1.0
111.02032	1.7
119.05006	8.1
131.04938	1.1
134.06114	7.2
146.06129	8.6
147.04506	1.4
152.05904	2.1
157.05386	1.5
158.06078	2.2
162.05516	1.1
163.04021	9.7
173.07146	1.3
179.29373	1.0
180.06653	33.2
186.05611	5.0
189.06755	7.8
191.08278	6.3
192.54308	1.3
194.79117	1.1
200.10802	4.8
211.12502	1.2
218.06958	2.4
223.08781	2.3
225.10263	2.1
226.08708	2.0
238.11041	2.1
243.11383	11.1
261.00714	1.3
261.12448	1.2
266.11884	7.1
327.13434	6.2
329.16516	7.4
334.77826	1.3
373.15640	5.2
554.22986	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	613.3033
Annotation	Wikstroelide H
Peak:m/z	Relative Intensity
71.02500	2.4
72.00887	2.0
79.37750	1.0
86.93537	1.1
89.55799	1.0
92.60843	1.1
93.03436	2.3
119.04986	7.1
133.05336	1.3
134.06104	7.2
136.07622	1.1
146.06087	9.3
147.04491	1.3
152.05858	2.3
157.05258	1.2
162.05576	1.3
163.04015	7.6
180.06657	30.7
182.09792	1.6
186.05623	4.6
189.06650	5.8
191.08266	5.6
200.10779	5.6
218.06923	4.5
221.09312	1.4
223.08688	1.7
225.10297	2.3
238.11127	2.6
243.11270	11.1
261.12759	1.3
266.11823	6.1
299.79050	1.1
300.88434	1.2
306.73669	1.2
309.12582	1.3
327.13422	7.2
329.16577	7.3
373.15570	7.3
410.14639	1.1
421.78735	1.3
503.80096	1.3
554.22937	100.0
629.66815	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	613.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	71.6
62.46752	4.5
71.01374	33.4
73.02942	8.7
85.02943	12.1
89.02436	31.4
101.02431	33.3
104.70768	5.7
113.02413	12.3
119.03451	10.8
153.01888	12.6
168.04251	6.7
179.05563	25.6
181.05064	28.5
196.07414	98.7
211.09665	37.4
243.02272	5.2
553.23096	19.2
562.52472	6.5
569.25916	100.0
591.27063	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36894	0.7
59.01377	100.0
61.79242	0.9
92.19341	1.4
103.13076	0.9
145.50450	1.1
166.06335	36.5
181.08693	84.3
185.05437	1.0
202.05005	1.3
203.05472	1.5
234.12166	1.3
262.07166	2.4
263.07504	1.6
357.72391	1.1
391.17651	88.4
540.38629	1.2
603.12042	1.2
632.27332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65614	1.2
59.01087	2.2
59.01374	45.1
65.94954	1.4
67.61818	1.3
69.08701	1.2
71.01370	21.1
73.02930	9.8
73.47067	1.4
83.01376	3.3
85.02937	7.6
89.02425	24.3
96.95977	3.1
99.00872	1.8
101.02434	25.7
103.52155	1.3
113.02419	14.3
115.53335	1.4
116.92792	1.9
119.03447	6.5
140.43680	1.4
161.04509	5.6
179.05569	16.6
179.07065	2.5
181.05022	15.3
194.05798	1.7
196.07396	38.3
199.15059	1.5
211.09737	22.9
244.40088	1.4
285.18420	3.3
303.19598	3.3
341.12393	3.1
347.18576	1.7
365.19659	1.8
422.64847	1.4
509.23926	3.4
527.25397	9.7
553.22717	13.0
569.26038	100.0
591.26489	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	613.2293
Annotation	C11829
Peak:m/z	Relative Intensity
50.84591	1.3
52.85889	1.4
52.86547	1.4
56.79773	1.5
58.79738	1.5
62.58428	1.6
64.33629	1.8
68.99808	9.2
85.73685	1.6
118.46383	1.6
123.00835	2.2
123.67706	1.8
124.42725	1.7
127.84484	1.7
135.04451	2.4
138.03200	10.4
153.01910	1.9
153.05544	25.3
159.72600	1.8
162.03201	1.7
168.04219	2.3
176.01147	13.1
177.05528	2.3
178.02722	3.6
180.04279	3.4
191.03505	17.9
192.04266	8.2
193.01418	18.6
193.05092	9.5
207.06598	38.1
208.03780	47.7
209.04356	2.6
223.06126	48.7
224.06807	3.2
226.60609	1.7
329.10342	6.5
341.10309	15.9
344.12677	18.2
356.12714	8.7
359.14951	14.1
371.15082	8.1
404.38492	1.8
435.39719	1.7
613.22943	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	613.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69871	1.9
55.01864	3.9
57.85204	1.9
59.01086	3.6
59.01378	100.0
69.03458	2.2
71.01376	84.0
72.99316	1.9
73.02937	34.0
81.03465	2.0
83.01375	10.4
85.02941	32.4
87.00876	14.4
89.02431	87.2
95.01356	2.7
96.96023	2.3
97.02930	10.0
99.00852	11.8
101.02428	99.2
111.00845	9.7
112.01636	2.2
113.02440	54.9
119.03477	27.8
119.86958	2.0
125.02438	26.7
131.03458	15.3
137.02472	2.3
141.01939	2.3
143.03520	19.6
161.04530	35.7
179.05568	15.1
191.88799	2.2
221.06648	22.8
224.75661	1.9
245.06697	2.8
263.07709	3.3
323.09821	13.4
365.10925	2.6
383.11694	2.0
402.29178	2.4
409.16995	3.2
498.14166	2.3
553.21393	90.3
569.21161	4.4
571.22473	86.3
613.23267	32.9
628.44659	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	613.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.0
62.72490	0.7
67.22044	0.7
90.74039	0.8
125.94005	0.8
140.27422	0.8
149.02371	1.6
151.00362	1.7
155.42830	0.8
164.04756	7.5
166.02682	34.9
173.63052	0.9
179.07080	9.4
181.05058	100.0
185.83205	0.8
208.03789	1.6
209.04272	1.0
222.05370	1.2
223.06172	6.1
237.07663	4.4
255.08702	0.9
295.51465	0.9
451.16034	20.0
613.21417	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2294
Annotation	C11829
Peak:m/z	Relative Intensity
54.33421	8.1
55.31807	8.0
58.18818	8.8
69.85873	10.4
87.15177	8.6
89.01340	9.4
123.04496	15.1
129.53603	8.4
150.03192	53.4
161.02341	11.7
162.03169	16.4
163.03984	17.1
165.05537	55.2
177.05544	64.2
178.02672	41.1
179.03604	11.0
180.04245	17.2
193.05026	72.5
194.05826	14.1
195.06578	35.7
221.75188	9.2
225.07654	11.2
275.77859	10.5
390.02969	10.1
532.09650	10.2
613.23114	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	613.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23374	1.9
59.01372	15.3
72.99286	2.5
80.30225	2.0
85.02908	2.7
91.59240	1.8
96.96002	2.4
101.02426	2.8
116.19212	2.2
145.94032	2.2
151.03987	3.1
165.01924	14.4
165.05515	3.1
166.02686	12.6
166.06314	9.3
179.03448	2.4
180.04262	45.8
181.05016	24.7
195.06636	100.0
207.06567	2.4
210.05391	18.7
225.07700	56.9
262.64459	2.1
332.96945	2.3
451.16165	61.3
535.67572	2.6
613.21179	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.8
64.86790	2.2
66.89138	1.9
67.28666	2.1
72.99306	9.4
75.84344	2.0
80.11362	2.4
83.01411	2.3
114.69830	2.7
121.57858	2.8
128.74110	2.5
149.02509	2.4
151.04007	10.0
164.04692	2.5
165.01917	23.1
165.05499	10.8
165.58247	2.4
166.02705	10.1
166.06329	16.4
179.03499	10.5
180.04262	44.5
181.05009	27.1
183.41310	2.3
194.05910	3.4
195.05014	4.1
195.06638	70.3
204.30138	1.9
210.05331	15.1
211.06055	5.1
213.94244	2.8
223.06166	8.8
225.07668	64.6
240.06340	3.7
255.08662	12.0
329.10327	2.9
388.11575	12.2
403.14053	19.8
451.16141	100.0
504.55304	2.4
539.01111	3.0
613.21191	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75533	1.3
58.43165	1.0
59.01370	14.1
61.92663	1.1
71.01370	26.0
73.02925	1.8
79.90623	1.4
83.01379	1.7
85.02927	2.8
87.00893	1.5
88.04034	30.9
89.02430	11.2
95.01381	1.4
96.95983	6.1
97.54269	1.3
101.02424	13.5
113.02403	6.7
115.00372	20.9
118.02837	1.2
119.03453	6.6
124.35632	1.4
130.06570	8.4
132.02110	1.9
132.03024	43.2
156.04524	3.1
161.04520	2.0
173.07182	73.4
245.09157	2.1
266.18057	1.3
292.11905	3.0
335.12610	2.7
407.14575	2.6
452.41666	1.6
498.16592	2.7
613.18799	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	613.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	16.9
59.86321	0.8
64.94441	0.9
68.41402	1.1
70.95184	1.0
71.01356	5.9
73.02914	2.3
73.97154	0.9
79.95139	1.2
87.00848	7.6
89.02412	9.4
96.95991	27.8
101.02425	10.7
113.02428	2.4
117.95454	1.0
119.03461	4.1
123.08118	4.8
125.02393	1.4
127.77532	1.3
141.09204	69.0
143.03539	1.3
155.10678	1.2
157.08670	17.0
161.04564	1.1
167.07117	1.4
179.05534	1.2
182.87300	1.1
185.08177	14.9
200.64140	1.1
203.09248	40.0
205.85350	1.4
227.09189	1.5
239.05687	1.5
245.10373	7.9
259.46097	1.0
287.11145	1.3
305.12521	1.9
347.13538	1.6
509.18658	4.1
527.19904	9.1
569.20880	100.0
613.24951	1.7
615.56219	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	613.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82442	0.6
54.80927	0.5
60.05521	0.5
63.68166	0.5
68.99796	0.6
71.02613	0.5
91.10068	0.6
96.95996	100.0
107.05035	1.2
149.06050	2.6
159.82364	0.7
171.77930	0.6
177.05573	2.6
179.03467	5.7
200.55994	0.6
209.04526	0.7
212.41304	0.6
232.85330	0.6
239.05609	16.2
261.93909	0.6
281.28845	0.6
313.34180	0.6
326.46136	0.6
337.02402	2.4
353.88406	0.6
373.11993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21233	0.9
59.01367	1.1
63.56329	0.8
63.82990	1.0
65.11789	1.0
71.01362	1.4
71.99841	1.1
73.02939	9.5
83.04994	1.4
85.02942	1.4
85.91571	0.9
89.02447	3.8
93.03436	34.6
99.00833	5.5
99.04515	2.1
101.02409	1.7
106.70517	1.1
111.04508	23.0
119.03450	1.5
129.01926	1.9
137.02443	17.0
143.03474	6.3
155.03465	15.3
173.04527	100.0
185.63106	1.0
237.55199	1.0
239.34135	1.3
271.02261	40.0
323.56705	1.1
341.10880	6.9
437.31610	1.1
462.60132	1.2
471.17523	1.1
515.16003	15.1
553.11432	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	612.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.5
78.33043	0.6
82.06597	1.0
92.20040	1.0
93.17690	0.8
123.04479	4.9
127.05125	1.1
128.03439	0.9
130.08714	100.0
139.08694	1.3
143.11882	15.2
145.06166	1.3
146.06087	4.0
171.07716	0.8
187.11176	1.2
214.12354	49.9
248.67847	0.9
257.13037	1.2
258.13635	1.3
302.12805	2.9
328.65036	0.8
358.25116	1.7
402.23947	28.6
515.10211	0.9
526.29181	7.1
568.21344	1.5
568.30267	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	612.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
73.25299	0.9
76.06363	0.9
81.83158	0.8
96.16460	0.8
96.98863	1.0
99.92561	3.8
116.92841	100.0
120.25377	0.9
146.75797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	3.1
89.55080	1.4
96.95987	22.6
96.96911	4.2
99.57294	1.3
99.92599	1.5
106.88778	1.2
116.92838	100.0
138.01454	1.2
160.65735	1.4
165.27066	1.5
476.33276	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	612.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35444	0.1
73.66254	0.2
90.61787	0.2
99.92571	3.4
103.34354	0.2
103.99210	0.2
116.92842	100.0
116.97237	1.1
117.01919	0.4
138.24091	0.2
150.29068	0.2
584.43677	0.2
612.26184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04100	12.0
58.25765	0.8
60.42345	0.9
67.03010	1.9
67.28516	0.8
68.21577	0.8
69.03410	1.0
71.01376	21.3
71.87719	0.8
75.00865	8.6
82.04116	5.1
84.05641	2.3
93.07082	1.7
97.02941	24.7
100.04011	1.3
112.73563	0.9
122.09752	2.1
125.06070	43.4
135.04538	6.7
138.03183	1.6
147.09265	5.2
149.06068	3.8
164.11897	6.3
166.08720	12.2
169.05013	8.1
182.02248	1.7
197.04590	10.4
208.10924	45.2
230.39207	0.9
244.70200	0.9
252.09898	100.0
267.57770	0.9
270.10968	1.3
359.09775	9.9
396.02829	1.0
433.44141	1.1
600.75555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
78.95911	4.8
79.29704	0.5
79.95737	1.2
81.91169	0.5
96.95995	100.0
96.96902	9.8
109.04744	0.5
119.33566	0.6
119.79504	0.5
135.57726	0.7
188.32875	0.6
232.74886	0.6
272.54846	0.6
431.74368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91095	0.4
55.68111	0.4
57.58372	0.4
60.04330	0.4
67.86844	0.4
68.80944	0.5
68.91428	0.5
77.26003	0.5
78.95889	6.5
79.95712	1.0
96.95996	100.0
96.96906	10.6
103.85078	0.5
223.06116	0.5
456.89755	0.5
552.24548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45393	1.0
56.48872	0.9
57.03420	1.1
59.01381	36.8
71.01364	15.9
72.99294	1.2
85.02959	2.0
88.27953	1.0
89.02435	22.9
95.01379	1.4
99.04504	28.3
101.02430	18.1
103.62347	1.1
113.02464	12.2
119.03455	10.5
149.96530	1.0
151.45308	1.1
189.12856	8.7
207.11949	2.0
207.13902	56.0
233.11964	1.4
251.10500	2.1
251.12912	41.6
354.86810	1.6
431.19281	18.1
611.25708	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	611.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02241	1.4
58.45848	1.2
59.01383	11.2
61.43894	1.4
62.11930	1.3
65.47999	1.4
69.27670	1.5
71.01359	3.4
73.02932	2.3
78.98569	2.0
79.95703	2.3
80.96503	48.1
87.00853	3.6
94.52361	1.6
94.98071	12.5
97.02912	2.1
101.02411	2.6
106.98032	2.5
122.97563	2.1
125.02393	6.0
134.97577	2.1
148.99120	8.0
152.98582	9.1
164.98631	19.7
206.99539	2.7
211.13423	2.1
225.00754	38.1
233.11559	2.7
259.19174	1.6
299.04306	6.9
311.22131	2.2
611.27319	100.0
611.41528	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	611.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60187	0.4
53.59364	0.3
63.50085	0.3
78.95898	5.0
79.95733	1.6
96.95995	100.0
96.96899	9.5
110.98675	0.4
129.29576	0.4
135.04544	0.5
193.34416	0.4
196.64861	0.4
241.39868	0.4
552.24213	0.6
611.32666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2141
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
50.59139	3.7
58.79165	4.5
59.01375	10.9
59.94171	4.4
60.38566	3.9
68.99796	7.4
115.63367	4.5
116.92851	5.1
121.71623	5.0
138.03264	17.9
139.04016	5.4
153.05580	22.3
176.01117	6.6
189.86308	4.4
191.03482	21.8
192.04271	9.1
193.01442	20.7
193.04987	8.8
207.06596	29.3
208.03769	50.9
223.06113	53.0
267.72186	4.8
323.09189	5.6
327.08871	10.5
329.14648	4.8
339.08633	17.8
342.11060	17.5
350.35751	4.7
357.13348	7.0
611.21313	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	611.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27208	2.2
59.01375	100.0
67.96696	2.2
81.82564	2.4
82.08356	2.1
95.84992	2.5
144.91530	2.3
201.25169	2.4
202.98557	2.6
329.10101	2.7
341.10339	15.1
344.12674	15.8
356.12891	3.4
359.15033	27.0
371.14816	18.6
384.74359	2.3
389.16251	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	611.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	4.6
59.01379	100.0
62.77537	2.5
64.70528	2.5
75.00895	4.1
81.44906	2.9
89.02441	3.5
96.95988	13.2
97.34220	2.9
101.02430	3.4
101.46990	3.0
116.27016	3.2
123.00865	3.5
138.03241	11.4
149.02422	4.2
150.03217	12.3
153.05550	4.6
165.05556	18.4
166.99791	5.1
169.12280	3.2
182.02188	69.6
195.06615	5.3
197.04558	74.3
329.10458	8.4
341.10220	12.0
344.12585	18.2
356.12671	6.6
359.14914	45.5
371.14899	27.9
389.16019	7.2
401.16156	5.2
567.23724	5.0
611.19849	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	611.2139
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
53.16972	1.4
54.59751	1.4
55.10080	1.5
56.95897	1.3
68.99792	9.8
87.07671	1.6
87.61480	1.6
96.95975	7.3
103.46333	1.9
103.97486	2.0
107.56522	1.8
136.01616	8.6
137.02492	2.1
138.03192	12.2
139.03970	2.4
151.03998	21.9
151.53122	1.9
153.01819	7.1
153.05556	34.3
165.01912	4.0
166.02631	3.8
168.04250	4.3
174.74745	1.9
176.01135	24.8
177.01805	2.3
178.02682	8.0
180.04312	3.6
181.05016	12.5
191.03506	25.8
192.04210	13.5
193.01430	27.4
193.03069	3.1
193.05042	15.3
207.06625	64.6
208.03795	58.2
209.04584	4.1
223.06110	50.1
224.06856	8.1
249.49367	2.0
321.05319	1.8
357.09772	3.3
357.20569	2.0
372.11859	2.4
387.14276	2.3
391.25833	1.9
481.93600	2.2
489.31738	2.7
549.18066	2.1
611.21198	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	611.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00767	1.8
54.90478	1.6
57.02897	1.9
59.01387	8.3
72.73991	1.9
74.34814	1.8
79.91602	1.9
87.00832	2.1
91.81182	2.3
99.00871	3.3
101.02409	2.9
123.04484	5.3
125.02393	3.0
138.03223	14.0
139.00356	26.2
141.24771	2.3
152.01088	2.7
153.05565	19.7
165.05479	9.6
166.02657	9.5
167.03482	25.0
177.05338	2.4
179.03488	10.8
180.34305	2.0
192.80130	2.1
193.05298	2.2
195.69519	2.7
197.04517	2.6
205.04996	12.4
209.04518	21.6
214.78818	2.4
221.04546	3.0
232.03763	3.9
233.04599	3.2
239.05614	23.3
243.89027	2.2
247.06052	10.7
269.06708	8.8
342.75543	3.0
355.08661	2.6
371.07617	13.3
374.10028	3.3
385.09363	3.0
386.10117	26.0
389.12344	20.3
401.12457	44.4
413.12210	5.2
419.13321	2.7
449.14523	100.0
491.12027	3.3
544.47235	2.4
611.19501	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	611.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14952	0.4
54.58756	0.4
55.88502	0.4
59.01379	1.0
61.62827	0.4
78.26354	0.4
87.66750	0.4
95.01343	0.7
101.02411	0.6
114.31951	0.4
115.19605	0.4
120.26776	0.5
123.00864	5.5
136.81200	0.5
138.03221	11.1
150.03322	0.6
153.05562	8.4
165.05490	0.8
166.99852	13.9
181.01411	0.6
182.02205	96.5
196.03726	2.2
197.04553	100.0
211.06165	2.4
227.18571	0.5
285.76770	0.5
319.36896	0.5
389.15912	0.5
577.89099	0.5
611.19873	18.9
611.29108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1982
Annotation	Durantoside III
Peak:m/z	Relative Intensity
52.74219	1.2
52.76820	1.1
53.32235	1.0
55.56454	1.2
59.01387	11.5
65.64259	1.3
68.99814	2.1
130.37776	1.6
138.03204	8.5
139.04018	5.8
153.01857	1.9
153.05573	18.0
166.82706	1.2
168.04236	1.6
176.01187	2.4
177.01895	1.6
178.02812	1.6
179.03491	1.6
179.07129	6.2
179.87346	1.3
180.04227	2.2
180.07982	2.8
182.02164	14.2
191.03485	20.5
192.04253	4.9
193.01424	7.8
193.05072	19.6
194.05859	2.7
195.06625	2.0
196.03842	1.6
197.04573	26.9
207.06641	27.3
208.03802	26.8
209.04572	12.9
210.05232	1.9
211.06215	2.3
223.06110	33.1
224.06828	2.8
225.07669	13.2
407.13159	3.0
449.14569	100.0
491.15466	5.6
611.19763	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	611.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72826	2.0
57.49617	1.7
59.01373	3.3
63.71297	1.7
81.19043	2.0
87.00848	19.1
96.34899	2.0
96.95980	3.2
113.02442	3.6
116.78947	1.9
134.06044	2.2
149.02415	9.2
152.01250	2.4
162.76990	2.1
164.04773	31.3
165.01944	14.7
179.03441	2.0
179.07101	13.0
180.04253	31.2
195.06621	61.5
203.08247	2.7
208.03755	60.5
210.05310	4.4
223.06117	100.0
225.07721	30.2
234.42433	2.2
245.09380	2.6
367.08276	2.4
423.16959	2.1
449.14496	35.0
528.84332	2.1
611.19873	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	611.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59156	1.3
59.01371	3.5
71.01377	2.6
71.82798	1.4
75.91779	1.4
78.08494	1.4
86.57345	1.7
113.02426	2.0
128.57849	1.5
149.02438	14.7
152.01164	3.8
163.03993	2.9
164.04785	41.4
165.01872	21.6
179.03499	3.8
179.07080	12.8
180.04283	51.7
193.01399	3.4
194.05847	2.4
195.04837	2.2
195.06624	82.9
208.03775	73.5
210.05298	18.7
223.06125	100.0
225.07692	31.8
249.31895	1.7
315.86588	1.6
401.12634	4.6
449.14587	74.9
449.20700	3.5
611.28796	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	611.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	16.6
59.52481	3.0
65.40435	3.1
66.98839	2.6
73.02926	3.0
87.00872	3.7
88.98814	5.9
89.02433	52.9
97.56201	3.0
101.02415	6.3
105.87391	3.2
121.02972	3.7
137.02415	13.4
149.02383	21.9
154.99854	18.4
156.54057	3.3
164.04765	63.1
165.01881	7.6
166.02676	24.5
179.03513	4.4
179.07127	7.9
180.04239	54.1
181.05072	38.8
193.01399	4.2
195.06615	100.0
208.03775	78.7
210.05290	20.8
211.06087	4.2
214.55878	3.8
223.06079	61.7
224.98125	3.2
225.07651	17.2
265.07062	7.2
310.55630	3.1
317.99423	3.6
389.15948	5.1
449.14587	68.6
611.19720	70.9
611.28369	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	611.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.4
69.62057	1.3
71.01377	6.7
73.02935	11.1
77.24263	1.3
83.01415	1.4
85.02946	1.3
89.02413	1.5
100.62130	1.2
101.02440	8.0
108.02175	16.3
113.02408	2.2
116.20976	1.2
117.12804	1.3
123.04514	21.7
152.01141	55.2
160.05289	2.4
162.03210	16.1
167.03482	100.0
173.20389	1.4
177.05547	12.2
190.06712	1.4
222.10078	1.2
253.19145	2.9
295.21359	2.6
327.08582	5.8
551.59473	1.5
567.16998	8.7
567.24377	2.2
611.40143	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	610.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35842	0.4
55.24088	0.4
59.01385	1.9
61.98830	100.0
92.20028	0.5
110.80784	0.5
324.74823	0.6
514.11084	0.5
536.31219	2.1
639.29498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99612	14.1
56.02209	15.8
56.53910	13.5
58.39064	13.3
59.01371	22.6
75.48299	14.9
79.00446	15.6
80.89355	15.5
211.13489	24.7
224.06802	18.5
293.21039	28.2
296.61945	19.4
311.22110	73.1
422.63965	19.3
536.29858	100.0
614.04462	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	611.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58658	1.5
70.64679	1.5
73.26877	1.7
81.03449	2.2
83.01377	2.4
91.51183	1.5
94.72591	1.6
95.84719	1.8
107.82002	1.9
109.85627	1.7
113.02393	2.2
115.07991	1.8
123.04508	8.6
125.02450	13.1
128.59505	1.7
134.67342	1.8
135.04497	1.9
137.02402	2.3
150.05347	1.7
155.03610	1.7
165.05534	3.3
167.03491	47.5
179.03481	7.4
197.04549	21.2
209.02637	3.7
209.04555	100.0
221.04512	3.0
239.05600	67.2
251.05653	2.4
259.89398	1.7
269.06638	20.5
311.07718	2.4
316.84625	1.9
326.02609	1.8
329.08795	2.6
371.07693	23.6
383.08316	1.8
401.08667	13.4
431.10132	3.8
473.11151	2.3
491.11993	24.3
506.36102	1.7
521.13171	2.2
611.16101	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	609.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95934	3.2
87.71300	3.8
90.92548	4.1
96.75667	4.4
99.08139	54.3
124.36966	4.5
135.34889	4.6
186.64673	4.3
188.87990	5.7
193.12369	24.0
293.21201	39.0
327.98886	4.0
362.97363	4.6
392.88516	5.2
609.41333	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	610.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.82501	0.5
74.97058	0.6
84.92612	0.5
85.06660	0.5
91.53091	0.5
109.64605	0.5
212.49069	0.6
215.72769	0.6
236.89313	0.5
239.56775	0.5
286.67334	0.6
456.86731	0.7
550.24469	0.7
566.21405	0.7
610.23053	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	609.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01374	100.0
69.03455	1.5
71.01357	19.5
73.02930	8.2
75.00844	1.9
82.79336	1.3
83.01379	5.4
85.02922	14.1
87.00832	1.6
89.02412	5.3
92.19305	1.4
94.29652	1.1
96.95938	1.5
97.20634	1.3
99.00851	3.2
101.02425	21.5
105.47985	1.5
107.12518	1.4
111.00942	1.8
113.02455	11.9
117.97990	1.5
118.87074	1.5
125.02407	1.4
141.45335	1.4
143.10735	5.6
166.06329	1.9
187.09772	1.3
215.08278	2.0
222.66911	1.4
223.03769	1.8
225.01961	1.5
225.07579	2.8
229.18118	2.6
233.09108	1.7
239.09370	1.9
241.09805	1.7
243.02997	4.8
250.69336	1.3
315.25458	5.3
336.21216	1.8
343.06253	9.8
350.30872	1.3
361.29532	14.7
387.05197	15.7
405.06000	1.9
411.27380	1.6
505.33856	70.1
523.34845	24.1
565.27185	3.9
565.35925	56.1
609.20947	5.0
609.29913	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	609.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.2
59.01376	100.0
61.17398	2.3
67.38692	2.2
69.55331	2.2
71.01384	25.4
73.02935	11.2
83.01364	4.2
85.02937	13.3
89.02397	5.7
95.01328	2.9
101.02423	23.5
111.00877	2.7
113.02402	17.7
116.92823	5.1
127.39780	2.8
167.44865	2.6
171.13850	2.7
179.46480	2.8
185.15552	3.8
215.08347	3.0
361.29547	17.3
364.80905	2.8
492.51746	3.3
505.33871	88.4
523.34833	20.7
565.36115	60.2
609.22717	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	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59655	4.6
51.20369	5.1
55.38899	5.6
57.03424	8.1
59.01382	86.9
67.30828	5.2
71.01361	23.4
77.48399	5.5
85.02927	11.0
94.86524	5.3
101.02401	14.6
113.02416	13.0
117.06867	5.7
131.70393	6.8
147.13446	6.6
171.13834	14.5
173.11745	7.8
217.73099	7.2
361.29575	27.8
505.33905	84.2
523.34882	13.2
565.35773	100.0
609.27441	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	609.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70528	0.7
56.12134	0.8
59.01376	100.0
64.32524	0.9
71.01360	8.0
73.02929	1.9
83.01374	3.4
85.02929	6.6
101.02426	11.3
112.28092	0.9
113.02428	3.9
125.02374	1.6
227.20053	1.1
241.95137	0.9
339.72223	0.9
371.24307	1.9
389.25568	1.2
403.18613	0.9
413.25467	14.5
431.26492	13.0
455.26584	14.0
473.27594	21.1
474.44070	1.0
491.28598	2.2
505.39218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78514	4.8
59.01376	100.0
71.01366	11.0
75.98585	4.5
76.94629	4.5
86.60553	4.8
89.02445	6.0
101.02422	8.7
113.02407	6.5
125.40411	5.6
246.40631	6.3
309.83932	5.6
416.35205	5.3
455.26663	9.6
460.50333	6.0
473.27573	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	609.303
Annotation	BQ 123
Peak:m/z	Relative Intensity
59.01381	28.2
66.67901	2.0
71.01366	18.1
73.02942	4.9
85.02918	4.6
89.02426	15.1
101.02416	16.2
112.31813	2.0
113.02425	4.8
121.44583	1.9
185.12823	2.2
189.12851	63.8
191.14349	3.7
213.12259	2.5
225.07762	4.1
243.19208	2.3
321.28287	3.0
411.03876	2.7
609.30225	100.0
633.11835	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	609.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72838	1.0
54.22387	1.1
59.01373	18.6
61.98773	1.2
68.48643	1.2
68.81049	1.3
70.74370	1.2
71.01378	2.2
73.02928	6.7
75.28744	1.2
88.34338	1.2
89.02419	1.9
89.90118	1.2
101.02472	2.6
113.02447	2.0
136.07664	1.7
138.08223	2.7
138.09239	60.8
149.06038	2.6
151.04019	1.4
154.08719	15.6
161.07217	12.5
164.04794	1.7
165.05547	10.3
166.06331	16.4
166.21220	1.5
168.10245	2.2
173.07182	2.2
180.06618	2.9
181.08675	2.2
189.10303	7.5
213.06691	6.3
215.08260	92.8
215.11766	5.6
224.06856	5.6
225.07697	44.6
233.09308	22.7
239.09222	5.0
239.11855	12.8
241.09840	81.0
259.10843	14.7
308.72986	1.4
312.62592	1.4
380.19867	22.7
398.20868	15.2
410.20737	8.3
567.20129	2.2
579.28320	20.1
609.21472	33.6
609.29401	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	609.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.5
65.58443	0.8
71.01354	3.8
73.02928	0.9
79.95727	1.2
84.96506	0.8
85.02905	1.5
87.00879	0.9
89.03966	0.8
101.02461	1.9
106.11902	1.0
113.02438	1.8
134.21686	0.8
136.07677	3.6
138.09190	2.0
140.07153	3.4
154.08691	10.0
170.08220	0.9
180.06689	3.1
185.10867	4.2
196.58298	0.9
213.06868	1.2
213.13953	13.8
215.08244	6.4
239.11894	100.0
241.09795	5.2
242.74840	1.0
257.12939	8.1
336.20676	1.1
362.18704	5.2
380.19775	1.6
392.19330	0.9
410.20877	17.8
416.63416	0.9
428.21793	6.5
505.33688	10.0
523.34229	1.2
565.36072	6.3
609.29303	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31531	1.3
55.50678	1.4
59.01375	11.6
71.01348	3.5
73.02915	2.2
75.54291	1.3
78.79477	1.3
85.02951	2.2
92.19894	1.9
101.02435	3.2
116.92842	16.0
124.20611	1.7
136.07654	6.3
136.76541	1.4
138.09247	21.0
161.07199	30.6
173.07210	10.3
189.10350	2.8
205.10034	1.7
213.06732	1.8
215.08260	100.0
231.07565	2.2
233.09305	40.2
241.09869	27.8
259.10880	12.2
306.71033	1.7
380.19781	3.1
446.22977	2.3
447.12088	1.4
505.34094	2.3
565.35815	3.0
609.14545	5.1
609.29248	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2765
Annotation	Atractyloside A 14-O-beta-D-fructofuranoside
Peak:m/z	Relative Intensity
57.03440	2.5
59.01374	64.6
59.30498	1.7
67.25076	1.7
71.01373	43.4
73.02952	25.0
74.41074	2.3
75.00848	3.2
76.64635	2.0
83.01385	9.6
85.02928	19.9
86.55154	2.2
87.00842	4.4
89.02433	34.0
92.05562	2.7
92.19321	2.7
93.26269	2.1
93.54164	2.1
95.01368	3.0
95.15069	2.0
96.95952	2.6
99.00861	4.1
101.02423	54.7
113.02438	31.8
119.03448	14.3
129.09140	2.0
131.03477	8.9
161.04501	14.1
176.46574	1.9
179.05600	3.3
181.15984	2.8
221.06610	11.4
243.15968	2.6
405.21082	3.3
419.13007	2.2
447.22366	27.3
453.77414	2.5
466.72681	2.4
523.28064	3.1
543.33862	2.6
565.20410	11.7
565.28735	21.7
567.26331	18.7
609.27649	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	609.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98664	3.6
68.39183	3.8
78.95898	35.9
85.04295	4.0
96.96932	5.4
99.08119	26.6
152.99586	70.9
193.12343	18.2
240.97261	4.2
241.01147	26.6
242.49881	4.2
275.52335	3.9
293.21295	32.6
316.08713	4.8
401.94617	4.4
609.17084	6.5
609.26758	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	609.2764
Annotation	Atractyloside A 14-O-beta-D-fructofuranoside
Peak:m/z	Relative Intensity
51.44499	1.6
55.01876	1.9
59.01376	65.3
71.01374	64.6
71.63905	1.9
73.02946	18.1
83.01361	7.7
85.02940	26.8
89.02430	38.3
95.01380	2.8
99.00865	3.7
101.02430	52.1
113.02425	34.6
119.03461	10.4
132.84180	2.2
143.03453	2.0
159.02975	3.4
161.04546	18.2
179.05592	7.4
315.18149	8.3
341.92627	1.9
447.22513	20.0
455.36356	2.6
602.67639	1.9
609.27722	100.0
619.14679	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	609.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12550	0.5
51.25299	0.4
54.87591	0.5
59.17127	0.5
60.60305	0.4
73.56060	0.5
96.95992	4.1
121.03068	0.6
134.04710	1.2
135.04504	16.0
135.36513	0.5
187.88156	0.6
197.04584	1.2
207.11377	0.9
249.12433	100.0
359.10043	0.9
414.26395	0.5
447.32657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.246
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59827	0.9
71.65307	0.8
84.04516	1.6
92.20013	1.5
108.02161	13.3
109.02948	1.4
123.00954	1.5
123.04512	32.3
127.05108	14.4
128.03487	4.3
136.01639	1.0
152.97493	0.9
158.77284	1.0
164.03517	37.5
177.04312	2.2
178.05089	32.7
192.06662	12.8
231.11349	5.7
236.08002	3.9
249.12437	10.9
251.10373	6.3
339.13422	6.2
340.14291	40.1
355.16653	18.1
366.12280	2.2
378.62802	1.0
381.14465	10.8
399.16064	1.6
591.23706	1.5
609.24542	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	609.2681
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
50.81413	1.9
56.20167	1.6
70.84748	1.9
71.31133	1.9
72.71764	1.9
78.95895	28.5
96.96925	8.0
99.08141	28.5
107.30020	1.9
136.69595	2.1
152.98352	2.9
152.99571	74.4
171.00702	2.3
193.12325	16.8
223.00113	11.5
228.31010	1.9
241.01198	26.9
293.21210	21.3
302.73447	2.5
315.04877	3.6
417.46762	2.3
609.26825	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	609.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25396	1.1
54.25686	1.0
59.01085	1.5
59.01377	34.2
62.63833	0.9
65.77618	1.1
68.28065	0.9
71.01386	1.6
71.48186	1.0
73.02956	8.5
73.78434	1.0
97.85075	1.0
101.02411	5.2
130.97266	1.0
133.93228	1.3
138.03152	1.1
149.06047	2.4
151.03981	5.2
153.05620	3.7
155.57776	1.1
164.04814	1.8
165.01891	2.3
165.05576	21.1
166.06329	32.0
179.07095	2.0
181.05035	5.4
181.08708	5.6
209.04494	2.2
224.06827	7.7
225.07686	76.7
225.09923	2.6
232.93495	1.3
239.09157	6.8
362.65424	1.2
451.65625	1.1
480.43903	1.2
486.04041	1.2
549.19531	1.3
567.20728	5.4
609.21924	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	609.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58485	1.0
53.04727	1.1
53.82588	1.1
59.01376	100.0
62.28596	1.2
62.57667	1.2
70.88612	1.1
71.01377	1.2
78.32021	1.1
99.36703	1.4
107.00180	1.4
113.02484	2.0
144.74249	1.2
148.53006	1.2
165.05493	2.2
177.20122	1.3
201.33908	1.6
323.09198	2.1
324.09967	2.8
327.08682	6.5
339.08795	14.7
342.11087	9.1
354.10983	5.0
357.13419	18.8
369.13406	17.8
387.14505	1.6
545.84198	1.5
565.21448	1.6
609.22620	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	609.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	27.3
71.01376	27.9
71.01761	2.4
73.02927	12.9
81.07085	2.3
83.05017	2.8
85.02931	9.7
87.00871	7.2
89.02435	18.3
94.31127	1.5
95.01365	2.2
97.06544	2.4
101.02431	34.4
107.05035	1.9
113.02412	21.3
119.03463	6.8
125.02390	2.7
125.06065	35.3
131.03474	10.2
135.85356	1.5
137.09727	2.8
151.01929	1.7
159.02972	2.6
161.04562	15.5
179.05580	2.8
221.06631	9.0
245.64099	1.5
391.83841	1.8
491.17719	11.8
527.35846	1.8
565.21350	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	609.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24929	2.9
55.23072	2.8
59.01381	100.0
71.01368	3.1
71.51215	2.7
73.02946	4.2
75.00838	3.2
92.07713	2.6
93.32059	2.9
96.96022	2.9
99.00832	2.8
101.02454	4.8
161.04546	3.4
162.03197	2.9
194.05815	3.5
195.06630	11.5
208.03625	3.4
209.08211	3.4
215.08185	3.5
223.06075	3.6
323.09238	3.9
327.08716	13.2
339.08670	13.8
342.11084	16.2
354.11151	5.1
357.13394	37.9
369.13452	35.5
405.15448	3.7
477.71817	3.0
609.21875	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	609.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04156	1.7
59.01382	19.2
66.72571	1.8
66.78052	2.3
70.93332	1.8
71.01370	20.1
73.02919	3.6
85.02949	9.5
89.02447	10.0
91.77262	2.2
93.03432	20.0
99.00849	2.9
101.02431	20.1
113.02418	9.6
119.03470	2.7
128.03494	7.6
137.02423	8.7
161.04530	4.7
186.08943	3.0
211.07619	30.6
223.07652	25.3
255.06624	100.0
267.03928	3.6
267.06653	80.7
271.97562	2.0
285.16086	4.4
323.09814	8.2
374.05313	2.1
521.22101	8.1
565.21259	14.4
609.18420	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
68.99792	3.5
69.72182	0.6
71.01360	1.0
73.02938	0.8
75.38679	0.7
82.13524	0.7
82.70779	0.6
87.00111	0.7
96.96007	1.0
101.02478	0.9
104.06263	0.7
111.88042	0.7
113.49216	0.9
138.03165	5.2
149.02394	3.6
153.05531	14.1
163.03934	0.7
164.04781	13.3
177.05576	1.0
178.06429	1.2
179.07153	9.1
180.04221	1.3
190.02711	3.5
191.03514	4.9
192.04279	1.1
193.01363	5.2
193.05098	2.8
204.04112	0.8
205.04971	6.4
206.05872	1.3
207.06636	8.4
208.03766	63.9
218.05914	1.0
221.08200	1.1
223.06126	100.0
235.08900	0.7
247.05835	0.9
358.10532	1.5
373.13049	2.8
403.13947	3.5
435.77408	0.9
447.12997	67.6
565.21222	1.0
609.26801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1985
Annotation	chlorophyll c1
Peak:m/z	Relative Intensity
57.69890	8.9
63.58836	8.3
68.99784	9.0
82.03182	10.3
126.79559	8.8
153.05576	20.6
194.70329	10.6
207.06647	14.9
208.03740	47.9
223.06148	36.7
252.10710	8.8
321.07590	37.8
336.10013	11.0
340.09329	13.8
355.12399	16.6
381.76923	9.3
442.69156	12.4
536.42535	10.8
609.19067	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	609.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.8
71.01364	5.8
80.31876	0.8
85.02927	1.5
89.02442	6.9
93.03443	25.0
93.04029	1.0
101.02425	2.0
113.02422	4.3
115.00367	1.6
115.50516	0.8
119.03448	1.7
133.01445	7.9
137.02428	8.7
179.05542	6.3
185.69319	0.8
211.07625	15.1
222.11359	0.9
223.07649	37.5
249.33946	0.9
255.06638	45.9
267.06631	100.0
447.13101	10.3
565.20593	2.9
609.18115	26.3
609.26691	1.7
619.36780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42573	1.0
54.89913	1.2
58.68837	1.1
65.71882	1.4
77.52361	1.3
78.30889	1.2
78.95893	5.7
89.02430	1.6
96.95992	100.0
96.96906	12.2
120.99648	6.4
149.26886	1.4
163.03926	1.9
163.30774	1.7
169.53609	1.4
200.66972	1.5
210.05362	1.7
223.04524	1.6
225.07686	2.5
308.91248	1.4
364.10568	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26903	2.6
57.03437	10.1
59.10462	2.2
59.41119	2.1
61.31761	2.5
66.79323	2.6
69.85215	2.5
72.45284	2.7
82.21534	2.5
85.02935	65.4
85.90001	2.2
89.26959	2.5
100.27464	2.3
101.02386	3.5
107.05010	13.7
111.00868	22.3
119.04991	3.8
121.02905	2.7
126.90824	2.4
129.01933	18.9
149.06062	24.3
163.03987	3.6
177.05580	29.4
179.03473	61.8
185.09445	2.6
185.54883	2.9
195.06570	4.1
205.03502	22.8
223.04619	23.7
239.05606	100.0
257.88690	2.9
369.08234	49.2
453.56393	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	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37689	4.1
56.12727	3.9
57.03432	9.0
61.40259	4.1
64.05183	4.0
73.74038	3.8
85.02934	70.0
85.49057	5.2
101.02404	4.7
107.05028	6.8
111.00871	43.0
129.01961	29.9
133.06653	5.1
149.06076	16.2
163.03944	7.2
165.76230	4.0
177.05544	21.0
179.03497	41.5
205.03511	52.2
223.04602	100.0
239.05630	85.8
241.50278	4.6
243.24901	4.5
290.57327	4.7
369.08246	75.5
389.39340	4.4
441.66528	4.7
534.71436	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	609.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
71.01373	1.1
75.00874	0.9
75.69194	0.5
85.02937	1.0
88.52271	0.7
96.95974	5.4
113.02430	0.5
126.28177	0.7
133.02913	0.8
140.43022	0.5
141.57329	0.6
180.73607	0.6
190.80083	0.5
233.04474	0.6
239.05751	1.0
247.45882	0.6
297.03949	0.7
298.04764	4.6
311.05664	2.3
312.06491	4.3
313.07111	4.4
323.05701	1.1
327.05136	7.1
339.05096	16.6
341.06647	8.4
353.06787	3.2
357.06183	2.1
367.04236	0.8
369.06134	66.6
371.07663	2.2
378.81659	0.6
381.06201	8.8
391.71518	0.6
399.07196	40.1
411.07272	7.3
423.06876	1.0
429.08203	7.4
435.07303	0.8
441.08539	2.0
459.08801	0.7
471.09552	1.0
489.10428	7.8
519.11469	1.1
565.21619	0.8
609.14642	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	608.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85274	0.6
53.08085	0.6
57.14329	0.7
58.04101	5.9
59.01374	0.7
68.19473	0.8
71.61492	0.8
82.06623	4.2
86.98300	0.7
96.96008	0.9
110.07220	3.7
124.08778	10.2
126.97296	0.9
136.11305	4.9
139.07628	4.7
147.60394	0.7
149.02438	1.6
158.92564	0.8
164.04770	16.4
175.84740	0.8
178.13464	3.2
179.07135	10.4
198.73625	0.8
208.03741	10.1
222.12474	100.0
223.06134	24.7
351.55396	0.9
354.51035	0.9
385.11407	6.7
611.59698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.70696	1.3
74.98511	1.6
77.59995	1.4
104.53332	1.5
133.05302	9.3
134.06117	22.6
139.08795	2.0
146.06102	2.9
150.93820	2.0
153.06644	2.1
160.03999	5.0
166.44128	1.6
169.05423	1.4
174.81009	1.7
212.72569	1.5
214.12495	2.0
223.14516	3.5
245.12950	2.6
247.14534	50.5
264.10245	2.0
273.12430	5.5
342.14645	27.9
358.21432	3.4
385.20117	9.3
426.84048	1.8
488.25687	31.3
522.22070	1.6
533.23438	3.0
533.31372	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05677	5.3
63.75299	5.4
67.69219	5.6
68.60977	5.2
85.06595	37.2
91.77070	6.9
100.23116	6.0
114.60440	6.3
131.07120	100.0
135.32787	5.5
155.14442	12.3
236.70024	5.8
252.66150	7.5
253.97469	7.3
431.31439	64.1
607.38586	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98826	100.0
62.45854	1.6
67.26019	1.6
79.57104	1.9
80.53450	1.9
150.27412	2.1
168.16547	1.9
229.64101	2.0
289.97421	2.1
305.24850	4.4
306.25189	8.7
307.25287	4.4
308.25699	3.9
410.57242	2.0
530.32172	2.3
533.33466	7.1
607.33905	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	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34951	1.8
51.68642	1.8
57.03460	2.1
59.01085	3.3
59.01376	92.8
69.68923	2.1
71.01371	20.7
73.02935	3.6
83.01364	12.1
84.16293	2.2
85.02923	17.5
85.06575	2.0
87.00926	2.5
89.02443	5.3
94.35923	2.3
99.00832	3.6
101.02431	26.3
105.74267	2.3
109.71078	2.3
113.02396	17.1
114.98058	2.1
141.09178	4.8
159.02985	3.1
159.10208	3.5
205.09763	5.3
213.06657	3.0
231.07751	25.3
235.23697	2.9
307.24133	2.2
307.47116	2.4
315.25397	2.6
359.28015	13.8
426.20630	3.0
503.32278	100.0
518.63690	2.4
521.33258	26.9
563.34552	69.4
607.27533	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	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79387	1.5
57.03422	2.1
59.01083	3.8
59.01376	91.9
65.81776	1.8
67.67658	2.0
71.01373	25.3
73.02944	4.5
75.00842	2.2
80.88768	2.0
83.01366	2.9
85.02935	15.5
89.02439	9.4
95.01366	4.1
99.00832	2.2
101.02427	17.5
113.02432	21.6
119.03485	3.7
134.54810	1.9
139.11209	2.0
141.91623	1.9
171.13850	2.3
187.13330	3.7
228.15312	2.0
347.21149	2.2
359.28052	15.7
378.17993	2.0
383.18671	3.0
389.21979	3.8
503.32336	100.0
521.33411	22.1
563.34442	36.6
607.27423	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	607.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10253	1.5
58.25839	1.4
59.01376	100.0
71.01373	3.5
73.02937	2.3
81.65390	1.6
83.01350	2.1
85.02948	2.0
101.02416	3.5
113.02451	3.0
135.67549	2.3
159.10229	7.5
252.59935	2.0
347.20633	2.9
389.21848	37.4
426.05563	1.8
435.21530	1.8
437.08023	1.9
457.10944	1.8
503.32382	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	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	3.7
59.01377	90.1
59.99878	1.8
62.39143	1.5
62.75511	1.4
65.18244	1.8
71.01369	8.3
73.02938	3.2
79.41883	2.0
85.02944	4.3
87.21406	1.7
101.02428	9.5
113.02399	3.3
113.52962	1.6
166.65820	1.8
193.08536	2.3
213.93237	2.0
299.25870	2.6
306.07574	3.1
419.47906	1.7
428.05557	1.7
563.26587	5.3
563.34314	100.0
605.23163	1.9
607.27649	2.0
613.52332	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	607.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	64.8
63.59499	2.6
71.01369	50.6
73.02954	5.7
85.02913	7.2
87.00831	11.9
89.02434	100.0
89.17487	3.5
91.81547	3.3
95.01369	3.6
96.96015	4.2
99.00880	3.5
101.02422	49.3
102.92964	3.3
110.75639	3.0
110.83147	3.6
113.02431	32.2
119.03471	30.4
119.07848	2.9
123.08138	3.4
131.03499	17.6
143.03508	5.7
161.04477	24.6
174.35042	4.2
179.05612	54.6
221.06664	29.5
263.07727	61.2
291.26468	3.2
323.09781	19.0
341.10767	4.5
343.43005	3.4
362.16516	3.5
463.63712	3.8
607.25055	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	607.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24035	3.8
50.32286	4.2
59.01378	30.1
67.82503	3.9
69.66389	5.5
69.71913	3.7
74.96473	4.3
76.25066	4.9
89.14484	4.8
92.19972	5.9
101.02445	6.4
113.10067	4.5
113.96832	4.7
124.43915	4.7
188.07147	20.0
189.06651	8.2
204.08977	6.0
205.09814	24.8
213.06790	9.6
220.00287	5.2
230.07025	9.0
231.07735	100.0
248.08089	5.8
249.08746	27.9
260.13675	4.4
353.00336	4.5
359.28125	25.3
404.73502	4.7
426.20303	25.4
444.21289	27.9
563.34515	7.6
607.28003	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2532
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
56.90090	3.4
60.67743	3.7
62.19501	3.9
64.56379	4.0
68.77042	4.1
71.15337	4.1
78.95887	29.2
88.14506	4.0
97.06552	20.9
152.99562	87.7
175.67447	4.2
193.12340	5.1
202.51041	4.5
211.13376	21.3
223.00095	5.6
226.51251	4.8
241.01260	20.5
243.18529	4.5
250.97649	3.9
419.31470	4.6
474.72141	4.8
607.25305	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	607.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
59.01376	100.0
63.95668	1.0
69.29648	0.9
71.01373	3.7
72.99299	0.9
73.02925	4.5
82.37950	1.0
85.02931	5.1
87.00869	1.2
89.02433	3.4
92.19421	1.2
101.02426	5.1
108.86950	1.0
113.02435	3.4
116.92874	1.1
136.07678	2.3
150.05511	1.3
160.04048	1.4
161.73691	0.9
233.09264	1.0
355.08191	7.1
370.10529	8.4
385.12946	11.5
390.50406	1.0
399.23743	2.3
417.24872	3.8
440.14319	1.4
459.26193	12.3
503.32190	4.9
519.28253	7.0
577.42981	1.0
607.26587	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	607.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	40.0
59.01379	59.3
70.51084	1.6
70.57812	1.7
71.01376	3.7
73.02938	2.4
77.64708	1.7
85.02934	2.0
89.02429	6.7
94.55067	1.6
99.04504	85.2
101.02432	19.8
103.03989	3.2
106.27032	1.6
113.02439	6.1
119.03453	3.4
121.05031	4.2
125.02428	13.8
143.03418	2.1
161.04605	2.4
162.25076	1.6
163.06064	3.4
182.21024	1.6
211.05579	1.7
265.03421	2.9
265.06418	3.6
265.09296	100.0
325.04364	2.8
363.83112	1.6
420.83344	1.6
468.91165	1.8
596.05243	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	607.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65716	2.8
55.17044	2.6
57.03447	47.9
59.01370	43.4
78.84704	3.9
78.95912	5.1
89.02407	3.2
96.26525	3.7
99.04511	82.4
101.02435	16.3
108.27536	2.7
114.23420	3.0
121.05034	6.2
125.02422	14.9
135.04492	4.5
147.77745	3.1
161.02455	22.8
179.03506	14.5
196.01732	2.8
208.67644	3.0
229.83311	3.0
265.06497	3.8
265.09280	100.0
323.02057	4.1
341.08722	27.1
363.30530	2.9
607.08167	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	607.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50378	5.6
58.29602	5.6
59.01381	65.9
61.99747	5.4
71.01376	28.1
71.13146	5.1
73.02915	11.0
75.00851	5.1
83.01373	8.6
85.02938	5.1
89.02439	6.5
96.96011	9.5
98.11393	5.5
101.02402	13.5
113.02422	11.6
134.03716	50.2
145.33473	5.6
149.06036	22.6
156.06982	5.3
161.02388	7.3
173.32585	6.1
176.04845	20.4
178.02641	47.0
193.05038	100.0
194.05803	57.4
199.32492	5.9
209.08186	51.9
321.07635	6.2
367.11536	6.3
385.13058	11.7
563.21472	9.2
607.26624	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67131	3.6
53.52288	4.1
55.36058	3.6
56.60226	4.8
57.41829	4.2
57.42736	4.3
59.01380	22.0
60.13520	3.9
64.70541	4.2
68.03671	4.0
71.01361	7.5
73.02938	10.8
85.02932	7.4
95.82107	4.4
101.02420	17.2
112.66754	4.4
113.02459	4.7
126.89951	4.7
146.32506	4.1
157.47658	4.7
161.04640	4.5
161.20256	5.4
281.08237	18.1
299.09106	5.2
311.09216	19.8
326.11594	29.1
329.13843	10.4
341.10233	18.5
341.13879	8.6
353.10321	28.3
355.08536	6.0
356.12619	74.7
368.12640	36.3
371.15012	100.0
383.14886	45.9
491.19214	6.4
533.20215	27.6
545.20477	10.0
563.21960	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	607.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55825	0.8
52.84362	0.9
57.03429	1.9
59.01377	22.2
71.01376	19.9
72.99294	4.3
73.02943	13.7
75.00864	18.0
81.01008	1.0
83.01373	4.1
85.02934	23.5
87.00852	7.9
89.02419	2.0
95.01341	1.5
97.02937	1.7
99.00850	5.8
101.02422	11.1
103.00412	1.4
113.02431	22.6
115.00336	2.2
115.04065	1.1
117.01909	1.4
117.61492	1.0
118.95938	1.1
121.10215	2.2
131.03470	4.1
173.04503	6.6
175.02470	2.1
183.10231	1.0
193.03479	1.1
214.99385	0.9
235.04549	4.0
387.16718	1.3
535.77521	1.0
563.19769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30423	0.7
53.52849	0.7
54.65482	0.8
55.05596	0.8
57.03443	1.8
59.01379	19.6
62.91565	0.7
69.03432	1.1
71.01379	21.6
72.99297	5.6
73.02938	12.4
75.00864	19.1
83.01373	6.2
85.02941	21.8
87.00863	6.3
89.02438	5.2
94.32941	0.8
95.01363	3.7
96.95984	1.7
97.02915	4.1
99.00851	7.9
101.02428	10.0
103.00391	1.5
110.46410	0.9
113.02430	31.3
115.00423	1.8
117.01974	2.1
121.10222	1.7
129.01913	1.3
131.03506	3.3
172.35730	0.9
173.04518	6.3
175.02463	2.1
193.03506	1.5
205.73502	0.9
235.04570	5.1
301.62399	1.0
318.09125	0.9
387.16635	1.6
403.77536	1.0
563.19830	100.0
579.44208	1.1
630.37610	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	607.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38845	0.7
59.01373	20.2
59.48763	0.8
71.01363	3.4
73.02911	1.3
85.02934	1.5
92.20019	1.0
93.03435	20.6
96.95999	7.8
101.02422	4.7
113.02406	1.7
137.02431	100.0
161.04553	1.6
167.25571	0.9
221.10316	10.4
239.01688	0.9
263.11368	6.0
299.07709	20.9
607.25885	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	607.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36338	1.0
57.03454	12.0
59.01373	7.9
93.76821	1.0
96.74098	1.1
99.04498	17.8
101.02409	2.8
104.33727	1.1
119.46137	1.1
125.02388	1.7
135.04478	15.7
142.89577	1.1
160.10866	1.1
161.02431	100.0
161.04555	4.4
179.01901	1.8
179.03481	52.8
179.05559	8.2
265.09241	24.6
341.08777	80.5
392.42929	1.2
586.53650	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	607.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07868	1.2
53.03103	1.1
59.01387	9.8
64.07514	1.2
87.00863	15.5
96.96001	10.8
113.02472	1.6
123.04504	45.2
149.06053	9.1
160.10431	1.4
165.05548	16.3
167.03458	6.9
174.72282	1.2
182.02139	1.5
193.05054	16.1
195.02982	23.7
219.02953	2.1
223.60944	1.5
255.05099	100.0
319.14014	2.8
385.14978	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	606.378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.5
71.52937	1.3
78.30305	1.3
78.95891	1.9
84.77936	1.3
110.22429	1.5
115.32287	1.4
117.55902	1.4
126.96408	1.4
135.79971	1.5
172.59778	1.7
172.72502	1.8
218.07214	1.6
219.06963	1.6
242.08174	1.7
301.16641	7.0
302.16769	8.1
303.16528	8.6
304.16574	6.6
307.26428	100.0
362.15515	2.2
415.81323	1.5
446.24612	3.2
454.76221	1.7
502.29224	1.5
532.34113	48.3
559.60040	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	607.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16506	0.5
70.43565	0.4
78.95916	2.1
79.95729	1.0
96.95998	100.0
96.96986	4.5
110.90248	0.4
122.29810	0.4
151.36964	0.4
162.41550	0.6
277.35965	0.6
347.11493	0.5
607.26129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83975	2.4
57.99969	2.2
78.17767	2.5
165.12822	49.9
176.07140	2.8
247.20650	25.9
273.18594	13.1
291.16623	5.0
291.19659	100.0
313.17822	10.1
323.60666	2.5
330.01450	3.4
330.46906	2.7
605.38403	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.0748
Annotation	Uridine-5'-diphospho-N-acetylglucosamine  sodium salt 
Peak:m/z	Relative Intensity
54.46765	2.3
54.68071	2.7
55.51823	2.6
61.36362	3.0
61.68016	2.7
66.45972	2.8
75.62994	3.2
78.95894	100.0
92.72743	2.9
94.88799	2.9
96.96001	26.9
96.96927	25.3
103.42966	2.9
105.55538	3.0
111.02030	21.1
138.45454	3.1
145.10449	2.6
146.95305	3.0
158.92506	66.4
174.97945	3.7
176.93602	22.2
197.20644	2.8
199.65511	3.9
223.27773	3.5
240.02692	3.7
242.45467	3.6
272.95764	28.8
282.03885	26.8
282.65485	3.0
305.01797	3.6
384.98373	12.5
524.91193	3.4
606.07544	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81952	0.9
59.01376	100.0
60.48906	1.0
71.01377	1.6
73.02927	1.5
76.26592	1.1
85.02962	2.0
89.02444	1.2
95.06129	2.3
99.28117	1.3
101.02408	1.4
113.02378	2.2
118.43452	1.2
146.06123	15.1
153.05623	2.3
156.32541	1.2
217.13518	2.5
231.72716	1.1
242.12976	75.6
242.15442	2.4
300.18295	23.3
527.35034	4.7
530.16608	1.6
538.29871	1.3
545.36102	99.4
561.24744	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	605.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76983	1.4
57.77194	1.3
59.01380	1.4
66.45293	1.4
83.77995	1.4
87.00860	1.9
88.00358	2.7
89.64231	1.5
92.19303	1.8
93.03422	2.3
98.78308	1.8
103.20963	1.5
123.88729	1.5
150.10492	1.8
151.11363	1.6
165.12823	61.3
244.10820	14.7
247.20679	38.7
271.92670	1.7
273.18552	20.6
291.19656	100.0
313.18036	17.9
361.93076	1.6
376.37817	2.2
404.83130	1.8
439.53241	1.8
605.38361	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
56.10548	0.9
59.01376	100.0
71.01372	38.9
73.02934	11.0
82.80943	1.1
83.01369	8.9
85.02943	20.4
85.81049	1.2
87.00848	6.6
89.02432	28.5
89.50041	1.2
92.19317	1.2
95.01371	4.6
97.02934	1.4
99.00864	4.4
101.02425	38.2
111.00847	2.0
113.02430	31.7
116.92805	1.3
119.03464	9.1
125.02430	6.2
135.17737	1.2
137.10498	1.2
139.80264	1.2
161.04489	2.1
185.24484	1.2
371.73651	1.3
517.26178	1.8
545.29669	78.0
561.24945	1.9
561.32660	10.5
563.30695	52.3
605.31976	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29000	1.7
59.01376	100.0
69.78204	1.7
71.01369	1.9
75.00844	2.1
78.17303	1.5
85.02905	2.6
96.96011	3.4
113.02376	3.7
146.06149	16.3
217.13408	2.3
220.15082	1.6
242.12982	77.1
243.66626	1.7
300.18286	19.2
533.53638	2.0
545.36139	87.6
605.24780	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	605.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19390	2.5
59.01368	15.6
71.01370	3.1
72.99293	5.3
75.87338	2.9
82.02991	3.5
101.02451	4.2
112.17924	3.0
136.07666	4.8
138.05626	3.1
138.09216	11.0
148.04039	23.8
149.09778	3.6
150.05597	21.6
156.85719	2.8
161.04840	4.6
173.03580	6.3
174.04330	16.7
175.05098	17.5
176.05991	3.6
189.06653	10.0
190.07439	6.1
201.07907	3.5
217.09744	4.7
231.07626	3.5
231.11435	3.6
232.08488	28.3
233.09282	10.6
242.08281	5.1
242.10535	4.1
244.08499	5.3
255.11314	12.1
257.09250	3.9
259.10907	3.5
287.13904	19.3
305.11472	3.7
312.13596	12.8
370.17657	14.7
379.16571	24.5
381.18036	13.5
396.19189	4.8
424.18747	5.0
424.88354	2.6
442.19778	24.0
468.17606	25.9
561.27167	41.1
587.25647	4.2
605.16791	6.3
605.26166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81579	4.9
59.01377	21.7
61.62678	4.1
62.25243	4.9
71.01356	18.6
82.02959	5.5
85.02941	5.5
85.86154	5.7
90.78461	4.7
92.19968	6.0
101.02442	7.8
113.02473	6.8
118.80643	5.3
120.11772	4.4
148.04016	21.4
149.04791	7.1
150.05565	34.3
154.05183	5.2
173.03519	5.4
174.04294	26.0
175.05124	8.5
191.08238	6.4
232.08458	28.8
233.09361	9.0
251.26929	5.9
269.08203	5.7
287.14066	34.5
312.13568	22.1
328.16589	10.7
334.96060	5.5
370.17795	37.9
442.19983	56.1
563.29681	6.1
605.25647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19262	5.9
57.39311	6.4
103.29993	7.0
104.35760	7.7
117.53529	7.3
134.38361	6.6
138.09233	10.6
148.04100	10.1
150.05582	8.3
161.04839	7.8
181.09875	8.8
199.07700	11.7
201.09183	7.6
215.05994	6.6
242.08252	11.3
244.09834	16.4
249.23531	9.9
258.10089	9.8
287.13928	10.5
302.76636	8.5
312.13943	11.2
370.18167	12.7
379.16644	33.0
381.18179	100.0
442.19302	9.1
475.42645	8.2
526.89160	8.4
561.27197	64.4
605.25897	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04477	3.1
54.05439	3.6
57.00480	3.2
59.01373	100.0
64.77747	4.1
71.01369	70.7
71.26514	3.4
73.02935	23.4
85.02924	17.0
85.49932	4.3
87.00851	14.5
89.02438	65.6
95.01368	4.4
96.96001	40.8
101.02418	72.4
102.98590	3.9
113.02431	51.3
119.03457	21.4
131.03476	24.2
136.05275	5.2
143.03461	5.0
145.05069	5.7
150.06845	27.0
159.02968	5.5
161.04559	48.0
164.04749	7.3
165.09225	60.9
172.53738	4.4
179.05653	44.6
180.72510	3.9
195.10374	4.0
211.69220	4.3
221.06612	35.9
235.08189	6.2
246.41660	3.9
255.94391	4.4
263.07678	18.1
291.23105	4.0
364.26501	4.3
439.14590	83.1
470.06970	4.5
554.69031	5.5
605.24530	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34634	1.0
57.02282	0.9
57.03439	2.3
59.01376	15.3
60.82327	1.0
71.01375	23.6
72.99293	1.7
73.02934	2.6
74.38720	1.2
75.00862	31.4
83.01338	1.8
85.02946	29.5
87.00866	11.6
89.02421	6.3
97.06573	4.8
99.00855	8.8
101.02424	6.2
103.00365	1.9
113.02434	32.0
115.00326	5.5
117.01940	1.6
129.01881	1.8
129.74890	1.1
131.03481	1.4
151.07481	1.2
169.08646	2.2
173.04523	8.0
203.08237	2.0
267.16013	2.2
270.45645	1.2
270.48807	1.5
370.08307	1.1
393.98880	1.1
605.24536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80191	1.6
57.41242	1.7
59.01377	33.3
66.31136	1.7
71.01371	27.3
73.02893	2.5
75.00862	1.8
85.02930	12.3
89.02413	22.7
91.74831	2.1
96.95992	12.9
101.02432	31.2
113.02435	20.9
119.03461	7.6
135.34741	1.9
137.02505	3.1
138.21930	1.9
161.04517	2.5
172.34164	2.1
211.97067	1.9
223.83177	2.1
286.42773	1.9
605.24615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16801	1.9
59.01088	2.8
59.01377	82.0
61.95621	2.0
62.55947	2.4
70.00098	1.9
71.01352	10.2
73.02941	3.1
73.26241	2.0
83.84390	2.3
85.02924	3.9
87.00848	4.3
89.02413	9.3
92.19395	3.1
92.84672	2.4
99.00809	2.4
101.02406	8.9
111.00835	2.7
113.02435	4.9
123.08146	24.7
124.74014	2.5
125.09695	14.9
141.09209	2.9
146.40520	2.6
151.07632	30.0
169.08656	24.0
173.68626	3.6
195.06639	3.9
213.07687	100.0
313.86304	2.3
347.17145	24.9
421.18604	2.9
431.22702	8.4
541.87262	2.7
605.24689	5.4
608.81213	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	605.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96271	0.8
57.03445	1.1
59.01088	1.5
59.01379	39.2
60.04457	0.8
65.20718	0.9
71.01373	24.8
73.02936	8.0
77.70042	0.8
83.01372	3.4
85.02941	10.9
87.00861	4.0
89.02443	13.3
94.04282	0.8
95.01366	1.2
96.95994	49.5
99.00883	3.3
101.02425	23.5
103.80650	0.8
107.78889	0.9
113.02431	15.7
115.00352	1.1
119.03481	5.8
123.08135	3.5
125.02437	1.2
131.03465	4.6
133.01451	1.1
136.93243	0.9
143.03458	1.5
152.55478	0.8
161.04573	9.4
162.11833	0.9
177.12877	7.6
189.07643	0.8
195.13927	1.9
209.04234	1.0
221.06728	3.4
221.11853	1.7
473.24380	0.8
507.20529	3.5
561.25110	1.8
605.24554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.201
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
50.84265	15.0
51.20317	12.3
53.57043	13.7
59.01362	64.3
67.97527	13.2
89.02415	23.2
96.95975	23.2
101.02428	18.3
102.25684	12.5
113.02391	25.0
349.44012	14.2
376.82095	18.1
504.18283	20.5
605.21124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36628	1.8
51.82764	1.9
59.01381	56.7
61.62873	1.9
71.01376	51.4
71.14272	1.8
73.02927	10.8
75.00874	3.7
83.01369	2.9
85.02957	18.4
87.00855	5.4
89.02436	71.3
94.02026	2.7
95.01389	3.0
95.04995	9.0
96.95985	28.6
99.00867	4.1
101.02430	51.5
107.03132	2.7
109.89854	2.8
113.02427	42.2
119.03485	32.4
125.02431	2.8
131.03503	16.9
133.01443	2.8
135.08115	3.4
143.03482	3.6
146.40309	2.7
149.09685	2.9
151.11276	36.7
159.02980	3.9
161.04541	32.7
162.55698	2.6
177.09216	44.9
179.05605	28.4
195.10268	100.0
195.11784	3.8
198.11342	9.1
198.28268	2.2
209.11826	4.4
216.12444	3.4
219.10245	26.4
221.06697	22.5
226.46661	2.4
235.76352	2.8
237.11319	10.9
249.11313	4.2
258.13379	4.1
263.07666	23.6
273.09363	2.4
297.13535	3.3
357.15601	5.3
561.22986	3.1
605.24414	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	605.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43944	2.7
52.99700	2.8
59.01379	4.5
59.72865	2.4
65.61396	2.6
68.52097	3.0
85.02926	4.0
126.44568	3.0
136.07631	3.2
151.04018	3.3
196.60948	3.3
213.06757	4.5
215.08287	30.4
221.17935	3.5
241.09785	3.2
267.03131	3.7
268.08545	24.7
279.06659	3.9
297.07678	19.5
309.07767	17.9
311.09052	4.7
312.09988	13.8
324.06354	3.8
336.06284	4.1
337.07175	61.0
338.08044	12.4
339.08743	12.8
341.06604	14.7
352.09561	14.3
353.06638	50.9
356.09082	27.7
371.11377	54.3
383.06317	3.4
383.11374	100.0
406.17761	40.1
605.26044	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29156	1.7
59.01376	73.6
71.01336	3.3
72.99294	5.3
73.02911	2.9
74.83821	2.1
77.77912	1.9
87.00849	47.9
96.95995	50.6
117.71033	2.2
123.04481	41.1
125.02379	3.4
146.01495	2.2
148.04126	2.6
149.06059	4.5
165.05550	29.8
178.06277	3.5
179.07191	2.6
181.04955	2.4
188.07253	2.4
191.07097	10.9
193.05009	12.3
193.08626	15.4
195.02911	22.2
230.05836	8.6
231.06906	2.5
242.07011	2.4
246.05246	16.1
255.05092	58.8
257.09317	74.2
261.07700	2.4
262.04831	3.1
269.09415	8.1
275.10315	11.7
277.07220	10.0
279.08664	8.1
287.10376	5.2
331.09238	4.2
337.09241	14.5
349.10367	58.2
501.55469	2.3
605.17303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70310	2.5
57.03445	26.6
59.01375	38.2
65.27476	1.9
71.01376	15.5
71.95632	2.2
72.99300	2.6
73.02930	3.0
83.01382	10.8
85.02951	11.4
87.00859	78.4
89.02457	10.4
92.58469	2.7
96.96006	21.2
96.96945	13.7
98.95576	14.8
98.96346	2.7
99.00874	27.0
101.02425	10.0
111.00867	38.4
111.51695	2.7
112.98744	17.7
113.02422	3.4
115.00370	2.7
127.52059	2.3
129.01917	31.7
130.99881	2.9
138.03218	2.7
142.32973	2.4
142.94365	2.4
142.99817	3.3
147.03001	30.3
153.05576	31.7
173.00893	24.5
174.01692	2.7
177.05534	3.6
179.07137	70.5
181.08754	2.3
191.01976	90.1
191.07242	3.1
194.05887	3.7
209.08180	24.3
223.06154	3.4
224.45482	2.4
237.07681	2.9
237.90341	2.5
250.04826	5.4
264.06320	32.8
265.04337	4.0
265.07153	100.0
317.69916	2.8
339.10861	3.8
383.09875	53.4
409.76932	3.0
427.12402	27.1
463.02890	2.9
487.14590	15.5
517.58429	2.8
545.15015	12.5
605.17834	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	605.14
Annotation	Unknow
Peak:m/z	Relative Intensity
76.25153	0.5
78.95909	0.9
79.95733	0.5
96.95999	100.0
96.96998	3.0
100.83331	0.5
144.91199	0.5
158.92183	0.5
187.47340	0.5
241.95639	0.5
463.18564	0.6
508.06436	0.6
574.70105	0.5
605.13531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.1
77.19833	0.8
78.95892	2.0
92.83241	0.8
124.07833	0.8
148.56650	1.0
152.99544	1.1
161.53981	0.9
168.04269	1.4
224.06979	1.6
242.08046	3.6
287.43988	1.2
305.24875	100.0
530.32562	64.8
604.36224	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	604.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84118	0.9
57.83781	1.0
59.01378	18.5
69.88286	0.9
78.95902	14.1
124.37886	1.0
134.87840	1.1
140.30231	1.1
152.99573	4.4
168.04320	4.6
168.23988	1.1
219.74043	1.0
224.06941	11.6
242.07971	2.5
277.91995	1.1
305.24872	100.0
530.32526	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
67.07105	0.3
71.01378	0.6
71.19727	0.3
73.02921	0.3
78.95894	2.9
79.95737	0.7
85.02948	0.6
92.19945	0.5
96.95999	100.0
96.96886	4.9
98.44801	0.3
109.46016	0.4
110.35957	0.3
112.55334	0.3
113.02429	0.5
119.03487	0.5
130.16356	0.3
179.05731	0.3
198.63274	0.3
201.49046	0.3
377.99011	0.4
538.08777	0.4
605.15540	0.7
605.24622	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	604.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90463	4.4
57.57645	4.5
59.01361	8.0
74.02464	9.2
85.63828	6.2
99.05622	11.4
101.02396	8.4
128.03517	45.7
143.04610	82.5
146.04634	9.1
149.79936	5.3
160.00797	7.9
167.04594	6.8
179.04530	11.3
210.08850	9.2
225.55544	4.8
229.17322	5.1
230.70125	5.8
234.45500	5.2
246.01743	4.7
254.07816	7.3
254.80505	4.8
272.08752	6.7
306.07663	100.0
604.27405	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	603.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79240	0.6
59.01377	2.3
60.99299	4.3
87.00858	12.2
88.00373	3.5
88.01206	0.8
88.98229	1.5
88.98791	46.0
89.02428	100.0
90.34745	0.6
96.87701	0.7
107.98096	0.7
134.03700	0.8
137.44246	0.6
173.36823	0.6
247.14720	0.7
253.65630	0.6
254.85120	0.6
499.32974	1.0
603.28082	3.0
603.37604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
55.50406	1.2
59.01377	39.9
62.49099	1.3
71.01375	34.1
73.02945	16.2
83.01370	8.5
85.02948	16.6
89.02419	14.8
95.01374	2.2
99.00857	4.9
101.01778	2.3
101.02430	41.3
113.02431	21.5
119.03415	2.4
125.02395	2.2
135.04475	1.7
143.03508	1.6
158.43387	1.4
159.02972	2.5
161.04573	10.7
399.06400	1.3
399.24109	1.8
446.14279	1.3
543.28076	1.8
561.29169	15.1
603.30286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37947	0.7
55.01872	1.6
57.03439	1.3
59.01085	1.6
59.01380	44.9
71.01375	37.7
73.02934	14.0
75.30013	0.9
78.38834	0.8
80.35629	0.8
83.01376	8.8
83.49477	0.8
85.02939	19.1
87.00872	1.8
89.02428	18.8
95.01367	4.8
99.00861	5.0
101.01797	1.5
101.02433	42.3
113.02431	20.8
119.03508	7.1
125.02445	3.2
131.03467	5.3
143.03494	3.6
161.04529	14.5
179.05649	4.9
185.23521	1.0
203.29700	0.9
221.06627	7.2
263.07684	1.2
362.37872	1.0
399.24088	1.2
500.72525	1.0
561.29205	13.0
596.23566	1.3
603.30273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
68.74152	2.0
71.01373	43.2
73.02945	16.1
83.01383	8.6
85.02947	20.0
87.00848	2.3
89.02440	25.8
95.01369	2.7
99.00874	8.4
100.93286	3.9
101.02420	35.7
113.02431	30.8
116.92841	27.6
119.03474	9.1
130.99083	2.5
210.93007	2.5
281.63068	2.3
483.29446	4.8
499.29300	2.7
543.27972	64.6
561.29053	42.2
603.16937	6.2
603.31030	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	603.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18540	1.9
55.01883	1.8
55.73977	1.9
56.61202	1.9
59.01378	53.3
71.01376	39.7
73.02946	17.2
83.01388	8.9
85.02939	17.0
89.02431	15.2
91.39302	2.1
92.19966	4.4
95.01374	2.5
99.00867	9.0
101.02440	49.3
108.06598	2.4
113.02460	25.3
128.03564	4.4
143.03523	2.4
151.16180	2.1
161.04521	16.6
171.07739	10.2
182.55576	2.4
229.56512	2.2
322.28470	2.3
379.09042	2.4
441.24466	2.4
543.28149	2.5
561.29224	32.6
603.30249	100.0
603.38605	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	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01379	100.0
71.01378	44.0
73.02935	12.4
77.10664	1.1
83.01392	2.2
85.02943	17.3
87.00866	6.9
87.82376	1.0
89.02438	39.8
95.01382	5.1
96.96036	1.7
98.95575	1.2
100.93340	2.1
101.02439	29.2
109.51880	0.9
113.02436	29.7
113.75107	1.0
115.92040	2.0
116.92850	24.0
119.03477	12.2
121.02966	1.7
123.04498	3.8
124.36816	0.9
130.99847	1.5
131.03429	1.2
143.03523	1.4
143.56528	1.1
149.06078	3.8
161.04517	7.9
165.05527	1.5
175.04012	2.4
179.05618	4.3
193.05014	1.7
199.82771	1.0
219.02933	1.0
379.16699	1.6
426.83902	1.2
459.98059	1.0
499.29150	1.1
502.71536	1.1
543.28125	63.4
559.25916	1.9
561.29230	32.8
603.14856	12.1
603.30945	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	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69556	1.2
56.80246	1.2
59.01380	100.0
71.01378	14.4
73.02932	8.2
83.01366	1.6
85.02927	15.8
87.00866	8.2
89.02416	7.3
99.00826	2.3
101.02422	15.8
102.98570	2.8
113.02438	17.5
118.09763	1.8
123.04499	1.7
125.02413	2.2
149.05934	1.8
160.61528	1.5
161.04532	2.3
175.04070	1.8
194.48640	1.7
222.54132	1.5
262.07245	5.2
278.07410	1.5
281.52771	1.6
289.21402	2.4
326.59326	2.0
469.27917	6.9
499.29160	52.2
517.30212	10.2
543.28204	11.4
559.31213	38.4
603.13391	6.0
603.22632	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	603.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21118	6.1
59.01374	45.9
59.41259	6.3
61.65674	7.9
62.11412	7.2
70.47532	8.3
71.01367	15.7
73.02924	9.8
85.21792	8.5
85.40465	8.8
101.02439	14.8
113.02374	9.9
136.07678	57.6
150.05598	11.2
154.44269	7.7
179.08246	8.5
199.07518	11.7
242.08220	11.2
254.73648	8.0
287.14136	9.5
312.13541	14.5
354.18042	14.8
379.16705	47.0
550.86737	8.5
559.25580	100.0
561.29474	14.4
603.23938	11.5
603.31097	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	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03458	2.2
58.46019	1.7
59.01376	54.9
71.01377	41.6
73.02929	13.7
83.01373	9.5
85.02936	19.9
89.02442	21.7
97.02905	3.0
99.00871	3.9
101.02435	41.6
113.02438	28.6
119.03480	4.1
125.02497	2.3
143.03537	2.4
159.02991	2.4
161.04517	11.8
217.99718	1.9
292.06821	1.9
441.24997	2.2
561.29163	17.1
603.30310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2464
Annotation	N-Demethyl-desepoxyansamitocin P-3
Peak:m/z	Relative Intensity
50.15402	7.0
53.01492	7.6
56.78707	6.5
58.16704	8.3
59.01366	12.2
59.74751	7.1
60.14703	6.8
61.98825	21.3
71.01349	9.9
89.02390	10.4
101.02438	13.2
102.94563	8.0
136.07680	62.4
150.05562	12.9
179.08250	10.6
198.06770	12.4
199.07545	13.3
199.64006	9.5
209.49908	8.5
217.09801	9.7
229.06201	18.8
241.07416	11.7
254.08163	13.0
276.95795	8.6
287.13840	11.3
295.84286	7.9
312.13397	14.0
322.04633	9.5
328.75003	8.0
346.90619	8.6
354.17950	16.7
379.16647	55.5
396.19446	16.0
559.25037	100.0
603.24432	61.1
603.32220	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	603.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68993	1.1
55.01864	1.8
57.03451	1.9
57.36393	1.4
59.01379	26.1
61.98823	1.4
63.32575	1.3
69.03375	1.4
71.01375	23.9
73.02927	6.9
74.02469	2.9
75.00858	7.8
85.02943	14.2
87.00847	3.5
89.02425	19.6
95.01370	1.9
99.00871	5.7
101.02437	19.6
102.06879	1.6
109.02894	1.9
113.02435	29.0
114.05602	23.3
116.03513	2.9
119.03473	3.0
131.03441	9.2
133.06596	3.3
153.63573	1.6
154.08720	7.6
160.11977	1.5
161.04591	10.1
179.05605	2.3
203.08191	5.5
221.06578	8.1
225.16222	2.1
227.14037	13.3
245.09308	11.5
269.14978	9.3
313.14038	8.0
361.15994	1.6
603.23004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17658	4.5
59.01366	7.4
82.03005	4.8
88.98781	45.3
89.02430	45.7
89.57178	4.2
99.05634	7.9
127.05099	20.3
175.91214	5.5
191.07101	7.0
267.06522	12.2
275.10211	9.9
276.79730	6.9
279.06491	6.9
282.08963	26.8
293.04495	6.2
294.08984	10.1
297.11298	21.1
499.18945	23.2
511.18823	24.5
571.56561	6.1
573.22333	10.6
585.22675	35.7
603.23505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04082	1.1
64.15894	0.6
70.88783	0.6
71.01370	1.6
78.95893	18.8
87.00864	6.9
92.14443	0.7
96.95995	42.3
96.96947	100.0
97.02937	1.1
97.87846	0.7
111.04525	1.1
125.06063	6.4
140.36044	0.9
146.82222	0.8
166.08684	1.4
169.05037	0.8
171.30518	0.8
208.10902	17.2
218.88638	0.8
252.09924	20.7
291.54163	0.8
350.07584	32.3
359.10059	1.0
379.38135	0.8
633.92432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00867	2.9
96.95975	4.5
107.05009	11.0
121.02952	1.1
133.06583	6.7
135.04491	1.1
149.06056	21.0
157.08682	1.3
177.05554	29.2
179.03481	55.7
195.06606	5.6
221.04651	1.2
233.90727	0.7
239.05605	100.0
273.24133	0.8
363.12897	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	603.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	83.5
66.66249	3.9
69.93253	3.8
71.01369	19.5
73.02921	37.4
83.01376	6.9
84.90628	3.7
85.02948	23.8
87.00864	13.0
89.02437	7.4
96.95970	5.3
101.02424	41.0
111.00864	5.9
113.02433	20.0
123.08134	20.0
125.09695	25.7
127.83358	3.0
151.07596	28.7
161.04584	4.2
169.08632	14.7
195.06602	5.4
213.07675	100.0
221.91934	3.8
237.11183	3.5
326.61609	3.9
429.21048	10.6
433.51593	3.3
514.56213	3.3
559.24146	7.1
603.22711	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	603.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
83.05025	2.7
87.00866	87.4
92.19437	1.5
93.03417	15.5
96.96003	15.9
98.95596	1.5
98.96423	1.3
111.04505	12.5
121.02929	1.7
121.42316	1.4
137.02451	28.0
137.32620	1.6
155.03467	7.4
199.06172	2.2
214.71672	1.4
243.05074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39531	0.3
59.60139	0.3
71.01345	0.5
77.66293	0.3
78.95895	2.6
79.95719	0.6
87.46927	0.5
88.40701	0.3
96.95993	100.0
96.96917	15.4
102.64405	0.3
125.06037	1.4
138.03217	0.9
179.12941	0.4
196.38950	0.4
208.10861	3.2
252.09908	3.2
262.67685	0.4
350.07089	9.5
506.81381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74516	0.3
59.35389	0.3
61.98539	0.3
71.01379	0.4
72.78059	0.3
78.95898	3.0
79.95750	0.5
87.00847	0.6
96.95997	100.0
96.96912	14.3
125.06095	0.6
208.10956	2.1
252.09747	3.3
308.88959	0.4
311.42462	0.3
318.84869	0.4
350.07037	7.4
504.31476	0.4
608.32233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99767	4.1
59.01368	18.9
74.98189	4.0
78.95896	8.8
82.95397	5.7
83.02500	6.5
115.42867	4.4
126.02766	4.9
133.49707	4.2
165.00990	4.5
224.06989	17.9
303.23212	45.5
528.30969	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	602.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78501	1.5
57.41969	1.7
57.54658	1.6
59.01388	17.9
67.32823	1.9
72.99294	2.0
78.95898	11.8
87.00888	2.9
88.00391	7.7
90.99590	1.9
152.99608	2.2
168.04305	2.4
172.66672	1.9
224.06877	12.2
242.08020	10.4
262.38361	2.0
303.23318	71.8
406.35513	2.2
438.83682	1.9
528.30945	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	602.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
79.15540	3.0
92.19424	3.7
152.46794	3.2
247.58379	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	602.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.2
67.99467	1.3
71.01357	10.5
76.80376	1.1
78.95895	5.0
87.00834	1.1
88.66775	0.9
89.02422	11.4
95.73799	1.1
96.51063	1.0
97.22594	1.4
101.02451	1.5
108.91348	1.2
113.02462	1.8
115.82554	1.3
117.14793	1.1
152.99525	1.3
168.04283	1.7
224.06786	1.2
242.07886	2.1
248.24263	1.1
259.24295	1.4
277.21729	6.8
278.22086	10.8
280.02051	1.2
303.23300	100.0
341.10989	1.8
342.11230	2.1
479.33533	1.1
498.39731	1.2
528.30975	76.9
602.33630	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	602.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69091	1.1
58.02965	1.1
59.01361	2.1
75.06453	1.2
83.02499	5.7
84.00880	8.6
92.20034	1.2
96.00887	2.1
98.02472	14.9
110.02467	13.1
111.47145	1.1
112.04037	10.4
115.05138	8.2
129.10316	1.9
130.08708	29.6
130.09644	1.9
138.09238	28.8
151.08702	1.7
153.02966	1.4
153.05261	1.4
154.01439	12.3
167.11865	1.7
168.11401	18.7
169.09790	12.1
179.11864	7.3
186.12457	15.9
187.10854	1.6
195.11395	5.0
205.09805	2.7
210.12460	100.0
223.10857	25.1
228.13541	30.7
267.09857	75.1
267.12109	1.6
267.12762	1.8
540.26648	11.9
558.27716	7.0
584.29352	59.6
602.30377	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77092	0.8
65.96819	0.8
71.02507	3.2
72.00896	3.6
74.02439	0.9
85.60286	0.9
88.46844	0.8
91.05521	1.5
93.03431	2.1
103.27203	0.8
106.09003	0.8
107.05002	1.1
111.02016	1.5
116.05017	4.8
118.06628	6.3
119.05006	11.2
131.04947	0.9
133.05345	1.3
134.06123	9.5
136.07695	1.8
139.38004	0.9
146.06107	10.7
147.04480	3.9
157.05310	5.3
158.06155	6.2
160.07692	1.4
161.07222	3.4
162.05618	6.0
163.03967	10.1
173.07195	3.7
180.06671	33.0
184.06418	1.1
185.07228	1.3
186.05606	2.1
189.06721	8.4
191.08267	3.4
195.05597	1.2
196.06329	1.5
200.05907	11.8
200.08192	1.4
201.06671	6.8
203.08284	1.2
209.07251	1.3
218.06915	1.8
221.09576	3.9
222.09158	1.1
246.11691	1.2
247.12404	2.1
248.10828	5.9
259.09961	1.2
259.12439	2.1
264.10284	5.6
266.11819	1.8
273.10345	9.5
276.10110	1.5
285.10327	9.2
286.11115	12.5
289.10080	1.0
291.11411	19.4
292.09732	4.4
309.12451	10.4
310.10892	1.2
327.13583	5.2
377.16641	14.6
421.15659	24.2
558.24268	4.0
567.03479	1.0
584.22028	4.7
602.23010	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	602.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68250	5.5
57.77228	6.0
68.83454	6.0
71.00136	6.5
78.95883	56.2
81.70094	6.5
96.83276	6.4
100.93324	6.7
108.25330	6.6
113.36559	7.0
134.59373	5.9
141.96037	7.5
152.99597	67.5
162.40196	6.0
178.88359	8.9
179.89166	26.6
196.89473	36.8
235.91658	14.5
305.24805	28.7
395.14877	7.1
582.91833	8.2
602.21692	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	602.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72309	2.0
50.82065	2.5
52.56139	1.9
59.01371	2.1
68.18565	2.4
71.01377	5.4
72.04565	2.3
74.02469	2.7
87.00881	2.3
88.04026	50.9
115.00365	24.5
115.03574	2.2
132.03014	68.9
137.09732	3.3
152.10802	22.1
153.09187	11.1
162.12790	4.5
206.11926	3.2
224.12987	9.4
247.11806	2.7
250.10722	2.6
262.60370	2.6
312.10855	100.0
381.84177	2.6
575.17072	2.7
602.14441	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	602.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	11.1
100.78350	1.8
110.90909	1.5
119.05001	43.8
123.04430	6.2
126.05599	9.9
137.06110	1.8
142.64673	2.1
145.02950	57.1
149.02417	59.0
188.10750	3.7
200.20032	2.0
206.11804	9.7
232.09753	32.3
250.10759	8.8
263.76147	2.1
267.93909	1.9
269.08185	100.0
310.92526	1.9
352.15530	13.0
396.14648	4.4
431.13428	24.4
558.20233	3.2
602.18860	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46389	1.6
57.00179	1.7
59.01360	2.9
63.91296	1.6
72.18500	1.8
72.49705	1.8
73.47200	1.7
75.26340	1.8
77.59093	1.9
87.00861	100.0
98.09241	2.2
101.02457	1.9
134.10789	1.8
136.17403	1.8
166.15167	2.2
178.55537	2.0
333.18921	3.2
557.46558	2.2
601.27582	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	602.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82348	0.5
59.01369	1.2
60.08566	0.5
61.98829	100.0
64.05107	0.6
71.01370	2.6
75.00869	2.8
82.51066	0.7
85.02957	1.1
90.01780	0.5
113.02441	3.0
141.21649	0.6
143.53247	0.6
162.95937	0.7
172.29219	0.7
191.87479	0.6
307.11771	0.7
317.81619	0.6
358.59113	0.6
366.92392	0.6
558.22821	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	601.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01521	4.8
52.35126	5.5
62.61205	5.6
74.87601	6.4
159.06686	5.9
220.69200	6.0
221.27539	6.5
236.78342	5.8
253.09372	8.2
305.24841	100.0
580.02637	6.9
592.11829	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	601.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92343	0.5
62.77202	0.5
67.17860	0.5
71.53585	0.5
77.91936	0.6
78.66026	0.6
87.00861	100.0
92.19364	1.2
95.24154	0.6
134.03705	3.2
146.10892	0.6
149.06087	6.3
160.29160	0.7
187.28459	0.6
191.05217	0.6
244.09361	0.6
331.16702	1.4
332.17242	0.8
499.33881	0.7
529.72137	0.7
601.27594	6.9
601.36133	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	601.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00858	100.0
90.93775	8.7
97.19052	6.6
110.92661	8.0
150.42574	6.5
328.04645	7.2
402.09256	7.0
421.34384	7.4
489.18018	7.2
615.35242	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	601.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28011	0.7
54.41331	0.7
57.03413	0.8
57.23972	0.8
64.16293	0.7
70.77127	0.8
97.06561	4.6
113.36684	0.7
122.91596	0.7
123.08118	0.9
125.09711	88.8
126.64837	0.8
161.62708	0.9
169.08641	5.9
187.09766	100.0
192.12581	1.0
223.52682	0.8
225.11467	1.2
261.13409	16.3
431.22775	3.6
483.07892	0.8
601.32343	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33557	0.9
55.01859	1.6
57.03436	1.3
59.01379	36.9
60.34438	1.1
71.01369	30.3
71.20702	1.0
73.02932	12.6
83.01366	6.7
85.02934	15.6
89.02425	13.2
92.16543	1.1
92.19392	1.7
95.01363	1.9
99.00851	1.9
101.01792	1.5
101.02430	32.1
113.02435	20.8
125.02438	4.1
135.75160	1.0
159.02968	2.1
161.04573	13.4
165.22723	1.2
182.71101	1.2
195.22145	1.4
221.06886	1.2
320.93069	1.2
439.23206	1.3
480.35580	1.4
559.27759	9.4
601.28705	100.0
601.37372	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	601.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54372	0.6
55.01857	0.9
57.03445	3.2
59.01374	25.3
64.06145	0.7
64.29950	0.6
66.33181	0.8
71.01366	18.8
72.25738	0.8
72.99294	4.1
73.02934	5.1
75.00861	21.8
83.01370	3.0
85.02934	31.3
87.00852	6.3
89.02441	1.1
95.01359	4.3
97.02901	0.7
99.00871	8.5
101.02436	5.3
111.00842	0.9
113.02433	33.8
115.00345	1.8
117.01903	1.7
148.72270	0.7
157.68729	0.7
175.02452	1.0
179.35776	0.8
287.25928	0.9
377.51782	0.7
571.42523	0.8
572.14764	0.8
601.28693	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	601.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05786	8.4
59.01389	10.4
62.76530	7.5
71.01392	7.4
75.96058	7.6
77.00845	7.1
85.02929	7.8
101.02448	10.9
130.76385	7.6
132.38686	6.8
134.03702	37.3
134.05368	8.1
149.06073	100.0
210.43872	8.8
218.08365	10.0
248.70981	7.6
331.16568	39.3
332.17453	14.3
347.19772	14.1
486.15604	7.8
601.27948	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2667
Annotation	Oxidized dinoflagellate luciferin
Peak:m/z	Relative Intensity
55.22568	2.0
59.01365	20.0
70.89414	2.3
71.01382	3.2
71.07713	2.3
72.78899	2.1
72.99291	21.7
73.02959	3.6
85.02951	3.4
86.33098	2.4
87.00860	10.5
87.90475	2.5
101.02429	4.7
117.31678	2.5
127.82790	2.5
146.06114	4.4
183.05315	12.2
214.07996	2.8
227.08205	5.3
241.09865	4.1
255.11392	42.6
267.11432	10.1
269.12891	11.9
271.14429	3.8
285.12564	3.4
287.90430	2.3
378.18283	3.1
453.19070	4.2
601.26654	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	601.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.5
69.02456	1.6
71.01375	48.7
73.02932	13.3
81.78445	2.0
83.01372	3.0
85.02930	17.6
87.00877	3.1
89.02424	24.2
91.05545	1.9
96.96011	3.1
99.00877	4.3
99.04539	1.7
101.02430	48.7
107.53928	2.1
107.80437	2.2
113.02436	25.2
119.03468	7.9
143.03406	2.9
148.05193	2.1
161.04523	11.4
161.10655	1.7
179.05623	2.8
211.27217	2.1
307.17603	10.7
309.07043	1.9
414.10632	2.1
439.21658	14.0
530.30219	1.9
601.27252	100.0
601.36951	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	601.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	18.0
71.01389	5.5
77.02691	3.3
89.02453	4.0
96.95960	5.8
101.02457	4.5
113.02419	4.7
116.92831	20.1
122.03658	7.2
149.02437	4.9
150.03203	72.1
153.84946	3.8
165.05536	100.0
166.02629	5.6
172.05385	5.3
175.03937	4.8
180.04219	5.9
181.04993	5.8
189.05627	5.7
190.06400	14.5
195.06593	30.0
244.03568	4.1
279.67349	3.9
329.09747	4.5
342.11136	7.9
357.13400	15.5
387.14352	8.5
449.62772	4.5
500.48178	4.2
506.44708	4.5
535.19940	24.9
563.62671	4.6
583.21692	37.3
601.29297	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	601.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35282	10.8
59.39472	10.6
59.76852	10.5
72.38022	11.3
83.66100	10.8
91.06351	11.6
91.77446	12.6
92.19376	13.3
99.35829	13.6
108.74167	12.7
137.82724	13.4
138.02515	11.2
148.03929	13.3
159.05594	16.2
177.06673	65.0
221.05956	12.0
312.13629	18.5
354.18289	13.1
534.75476	15.6
557.24005	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	601.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.3
77.79318	7.3
99.26746	6.0
109.85812	7.3
123.05842	7.3
146.03737	8.8
149.02428	11.1
150.03229	93.0
164.04816	28.4
165.05562	100.0
179.07146	8.1
181.05011	10.9
190.06425	8.1
195.06607	28.7
218.95114	6.5
337.41550	7.5
357.13504	12.1
358.98987	7.5
535.19592	29.0
583.21863	50.6
601.24646	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	601.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08321	1.5
53.55413	1.5
59.01382	4.0
62.45919	1.7
68.58288	1.8
71.01407	2.4
79.25768	1.7
96.96000	2.9
116.92829	1.9
135.04507	1.9
136.01717	2.0
149.02399	9.6
150.03210	73.4
151.04004	2.2
164.04724	3.5
165.05562	100.0
165.06963	3.7
166.02701	3.7
180.04193	4.2
181.05072	9.0
194.05815	2.9
195.06621	44.8
254.20799	1.9
272.94922	1.8
297.07529	3.1
342.11023	2.0
357.13431	4.4
387.14520	7.3
388.33890	2.0
553.20941	2.5
565.21716	2.0
565.30066	3.7
583.21729	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	601.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20660	1.3
54.57338	0.9
57.03437	2.2
59.01379	22.1
71.01373	26.3
72.74936	1.1
72.99295	6.5
73.02943	1.7
73.20287	1.0
75.00436	1.5
75.00865	36.2
75.01266	2.0
77.24158	1.0
77.40398	1.0
83.01373	2.5
85.02940	31.0
87.00864	9.2
89.02440	13.5
95.01363	2.5
97.02930	2.4
99.00868	9.8
101.02415	12.6
105.20250	1.1
113.02435	51.3
115.00359	1.9
117.01908	1.5
119.03472	1.9
131.03519	8.8
168.86734	1.2
173.04504	11.1
176.80840	1.1
191.05586	1.3
235.04697	1.8
247.36578	1.1
526.20050	1.2
557.22412	100.0
601.21350	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14291	1.0
54.18436	1.1
54.77051	1.0
57.03465	1.3
57.43544	1.0
59.01377	20.7
61.98828	5.2
62.57459	1.2
71.01372	23.9
72.99294	1.9
73.02943	2.1
75.00864	25.1
81.20482	1.3
83.01382	2.7
85.02924	22.4
87.00861	8.0
89.02452	9.9
95.01369	1.8
99.00868	8.6
101.02426	8.5
113.02438	30.4
119.03490	1.8
123.85015	1.4
131.03487	6.1
173.04536	6.4
191.05627	1.4
290.30618	1.7
350.57010	1.3
409.52451	1.3
427.16739	1.3
557.22375	100.0
601.21594	8.7
606.62067	1.5
624.63849	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	601.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.9
78.80013	1.9
78.95904	15.2
79.52154	2.0
81.03427	2.9
83.05012	10.1
87.00858	7.4
93.02887	3.4
93.03449	71.4
96.95996	29.5
96.96948	37.7
109.70741	1.8
110.03708	2.2
111.00875	10.2
111.03781	3.1
111.04511	60.2
137.01445	3.9
137.02438	87.1
137.42430	1.9
153.88541	1.9
155.03490	100.0
160.98598	2.3
161.02422	7.6
179.03429	3.3
201.87294	1.8
215.05602	73.4
245.07304	1.9
259.02185	26.7
259.04617	3.1
281.00598	2.9
304.97995	1.8
318.41766	2.7
341.11438	2.7
394.21640	2.0
503.14175	4.3
528.59851	2.1
557.17114	2.3
600.98206	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	601.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.4
59.01374	44.4
61.36316	2.1
62.11541	2.3
64.45531	2.5
71.01373	42.8
72.99303	3.5
73.02926	3.1
75.00867	35.1
85.02935	31.6
87.00869	14.5
89.02422	24.3
92.19374	3.4
93.41554	2.7
95.01373	3.5
97.02924	4.5
99.00862	11.7
101.02426	17.1
113.02444	58.6
119.03445	4.5
125.38741	2.5
131.03456	11.2
151.81363	2.7
153.09224	11.5
171.10310	6.1
173.04514	15.7
189.12793	3.5
191.05460	2.7
196.45515	2.4
199.84544	2.4
215.09322	5.9
217.33345	3.2
257.10355	4.1
397.18817	2.6
557.22302	100.0
583.11359	3.5
601.21112	60.0
601.38910	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	601.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25791	0.7
69.41940	0.7
72.38055	0.9
78.95895	49.1
80.98622	0.7
89.02402	0.9
92.11244	0.8
96.95995	54.9
96.96946	100.0
111.02026	1.1
111.04450	0.8
116.72951	0.8
117.68718	0.8
137.02443	0.9
138.98010	3.9
187.43948	1.0
199.00114	0.9
212.50838	0.9
220.67461	1.0
241.01418	1.4
257.04175	1.1
259.02240	48.7
260.74277	0.9
286.04340	0.9
472.40326	0.9
601.14099	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	601.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30479	0.5
52.84192	0.6
54.81948	0.7
61.28748	0.6
71.37239	0.8
78.95901	1.0
79.95752	0.7
87.00859	0.8
96.95993	100.0
96.96986	3.4
135.04512	7.2
155.03450	1.0
161.02428	27.3
176.19792	0.8
179.03488	33.5
179.05698	0.9
208.37067	0.8
259.02267	1.4
314.01315	0.8
341.08804	24.3
503.14072	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86778	0.9
56.91462	1.0
76.91096	1.1
78.95905	9.8
95.75634	1.2
96.95994	54.3
96.96939	20.6
123.04454	2.0
133.02943	1.9
135.04515	19.4
137.02444	1.5
145.22719	1.1
152.01131	1.2
154.01334	1.3
155.03522	1.9
161.02429	94.1
167.03481	7.8
169.32347	1.4
179.03491	95.6
195.23058	1.1
199.00076	1.6
215.05515	1.4
259.02222	12.6
276.36710	1.1
300.27750	1.5
323.07803	1.7
340.07977	1.5
341.08768	67.4
503.14072	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	601.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33510	0.4
52.94652	0.4
63.94614	0.5
74.86121	0.5
79.95714	1.0
81.98920	0.5
96.95995	100.0
99.69836	0.5
135.04466	0.6
161.02417	1.1
167.39679	0.5
179.03499	3.0
231.42079	0.6
234.09744	0.8
249.12440	4.3
268.08383	0.9
278.71997	0.6
294.01685	0.6
321.59381	0.6
327.10165	2.9
328.10510	3.3
341.08676	2.1
411.17618	0.9
503.13867	2.1
601.20227	0.6
605.93970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35979	0.2
59.01389	0.5
62.35683	0.2
66.48039	0.3
69.41175	0.3
71.01383	0.3
71.79733	0.3
76.90920	0.3
77.34477	0.2
79.95728	1.7
87.98638	0.3
89.02415	0.6
96.33702	0.3
96.95995	100.0
101.38941	0.2
119.63618	0.2
135.04475	0.4
139.50522	0.2
154.48975	0.3
161.02428	7.1
166.02675	0.4
179.03479	3.2
426.75360	0.3
503.14026	4.6
541.21686	0.4
601.10870	0.3
601.20520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31221	0.4
58.76086	0.4
60.53693	0.4
61.02488	0.4
78.95901	0.6
79.95722	1.0
96.95996	100.0
135.04506	1.8
161.02423	6.8
163.74646	0.4
179.03526	2.7
187.26566	0.5
192.99637	2.8
252.91095	0.5
339.83679	0.4
341.08679	4.2
503.14087	4.8
601.10895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28781	0.5
51.40022	0.4
63.24870	0.4
77.27110	0.4
77.81227	0.5
79.76473	0.5
79.95731	1.0
83.56649	0.5
93.03452	0.5
96.52132	0.5
96.95994	100.0
116.45517	0.5
135.01083	0.6
135.04471	2.0
158.48201	0.6
161.02414	5.7
179.03450	6.5
182.68748	0.5
193.45509	0.5
220.72995	0.6
233.79471	0.5
326.77463	0.6
341.08838	5.4
352.19955	0.5
471.65585	0.5
473.60800	0.6
494.47290	0.5
503.14084	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	600.339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80001	7.5
55.94849	7.7
57.82457	7.4
58.63638	6.5
59.01372	13.0
61.03487	6.3
64.68351	7.1
84.00891	100.0
224.83780	7.4
263.53552	8.2
279.23181	58.4
297.63608	7.8
303.23419	35.4
304.23599	64.5
372.02283	8.5
614.04303	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	600.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46004	1.6
59.61158	1.5
61.98840	2.1
63.17538	1.5
92.19446	2.3
123.74088	1.6
161.78709	1.7
332.40433	1.9
600.39008	100.0
600.48621	3.3
607.50006	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	600.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85686	2.2
59.01381	25.4
59.38401	2.6
78.95911	3.6
120.14389	2.8
165.44125	2.5
178.28079	2.9
181.79926	2.6
203.18065	3.9
217.32971	2.7
242.08009	5.8
257.22726	4.3
301.21735	44.4
526.29388	100.0
601.44281	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	600.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24377	3.1
50.80359	3.2
61.98832	100.0
97.65356	4.0
145.45454	4.2
353.73282	4.1
415.88617	4.4
568.71326	4.4
604.87177	4.9
613.92590	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	600.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19402	0.6
61.98826	100.0
78.95890	0.9
92.19937	0.9
94.43645	0.6
130.90329	0.7
175.03990	0.7
186.56261	0.6
186.70171	0.8
223.45934	0.7
275.42984	0.7
289.28549	0.7
403.24899	0.9
519.30005	1.3
537.30658	7.7
560.41663	0.7
602.22308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64785	4.0
56.11391	3.7
61.98537	7.0
61.98829	100.0
68.41404	4.0
93.00244	3.9
127.68333	4.3
158.23854	4.4
168.85411	4.3
212.93806	4.8
215.44554	4.8
219.30193	4.9
224.64717	5.3
298.68057	4.5
468.65994	4.5
523.55817	4.6
561.99506	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	600.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28237	4.1
56.85802	4.3
58.02925	3.9
60.54437	4.7
61.09332	4.3
74.02454	11.4
78.45733	4.6
79.32652	4.5
84.95103	6.1
99.05594	11.8
116.18396	6.2
121.22183	5.5
128.03500	50.5
133.19510	4.5
143.04602	78.8
179.04637	6.1
210.08853	11.9
254.07884	8.7
334.67191	5.5
600.29651	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	600.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15008	2.7
60.22419	2.8
81.03453	7.1
83.01360	7.2
85.19786	3.1
91.04044	2.7
96.95990	15.2
97.02922	15.0
99.04495	23.1
116.09092	3.3
125.02432	100.0
127.00375	3.9
136.74239	2.9
143.03471	15.3
151.22987	4.0
159.02945	33.7
187.02464	60.9
206.84544	3.8
219.05095	86.7
265.86957	3.0
325.31781	3.7
346.16312	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	600.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.78234	0.6
62.80922	0.5
66.18120	0.6
68.55063	0.6
76.99751	0.5
81.85560	0.6
92.19379	0.7
267.40237	0.7
312.64203	0.7
362.70847	0.8
600.28815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38049	0.4
57.73511	0.5
63.61429	0.5
64.94642	0.4
71.01354	0.6
80.31240	0.6
90.55795	0.5
90.98566	0.8
96.95986	2.6
99.04531	0.5
101.17014	0.5
125.02394	2.7
143.46779	0.6
153.00151	3.9
155.08177	0.6
155.41888	0.6
165.05510	0.8
173.54295	0.6
180.99632	2.9
187.02371	0.8
197.04564	2.3
219.05026	2.9
233.09296	19.0
249.12352	1.0
261.08737	1.2
265.11984	3.0
267.08075	19.8
293.11514	4.7
295.07635	1.2
309.09622	0.7
327.10205	100.0
380.15594	1.1
381.15948	1.0
400.01120	0.5
405.17480	0.5
525.96985	0.9
526.80029	0.6
600.19763	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	599.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78127	1.4
54.22882	1.7
59.01377	17.3
59.38556	2.0
64.59253	1.6
65.75799	1.7
89.02460	2.0
101.02424	3.8
113.02396	3.6
141.52222	1.8
156.67055	1.7
169.06081	1.8
220.41504	2.2
249.25740	1.8
253.09366	7.4
268.51041	2.3
303.23297	100.0
395.78769	1.7
539.32104	1.9
550.31781	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	599.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72413	3.2
56.15932	3.0
59.01371	17.5
61.52634	4.7
84.94776	3.2
91.36938	3.9
95.77568	3.5
108.67280	3.5
199.76224	3.6
253.09198	6.0
303.23315	100.0
317.30829	3.9
569.93481	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	599.2889
Annotation	Scutianine J
Peak:m/z	Relative Intensity
52.66358	2.4
59.01372	10.2
71.01363	4.7
79.02055	2.8
82.28157	2.6
85.02924	2.7
90.42880	2.6
92.19318	3.3
113.02460	5.0
128.03587	3.7
134.03703	23.5
135.04512	82.9
148.05264	2.7
149.06053	14.7
198.21928	2.7
241.22618	2.9
248.96773	2.7
250.08740	13.6
278.08295	27.9
304.16425	3.1
306.18179	15.1
306.88760	2.9
315.27423	2.8
475.42059	3.0
599.28571	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	599.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21100	5.1
59.01377	100.0
70.58146	4.1
71.01381	58.5
72.22209	4.4
72.29415	5.3
72.81371	4.2
73.02943	25.5
78.43199	4.5
83.01372	8.5
85.02938	24.3
87.00854	5.7
89.02425	30.7
96.96013	16.8
99.00871	6.7
99.29663	4.1
101.02431	47.3
113.02431	45.4
119.03439	5.4
123.00839	5.1
136.07289	4.5
143.03532	5.6
161.04514	24.8
164.46468	4.8
165.05537	5.9
179.05566	21.1
213.40726	6.0
221.06685	20.0
227.82700	5.1
263.07663	8.5
344.12531	5.1
359.15009	5.5
371.15030	5.1
403.53412	4.9
409.11688	4.7
555.28003	9.9
557.26044	25.6
590.06323	5.1
599.27234	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
59.01378	61.5
59.75496	1.9
71.01372	40.8
73.02934	17.5
83.01379	13.7
85.02923	20.8
85.03368	2.1
89.02429	14.0
95.01364	3.0
96.05576	1.9
96.27713	2.2
97.02952	11.4
98.21243	2.0
99.00862	3.9
101.02431	36.7
113.02436	29.4
119.03529	2.4
121.32552	2.9
137.45953	2.1
143.03569	2.6
161.04541	17.8
165.05473	2.6
183.08051	2.6
191.78720	2.8
198.09233	2.5
223.06407	2.2
225.07596	4.0
226.07887	3.2
226.12321	4.7
233.15485	10.4
240.14099	2.4
241.13445	4.1
255.15019	3.0
256.15784	23.6
271.18094	17.7
315.17169	15.1
413.09940	2.2
437.16916	2.7
437.22070	4.0
450.91000	2.0
522.83130	2.2
557.26105	16.7
584.33954	2.8
599.26971	100.0
599.36163	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	599.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47883	1.5
55.01884	1.8
59.01380	68.4
71.01376	39.0
73.02930	13.7
83.01370	7.2
85.02943	25.7
87.00875	2.4
89.02422	20.6
95.01407	2.9
97.02895	3.4
99.00863	3.5
101.02428	41.9
102.89014	1.9
104.23619	1.9
113.02423	30.5
121.06551	3.1
125.02422	9.0
134.54323	1.7
143.03526	4.2
159.02985	3.4
161.04533	14.3
225.04156	1.8
233.15442	12.4
275.10532	2.1
351.21768	8.3
395.20700	7.8
437.21774	3.7
557.25787	15.9
599.27203	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	599.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05483	1.2
52.02425	1.1
54.22908	1.1
57.51384	1.1
59.01372	16.8
65.34132	1.4
78.16290	1.6
92.19309	1.7
109.58645	1.2
117.18971	1.5
123.08147	19.4
125.09702	18.8
129.13998	1.2
133.06570	1.4
141.09254	1.4
150.03221	5.1
151.07642	23.9
163.14658	1.5
165.05551	23.4
169.08690	14.4
195.06577	11.9
213.07684	100.0
329.14066	2.3
377.16013	14.1
614.93140	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	599.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
59.01376	40.9
69.95646	0.9
71.01370	22.9
73.02929	7.0
79.38748	0.9
85.02940	8.2
87.00851	5.0
87.62965	1.0
89.02427	19.6
95.01359	2.2
97.02885	1.2
99.00864	2.2
101.02431	20.6
113.02426	14.8
119.03513	2.1
125.02439	1.3
131.03535	1.2
143.10757	1.2
149.02414	2.0
150.03236	8.2
151.00381	5.1
151.03975	7.7
159.02991	2.0
161.04523	7.2
162.03226	5.5
164.04768	14.2
165.05554	28.8
166.01360	2.3
166.02696	53.2
177.05562	6.8
179.05771	1.4
179.07178	11.5
180.04274	2.3
181.05058	100.0
195.06648	7.8
208.03751	2.4
218.59550	1.0
222.03854	1.1
223.06108	6.7
290.02945	1.4
305.16315	1.2
437.14435	11.5
437.20242	17.5
553.12079	1.2
589.53455	1.2
599.19788	58.6
599.26788	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	599.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.1
59.01370	47.3
68.20132	2.5
71.01374	54.8
73.02931	16.7
83.01379	5.0
85.02932	24.7
86.79077	2.4
87.00857	3.1
89.02431	39.4
93.08709	2.6
95.01291	2.7
96.95964	6.0
101.02426	49.0
111.00804	3.1
113.02424	27.5
115.21234	2.3
118.96650	2.4
119.03455	11.3
125.02400	3.9
136.13353	2.4
143.03589	3.6
161.04558	20.6
162.11392	2.8
179.05647	3.3
179.07188	3.2
273.45059	2.6
305.16217	4.0
407.74594	2.7
437.20236	15.2
599.25635	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	599.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
129.70853	23.2
152.88593	19.3
166.00111	18.8
196.67429	20.6
266.10602	86.4
284.11856	30.7
372.13510	27.5
599.25470	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	599.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22926	1.2
59.01377	100.0
69.20103	1.3
71.01376	14.9
73.02934	38.5
83.01358	6.0
85.02938	1.5
89.02439	13.2
96.96013	7.2
97.58035	1.4
98.81122	1.4
101.02429	34.2
113.02453	15.0
119.03478	8.1
123.04486	9.2
124.04868	1.7
135.04491	9.0
146.08217	2.4
149.04489	2.6
161.04581	15.8
165.05562	3.6
179.03351	2.3
195.03058	3.0
195.04962	1.4
197.87437	1.6
221.06609	11.9
227.11795	1.4
249.12444	50.3
255.05038	9.3
256.05435	5.8
257.05579	2.7
261.80283	1.5
305.12375	24.7
341.08841	2.5
355.09528	1.6
372.88171	1.6
398.01511	1.4
586.37274	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	599.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64970	1.0
54.72864	1.0
56.06758	0.9
59.01377	51.9
73.27014	1.1
88.38421	1.1
92.19965	1.7
96.96035	1.5
107.05008	5.8
109.36490	1.2
123.04533	2.2
133.02933	1.7
134.03732	38.1
135.04506	75.5
152.32831	1.1
165.05574	26.2
193.08667	6.4
195.06422	1.4
196.07343	2.3
211.09790	5.2
245.24814	1.4
262.64423	1.1
282.08920	2.5
297.11227	6.2
329.13928	79.6
377.16064	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	599.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	70.3
71.01384	10.1
73.02927	3.0
89.02439	2.2
92.19902	1.9
96.95990	7.7
101.02430	8.7
113.02466	3.7
123.08170	3.8
125.09695	4.0
128.05035	1.7
137.56204	2.0
149.02429	15.3
150.03210	3.6
151.07617	9.6
161.04539	2.8
164.04764	19.1
164.05872	1.5
165.05542	27.7
169.08702	3.7
177.89178	1.9
181.08765	1.7
183.06635	11.6
190.45758	1.9
192.02913	1.7
195.06670	10.1
196.60110	1.8
212.64072	2.1
213.07695	36.0
217.34137	1.9
314.11618	49.2
329.13940	90.7
341.12408	15.8
377.16055	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	599.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.8
68.99825	1.1
77.44847	0.7
78.95898	3.9
79.78471	0.7
81.03516	0.8
81.85283	0.7
89.91273	0.7
96.95994	100.0
96.96895	7.3
108.02100	1.3
123.00864	1.8
123.04510	4.2
138.03188	1.1
150.03169	4.1
151.03876	0.9
161.02426	1.8
162.03175	1.1
163.03946	3.7
165.05489	1.4
177.05553	12.2
178.02730	9.3
179.03477	1.6
181.05066	0.9
193.05074	14.3
194.05748	1.6
209.08165	1.0
239.03865	0.9
303.45493	1.1
327.06104	0.8
342.11206	0.9
373.46786	0.8
483.88428	0.9
501.24991	4.8
501.46609	0.9
581.20514	13.4
588.30133	0.9
599.21399	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	599.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64482	1.1
59.01379	43.9
64.47102	1.1
65.02689	1.2
65.13500	1.1
72.99318	2.8
80.87520	1.4
92.19349	2.7
108.00610	1.4
149.02446	1.7
150.03209	21.5
164.04802	7.9
165.05545	100.0
165.06950	3.2
180.04236	6.5
195.06609	35.2
213.07611	1.3
223.06134	1.3
314.11551	7.9
317.32211	1.3
329.13962	25.0
349.37900	1.3
377.16049	87.3
405.89334	1.4
466.04117	1.5
599.19806	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	599.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07317	1.4
58.97217	1.3
59.01378	28.9
62.26478	1.4
67.73605	1.5
71.01360	2.4
72.73668	1.4
75.59109	1.5
87.92506	1.4
88.44821	1.6
89.02419	2.5
96.95968	1.9
100.91384	1.4
101.02459	1.9
115.84049	1.8
119.11059	1.6
149.02425	2.4
150.03252	11.5
151.00328	2.5
151.03990	8.1
164.04778	15.3
165.05547	43.6
166.02681	65.0
179.07132	14.6
180.04251	2.7
181.05063	100.0
195.06682	13.7
223.05983	6.6
351.36118	1.6
365.85294	1.5
427.10843	1.6
437.14441	39.6
599.19714	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42248	1.2
59.01373	15.5
71.01357	3.4
72.99293	32.0
79.10999	1.3
81.77031	1.4
84.26295	1.3
85.02934	2.7
89.02405	2.8
92.19435	1.7
101.02396	5.6
111.27641	1.4
123.04469	5.5
149.02332	6.1
150.03181	14.1
151.02847	1.7
151.03996	45.2
163.03935	2.3
164.04800	13.1
165.05559	43.1
166.02672	25.8
177.05501	5.7
179.07120	11.2
180.04221	8.6
181.05060	43.9
194.21774	1.4
195.06573	15.6
208.03683	9.4
222.05344	10.3
223.06114	25.3
231.58635	1.7
241.04915	1.8
241.07149	29.9
271.88339	1.4
359.13760	1.6
371.11218	3.4
389.12320	6.5
437.14511	22.2
495.24127	2.1
599.19543	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	599.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.4
60.58374	3.2
67.29848	4.2
71.71870	4.0
82.02976	5.5
84.04527	60.9
85.02925	7.2
89.56989	3.8
92.17105	4.2
100.04033	36.5
115.56667	4.1
119.77405	3.8
128.03537	44.6
156.08170	5.2
160.07674	4.8
170.72006	4.5
172.07632	17.6
182.71240	4.5
200.07140	16.9
202.05164	35.1
204.10336	9.3
232.09769	84.7
250.08542	5.2
250.10866	77.5
259.40576	4.0
262.07315	38.8
292.11908	100.0
318.50491	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	598.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47967	9.5
66.75302	8.7
75.39137	11.3
78.31675	11.1
82.95420	17.0
84.00895	100.0
87.25970	9.6
88.29047	10.1
257.49414	11.8
264.89215	12.1
277.21735	54.7
306.76184	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	599.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26589	5.4
56.66018	4.7
73.07775	5.2
297.07626	10.0
312.09845	7.8
327.12445	6.5
337.07068	38.2
352.09641	11.4
353.06564	25.3
356.09137	8.6
368.08936	8.5
371.11371	47.3
383.11411	100.0
401.12378	28.2
563.17340	9.5
575.42188	6.4
599.15509	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	599.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02828	0.7
50.69632	0.7
51.26401	0.7
59.01380	9.3
71.01382	5.7
75.00892	0.8
85.02929	1.4
87.00858	6.1
89.02441	3.7
93.03440	21.1
101.02427	6.4
109.06551	1.1
113.02428	4.4
119.03490	1.4
127.07637	21.5
137.02431	100.0
142.44652	0.9
143.03435	1.0
143.07130	4.3
161.04625	1.1
166.05824	0.8
171.06656	3.0
189.07709	14.7
231.08693	3.6
239.34029	1.1
243.06621	3.7
257.08200	1.2
258.08923	6.7
291.10748	0.9
299.07733	26.4
362.13968	1.2
377.16058	15.6
513.18286	1.9
555.19312	39.4
555.27924	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	598.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75846	2.0
54.77812	1.8
62.17939	2.2
78.84188	2.0
82.95407	10.1
83.02509	4.1
84.00895	89.1
85.33349	2.1
92.71473	2.2
99.92548	2.3
116.92023	4.7
116.92840	100.0
117.27695	2.1
123.93803	2.2
125.49226	2.2
159.39821	2.2
164.33641	2.4
277.21710	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20745	0.6
61.98829	100.0
65.58235	0.8
67.56356	0.7
72.77427	0.7
78.46468	0.7
85.05387	0.8
96.95988	1.6
171.41527	0.7
180.48489	0.9
228.28400	0.9
535.18097	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	598.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06996	0.4
51.54369	0.4
56.62302	0.5
61.98830	100.0
65.60079	0.5
66.30698	0.4
92.20017	0.6
260.00137	0.6
267.38617	0.5
353.17880	0.6
355.92508	0.6
545.52594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72544	1.2
58.02961	2.6
64.02220	1.3
74.02463	17.0
76.40437	1.4
86.02464	8.9
92.19335	2.1
99.05621	13.4
101.07137	1.6
128.03526	57.1
135.04517	33.5
135.05527	3.1
139.99316	2.3
141.06673	2.5
143.04613	100.0
145.06152	4.4
146.04582	7.7
153.00122	2.0
153.06644	2.3
166.09862	5.6
167.04630	2.6
167.08330	1.4
179.04623	20.0
181.06183	2.1
185.05688	2.7
210.08817	22.2
249.12421	1.8
254.07742	9.0
266.08606	1.5
272.08896	63.9
274.11993	2.1
283.11234	41.8
308.10764	44.6
325.13403	83.0
434.32178	1.5
598.23059	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21962	1.3
58.02973	4.0
61.23874	1.6
69.46777	2.0
74.02462	20.4
78.01556	1.7
86.02463	10.6
93.31689	1.7
99.05614	26.3
111.36584	1.7
116.01696	2.2
123.46065	1.8
125.03537	1.9
126.01890	2.0
127.05141	2.1
128.03523	61.7
135.05576	2.8
141.06665	2.2
143.04605	100.0
145.06160	2.0
146.04584	3.1
153.06667	9.4
160.00737	23.0
166.09874	2.8
167.04594	6.7
167.08257	4.2
177.03362	4.3
179.04617	21.8
185.05609	2.7
192.07898	3.4
210.08881	21.7
219.25562	1.8
254.07874	12.8
272.08868	19.4
288.06616	1.9
306.07693	71.0
309.99521	1.8
378.78632	1.9
452.96942	1.5
580.27557	2.1
598.28082	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.4
59.01378	67.7
65.02480	1.8
71.01371	34.4
73.02939	17.1
76.06927	1.9
77.93421	1.9
82.37724	1.9
83.01375	5.2
85.02950	21.4
89.02415	2.9
89.35197	2.3
90.94168	2.4
97.14397	2.1
99.00842	4.2
100.98900	2.1
101.02425	34.7
107.48679	2.2
113.02426	22.3
113.94485	2.2
161.04622	3.5
185.04663	2.2
222.50621	2.1
449.25436	3.3
449.32254	2.7
467.25970	7.6
467.95636	2.3
509.27579	100.0
553.26605	40.5
597.25696	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	597.3054
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
52.78476	6.0
57.65759	5.7
58.77549	5.9
78.95902	15.6
86.96758	7.7
102.03022	6.7
141.55940	6.7
145.11819	6.9
152.99579	76.8
221.22450	6.5
241.01102	13.4
281.24927	97.2
597.30389	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	597.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
59.18181	1.3
66.65578	1.5
71.01366	1.9
78.17089	1.4
80.93344	1.8
81.07363	1.6
85.02920	1.7
92.76890	1.4
101.02416	1.8
105.05115	1.4
137.02425	2.6
151.00273	3.4
152.04787	3.2
166.02708	40.1
167.03520	2.5
181.05060	100.0
288.99985	1.6
327.08749	15.3
342.11087	38.9
357.09149	4.9
357.13416	31.5
386.09863	1.6
387.10764	31.3
402.13239	10.8
405.15576	39.9
417.10416	2.7
417.15555	49.3
435.16605	25.3
461.62448	2.0
540.42859	1.8
597.16620	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	597.2199
Annotation	Foliachinenoside C
Peak:m/z	Relative Intensity
53.08381	3.0
59.01370	22.0
65.37691	3.1
69.06963	3.1
71.01365	14.3
73.02927	4.9
77.45885	3.2
85.80103	3.0
89.02431	14.1
91.05475	4.4
96.95977	4.7
101.02430	6.8
113.02427	6.5
138.03175	4.9
139.00340	6.0
145.84140	3.4
151.03973	5.8
165.01949	3.6
166.02669	3.9
167.03389	4.4
169.45557	3.5
177.05362	3.6
180.04236	4.2
181.05038	16.6
193.05005	17.5
195.06570	6.3
209.08038	4.0
223.06116	18.2
253.19087	5.8
282.08841	12.2
287.84821	3.6
295.21487	5.2
297.11346	46.0
357.09647	5.7
361.22348	4.5
375.10666	18.1
375.14600	15.0
389.12320	3.8
390.13208	70.2
405.15594	94.2
435.16824	35.9
468.26535	3.7
553.21387	7.4
567.20697	26.7
597.21942	100.0
597.30420	16.4
597.39850	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	597.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97569	2.0
96.95979	7.5
123.04504	3.1
124.01700	2.9
130.88455	1.9
139.03963	3.8
165.05531	8.7
167.03474	11.7
167.19978	1.9
187.26030	2.0
189.03984	2.8
189.05560	51.3
195.02895	2.1
234.28688	2.2
255.05148	14.3
262.58118	2.1
309.28934	2.1
327.08752	18.4
339.08740	8.2
341.10324	35.7
342.11105	3.4
343.10388	3.2
354.11118	2.8
357.09775	17.2
372.12198	48.2
387.14532	100.0
411.90146	2.0
417.15509	9.6
440.49075	2.1
458.70810	2.5
501.06973	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	597.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64627	1.2
52.25418	1.2
54.91563	1.2
85.82003	1.4
86.84171	1.7
109.16109	1.4
139.04013	2.4
151.00356	1.8
158.28418	1.3
166.02724	22.5
175.03923	2.2
181.05055	50.0
190.06303	3.2
193.05138	2.0
194.05704	1.9
205.08585	3.1
207.06624	2.8
222.08900	1.8
312.06375	8.3
327.08719	43.9
328.23648	1.5
342.11078	100.0
357.09055	2.9
357.13464	91.0
375.14459	6.3
385.86185	1.5
402.13467	1.8
405.15552	61.0
417.15427	6.4
424.54019	1.7
428.80740	1.8
435.16632	59.0
597.18683	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	597.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97569	2.0
96.95979	7.5
123.04504	3.1
124.01700	2.9
130.88455	1.9
139.03963	3.8
165.05531	8.7
167.03474	11.7
167.19978	1.9
187.26030	2.0
189.03984	2.8
189.05560	51.3
195.02895	2.1
234.28688	2.2
255.05148	14.3
262.58118	2.1
309.28934	2.1
327.08752	18.4
339.08740	8.2
341.10324	35.7
342.11105	3.4
343.10388	3.2
354.11118	2.8
357.09775	17.2
372.12198	48.2
387.14532	100.0
411.90146	2.0
417.15509	9.6
440.49075	2.1
458.70810	2.5
501.06973	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	597.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11612	1.8
52.21915	1.6
59.01371	10.6
67.55235	1.9
75.65871	2.0
96.96014	3.2
101.02433	3.0
132.77940	2.0
137.02399	8.7
139.03937	3.0
151.00369	2.4
152.04819	3.0
163.03847	2.3
166.02696	51.3
175.04005	2.8
176.98643	2.2
181.05052	86.6
190.06435	2.5
193.05063	3.0
197.81187	2.1
205.08687	3.0
208.07422	2.1
209.04286	2.3
212.94858	2.1
270.41699	2.2
300.13516	2.0
312.06277	9.8
327.08774	58.7
342.11096	100.0
345.13461	2.8
357.13446	95.6
387.10629	17.1
402.12985	2.5
405.15558	95.1
417.15494	25.7
435.16641	48.9
523.74280	2.6
553.25171	2.3
597.24445	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	597.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50126	1.2
51.77303	1.5
58.10369	1.1
58.64915	1.2
59.01376	6.4
59.30663	1.3
71.21397	1.5
92.19339	2.7
96.95985	1.9
101.02429	2.2
113.02458	1.7
115.18710	1.6
130.12209	1.6
151.03981	1.9
153.05542	2.4
161.02477	2.8
164.99194	1.5
270.68320	1.5
286.08835	1.5
299.09283	15.1
313.10834	37.1
314.11511	16.4
325.10779	3.0
326.11432	2.8
328.09515	1.8
329.13812	2.6
341.10303	8.0
343.08099	2.1
343.44901	1.8
355.08179	12.6
358.10626	34.2
359.15213	1.8
370.10608	22.7
373.12943	100.0
385.12991	17.5
403.14120	18.1
435.16711	6.0
529.23651	1.7
535.18262	12.5
597.21753	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	597.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.2
61.98835	34.3
68.99808	10.2
71.01369	4.2
73.02947	3.4
75.18613	2.4
92.19312	3.2
96.96006	22.2
101.02400	4.9
114.81425	3.2
117.98219	2.9
120.80890	2.5
138.03163	5.1
152.01231	3.0
153.01897	4.4
153.05559	23.8
167.03497	10.1
168.04114	4.0
176.01128	11.3
178.02704	4.6
180.04375	3.9
191.03526	34.8
192.04306	5.3
193.01398	6.2
193.05051	13.0
194.05833	3.7
207.06610	45.4
208.03731	24.2
208.77687	2.8
211.09683	3.5
223.06128	45.2
451.65979	3.5
553.25043	3.1
567.20331	3.8
597.21765	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	597.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	15.4
73.02939	11.2
82.20071	1.3
113.02322	2.0
149.06015	1.8
165.05548	20.7
166.06335	21.7
181.05084	2.4
181.08717	3.0
186.59009	2.0
208.03726	1.8
209.04451	7.3
224.06885	41.0
225.07663	100.0
235.58363	2.0
239.09210	59.3
249.07645	2.2
283.57504	1.8
435.16574	54.4
553.26416	2.2
597.13226	2.6
597.22003	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.3
71.01384	2.6
72.99346	1.6
73.02965	1.5
85.21605	1.5
89.02415	6.2
89.52597	1.3
101.02440	2.2
105.25488	1.6
110.33120	1.5
113.02447	1.4
138.33296	1.6
151.00273	1.9
151.04027	3.4
166.02702	24.8
167.03432	1.5
175.03915	1.9
179.05482	1.9
181.05045	51.7
190.06346	3.4
193.05078	2.3
195.06660	2.4
205.08704	3.4
208.07390	2.6
312.06351	5.8
327.08749	49.1
327.12283	2.6
342.11066	100.0
357.09070	2.9
357.13461	80.8
375.14606	2.9
381.48163	1.6
387.10608	3.1
405.15543	72.7
417.15521	8.9
435.16705	33.6
494.24277	1.4
537.19757	2.8
597.18616	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	597.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86696	1.9
55.01895	2.0
57.37274	1.9
57.58973	1.9
59.01085	3.6
59.01383	100.0
71.01376	35.7
73.02940	23.1
74.83118	2.1
75.10526	1.7
79.56031	1.8
82.42364	2.2
83.01385	5.2
85.02945	22.4
87.00848	4.4
88.93132	2.2
89.02433	10.8
92.19932	2.9
95.01367	3.2
95.79303	2.2
99.00846	9.4
101.02438	47.6
113.02427	26.1
125.02438	4.8
143.03500	2.6
149.48201	2.1
159.03001	2.8
161.04524	16.0
218.71912	2.6
263.14984	18.9
407.19232	10.5
425.20215	9.3
449.20267	15.0
467.21353	64.4
509.22406	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40844	1.7
77.53526	1.8
81.93172	1.9
84.06873	1.8
87.00857	15.4
87.35040	2.0
89.02418	2.2
96.95987	12.9
104.41571	2.0
109.35915	2.0
123.04512	46.2
149.06046	7.6
152.01135	10.0
165.05493	15.2
167.03479	71.7
179.03325	3.3
183.25380	2.1
193.05040	15.3
195.03001	20.9
206.42293	1.9
237.04137	2.1
255.05098	100.0
514.99329	2.1
597.24036	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67427	2.1
59.01364	10.3
59.74660	2.2
62.10715	2.2
72.99281	2.6
75.00855	4.1
75.57673	2.5
81.03460	2.4
93.03445	3.0
97.02924	3.8
104.15055	2.5
123.04512	12.0
125.02415	10.9
127.22455	2.2
135.04472	3.6
137.02412	3.0
139.04051	7.7
145.02982	3.5
163.03995	3.2
165.05547	12.9
167.03464	44.9
179.03455	4.7
179.07062	2.8
189.05582	5.4
197.04535	13.2
209.04526	61.5
221.04497	4.8
229.08536	2.7
231.92754	2.3
235.23193	2.3
239.05592	30.0
251.05688	9.8
263.05627	3.8
273.07642	9.2
293.06778	3.4
315.08728	33.4
327.08609	16.6
345.09814	10.7
346.08087	2.4
357.09760	100.0
369.09698	9.7
387.10803	55.3
417.12009	14.7
434.57990	2.4
452.56287	2.9
459.13177	4.8
477.13977	45.8
507.15091	2.7
552.90656	2.4
597.18176	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87022	0.7
53.27574	0.7
87.00862	15.7
123.04503	53.4
135.14212	1.1
145.52467	1.0
149.06027	12.6
165.05562	18.2
167.03461	1.9
175.04002	1.1
193.05070	17.0
195.02980	28.3
219.03008	2.2
237.04079	1.8
249.19467	0.9
255.05093	100.0
392.07831	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	597.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.0
59.01365	3.2
81.58313	0.8
87.00854	13.1
96.95978	4.3
110.10201	1.0
113.02392	1.2
115.00334	1.3
123.04496	59.7
138.03214	1.1
149.06068	11.7
158.89984	1.0
161.02452	2.1
165.05556	19.0
167.03439	3.8
175.03777	0.9
179.03447	1.2
182.02173	1.7
193.05055	20.1
195.02974	26.7
197.04660	6.3
219.02998	1.7
232.13737	0.9
255.05095	100.0
359.09775	4.6
582.13995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22025	0.7
59.01382	0.9
80.70335	0.9
87.00855	10.8
96.96013	2.0
110.77377	0.9
123.04508	50.8
124.01627	1.7
124.49708	0.8
133.75375	0.8
135.04483	1.4
139.03996	5.9
149.06085	12.6
165.05577	17.3
167.03470	9.3
175.04048	0.9
179.03505	1.8
193.05040	14.2
195.02992	23.2
219.02808	1.2
237.03940	1.5
255.05106	100.0
313.34500	0.9
341.08826	1.0
343.10037	1.0
469.83917	0.9
597.14105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.1
59.32193	1.2
61.98830	100.0
71.01364	3.0
81.07536	1.2
85.02897	1.7
89.02446	2.3
101.02447	3.2
113.02451	2.1
119.03510	1.6
137.02400	2.5
138.02802	1.3
161.04549	1.7
167.03484	1.6
179.25150	1.6
314.07935	1.5
357.89590	2.2
369.13336	1.3
552.23999	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	596.3459
Annotation	Zizyphine F
Peak:m/z	Relative Intensity
90.64088	1.9
93.03439	2.4
113.07179	11.4
126.15903	2.0
133.05296	9.0
134.06111	33.9
137.62003	1.9
140.07137	3.7
145.53448	1.8
153.06743	2.6
160.03987	7.9
164.07098	2.5
181.09822	2.6
223.14484	10.4
225.16138	2.0
228.10384	2.8
245.12906	4.5
247.14508	67.0
273.12555	2.7
342.14594	48.9
358.21265	8.3
385.19894	9.8
386.20901	3.0
455.26834	15.2
596.24945	3.3
596.34552	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	595.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.6
59.01127	1.5
59.01378	31.1
71.01376	25.5
72.99297	2.7
73.02933	9.5
75.00859	22.3
77.84821	1.3
83.01379	4.6
85.02933	27.9
87.00856	6.0
87.70200	1.1
89.02422	10.9
95.01357	2.3
96.95988	6.7
99.00883	10.2
101.02412	14.1
102.98581	1.6
111.00911	1.2
112.87426	1.3
113.02427	35.6
115.00320	2.4
117.01864	1.6
119.03484	1.9
124.93040	1.1
125.02391	1.9
161.04541	2.1
173.39018	1.5
179.07063	1.8
181.04944	1.4
192.53023	1.1
196.07414	6.3
211.09758	2.9
219.05898	1.1
223.06056	7.7
238.08479	5.4
253.10918	2.7
373.22961	1.7
535.21912	1.7
551.23676	4.0
551.31824	9.3
595.29712	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	595.289
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
72.73959	0.8
73.09731	0.8
78.95894	31.0
79.02944	0.9
96.96942	5.9
121.93342	1.0
143.66168	1.0
152.99567	69.9
171.00662	1.5
181.92308	1.2
207.76146	0.9
223.00081	9.4
230.58513	1.0
241.01187	22.9
245.91547	1.0
279.23294	88.7
315.04819	4.6
379.76154	0.9
595.28961	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	595.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	36.1
59.26488	1.5
71.01373	35.0
73.02925	13.7
82.69349	1.8
83.01369	4.1
85.02950	20.8
87.00865	1.9
89.02445	13.3
93.57235	1.6
94.75690	1.7
95.01331	1.9
99.00866	4.3
101.02427	47.3
113.02416	18.0
119.03481	3.1
125.29185	1.8
131.03511	1.6
145.36288	1.8
151.32666	2.2
241.25757	1.8
315.88980	1.7
318.35361	1.9
347.87213	1.8
348.21140	1.8
595.29767	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	595.2797
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
52.43888	1.0
55.80170	1.0
56.95428	0.9
59.01368	2.2
67.67568	1.0
71.01353	4.5
72.24968	1.0
73.02925	1.0
74.22015	1.0
76.87785	1.0
78.98587	2.4
79.95737	6.2
80.96020	1.6
80.96500	45.9
80.96950	2.2
82.96098	1.1
85.02931	2.2
87.00863	2.6
94.98074	12.8
97.02908	2.1
106.98058	4.0
113.02418	1.3
114.09158	1.1
119.50361	1.0
122.97562	4.2
125.02421	4.8
134.97539	5.8
148.99110	4.8
152.98579	8.9
164.98587	18.2
169.03777	1.1
202.80342	1.0
206.99683	5.0
225.00728	32.0
263.19485	1.0
278.10605	1.1
279.03055	1.2
295.22766	2.1
299.04367	7.0
480.56247	1.1
551.26947	1.3
595.27960	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	595.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63886	1.7
59.01379	72.5
59.17865	1.7
62.67551	1.5
71.01375	25.6
73.02934	25.2
75.00852	13.4
76.81264	1.8
83.01366	9.9
85.02950	20.3
85.37401	1.7
86.05553	1.7
87.00860	9.5
89.02428	20.6
89.94687	2.3
96.95996	2.2
99.00853	3.8
101.02422	36.8
103.02888	2.0
113.02429	28.1
115.00268	2.2
129.01878	1.9
131.03459	4.2
143.03439	2.9
161.04504	8.5
169.80237	2.1
179.05547	3.4
181.05035	45.4
193.03479	4.0
196.05644	4.5
196.07405	100.0
211.09772	53.3
221.06560	2.2
223.06297	5.9
238.08418	12.0
253.10832	4.4
303.19830	3.0
535.22083	11.3
551.23651	61.8
551.30939	21.7
595.32800	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	595.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63931	1.3
51.70235	1.1
52.66339	1.2
59.01377	33.4
62.17560	1.3
71.01383	14.2
73.02931	15.4
75.00864	1.6
83.01375	2.7
85.02946	9.4
87.00848	6.4
89.02414	5.7
96.95965	1.9
101.02425	16.5
113.02441	10.6
149.01682	1.4
183.10242	1.7
257.15277	1.6
267.17651	2.3
285.18558	20.1
329.17636	2.7
347.18985	1.9
415.06268	1.6
465.19482	1.6
505.51724	1.6
507.26025	2.0
509.23911	2.7
533.68311	1.6
551.24988	100.0
595.27191	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	595.2401
Annotation	Erythrolide O
Peak:m/z	Relative Intensity
51.42519	1.0
55.01865	1.4
55.14869	0.7
57.03436	1.8
59.01088	2.0
59.01379	42.8
62.91724	0.9
69.03434	1.0
71.01379	18.6
72.99303	1.1
73.02944	9.5
83.01366	7.7
85.02934	17.7
85.72366	0.8
87.00864	1.5
88.80821	0.9
89.02442	2.3
90.89061	0.9
91.32675	0.9
95.01370	3.8
95.53550	0.9
99.00874	3.8
101.02432	26.3
111.00874	1.0
112.01620	5.7
113.02427	13.8
122.03701	2.3
124.80246	1.4
131.23175	0.8
135.04524	2.2
148.05219	1.0
149.06078	1.1
161.04535	1.3
166.06311	19.7
167.07095	3.4
170.30145	0.9
181.08696	76.8
193.76932	0.9
194.05823	6.1
195.06596	4.8
209.08203	6.4
237.11395	1.1
250.08569	1.0
251.09200	2.1
265.10825	4.5
295.11798	1.7
310.10742	8.1
325.12961	48.0
328.11621	1.2
343.14014	32.5
385.14941	7.7
469.57291	1.1
500.27631	1.8
535.21826	34.6
545.33453	1.9
553.22949	17.1
595.24005	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	595.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30857	1.7
57.03448	1.9
59.01378	42.6
69.03449	2.8
71.01366	28.1
72.99287	3.0
73.02933	17.9
75.00860	30.5
80.28783	1.8
83.01363	3.8
84.66644	1.9
85.02936	32.0
87.00862	6.9
89.02427	7.6
89.49308	1.9
95.01392	3.4
97.02921	8.8
99.00854	7.5
101.02426	16.7
103.00331	3.2
113.02423	41.2
115.00370	3.0
131.03479	3.9
149.68608	2.0
173.04518	3.4
193.03514	14.5
232.20067	1.7
235.04538	11.3
239.76408	1.9
272.00226	1.9
328.70465	1.7
379.08670	4.2
397.09937	3.1
401.06531	2.3
551.23492	100.0
551.31592	4.1
595.28180	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	595.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28648	2.2
60.18417	2.2
74.70656	2.3
75.99450	2.4
77.58584	2.1
85.02946	2.7
88.84935	2.0
100.01623	2.9
101.02564	2.2
108.02151	3.9
122.03768	4.1
123.04500	9.5
127.05143	11.7
149.02415	15.7
150.03207	40.0
164.03537	12.8
164.04813	4.8
165.05580	51.9
178.05038	16.3
249.12341	5.7
340.14276	10.6
381.14682	2.7
399.15500	2.8
424.07037	2.7
456.26459	3.4
517.41296	2.7
595.23010	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	595.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75703	3.5
59.01365	7.0
107.05004	23.6
111.25764	3.8
116.08910	4.4
134.03772	7.2
134.66924	4.3
135.04517	100.0
153.41278	4.4
165.05556	25.4
200.71410	4.0
314.77841	4.8
339.08920	43.8
369.13449	47.2
487.17676	20.9
552.46698	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	595.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
76.89755	0.5
82.65131	0.5
149.02380	4.0
163.04002	1.2
164.04785	20.6
179.07149	11.6
188.33188	0.5
193.01443	3.8
208.03770	55.3
223.06116	100.0
242.36331	0.6
265.07117	0.7
398.71051	0.6
433.09177	1.0
433.15060	30.7
595.20398	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	595.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29803	1.2
59.01373	1.6
60.41920	1.2
67.35449	1.5
72.74142	1.3
74.09480	1.3
83.21932	1.4
103.09737	1.4
113.71652	1.5
123.97213	1.3
143.82140	1.4
149.02409	12.0
152.01125	1.4
154.22624	1.6
164.04773	78.6
179.07118	58.3
184.29214	1.6
204.06163	1.6
205.04956	2.0
206.05853	2.8
207.02953	18.0
208.03745	71.6
221.08192	3.3
222.05322	74.3
223.06120	100.0
237.07680	69.0
237.10039	3.0
265.07101	6.0
423.01413	1.7
433.15079	52.9
595.20349	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	595.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00058	2.4
59.01374	40.2
61.93914	2.8
68.99803	6.3
70.03255	3.2
71.01379	22.5
73.02931	6.9
89.02430	24.9
101.02428	18.8
113.02438	14.4
119.03502	3.6
125.09196	2.7
138.03235	10.8
139.03955	3.6
152.01155	20.3
153.01939	5.2
153.05565	39.0
167.03482	27.2
168.04315	5.2
176.01117	13.0
180.04256	6.6
180.07666	2.8
185.11832	2.9
187.56630	2.6
191.03531	31.3
192.04269	16.6
193.01447	14.9
193.05009	14.1
194.05768	3.4
207.06612	64.1
208.03769	35.1
212.39990	3.2
223.06136	61.3
224.06897	3.6
256.89240	2.9
284.32993	2.9
385.12793	4.8
415.13980	4.6
551.23553	32.8
595.20056	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	595.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00480	3.0
58.60070	2.8
59.01390	6.0
70.06757	3.2
71.01375	12.8
71.84549	3.4
75.00864	3.7
85.02970	7.6
85.28729	2.6
89.02415	7.1
96.95996	17.5
101.02422	12.3
109.00562	2.9
113.02412	11.8
116.92826	3.2
123.04517	5.8
149.02348	3.4
150.03201	16.5
157.06128	4.7
165.05534	46.5
178.05106	5.6
192.06622	7.4
195.06700	4.1
229.08641	7.2
248.08051	3.9
263.10486	5.7
291.13370	5.4
313.10843	5.1
317.11496	3.8
475.04462	3.4
595.19855	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	595.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53701	1.6
59.01377	29.0
71.01368	13.5
73.02930	3.5
76.97505	1.6
80.27409	2.0
81.79394	1.8
82.50137	1.7
83.01384	2.9
85.02950	4.3
89.02448	3.9
96.95997	4.9
101.02416	16.7
108.02169	17.1
113.02432	4.2
123.04477	16.0
152.01169	51.8
167.03496	100.0
180.87701	2.5
185.11838	3.2
194.80267	2.0
207.06781	1.9
223.06087	2.5
225.11263	1.9
253.05035	4.3
325.07416	2.1
329.15952	2.6
344.05725	2.0
347.16928	10.3
355.11826	2.9
408.82458	2.1
521.21234	2.3
533.54999	2.3
535.27301	3.6
551.17224	11.8
551.24384	35.3
595.18860	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	595.1674
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.88790	1.0
53.98466	1.3
59.01360	2.0
60.23601	1.4
71.01389	2.1
84.58046	1.3
85.02967	1.5
89.02399	2.9
92.19926	1.7
104.21985	1.4
107.01387	2.0
118.28190	1.4
119.04984	9.5
119.75135	1.4
121.02883	1.6
125.02401	5.7
145.02985	1.6
167.03439	2.1
179.03558	1.8
187.03981	2.0
193.01427	8.7
193.08591	1.4
197.04579	3.1
205.01303	2.4
209.04539	3.3
223.02643	2.2
227.02940	1.6
235.02472	16.7
265.03525	6.6
271.06021	5.9
313.07162	21.0
323.09882	3.2
325.07098	8.7
343.08209	9.1
355.08218	61.3
367.08026	2.5
369.10291	1.5
385.09271	38.4
397.09116	1.9
415.10275	11.1
475.12592	9.9
505.13712	5.3
595.16675	100.0
610.92145	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	595.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51832	0.4
57.73779	0.4
65.46612	0.4
92.19926	0.8
96.06562	0.5
96.96004	3.7
103.92003	0.6
111.00742	0.5
122.03752	3.8
123.04504	36.2
145.02965	0.6
147.04553	0.8
150.03220	2.2
165.05547	100.0
182.28259	0.5
223.50948	0.5
250.60419	0.5
253.03503	8.4
253.10078	0.5
320.97702	0.5
341.10965	0.6
598.96368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47293	0.4
54.43487	0.4
65.70750	0.4
74.92653	0.5
101.94223	0.5
106.41406	0.5
119.08068	0.6
122.03702	3.7
123.04503	38.3
145.02911	4.4
146.03738	0.8
147.04495	7.0
150.03145	1.9
161.02361	0.6
165.05548	100.0
204.72285	0.5
235.02361	0.6
253.03502	19.1
398.62045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20828	0.4
58.75526	0.5
59.01381	5.9
61.95859	0.4
70.59111	0.4
73.19938	0.4
81.38773	0.4
92.19409	0.6
112.16055	0.5
122.03689	2.5
123.04509	37.7
143.55701	0.4
145.02943	4.5
146.03699	0.6
147.04521	5.7
150.03139	1.8
165.05556	100.0
187.40590	0.4
207.08745	2.0
211.02014	0.5
228.89761	0.5
253.03517	21.0
492.06329	0.5
595.15686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.53796	0.6
63.96929	0.6
89.02449	0.8
89.60041	0.7
96.95982	1.4
102.79112	0.8
105.11316	0.7
117.05486	0.8
122.03675	2.8
123.04499	36.5
124.99116	0.6
135.04456	0.9
137.02449	0.8
150.03253	0.8
153.01935	1.2
161.02408	7.4
165.05547	100.0
168.95813	0.7
179.03401	1.4
253.03468	4.5
258.03253	0.7
275.04300	0.7
315.07108	1.2
341.08771	5.7
483.78445	0.7
595.13269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69936	0.6
57.12794	0.7
57.56008	0.6
59.08582	0.7
61.37988	0.6
68.40436	0.6
68.40815	0.6
81.70798	0.8
89.14799	0.6
89.44216	0.7
96.37775	0.7
101.56363	0.7
106.93358	0.7
122.03714	4.5
123.04510	41.5
125.06104	1.0
135.04506	3.8
136.04924	0.8
141.10786	0.7
145.02983	6.0
147.04500	4.8
149.61201	0.8
155.91779	0.8
161.02443	10.5
162.02748	4.6
165.05553	100.0
179.03499	6.8
180.03766	3.2
208.10963	0.7
252.09760	1.2
253.03561	16.3
341.08786	8.4
342.09064	7.3
564.80554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34760	1.8
59.01378	10.4
59.89186	1.7
61.98821	2.1
76.65836	1.8
78.95895	4.1
91.27087	1.8
152.99573	2.5
168.04225	2.5
171.10236	26.3
181.62598	2.5
191.02672	1.8
195.13889	14.6
224.06830	9.3
240.36002	1.9
277.21710	58.3
295.22748	74.9
325.37912	2.1
358.03836	2.0
402.16714	2.1
520.30408	100.0
594.34082	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	595.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31006	0.7
68.96196	0.7
122.03733	4.1
123.04498	35.7
135.04524	1.7
145.02974	4.1
147.04501	6.2
161.02441	12.0
162.02751	3.6
165.05553	100.0
179.03468	7.1
180.03766	0.9
189.51633	0.9
253.03531	16.3
269.69937	0.9
341.08817	8.0
342.09103	5.1
465.05051	0.9
579.41028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06042	6.2
62.86309	6.5
70.79743	5.6
112.02871	7.2
169.81398	6.8
195.13889	47.2
277.21695	28.0
295.22833	100.0
337.45966	6.8
359.04041	6.5
520.30432	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20070	1.1
58.04105	8.9
59.01381	13.1
63.95909	1.1
67.03035	1.7
71.01373	20.1
77.49431	1.1
82.04114	2.0
83.16531	1.1
83.86430	1.2
84.05647	1.6
93.07092	1.7
96.99796	1.4
97.02937	21.2
107.03513	1.1
122.09702	1.6
125.06066	37.0
147.09235	5.1
149.06102	1.9
164.11899	5.6
166.08716	14.3
169.04996	5.2
207.08733	4.7
208.08968	1.8
208.10919	43.8
251.07649	1.6
252.09912	100.0
594.21375	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36433	1.8
61.98828	100.0
67.81463	2.1
69.03812	2.0
81.08380	2.0
90.20011	2.2
119.65139	2.0
119.71840	2.0
121.02934	38.3
129.10316	3.6
196.02411	2.5
201.40395	2.1
223.14519	2.6
223.94806	1.9
224.10309	2.9
381.28772	4.3
403.42877	2.1
409.37317	2.2
503.32434	2.9
531.31525	17.9
539.52173	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	594.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28939	0.8
57.18639	0.7
58.04099	6.3
59.50077	0.7
59.67179	0.8
62.64865	0.8
67.03024	1.3
67.44880	0.8
71.01376	15.2
79.15453	0.8
82.04090	4.2
93.07114	0.9
97.02944	17.5
105.07061	0.9
122.09742	1.5
125.06069	41.5
147.09282	5.2
149.06050	5.0
161.02469	1.6
164.11922	6.8
166.08716	11.3
169.05066	5.9
179.03426	3.2
183.08687	0.9
208.10912	41.1
252.09889	100.0
266.55945	0.9
314.78583	0.9
341.08701	4.2
385.20880	0.9
419.58377	1.0
594.21545	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	594.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49245	1.1
58.04092	5.4
62.44567	1.2
64.11803	1.2
71.01365	9.5
81.57546	1.2
87.00868	2.4
96.95985	9.2
97.02940	6.0
125.06079	17.1
132.53130	1.3
133.02963	3.2
135.04507	23.7
161.02437	100.0
166.08754	2.0
169.04953	2.1
179.03488	55.5
179.05565	5.6
193.02438	1.6
199.37228	1.2
208.10907	17.5
252.09874	43.3
312.35358	1.4
341.08801	91.6
553.17725	1.5
590.63770	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	594.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96503	1.1
59.04524	1.1
59.40827	1.0
62.64448	1.0
69.82796	1.0
70.55840	1.1
76.40971	1.1
97.02982	1.6
107.00681	1.0
111.04466	2.3
115.99654	1.1
125.06105	2.6
133.02956	2.8
135.04504	35.0
149.06041	13.1
155.03548	1.6
161.02428	100.0
161.04492	3.2
179.03494	63.9
179.05580	6.9
181.05026	1.1
193.05095	12.8
194.09380	1.6
217.12390	1.4
238.08316	1.9
242.12366	1.2
243.10226	2.0
250.12518	1.5
252.09903	1.3
256.09338	1.3
258.14911	2.7
263.63556	1.4
300.17294	1.6
341.08786	55.0
388.15701	1.2
404.15521	1.2
414.12704	2.6
520.28857	1.2
594.19446	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78551	0.8
68.60482	0.7
71.99301	0.6
82.82065	0.7
85.06590	1.3
92.19389	1.1
92.40179	0.8
95.05104	0.8
98.92057	0.7
121.56638	0.7
140.36194	0.7
171.10275	1.1
193.08441	3.1
199.13425	1.1
219.09741	0.9
221.11586	10.3
221.18980	0.8
223.20525	1.3
265.18045	1.7
267.19614	8.7
283.19153	1.2
285.20712	100.0
287.16251	1.6
289.17859	9.6
305.17447	8.0
307.18903	7.8
335.15472	0.8
461.65155	0.9
593.40320	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44637	3.5
74.60767	3.2
99.08159	14.2
147.17468	3.3
168.35466	3.8
169.12268	4.3
184.58685	3.3
185.11832	51.8
199.13402	13.0
201.44826	3.9
207.09993	16.2
215.12943	4.2
221.11641	25.6
232.30464	3.6
244.83229	3.2
249.18500	16.9
267.19623	21.3
283.19095	3.8
285.20731	100.0
294.21893	3.5
420.94104	3.8
451.33847	3.7
593.40399	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09795	3.9
57.71283	4.1
59.01374	100.0
71.01366	16.7
73.02935	5.1
77.04929	4.3
84.09711	4.8
85.02945	10.6
87.00853	7.2
99.00847	6.6
101.02420	10.5
103.04497	5.0
113.02383	11.1
161.04462	4.3
223.91647	4.7
239.11746	9.6
240.12224	8.2
305.14273	5.0
345.29984	10.4
489.34378	69.4
507.35294	31.5
549.26801	8.1
549.36523	54.7
593.28406	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	593.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.21208	1.0
62.93180	1.0
79.21327	1.3
133.05394	1.5
134.06108	9.2
171.05685	1.2
187.05069	4.8
200.38760	1.1
231.66411	1.1
247.14536	27.9
257.12994	5.0
392.19846	1.6
474.23767	2.1
519.29749	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58776	1.0
61.97691	1.0
72.00922	2.1
72.71956	1.2
74.02480	1.5
75.31253	1.3
82.06615	1.6
93.03428	4.5
101.03992	1.3
119.05004	10.2
127.08747	1.6
129.10347	11.0
134.06111	6.5
136.07634	3.7
146.06117	7.5
155.08272	24.0
158.06097	1.4
163.04036	8.1
166.07495	2.3
169.09863	2.8
180.06659	43.4
187.10983	4.4
209.07176	2.4
214.12383	6.2
223.14474	5.2
247.14520	2.1
249.16025	5.4
257.13010	9.6
275.14011	6.4
293.15030	5.8
309.19794	18.0
328.80118	1.2
353.18689	12.0
370.45551	1.1
534.26129	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	593.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84058	0.7
52.64487	0.7
57.03437	0.8
59.01375	16.4
65.17217	0.8
71.01368	15.9
72.99277	0.9
73.02945	7.3
75.00882	0.8
83.01385	1.3
85.02934	8.5
87.00840	1.2
89.02405	4.2
94.37407	0.8
96.95995	0.9
99.00866	3.2
101.02425	16.3
105.26597	0.9
113.02426	12.6
119.04958	1.0
127.11227	1.3
136.49690	0.8
136.81351	0.7
143.03479	0.8
149.82086	0.8
159.02864	0.9
161.04518	5.1
169.12250	1.2
171.10245	100.0
172.87175	0.8
187.07759	1.0
190.59207	0.8
195.27156	0.9
214.88394	0.8
218.30461	0.8
289.16602	9.8
314.60184	0.8
421.20795	45.6
549.28802	4.6
593.27588	1.7
593.29724	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	593.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	2.9
59.01376	82.6
71.01379	11.1
73.02927	14.4
85.02930	8.1
89.02417	2.4
101.02430	20.4
101.03031	2.1
101.89289	1.5
111.00879	1.6
113.02412	6.8
113.93324	1.6
139.07611	2.1
179.07100	11.2
269.08170	15.6
341.10190	10.6
371.14941	6.0
428.30057	1.7
443.65530	2.0
533.20758	2.3
549.20721	3.4
549.29169	100.0
563.21124	2.9
593.22406	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	593.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
57.03458	3.8
59.01379	15.2
59.53514	0.4
60.89113	0.5
62.05626	0.4
68.60474	0.4
71.00188	0.4
71.01375	20.4
72.99290	3.6
73.02940	4.8
75.00864	21.6
81.37117	0.5
83.01383	3.1
85.02938	31.4
87.00861	7.8
87.04504	0.9
89.02418	5.0
95.01375	4.9
99.00864	11.5
101.02429	9.5
103.00381	0.9
111.00859	7.1
112.01608	0.5
113.02431	38.5
115.00379	3.1
117.01886	1.8
117.04247	0.4
119.03482	0.7
129.01959	3.6
131.03471	0.5
141.01999	0.6
144.77895	0.5
157.01416	0.8
159.02983	0.7
161.04485	0.4
175.02446	2.2
178.04358	0.4
428.91397	0.5
445.47827	0.5
549.21484	0.7
549.29407	3.2
555.82043	0.5
562.90564	0.5
593.28180	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	593.264
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.08744	0.8
61.17291	0.9
63.38732	0.8
71.01360	5.1
73.02901	1.7
78.98577	3.8
79.95284	1.4
79.95731	29.4
80.96510	49.7
85.02958	1.9
87.00848	1.8
88.02830	0.8
94.98071	16.7
97.02952	1.7
99.08119	1.2
101.02439	1.9
106.98081	3.6
122.97541	4.2
125.02342	3.4
134.97557	6.7
136.99118	1.0
148.99136	6.5
152.98621	11.0
162.79762	1.0
164.98575	17.7
178.79131	1.0
193.12404	1.0
206.99640	5.0
225.00725	25.7
233.86511	1.0
241.00266	3.8
299.04474	4.9
315.03992	1.7
344.36594	1.1
369.14764	1.3
371.06619	13.5
385.08212	1.4
413.11072	1.9
494.18164	1.1
593.26428	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30069	0.7
59.01384	0.8
66.83175	0.9
71.94361	0.9
78.95887	36.4
80.42566	1.1
86.21817	0.9
96.96947	8.5
152.99562	89.1
171.00610	2.1
223.00085	14.1
232.69096	1.0
241.01180	30.5
259.02161	1.0
275.20145	1.3
277.21698	83.6
284.16058	1.0
315.04901	6.6
380.86713	0.9
381.69507	1.2
593.27325	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	593.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79121	0.8
57.03447	1.4
59.01377	10.6
63.97951	0.8
71.01377	19.7
72.99292	2.2
73.02941	1.8
73.51614	1.0
75.00866	17.5
85.02941	24.2
87.00868	5.8
89.02427	6.0
95.01363	1.7
96.96001	1.8
99.00865	7.1
101.02436	10.6
113.02428	31.9
115.00384	1.2
117.01920	1.7
123.08868	1.0
129.01912	1.2
145.05132	0.9
157.01314	0.9
161.04527	1.4
173.04520	1.5
189.12878	1.1
219.13933	1.9
404.09204	1.2
471.15366	1.1
593.24524	100.0
606.57501	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44633	0.8
52.06509	0.7
53.00689	0.7
54.44142	0.8
55.61535	0.8
57.03445	9.7
57.22607	0.9
59.01091	1.5
59.01376	38.2
62.78095	0.8
66.10654	0.7
71.00979	1.5
71.01369	35.9
73.02931	12.5
75.00851	5.5
83.01370	2.2
85.02939	17.0
87.00873	6.8
89.02419	21.8
91.42236	0.9
95.01350	2.1
99.00857	4.0
101.01797	1.8
101.02426	34.0
104.81892	0.8
107.19520	0.9
113.01682	1.0
113.02432	25.9
117.37305	0.9
119.03456	8.0
121.04948	0.9
125.02463	1.5
131.03476	14.7
134.03717	3.5
143.03418	2.1
143.04489	0.9
147.11853	2.8
149.06078	1.8
159.02953	4.8
161.04535	18.9
166.65804	0.9
172.89456	0.9
179.05670	0.9
193.04994	5.1
221.06654	10.3
229.41672	0.9
316.49472	1.0
549.21893	16.9
593.24500	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	593.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.4
64.94228	1.6
71.01364	8.1
73.02927	4.0
85.02928	7.3
87.00858	3.4
88.71904	1.6
89.02418	2.9
98.41940	1.6
101.02424	7.5
105.53071	1.5
112.42867	1.4
113.02448	2.9
119.58546	1.5
138.09187	1.8
149.35518	1.8
169.12305	1.6
215.08264	3.6
233.09299	2.4
241.09872	10.0
285.14972	2.7
299.16470	3.9
301.18079	100.0
374.44867	1.7
385.07074	15.0
431.11441	9.7
445.22156	2.0
463.23074	2.1
549.23242	47.8
549.30927	2.7
593.16376	13.9
593.29120	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	593.2244
Annotation	Pseudolaric acid B O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.51634	1.8
59.01378	81.8
71.01379	30.4
73.02940	66.9
80.73447	1.7
82.11248	1.9
83.01379	11.0
85.02929	8.5
89.02433	10.8
101.02424	50.1
101.97086	1.8
113.02445	20.0
119.03482	4.4
125.02464	2.1
125.26714	2.4
131.03453	2.9
143.03514	2.1
148.17807	2.1
149.04599	2.6
161.04547	9.6
164.04774	9.9
165.35408	2.1
179.05548	3.5
179.07132	100.0
202.34451	2.1
207.53003	2.0
213.51012	1.8
221.06577	4.6
311.09229	2.5
353.10309	4.2
389.16092	27.3
533.20343	14.1
551.21130	8.6
563.21198	9.0
575.21118	12.8
593.22321	73.2
601.76575	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	593.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27717	0.8
52.86123	0.8
53.45385	0.8
56.41875	0.7
59.01375	6.4
61.37986	0.8
64.73201	1.0
71.01363	1.2
85.02952	1.3
96.96043	1.1
113.02464	1.2
134.16747	1.0
160.01598	4.2
165.68301	0.9
200.60545	1.0
289.27322	1.1
296.06741	1.7
299.09329	1.0
311.09256	16.4
312.09924	1.5
323.09259	1.1
326.11600	1.9
327.12292	11.5
328.09567	1.1
329.10312	4.6
339.12454	1.3
340.09448	1.2
341.10312	4.5
343.11676	1.7
344.12619	5.4
352.09280	1.2
353.10217	4.6
355.11914	2.0
356.09003	6.4
359.14905	6.9
365.10254	1.5
366.10910	1.9
367.11807	8.6
368.09030	4.4
368.13065	1.6
371.11343	77.1
371.14963	2.8
383.11365	58.9
386.13727	71.2
398.13803	8.5
401.16046	100.0
413.16043	63.7
413.21683	1.5
549.28870	4.1
560.15430	1.1
564.35492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27717	0.8
52.86123	0.8
53.45385	0.8
56.41875	0.7
59.01375	6.4
61.37986	0.8
64.73201	1.0
71.01363	1.2
85.02952	1.3
96.96043	1.1
113.02464	1.2
134.16747	1.0
160.01598	4.2
165.68301	0.9
200.60545	1.0
289.27322	1.1
296.06741	1.7
299.09329	1.0
311.09256	16.4
312.09924	1.5
323.09259	1.1
326.11600	1.9
327.12292	11.5
328.09567	1.1
329.10312	4.6
339.12454	1.3
340.09448	1.2
341.10312	4.5
343.11676	1.7
344.12619	5.4
352.09280	1.2
353.10217	4.6
355.11914	2.0
356.09003	6.4
359.14905	6.9
365.10254	1.5
366.10910	1.9
367.11807	8.6
368.09030	4.4
368.13065	1.6
371.11343	77.1
371.14963	2.8
383.11365	58.9
386.13727	71.2
398.13803	8.5
401.16046	100.0
413.16043	63.7
413.21683	1.5
549.28870	4.1
560.15430	1.1
564.35492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59262	3.5
59.01379	63.0
71.01378	41.4
73.02954	4.7
85.02935	9.0
89.02435	50.1
96.95988	75.7
101.02438	34.0
109.78264	4.7
113.02428	21.6
119.03489	9.4
125.02442	23.5
143.03442	4.7
164.54788	4.1
170.37085	4.1
176.04814	19.0
179.03473	21.1
179.05582	6.9
191.07085	7.8
194.05885	58.7
203.66888	3.9
207.56847	4.2
209.08174	65.9
221.06601	9.2
236.76598	4.3
239.05614	8.7
323.09802	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	593.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43755	3.8
53.76756	5.0
56.42271	3.9
59.01385	6.0
60.13944	4.1
68.16048	4.4
81.29172	4.4
102.80118	4.6
108.02137	8.8
123.04469	6.3
127.05124	7.5
164.03568	5.3
177.04271	18.6
178.02725	8.5
178.05087	6.6
192.06668	99.1
193.04938	6.6
243.10733	5.4
249.12383	17.1
355.16656	5.6
393.42569	4.9
468.00894	6.3
504.68951	5.9
593.21252	100.0
593.35925	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	593.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98647	2.6
59.01378	37.7
71.01369	37.4
73.02943	13.1
79.29971	2.9
83.01392	2.7
85.02935	14.2
87.00880	7.6
89.02435	30.2
101.02428	39.3
103.50156	2.9
113.02444	30.6
119.03497	6.5
131.03502	19.5
160.09167	3.2
161.04543	28.3
179.05615	4.6
216.64104	3.0
221.03679	3.3
221.06665	23.0
244.77499	3.4
426.51538	3.4
523.60950	3.4
549.13635	3.9
549.21960	100.0
594.17926	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	593.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65477	3.1
57.03452	3.0
59.01374	63.4
61.43748	2.3
63.14162	2.5
66.45507	3.0
71.01368	43.2
73.02930	14.7
81.09617	2.5
83.01388	2.8
85.02930	6.4
85.33156	2.8
87.00847	4.4
87.75481	2.6
89.02424	38.5
96.96001	4.3
101.02444	42.3
113.02429	34.2
119.03445	3.4
127.74483	2.9
131.03481	12.8
151.72760	2.9
161.04553	12.9
179.05611	3.3
221.06645	20.1
235.31435	2.7
263.07877	4.5
295.86380	3.5
305.08630	4.6
327.08588	3.9
341.18317	3.2
413.22070	3.5
547.24292	3.2
549.21899	100.0
593.26990	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11036	1.6
59.01378	57.3
62.72910	1.3
70.28330	1.3
71.01366	26.9
73.02950	14.4
75.00864	1.9
83.01345	4.4
84.35336	1.3
85.02934	12.2
87.00854	3.6
89.02434	25.0
89.22781	1.3
95.01391	2.4
99.00886	1.9
101.02431	37.8
113.02438	26.9
119.03467	7.7
121.10247	1.7
125.02361	2.1
129.57751	1.9
131.03456	13.2
143.03464	2.6
155.59969	1.5
159.03017	2.2
161.04570	18.4
166.02721	3.1
179.05576	6.1
181.05054	5.2
189.05690	1.5
192.57632	1.7
198.11284	2.0
203.05579	5.9
216.12399	1.8
221.06639	19.3
263.07642	6.9
268.81940	1.6
283.84802	1.4
305.08710	3.0
431.13370	6.0
549.21954	100.0
565.99255	1.8
593.25525	6.9
610.40875	1.7
623.70721	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	593.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03340	0.7
59.01376	100.0
71.01379	2.1
89.02432	6.9
101.02417	3.5
101.63962	0.9
106.86444	1.0
113.02412	1.5
119.03491	1.5
147.06573	1.2
165.07635	0.9
207.08733	44.0
229.75414	1.0
237.49965	1.0
251.07732	3.8
341.10873	12.3
345.09576	0.9
400.40710	1.1
452.77942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.3
59.51118	0.7
61.64293	0.8
67.82123	0.9
71.01373	1.7
85.02968	1.4
89.02425	1.9
95.40170	1.0
101.02420	2.0
125.85473	1.0
195.06671	1.5
201.05598	1.3
243.05388	1.0
283.09750	5.5
293.04852	1.1
296.06848	1.6
307.06079	1.4
308.06876	5.6
309.03824	2.3
311.09247	5.8
323.05823	2.5
323.09317	7.0
324.06473	12.5
338.07925	1.7
339.08728	100.0
353.10336	5.1
354.11078	9.6
369.13351	4.0
397.09137	1.0
412.86066	1.1
413.12448	80.8
549.21698	1.3
549.29150	4.6
563.27124	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	593.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	84.1
63.54883	3.7
71.01370	16.7
73.02940	46.6
81.76038	4.5
83.01380	5.8
85.02935	8.7
89.02425	6.4
101.02422	26.8
113.02380	9.0
118.16864	4.6
122.03730	9.3
161.04614	5.1
161.55696	5.1
186.92769	5.1
238.64615	4.0
253.08640	31.0
269.08408	7.2
294.92148	4.8
295.09781	96.6
311.37198	4.7
327.12402	47.1
549.20056	100.0
549.29175	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82236	3.8
59.01377	50.6
60.95176	4.2
62.46428	4.8
71.01372	45.0
73.02925	11.3
73.37191	4.4
75.95673	5.3
83.50103	4.5
85.02948	22.2
87.00893	5.7
89.02445	9.7
96.95944	8.1
101.02443	47.5
103.05507	10.0
109.06577	34.1
110.03718	8.6
113.02429	35.7
121.06580	100.0
131.03497	6.5
137.12041	5.1
139.07640	31.6
161.04594	10.9
221.06612	9.2
257.72491	5.0
346.90091	4.8
445.17297	10.3
463.18307	10.5
487.18103	45.1
505.19260	64.2
531.17334	10.8
549.18091	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	593.1517
Annotation	Luteolin 4'-rutinoside
Peak:m/z	Relative Intensity
55.35326	0.7
55.53161	0.6
55.97538	0.5
59.01373	3.5
59.65798	0.7
65.40601	0.6
85.02928	1.0
89.02411	0.9
101.02413	4.2
113.02428	0.8
122.93021	0.7
132.70810	0.6
141.06879	0.8
146.57431	0.8
151.00391	1.5
183.77667	0.7
215.17015	0.7
215.19188	0.8
227.03410	9.2
229.04800	0.7
255.00348	0.9
255.02986	25.9
256.03751	4.1
257.04541	1.1
283.02405	1.4
284.03253	100.0
285.04065	14.5
299.05600	1.4
336.61993	1.0
549.21765	0.9
593.15094	59.7
593.28326	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	593.1513
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
55.09600	1.3
58.16896	1.6
60.55497	1.7
63.54593	1.4
67.36831	1.6
71.74956	1.4
75.33293	1.3
81.49652	1.4
146.59753	1.6
166.17908	1.5
237.72548	1.5
297.07574	12.1
311.05521	3.0
323.05533	2.9
325.07123	15.9
353.06641	75.3
365.06778	3.8
383.07706	40.8
395.07886	3.3
471.26657	1.7
593.15143	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	593.1511
Annotation	Meloside A
Peak:m/z	Relative Intensity
59.01376	6.5
71.01373	4.8
73.02917	1.0
73.09853	0.7
75.00854	1.4
79.28808	0.8
83.01326	0.9
85.02937	1.2
89.02425	3.4
96.95947	0.8
98.94456	0.7
99.00871	1.3
101.02406	3.5
113.02428	4.5
117.03440	1.0
120.99576	1.2
165.05547	1.2
171.72421	0.7
179.03444	5.5
191.03603	1.0
194.05832	35.1
209.08183	43.3
213.07661	0.8
282.05173	1.1
283.06149	3.9
296.06812	3.3
297.07599	14.5
309.07635	1.0
311.05624	16.3
312.06305	1.5
323.05566	6.2
323.09872	3.9
324.06311	1.1
325.07153	16.9
335.05585	3.1
337.07172	5.3
341.06555	1.4
351.05075	1.0
353.06659	82.7
355.08130	3.1
356.05130	1.0
365.06625	10.2
377.56741	0.8
383.07730	48.4
395.07602	6.1
410.65045	0.8
413.08679	6.1
431.09778	6.3
455.09460	1.3
473.10910	9.5
503.12015	1.1
549.22449	1.3
593.15137	100.0
593.27838	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	593.1304
Annotation	Epimesquitol-(4alpha->O->4beta)-epimesquitol
Peak:m/z	Relative Intensity
57.04146	1.8
57.68005	1.7
79.46062	2.1
82.83009	2.0
89.89330	1.9
121.02938	100.0
126.69209	2.4
150.90562	2.1
170.98648	2.0
209.04559	23.5
252.60490	2.0
375.02893	2.1
549.10400	2.7
593.12897	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	592.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51846	9.1
61.27531	9.0
71.57012	10.6
93.66238	8.8
97.31873	8.8
99.08143	58.6
100.56773	9.4
130.58372	9.3
134.00883	10.5
136.35593	11.1
139.81819	10.0
146.49988	11.8
265.15170	11.9
293.21246	39.8
421.56390	11.9
507.61542	10.6
518.28815	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	592.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57909	9.6
57.11675	11.0
59.01382	16.0
59.68362	10.8
66.66874	11.7
73.38971	11.5
75.72646	13.1
99.08141	30.0
107.30142	11.6
180.31093	13.1
193.12332	25.9
223.65982	13.1
293.21249	49.2
406.20544	12.9
518.28857	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	592.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79432	1.4
59.01379	22.1
63.33639	1.7
69.07350	1.4
78.12695	1.6
78.95901	7.5
92.79796	1.5
99.08145	61.4
129.62968	1.8
148.61102	1.6
149.13382	2.7
150.78557	1.5
152.99577	3.3
161.12773	1.5
168.04298	3.5
185.15181	1.7
186.98416	1.9
193.12309	38.0
193.32524	1.8
205.22163	1.6
242.07948	2.9
265.21732	2.9
293.21240	74.8
480.72305	1.6
518.28882	100.0
592.32941	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	592.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.6
59.58963	1.9
72.76765	1.8
75.52216	2.0
85.02951	11.4
87.07682	1.9
98.96505	1.7
118.81181	2.2
136.49713	2.2
146.29984	2.4
151.84557	1.9
154.12352	8.5
170.11859	22.7
197.49896	2.0
198.11368	100.0
213.51981	2.2
216.12401	93.3
258.13492	82.7
268.00165	1.9
309.64178	2.4
310.82288	2.0
375.52231	2.0
592.26617	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28405	9.5
56.57622	11.3
58.11900	11.4
63.24101	11.7
96.56129	12.0
127.70599	14.9
168.53239	14.1
201.84743	15.5
293.21323	100.0
358.65057	14.3
518.29108	28.5
524.83777	13.8
532.30792	16.1
542.81396	12.0
579.54956	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	592.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58783	2.4
56.56748	2.4
58.82851	2.1
65.89008	2.1
67.49525	2.4
73.05827	2.2
82.45589	2.5
96.95979	3.0
107.05017	10.2
145.02605	2.6
149.06079	28.4
158.83478	2.5
177.05562	26.1
179.03497	49.0
195.06607	3.7
206.08209	15.7
211.13350	2.4
239.05595	100.0
241.07724	2.6
365.78815	2.6
394.07227	2.8
461.67847	2.7
548.15912	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	592.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30150	2.3
59.01377	26.1
67.58146	3.1
71.01369	34.5
72.54407	3.0
73.02933	7.1
85.02945	12.8
87.00871	12.1
89.02431	20.1
92.05052	4.1
96.95982	14.6
99.01437	3.4
101.02432	39.7
113.02442	18.2
119.03471	13.1
120.04529	33.1
122.06070	4.1
125.02407	3.5
131.03467	15.0
138.05624	30.7
161.04550	22.9
164.03554	75.4
193.05099	3.8
211.06197	21.6
218.10284	5.6
221.06628	17.7
282.09946	5.3
300.10742	34.9
324.13821	3.5
373.11517	12.0
465.27887	3.7
506.14984	17.9
548.16272	100.0
592.15430	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	591.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34745	5.6
58.37891	5.6
59.01359	5.8
66.59407	6.1
71.06242	6.1
71.53056	5.8
84.46460	6.5
96.79758	6.5
97.04892	7.4
97.66764	6.1
99.86310	6.3
100.43221	5.8
123.89491	5.9
136.07649	11.2
138.09200	66.6
161.07195	8.3
213.06532	8.3
215.08261	83.8
230.82495	7.0
233.09323	36.1
241.09828	89.1
259.10690	10.6
398.20682	10.2
561.27008	12.2
591.28491	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	591.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47985	1.5
59.01371	10.2
63.56658	1.5
71.01368	6.2
74.96104	1.7
88.76997	1.5
91.05065	2.1
92.20029	1.8
92.75716	1.4
105.34046	2.0
113.02400	2.2
136.07655	9.1
136.45337	1.6
138.09210	2.3
140.07195	3.3
149.09671	2.4
162.05646	3.0
162.45261	1.6
185.10883	3.9
213.13937	17.4
215.08255	2.7
217.42131	1.6
239.11902	100.0
241.09756	3.8
257.12891	8.8
281.04666	3.1
293.48984	2.2
336.20596	2.0
337.45523	1.7
362.18668	3.2
410.20837	26.8
428.21741	14.3
487.32584	7.2
547.11035	2.1
591.28302	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
59.01379	28.9
60.23621	1.7
71.01374	23.5
73.02927	7.3
75.00861	19.6
81.51722	1.7
83.01378	3.7
85.02934	24.3
87.00863	7.1
89.02431	6.3
95.01375	3.0
95.13322	1.7
99.00864	11.3
101.02411	13.6
109.29410	1.7
113.02431	31.1
116.00161	1.6
126.52666	1.6
153.09239	4.0
161.04417	1.8
171.10294	3.7
175.02490	2.0
178.27148	1.7
198.76810	1.7
215.09294	3.7
217.52100	1.9
257.10382	7.4
270.76379	1.9
350.42108	1.9
494.34500	2.4
547.27649	7.9
591.26685	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	591.2665
Annotation	Dendroside D
Peak:m/z	Relative Intensity
59.01379	59.3
71.01373	32.2
73.02932	10.3
73.21375	1.6
83.01356	7.3
83.48079	1.9
85.02923	12.8
87.00886	2.9
89.02426	29.3
96.95988	8.4
101.02441	38.8
113.02423	24.0
115.38972	1.7
119.03480	9.9
131.03487	2.4
161.04504	8.0
162.62555	1.8
195.13936	3.0
207.13771	2.5
221.06644	2.2
225.14899	20.2
284.09192	1.9
369.19327	3.2
381.09232	2.2
387.20334	15.3
411.10190	2.0
429.21286	18.9
531.24414	2.9
547.28394	2.1
549.25610	17.4
591.16315	17.1
591.26526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.266
Annotation	Dendroside D
Peak:m/z	Relative Intensity
59.01375	66.5
71.01373	42.7
73.02937	17.1
83.01371	8.2
85.02931	15.4
87.00850	3.1
89.02420	31.9
95.01367	7.1
96.95992	1.7
97.02906	1.9
99.00850	7.0
101.02430	50.3
113.02435	26.8
119.03481	13.8
131.03467	9.0
143.03467	3.1
146.08188	1.4
152.08427	7.9
155.10738	2.1
159.03047	2.1
161.04494	13.1
179.05650	6.8
182.02223	9.3
197.04575	12.6
210.12708	1.6
210.67821	1.5
221.06795	5.3
225.14935	7.2
263.07584	2.8
327.04352	1.6
369.19144	10.1
387.20398	11.9
416.45447	1.7
429.21405	35.6
531.24316	6.2
549.25305	13.0
555.17230	5.3
591.26685	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	591.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
71.01379	3.1
84.65894	1.4
85.02921	3.1
87.00872	1.8
89.02422	2.5
101.02420	3.3
101.65984	1.6
113.02400	6.0
138.09212	3.6
181.48032	1.5
215.08269	2.5
241.09737	2.6
250.32545	1.7
385.25739	1.7
401.25293	2.6
443.26352	3.3
461.27640	2.7
503.28873	2.4
514.26794	1.7
591.27863	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	591.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01371	19.6
69.71167	1.0
71.01368	19.8
71.33536	0.9
72.99292	2.3
73.02924	4.5
75.00861	16.8
76.78340	0.8
83.01366	2.0
85.02937	29.5
87.00858	7.7
89.02432	5.2
92.19425	1.3
95.01371	4.8
98.71107	0.9
99.00850	8.6
101.02425	12.1
103.00371	1.0
113.02424	24.5
115.00353	1.8
116.92831	1.0
117.01909	1.8
129.01942	1.4
157.01540	1.1
175.02563	1.2
215.08249	4.7
241.09732	1.6
342.98102	1.0
415.23334	17.0
591.26666	100.0
607.91412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12818	1.3
53.17777	1.3
87.00902	1.7
87.44719	1.4
96.95995	7.7
125.38863	1.7
133.02962	3.1
135.04518	29.5
145.07922	1.5
161.02440	94.0
179.03496	40.5
179.05606	3.7
249.12437	100.0
341.08777	75.8
341.71439	1.6
432.16656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60512	1.1
59.01381	21.0
71.01368	25.7
72.99276	3.4
73.02913	3.4
75.00857	22.3
83.01347	2.7
85.02516	1.8
85.02941	28.8
86.35465	1.3
87.00841	9.6
89.02433	14.0
89.98785	1.4
91.44395	1.5
95.01340	2.2
99.00875	10.3
101.02422	10.7
113.01679	1.7
113.02424	40.2
115.00319	2.1
125.44568	1.5
131.03439	1.9
167.03444	2.3
173.04402	3.0
175.02431	2.0
179.10680	2.9
205.12277	2.3
222.12521	2.1
223.13277	3.2
231.56570	1.6
267.56976	1.5
444.16629	1.5
591.13031	3.1
591.22766	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	591.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71591	0.8
57.03436	1.3
59.01379	11.5
70.45467	0.8
71.01380	10.4
72.99299	1.0
73.02949	2.2
75.00858	4.7
85.02936	14.9
87.00848	4.2
89.02428	2.3
95.01379	1.4
99.00842	3.9
101.02422	4.9
102.54251	0.9
111.00867	6.7
113.02431	12.4
115.00305	0.8
138.09227	4.5
142.66948	1.0
143.03452	1.0
154.01726	1.0
158.13863	0.9
167.10751	100.0
215.08257	6.9
241.09766	7.5
267.03848	1.0
315.03625	0.9
332.16818	0.9
358.53326	0.9
376.58740	1.0
379.08713	1.9
417.24994	4.6
438.89819	1.0
537.56689	1.0
547.11493	1.6
547.20251	40.4
547.27747	6.6
561.27240	6.3
562.15796	1.0
562.58618	1.1
591.27454	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	590.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33556	1.8
53.03230	1.7
56.22992	1.8
56.60014	1.8
59.01125	3.5
59.01380	56.9
61.98824	30.2
69.34433	2.3
71.01389	28.2
71.05956	2.0
72.81957	2.1
85.02924	3.5
89.02443	32.3
101.02446	19.1
105.39754	2.4
108.08202	3.5
113.02412	5.6
119.03476	10.8
126.09218	10.0
138.09099	2.6
144.01959	2.1
165.48888	2.3
177.61845	2.2
192.20406	2.3
225.22174	13.5
276.12238	2.5
312.25076	2.4
382.96753	2.0
387.83014	2.5
410.32553	10.3
414.13086	2.7
428.33807	2.6
438.84689	2.1
590.39136	100.0
590.81281	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34886	2.1
51.72807	2.2
55.37886	2.3
57.83573	2.2
59.01381	18.4
62.08492	2.2
72.01168	2.6
73.75129	2.6
78.95895	5.5
97.06579	44.0
98.47012	2.6
123.96577	2.4
159.04391	2.5
168.04202	3.0
182.89839	2.3
183.13889	3.4
193.12312	14.6
195.08414	2.8
211.13388	41.1
218.64719	3.6
242.07956	3.3
246.93515	2.7
291.19629	34.6
366.25150	8.9
410.24170	5.9
414.56815	3.1
426.54800	3.1
516.27380	100.0
572.29272	3.0
590.30737	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	590.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28112	0.2
56.76640	0.2
72.47884	0.2
99.92560	3.6
100.93359	0.4
114.93397	0.4
116.92840	100.0
243.29135	0.3
366.39182	0.2
538.70129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53121	1.1
61.98805	2.0
62.29930	1.1
72.70235	1.3
74.02464	11.6
78.90754	1.1
86.02461	6.1
87.05638	1.8
99.05630	11.9
124.14640	1.2
127.05067	1.7
127.20435	1.1
128.03522	37.9
135.05653	2.2
143.04611	61.8
146.04579	7.1
153.06665	4.9
160.00728	16.3
166.09810	2.6
167.04541	2.6
167.08243	2.3
177.03340	5.4
179.04631	13.3
210.08844	13.4
254.07837	5.5
272.08911	6.2
306.07657	100.0
323.51172	1.3
459.72440	1.4
569.28851	1.8
590.28467	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	590.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64681	3.7
54.95457	4.4
59.01377	6.6
59.56846	5.0
67.09158	4.6
74.02499	6.6
77.26712	4.2
99.05648	8.5
116.06312	5.2
126.68892	4.4
128.03520	36.0
130.88196	4.9
139.65370	4.8
141.51447	4.3
143.04614	74.8
147.93802	4.8
154.17207	4.9
160.00771	7.2
179.04468	5.7
206.89998	6.5
210.08806	8.2
229.67816	6.0
230.85454	4.9
306.07657	100.0
322.88757	5.3
343.38593	5.1
387.15427	5.4
414.25504	6.0
604.41852	5.7
615.66309	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	590.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	4.2
59.01376	100.0
63.31261	1.9
69.24350	1.7
71.01371	13.1
73.02934	3.0
84.97510	1.8
85.02940	2.5
89.02420	3.8
101.02433	19.2
101.91428	1.9
109.02938	3.4
113.02424	7.8
119.03448	3.0
125.06032	8.7
161.04547	16.6
208.10927	4.8
248.27510	2.3
251.11394	29.3
252.10020	16.5
261.45865	2.2
288.85376	2.4
293.12448	69.3
410.14246	2.8
495.25278	2.0
543.08044	2.5
564.97418	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	590.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12176	1.3
59.01360	5.3
59.30070	1.0
60.14404	1.2
67.10616	1.3
71.01369	2.3
82.02981	10.1
85.02930	5.2
86.73026	1.5
96.95963	3.0
100.04020	12.3
101.02406	5.7
113.02402	1.7
119.04992	15.7
128.03522	52.6
129.01939	21.0
136.07652	9.2
146.04602	2.2
147.44058	1.5
168.27722	1.3
220.09734	28.2
248.09271	52.3
266.10367	14.5
267.88815	1.4
428.15359	1.7
578.95819	1.5
590.20966	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	589.361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00854	0.6
59.01361	1.1
59.40179	0.6
59.52312	0.6
71.01391	0.8
72.99295	3.5
75.00860	100.0
83.81116	0.8
102.79100	0.8
134.06096	0.9
134.25935	0.8
149.09761	1.1
232.61346	0.8
247.14369	1.0
256.78009	0.7
258.52905	0.8
276.19791	0.7
386.70349	0.7
427.43332	0.7
439.46021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	38.6
73.69762	5.6
77.48662	4.9
78.32995	6.2
79.11770	5.6
82.93773	6.0
87.00882	6.9
87.73849	5.2
87.86756	6.2
91.57956	6.1
92.19313	6.0
124.35329	7.5
171.10185	10.4
173.87134	6.3
209.11842	7.8
211.13417	31.1
229.14392	21.9
235.94194	6.1
259.18997	61.5
268.85083	6.1
319.86224	7.0
329.23370	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	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30793	5.9
53.83092	5.6
59.01371	12.6
64.49995	5.4
71.01354	9.4
72.10943	7.0
75.00875	8.2
99.08139	41.0
101.02460	7.7
115.80933	7.4
193.12300	13.9
265.96246	8.1
292.68329	6.8
293.21274	100.0
331.54550	10.8
614.38971	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	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44102	2.1
56.06684	1.9
59.01376	19.5
66.45814	2.2
71.81998	2.1
84.30732	2.3
89.02404	2.5
92.19395	3.0
100.91483	2.3
101.02409	4.7
113.02444	3.1
113.09701	11.2
161.04520	2.6
170.66556	2.8
222.60999	2.3
235.17012	3.9
238.48949	2.5
249.22192	4.2
253.09265	12.3
275.20441	3.2
293.21240	100.0
338.97571	2.5
529.30084	11.9
573.26447	2.4
589.28510	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.3
63.02142	1.5
68.39615	1.6
72.43004	1.6
72.65073	1.9
80.78834	1.6
87.00841	3.3
92.19980	1.7
93.73798	1.5
107.30025	1.6
109.25206	1.5
158.03685	15.1
159.04501	48.7
161.02380	1.9
161.04527	6.6
172.05290	16.3
172.11981	1.7
174.03197	55.2
176.04745	3.3
179.05574	7.1
185.05992	2.2
211.07516	2.0
220.79156	1.8
353.76016	1.8
365.24808	93.2
376.59528	1.8
381.24268	24.3
383.25800	8.2
383.30209	2.0
409.23843	100.0
571.29065	20.1
589.30347	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	589.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75666	0.9
57.42456	0.9
57.43623	0.8
67.01031	0.8
71.01422	0.9
75.00861	100.0
81.39613	0.9
83.61146	0.9
96.25967	0.9
124.86707	0.9
125.18375	0.9
257.38211	1.1
300.56317	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	589.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93573	0.8
57.59888	0.8
59.01381	7.8
60.32443	0.8
61.98828	100.0
67.71643	0.9
69.53844	0.8
71.01353	0.9
72.99301	28.9
73.02935	0.8
78.81055	0.8
85.02929	1.2
87.00850	1.0
99.00883	1.0
101.02406	1.3
110.06071	1.9
123.90897	1.0
135.64552	0.9
164.86339	0.9
183.05374	2.1
187.37613	1.0
196.24304	1.0
212.10838	2.0
227.08319	12.2
241.09776	6.3
242.10638	11.0
255.11386	75.7
256.12125	2.2
258.13718	1.1
259.13791	1.0
267.11319	2.3
268.12091	1.0
271.10788	1.1
319.02863	1.0
330.12149	6.0
378.18286	1.4
428.18024	1.1
545.21826	1.5
589.26678	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	5.3
59.01381	1.7
70.02966	7.6
71.01379	2.3
72.04515	1.1
74.02467	30.8
75.16498	0.8
85.02945	4.4
87.00858	1.8
87.05540	0.9
98.02458	8.7
103.11473	0.9
113.02447	1.6
116.03519	23.1
116.05016	7.2
159.09213	2.1
169.19145	1.0
172.07643	1.0
189.07857	1.0
198.84300	1.0
201.10329	5.0
203.08266	65.8
220.20912	1.0
238.52228	1.1
245.09296	100.0
273.36774	1.1
289.08258	1.5
362.48486	1.1
545.27417	9.0
589.24908	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	589.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83676	0.5
59.01383	0.8
60.00290	0.7
61.98827	100.0
63.97776	0.6
75.64422	0.7
98.78979	0.6
105.18495	0.6
127.87740	0.6
139.60512	0.6
221.33374	0.7
249.24741	0.7
526.30762	0.7
572.28302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79878	1.9
59.01372	3.2
72.99296	30.7
94.75329	2.5
107.60132	2.4
118.32057	2.4
122.06126	3.0
134.05380	2.5
160.71974	2.4
174.65343	2.5
227.08289	15.4
241.09868	12.5
242.10617	13.8
255.11388	75.1
255.26450	2.6
267.11398	4.3
289.37393	2.6
291.51392	2.6
330.12140	5.5
368.83765	2.6
436.59402	3.2
589.26703	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	589.267
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
53.64343	2.4
53.66285	2.6
58.05409	2.4
59.01368	3.8
60.28580	2.3
60.29778	2.5
65.90472	2.8
72.99301	14.0
82.86337	2.6
84.34711	3.9
117.65815	2.9
122.06126	4.3
139.70081	2.9
146.06075	4.5
162.05501	5.3
162.60033	2.9
183.05383	6.3
227.08278	5.1
227.11781	7.2
229.13564	11.4
242.10616	4.6
253.09906	12.5
255.11420	31.5
257.09305	4.1
257.12909	4.1
259.14496	13.0
267.11423	30.5
268.12082	4.5
269.08969	3.0
285.12411	3.6
329.11212	4.4
589.26721	100.0
590.67603	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	589.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86615	3.5
59.01378	67.0
71.01376	65.1
73.02940	6.4
74.50604	4.0
75.38124	3.2
81.23639	4.0
83.01398	16.7
85.02925	29.0
85.80563	3.6
87.00861	5.4
89.02425	48.1
97.15765	3.7
101.02428	62.4
113.02455	49.1
119.03477	16.7
131.03429	4.5
134.51546	4.9
151.07570	5.1
151.31200	4.2
152.08427	9.0
153.09256	38.0
158.92226	4.4
161.04497	22.5
165.05412	5.0
168.66052	4.3
200.51222	4.8
205.12331	48.8
223.13467	6.4
385.18863	7.8
529.22949	59.3
547.23950	100.0
589.24542	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	589.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.4
59.01379	15.8
60.61296	1.0
60.78505	1.1
63.69260	1.1
68.86864	1.2
71.01375	20.0
72.99309	2.3
73.02924	2.3
75.00861	14.4
85.02955	21.1
87.00862	6.6
89.02422	7.7
92.05284	1.3
94.95931	1.2
95.01378	2.9
96.95969	2.0
99.00871	8.9
101.02417	6.2
101.52817	1.2
103.00394	1.2
113.02428	31.9
131.03479	1.5
138.18456	1.4
138.89217	1.4
173.04568	5.2
176.78400	1.2
233.15555	1.3
251.16422	5.0
261.17139	1.3
495.62234	1.4
589.25098	100.0
589.63940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2507
Annotation	Serrulatoside
Peak:m/z	Relative Intensity
55.01868	3.7
59.01376	79.5
66.39112	2.5
70.30910	2.0
71.01371	72.9
71.64953	2.4
73.02942	20.8
75.00894	2.3
83.01382	10.2
85.02925	25.2
87.00858	12.6
87.92204	2.3
89.02425	46.9
95.01363	2.5
99.00858	5.3
101.02431	64.1
103.75456	2.4
113.02428	43.2
119.03445	17.1
131.03485	12.9
137.02376	2.8
143.03441	5.5
152.01134	13.2
153.09171	23.0
161.04535	30.6
165.09171	23.1
167.03479	20.5
179.05620	25.3
203.05629	2.9
205.12331	68.3
221.06633	47.7
263.07645	14.8
315.26285	2.9
379.08325	2.8
436.56177	2.5
571.24207	22.0
589.15894	4.7
589.25037	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	589.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.5
59.01374	28.9
59.04794	1.2
67.40428	1.1
71.01370	37.5
73.02940	9.6
83.01383	6.4
85.02940	18.7
87.00858	2.8
89.02429	21.9
95.01365	2.9
99.00899	4.4
101.02438	35.9
108.81935	1.3
113.02428	22.8
119.03502	4.8
125.02455	1.3
131.03511	2.6
134.53275	1.3
161.04553	5.6
167.03561	1.4
182.02159	6.0
197.04446	9.5
203.08270	1.4
231.55309	1.3
291.36469	1.4
365.19559	1.6
369.50174	1.5
452.42200	1.2
527.24609	4.8
545.25873	4.5
553.25818	1.4
589.25208	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	589.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87458	1.5
53.77261	1.4
55.01872	2.4
59.01378	72.4
68.78151	1.5
71.01375	41.6
72.42051	1.4
73.02943	18.9
75.93726	1.6
79.45174	1.6
82.10547	1.9
83.01371	6.9
84.13362	1.6
85.02934	18.9
87.00847	8.0
87.89629	1.6
89.02424	29.6
93.50267	1.4
95.01359	2.9
97.02945	3.0
99.00855	2.9
100.98321	1.8
101.02431	41.9
101.96768	1.7
113.02429	29.8
119.03497	9.7
125.02396	2.1
131.03491	11.7
151.07628	8.0
152.08415	17.1
153.09193	49.7
161.04536	12.7
161.09636	2.4
164.07217	3.3
179.05617	9.1
203.74438	2.0
205.12323	39.8
206.08321	2.2
221.06711	10.3
223.13402	10.8
263.07843	3.1
367.17691	7.0
385.18799	6.6
427.19745	50.9
529.23688	2.1
547.23956	8.7
589.25165	100.0
594.04053	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	589.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15379	2.6
58.66787	2.7
59.01377	93.3
71.01370	81.0
73.02936	34.6
73.03799	2.7
78.96809	2.6
79.65166	3.0
83.01376	7.3
83.38162	2.8
85.02946	24.0
87.00878	16.5
89.02434	60.7
95.01360	4.3
97.02869	3.1
99.00873	4.6
101.02425	77.7
113.02436	51.9
119.03482	27.1
125.02412	6.5
127.32275	2.8
131.03493	34.6
143.03496	12.0
161.04539	48.9
179.05603	41.9
205.12268	7.2
220.41927	3.0
221.06641	46.8
263.07681	31.6
589.24969	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	589.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28358	1.8
54.41387	1.8
55.90999	2.1
56.86750	1.8
59.01378	90.8
71.01373	57.9
73.02937	23.1
75.00880	3.3
83.01374	11.9
85.02936	26.2
87.00871	5.2
89.02437	53.7
95.01394	2.9
95.53810	2.2
97.02940	3.6
97.31673	2.5
99.00860	5.3
101.02431	55.7
105.84660	2.5
111.00857	3.4
113.02434	37.8
119.03503	16.3
122.38782	2.0
125.02447	7.5
129.01959	2.8
131.03468	9.7
151.04031	12.0
159.02911	2.4
161.04521	21.6
163.19664	2.4
165.09186	50.1
179.05602	8.8
190.06415	2.0
205.08730	36.3
221.06665	13.5
223.09766	3.8
265.10788	2.4
268.03671	14.4
269.04575	9.0
367.14056	3.4
385.14996	15.8
427.16055	42.4
473.11230	3.4
545.09906	4.3
545.18756	22.7
545.26672	7.7
547.20264	23.2
589.21234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.6
58.45604	0.8
59.01377	18.7
61.15620	0.8
61.98826	21.1
67.68665	0.9
69.67506	0.8
71.01369	18.7
72.99284	5.8
73.02917	4.8
75.00861	19.0
79.53936	0.8
83.01366	3.8
85.02935	28.4
87.00858	8.9
89.02422	5.5
95.01367	4.4
99.00866	9.5
101.02410	8.5
103.00324	1.2
106.25539	1.0
111.00835	6.1
113.02433	28.0
115.00339	2.0
117.01923	1.6
129.01889	4.0
156.63298	0.9
173.04495	1.0
175.02454	1.5
233.15596	1.4
235.17000	5.3
251.16551	6.8
273.64459	1.1
406.17886	1.1
413.21625	5.3
419.33105	0.9
458.35709	1.0
543.70752	1.2
545.22833	5.0
589.25049	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	589.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86274	4.0
59.01382	10.8
60.27162	4.8
61.98825	29.4
64.24686	5.1
72.63674	4.5
72.99309	9.1
82.07644	4.9
107.05012	5.4
126.86187	5.4
131.70929	6.0
135.04498	89.8
156.46298	5.4
164.60243	5.3
165.05605	22.8
234.90865	5.3
249.32483	6.5
255.11372	9.2
255.81775	6.0
339.08508	7.6
342.11188	6.3
357.13516	12.2
369.13565	36.9
514.43506	8.2
553.20813	100.0
589.26038	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54270	6.0
59.01374	27.1
64.49110	6.2
71.01359	29.8
72.50418	5.3
75.00867	31.9
85.02935	28.7
85.23774	5.9
86.37512	6.8
87.00843	6.6
89.02435	10.8
95.01382	7.5
99.00864	9.5
101.02418	8.9
113.02430	32.0
118.10161	6.4
130.08754	7.4
135.04549	47.6
165.05502	10.4
180.18654	6.5
204.40961	7.5
251.16603	10.5
413.21783	12.5
505.18604	24.3
545.22821	26.8
553.20972	54.7
553.39508	45.1
589.25061	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	589.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92830	1.2
57.63182	1.2
59.01368	8.6
71.01369	8.2
72.20607	1.1
85.02961	2.4
89.02431	5.6
89.53773	1.2
90.07997	1.2
93.20093	1.2
96.96004	1.8
99.00914	1.2
100.90409	1.2
101.02425	6.6
113.02409	5.2
123.65162	1.5
131.03513	1.4
161.04492	1.8
167.09152	1.3
176.10620	1.5
179.03508	1.5
179.05678	2.1
186.43939	1.4
195.82275	1.6
221.06593	2.1
225.37997	1.6
263.07712	1.8
308.06757	1.6
309.07782	2.7
322.08334	11.9
323.09302	10.0
326.17633	1.3
337.07239	2.5
349.07071	5.9
351.08704	17.2
363.08951	3.1
379.08282	69.1
391.08023	11.1
409.09366	44.2
433.09052	2.2
439.10455	2.1
461.28436	1.6
499.12256	1.8
589.15717	100.0
589.24591	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	589.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99349	0.4
79.95732	1.0
91.13172	0.5
96.95998	100.0
126.50758	0.5
135.04535	0.8
159.82117	0.4
194.51840	0.5
208.02583	0.5
239.05681	0.7
249.12418	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	589.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90271	0.9
53.80703	1.0
57.79407	1.1
58.37467	1.0
59.01388	2.8
64.56190	1.1
66.05732	1.3
71.01381	2.8
71.01780	1.1
74.02454	1.8
74.87500	1.1
85.02932	2.1
89.02416	1.2
91.04794	1.2
92.19937	1.7
93.03442	1.7
101.02431	1.4
110.75288	1.2
111.07982	1.0
113.02407	2.3
116.03432	1.2
156.23497	1.2
203.08220	7.6
245.09370	8.7
309.07587	2.3
321.07501	2.1
322.08380	6.1
323.09192	8.6
337.07254	6.2
349.07104	6.7
351.08813	17.6
363.08676	2.4
379.08206	71.4
391.08377	9.8
409.09314	35.9
421.09290	4.9
423.10922	1.5
439.10315	2.1
469.11194	6.5
589.15656	100.0
589.24042	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	588.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09946	0.3
51.09943	0.3
56.13448	0.3
59.01372	1.7
61.52975	0.3
61.98827	100.0
63.00381	0.3
65.15224	0.3
70.23579	0.3
85.14193	0.4
96.49271	0.3
146.67195	0.4
291.19559	0.5
292.19977	1.6
293.21164	0.5
293.43170	0.4
342.14761	0.7
525.27533	2.1
529.30487	0.5
536.31250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24958	1.5
58.02972	3.8
58.08559	1.6
59.01371	2.2
73.83412	2.0
76.23557	1.9
81.00086	2.0
87.05615	9.9
91.05492	2.5
113.07195	19.5
129.06694	26.6
129.10330	3.4
135.46419	1.9
144.07742	2.0
147.04514	12.4
153.06664	4.5
164.07147	14.1
166.08702	4.0
170.09357	26.7
173.40082	2.1
200.14108	9.1
217.13391	16.7
224.13971	11.1
236.17322	2.3
242.15121	2.4
261.12402	29.8
274.15604	4.0
340.31714	2.2
395.27939	2.0
544.27808	53.7
588.30420	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	588.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29840	18.3
59.01375	95.2
66.32343	21.4
71.21799	19.3
115.19503	18.0
118.75436	20.0
291.19629	27.9
292.20032	100.0
311.22095	22.8
455.44913	22.3
529.30322	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.4
66.24348	1.4
66.45029	1.5
87.00857	100.0
97.75272	1.8
107.04999	2.0
120.25156	1.5
134.03741	3.7
135.04500	10.2
171.86072	1.7
191.80186	2.1
196.07388	5.5
215.08292	1.8
223.99898	1.6
245.91072	1.8
247.14474	6.2
365.45511	1.7
424.18570	1.9
499.32901	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	588.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15089	1.2
53.16709	1.2
54.68365	1.0
59.01375	34.3
60.29530	1.1
71.01387	11.5
73.02930	12.4
83.05011	11.6
85.02909	2.5
87.00864	1.8
89.02425	8.0
93.11298	1.2
94.77914	1.4
98.85965	1.4
99.37651	1.2
101.02429	19.0
113.02415	8.7
115.07600	1.7
119.03477	1.8
139.07646	24.2
158.11809	5.5
180.13928	2.2
181.12349	11.6
187.46677	1.2
196.95926	1.4
206.11757	1.8
224.12860	8.6
226.28236	1.3
267.01343	1.2
284.26343	1.4
398.58896	1.4
404.19193	2.7
453.14352	1.2
498.77673	1.3
502.27216	2.1
544.27631	100.0
601.86212	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.9
78.21268	6.1
84.71359	5.3
89.02448	5.8
97.06580	61.6
152.50673	6.1
193.12334	29.8
211.13361	54.5
250.15596	6.3
252.11888	7.2
253.09285	26.0
291.19635	100.0
468.31656	7.4
527.28613	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	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10910	1.3
58.22181	1.4
58.67601	1.4
59.01085	3.5
59.01380	100.0
61.98831	2.6
71.01376	14.2
72.99303	6.1
73.02933	7.9
77.41383	1.6
85.02949	10.6
87.04511	2.1
89.02427	6.9
99.00864	2.1
101.02433	13.7
113.02435	23.4
161.04539	3.1
169.28558	1.8
174.10910	1.5
201.37816	1.8
215.08369	1.7
255.11328	8.7
362.18744	2.7
483.29660	44.3
501.30862	10.1
543.31757	24.9
587.24725	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	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92795	7.3
54.36173	7.8
58.54198	7.8
73.87137	8.4
76.88245	10.0
79.87141	7.6
86.84846	8.9
97.06573	90.3
103.39713	10.7
152.99567	20.7
153.79945	9.6
211.13391	18.4
253.09312	16.1
267.10876	8.9
276.88171	9.1
291.19626	100.0
544.32147	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	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83966	9.7
53.77049	9.7
58.38856	11.2
59.01382	10.4
63.50161	11.4
70.08011	12.8
74.04321	11.2
97.06568	57.0
152.99554	12.5
157.93123	11.7
204.56058	14.2
211.13396	56.6
249.79333	12.3
291.19669	100.0
346.84692	13.6
528.19824	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	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65215	1.9
57.03432	3.2
58.10486	1.9
59.01086	2.9
59.01375	85.6
66.65964	2.2
69.97942	2.1
71.01372	27.5
73.02927	14.3
75.74364	2.1
81.97526	1.9
83.01364	2.4
85.02924	16.4
87.00864	58.9
87.01402	2.6
87.04483	10.2
89.02431	3.5
99.00829	3.5
101.02415	17.0
113.02456	18.9
114.58935	2.5
119.03426	2.1
137.72272	2.0
161.04536	3.3
175.39275	2.2
188.95102	2.5
247.14558	2.4
483.29587	100.0
499.32449	3.1
501.30713	8.2
543.31879	18.4
587.25110	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	587.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46829	1.3
57.19229	1.1
61.98825	2.6
66.07907	1.1
75.63844	1.4
89.50021	1.3
92.19351	2.9
97.34576	1.3
107.04999	14.0
123.04467	1.9
134.03732	40.7
135.04514	100.0
146.44095	1.3
165.05559	24.0
172.12169	1.3
179.07155	2.0
181.05031	13.2
182.05861	9.5
196.07425	48.7
197.08188	9.5
211.09761	30.7
311.12756	3.0
327.12503	2.5
406.17505	1.9
527.80499	1.5
539.22876	44.4
579.88239	1.3
587.24915	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	587.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92645	1.3
57.03445	1.4
57.70079	1.2
62.87977	1.5
80.66038	1.7
83.04987	1.6
83.39097	1.5
92.48462	1.3
97.06582	3.0
110.98869	1.4
111.08129	36.5
125.09698	80.7
169.08687	1.9
173.08180	40.7
187.09752	85.5
202.74663	1.5
247.11792	6.8
261.13394	14.2
324.00446	1.6
417.21014	2.0
587.30774	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	587.252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44772	4.3
59.56971	4.2
107.05019	10.8
134.03743	5.6
135.04506	100.0
139.10550	5.4
151.70390	5.0
165.05557	10.4
176.18869	4.6
190.49471	4.2
196.07317	6.4
236.36475	5.0
448.64850	5.4
451.97687	5.3
505.16132	5.2
513.72919	6.4
551.19214	11.5
563.64404	5.3
595.19397	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	587.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72808	3.4
55.45325	3.4
56.84826	3.7
63.90480	3.9
65.69019	4.7
68.88083	4.9
88.86355	4.3
107.05016	21.3
113.26855	3.8
117.98216	4.7
125.32212	4.3
131.34142	4.2
134.03719	47.7
135.04501	100.0
160.14038	5.3
165.05536	16.4
181.05061	7.6
182.05896	9.1
196.07446	64.2
209.32059	4.6
211.09729	22.6
539.22980	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16582	2.9
55.22037	2.9
59.01384	7.1
59.70554	2.9
64.13496	2.9
92.19208	3.0
100.72375	3.1
116.78073	3.5
131.88855	3.1
136.07664	22.2
138.09250	3.0
150.03198	5.6
150.45390	2.9
165.05522	4.1
173.07190	3.3
188.09573	4.1
189.10304	12.3
213.06628	24.7
214.07471	5.1
215.08264	65.7
215.11816	4.2
238.67368	3.4
240.08971	6.9
241.09746	19.2
242.10544	4.1
243.11456	4.1
255.11461	5.4
267.07703	13.4
268.08533	89.9
269.09311	20.6
406.17679	100.0
406.22659	5.5
420.90799	3.6
424.18912	12.4
430.82544	3.5
587.25189	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33818	1.7
52.18881	1.8
57.03470	2.1
59.01382	22.1
61.98827	3.8
63.80708	1.8
64.62244	1.8
71.01378	25.2
72.99275	3.6
75.00852	18.2
78.91732	2.0
85.02946	21.8
87.00871	9.2
89.02439	21.2
91.07977	2.1
96.95995	7.3
99.00881	4.4
101.02440	20.7
106.64449	2.2
113.02428	45.6
115.00365	2.4
119.03494	4.0
121.88742	2.0
131.03481	9.9
133.39679	2.1
134.86502	2.3
145.72488	2.2
161.04515	4.2
161.48764	2.1
189.12732	2.6
193.60376	2.2
221.06683	4.5
263.07281	3.3
338.43207	2.1
386.90579	2.2
392.63928	2.1
543.24280	12.4
587.23468	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	587.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12012	16.0
55.46780	19.1
59.01361	41.8
60.15830	20.2
60.76703	20.5
68.08565	17.9
72.45005	22.3
85.02924	100.0
89.02428	19.3
91.73451	18.7
92.60148	18.7
97.63770	23.0
101.76159	21.2
105.25288	20.0
111.00871	25.0
113.02437	46.3
129.08151	22.5
192.54271	23.1
233.38860	21.2
359.14987	34.8
387.60123	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	587.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	32.4
70.65174	4.7
71.01375	29.8
72.73541	4.3
73.02930	6.7
75.74812	4.3
78.14109	5.3
89.02442	46.4
96.95971	8.1
101.02446	18.4
113.02425	24.0
119.03466	10.7
122.56967	5.2
159.11742	7.3
161.04590	7.5
167.79813	4.9
174.74219	5.0
179.05615	12.1
186.10492	7.3
201.12852	100.0
221.06659	7.8
263.07748	26.6
311.48740	5.4
340.82635	5.3
370.22467	5.1
582.18066	4.9
587.23584	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61557	8.1
131.62970	12.2
135.04514	52.2
165.05565	22.5
166.88945	11.2
171.50708	11.5
184.62767	10.3
223.64067	10.1
261.67636	11.2
337.07230	11.4
367.11826	57.9
454.78644	11.7
551.18866	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	587.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
82.48148	0.4
87.00858	100.0
93.03439	2.8
96.95996	3.9
109.02911	0.7
111.04499	11.9
123.04520	0.5
135.04521	0.7
137.02390	2.9
137.06059	2.0
155.03484	0.5
161.02438	1.6
162.02715	0.5
179.03452	0.6
181.05074	12.0
243.05066	21.7
278.37738	0.4
341.08878	0.8
342.09219	0.4
343.10263	6.4
353.45526	0.4
381.23169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99151	1.2
64.95043	1.2
82.74155	1.3
91.31534	1.3
92.19928	1.6
98.08715	1.5
107.05011	12.8
110.03346	1.4
134.03748	3.4
134.27921	1.4
135.04510	85.4
143.73666	1.5
165.05530	18.6
175.03990	3.5
190.06364	11.3
196.07402	2.7
201.61687	1.3
211.09796	1.9
218.05811	2.7
222.05292	3.4
293.98077	1.7
296.84586	1.6
321.07645	9.4
323.09174	5.9
325.07062	5.5
326.93814	1.3
336.09970	5.5
337.07156	16.3
339.08768	6.4
340.09390	7.8
352.09521	7.2
354.10925	6.1
355.12030	11.9
367.11832	18.7
458.13736	2.0
459.14984	1.7
471.91843	1.4
473.16174	5.9
485.16098	3.2
503.17102	13.7
533.17853	2.1
539.22491	1.5
551.19214	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	586.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59678	0.5
55.45867	0.5
61.81226	0.5
61.98825	100.0
72.51248	0.6
264.77438	0.7
362.16840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84574	1.4
61.98829	100.0
72.60127	1.7
78.84171	1.6
82.19517	1.4
151.48666	1.6
215.54388	1.9
219.91289	1.8
355.85751	1.7
380.28052	1.9
412.09122	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	586.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98065	3.9
51.19103	4.4
53.51010	4.0
55.66507	4.0
87.00858	70.3
87.92504	51.2
88.91474	4.0
93.82708	5.3
101.93986	7.1
103.92023	73.8
104.92779	42.7
108.55821	4.7
111.00864	6.2
112.04731	5.6
137.02448	6.1
145.96715	43.9
155.95110	18.7
156.94106	7.7
161.96210	35.9
163.97726	5.3
171.94618	25.1
173.96184	7.0
189.95667	7.6
191.01958	18.4
199.94099	46.2
243.05087	28.8
243.93137	63.5
244.05385	24.0
355.89111	34.3
402.75778	5.0
412.94104	4.8
414.98856	18.5
440.17587	5.3
452.06326	6.9
586.04657	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	585.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40004	0.9
59.01377	100.0
70.48042	0.9
71.01378	17.3
72.99284	1.3
73.02927	11.2
75.00850	1.4
83.01363	2.4
85.02934	14.0
87.00838	1.7
87.67934	1.0
89.02419	4.7
95.01363	1.5
97.02954	1.2
99.00861	2.4
101.02416	18.8
105.53342	1.1
113.02443	14.8
114.67727	1.0
137.87759	1.2
143.03453	1.4
150.42979	1.2
159.03012	1.8
160.81602	1.1
161.04526	6.2
175.07567	1.4
189.12787	2.0
195.06482	1.4
197.69331	1.1
201.12839	2.3
219.13892	15.5
378.69693	1.1
463.27283	2.1
481.28156	13.2
499.28986	2.7
523.29163	11.8
541.30212	30.4
585.25482	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	585.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99287	0.6
52.84236	0.7
59.01363	1.8
65.14823	0.7
65.68408	0.6
69.03419	0.9
91.63636	0.8
116.56593	0.7
167.10786	5.1
179.10706	1.7
179.14386	5.9
195.13898	17.9
205.12337	12.2
223.13383	100.0
227.91441	0.8
234.06714	0.8
404.12213	0.9
421.02826	0.8
440.03342	0.7
503.64523	0.8
521.01154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	2.3
59.01376	56.7
67.12892	1.2
71.01373	48.5
73.02944	13.9
83.01362	8.6
85.02934	21.7
87.00856	2.0
89.02435	30.8
99.00856	3.4
101.01794	2.6
101.02431	57.5
113.02432	33.8
116.92787	1.8
119.03478	9.7
131.03391	2.1
143.03481	3.4
158.48268	1.5
159.02985	6.2
161.04518	17.1
179.05641	7.1
181.36140	1.8
224.92860	1.8
291.18237	19.6
415.64331	1.9
423.22351	25.2
452.46689	1.7
585.27649	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	585.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60969	2.2
54.33226	2.0
55.01853	2.1
55.26389	2.0
59.01377	100.0
59.50088	1.8
59.85757	1.8
60.39111	1.8
71.01369	49.1
71.53072	2.1
73.02934	27.9
74.05133	2.4
83.01366	4.9
85.02937	26.1
87.00871	10.6
89.02428	35.6
92.19414	3.0
95.01396	5.8
99.00850	11.9
101.02434	73.3
105.35223	2.5
113.02428	40.4
116.92874	9.4
119.03484	11.7
123.04445	3.9
125.02437	2.3
125.42038	2.0
143.03481	3.1
159.02953	4.8
161.04521	26.0
194.21820	2.2
233.27405	2.3
291.18170	18.9
306.62900	2.4
384.45819	2.6
422.77533	2.8
423.22363	50.1
481.28168	17.2
499.28879	5.4
541.30029	10.3
585.27667	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.2
85.96133	5.5
88.79314	5.9
92.19980	7.8
98.48157	5.3
135.04523	100.0
150.03217	11.2
165.05580	27.5
194.05904	5.4
585.23260	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	585.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20548	2.8
53.44595	3.3
57.27303	3.3
59.01363	8.2
59.60192	3.0
68.41703	3.2
77.47371	3.3
125.06319	3.5
136.07654	15.7
149.02428	17.8
150.03207	77.2
164.04887	12.1
165.05547	100.0
179.08243	7.4
180.04189	5.4
195.06665	32.4
209.30437	3.5
258.07831	4.0
270.70889	4.2
313.60907	3.8
328.13086	15.6
329.10345	4.8
341.10275	7.9
343.15622	5.1
344.12650	15.9
359.15054	7.2
362.64352	3.4
371.14783	6.1
379.62994	3.4
454.13495	4.4
537.21478	43.7
545.35742	3.6
585.23212	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74229	1.8
59.01371	8.9
65.55139	1.5
73.02926	1.5
76.15598	1.7
96.95970	8.9
98.95584	3.1
122.03716	3.3
149.02409	3.8
150.03207	62.5
164.04788	2.5
165.05557	100.0
165.06952	3.2
180.04227	8.1
195.06618	33.7
195.63123	1.8
204.49496	1.6
329.10300	7.4
341.10269	10.9
344.12668	6.3
356.12607	1.9
359.15106	15.5
371.14758	13.5
585.23511	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	585.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79437	1.8
74.30446	2.1
107.78264	2.0
112.02586	2.1
121.02939	2.9
123.00829	3.4
130.50165	2.1
134.45897	2.0
138.03247	4.6
153.05569	21.1
163.18394	2.0
165.01865	19.1
166.99776	2.4
179.03468	3.5
180.04303	61.6
181.05151	4.0
182.02206	71.4
194.05806	3.2
195.02899	2.3
195.06625	98.2
196.03741	4.2
197.04544	100.0
210.05359	21.4
225.07684	25.9
237.51981	2.2
239.05609	13.1
281.69644	2.3
301.07159	4.4
316.09283	4.0
423.12994	60.7
585.18329	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02485	1.7
50.36554	1.4
51.03687	1.4
53.19734	1.3
54.30383	1.5
57.38876	1.7
66.25919	1.5
71.01374	1.7
74.60088	1.7
80.38235	1.9
93.03442	24.9
96.95991	38.3
118.07396	2.0
119.05021	2.2
120.99638	3.1
135.04558	3.9
137.02431	100.0
192.87091	1.9
223.06186	2.8
224.30170	1.7
232.69019	1.8
285.56445	1.9
299.07635	28.9
359.04684	1.8
535.30359	2.1
585.16650	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	585.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90211	1.2
71.01384	2.7
113.80586	1.7
121.02924	7.8
123.00953	1.8
137.74649	1.5
138.03223	5.8
142.71628	1.5
153.05534	21.0
165.01909	16.0
166.02783	1.6
166.99849	5.6
180.04277	53.6
181.05080	3.0
182.02203	58.8
195.06619	100.0
196.03767	3.1
197.04556	79.1
203.59032	1.5
206.20117	1.5
210.05356	22.3
213.98369	1.3
224.03296	2.4
225.07626	22.6
239.05637	11.5
259.96158	1.5
317.57465	1.4
423.12924	35.1
519.27777	1.6
585.18365	58.4
585.27087	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	585.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14299	0.6
59.96299	0.6
66.16367	0.6
66.79298	0.6
83.04993	1.0
87.00858	100.0
93.03437	4.0
95.17338	0.7
111.04500	13.1
137.02406	7.4
155.03458	2.5
243.05081	43.9
355.11844	0.7
406.93948	0.9
415.24741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05032	2.9
87.00858	100.0
90.33444	0.6
93.03436	13.4
111.04494	10.6
119.17123	0.6
121.02912	3.0
123.51004	0.8
137.02431	27.3
155.03473	5.6
191.50943	0.7
199.06114	2.7
204.34230	0.7
225.04057	2.7
243.05075	98.7
254.73116	0.6
585.16333	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	585.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90062	0.5
54.45491	0.5
56.86911	0.5
62.81132	0.5
71.01350	0.6
83.04999	0.9
87.00860	100.0
89.02422	0.7
93.03428	3.4
94.70711	0.6
111.04508	11.3
113.35361	0.6
134.78914	0.5
137.02415	3.7
139.04016	0.7
155.03564	0.9
167.03523	1.4
230.32220	0.5
243.05077	28.8
251.24530	0.6
311.72729	0.6
339.57477	0.6
543.54858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93012	0.8
59.01383	21.6
60.44620	1.0
64.58202	1.0
71.01366	2.4
73.02945	2.3
76.87629	1.0
84.93868	1.2
85.02937	1.3
89.02420	1.6
96.95985	2.0
98.95569	1.6
99.92571	5.9
100.90430	1.4
100.93346	15.4
101.02420	1.7
104.86055	1.0
110.72535	1.0
113.02399	1.9
115.92064	17.7
116.92843	100.0
134.15707	1.2
142.94452	1.5
152.56140	1.1
437.24023	1.2
481.27954	1.6
513.50385	1.4
541.17798	4.5
541.29456	4.3
585.16461	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07900	0.6
87.00859	40.7
93.03431	0.9
96.95985	1.4
111.04494	4.1
118.09359	0.7
122.03696	3.7
123.04509	42.9
135.04436	0.9
137.02403	0.9
145.02975	1.1
147.04512	0.8
150.03285	2.4
161.02458	5.9
165.05547	100.0
166.05855	0.9
168.80824	0.6
176.39458	0.7
179.03494	3.4
181.04980	0.8
199.04688	0.8
203.76549	0.6
224.33621	0.7
243.05110	10.9
246.50958	0.7
253.03503	2.6
253.10599	0.7
341.08560	4.7
469.52975	0.7
604.71417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68787	0.8
87.00864	100.0
93.03417	2.1
111.04492	13.2
133.02940	1.5
135.04504	13.3
137.02397	1.7
155.03592	1.1
161.02435	74.2
161.04454	2.1
179.01950	1.2
179.03485	30.1
179.05598	5.5
183.95981	1.0
243.05090	27.2
341.08783	67.0
389.53928	1.1
578.06165	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	585.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58090	1.1
59.50335	1.1
67.78941	1.2
87.00855	26.4
96.95980	1.7
111.04501	1.8
122.05725	1.2
133.02945	2.4
134.71800	1.3
135.04526	18.7
137.02373	1.5
161.02426	100.0
179.03484	48.3
179.05573	6.4
187.75903	1.2
222.94356	1.3
243.05106	10.6
335.13342	1.3
341.08780	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17675	0.3
58.58201	0.4
71.01353	0.8
79.95727	1.0
81.77136	0.4
89.02425	0.6
91.63308	0.5
96.95997	100.0
101.02415	0.9
110.34096	0.4
114.96925	0.4
119.05020	1.7
134.87798	0.4
150.03168	0.7
150.41591	0.4
161.04591	0.6
165.05582	4.3
221.06728	0.5
298.63797	0.4
350.23312	0.4
487.14621	2.3
541.21710	0.6
544.31439	0.6
585.18982	1.9
609.75208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59469	0.5
61.98828	100.0
67.02111	0.5
71.44223	0.6
92.19373	0.9
95.75369	0.6
101.02453	0.8
113.02451	0.7
119.57874	0.7
178.87973	0.6
252.74840	0.7
320.83585	0.6
409.55603	0.6
540.17444	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	584.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87561	1.0
54.59071	1.1
59.01379	45.5
61.98835	1.5
69.29586	1.4
71.01373	13.8
71.05061	1.3
73.02938	7.0
83.01362	2.3
85.02948	6.5
89.02431	17.1
99.00874	2.6
101.02422	32.6
113.02422	9.0
119.03484	3.3
120.87151	1.3
130.06604	40.9
156.06723	1.8
161.04500	2.6
200.07082	2.6
292.11929	16.7
364.41235	1.4
378.11981	2.4
462.34659	1.5
463.06964	1.6
463.14206	1.6
472.38608	1.4
540.17236	100.0
584.20563	2.2
598.16797	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	583.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49596	4.2
59.01382	100.0
61.17713	3.4
94.98112	4.0
96.95994	3.8
99.00821	3.9
101.02441	5.0
107.33614	3.6
161.72874	4.3
165.05632	4.6
197.22975	4.3
220.18246	3.6
244.28825	3.7
252.32710	4.2
327.86737	5.5
366.09845	3.9
523.29187	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62402	1.1
68.72728	0.9
70.46397	1.1
82.03234	1.0
125.09454	1.2
154.76709	1.0
207.22079	1.1
209.90225	1.1
244.46922	1.1
333.15811	1.1
462.17816	1.3
467.31482	4.6
469.33060	16.6
487.34317	100.0
489.35382	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.261
Annotation	Ebracteatoside B
Peak:m/z	Relative Intensity
51.07019	1.9
51.41784	1.9
54.38391	1.7
57.03438	2.8
59.01370	41.1
65.77394	2.1
71.01374	51.1
73.02937	13.5
73.22559	2.2
82.74995	2.3
85.02928	24.1
89.02425	32.5
92.20027	8.1
95.01324	2.6
99.00840	3.9
101.02425	44.8
113.02463	34.8
119.03472	4.5
121.69996	2.3
161.04570	13.8
178.41356	2.1
179.05542	3.7
289.16513	5.3
310.55066	2.4
322.92230	3.1
421.20798	16.5
530.41388	2.9
583.26031	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	583.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87692	1.5
52.57748	1.7
53.84134	1.7
57.03411	1.6
59.01089	2.8
59.01377	75.6
59.63781	1.7
71.01369	33.9
73.02917	20.4
83.01382	8.7
85.02923	27.5
87.00851	3.4
89.02421	10.9
89.04263	1.7
95.01381	4.5
97.02955	2.3
99.00859	8.0
101.02431	48.7
111.00852	8.3
113.02419	25.8
125.02422	8.4
129.01927	2.0
135.04515	2.4
143.03461	2.3
159.02846	1.8
161.04501	10.2
171.56425	1.8
177.55750	2.0
201.85919	1.9
335.20737	9.0
417.18393	2.0
479.24908	100.0
497.26022	48.2
509.21387	1.9
539.27252	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50378	2.8
59.01352	2.6
60.41198	2.3
75.24940	2.7
87.53625	2.6
133.05345	7.1
134.06094	25.6
138.87932	2.6
160.03940	2.9
163.27650	2.9
209.90843	2.7
223.14595	6.8
245.12825	3.5
247.14520	51.9
320.11749	3.0
342.14630	35.3
358.21381	6.9
385.20166	11.4
488.25748	25.3
533.31415	100.0
539.28510	4.8
583.27521	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.0
59.07137	2.5
65.91898	2.8
67.75568	2.9
69.03417	2.8
71.01365	58.7
73.02944	33.7
83.01366	6.0
85.02933	23.9
87.00851	5.8
89.02432	21.8
93.50362	2.8
97.02959	3.7
99.00874	13.4
101.02435	58.0
113.02436	38.8
119.03477	4.0
123.66734	3.3
161.04509	28.3
198.78473	3.3
232.71074	3.2
243.38655	3.2
289.16580	7.3
326.27856	3.6
327.01532	3.2
421.20764	50.4
537.96674	3.5
583.26166	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	583.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98419	2.2
59.01373	5.5
62.21883	2.7
79.95525	2.6
87.32002	2.3
87.45277	2.6
122.03709	2.6
150.03198	32.4
151.03891	15.3
158.75906	2.4
165.05547	85.2
166.06253	3.4
180.04245	3.3
180.07893	16.3
182.05876	3.1
185.41478	3.2
192.08002	2.7
194.05780	4.5
195.06577	22.0
210.08989	3.4
217.87770	2.4
225.07678	25.2
234.84941	2.9
266.02341	2.7
316.13174	14.4
328.13144	17.3
331.15469	37.4
343.15509	12.8
343.42383	2.8
355.29016	2.8
361.16574	100.0
421.14670	18.9
583.20367	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83580	1.6
55.11410	1.8
61.98824	3.8
66.48700	1.5
82.02966	3.1
95.56824	1.9
96.01381	1.5
98.06090	6.6
143.38113	1.8
149.02374	10.7
151.03986	3.1
152.10814	2.0
157.08865	1.8
164.04779	42.6
165.05530	7.9
165.40401	2.0
167.11887	3.1
169.13425	10.7
178.06355	3.1
179.07138	52.9
192.07991	1.7
205.05008	2.9
207.05240	4.1
211.14458	3.9
220.06050	2.6
224.09073	1.7
234.07666	10.3
244.83659	1.7
248.09195	9.0
319.16617	2.7
320.38470	1.9
347.16168	37.4
361.17847	9.1
362.18515	32.4
377.20862	20.2
576.50940	1.9
583.25067	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	583.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02067	1.1
52.03392	1.2
59.01375	33.4
60.41082	1.2
63.26407	1.3
71.01382	17.2
73.02937	2.4
81.34136	1.4
84.04548	1.2
85.02950	3.1
87.00845	1.9
89.02434	26.7
101.02430	14.6
105.19296	1.6
113.02457	11.6
119.03466	8.5
135.04433	1.9
140.29762	1.4
149.02444	1.7
150.32498	1.5
161.04570	2.2
164.04793	5.3
166.06371	1.7
179.05589	17.5
179.07144	7.9
181.05055	46.5
182.02208	2.9
190.02693	2.2
195.61125	1.6
196.07401	100.0
197.04457	1.6
197.12968	9.7
205.05038	14.4
211.09763	48.9
215.14032	8.4
238.48167	1.4
341.08627	5.7
347.16095	2.4
371.13458	6.9
410.17639	1.5
421.19864	8.1
443.77020	1.7
539.27075	3.3
583.25183	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	583.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.5
70.21516	1.8
77.13593	1.7
81.34541	1.7
88.84634	1.8
123.04456	2.2
125.02409	2.3
137.02420	12.2
138.03217	19.0
139.03993	4.4
149.02458	3.7
150.03209	20.9
151.03972	25.8
152.04784	12.9
153.05536	13.5
164.04781	2.5
165.05553	58.2
166.06322	9.2
180.04285	11.3
181.05054	22.4
182.02242	23.0
195.06639	44.1
196.03806	2.2
197.04538	53.7
204.40079	2.0
208.03760	18.5
209.08170	4.2
223.06068	17.4
225.07695	35.7
230.51820	1.9
239.05481	3.7
299.09265	2.6
361.12796	10.6
373.12897	23.9
375.14301	3.9
391.14102	26.1
405.16016	2.2
406.16367	31.8
421.11313	40.8
421.19333	100.0
564.47040	2.1
583.20428	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39953	2.1
51.09851	2.1
59.01371	3.6
65.50421	2.3
66.58839	2.1
78.64838	2.3
87.91797	2.2
95.10133	2.5
121.02920	2.5
122.03679	11.1
129.12227	2.5
133.03011	2.5
135.04559	5.6
136.01646	5.1
149.02432	15.3
150.03217	85.1
151.03998	16.7
164.04749	5.9
165.05556	100.0
166.02707	5.8
166.53548	2.5
180.04301	4.2
181.05046	8.8
183.92235	2.4
189.05501	2.7
190.06322	4.1
195.06587	32.9
204.17696	2.3
357.09583	2.8
362.89792	3.4
387.14578	22.3
535.19525	45.7
583.21527	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	583.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76184	0.6
59.01368	0.9
59.62259	0.7
62.35212	0.6
67.15924	0.6
78.95887	5.5
79.95741	1.0
96.95991	100.0
96.96899	10.5
150.03230	2.9
165.05540	4.0
195.06519	1.2
331.40710	0.8
507.83536	0.8
583.31335	1.2
609.96558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45924	1.4
59.46505	1.6
67.42735	1.8
67.58192	1.4
68.99799	11.0
78.58268	1.7
96.96024	2.2
108.02146	9.2
109.02909	2.3
123.00829	7.4
123.04501	26.9
138.03180	2.2
146.86340	1.7
147.04581	2.3
150.03192	17.3
161.02400	12.0
162.03255	3.8
163.03970	13.2
164.04759	2.6
165.05522	6.9
177.05565	51.9
178.02710	43.5
193.05070	67.6
194.05795	7.8
195.06464	1.7
223.71928	1.5
285.11255	2.5
317.49542	1.9
325.10593	2.4
329.10272	3.8
341.10257	13.6
344.12592	17.6
356.12646	11.8
359.15100	15.5
371.14896	2.4
474.14594	2.0
558.74701	1.6
571.88666	2.0
583.21802	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	583.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50254	1.8
55.95323	1.7
59.01373	9.8
64.10392	1.8
71.01387	2.3
78.34900	1.8
83.35578	2.0
85.02950	2.2
87.95097	1.7
93.87929	2.1
109.79427	2.0
118.89968	2.1
119.05108	2.2
123.04531	2.1
135.04559	2.4
136.05281	5.0
148.38910	2.2
151.03900	2.6
151.07681	2.6
165.01952	14.6
166.02686	8.5
179.03429	3.3
180.04262	29.6
181.05066	18.4
194.05757	3.9
195.06621	93.5
210.05312	10.8
225.07664	9.2
261.59903	2.0
314.11469	4.0
341.10266	5.1
358.10550	34.1
373.12912	51.5
421.15067	100.0
539.19855	2.5
581.11212	2.4
583.20435	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	583.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32939	3.4
52.26357	3.4
54.00784	3.8
66.29363	3.9
128.20480	4.2
142.10832	3.8
150.03217	72.3
151.04027	4.5
152.50580	4.3
161.73233	4.5
165.05537	100.0
195.06633	37.4
205.85614	3.9
215.14075	4.6
362.70093	4.2
366.70929	4.8
387.14365	6.6
388.67303	4.1
535.19489	8.1
575.82544	4.7
608.71936	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	583.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.3
65.58910	2.6
66.05859	2.3
66.21909	2.7
122.03774	3.2
135.04459	3.3
149.02408	17.3
149.79965	2.6
150.02100	4.9
150.03227	88.9
157.43361	2.6
164.04797	10.4
165.05553	100.0
177.11716	3.7
180.04283	4.6
195.06625	38.1
196.02188	2.7
216.51749	3.1
249.46452	3.0
323.09180	3.9
326.11639	5.3
327.08835	6.6
339.08698	15.0
342.11154	14.4
357.13455	22.3
369.13480	21.7
535.19568	36.8
583.21582	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	583.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.3
62.10962	2.6
71.01376	3.1
107.37307	3.0
115.30744	3.2
137.02382	3.8
142.45775	3.8
149.02481	5.3
150.03215	40.8
151.04004	30.3
153.05478	3.9
165.05548	100.0
165.06932	3.7
166.06355	14.1
180.04318	6.2
181.05087	11.5
182.02187	3.9
195.06586	25.9
197.04549	15.6
208.03717	4.4
209.08240	3.4
225.07652	57.3
295.20667	3.4
373.12842	41.3
391.13959	12.9
406.16302	11.5
421.14651	69.1
421.19196	17.2
533.53284	3.5
583.20129	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41061	1.3
59.01370	6.3
65.13692	1.5
85.02957	1.5
98.92986	1.5
104.70168	1.6
108.19978	1.5
129.51653	1.9
135.04529	2.7
136.05263	8.5
138.81294	1.8
165.01871	11.6
166.02716	11.6
179.75166	1.6
180.04288	31.4
181.05029	18.7
194.05827	2.6
195.06630	100.0
210.05327	14.5
211.06152	3.1
225.07663	16.9
225.69582	1.8
230.36205	1.6
341.10370	2.2
358.10699	2.7
373.12866	3.7
421.09802	2.8
421.15106	54.3
525.73071	1.5
576.90619	1.8
583.20233	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	583.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12263	1.4
59.01366	8.2
92.19348	2.3
123.04409	2.1
134.76819	1.8
135.31290	1.9
150.03224	32.4
151.04001	17.4
155.24471	1.7
163.04039	2.3
164.04753	3.7
165.05559	100.0
166.06343	12.8
179.07184	2.6
180.04234	6.7
180.07903	12.4
181.05035	2.9
195.06583	23.4
212.06989	2.5
225.07660	32.2
306.59705	2.0
316.13046	3.2
328.13324	10.6
331.15536	19.3
343.15616	12.9
361.16595	52.1
373.13022	2.9
421.15033	33.2
583.20319	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74645	1.4
57.16346	1.3
59.01361	3.1
71.01376	1.7
72.99308	14.1
86.12611	1.4
89.02435	2.8
93.44624	1.8
122.03714	2.8
123.04539	2.8
123.65154	1.7
135.11234	1.7
149.06061	6.9
150.03233	3.3
154.31009	1.7
165.05579	23.9
178.02747	2.7
180.04161	2.8
192.04234	3.2
193.05054	36.4
195.06686	6.8
210.05338	26.9
211.06137	23.0
225.07678	100.0
296.22324	2.1
421.15063	32.9
485.31812	2.0
583.20239	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43287	1.3
59.01376	3.6
82.53679	1.5
96.95911	1.9
123.04465	2.4
149.02361	1.7
150.03188	24.1
151.04033	16.3
163.03925	1.7
164.04810	3.8
165.05551	100.0
166.06351	10.1
169.32799	1.5
179.07106	1.7
180.04305	3.8
180.07881	8.8
180.24236	1.8
181.05049	3.6
185.01807	1.9
194.05858	2.2
195.06607	19.7
210.08945	3.5
218.12645	1.9
220.07111	1.8
225.07709	32.6
316.12872	2.5
316.95987	1.6
328.13007	5.8
331.15591	16.8
343.15436	7.7
361.16583	39.2
373.12900	3.1
396.63327	1.7
421.15082	32.0
468.79385	1.7
583.20178	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.91820	2.3
71.01373	44.8
73.02945	19.6
83.01376	4.4
85.02928	23.8
87.00848	5.0
89.02418	14.2
96.95997	4.3
99.00862	14.7
100.14131	3.0
101.02438	41.4
108.02142	3.8
109.79125	2.5
113.02427	32.7
119.03455	4.7
125.02436	4.0
125.47554	2.9
141.42307	2.9
143.03456	3.4
152.01143	4.5
153.01447	3.8
161.04506	6.0
167.03462	13.8
168.03770	4.8
173.54001	2.8
195.74190	3.0
249.13390	19.0
335.17117	4.1
393.17645	11.0
411.18634	3.9
435.18661	17.4
453.19797	65.8
495.20935	70.5
539.23578	5.4
583.26868	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	583.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00938	0.6
88.67266	0.6
93.86955	0.7
96.95992	1.0
121.02946	1.3
122.03715	3.9
123.04508	42.1
139.45358	0.6
144.03880	0.7
145.02905	0.7
150.03209	1.0
165.05551	100.0
167.03522	1.2
251.14061	3.3
252.14348	1.1
253.03554	2.9
430.96768	0.6
443.71506	0.6
529.52502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36868	0.8
55.01863	1.0
58.00575	1.1
59.01383	25.6
62.80536	1.2
69.03424	0.9
71.01375	19.5
71.12550	0.9
72.99274	1.0
73.02940	5.8
75.00858	7.8
79.14114	1.0
83.01366	2.1
85.02939	6.4
87.00871	2.0
89.02425	6.8
89.59305	1.3
99.00874	2.0
101.02428	20.0
113.02458	9.4
115.07648	2.0
119.03451	2.0
125.02417	2.1
127.04164	1.2
128.03502	1.8
129.56288	0.9
131.03461	1.4
145.18352	1.1
159.02953	1.2
161.04533	7.8
164.54811	1.0
173.08195	4.3
190.25052	1.0
209.04358	1.2
259.11789	1.2
277.12854	6.3
317.12488	7.5
335.13504	19.7
359.89465	1.1
377.14258	2.5
377.18457	1.8
409.17346	1.3
417.25403	1.1
497.18735	6.3
539.19769	100.0
583.22229	3.6
583.30786	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	583.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.6
61.28138	1.0
63.78381	0.9
64.89511	1.0
67.10871	1.1
71.01329	1.1
74.68231	0.9
93.03441	18.1
103.00348	1.7
107.04991	1.9
109.02912	2.3
111.04539	3.9
133.02921	2.0
134.03725	7.3
135.04507	70.2
137.02454	13.9
148.57144	1.1
155.03473	5.2
161.02428	60.2
177.05510	1.3
178.02638	2.5
179.03487	100.0
185.05992	1.4
193.06639	1.5
209.06061	1.8
211.07664	18.3
229.08635	2.3
239.05589	5.2
255.06648	8.3
273.07706	20.2
289.07083	5.8
310.76086	1.2
317.06668	16.2
348.47559	1.1
377.08777	53.7
451.12537	1.3
479.11713	11.3
539.14069	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	583.1285
Annotation	CHEBI:59615
Peak:m/z	Relative Intensity
59.51289	1.7
78.95428	3.3
78.95897	99.6
96.95995	8.9
96.96957	28.6
113.95405	2.2
117.86221	2.3
120.96964	9.6
138.97998	3.1
153.60724	2.1
240.98846	4.5
241.01192	100.0
299.60660	2.5
312.93146	2.1
365.54337	2.5
389.19867	2.5
403.06400	11.0
421.07568	8.4
463.08600	3.4
583.03723	3.7
583.12872	86.1
583.27252	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	582.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.4
59.01381	100.0
59.72329	3.3
63.49976	3.6
74.60577	4.0
83.01382	16.6
91.03992	5.8
101.02467	5.0
157.05074	4.0
175.06168	28.1
305.24832	94.1
377.78329	3.6
381.91330	4.0
395.74121	4.2
422.10092	6.6
463.30765	8.9
481.31787	51.3
523.32855	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72699	0.3
58.23606	0.3
60.01340	0.3
69.03463	0.4
71.30179	0.4
75.14902	0.4
78.89957	0.4
89.68830	0.4
92.14249	0.4
101.02438	0.4
106.49329	0.4
147.60899	0.4
150.97998	3.3
152.99580	100.0
168.99052	0.7
196.98515	0.6
240.97545	24.1
241.01189	0.9
341.10931	1.7
383.91544	0.4
474.08780	0.4
583.09094	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	582.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
70.29120	3.8
83.01372	17.4
89.49830	3.5
92.19916	6.5
104.51801	4.1
105.90649	4.2
107.93136	4.0
117.84709	4.1
120.45103	3.9
125.62533	4.3
175.06093	16.2
193.07137	7.9
247.76907	4.2
305.24835	76.1
317.33929	4.0
445.30634	4.1
463.30655	9.9
481.31485	42.6
523.32843	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32381	0.4
52.98463	0.4
59.01373	2.1
61.98827	100.0
68.98870	0.5
73.02942	0.8
91.93576	0.4
92.19458	0.7
101.02392	0.5
129.33762	0.4
189.78946	0.5
409.16400	0.5
434.62015	0.6
458.78879	0.6
461.03162	0.6
469.51620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
61.98830	100.0
71.20863	0.6
78.54668	0.6
80.08169	0.6
84.42455	0.6
131.78096	0.7
142.64352	0.7
219.96629	0.6
279.20822	0.7
279.23364	10.9
280.23633	16.1
281.23883	8.6
282.24210	7.7
340.90149	0.7
504.30832	2.3
505.30960	1.0
506.31662	3.3
507.31802	12.5
581.31854	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	582.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38959	2.2
74.02451	6.4
78.25486	2.4
89.97263	2.6
96.96002	2.5
97.04048	4.6
99.05633	5.5
100.00384	4.4
105.99635	5.2
123.04478	3.6
128.01723	3.1
128.03522	50.8
135.05606	4.6
141.03098	4.0
143.04619	39.1
144.10515	2.7
146.04552	3.1
146.08215	22.5
153.06699	4.6
160.00606	3.5
169.06146	13.1
175.01802	13.8
179.04645	9.4
185.03795	3.4
197.05774	3.3
210.08832	9.6
217.11935	3.1
243.28168	2.4
272.08771	11.3
275.10626	3.4
304.06018	17.0
308.58926	3.5
335.89017	2.9
564.18103	3.4
582.19116	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	581.321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
78.95900	6.5
78.98611	2.2
80.96496	18.1
93.87178	1.7
94.98063	3.5
96.95969	4.1
125.06476	1.9
164.98586	2.2
220.74721	2.0
225.00702	9.6
255.23357	4.2
279.23224	4.1
280.23596	8.4
281.23871	9.4
282.24280	3.4
507.32095	8.4
580.74390	2.8
581.30188	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	581.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
71.01376	2.4
73.02937	1.6
96.95559	1.1
101.02385	1.5
113.02410	1.3
117.40933	1.1
140.63493	1.4
151.03995	1.4
166.05145	1.1
175.50761	1.1
193.01241	1.1
207.06813	1.3
208.03801	1.5
223.06087	2.3
253.42223	1.1
267.64401	1.2
315.19537	10.0
333.20566	5.1
443.20691	1.6
461.22189	1.7
503.22772	17.3
521.26520	1.9
537.26825	2.7
581.19818	3.9
581.28949	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	581.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.25805	1.0
60.52926	1.0
68.92988	1.1
71.01389	9.8
71.84227	0.9
73.02933	18.0
83.01376	7.9
85.02938	7.4
87.00869	1.2
89.02418	1.9
97.02952	1.3
101.02420	18.6
112.01610	1.0
113.02436	7.6
115.52277	1.1
116.92835	1.2
149.04500	1.1
161.04498	5.1
221.06567	1.6
267.65692	1.0
268.33365	1.0
343.21188	2.4
361.22192	2.1
385.22208	13.2
385.94034	1.1
403.23367	11.3
418.67810	1.2
427.23428	12.9
445.24503	18.3
459.12317	1.1
463.25427	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	581.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94839	0.6
59.01381	1.6
65.08514	0.6
66.07692	0.7
67.47884	0.6
71.01353	1.2
91.05519	100.0
96.95994	3.9
101.02431	1.1
105.11736	0.7
113.02406	1.2
117.29132	0.8
135.04526	1.6
135.25940	0.8
163.04001	63.9
177.05531	1.6
179.03539	3.1
237.09148	0.8
239.05542	5.9
346.19727	0.7
519.67737	0.9
581.20074	1.1
581.28143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94839	0.6
59.01381	1.6
65.08514	0.6
66.07692	0.7
67.47884	0.6
71.01353	1.2
91.05519	100.0
96.95994	3.9
101.02431	1.1
105.11736	0.7
113.02406	1.2
117.29132	0.8
135.04526	1.6
135.25940	0.8
163.04001	63.9
177.05531	1.6
179.03539	3.1
237.09148	0.8
239.05542	5.9
346.19727	0.7
519.67737	0.9
581.20074	1.1
581.28143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31483	1.7
53.47658	1.4
54.16538	1.5
59.01089	3.5
59.01379	100.0
63.93967	2.0
68.73439	1.5
71.01362	9.0
85.02933	3.9
89.02431	6.8
95.01356	1.9
97.02925	12.2
98.03688	2.1
99.04507	3.6
101.02431	10.1
111.04531	2.4
113.02438	12.4
119.03495	4.0
134.03712	11.7
143.03418	2.2
165.01932	1.9
166.02684	2.7
178.02693	9.0
180.04317	3.8
181.05048	4.2
187.12422	4.0
193.05016	15.4
195.06595	11.4
198.50822	1.9
212.14427	9.0
221.06686	3.6
255.18501	2.4
285.15970	18.8
299.14319	2.7
299.17654	72.0
344.12451	2.1
359.15295	6.2
359.19769	23.2
419.13434	10.5
461.23117	14.7
498.35440	1.9
521.25226	2.6
581.19165	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	581.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86214	0.5
58.02983	0.8
61.37259	0.5
61.98813	0.8
69.52046	0.6
85.72264	0.6
89.85630	0.7
95.81590	0.6
96.95987	1.1
105.36729	0.6
108.02167	4.7
112.07656	1.0
121.02927	7.5
123.04503	4.9
129.10320	13.0
135.04504	2.9
137.06116	2.2
152.01106	6.6
167.03485	26.0
243.23154	0.6
249.12422	8.1
250.12862	1.3
251.14009	100.0
329.08774	4.1
362.81796	0.8
362.86539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24416	1.7
51.67584	1.9
59.01085	3.6
59.01377	100.0
61.98831	2.1
65.68771	2.2
66.12514	2.0
71.01366	20.2
73.02144	2.0
73.02933	58.6
77.90623	1.8
78.55045	1.9
83.01374	12.9
83.14806	2.1
85.02944	5.1
89.01423	2.0
89.02429	9.2
101.02424	35.8
111.00889	2.1
113.02422	11.9
115.33371	2.1
116.92838	8.6
123.64465	2.6
161.04613	6.6
297.18570	10.1
385.22617	3.2
385.27161	2.4
403.23621	3.4
427.23209	2.9
445.24478	3.3
537.26978	77.3
581.13983	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	581.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89796	1.1
59.01376	34.0
71.01371	15.3
73.02933	5.2
83.40417	1.2
85.02959	2.8
89.02425	20.9
95.01367	1.8
97.79821	1.2
100.89385	1.3
101.02428	15.1
102.59844	1.2
105.59788	1.3
113.02417	7.3
119.03482	9.3
135.04515	100.0
153.05573	1.7
161.02435	29.0
161.04507	1.7
166.99814	1.9
167.31924	1.4
174.05573	1.8
176.04726	10.1
179.03510	14.4
179.05473	11.3
182.02174	25.8
191.07097	7.3
194.05830	37.1
197.04570	28.5
209.08167	32.0
226.09904	1.3
311.09308	12.7
326.11520	18.8
341.13831	11.3
420.18744	1.6
445.20709	2.4
461.24146	1.5
479.25089	3.0
495.24411	1.4
537.26611	10.3
581.18652	4.9
581.26318	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	581.2244
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
50.21946	1.8
50.83046	1.9
51.18085	2.4
59.01377	51.9
71.01369	46.6
73.02901	2.5
74.16633	2.1
85.02929	14.5
87.00880	2.9
89.02435	40.5
99.00862	3.1
101.02418	33.6
113.02443	21.7
116.92850	61.4
117.92874	19.1
119.03486	10.2
161.04572	3.5
163.31580	2.5
179.05643	4.9
194.05836	22.1
209.08183	100.0
419.17267	29.0
451.22049	11.2
478.20081	2.7
581.22339	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55153	1.2
55.94655	1.2
57.61442	1.0
59.01380	100.0
62.43153	1.1
63.08104	1.0
70.97070	1.0
71.01360	2.5
74.58652	1.1
85.02911	2.0
87.15733	1.0
89.02415	6.1
90.78629	1.3
101.02427	2.4
112.99836	1.1
113.02447	4.5
119.03580	1.6
142.06641	1.2
150.03174	1.4
165.05507	2.0
168.15303	1.1
190.08904	1.2
197.04532	1.9
248.25946	1.4
266.39456	1.2
279.60681	1.1
299.09167	1.4
311.09238	4.9
314.11667	12.1
326.11551	4.3
329.13956	36.8
341.13904	10.8
351.26324	1.3
359.14966	5.5
477.30600	5.9
521.33411	1.6
537.33075	2.1
549.23987	1.3
581.21564	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16993	2.3
52.30356	2.5
59.01382	55.9
60.56192	2.6
64.19397	2.7
68.57467	2.7
69.03435	3.1
70.01191	2.9
71.01366	20.4
73.02940	5.5
80.45306	3.0
85.02950	17.4
89.02448	3.8
100.46030	3.2
101.02440	21.7
113.02405	7.5
122.03722	7.2
133.02953	12.3
138.21571	3.1
149.02441	22.8
150.03201	68.0
159.01942	3.0
164.04802	28.8
165.05551	88.7
172.05235	6.1
180.04219	4.4
181.08675	5.5
187.07652	23.7
190.06340	4.5
195.06584	12.2
205.08611	5.4
223.06110	6.7
270.08722	4.5
314.11584	6.3
314.82822	4.2
323.12778	3.6
325.13037	7.0
329.13895	31.3
341.14063	5.0
343.13739	4.7
359.14911	31.2
424.54028	3.3
473.18359	48.0
491.19281	19.9
521.19720	4.5
533.20319	52.9
539.21179	5.1
581.22479	100.0
588.16583	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	581.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20347	1.4
59.01379	21.3
63.79462	1.5
71.01377	7.7
73.02937	1.9
80.36467	1.6
85.02952	1.7
87.00867	2.7
89.02427	20.1
101.02427	14.8
113.02415	10.2
119.03479	9.7
120.50341	1.6
125.09680	11.3
135.08139	21.9
138.03197	7.9
139.00377	12.2
153.01883	2.1
153.05571	6.8
153.09206	31.5
166.02649	2.0
171.10254	8.9
179.05551	2.5
179.07037	2.3
180.04355	2.3
193.05013	3.3
197.08192	16.2
215.09360	14.1
257.10345	1.7
317.06595	5.8
317.12570	1.9
319.98251	1.8
331.08255	6.6
332.09000	9.3
341.10999	2.1
347.11267	15.0
373.13016	2.8
377.12497	20.6
462.40164	1.7
475.81644	2.1
537.22021	2.0
539.20288	2.5
551.17377	2.8
581.20758	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	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05717	1.7
53.53582	1.5
59.01376	100.0
60.75631	1.7
70.50976	1.9
71.21712	1.7
71.62135	1.5
82.70707	1.6
92.19304	2.8
100.63670	1.9
106.61852	1.8
113.02419	1.8
160.51668	1.7
299.09256	2.9
311.09244	10.9
314.11612	34.6
326.11551	32.3
329.13953	90.9
341.13922	39.6
359.15048	8.3
389.16281	7.5
529.74231	2.0
581.23206	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	581.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24770	6.3
102.54324	7.4
104.19668	6.7
124.81686	7.4
136.37180	6.9
138.03224	10.0
150.03215	37.4
151.03958	14.2
165.01982	7.4
165.05582	69.1
193.01404	10.6
193.05078	7.6
195.06654	8.6
207.06641	13.4
208.03784	40.9
223.06067	17.4
357.54489	9.3
367.11908	37.5
551.19708	7.7
581.20129	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	581.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78696	7.7
58.64612	8.5
59.85588	7.8
68.99815	15.3
72.27473	8.3
75.86830	10.1
81.75127	8.5
90.82314	8.5
92.07154	9.0
92.19364	10.3
92.87496	8.9
108.02178	10.3
108.65797	8.2
123.04489	19.2
150.03185	11.9
163.04079	12.8
177.05553	72.1
178.02731	48.5
181.05176	10.8
191.06880	8.9
193.05046	71.6
397.71365	8.8
487.32648	9.0
581.20148	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	581.203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74821	1.9
59.05850	1.8
59.24542	2.7
61.00986	1.9
61.63236	1.8
61.66759	1.8
71.53699	2.0
92.19406	3.4
104.93073	2.0
121.30974	2.1
122.03720	3.4
149.02434	9.3
150.03204	83.9
151.04034	2.0
164.04776	4.6
165.05551	100.0
175.03992	9.2
177.05534	2.9
178.02657	3.9
180.04242	4.8
190.06372	18.3
193.05055	7.7
195.06635	31.6
222.05234	3.1
295.09802	2.7
321.07687	21.4
323.09238	8.6
324.06259	8.9
324.10007	4.6
325.07291	15.7
336.10184	8.1
337.07224	24.9
339.08679	24.9
340.09433	16.3
341.10248	3.5
342.10950	2.4
352.09418	2.5
354.11243	7.5
355.11810	23.3
367.11911	31.3
371.11359	2.8
417.10117	2.4
433.20865	2.3
503.16998	4.6
533.18201	28.7
551.19330	16.7
581.20300	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	581.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.1
65.01769	3.2
68.31769	4.0
68.99806	19.5
71.01378	3.7
75.24026	3.6
107.27741	3.5
108.02164	14.3
115.60732	3.8
116.92841	21.5
123.04505	29.5
150.03227	13.7
161.02397	15.7
163.03986	16.0
165.05421	3.6
171.13927	7.0
177.05559	58.4
178.02708	56.9
179.03491	4.0
193.05069	75.0
194.05928	5.7
323.09641	5.0
327.08969	6.6
339.08829	12.3
342.11130	17.7
354.10861	4.8
357.13263	7.1
581.20258	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	581.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.6
61.55954	0.9
67.89699	0.8
68.99819	1.2
70.16093	0.9
71.01385	1.2
78.98854	1.0
83.99742	0.9
108.02146	15.3
113.02404	1.1
123.00831	1.2
123.04501	19.6
135.04523	1.0
144.76419	1.2
152.01132	47.4
161.02379	2.0
163.04012	5.0
164.04762	2.0
165.05553	1.3
166.02809	1.2
167.03476	100.0
170.82339	1.1
176.63672	1.1
177.05615	7.8
178.02750	3.6
179.03540	1.8
181.05020	1.7
190.06418	1.0
193.05026	10.2
194.05766	2.0
205.08681	4.0
208.03848	1.1
208.07402	2.5
223.06186	2.3
239.69090	0.9
314.11600	2.1
318.73309	1.1
329.14029	6.8
341.13901	4.4
351.80688	1.1
356.76920	1.1
359.15076	2.1
370.68002	1.1
389.16061	7.5
419.13220	25.3
468.20065	1.5
521.16571	9.5
581.18787	9.9
588.43951	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.5
71.01387	1.1
73.02949	1.2
80.69755	0.8
89.02443	1.1
96.95998	1.2
103.98738	0.9
106.04247	1.1
117.30128	0.9
123.04484	1.4
133.02919	6.1
135.04494	20.2
150.03206	72.1
152.01091	3.4
162.03178	1.1
164.04802	3.3
165.05547	100.0
166.06245	1.3
167.03424	5.7
175.03938	1.0
176.04849	0.9
179.07111	4.7
180.04279	1.6
181.04976	1.0
191.03494	1.5
194.05833	4.5
195.06645	10.9
209.08197	8.3
210.05315	1.9
211.06033	3.3
225.07655	10.8
233.04398	1.0
279.12476	1.0
389.12534	1.0
401.12442	1.5
411.21182	0.9
419.13449	23.6
457.15134	0.9
519.07605	0.9
581.18628	11.8
581.26447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.0
69.32249	1.7
71.01382	2.1
101.02422	1.7
107.05006	2.0
123.04508	3.7
125.02412	3.3
134.03738	41.7
136.86522	1.6
137.02425	3.8
149.06071	22.2
151.03964	2.4
153.05649	2.1
165.01917	12.6
166.68851	1.5
167.03462	21.1
178.02690	40.4
179.03468	4.0
180.04280	26.0
180.87469	1.5
191.07198	2.9
193.05054	100.0
194.05670	1.7
195.06610	47.4
197.04527	4.0
200.82143	1.7
209.04541	41.1
210.05347	10.2
211.53818	2.2
219.14787	1.5
222.12842	1.6
225.07669	19.7
239.05597	39.5
269.06726	15.5
281.06494	2.5
286.35199	1.8
308.14621	1.7
312.10056	3.0
327.12253	2.0
357.13446	2.2
371.07440	4.1
371.11603	2.2
373.13107	3.3
389.12387	3.5
401.08539	2.3
419.13171	32.7
431.10074	2.4
461.10645	3.5
491.11810	6.5
577.44232	1.7
577.76508	2.0
581.14758	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.8
60.80995	1.8
68.66917	1.9
71.01385	2.6
89.02444	7.8
90.55717	1.8
93.08298	2.0
99.52494	1.7
101.02424	2.5
111.67219	2.0
113.02469	2.9
119.03488	3.1
125.09660	2.9
132.33748	2.5
134.03714	2.2
135.08174	3.5
136.98747	2.5
137.02519	2.2
138.03214	27.1
139.00362	63.6
139.04010	2.7
151.03998	4.1
153.01945	15.0
153.05589	23.0
153.09204	12.5
166.02728	27.5
171.10179	3.0
177.01915	2.6
178.02704	4.9
179.03497	2.5
180.04243	4.8
192.04248	7.6
193.05013	17.3
195.06610	2.8
197.08221	3.5
215.09085	2.6
243.09915	2.3
254.82324	2.0
270.31543	2.3
316.05728	2.5
317.06668	17.3
331.08246	24.9
332.09006	51.4
346.10532	4.2
347.11371	60.6
377.12430	100.0
389.12289	4.5
419.13736	7.9
437.95084	2.3
551.17682	12.9
581.19580	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58736	1.0
57.22372	0.9
59.01382	17.5
71.01387	11.3
85.02952	2.1
87.00850	2.9
89.02432	9.8
101.02421	10.1
113.02435	6.0
119.03490	4.9
125.09694	6.0
134.03735	27.0
135.04532	1.6
135.08157	13.5
138.03200	1.5
149.06087	14.5
153.09193	26.7
165.01880	5.3
166.02702	8.7
169.08658	1.9
171.10306	5.8
175.04056	2.1
176.04807	1.9
178.02718	22.5
179.05589	2.2
179.07069	1.5
180.04289	16.8
181.05087	11.6
191.07066	1.5
193.05049	42.6
193.08809	1.5
193.26216	1.3
195.06619	32.6
195.08302	2.1
197.08183	14.1
210.05312	6.2
211.06108	2.2
215.09253	10.7
225.07698	5.4
235.06110	1.8
239.09216	1.6
245.09351	1.7
257.10291	1.5
347.11453	1.8
377.12476	1.4
419.13501	36.4
461.14429	1.4
468.49484	1.3
521.59717	1.3
539.19836	2.2
581.20660	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	581.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74002	0.4
55.80985	0.4
63.88840	0.4
81.35106	0.4
83.71918	0.4
108.02157	18.1
112.68211	0.5
123.04500	15.5
149.41129	0.4
152.01137	61.4
155.70413	0.4
166.02664	0.6
167.03479	100.0
174.00229	0.5
181.04967	0.5
181.40730	0.5
219.72559	0.5
221.06496	0.4
502.64520	0.5
507.75110	0.5
521.16858	0.4
581.18774	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	581.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42876	0.7
51.46700	0.8
56.39883	0.9
59.01377	100.0
68.86753	0.9
76.84772	0.9
90.25066	0.9
92.19392	1.1
149.02454	1.5
150.03220	2.0
151.03934	1.5
153.09134	1.4
164.04765	6.6
165.05562	10.6
179.07092	1.4
208.03763	4.8
223.06134	4.5
269.08093	3.9
296.10501	1.1
299.09100	5.6
309.14810	1.1
311.09180	11.8
314.11572	36.3
326.11591	23.3
329.13940	72.3
341.10016	2.0
341.13940	35.1
359.14914	7.3
419.13477	2.5
553.55151	1.5
581.18585	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	581.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54644	1.6
54.36880	1.6
56.42371	1.7
59.01379	16.3
65.42808	1.7
71.01376	3.9
73.02946	2.7
81.29105	1.8
85.02963	2.4
89.02413	2.6
101.02428	4.4
113.02457	3.7
115.57972	2.0
136.78810	2.0
149.02415	15.2
150.03210	36.7
152.01042	2.1
161.04469	2.2
163.03972	2.7
164.04776	42.8
165.05550	100.0
179.07126	15.1
180.04324	7.1
193.01358	3.4
195.06682	22.3
208.03754	67.5
221.06569	2.8
223.06111	97.6
280.07474	2.5
371.11044	2.2
419.13492	66.2
451.18268	4.5
493.19284	7.2
581.18488	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	581.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.5
69.24773	2.4
71.01372	2.8
72.99310	2.3
73.02937	2.8
73.87074	2.0
74.02477	2.3
75.04252	2.1
85.02937	9.1
101.02418	8.8
113.02451	2.4
115.34587	2.5
122.03732	3.1
133.02943	4.0
149.02391	16.1
150.03229	48.8
157.28983	2.4
164.03520	3.8
164.04782	49.8
165.05554	85.6
167.03403	2.3
167.41922	2.0
172.05267	7.9
175.07625	4.5
179.07133	12.2
180.04251	9.9
181.08765	3.0
187.07634	23.5
190.06392	3.5
193.01442	3.8
195.06647	18.6
205.08684	15.6
208.03786	64.6
223.06117	100.0
237.74971	2.0
245.09363	2.5
246.09711	3.1
314.11505	3.7
325.12991	2.7
329.14133	22.2
341.13925	5.3
359.14941	28.7
364.12848	2.2
419.13550	24.3
473.18402	17.3
491.19598	2.4
521.20135	2.2
533.20447	17.7
581.20026	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	581.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28577	0.7
53.85824	0.7
56.79148	0.6
74.01316	0.6
75.74490	0.7
76.52119	0.7
87.00862	1.1
96.96017	1.1
107.05014	10.1
121.02918	0.9
128.57155	0.8
133.06543	6.3
135.04425	1.6
149.06064	20.4
153.06670	0.8
177.04118	1.2
177.05551	25.0
177.13223	0.8
179.03490	48.0
195.06635	3.5
239.05600	100.0
383.20468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50172	0.8
69.15025	0.8
70.37198	0.9
87.00858	1.8
90.07441	0.9
92.19914	1.7
107.05022	11.9
121.02910	1.7
128.58423	0.8
133.06584	4.7
135.04504	1.0
135.26680	0.9
149.06053	21.6
164.61079	0.9
177.04120	1.3
177.05568	26.3
179.03488	55.8
179.99788	1.1
195.06648	3.7
221.04546	1.4
236.04532	0.8
239.05600	100.0
424.63428	0.9
505.49918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
62.88869	1.9
63.55983	1.9
71.01369	39.1
73.02935	21.7
83.01405	5.1
85.00332	1.9
85.02951	15.2
87.00854	3.2
89.02435	26.7
99.00851	4.2
99.59818	2.4
101.02430	45.1
113.02449	27.0
119.03472	12.1
125.02422	4.0
128.32925	2.5
131.03481	10.0
133.01472	2.1
143.03494	3.7
147.96715	1.9
161.04526	19.0
203.05608	3.6
221.06700	17.6
263.07645	12.3
280.95917	2.4
391.15802	2.7
409.16992	4.5
433.17215	10.6
451.18106	46.5
493.19214	40.8
537.22205	4.4
581.22888	2.9
581.32092	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	581.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56007	1.1
55.27283	1.1
56.25999	1.1
76.04796	1.2
93.03473	1.7
96.95995	15.1
102.05492	1.2
107.05009	14.1
113.02380	1.7
133.06573	6.2
135.04472	1.5
135.24033	1.2
149.06061	24.5
177.05550	27.2
179.03499	51.7
195.06638	6.6
234.67822	1.4
239.05609	100.0
513.79913	1.4
581.18427	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	581.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18246	3.3
59.01368	6.6
69.06037	3.4
74.07469	4.5
80.45402	3.7
109.78115	3.5
113.02436	5.4
117.26492	3.7
123.04491	7.2
125.02426	29.2
125.82117	4.1
126.37574	4.7
134.03719	24.5
135.04526	5.0
137.02429	18.2
149.06055	22.7
150.03268	4.8
165.01968	4.8
165.05486	5.0
167.03497	68.3
178.02695	19.1
179.03462	19.1
180.04306	18.1
189.04001	4.0
193.05040	78.5
195.06631	37.5
197.04520	23.4
209.04546	90.1
225.07597	7.9
239.05591	100.0
269.06613	40.3
281.06674	7.5
312.71420	4.3
358.10522	8.3
359.11536	31.6
371.07425	8.5
373.12991	51.2
389.12344	24.2
401.08698	7.9
404.14694	23.1
419.12283	11.6
419.17657	71.6
430.37265	4.1
461.10623	8.8
491.12000	37.6
491.18082	4.6
581.14722	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64194	1.1
50.79679	1.1
51.45835	1.4
54.42672	1.2
55.14212	1.2
60.90616	1.2
81.03446	2.1
83.01372	3.5
89.22052	1.3
93.03442	1.4
97.02895	1.6
111.04542	1.9
111.48306	1.6
113.02422	2.7
116.89833	1.2
117.03460	1.8
123.04487	17.3
125.02454	20.5
135.04501	1.6
137.02467	5.3
138.52142	1.4
151.55518	1.5
153.05597	1.5
155.03493	1.7
165.05542	2.8
167.03474	60.7
179.03537	12.5
197.04539	22.9
209.04544	100.0
221.04459	9.4
239.05597	89.3
247.59096	1.3
250.29163	1.4
251.05624	2.2
269.06677	32.8
281.06555	6.5
299.07678	3.5
311.07706	3.0
329.08838	10.3
371.07724	23.2
401.08655	18.2
407.58148	1.5
419.12082	7.9
431.09906	6.2
433.94287	1.5
461.10904	23.1
473.10672	2.0
491.11893	17.7
530.48499	1.5
563.13898	2.9
581.15131	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	580.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40111	0.6
51.62599	0.8
56.93393	0.7
59.01380	9.0
60.76895	0.7
61.98816	9.4
62.47840	0.8
63.99244	1.3
78.95898	6.4
80.20058	0.7
92.19992	0.9
94.55331	0.7
110.19498	0.8
134.05254	0.8
143.71376	0.7
152.99503	1.2
168.04355	3.4
202.61806	0.7
224.06952	7.9
281.24850	100.0
359.17560	0.9
432.26941	0.8
506.32483	58.8
580.36951	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	580.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15837	4.2
65.83858	5.2
74.47350	4.9
260.60266	5.5
305.24908	100.0
528.64935	5.7
530.32599	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.9
60.64965	0.7
61.98830	6.0
61.99084	0.7
63.99262	0.6
65.25030	0.6
78.88586	0.7
78.95894	3.9
82.95410	3.0
83.02508	6.2
87.86964	0.7
101.20963	0.7
104.23391	0.7
109.78269	0.7
115.48867	0.7
115.50877	0.7
117.50763	0.8
132.64316	0.8
188.96141	0.8
218.73070	0.8
218.93884	0.8
224.07008	0.9
281.24866	100.0
305.24887	1.3
325.75327	0.8
450.19357	0.8
494.46173	0.8
506.32520	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1242
Annotation	Ningalin C
Peak:m/z	Relative Intensity
56.90046	2.1
59.01356	2.9
59.60240	1.9
61.98822	5.0
65.10921	2.2
71.01352	3.4
86.18076	2.4
87.00853	17.5
94.14928	2.4
96.96001	28.6
99.00873	2.8
117.01927	3.4
125.02381	2.8
142.89201	2.3
159.02959	3.3
161.04524	25.1
176.01715	4.7
179.05612	18.3
190.03419	2.6
191.00467	3.3
192.01225	18.4
201.99675	3.6
204.04875	4.7
216.01070	3.0
216.71544	2.7
230.02788	11.5
238.03288	2.7
248.03769	4.6
274.01794	4.7
287.08618	8.7
292.02994	2.6
313.06580	19.9
338.05957	3.0
347.20050	2.6
355.50366	2.7
356.07092	4.1
386.59030	2.4
580.03247	3.6
580.12445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3542
Annotation	Tokoronin
Peak:m/z	Relative Intensity
51.26895	14.6
54.73150	16.0
59.01376	40.1
70.78902	15.9
76.23034	16.1
84.17636	15.3
103.03976	90.6
165.52393	20.6
200.05415	17.8
307.91574	16.3
428.35666	20.5
431.31750	22.1
483.02942	18.4
579.35455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61963	2.1
51.98506	2.2
52.71572	2.2
52.75775	2.4
59.01384	27.8
67.27785	2.5
67.66347	2.6
70.59602	2.5
71.01365	4.7
72.00892	3.7
73.02949	3.6
73.59176	2.2
83.02515	15.8
85.02921	3.7
93.03452	4.9
101.02441	5.9
108.08175	3.6
109.75834	2.5
113.02410	4.1
116.05066	3.8
116.07130	12.8
118.06599	5.7
119.04996	35.0
124.07635	10.8
134.06137	22.3
136.07660	3.1
139.08720	6.1
146.06116	5.7
148.03990	3.1
152.07213	3.0
153.06636	2.9
153.10292	4.4
155.08224	16.0
155.10759	12.6
160.04073	3.2
161.07176	13.6
162.05618	15.3
163.04012	25.0
167.28833	2.6
168.06627	12.8
169.09848	2.7
171.05600	11.7
180.06645	71.7
189.06737	19.9
196.08682	2.6
200.05910	15.6
200.10765	3.7
205.13472	11.3
229.13477	3.0
238.11194	2.9
243.11366	28.1
245.09061	3.2
249.12415	4.2
255.30782	2.9
256.14420	10.9
261.09882	4.5
261.12421	82.8
287.14044	3.5
295.18161	48.0
331.13037	5.6
339.17120	74.8
405.29599	3.4
438.21957	2.8
448.19095	3.4
476.25400	10.9
520.24548	100.0
535.19653	14.8
579.34094	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	579.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24162	2.1
59.01372	3.9
61.98828	83.4
71.01373	5.7
78.98610	3.2
80.96501	44.6
92.19341	4.0
94.98067	12.1
95.68781	2.3
101.02464	3.3
122.97525	2.5
125.02419	4.1
134.97531	3.3
148.99104	10.7
152.98618	9.6
164.98618	14.9
182.99731	3.3
206.99820	3.8
225.00708	24.5
277.21616	5.0
278.21970	3.6
279.22781	4.2
358.51361	2.5
502.29926	2.8
503.43561	3.1
505.30496	10.1
579.28558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29749	2.1
58.55992	1.6
59.01379	56.1
60.56371	1.9
61.92880	1.9
64.20374	1.7
64.58160	1.6
67.01097	1.9
71.01384	19.8
73.02927	6.9
83.01373	2.7
85.02933	10.3
89.02423	3.3
90.41431	2.0
99.00866	3.2
101.02406	18.7
113.02422	13.8
154.56325	2.1
200.41704	2.0
214.46390	2.3
287.20135	49.8
313.23813	10.3
331.19116	2.6
331.24899	44.1
431.24329	2.6
475.23041	2.5
475.29019	15.4
493.30182	41.9
535.24945	38.9
535.31323	100.0
579.33936	3.1
604.24731	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01085	1.9
59.01376	50.8
71.01369	19.4
73.02943	5.5
75.00850	1.3
75.99329	1.3
85.02916	12.5
87.00863	2.6
89.02420	8.4
97.79449	1.5
99.00860	2.7
101.02420	17.5
113.02431	9.4
154.23352	1.4
192.66470	1.4
295.22528	1.6
313.23807	6.7
331.24850	32.6
375.27228	2.7
385.07166	2.0
475.28967	13.0
478.73724	1.6
493.30188	45.2
519.24243	6.8
519.31287	2.0
535.23846	8.3
535.31232	100.0
579.34265	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	579.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23604	0.6
51.21954	0.6
56.80701	0.5
61.98824	1.5
70.94727	0.7
71.01378	5.4
78.98580	4.7
79.95727	2.9
80.96508	51.4
81.03448	1.0
85.02959	1.6
87.00870	1.8
89.54509	0.7
94.98076	13.7
97.02936	1.5
101.02435	3.2
106.98072	4.2
112.41255	0.7
122.97546	3.9
125.02425	5.2
134.97604	5.1
136.99133	1.5
143.51982	0.7
146.97615	1.0
148.99104	9.2
152.98599	10.1
153.19562	0.9
157.58611	0.7
157.59886	0.7
159.51852	0.7
164.98615	18.6
182.99652	3.5
206.99699	4.5
225.00728	26.7
243.01820	1.6
279.23236	4.1
283.65805	0.8
284.76364	0.8
299.04306	5.4
317.05368	0.9
346.56253	0.9
394.01959	0.8
406.84723	0.8
579.28455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40787	0.5
56.67282	0.6
62.41764	0.6
71.01376	5.8
71.50656	0.6
72.15932	0.6
72.99273	0.8
73.02937	1.2
75.89536	0.6
78.98569	4.1
79.95720	5.2
80.96505	53.1
85.02922	3.3
87.00848	4.1
94.98071	16.7
97.02919	2.7
99.00874	0.7
101.02409	3.5
106.74523	0.7
106.98052	3.8
122.97543	3.5
125.02419	6.6
127.03970	1.3
134.97588	5.0
136.99103	2.7
148.99144	9.3
152.98608	9.3
164.98622	19.9
167.00195	1.2
177.11450	0.6
182.99683	0.8
193.00404	0.8
206.99689	5.4
225.00729	26.3
269.23660	0.6
279.23181	4.7
299.04272	5.1
397.67514	0.7
533.47711	0.7
579.28436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73679	2.1
54.36872	1.8
58.53473	2.2
59.01371	33.0
71.01373	42.2
73.02930	5.8
74.78050	1.9
83.01387	2.3
85.02930	17.0
87.00871	3.4
89.02432	36.4
95.01360	3.4
95.81401	2.4
96.95986	15.6
97.52193	2.1
99.00900	2.9
101.02441	42.4
113.02423	27.2
119.03465	11.1
131.03442	3.0
161.04524	16.9
189.05577	2.9
219.13866	10.4
402.12811	3.2
417.15820	5.3
417.21237	20.0
487.36871	2.7
575.36670	2.4
579.18402	6.8
579.26648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06578	1.1
55.01863	1.7
56.08229	1.1
58.57430	1.1
59.01377	25.4
61.61300	1.1
71.01378	30.4
73.02933	7.5
75.11262	1.1
79.58190	1.2
85.02924	7.6
87.00854	8.7
89.02424	23.6
97.36141	1.1
99.00848	1.4
101.02424	21.9
102.12163	1.2
113.02424	16.7
119.03463	10.9
131.03453	14.1
135.04486	5.6
137.64020	1.3
143.03426	2.3
159.02997	1.6
161.04530	20.7
163.03951	7.4
175.14891	17.2
179.05565	2.2
207.03015	10.1
219.13806	1.6
221.06639	12.3
538.52490	1.3
579.26605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08354	1.3
51.26093	1.3
59.01377	42.0
64.42195	1.4
71.01375	37.8
73.02935	11.6
78.77691	1.6
83.01374	3.2
85.02928	17.4
86.14217	2.0
87.00861	6.7
87.47630	2.2
89.02428	25.5
91.05535	2.2
96.95987	3.5
99.00868	6.8
101.02425	36.5
113.02438	25.6
115.00366	1.9
119.03469	8.9
119.89887	1.7
120.93857	1.5
131.03456	3.9
135.04597	2.2
135.05629	4.0
136.03978	2.1
143.03586	2.3
161.04532	12.7
189.05545	23.1
189.12817	3.1
207.07704	2.7
219.13960	10.6
221.06711	3.2
225.14729	2.1
273.10635	1.8
328.76688	1.8
339.08801	7.4
354.11194	7.9
369.09802	3.1
387.10739	3.8
402.13324	6.7
417.15625	61.7
417.21359	26.3
579.19177	8.4
579.26764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43604	0.3
59.01385	1.4
65.91730	0.4
69.44177	0.4
71.01390	0.6
73.02936	1.6
78.95895	0.8
79.95737	0.6
89.59715	0.5
90.95083	0.4
92.19947	0.5
96.95996	100.0
96.96882	5.5
101.02445	1.6
123.04519	2.6
141.10054	0.5
143.03452	0.4
155.33839	0.4
167.03474	11.9
167.04799	0.6
179.50002	0.5
231.09569	0.4
290.49869	0.4
311.17032	0.4
330.88068	0.4
338.10266	6.3
341.74005	0.4
360.04623	0.4
380.27563	0.5
425.57321	0.4
459.86612	0.4
491.13950	0.7
516.43683	0.4
535.16840	0.6
579.15137	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	579.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01085	1.8
59.01378	40.7
71.01367	11.8
73.02938	34.9
75.00843	1.2
77.43832	0.9
83.01376	7.4
85.73584	1.0
89.02424	2.5
95.21735	1.0
100.92762	1.1
101.02428	27.5
113.02458	5.4
120.04495	1.8
123.04475	1.8
131.03465	1.4
137.04802	1.2
138.05597	16.6
148.04048	33.4
149.04541	1.6
155.10690	1.1
161.04568	4.0
165.04266	2.6
166.05083	100.0
186.19820	1.0
187.20032	1.1
195.06563	3.6
198.94081	1.1
261.12436	2.5
265.25589	0.9
269.12900	2.1
287.13910	2.1
331.13019	11.8
416.60327	1.2
519.31927	2.2
535.19092	45.4
535.25610	44.1
579.20325	1.8
579.33350	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	579.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72373	0.7
59.01381	9.3
71.01379	2.8
73.02937	1.6
85.02913	1.7
89.59303	0.7
91.75287	0.6
101.02421	3.0
113.02450	1.6
166.02725	0.8
181.05057	4.1
283.17065	2.9
295.17020	1.4
301.18164	12.0
301.92795	0.6
305.78983	0.7
313.18039	5.0
331.19144	8.1
355.67239	0.7
417.15601	3.3
445.22391	5.3
457.22409	3.5
463.23389	10.5
475.16647	0.9
475.23428	24.4
484.02670	0.8
493.24387	22.4
505.24564	4.6
517.24506	5.5
519.31897	2.7
535.25507	100.0
579.34247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.4
59.01379	73.8
66.95564	2.1
71.01373	43.6
73.02936	20.9
79.92581	2.5
80.21420	2.3
83.01380	4.6
85.02940	21.2
89.02448	17.7
90.43145	2.2
95.01346	3.0
98.54904	2.6
99.00888	3.9
100.03392	2.8
101.02451	37.6
113.02419	28.4
119.03510	4.2
125.02464	2.7
147.67065	2.5
161.04535	13.4
167.03258	2.7
193.05118	2.7
198.86041	2.4
208.03827	2.9
223.06145	6.3
357.09616	3.3
373.18579	10.3
417.11963	6.0
475.21841	5.5
484.61551	3.0
493.22900	27.9
535.24011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43584	0.3
54.46881	0.3
59.01381	0.4
60.49193	0.4
66.34780	0.4
80.71470	0.4
87.00843	0.4
96.96024	0.4
101.02431	0.4
112.80225	0.4
123.04473	1.6
134.02440	0.4
135.04512	18.9
152.01151	0.9
152.46159	0.4
159.10712	0.4
161.02431	0.5
167.03499	2.3
193.05051	1.4
207.11382	3.0
249.12439	100.0
264.89706	0.5
579.15656	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	579.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20468	0.5
50.67240	0.5
51.57277	0.5
59.01371	11.8
63.01239	0.6
71.01378	7.7
73.02924	0.7
76.94154	0.7
81.42460	0.6
85.02908	0.7
87.00848	1.2
89.02422	14.8
95.05008	14.7
96.67088	0.6
101.02432	7.4
109.68567	0.6
113.02404	4.4
119.03455	6.3
126.85826	0.6
135.08141	6.1
143.03481	0.8
149.09711	5.1
151.11270	48.2
166.02704	3.0
177.09195	17.2
179.05600	4.0
181.05048	5.8
195.10255	100.0
323.10092	1.3
329.53110	0.6
341.10858	38.7
378.57684	0.8
387.10544	1.0
417.15472	7.8
519.20850	9.8
568.64551	0.7
579.22845	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46013	1.4
58.02983	2.9
59.01380	100.0
70.02969	6.8
70.80294	1.4
70.97024	1.6
74.02466	31.0
87.66396	1.6
90.23019	1.6
97.70001	1.7
98.02452	3.0
116.03520	15.2
116.05042	8.0
131.16786	1.6
161.83850	1.5
190.06339	2.5
201.10320	3.8
203.08272	59.1
206.68700	1.6
245.09322	79.7
268.11304	1.9
283.09747	2.6
289.08408	2.7
294.08984	2.2
297.07611	8.4
309.07648	24.7
309.11307	11.3
311.05591	1.9
312.10056	28.9
324.10059	36.6
327.05252	1.7
327.12363	62.6
339.12372	58.6
342.07181	2.1
345.09662	2.1
357.09717	7.9
435.15378	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	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64029	2.1
59.01373	5.4
64.12330	2.2
71.01378	8.2
75.00811	2.3
85.02959	2.4
89.02428	3.9
101.02447	4.6
113.02454	3.3
119.03417	2.4
129.09821	2.2
150.26675	2.4
201.05600	5.0
218.05922	2.4
233.08240	3.0
323.09232	14.3
324.06509	19.6
339.08704	97.4
353.10187	9.2
354.06998	3.8
354.11099	62.1
357.09778	3.6
369.13535	21.6
371.11154	3.0
372.11685	2.8
373.12534	2.9
399.14459	100.0
417.15640	37.5
535.20032	4.2
579.20612	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	579.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73299	4.0
53.37354	4.1
54.89177	4.1
59.01377	48.6
71.01376	54.8
72.92562	4.4
73.02946	22.4
74.83123	5.2
85.02929	7.4
87.00883	7.1
89.02430	48.5
96.96046	6.6
101.02438	53.5
113.02442	29.6
119.03445	6.3
124.00715	5.7
131.03481	12.3
149.04688	6.4
156.30469	5.7
161.04539	19.8
166.02702	58.3
179.05617	11.1
181.05069	100.0
221.06644	27.5
263.07700	11.8
387.10736	25.3
417.15594	97.6
535.20160	73.5
579.30988	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18172	1.1
59.01379	100.0
63.55119	1.3
69.58752	1.3
70.02983	1.2
71.01366	1.9
74.02470	2.0
74.91431	1.2
89.02432	1.6
92.19365	2.8
101.02436	1.8
113.02406	1.8
116.03541	1.4
128.91635	1.2
161.04590	1.7
179.05548	1.5
190.06335	2.0
193.05063	5.9
203.08273	5.5
206.37001	1.5
225.23460	1.3
245.09282	9.7
269.63354	1.5
278.09402	1.8
279.06445	1.8
292.07239	1.8
294.08939	2.4
296.10431	2.2
297.07623	5.1
308.10617	1.4
309.07693	19.9
309.11411	5.9
312.09979	20.1
319.97104	1.3
323.09097	1.9
324.10052	27.4
327.12366	57.2
339.08405	2.5
339.12360	48.8
345.09653	1.8
357.09711	1.9
357.13608	2.2
370.98248	1.3
417.11777	5.3
535.23645	1.6
579.16254	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	579.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99048	2.0
59.01377	42.2
62.09283	1.7
64.74082	1.7
65.25224	2.2
71.01379	45.2
73.02925	15.1
83.01378	8.2
85.02951	17.0
87.00858	10.1
89.02435	32.4
92.19302	4.3
95.01399	2.8
95.04989	3.8
99.00904	3.6
101.02425	47.0
107.08655	4.6
113.02441	38.6
119.03482	11.3
130.72505	2.3
131.03481	11.1
131.07141	5.0
136.80472	2.0
143.03444	2.3
151.11276	18.6
159.03020	3.6
161.04552	23.1
177.09206	8.3
179.05579	2.7
181.05099	3.6
195.10274	42.8
217.19258	2.1
221.06792	15.3
275.29483	2.2
331.08585	2.1
341.10913	13.3
519.20685	4.0
535.20270	100.0
579.22583	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	579.1879
Annotation	Kadsuphilin C
Peak:m/z	Relative Intensity
62.53720	12.2
91.96090	9.5
123.04514	15.6
134.06853	12.0
150.03168	15.4
156.45038	13.6
177.05548	26.1
178.02737	24.1
193.05000	66.3
321.07635	44.2
337.07242	19.4
340.09518	40.5
349.10651	12.0
355.11783	14.1
407.60608	13.1
508.64810	11.3
579.18457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99048	2.0
59.01377	42.2
62.09283	1.7
64.74082	1.7
65.25224	2.2
71.01379	45.2
73.02925	15.1
83.01378	8.2
85.02951	17.0
87.00858	10.1
89.02435	32.4
92.19302	4.3
95.01399	2.8
95.04989	3.8
99.00904	3.6
101.02425	47.0
107.08655	4.6
113.02441	38.6
119.03482	11.3
130.72505	2.3
131.03481	11.1
131.07141	5.0
136.80472	2.0
143.03444	2.3
151.11276	18.6
159.03020	3.6
161.04552	23.1
177.09206	8.3
179.05579	2.7
181.05099	3.6
195.10274	42.8
217.19258	2.1
221.06792	15.3
275.29483	2.2
331.08585	2.1
341.10913	13.3
519.20685	4.0
535.20270	100.0
579.22583	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	579.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70752	0.8
59.01381	25.9
59.20112	0.9
60.07782	0.9
60.61691	0.8
68.99841	1.2
69.52184	1.0
69.56650	1.0
70.27605	1.0
71.01381	7.3
72.04636	0.9
73.02923	11.4
83.01385	1.4
85.02946	1.3
87.29394	1.1
89.02429	5.0
96.04572	3.6
98.09378	1.2
101.02437	10.9
113.02415	4.3
116.92873	1.6
120.04510	1.2
121.86877	1.1
123.04495	4.6
124.07606	1.3
127.03922	1.2
135.04504	2.1
136.04094	1.0
136.05272	1.9
137.04794	1.9
138.05605	12.3
143.03584	1.1
148.04024	30.8
151.07610	1.2
164.07161	2.2
165.04289	1.8
165.07854	1.9
166.05074	100.0
182.02171	1.1
195.06607	19.5
197.04587	1.9
217.13429	1.3
225.07668	1.8
246.38834	1.2
261.12408	6.2
269.12622	1.3
287.13931	1.5
325.28482	1.2
331.12915	11.7
405.21326	1.2
535.19043	48.3
535.25372	5.7
579.21021	21.9
579.29626	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	579.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	6.2
61.25661	0.9
70.02973	7.4
74.02466	41.4
80.16312	0.9
92.42361	1.0
95.34426	1.1
98.02457	6.3
116.03522	24.9
116.05019	8.5
120.89689	0.8
125.36943	1.1
142.06602	1.5
159.09180	3.6
186.05681	1.7
201.10339	5.3
203.08263	71.1
211.43124	1.0
230.39163	1.0
245.09303	100.0
256.95935	0.9
289.08322	3.9
546.10297	1.1
602.42133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22556	0.9
54.07304	1.0
56.32920	0.9
57.03434	1.7
59.01374	68.1
65.96928	1.1
65.99877	1.0
67.54193	0.9
71.01356	4.3
80.28832	1.1
85.02934	4.9
87.00858	100.0
89.02417	2.3
113.02381	1.3
126.57593	1.3
129.01903	18.7
133.05013	5.2
193.07190	31.3
197.16214	1.1
197.75912	1.0
237.03952	2.2
237.06154	45.4
298.16217	1.1
341.10977	9.5
523.88782	1.2
594.39874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07078	0.6
59.01374	1.5
59.23039	0.7
70.03143	0.6
87.00856	1.4
89.02402	1.6
91.01826	0.8
96.95998	58.4
96.96933	1.5
101.02431	1.8
108.02183	3.1
113.02444	2.7
123.04505	19.3
152.01178	1.3
167.03488	100.0
172.64146	0.7
193.05055	1.4
209.04477	2.8
220.00674	0.9
231.33723	0.7
269.06680	1.0
284.46692	0.8
338.10095	1.2
491.13962	10.1
579.15619	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56402	1.0
59.01382	18.4
61.98810	1.2
71.01370	7.0
73.02934	7.3
80.77164	1.4
83.01360	1.8
85.02934	5.5
89.02442	1.8
89.72878	1.2
101.02423	10.0
101.69109	1.2
107.05009	6.4
113.02447	6.4
129.77574	1.4
134.03703	7.6
135.04515	17.6
137.02441	3.1
149.02408	6.4
150.03142	4.8
151.00327	1.3
151.04027	1.9
152.04779	3.2
161.04436	1.4
163.04008	32.5
164.04753	7.8
165.05611	2.6
166.02690	46.0
167.03461	1.9
175.26605	1.5
179.07001	1.6
180.04250	6.1
181.05060	100.0
190.02769	2.0
190.06375	1.6
191.03456	1.6
194.02228	2.6
194.05849	6.2
195.06624	16.1
205.08739	1.4
207.03011	25.2
207.06601	1.4
208.03720	6.8
209.04541	7.5
209.08220	7.8
223.06050	8.3
271.16949	1.6
301.18137	1.9
373.12747	2.4
387.10852	23.7
387.53415	1.4
402.13293	10.2
417.16037	75.9
463.23239	1.8
519.31622	2.1
535.25214	25.7
579.17267	10.1
579.26599	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	579.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
62.76078	1.5
71.01367	7.0
71.89507	1.5
73.00739	1.5
84.33189	1.6
87.00871	17.6
115.00355	32.8
121.04054	79.5
122.02460	15.6
131.06073	1.8
132.60913	1.8
132.82378	1.7
139.46640	1.6
149.07184	10.3
161.02411	10.1
175.05122	14.5
175.06413	2.0
179.03452	2.8
193.06123	37.1
214.53156	1.8
219.04108	2.3
237.05089	100.0
275.09467	1.7
333.24911	2.0
341.08746	9.1
351.79333	1.8
509.49493	1.8
531.79962	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55417	1.2
56.67208	1.7
59.01378	11.6
62.93880	1.2
64.65399	1.3
71.01373	12.0
87.00862	20.7
92.57081	1.4
115.00359	28.0
121.04060	79.3
122.02457	19.3
129.01945	3.2
149.07213	11.5
161.02446	8.6
175.05101	24.1
177.22687	1.5
179.03387	1.8
193.06160	35.0
219.04185	2.3
237.05118	100.0
318.23776	1.7
341.08847	3.5
375.91577	1.7
555.85315	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66943	0.3
59.01380	7.5
60.38729	0.4
62.94958	0.4
78.68076	0.3
78.95901	1.8
82.46841	0.4
141.49458	0.5
152.99626	0.7
168.04321	0.7
179.87364	0.4
224.07089	0.7
242.07938	1.5
279.23297	100.0
389.42480	0.4
504.31021	44.5
569.63007	0.5
578.35101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21320	1.1
59.01375	9.3
61.27795	0.8
61.98803	0.8
62.83995	0.8
65.83422	1.0
68.24115	0.9
78.95901	9.0
80.12440	0.8
91.34673	0.8
113.35629	0.9
152.99530	1.6
156.56984	0.9
168.04309	1.7
224.06877	7.6
242.07991	1.9
279.23279	100.0
291.43439	1.1
319.54822	0.9
352.24734	1.1
504.30942	70.5
578.35077	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	578.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82219	0.6
51.31660	0.6
55.85885	0.6
57.68550	0.6
59.01368	0.8
61.98829	100.0
71.59322	0.6
79.19477	0.7
181.06863	0.7
279.23294	4.0
280.23648	5.9
281.23926	2.8
282.24280	1.0
335.35007	0.9
373.31702	0.8
386.46933	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	578.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91488	1.2
55.51985	1.2
55.67319	1.2
59.13657	1.3
60.07456	1.4
61.98824	100.0
77.94559	1.6
125.58655	1.7
153.60406	1.9
279.23294	5.6
280.23590	2.0
328.01651	1.4
350.56122	1.7
448.16360	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	578.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40477	1.0
54.62465	1.0
55.38369	1.4
58.02978	11.0
70.02962	8.2
85.13027	1.3
91.05519	12.4
147.04512	23.7
164.05771	2.4
164.07164	87.6
206.08220	100.0
250.07201	2.1
330.29196	1.3
418.85934	1.3
578.24072	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	577.4242
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
57.21302	2.8
89.24319	3.1
89.66073	2.5
140.99348	2.8
181.07571	2.5
277.21725	100.0
577.42340	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12481	1.2
51.14536	1.4
56.54218	1.5
59.01375	12.4
59.01622	1.5
64.09698	1.3
71.01369	10.1
73.02925	6.0
85.02927	3.2
87.00854	18.7
89.02413	9.9
99.00834	1.8
101.02441	12.9
101.45589	1.8
106.66854	1.5
111.00838	3.2
113.02441	12.4
122.06083	11.1
129.01974	2.8
131.03467	3.1
134.06116	22.0
135.93237	1.7
136.07666	3.6
141.01874	1.7
143.03406	1.9
150.05589	62.6
152.07143	7.5
161.04517	3.9
164.07095	1.6
176.07144	6.4
192.06648	2.2
193.00435	1.6
221.06712	2.6
314.12610	2.5
354.11703	2.1
516.17145	13.3
534.18268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3384
Annotation	Gagunin G
Peak:m/z	Relative Intensity
51.47931	1.0
59.01377	50.6
61.98825	1.6
65.39030	1.0
71.01371	1.8
75.88828	1.0
85.02938	4.8
87.04478	1.5
99.04539	1.2
101.02432	1.9
112.01637	2.1
113.02428	2.4
116.04760	1.4
130.02713	2.8
133.97362	1.2
135.00066	1.2
168.76257	1.3
212.96280	1.3
236.17313	1.1
401.26923	2.4
413.26941	1.5
442.45081	1.3
455.31570	5.5
529.31519	1.4
547.32642	6.9
577.33875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	85.7
60.22336	5.4
71.01372	12.2
74.93135	5.4
79.38834	5.4
83.64727	6.0
98.08303	5.7
101.02481	11.2
113.02475	6.7
119.87378	5.8
533.22650	12.0
533.29791	100.0
577.32904	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	577.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03445	3.5
59.01376	20.0
60.75330	0.6
69.03438	0.8
69.16774	0.6
71.01372	21.6
72.99300	3.7
73.02940	3.2
74.99103	0.6
75.00861	22.7
78.93871	0.6
83.01372	2.5
83.33950	0.8
85.02938	33.5
87.00872	7.3
89.02417	7.3
95.01385	4.7
97.01092	0.7
97.02995	0.7
99.00855	8.3
101.02431	9.3
103.00330	0.7
106.72721	0.8
107.95434	0.8
109.77566	0.6
111.00888	1.1
113.02433	34.0
115.00337	2.7
117.01917	1.6
119.03503	0.7
129.01910	0.6
148.83708	0.7
157.01341	0.8
173.04518	0.8
204.78944	0.6
250.03149	0.7
334.91458	0.7
509.18405	0.7
533.22681	1.5
563.45129	0.7
564.99847	0.7
574.12543	0.9
577.28766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31354	2.8
53.40052	3.2
54.11375	2.6
56.90630	3.1
59.01382	51.4
60.74205	2.7
60.93958	2.8
71.01379	16.1
73.02930	4.7
75.00854	5.9
79.47889	2.7
85.02944	15.9
87.00861	4.1
89.02422	6.1
92.19970	3.4
92.40482	2.9
97.26697	3.2
98.18130	3.6
101.02425	15.0
104.02102	3.5
108.53790	3.2
113.02440	16.4
153.02063	3.2
162.61787	3.0
201.11386	26.9
329.23273	3.8
336.87314	3.4
385.03738	6.3
395.09622	3.2
400.06238	6.0
415.08521	5.3
473.27902	4.8
491.28726	19.7
533.22229	39.3
533.29742	100.0
553.58661	3.6
591.55133	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	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99668	0.6
71.01374	6.4
72.99270	0.8
73.02942	1.3
78.98595	4.7
79.95709	5.5
80.96510	51.4
85.02946	1.5
87.00849	4.8
94.98074	14.3
97.02908	1.0
101.02426	4.4
106.98077	4.6
122.97598	6.3
125.02434	5.9
127.03992	1.2
134.97565	5.0
136.99095	1.5
146.97583	0.9
148.99117	9.2
152.98610	12.2
164.97372	1.4
164.98615	23.2
179.21609	0.7
182.99652	3.2
206.99649	4.4
225.00764	26.9
243.01753	3.2
277.21750	5.7
299.04474	3.7
305.71594	0.8
555.82483	1.0
577.26917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2863
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.91870	1.6
55.01876	2.6
59.01094	3.0
59.01382	53.4
71.01379	43.0
73.02935	16.7
83.01372	9.4
85.02934	23.4
87.00868	2.8
89.02444	18.5
95.01387	2.5
99.00848	3.8
101.02431	50.7
113.02421	24.6
119.03493	8.8
123.65505	2.1
142.15230	2.2
143.03519	2.5
147.31366	2.0
161.04576	10.1
179.05725	2.3
262.91528	2.1
415.23294	2.5
504.86304	2.0
535.27637	17.1
542.60474	2.3
577.28711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.7
60.41500	1.2
63.96261	2.7
64.64860	1.0
65.53512	1.3
71.01379	1.2
74.44245	1.1
75.00869	1.2
79.28070	1.2
85.02923	2.0
87.00852	17.2
87.01293	1.3
96.96036	1.7
101.02444	2.2
113.02445	1.1
117.97289	13.5
123.04498	66.1
133.74158	1.2
134.03760	1.4
138.05598	2.8
149.06076	13.1
151.03935	1.9
152.04799	1.2
165.05536	21.3
193.05028	30.2
195.02925	28.8
195.04375	1.4
211.06177	2.2
247.10803	1.5
250.96475	1.2
255.05087	100.0
259.10880	2.5
321.10880	1.1
355.10431	5.2
577.18085	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	577.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.1
59.01378	24.3
61.89103	1.3
65.50275	1.5
71.01377	16.6
73.02928	2.1
75.00851	23.9
85.02938	26.5
87.00885	3.3
89.02399	2.6
95.01377	3.1
99.00874	11.1
101.02426	7.1
112.82764	1.6
113.02441	31.5
113.13917	1.9
145.21545	1.7
146.39615	1.9
154.77036	1.7
495.09091	1.7
533.22406	100.0
572.37714	2.4
577.28680	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	577.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.6
61.59466	1.5
71.01380	2.4
85.02917	1.4
89.02415	2.0
101.02404	2.1
123.04528	6.2
128.03510	3.0
147.60646	1.5
150.03195	2.0
165.05534	5.3
167.03539	3.0
175.23827	1.3
213.12558	1.3
285.03909	2.3
297.07602	12.1
311.05630	7.3
323.05591	2.9
324.06274	1.7
325.07187	13.8
335.05542	1.7
353.06686	65.2
365.06650	7.6
383.07736	37.4
395.07858	3.0
413.08807	1.8
457.11334	7.3
487.12579	2.9
577.15692	100.0
577.24469	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	577.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52110	1.3
59.01371	9.5
60.49450	1.3
61.01989	1.2
66.84164	1.7
69.77761	1.4
71.01379	10.9
72.00990	1.4
73.02937	3.3
83.91053	1.5
85.02950	2.9
89.02428	10.2
96.95982	17.8
98.95594	6.5
101.02420	14.0
108.02137	1.9
113.02410	10.1
119.03439	3.3
123.04487	23.2
131.03441	6.1
152.01125	2.3
161.04515	9.0
165.05605	1.6
167.03479	100.0
179.05542	3.0
193.06250	1.6
209.04541	12.9
221.06664	3.1
246.79802	1.5
327.05942	1.9
329.08701	2.3
371.09790	31.0
388.75208	1.5
515.13959	1.8
533.14893	16.0
559.30743	1.7
577.23059	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	576.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71666	0.4
59.01372	0.5
61.98829	100.0
90.39484	0.5
90.41685	0.4
124.63199	0.5
133.05365	0.6
184.61774	0.5
202.17775	0.5
297.45236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.7
61.98827	100.0
70.09297	0.6
72.57093	0.5
75.79897	0.4
77.76611	0.4
82.97311	0.4
95.16900	0.5
113.95909	0.5
122.68758	0.4
133.05347	0.5
139.25119	0.5
158.46895	0.5
182.39664	0.5
250.70770	0.5
275.59360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06343	0.4
61.40048	0.4
61.98828	100.0
72.67087	0.5
78.89693	0.4
79.32195	0.4
85.45264	0.4
109.17503	0.4
133.05367	0.8
146.86755	0.4
160.26843	0.4
248.14967	0.5
323.35764	0.5
350.28928	0.5
384.19122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.8
61.98829	100.0
62.57980	0.4
69.09155	0.5
83.67056	0.4
151.52545	0.5
213.34993	0.5
223.64072	0.5
273.98721	0.5
587.53021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27211	1.4
65.14272	1.5
76.90993	1.5
78.95894	10.7
99.28694	1.8
104.59048	1.9
126.63972	1.7
152.99580	7.5
179.89183	1.7
196.89447	3.1
209.10023	1.5
214.04820	2.0
248.64104	2.0
287.45670	1.7
347.25943	17.9
379.28571	100.0
576.19928	6.8
576.33179	34.8
578.82251	1.7
601.50165	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	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93481	0.8
54.48001	0.9
59.01379	12.0
61.54753	0.8
65.15874	0.8
73.86020	1.1
78.95896	5.6
97.18694	0.9
121.68865	1.0
148.54520	1.1
150.27382	1.0
152.45471	0.8
152.99588	1.3
171.87012	1.0
181.89232	1.1
224.06873	1.1
226.10240	1.0
277.21713	100.0
303.15060	1.1
317.99246	1.2
502.29404	60.1
576.32739	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50519	0.8
54.44217	0.8
59.01382	15.2
60.56508	0.8
64.21214	0.7
70.74345	0.9
74.20661	1.0
78.95891	14.4
87.95732	0.9
98.74982	0.8
115.94567	0.9
126.25584	0.9
136.70163	1.1
144.30211	0.9
152.67911	1.0
152.99591	5.1
168.04295	4.8
224.06900	11.0
241.27274	1.2
242.07961	1.4
277.21704	100.0
288.54150	1.0
492.64587	1.1
502.29404	83.5
576.32593	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	576.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13349	1.4
61.76782	1.5
61.98829	100.0
131.62173	1.8
138.67618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03308	0.4
53.93192	0.4
61.98825	100.0
76.49316	0.4
150.01581	0.5
174.66156	0.5
177.24174	0.5
225.52850	0.6
277.21817	0.9
278.22107	2.4
279.22446	0.8
283.75497	0.6
325.90173	0.6
346.25552	0.6
369.34195	0.5
399.45898	0.6
465.84146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09779	0.7
52.18832	0.7
57.44135	0.8
61.98826	100.0
66.02816	0.7
78.33118	0.9
96.08625	0.9
103.73231	0.8
142.70909	0.8
151.25883	0.8
272.37473	1.0
279.22180	0.8
394.71802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49635	1.0
61.25072	1.2
65.08807	1.4
70.34033	1.3
78.95898	51.0
96.95997	2.0
96.96954	3.3
98.95597	2.2
99.92556	6.9
100.93356	7.9
114.94897	8.3
115.92036	7.2
116.92822	5.3
126.93774	1.4
137.99554	1.5
140.01138	1.6
141.96013	14.3
147.48500	1.3
152.99576	72.0
156.17023	1.5
163.89693	2.7
164.90521	10.6
178.88417	8.5
179.89185	21.3
180.89980	8.0
181.90712	5.7
196.89456	23.1
204.92252	2.1
205.90775	5.6
205.93004	2.0
235.91869	10.3
279.23303	34.2
297.57596	1.5
433.24237	1.4
516.16309	2.6
540.18109	8.8
558.19305	11.8
576.20355	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	576.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	79.2
70.24818	3.4
78.95891	78.3
82.46915	3.6
92.19303	3.8
96.96946	6.2
99.92558	8.8
100.93340	5.6
115.92054	7.9
116.92768	4.5
141.95978	6.5
152.99577	64.0
163.89711	7.1
164.90460	5.4
178.88428	8.0
179.89207	22.0
180.90021	5.5
181.90887	6.1
184.02209	4.0
191.86586	3.9
196.89516	32.2
222.93378	4.6
243.81477	3.6
279.23291	26.0
347.25870	6.1
362.92578	4.6
364.70703	4.0
379.28549	43.9
558.19159	5.5
576.20428	100.0
576.30267	6.8
576.33075	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	576.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.0
69.62817	1.2
73.02938	2.7
92.19884	1.8
93.24637	1.6
96.95988	26.5
101.02435	1.4
108.02140	5.1
109.02943	1.6
123.04493	21.4
127.05104	8.2
128.03522	3.3
139.37608	1.3
149.02423	5.7
150.03207	36.6
164.03526	9.5
164.04713	1.7
165.05550	47.6
165.06908	2.2
169.09717	1.5
177.04253	2.0
178.05092	12.0
180.04160	5.5
191.74203	1.3
192.06689	10.9
194.05931	1.8
194.09323	5.9
195.06476	2.2
212.10376	21.7
230.11420	15.5
234.07588	1.6
236.44067	1.4
318.14423	1.8
320.12616	1.7
321.12973	9.7
336.15659	5.4
340.54300	1.4
362.13586	2.9
576.21979	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	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	3.4
61.71096	2.8
71.01392	3.9
120.14114	4.4
141.50958	3.7
177.56906	3.1
227.85097	3.2
242.21002	3.0
253.09361	15.4
253.24991	3.5
279.20404	5.5
279.23276	100.0
388.09961	2.9
515.32330	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	576.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	7.9
59.01360	5.1
62.27975	4.0
70.02980	3.8
72.51997	3.9
91.05533	20.3
96.95974	6.3
122.93890	4.8
131.13940	4.1
132.58630	4.5
147.04529	20.7
161.19569	4.6
164.07159	89.5
206.08226	100.0
489.59952	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	575.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32146	70.7
61.51825	72.7
61.84964	86.3
68.54565	73.7
86.47341	86.0
401.82193	82.6
588.81793	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	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14175	0.5
59.01371	7.1
63.96694	0.6
71.01387	1.3
73.02934	0.7
89.02422	2.5
97.41439	0.6
101.02444	1.6
119.03474	0.8
132.72990	0.7
145.57361	0.8
204.22951	0.7
253.09306	7.7
265.86288	0.7
279.23294	100.0
347.61819	0.7
515.32556	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	575.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38603	0.5
59.01372	6.8
60.53164	0.5
71.01362	1.0
72.22829	0.5
87.94537	0.6
89.02431	2.6
94.03597	0.6
97.33057	0.6
101.02420	2.3
113.02422	0.9
137.71973	0.6
232.25516	0.6
235.08363	0.9
238.02434	0.6
253.09267	8.0
279.23291	100.0
311.99872	0.7
515.32318	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87027	1.5
55.01852	1.9
59.01376	36.6
62.28626	1.7
66.94837	1.9
70.15571	2.1
71.01376	35.0
72.99293	1.9
73.02931	10.5
74.02450	2.0
75.00861	20.1
83.01378	8.4
85.02945	29.9
85.05177	1.8
87.00878	8.0
89.02426	24.6
95.01391	3.6
99.00890	8.2
101.02432	26.9
113.02428	42.5
119.03490	9.0
121.02902	17.5
127.05112	9.4
128.03532	2.2
131.03542	3.8
145.06180	2.1
159.03061	2.0
161.04527	8.2
179.05571	8.5
221.06612	8.4
258.32242	2.2
263.07669	7.4
351.89240	2.0
401.32996	2.1
413.22101	2.0
575.27252	100.0
575.35718	14.6
585.70337	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	575.2713
Annotation	Atractyloside I
Peak:m/z	Relative Intensity
50.84516	0.8
52.86766	0.8
55.01872	2.2
57.03441	1.0
59.01085	1.9
59.01381	49.2
61.55170	0.9
62.18585	0.9
66.31536	1.0
67.34860	0.9
71.01376	32.5
73.02940	9.9
79.78557	1.0
83.01378	7.2
85.02940	16.5
87.00864	1.5
89.02433	14.8
95.01395	1.5
97.02929	1.6
99.00853	4.7
101.02427	34.0
113.02425	20.5
119.03473	3.8
125.02412	2.3
143.03415	1.3
159.03008	1.6
161.04536	9.6
203.68018	1.0
209.15482	7.8
212.90193	0.9
305.17566	1.7
353.19562	1.5
371.20731	6.1
413.21692	8.2
515.25165	1.9
533.25995	18.0
575.27118	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	575.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.4
59.01373	18.4
59.59591	2.1
61.98846	2.1
64.45870	1.8
71.01369	24.1
72.99296	4.1
73.02933	2.6
75.00861	23.4
82.56915	2.3
83.01350	2.3
85.02945	38.3
87.00852	9.7
89.02419	4.8
92.19305	2.2
99.00848	10.4
101.02408	8.7
113.02435	36.8
131.27774	2.1
175.30864	2.2
272.15750	2.4
353.10251	2.7
411.09329	2.3
456.82449	2.0
575.27307	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	575.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56535	1.3
56.43197	1.3
56.72559	1.4
57.03446	6.5
59.01123	1.8
59.01379	28.2
61.59572	1.2
71.01375	25.3
72.99307	3.2
73.02930	7.9
75.00857	35.1
75.39314	1.3
83.01380	2.7
83.04955	1.5
85.02935	47.5
87.00869	12.9
87.50743	1.4
89.02412	9.2
94.47057	1.3
95.01379	2.6
99.00854	10.2
101.02433	13.0
103.00403	1.3
111.32225	1.4
113.02428	48.8
115.00317	2.9
119.03397	1.8
121.11047	1.6
161.04533	2.7
266.53293	1.5
282.05429	2.6
323.05820	2.0
330.12292	1.5
353.10144	2.9
382.80676	1.7
531.20514	36.2
531.26978	3.0
575.27069	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	575.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99883	0.6
57.03434	0.8
58.97337	0.7
59.01375	75.2
63.01571	0.6
71.01369	9.0
73.02930	7.0
82.01164	0.7
83.01372	1.3
85.02943	5.6
87.00890	0.7
89.02418	4.5
95.01365	1.0
101.02433	13.1
113.02439	6.2
119.03450	1.4
144.35925	0.8
149.16725	0.7
267.44379	0.8
309.20889	0.9
465.03549	0.8
471.26288	1.2
489.27133	1.1
513.26898	1.3
531.28107	100.0
539.96387	0.8
573.72369	0.8
575.26996	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	575.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11161	1.0
57.03450	2.1
59.01374	15.4
71.01369	17.5
73.02922	2.8
75.00858	20.8
85.02932	30.4
87.00858	5.6
89.02409	2.0
95.01398	2.4
99.00858	7.6
101.02403	6.4
113.02439	30.5
115.00310	1.3
117.01923	2.0
129.01938	1.4
132.08514	1.5
153.04721	1.2
313.05783	1.3
418.77963	1.5
455.75369	1.4
474.04605	1.3
531.28027	5.2
564.27411	1.5
575.27112	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	575.2715
Annotation	Atractyloside I
Peak:m/z	Relative Intensity
59.01377	65.5
71.01365	53.4
73.02950	8.2
75.39681	4.6
85.02931	21.6
87.00861	6.2
89.02439	32.7
96.95986	9.7
97.00430	5.2
99.00840	5.7
99.79663	4.9
101.02442	48.0
101.53864	5.1
102.78695	5.5
104.53055	5.0
110.33204	5.0
113.02433	32.6
131.03496	7.1
149.05135	5.1
161.04556	11.3
179.05608	6.0
209.91936	5.3
211.11118	6.2
233.15384	9.2
303.32004	5.7
413.21762	6.8
445.04926	5.9
531.20996	23.1
575.27380	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	575.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57926	4.4
66.77993	4.0
70.56465	4.2
71.01353	5.0
96.95992	11.4
105.15658	4.6
108.02162	7.1
112.09372	4.2
116.92821	5.9
123.04479	27.5
128.03555	4.8
138.72205	5.8
164.03537	28.7
178.05090	31.6
178.50671	4.9
192.06607	7.5
197.13052	6.3
198.11302	5.5
215.14011	18.3
300.72897	4.9
306.15851	53.9
321.18246	42.8
347.16220	6.3
438.43646	5.3
575.26172	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	575.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	83.7
59.01669	4.5
65.54292	2.1
66.61922	1.6
71.01366	44.1
72.69498	2.0
72.99297	2.3
73.02927	16.6
75.00854	12.0
83.01370	8.3
85.02947	21.8
87.00863	4.2
89.02448	17.3
95.01406	2.5
99.00842	4.2
101.02425	40.8
113.02408	34.9
119.03438	2.6
125.02376	2.5
128.03580	2.8
149.09724	2.3
159.02975	3.6
161.04547	9.3
203.05685	3.2
237.14726	2.1
240.41727	2.4
250.35152	2.3
282.05319	100.0
283.06125	15.4
283.15588	2.1
412.29608	2.3
414.17767	2.1
427.19629	20.8
445.21030	23.9
487.12601	32.5
487.21808	34.0
531.11517	27.3
575.27460	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	575.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00583	5.1
57.12102	4.0
59.01376	83.2
69.03440	5.3
71.01380	46.0
73.02934	71.7
83.01372	18.0
85.02959	5.5
89.02427	8.2
96.96009	9.5
97.02941	5.4
101.02437	69.2
113.02446	23.8
119.03427	4.5
125.02419	26.0
131.03488	5.3
143.03433	5.2
149.04590	4.7
161.02409	24.0
161.04541	18.2
176.04781	29.0
179.03447	30.5
194.05821	100.0
209.08159	61.1
229.09413	6.7
251.25957	4.4
255.84114	4.9
263.07507	7.4
305.08795	5.1
316.93381	4.7
323.09802	6.7
365.11057	32.7
461.85751	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	575.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
59.01376	31.7
62.74936	0.7
71.01373	23.3
72.99293	3.4
73.02944	7.0
74.88429	0.8
75.00861	25.8
77.48593	0.7
83.01365	1.9
85.02934	23.6
87.00848	6.5
87.15618	0.7
87.75795	0.7
89.02426	9.6
95.01357	3.8
95.05004	3.3
97.02964	1.1
99.00864	8.2
101.02437	7.8
113.02438	32.0
115.00334	1.3
117.01927	3.1
119.03517	1.1
125.02455	2.9
129.01880	0.9
131.03456	3.1
150.63939	0.7
151.11275	8.6
161.04495	3.3
173.04503	1.0
195.10237	12.9
235.04613	1.0
356.66708	0.7
380.86661	0.8
397.09866	1.1
533.32385	0.9
539.21283	0.9
575.19794	100.0
575.27026	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	575.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38915	1.7
58.31326	1.6
59.01378	31.2
65.42601	1.7
67.91978	1.4
68.54301	1.7
68.90013	1.7
71.01367	17.8
73.02928	2.7
75.00851	24.8
83.01378	1.9
85.02938	23.3
87.00827	6.8
89.02422	10.7
95.01358	1.6
96.95988	3.4
99.00842	8.4
101.02407	4.4
113.02421	40.8
115.00350	2.9
141.92725	1.8
146.63133	1.7
151.11215	2.6
161.04559	2.5
175.12392	2.0
195.10207	7.2
195.46642	1.7
231.09967	1.9
318.14145	2.1
334.40256	1.8
336.14191	1.8
348.10471	2.0
539.21246	8.3
575.10822	3.7
575.19763	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	575.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.8
70.71057	1.0
71.01378	4.1
73.02946	1.2
89.02444	2.0
92.19391	1.4
94.31994	1.1
96.95998	6.8
101.02444	4.1
113.02440	4.9
118.97897	1.1
121.06574	62.2
125.02454	1.4
147.04515	7.7
158.57451	1.2
158.99995	1.1
165.05556	100.0
169.53313	1.1
225.59607	1.1
283.74887	1.1
309.09787	1.5
489.15823	1.5
531.17230	70.2
575.21228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02991	1.3
50.08740	1.1
56.35767	1.4
59.01380	6.8
60.57261	1.2
60.93509	1.5
61.98805	1.6
71.01360	3.6
75.00856	2.7
75.49625	1.4
77.67964	1.3
79.23373	1.5
85.02926	1.7
96.95988	2.7
98.95592	2.0
99.00907	1.7
101.02425	2.1
106.04287	1.8
113.02429	6.1
121.06577	85.3
147.04506	8.9
165.05548	100.0
165.06944	3.5
202.98959	1.5
230.33838	1.6
249.22697	1.7
250.12192	1.5
377.12314	8.8
433.95499	1.6
531.09454	1.5
531.17175	44.4
575.19733	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	574.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41933	3.4
58.66276	4.3
60.07728	3.4
61.76288	3.2
77.53779	3.8
119.09599	4.2
148.04079	4.4
150.01926	7.3
162.01967	5.5
163.02722	4.6
180.07204	4.0
201.66142	4.4
281.10721	4.7
282.11224	5.5
296.09265	8.0
351.14703	9.6
360.54578	5.1
366.17047	18.6
368.18860	6.0
379.14172	5.2
394.16199	6.3
574.22949	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	575.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31625	0.4
57.03433	0.6
59.01362	6.8
59.07109	0.4
60.20371	0.4
70.01423	0.3
71.01369	6.4
73.02931	2.2
75.00834	0.4
83.01381	0.9
85.02940	3.3
85.03397	0.4
89.02422	3.3
92.19914	0.7
101.02431	4.6
113.02420	4.2
116.92858	0.5
119.03468	1.0
125.02428	0.6
131.03465	0.6
136.38853	0.6
149.02458	0.6
151.00313	0.8
161.04518	2.2
161.81953	0.5
179.05681	0.6
210.11314	0.4
282.05322	100.0
283.06107	19.8
307.82941	0.6
309.16891	0.4
325.06992	0.7
414.92975	0.5
487.12454	35.5
531.11420	29.0
533.26117	4.0
575.26331	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	573.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21425	1.4
58.36926	1.6
59.01379	100.0
76.38362	1.6
84.16320	1.6
86.35868	2.0
99.09602	1.4
133.05342	2.5
134.06105	11.3
157.75125	1.6
179.15474	1.8
206.20526	1.9
223.14529	3.8
245.12952	2.0
247.14569	40.0
342.14627	9.1
358.21259	7.6
472.28220	2.1
499.32996	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58577	0.9
59.01380	100.0
71.17250	1.1
88.70355	1.0
94.48217	1.4
100.31484	1.0
133.05333	1.5
134.06104	16.7
141.59769	1.2
160.04053	1.8
164.29022	1.2
204.00220	1.2
223.14508	7.2
230.11668	1.5
245.12999	1.5
247.14526	43.0
273.12259	1.6
342.14691	10.9
358.21335	5.8
385.20093	2.2
402.87625	1.4
454.27206	2.3
472.28186	1.5
499.32919	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.02374	1.2
87.19022	1.2
97.23219	1.1
133.05315	2.4
134.06145	13.6
147.67525	1.3
157.13431	2.4
160.04004	2.0
223.14455	6.3
228.10390	1.3
245.12903	2.4
247.14532	45.8
342.14484	9.0
358.21326	8.5
385.20001	2.5
454.27319	2.5
455.27417	1.6
472.28348	5.0
499.32944	84.3
573.36621	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	573.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15052	0.8
57.94940	0.8
59.01382	7.9
71.01361	3.8
89.02434	7.2
96.33932	0.8
99.31918	0.9
101.02438	8.0
113.02415	2.2
116.79797	0.9
117.66093	0.9
119.03473	1.3
145.52316	1.1
161.04533	1.2
179.05737	1.0
208.52881	1.0
253.09294	18.6
277.21716	100.0
510.80573	1.3
513.30609	4.4
574.89697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
69.28677	1.0
101.84626	1.1
133.05301	2.7
134.06102	15.5
141.64783	1.4
157.13396	2.0
160.03983	2.6
219.88304	1.3
223.14497	8.8
230.11774	2.2
245.12846	2.3
247.14513	45.7
261.83548	1.0
273.12445	1.5
342.14523	12.2
356.66592	1.3
358.21344	7.3
385.20087	4.9
454.27216	1.8
472.27969	4.7
499.32910	83.5
514.29065	2.1
573.36237	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	573.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29072	0.7
59.01382	7.9
64.39238	0.8
65.53680	0.8
71.54288	0.8
73.02935	0.9
89.02413	1.6
99.57580	0.8
101.02419	1.6
102.85205	0.9
113.02464	1.2
115.97984	0.9
147.98605	0.9
161.04587	1.2
169.91631	0.9
253.09268	10.2
277.21725	100.0
283.47745	0.9
312.81073	0.8
342.81241	1.0
513.30499	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	573.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.1
61.98832	3.9
67.13335	3.8
71.73775	4.2
73.29578	3.6
85.78605	4.0
88.69861	3.6
92.86958	4.1
99.76672	3.9
125.09703	100.0
159.10275	33.1
160.21690	4.4
187.09743	64.1
239.28671	4.1
261.13351	6.2
302.40567	4.0
437.81723	4.2
464.38110	4.6
573.32806	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26487	1.5
51.27357	1.5
51.55990	1.5
57.09659	1.8
59.04569	1.5
61.93004	1.8
68.56238	1.9
69.96140	1.7
74.85468	1.6
91.46043	1.8
95.05011	3.9
97.06569	35.9
111.08116	1.7
113.17365	2.2
125.09699	79.7
129.95242	1.9
159.06596	27.8
171.10234	3.1
173.08183	2.8
187.09740	93.4
211.67032	1.8
233.10350	3.8
248.79282	1.9
261.13400	17.8
312.14426	2.0
328.75012	2.2
329.23322	2.9
379.09717	2.0
403.19647	2.6
573.29034	100.0
573.36627	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	573.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04304	1.4
53.41625	1.2
55.24350	1.4
56.00680	1.2
59.01382	15.2
60.59558	1.2
67.15031	1.3
67.96749	1.5
71.01374	2.5
73.02931	1.7
85.02914	2.5
87.00861	3.2
89.02431	1.5
101.02435	5.8
111.00806	1.8
113.02396	2.6
116.92829	8.0
117.11616	1.6
122.06111	16.6
136.07663	2.4
146.06075	8.6
154.60544	1.7
193.41269	1.9
219.04013	1.6
224.86942	1.4
226.12457	14.1
227.08304	22.8
230.10577	2.6
240.08955	1.5
241.09827	46.4
242.10605	16.5
254.10770	1.9
255.11409	30.5
258.13644	2.2
259.14487	29.5
269.12939	34.4
270.13760	3.1
313.11951	9.9
314.12686	7.9
319.18265	1.7
333.15015	1.9
362.18655	7.7
409.48557	1.7
465.82614	1.6
529.26782	12.0
573.15863	5.9
573.27161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92009	1.3
59.01382	10.5
68.63017	1.3
71.01363	5.6
72.99292	2.1
73.02915	1.5
85.81374	1.5
86.58870	1.4
87.00855	1.7
89.02427	2.6
95.65840	1.7
101.02413	2.7
109.92210	1.3
113.02370	1.4
122.06084	2.7
124.07589	2.0
124.93477	1.6
133.05823	1.7
136.07677	2.3
143.16573	1.8
146.06067	6.7
151.63794	1.6
226.12337	9.8
227.08255	21.1
239.11998	2.2
241.09837	48.6
242.10594	17.7
255.11411	29.6
259.14410	6.7
269.12979	29.0
270.13690	6.1
313.11850	2.7
314.12741	8.6
349.38187	1.5
425.96320	1.7
529.27240	2.3
573.27063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38147	5.2
58.39483	6.5
59.01382	79.9
66.80481	6.2
71.01359	58.3
71.31499	6.8
73.02931	11.0
82.96159	6.0
85.02913	12.5
87.00872	14.8
89.02453	80.8
93.07302	6.6
101.02427	87.2
101.32264	7.2
113.02413	51.7
119.03450	38.8
131.03485	29.8
161.04579	36.8
166.02782	8.1
179.05626	33.6
221.06696	39.5
231.13904	9.1
263.07684	46.5
573.25525	100.0
573.33508	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	573.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26308	6.7
58.99603	7.2
59.01379	91.5
60.86475	6.2
63.99975	5.8
64.72804	7.3
67.11912	6.6
71.01369	65.4
73.02930	15.9
76.09574	6.8
83.01357	9.2
85.02939	26.8
89.02403	64.1
101.02441	75.3
102.98581	84.3
113.02423	47.7
113.90340	6.9
119.03487	18.4
127.05132	39.1
131.03497	15.0
145.06090	9.1
146.03679	10.6
161.04584	17.9
161.06049	15.8
179.05511	26.8
195.04764	11.2
203.18170	7.5
211.94698	7.8
214.33409	8.5
217.88922	7.4
221.06657	16.4
221.77490	7.1
247.10889	10.0
248.11713	30.3
249.12381	50.1
263.07831	11.4
268.42322	10.0
276.57745	8.0
361.79816	10.6
409.17725	36.8
454.35339	7.6
518.72522	8.6
573.25494	100.0
573.34088	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.255
Annotation	Lembehsterol B
Peak:m/z	Relative Intensity
52.98273	0.6
53.42620	0.7
54.39494	0.6
55.01872	0.8
55.64577	0.8
57.03439	3.6
57.44101	0.7
59.01089	0.9
59.01377	22.3
59.85136	0.6
69.03451	1.2
69.42094	0.7
71.01366	21.3
72.99290	4.0
73.02928	5.7
75.00858	25.6
83.01373	3.3
85.02431	1.2
85.02936	33.9
87.00854	9.8
89.02425	7.5
90.22942	0.7
95.01337	4.0
97.02917	0.8
97.14688	0.8
99.00877	7.8
101.02427	11.3
111.00861	4.4
112.01630	1.2
113.01667	1.3
113.02427	31.4
115.00334	2.9
122.51755	0.8
125.02419	0.9
192.03951	0.7
235.16898	1.9
237.43642	0.9
243.81009	0.8
265.59583	0.7
323.65366	0.9
508.80072	0.9
529.19495	2.9
529.26770	4.6
573.25500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05890	1.2
55.38872	1.4
57.03440	9.1
59.01377	33.1
70.74036	1.3
71.01370	35.1
72.99299	3.7
73.02934	8.8
75.00863	26.1
83.01381	6.6
85.02940	33.4
87.00855	9.6
89.02450	13.8
95.01373	6.0
97.82034	1.5
99.00868	10.2
101.02436	19.3
103.00331	2.1
111.00937	1.7
113.02423	41.3
115.00344	3.4
117.01950	2.3
119.03450	3.3
126.24786	1.4
131.03497	8.4
135.00633	1.6
135.20567	1.4
161.04553	5.6
168.78596	1.8
173.04491	6.7
173.13257	2.8
175.11174	2.1
191.14365	8.3
193.03462	2.9
217.12239	1.8
235.13335	12.7
282.20645	1.8
333.09665	1.7
357.14749	1.5
443.23761	1.7
476.68594	1.8
501.96094	1.7
568.66339	1.9
573.21515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87758	0.4
59.89756	0.5
77.85448	0.4
80.80954	0.4
86.01370	0.5
87.00375	0.6
87.00864	10.8
94.69366	0.4
111.04475	0.9
135.04494	15.4
140.39532	0.5
161.04564	2.0
207.11353	1.8
207.47502	0.5
238.00824	0.5
243.05084	1.1
249.12437	100.0
411.17972	0.7
459.07397	0.4
573.23065	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	573.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23568	1.2
53.82286	1.1
56.37700	1.2
57.03418	1.3
59.01375	33.5
60.44588	1.3
70.80181	1.4
71.01373	40.5
72.51640	1.4
73.02932	15.9
83.01402	2.1
85.02927	12.7
87.00866	8.2
89.02422	17.3
95.01331	1.6
98.17206	1.6
99.00850	2.4
101.02433	40.8
102.69537	1.4
113.02429	19.7
118.54102	1.5
119.03609	2.2
119.05003	76.9
131.03497	17.3
141.04497	1.5
150.46671	2.0
159.02977	5.9
161.04506	18.8
163.03947	12.2
177.60225	1.6
179.05573	8.7
219.13573	1.9
221.06625	16.0
230.12715	1.6
263.07672	2.1
391.67874	1.5
400.50470	1.4
529.15656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48107	0.5
56.52995	0.5
58.90902	0.5
64.56696	0.6
64.92470	0.6
65.16433	0.5
66.03485	0.7
68.83427	0.7
69.88247	0.6
82.02985	1.4
87.49597	0.6
92.19985	0.6
98.69505	0.6
104.72337	0.6
108.02161	13.3
110.02467	11.5
111.01971	2.7
121.03503	0.7
123.04514	15.7
128.56335	0.6
140.03511	1.0
152.01140	20.2
152.03523	1.0
153.02979	0.8
167.03482	100.0
176.55818	0.7
200.05641	4.0
243.06203	19.6
329.08832	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	573.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00341	1.2
73.02998	1.4
76.44360	1.3
79.73136	1.1
83.05009	2.6
87.00864	100.0
92.19944	1.4
93.03444	13.8
109.09416	1.2
110.00329	1.3
111.04517	11.5
127.01501	1.6
135.04503	2.3
137.02429	17.7
155.03479	6.2
161.04463	1.8
213.11005	1.5
241.43184	1.5
243.05074	68.9
243.86877	1.3
249.12451	11.5
251.63010	1.3
316.23602	1.6
336.67566	1.4
411.17691	2.3
502.67340	1.2
573.23431	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14808	1.3
73.40768	1.2
83.05024	2.7
87.00864	100.0
93.03427	11.9
96.95998	2.1
111.04490	11.5
135.04546	1.7
137.02435	17.9
146.12616	1.5
155.03526	2.7
167.03502	1.6
185.99565	1.5
199.06165	1.7
243.02684	3.0
243.05089	73.3
249.12389	13.7
258.03293	1.4
411.17542	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	573.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41115	1.9
56.20870	1.7
59.01382	3.5
60.71104	1.9
61.98832	2.0
71.01391	2.7
85.23064	1.9
86.27251	1.9
89.02460	2.6
92.19985	3.0
96.95960	4.4
101.02482	2.3
119.05014	100.0
163.03993	55.8
194.51315	2.1
225.34982	1.9
445.66962	2.1
465.60495	2.1
529.15643	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	573.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46456	0.6
61.98826	0.9
100.44071	0.6
119.05008	100.0
149.48541	0.7
163.03995	55.6
181.85486	0.8
208.95020	0.7
247.72061	0.7
255.13518	0.8
380.04266	0.7
529.15649	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	573.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04785	0.4
50.48851	0.3
54.84171	0.3
59.01373	0.4
75.53689	0.4
78.95904	6.1
79.95744	0.9
96.95995	100.0
96.96918	14.4
98.95575	1.5
167.25989	0.4
187.91582	0.4
264.28052	0.5
269.08298	2.9
281.66656	0.4
573.10242	0.9
583.48029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	13.8
59.01357	1.7
62.93700	0.8
63.29583	0.9
70.02966	7.5
84.63152	1.0
86.19962	0.9
88.30318	1.0
91.05516	11.0
147.04494	19.8
160.78706	1.0
162.09247	1.1
164.07159	87.8
206.08214	100.0
227.94409	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	572.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40349	0.9
52.81168	0.9
56.37821	0.8
56.60331	0.9
61.98827	100.0
72.39824	1.0
89.96526	1.1
246.87270	1.1
267.36014	1.2
377.73572	1.4
382.19171	1.2
509.27365	6.5
533.82770	1.1
553.87482	1.3
572.30695	1.7
595.55670	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	572.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.5
59.23281	0.5
61.98829	100.0
71.56184	0.7
92.19283	0.7
92.77860	0.8
99.66511	0.7
137.40652	0.8
159.15262	0.6
202.29839	0.6
206.67838	0.7
235.24011	0.7
259.69138	0.6
293.95917	0.7
321.28372	0.6
375.21771	0.8
509.27637	6.0
539.71686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2889
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.68020	0.5
55.58793	0.6
61.98833	1.2
66.53020	0.6
76.33119	0.6
78.95890	22.8
96.96944	8.2
105.82957	0.6
107.40477	0.7
111.32134	0.7
135.59138	0.6
152.99571	48.6
186.86658	0.7
223.00117	2.7
241.01173	33.0
241.03664	1.1
255.23279	100.0
281.23010	0.7
292.02530	0.8
315.04895	5.5
335.08594	0.7
380.71075	0.6
405.12469	0.6
468.29477	0.6
571.28845	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13494	1.0
55.53408	1.2
59.01387	1.7
72.99300	32.2
82.02993	5.7
96.95993	12.8
114.17355	1.2
135.04559	1.9
136.04056	1.6
138.05603	58.2
161.02403	6.1
173.04475	1.5
179.03389	2.1
229.06975	1.7
233.09177	1.5
242.08298	1.5
244.08501	5.6
247.10875	26.7
249.12527	2.8
259.08188	2.8
259.10867	66.8
259.13596	2.8
285.08511	1.5
321.10907	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	571.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02208	2.2
59.01381	30.5
71.01372	25.2
73.02927	8.8
85.02965	4.0
87.00864	5.6
89.02426	19.2
92.12016	2.6
92.81448	2.6
96.95986	5.0
101.02431	35.5
112.32466	2.2
113.02428	15.8
119.03517	11.9
126.22487	2.7
126.27467	2.4
131.03452	21.7
149.21510	2.7
149.22758	2.6
161.04526	21.1
173.53751	2.6
217.35426	2.4
221.06631	18.0
237.15082	2.8
349.12598	4.0
483.81406	2.7
527.12103	4.6
527.19855	100.0
571.22949	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	571.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54921	1.1
54.35624	1.3
55.01848	1.3
57.03466	1.2
59.01374	55.2
65.70523	1.2
67.42157	1.3
69.03434	1.8
71.01374	62.1
73.02943	19.9
83.01366	6.5
85.02929	20.0
87.00874	10.4
89.02428	57.2
89.02969	2.3
95.01347	1.9
96.96008	2.5
97.02939	6.0
99.00856	9.1
101.02435	59.1
107.49422	1.3
111.00880	3.0
113.02425	32.6
119.03481	18.2
125.02411	9.6
131.03465	13.8
141.01892	2.4
143.03513	7.5
159.02997	2.9
161.04539	27.5
179.05608	14.3
198.95097	1.3
201.94345	1.3
221.06659	14.9
245.06618	3.0
263.07697	3.0
323.09967	5.9
341.10812	6.0
383.12054	9.9
409.17188	11.2
527.19806	30.0
571.22473	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	571.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91536	0.9
72.25391	1.2
77.36391	1.2
78.95910	2.8
87.00861	100.0
96.96988	8.5
102.94387	2.0
110.20443	1.2
126.40782	1.2
142.97491	22.2
166.97520	18.4
168.95430	6.0
186.96460	1.7
228.97546	73.0
229.00967	2.0
571.08881	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	571.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	33.5
60.04077	2.1
60.44601	2.0
71.01392	3.0
73.02936	3.2
75.64544	2.2
89.02453	2.5
89.97443	2.5
95.35805	2.2
96.95988	4.0
120.04496	2.8
143.33234	2.5
145.07666	2.9
160.06331	2.7
161.07195	63.3
171.09239	3.0
173.10872	3.8
175.08778	11.1
187.08739	15.1
189.06743	19.0
194.22162	2.7
201.10373	3.7
203.08278	56.8
203.11914	12.2
217.09834	26.0
229.09827	72.0
271.10971	3.5
277.11945	100.0
295.13092	3.3
305.11389	31.4
319.12921	9.5
349.14063	5.0
439.17215	57.5
467.16736	43.2
493.34933	2.6
527.18964	5.0
571.22308	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	571.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40821	0.3
58.57910	0.3
59.01385	0.5
76.17874	0.3
79.95739	1.4
96.95997	100.0
114.13047	0.3
132.50261	0.3
176.18840	0.3
202.50780	0.4
244.45882	0.3
266.05884	2.2
267.06662	4.8
317.05627	0.4
408.87595	0.4
429.12045	0.6
473.10968	2.7
517.36603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27110	13.3
53.24997	9.4
59.01377	100.0
64.40342	11.2
65.46766	9.7
70.06854	10.4
99.08134	18.2
99.39713	14.2
119.82931	11.6
174.36678	12.0
175.06090	53.1
191.15259	12.3
193.12260	19.1
293.21271	48.2
469.28052	47.2
511.28900	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89000	7.8
55.77770	7.8
59.01381	100.0
67.81279	7.9
78.55189	8.4
83.01355	17.1
86.66306	8.7
88.75504	10.1
99.08149	41.1
101.62210	9.0
144.32658	9.8
151.83385	10.8
155.60649	9.9
175.06143	16.2
193.12370	13.0
250.25229	12.1
293.21130	49.6
469.27982	44.2
511.29089	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
57.03438	2.6
58.34522	1.6
59.01379	100.0
61.98830	2.3
73.02930	2.7
83.01371	16.7
91.04014	3.0
99.08133	14.5
101.02438	3.2
157.05013	2.8
172.48195	2.1
175.06104	8.2
193.07140	13.0
193.12349	14.1
195.45277	1.6
199.12453	1.7
293.21320	30.3
333.29480	1.9
451.27118	12.5
469.28058	44.4
482.91815	1.8
496.33029	4.3
511.29214	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.5
58.04095	9.3
61.98823	10.0
82.04092	14.3
92.19415	2.2
93.32235	1.6
96.95983	8.3
101.02392	1.7
108.02155	9.2
113.09702	2.9
123.04509	13.0
138.10338	7.3
139.07616	2.0
152.01129	11.3
157.08690	34.5
167.03468	73.6
240.13528	100.0
329.08856	19.2
337.34970	1.7
340.63309	1.6
372.22720	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	570.212
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04669	0.3
60.79810	0.3
79.95738	0.8
92.19303	0.4
93.88477	0.3
96.95996	100.0
121.69241	0.3
308.19821	2.5
350.20782	1.4
412.99399	0.4
453.61121	0.5
472.24414	5.8
570.21570	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	570.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.3
59.44605	1.1
61.98826	100.0
65.59471	0.9
65.70577	0.9
69.66447	1.0
91.60564	0.9
96.95986	1.8
110.09619	1.0
113.02422	1.3
160.03998	1.5
229.62483	1.1
477.65750	1.1
570.14697	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	569.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60020	0.9
59.01368	10.2
61.98827	100.0
65.78773	1.0
68.35941	1.2
71.01394	1.6
73.02932	2.6
77.86639	1.1
89.02422	1.0
92.18100	1.2
101.02447	2.3
116.92845	1.4
122.01351	1.3
123.04527	8.6
130.08728	19.4
145.52780	1.2
161.04640	1.4
197.16643	12.1
239.36082	1.0
338.28098	6.7
382.26901	2.1
506.32422	25.1
569.25677	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32759	1.1
50.67615	1.0
55.77606	1.3
56.52220	1.3
59.16623	1.1
70.23134	1.1
74.79934	1.2
79.99139	1.1
102.92095	1.4
106.62249	1.2
149.53743	1.2
154.60678	1.3
254.13168	1.3
385.28949	1.4
423.32446	2.1
427.32120	2.4
458.09900	1.5
467.31604	5.3
469.33167	36.8
469.39642	1.3
480.22327	1.5
487.34286	68.4
517.32861	1.3
569.34644	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	569.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.2
65.82371	2.8
69.83350	2.2
70.47202	2.5
71.01366	13.4
73.02940	3.4
85.02943	10.7
89.02448	10.0
101.02413	19.5
105.32021	2.5
109.42439	2.6
113.02438	6.4
116.92857	3.6
227.16615	3.7
238.62579	2.8
245.17538	16.3
290.67462	2.9
355.04190	3.0
407.22815	29.4
569.27771	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	569.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	36.0
71.01373	38.1
71.74093	2.5
73.02931	22.2
83.01374	5.8
85.02928	18.2
89.02438	23.4
95.01403	3.6
95.40720	2.5
96.96005	3.0
99.00874	3.5
101.02436	47.6
113.02427	32.0
119.03459	3.6
120.16049	3.5
159.03001	2.7
161.04552	6.4
182.02196	5.3
189.30487	2.8
197.04550	17.1
227.16498	4.5
245.17633	6.1
336.92746	2.6
339.59583	3.1
347.18103	3.1
371.20816	4.7
389.21713	31.3
407.22766	14.2
533.26056	65.8
569.27802	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	569.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.5
60.47934	3.5
66.15608	3.9
70.66694	4.7
75.28374	3.8
84.04526	4.2
88.55629	3.9
101.85101	4.4
109.82651	4.7
148.05261	4.5
186.79976	5.0
191.07056	5.4
197.12915	8.4
241.11911	7.8
267.06561	25.0
268.09702	4.4
282.08997	27.6
293.04538	6.6
294.08908	19.6
297.11261	10.2
353.10114	5.6
458.60547	4.9
465.20419	25.4
477.20248	27.8
480.22751	9.5
492.22742	8.3
539.23676	25.8
551.24097	44.0
569.25098	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	569.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93939	1.3
59.01362	2.5
69.03449	31.2
71.01376	2.3
73.74385	1.5
85.02929	1.8
96.95997	24.1
111.05614	2.1
112.01687	4.0
113.02451	20.3
135.04539	8.1
157.01401	9.4
180.28754	1.6
249.12434	82.7
275.14029	100.0
301.15372	1.8
332.98520	1.6
411.17789	44.2
437.19366	2.2
447.45435	1.8
481.18195	34.7
494.49359	1.8
557.47180	2.4
569.19775	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	569.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.9
64.16968	1.4
64.24720	1.5
71.01395	6.9
84.34222	1.5
85.02950	3.3
87.00861	3.0
89.02460	6.7
96.96013	8.7
97.28333	1.7
101.02422	7.4
102.16229	1.6
113.02463	2.9
119.03497	2.9
123.08136	2.0
138.03300	2.0
141.09227	28.6
151.00377	10.3
151.03941	2.3
153.05576	2.5
157.08685	4.0
166.02693	75.2
180.07889	37.2
181.05035	91.8
181.06567	3.6
185.08194	7.3
192.07918	32.8
195.10243	14.4
203.09244	13.2
207.10251	33.5
210.08974	20.8
223.09773	4.1
225.11353	22.1
278.23663	1.6
299.09244	2.6
329.10336	27.1
341.10406	7.8
344.12701	38.0
356.12671	3.5
359.14999	49.9
371.15137	3.8
389.15906	8.2
407.17102	100.0
444.98523	1.7
525.21082	10.7
569.20782	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	569.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50890	1.3
56.54201	1.3
59.01382	14.1
71.01374	10.4
73.02943	3.3
85.02933	8.3
85.43834	1.8
89.02416	3.7
90.80162	1.7
92.19338	2.7
96.96003	5.9
101.02422	9.6
113.02417	6.0
123.00891	1.6
165.01924	8.5
166.02779	2.5
179.03493	7.9
180.04300	19.6
181.08720	2.2
194.02184	3.0
194.05957	1.6
195.02997	1.6
195.06628	7.7
209.04529	10.8
212.03300	7.2
221.04521	3.9
271.06113	15.5
286.08347	14.1
301.10843	3.2
311.05566	10.1
312.06464	3.1
315.05020	18.8
325.06784	2.0
326.07846	3.8
327.05109	20.1
330.07440	38.9
331.08209	2.0
342.07352	14.5
343.83447	1.9
345.05923	2.8
345.09824	56.3
357.09796	19.6
375.10864	9.1
407.13464	100.0
498.25552	1.7
509.22186	2.9
521.20361	14.8
525.21753	7.1
526.78766	1.7
569.22540	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	569.1878
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
70.13618	0.7
73.02926	0.7
78.90434	0.8
123.00848	1.7
137.02367	0.8
138.03221	11.7
153.05531	13.0
166.02606	0.8
166.99785	1.1
181.01433	0.9
182.02194	43.7
196.03790	7.3
197.04549	100.0
211.06105	8.7
224.03322	1.4
239.05588	8.5
239.79179	1.0
309.81256	0.9
312.69415	0.8
356.51489	0.9
407.13483	25.7
569.18579	26.0
569.27313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.188
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
50.65224	1.8
52.53904	2.0
52.70874	1.8
59.01379	31.5
63.62823	2.0
66.69920	2.0
67.90195	2.4
71.01376	3.9
72.99294	5.3
75.00857	3.6
87.00858	3.1
107.05009	10.3
112.39548	2.6
113.02406	3.6
128.92157	2.5
135.04501	57.8
140.84433	2.4
151.00307	4.3
153.05630	3.2
154.67406	2.2
159.07440	2.3
164.04762	11.7
165.05569	18.0
166.02693	46.5
179.07137	5.3
181.05058	79.7
208.03780	3.4
210.05228	2.6
220.66870	3.0
223.06128	11.6
241.07159	3.9
317.44189	2.4
328.12634	3.2
329.13367	3.0
407.13007	8.6
533.18634	4.6
569.18726	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	569.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
64.57777	2.2
70.69903	2.1
71.01368	42.3
73.02927	20.7
75.00864	3.5
83.01376	6.2
83.32760	2.3
85.02940	27.6
89.02438	12.7
95.01381	4.9
97.02898	3.4
99.00872	3.8
101.02438	50.0
113.02438	33.6
125.02399	4.1
125.28732	2.4
129.01953	3.0
138.56970	2.5
143.03490	3.6
161.04526	17.0
172.22195	2.5
174.08820	3.0
182.63182	2.6
188.22693	3.0
235.11766	23.4
277.12750	3.3
347.18250	2.7
374.55087	2.8
379.16095	14.8
397.17172	6.0
400.59628	2.9
421.17172	15.1
439.18173	63.5
481.19336	78.4
525.22089	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	569.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68488	0.2
56.49524	0.3
58.31077	0.2
59.01384	2.5
61.34172	0.3
65.24822	0.3
71.01367	1.6
73.02945	2.6
79.95752	1.3
82.34583	0.3
85.02947	0.5
89.02417	0.7
96.95998	100.0
101.02435	2.1
101.11388	0.3
113.02426	1.2
114.93373	0.4
123.04471	0.5
161.04497	0.3
181.27904	0.3
219.59892	0.3
221.06627	0.6
263.53470	0.3
309.54752	0.3
365.57297	0.4
516.93982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.3
71.01386	0.4
73.02943	0.5
79.95746	0.6
85.02933	1.0
96.95996	100.0
101.02439	1.0
113.02409	0.8
153.09225	2.3
169.98341	0.4
182.33075	0.4
202.74821	0.4
427.19589	3.7
525.22180	1.0
596.51978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95544	0.6
77.96600	0.5
85.70788	0.6
89.59503	0.6
92.19786	0.7
108.02142	2.5
109.02894	0.8
122.03699	3.1
123.04495	39.9
132.68587	0.7
145.02917	6.7
146.03636	1.1
147.04485	4.2
150.03232	0.8
152.01126	4.4
153.01920	2.7
165.05536	100.0
194.27922	0.7
217.05635	0.6
253.03532	15.3
283.06564	0.7
315.07126	8.2
315.17593	0.7
510.96301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79802	9.6
58.60664	11.0
59.01380	100.0
61.98823	10.5
83.01352	17.6
84.15682	13.6
91.63873	11.6
97.06563	23.0
118.21319	13.1
152.13892	12.4
181.11522	13.9
193.12202	15.3
228.29193	14.0
291.19595	18.5
364.63379	15.5
449.25229	14.0
467.26465	49.3
509.27371	78.5
518.28857	49.2
522.08142	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	568.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
86.64156	5.9
92.20010	9.2
103.55135	4.9
108.40920	6.2
133.05298	11.5
134.06122	40.6
136.41261	5.7
144.87451	6.0
162.83661	6.2
169.52699	6.6
221.06219	6.8
247.14476	46.9
342.14664	44.2
385.19907	8.4
396.25531	6.9
568.31458	100.0
590.60986	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	568.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88985	0.8
51.35895	0.6
59.01347	0.8
72.00880	1.5
74.02448	1.1
83.02515	1.1
93.03458	3.5
108.41907	0.7
108.79456	0.8
116.05029	3.9
118.06617	3.7
119.05010	11.2
129.10326	10.9
131.05051	1.1
133.05313	1.1
134.06131	11.7
139.08717	3.1
143.11897	0.9
146.06093	7.7
147.04510	4.9
151.08766	1.6
155.08255	19.4
157.05322	5.2
158.06013	5.6
162.05565	3.6
163.04015	8.7
169.09824	4.2
175.05824	0.7
180.06653	23.6
186.05615	4.2
187.10831	1.1
189.06723	1.5
200.05923	9.6
201.06709	1.1
212.13190	3.0
216.52036	0.8
221.09729	1.7
241.13316	1.0
242.11845	1.2
247.14568	2.9
248.10747	3.6
249.16080	1.5
256.14575	1.5
257.13019	1.1
258.11301	1.2
266.11884	1.2
273.10077	1.0
274.11078	1.8
275.14090	1.5
276.10123	0.8
286.11029	0.9
291.11362	3.0
293.15186	5.6
309.12411	7.4
313.72098	0.8
314.15302	0.8
343.18259	7.6
359.17737	0.8
377.18680	1.7
387.17105	5.8
389.69623	1.0
421.17471	1.1
568.24573	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	568.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94609	0.8
57.02011	1.0
70.05928	0.9
70.08599	0.9
71.02489	1.6
72.00893	4.0
73.50957	1.1
74.02466	1.5
77.66486	0.8
77.90289	0.8
90.67552	1.1
91.05511	1.5
92.20107	1.1
93.03440	2.4
104.56601	0.9
110.06091	1.6
111.01963	1.6
113.42336	1.0
115.31419	1.1
117.62224	1.1
119.05018	8.6
119.05752	1.0
127.08757	1.3
134.06120	9.8
136.07635	5.0
146.06114	15.4
158.06061	2.2
162.05386	1.0
163.03993	13.6
166.07410	3.5
180.06645	43.9
186.05627	1.5
189.06708	6.1
191.08260	4.9
202.62335	1.0
203.08189	1.1
209.07182	17.7
214.07367	1.1
214.12381	4.7
221.09415	2.1
239.11871	2.0
252.12709	6.9
257.12979	19.2
266.11801	9.0
275.13898	1.5
327.13300	2.0
338.19656	0.9
343.18167	19.5
346.28391	1.1
387.17142	21.8
568.24530	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	568.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68264	0.7
65.68047	0.7
71.02477	1.3
72.00903	3.9
72.72540	0.7
74.02480	1.2
77.25301	0.8
82.06584	0.9
90.79738	0.8
91.05488	1.0
93.03440	4.1
110.06095	0.8
117.74060	0.8
118.06613	1.2
119.05012	9.6
127.08746	1.0
128.07127	0.9
133.05344	0.9
134.06110	8.3
136.07658	3.2
146.06117	16.0
157.05377	1.2
158.06062	1.8
162.05667	1.3
163.03981	12.1
163.31660	0.9
166.07454	1.8
180.06662	43.8
186.05623	1.2
189.06610	7.2
191.08247	4.2
209.07196	13.3
214.07567	1.4
214.12340	5.2
218.06871	1.7
221.09380	1.1
225.13988	1.2
239.11823	3.5
240.10223	1.2
252.12704	8.0
257.12943	17.5
266.11893	7.0
275.14020	4.1
310.10812	1.0
327.13614	4.5
343.18222	18.5
387.17142	20.4
568.24536	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	568.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95751	0.3
56.53802	0.3
66.12896	0.3
79.95740	1.8
96.95994	100.0
105.29180	0.4
135.04518	6.0
152.01138	1.6
153.01427	0.6
154.71046	0.3
163.91638	0.4
167.03456	2.7
168.03816	0.8
199.74440	0.4
291.17117	0.4
334.17685	1.8
366.30450	0.4
377.12479	0.4
470.22916	3.8
524.20605	0.5
539.59406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
62.61019	2.4
66.76130	2.6
70.98874	2.5
71.01369	52.2
73.02935	22.9
83.01384	3.9
84.63065	2.7
85.02939	21.0
87.00836	3.8
89.02432	48.8
95.01382	3.0
99.00900	3.0
100.01733	2.9
100.56577	2.6
101.02417	39.4
113.02431	43.7
119.03455	11.3
125.02504	3.9
150.03215	13.5
158.31628	3.1
165.05553	45.0
179.05666	3.6
179.26645	3.2
195.06635	14.7
202.75180	2.7
209.08240	4.0
212.47473	2.8
357.13513	6.7
405.15430	6.6
463.21869	87.7
481.23010	31.8
494.18188	3.1
523.23853	38.5
567.23431	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	567.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32610	2.2
119.05023	2.5
133.05287	18.1
134.06102	58.1
139.08768	3.0
146.06160	3.5
147.04446	2.3
160.04007	3.9
171.05663	2.7
173.27733	2.3
187.05122	75.2
200.05981	5.2
247.14511	100.0
257.12930	25.8
273.12344	3.1
290.90067	2.5
392.19772	5.6
419.18677	30.2
440.22849	2.9
451.15005	3.0
466.06097	2.5
549.28937	5.5
567.21344	4.1
567.29803	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2984
Annotation	Adouetine Y
Peak:m/z	Relative Intensity
58.08310	1.0
58.40420	0.9
61.04486	0.9
79.24416	0.9
93.03439	1.8
107.92710	1.1
116.05022	3.8
117.07085	1.7
119.05057	1.4
133.05321	23.1
134.05070	2.3
134.06100	56.2
139.08762	6.1
140.07170	1.6
146.06067	4.2
147.04565	1.2
160.04066	8.1
162.95879	1.0
171.05647	1.1
185.04771	1.5
187.05115	54.9
200.05951	12.9
204.14001	1.3
213.14001	1.8
216.05331	1.4
229.13434	1.8
230.11797	1.4
243.07603	1.7
245.12950	1.7
247.14520	100.0
248.10745	2.5
257.12946	20.3
264.10190	1.3
273.12384	5.1
375.17175	1.9
377.18600	1.9
392.19925	7.8
419.18515	26.9
420.19171	2.4
435.34753	1.3
549.28748	4.0
567.29761	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2296
Annotation	Chinikomycin A
Peak:m/z	Relative Intensity
53.83253	2.2
57.03436	3.0
59.01378	34.5
69.47191	2.2
71.01368	13.4
72.16470	2.5
72.38564	2.6
72.59380	2.3
73.02935	10.9
85.02929	3.2
87.00870	6.0
89.02428	13.3
97.80096	2.5
101.02420	19.6
113.02426	11.7
119.03488	4.3
138.03198	5.0
139.11273	45.7
161.04518	4.4
165.05547	4.2
181.12347	17.7
183.10284	41.2
199.13318	5.5
225.11285	14.5
243.12289	15.7
272.97037	3.4
301.10806	18.1
331.11667	4.9
331.34375	2.7
343.11902	5.5
353.09702	2.7
405.15637	68.2
567.22607	100.0
577.18359	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	567.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11440	1.3
52.22166	1.4
59.01374	100.0
60.89553	1.8
71.01370	48.4
73.02934	32.4
75.00838	1.4
80.68310	1.6
83.01360	6.5
85.02933	15.5
89.02420	39.9
95.01375	3.9
101.02417	29.7
113.02416	39.6
119.03481	11.9
131.03494	2.2
159.78247	1.9
161.04579	2.9
162.81487	1.6
197.48532	1.4
229.51942	1.9
463.11832	2.2
463.21875	64.6
481.22842	28.2
523.24207	16.1
523.27045	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	567.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16615	1.0
53.14594	1.0
56.90290	1.0
57.03447	1.7
57.96550	1.5
59.01080	1.8
59.01375	31.6
62.97258	1.1
69.04452	1.1
71.01366	19.0
72.99293	2.6
73.02939	5.6
75.00867	25.6
85.02927	26.8
87.00847	7.5
89.02414	2.5
92.19323	1.3
95.01370	1.8
99.00857	9.8
101.02403	11.8
113.02424	30.8
121.02917	5.7
125.02434	1.3
141.01697	1.7
194.75571	1.2
236.23824	1.1
248.88431	1.4
523.23944	100.0
567.27673	8.8
567.36334	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	567.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42144	1.7
59.01366	5.2
71.01365	4.4
89.01248	2.0
89.02422	2.6
96.95970	2.6
101.02434	3.5
113.02397	3.0
128.35475	2.2
136.01656	3.6
151.04005	13.9
161.04512	3.9
166.02708	12.9
175.04118	2.1
175.07610	2.7
181.05063	25.8
282.05164	2.8
297.07690	27.5
312.10077	68.1
321.15161	2.2
327.08539	4.5
327.12384	100.0
345.13214	3.2
375.14481	55.9
387.14566	3.9
405.15530	43.3
523.20685	3.5
567.23706	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	567.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55090	1.4
59.01374	26.6
65.44570	1.7
71.01359	7.0
71.22186	1.8
73.02934	2.7
85.02954	1.7
88.97529	1.6
89.02425	3.0
99.55309	1.5
101.02422	2.7
113.02390	2.7
149.06024	4.0
151.03940	3.3
153.05519	3.1
160.65756	1.6
161.34558	1.6
164.04791	2.5
165.01859	2.5
165.05573	22.3
166.06342	23.6
179.07124	2.5
181.05048	6.5
181.08731	3.5
224.06914	7.6
225.07678	79.3
239.09154	7.3
567.20728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.209
Annotation	Amritoside C
Peak:m/z	Relative Intensity
53.14949	1.7
59.01381	39.9
64.44097	1.7
64.84422	1.6
67.43050	1.7
71.01363	11.2
72.51878	1.9
73.02924	19.1
83.01382	3.8
85.02940	2.9
87.00808	1.7
89.02416	7.5
93.16166	1.8
101.02424	10.1
102.55818	1.9
113.02409	11.0
119.03384	1.9
135.04533	2.8
143.10783	7.2
149.06100	2.9
161.04584	2.1
165.05516	13.2
166.06343	11.4
195.06664	3.3
223.06142	2.5
224.06856	16.9
225.07687	100.0
239.09245	41.3
243.02861	2.3
258.12524	2.7
314.28937	2.0
343.06155	8.9
376.76685	2.0
387.05090	10.0
405.15472	35.1
459.68805	2.0
523.21362	26.8
567.11438	4.4
567.20361	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2093
Annotation	Amritoside C
Peak:m/z	Relative Intensity
53.26147	3.9
59.01372	7.2
63.74830	3.7
71.01372	5.5
85.02962	5.2
87.00842	5.4
88.98818	6.9
89.02428	7.2
90.92532	3.7
93.03429	8.7
96.95979	34.0
98.95572	9.3
101.02412	4.6
113.02413	6.7
122.61162	4.1
135.04475	9.4
136.01624	33.0
137.02431	6.8
151.04007	100.0
166.02708	61.3
167.03503	8.1
179.05659	5.6
181.05057	96.8
261.48218	4.2
297.07672	23.6
312.10049	69.1
327.12375	73.1
357.09714	28.0
372.12033	27.1
375.14429	72.7
387.14462	96.5
405.15466	41.5
567.21362	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96205	1.0
57.03444	1.4
59.01378	24.1
71.01379	16.7
72.99297	4.8
73.02927	5.2
74.13168	1.3
75.00864	21.4
84.37854	1.2
85.02946	24.2
87.00861	7.2
89.02419	7.0
89.46906	1.1
95.01364	4.6
96.95985	2.2
96.96886	1.6
99.00867	8.2
101.02421	7.6
113.02431	29.0
115.00335	2.3
117.01890	1.9
129.01883	1.8
149.06061	1.3
161.04520	1.5
219.98187	1.2
392.50162	1.3
405.26593	1.2
427.57828	1.2
523.20319	100.0
567.23102	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	567.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81680	1.3
55.03120	1.4
55.50736	1.3
59.01371	9.6
61.07074	1.6
73.02928	1.7
75.84519	1.7
82.03481	1.6
101.02481	1.8
123.49487	1.6
137.02425	3.0
138.03201	12.6
149.06100	2.7
150.06769	1.9
151.03983	7.1
152.04794	2.8
153.05566	1.9
162.06895	2.3
165.05519	3.6
179.07106	8.7
180.07881	3.3
198.01756	1.5
220.07478	2.3
269.08215	1.6
289.11026	2.1
300.35172	1.8
301.10873	31.1
311.09302	6.5
313.10791	7.8
315.12326	3.9
328.12720	2.0
331.11734	10.9
340.09552	2.1
343.11774	17.6
355.11917	9.4
372.12122	3.5
373.12744	2.0
375.14542	2.9
387.14655	5.8
405.15579	100.0
523.27887	3.0
567.21143	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	567.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80450	0.9
59.01370	11.3
61.06997	1.0
64.07670	0.9
73.02932	16.2
101.02457	1.5
102.48549	1.2
112.66608	1.1
123.04472	2.4
135.04486	6.9
136.05283	7.2
151.04039	1.4
151.07602	6.2
165.05551	14.4
177.05507	1.3
182.81625	1.2
194.04207	1.2
194.05862	28.0
195.06613	100.0
204.04216	4.6
209.08173	69.2
219.06560	5.5
243.02890	4.9
264.02341	1.0
405.15536	81.7
429.15479	1.8
567.11829	2.9
567.20825	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	567.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.5
59.01377	28.5
68.99822	0.6
71.01371	17.3
72.99297	1.5
73.02929	3.8
75.00859	24.8
76.52615	0.5
83.01378	1.3
85.02940	23.5
86.19278	0.6
87.00861	8.0
89.02420	6.9
95.01363	3.6
96.95992	4.3
96.96934	0.7
99.00876	8.7
101.02426	8.0
113.02427	30.2
115.00328	2.6
117.01904	1.3
119.03448	2.4
131.03525	0.8
161.04250	0.8
164.67297	0.7
166.02634	1.0
173.04500	2.9
181.05054	0.9
307.31467	0.7
327.08630	0.9
405.15829	0.9
417.99039	0.7
518.62476	0.7
523.20306	100.0
567.15686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76520	1.3
57.46011	1.2
59.01381	38.7
71.01373	30.7
73.02943	12.8
83.01377	2.4
85.02956	17.8
87.00872	2.1
89.02434	13.0
91.05508	1.8
91.23617	1.6
91.29630	1.3
95.01369	2.9
99.00869	2.3
101.02428	28.7
113.02425	19.8
119.03493	3.3
125.02426	1.8
157.08627	1.7
161.04536	7.0
163.04088	2.1
167.03375	1.7
180.04247	2.6
182.02016	1.5
210.52043	1.5
213.19473	1.8
260.76923	1.6
275.15057	3.6
278.41263	1.6
312.09937	2.0
317.24234	1.6
357.13501	1.8
390.98630	1.7
405.15637	1.9
523.20374	100.0
567.15051	9.7
567.22961	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	567.1723
Annotation	Mulberroside A
Peak:m/z	Relative Intensity
58.62709	2.1
95.56377	2.0
97.96574	2.1
113.02433	2.3
122.94669	2.3
123.04508	13.8
125.02422	11.1
133.06557	2.3
135.04544	3.0
137.02429	2.9
137.06049	4.0
139.04007	4.4
155.03445	2.6
163.04010	2.2
165.05537	12.3
167.03511	42.5
179.03455	3.6
189.05553	5.1
197.04535	13.4
209.04549	55.0
221.04683	7.4
235.06354	2.7
239.05614	29.2
243.03836	2.3
251.05605	12.2
269.06696	3.8
273.07758	11.8
285.07666	2.4
315.08820	36.0
327.08746	21.0
341.10440	2.3
345.09924	12.4
354.07513	2.0
357.09824	100.0
369.09677	8.8
387.10907	81.9
417.11975	18.8
429.11960	7.5
447.13138	26.8
459.13113	8.9
477.13937	24.7
562.94122	2.3
567.17157	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	567.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30438	0.8
53.93681	0.7
57.10256	0.7
59.01375	9.4
60.00983	0.7
71.01367	2.1
73.02948	7.8
83.01368	1.0
85.02929	1.1
87.32313	0.8
89.02431	1.1
101.02422	5.0
106.25191	0.8
108.02169	17.5
113.02432	1.5
121.95126	1.0
123.04514	20.5
131.03529	0.9
145.02939	4.3
152.01146	61.5
160.05304	9.1
161.05975	1.1
162.03185	10.5
166.02692	1.9
167.03485	100.0
176.59096	0.9
177.05525	7.9
202.08553	0.8
209.39590	0.8
268.07471	1.1
310.40497	0.9
312.10089	1.3
327.08865	14.1
327.12357	2.0
521.54095	0.9
523.20343	4.1
567.16882	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	567.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.6
61.98826	30.6
71.01369	0.9
74.57124	0.8
77.45823	0.7
78.95885	0.8
83.76344	0.7
92.19984	2.0
96.95998	3.6
98.95592	1.3
99.04507	0.9
99.92583	9.2
100.93362	12.5
115.92067	14.5
116.92844	100.0
135.04483	0.9
141.93637	2.6
142.94405	3.6
143.01500	0.9
168.96010	1.3
183.94609	0.9
252.80727	0.8
311.95224	0.8
350.41919	0.8
463.10535	1.3
505.12494	1.3
523.12695	3.9
523.22156	0.8
567.11755	40.3
567.24969	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	567.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26015	0.3
53.92626	0.2
59.12744	0.3
64.62276	0.3
87.00882	0.5
99.04501	6.4
99.08797	0.3
176.03325	0.3
180.99077	100.0
181.13319	0.3
186.95932	0.3
187.02380	0.4
224.98064	12.3
257.44757	0.3
371.22162	0.3
446.08609	0.3
484.45285	0.3
523.10779	4.1
567.09686	15.1
567.18262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35439	1.3
59.01373	12.2
61.98805	2.3
66.86021	1.6
71.01387	14.3
72.31630	1.7
73.02934	7.3
74.99093	8.6
85.02941	7.4
95.01257	1.8
99.00858	2.1
99.07999	1.7
101.02423	15.7
113.02428	9.4
120.01225	67.5
161.04535	17.2
166.06323	3.3
181.08742	9.7
182.09062	2.6
281.52161	2.1
282.23569	1.8
283.20676	100.0
325.13098	2.3
325.27905	1.9
326.13275	7.4
343.14029	3.1
374.56558	1.8
424.40134	1.9
486.65576	2.3
506.21310	7.9
506.34039	2.2
524.22662	3.7
566.28528	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91173	2.0
61.98829	100.0
78.95900	5.5
119.05018	3.3
124.98058	2.4
134.06142	3.3
178.05913	2.3
179.07097	3.4
180.06645	17.5
208.03716	3.6
209.04158	3.7
223.06076	13.9
223.84061	2.4
224.06447	5.3
228.16991	2.6
235.14442	3.5
308.16144	9.9
495.78238	2.7
503.28677	53.7
545.21045	2.4
566.19531	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	566.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86853	1.1
57.03414	1.2
58.63884	1.1
59.01380	20.6
60.59138	0.9
61.98817	2.8
65.09259	1.0
71.01375	9.3
73.02929	4.9
74.99088	6.2
83.01395	1.1
85.02959	2.8
95.54609	1.0
101.02440	9.0
113.02430	6.8
120.01237	45.5
159.02954	1.8
161.04535	12.4
283.20682	100.0
287.04422	1.2
388.80185	1.2
462.31454	1.7
506.33954	14.3
524.35223	4.5
566.28021	84.4
566.35938	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	565.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62970	1.1
57.01183	1.2
57.03453	13.6
57.03683	1.5
58.00121	1.1
59.01377	87.3
61.98811	2.5
64.52595	1.2
65.36138	1.3
71.01372	23.4
73.02953	9.2
79.54760	1.3
83.01369	10.0
84.28558	1.2
85.02940	19.3
87.00866	5.4
89.02445	3.0
95.01395	2.6
97.02918	1.8
97.32057	1.3
99.00870	2.2
101.02422	21.5
111.00853	1.5
113.02434	18.3
116.92844	4.8
117.92848	1.5
125.02422	2.1
161.04518	1.9
171.13936	5.0
173.11786	10.2
185.15465	2.3
217.27353	1.4
344.59555	1.4
361.29639	19.6
458.24350	1.4
461.31235	2.7
465.21515	1.5
505.33838	100.0
519.24689	2.1
521.23975	2.3
523.34814	24.2
565.27106	4.9
565.35840	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.5
59.01378	100.0
61.98817	5.0
65.73833	1.0
68.22347	0.9
71.01369	17.4
73.02926	4.5
75.00858	4.3
83.01383	3.7
85.02926	16.3
87.00853	1.9
89.02432	4.3
95.01379	1.9
96.95978	2.4
99.00852	1.8
101.02422	14.7
113.02429	17.4
143.03522	1.2
173.11766	1.4
210.27481	1.0
276.19467	1.1
307.44571	1.2
315.25272	1.3
317.26877	1.1
461.31271	34.0
479.31989	9.0
505.33762	15.9
521.22430	13.1
521.33447	17.5
523.35193	1.8
536.98389	1.2
565.36096	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	565.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
71.24801	0.7
72.00896	1.6
73.03397	0.6
74.02466	1.0
81.40749	0.7
85.82455	0.6
88.03955	0.7
93.03411	0.9
101.02424	0.9
113.02445	1.1
116.05041	1.4
117.03412	0.9
118.06600	1.3
118.35502	0.7
119.05006	6.3
129.10326	14.7
134.06082	11.3
139.08774	3.1
143.11876	7.7
155.08247	20.1
155.11859	1.0
163.03975	5.8
169.09761	1.7
180.06673	17.8
187.05075	7.1
187.10838	1.7
195.08186	0.9
197.06123	1.4
208.03688	1.2
213.13950	3.2
222.09256	1.2
223.06068	2.8
241.05063	11.6
242.11948	2.3
245.16559	2.8
247.14502	1.6
249.16116	12.2
257.12778	1.3
267.02951	0.9
275.14038	1.6
288.17209	0.9
293.14993	9.4
340.23993	3.0
377.18643	3.2
394.21213	1.0
565.14032	7.4
565.30267	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	565.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19095	5.3
59.01381	9.1
61.20171	4.6
63.69068	4.5
69.32070	5.5
75.53218	6.3
85.29768	5.7
123.81361	5.4
158.03709	11.2
159.04517	10.2
172.05342	12.8
174.03203	43.4
242.44009	6.7
312.95667	6.1
341.24887	100.0
357.24222	24.8
359.25711	6.6
385.23953	80.8
454.06699	5.4
465.43542	5.6
547.29102	12.5
565.29816	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56104	13.2
67.33611	12.9
68.47691	12.2
78.95927	17.5
79.12073	12.9
82.18869	13.5
87.00858	63.8
95.98979	14.4
96.96970	20.5
122.03693	17.3
158.92595	20.1
176.03288	14.7
203.77399	13.6
311.22379	28.0
392.95984	15.9
565.26166	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	565.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
59.01378	42.8
61.94778	1.5
61.98814	1.8
63.83434	1.7
70.67107	1.6
71.01380	19.6
73.02932	9.7
75.00863	7.3
78.95869	1.6
83.01340	2.5
83.71307	1.6
84.63619	1.8
85.02956	24.9
86.00055	1.5
87.00848	3.0
87.12885	2.0
88.55592	1.7
89.02439	4.1
92.00160	1.9
95.01376	3.6
96.96930	2.7
97.02898	2.4
99.00874	3.6
101.02441	21.2
104.59715	1.6
113.02425	23.9
130.09393	2.0
157.30138	1.8
161.04488	2.4
163.30644	1.9
179.14429	3.2
197.83759	1.8
218.99376	2.0
241.14468	3.0
273.40005	1.8
279.32401	1.9
281.34674	1.6
287.20181	50.5
299.20151	17.9
317.17816	3.1
317.21225	39.1
318.63892	1.8
332.63431	1.8
431.24460	8.4
443.24173	9.9
461.25439	63.8
479.26578	30.0
505.33768	2.6
521.28094	100.0
565.25104	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	565.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73023	0.7
54.63728	0.8
55.01856	0.9
59.01374	19.0
71.01374	21.9
71.05038	0.9
73.02948	4.7
83.01382	2.1
85.02962	5.7
87.00861	5.7
89.02432	17.5
101.02430	27.4
113.02415	13.2
119.03483	6.9
123.08174	1.0
131.03461	10.6
135.08217	1.3
143.03484	2.2
145.10240	1.0
159.02946	1.6
161.04546	14.4
179.05635	1.4
197.11888	1.4
221.06635	7.1
223.09790	5.3
223.13388	17.6
224.63885	1.0
241.10838	2.0
388.91379	0.9
403.19766	8.2
435.32004	0.9
565.25171	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	565.2292
Annotation	5alpha-Decinnamoyltaxigifine
Peak:m/z	Relative Intensity
54.63303	3.2
55.26336	3.7
58.31546	3.3
59.01377	58.5
71.01371	23.7
73.02926	17.8
74.93078	4.0
78.95905	28.9
83.01379	17.8
85.02943	24.2
89.02415	6.4
96.96915	15.5
101.02428	42.5
103.73551	4.3
112.01683	5.4
113.02415	17.5
158.92505	5.5
166.06326	15.5
166.28755	3.8
179.07089	5.5
181.08678	97.3
210.88374	4.7
310.10391	5.3
323.02859	5.3
325.12976	63.0
343.13956	37.7
385.15152	5.6
505.21002	45.1
521.26080	4.6
523.22192	29.0
565.04810	17.6
565.22760	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	565.2289
Annotation	5alpha-Decinnamoyltaxigifine
Peak:m/z	Relative Intensity
50.48002	2.5
59.01374	38.5
59.94991	2.6
65.15533	2.7
70.12617	3.2
71.01380	20.8
73.02929	3.6
78.95897	19.2
85.02938	13.3
89.02459	6.7
93.70862	3.5
94.60654	3.0
96.96959	7.6
99.00921	3.5
101.02415	7.4
113.02443	12.4
122.03735	7.3
137.02518	3.2
151.04033	4.4
161.02435	5.6
162.06955	4.2
165.05556	19.0
185.66154	3.7
213.32683	3.2
236.89084	3.2
241.24261	3.3
254.94431	3.0
298.12195	4.1
299.08963	5.1
311.09085	3.8
313.10870	6.8
313.14328	4.4
318.25885	3.6
326.11404	5.2
328.13190	5.9
328.30353	3.6
329.14291	3.8
341.10016	11.0
343.07813	3.7
343.15475	14.7
346.14236	7.1
355.08020	15.0
358.10629	42.8
361.16614	68.0
370.10709	24.1
373.12830	59.3
385.12793	30.5
403.13837	27.8
462.30121	3.8
505.20807	100.0
523.21844	39.2
565.04962	7.3
565.22577	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	565.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28045	1.7
57.03426	2.5
57.31425	1.4
59.01372	46.5
61.98830	2.5
71.01370	23.9
72.99293	1.7
73.02945	14.4
73.03284	1.4
75.00869	27.5
76.56719	1.7
76.64194	1.8
78.95914	12.7
83.01379	6.9
85.02939	29.2
87.00893	5.8
89.02428	8.2
90.44094	1.7
93.96566	1.6
94.06353	1.6
96.96979	3.5
99.00844	8.7
101.02422	17.6
109.80411	1.7
113.02423	32.6
115.00348	2.6
119.03452	3.0
131.03532	2.2
135.38622	1.6
158.92502	2.9
298.04590	1.5
323.02737	2.6
461.31213	7.3
521.22223	100.0
565.04919	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	565.2137
Annotation	Chinikomycin B
Peak:m/z	Relative Intensity
57.03446	14.1
59.01090	1.0
59.01379	25.9
62.48442	0.7
62.56083	0.7
71.01369	17.7
72.99290	3.6
73.02916	3.7
75.00865	16.1
75.36517	0.8
78.95894	6.5
80.20327	0.8
83.01370	1.8
85.02934	18.6
87.00863	6.9
89.02429	10.9
95.01369	1.9
96.96925	3.5
97.02917	3.2
99.00867	8.6
101.02427	13.5
103.00346	1.1
107.08656	0.9
111.00888	0.8
113.02426	33.5
115.00339	3.2
117.01898	1.4
119.03476	3.5
119.04957	4.1
120.40083	1.1
125.02361	0.9
126.52299	0.9
129.01909	1.1
131.03458	4.2
147.11824	6.3
158.92500	1.4
159.65219	0.8
167.03444	1.0
173.04498	5.1
175.02463	1.5
187.03947	1.2
193.01447	1.9
193.03619	1.9
209.11839	1.8
209.82178	0.8
235.02428	4.0
235.04562	2.2
241.01192	1.3
257.42929	0.8
265.03586	1.5
313.07162	6.1
323.02762	1.8
325.07095	3.2
343.08267	1.1
355.08252	16.1
367.08292	0.9
385.09348	12.5
389.18231	5.5
415.10373	1.8
435.53366	0.9
445.11282	1.0
475.12479	4.3
505.19519	1.8
544.66644	0.9
565.03815	3.4
565.22052	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	565.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15916	1.1
59.01370	3.4
62.50517	1.3
63.56322	1.2
70.31969	1.3
78.75429	1.3
78.95909	11.7
93.14289	1.4
96.96954	2.0
111.67260	1.4
116.41634	1.6
121.73856	1.4
122.03706	3.6
149.02432	6.8
150.03204	87.5
153.85637	1.6
157.51283	1.7
164.04764	5.8
165.05548	100.0
174.72009	1.5
180.04228	7.3
195.06624	34.8
243.19556	2.4
311.09222	18.2
313.97122	1.8
323.02747	3.2
339.08722	87.4
354.11102	15.3
369.13437	63.3
387.23898	2.6
558.29761	1.9
565.04681	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	565.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09087	1.4
54.37206	1.3
59.01375	2.8
59.10202	1.3
65.24925	1.6
78.95911	12.2
78.96275	1.5
84.24105	1.5
96.96938	7.8
112.94158	1.7
121.02908	3.1
122.03723	2.9
149.02402	24.0
150.03209	100.0
158.70010	1.4
158.92461	1.7
160.01608	2.0
164.04749	8.1
165.05548	92.0
180.04311	7.0
195.06612	42.8
207.02962	2.1
247.25623	1.5
264.44095	1.7
296.96317	2.0
311.09235	13.9
323.09128	2.3
339.08722	63.5
340.09167	1.6
354.11163	12.7
364.54971	1.4
369.13449	57.3
372.67432	1.7
415.73074	1.6
421.33612	1.6
427.11813	1.8
501.00504	1.8
517.18719	22.7
518.41608	1.6
565.04584	8.5
565.20020	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	565.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14853	1.4
65.91829	1.6
66.21720	1.6
66.53220	1.4
71.01366	4.2
78.95893	42.3
86.39049	1.6
96.95996	22.7
96.96941	21.6
101.02425	1.9
103.10413	1.7
108.02146	10.8
111.01964	4.1
116.03496	3.2
120.52086	1.6
123.04523	19.0
127.05112	2.7
128.03516	42.8
149.02448	7.2
150.03203	35.8
153.06683	3.0
158.92520	12.4
164.03479	3.8
164.04790	3.5
165.05553	55.2
167.03435	8.7
177.04292	2.5
178.05025	2.7
180.04315	2.8
192.06683	10.4
195.06635	3.4
201.08752	17.9
211.00026	2.1
218.04457	2.1
219.09798	3.9
234.07570	2.0
241.01198	2.7
250.09473	2.8
272.95685	2.9
279.73337	2.0
323.02954	19.4
341.74512	1.9
351.11932	6.9
547.19226	7.1
565.05640	22.6
565.20367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71814	0.9
59.01370	6.9
59.01649	0.9
61.45208	0.9
71.01379	4.8
73.02950	1.4
78.95880	1.7
85.31849	0.9
89.02417	1.9
95.34003	1.0
96.88890	1.0
96.95973	1.3
96.96918	1.4
98.00420	0.9
101.02436	4.3
104.46574	1.0
113.02456	1.8
121.02993	1.1
122.18632	1.0
130.04921	0.9
148.05321	4.2
160.05292	1.4
162.03198	1.4
176.04799	2.1
191.03563	2.4
191.07104	11.0
192.04224	1.9
204.04225	1.3
205.05101	1.8
206.05875	6.1
219.06641	4.0
220.03809	2.2
235.06065	4.0
238.04799	5.7
241.10866	2.0
262.33481	1.1
263.07202	1.2
267.06592	18.3
279.06601	9.1
282.09006	28.5
294.05316	3.9
294.08929	17.2
297.11337	24.8
309.07678	7.8
309.11328	6.1
311.05627	4.1
322.08331	2.3
323.05698	9.8
326.08014	26.1
327.08627	1.8
338.07986	18.4
341.10294	36.5
353.10239	16.9
359.15042	6.6
371.11288	11.7
403.13980	100.0
426.64319	1.2
453.20074	1.2
565.21466	7.0
565.28430	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41965	1.1
55.17414	1.7
59.01369	3.0
74.22498	1.2
78.95885	6.1
92.96329	1.2
96.95994	1.7
96.96914	1.8
148.05295	23.3
150.03203	2.1
160.05328	16.7
161.06136	2.2
162.03206	8.0
162.06833	2.8
163.03922	12.8
175.07539	1.4
175.44366	1.3
177.05582	4.9
178.06342	7.7
180.04234	5.3
185.94054	1.3
191.07068	1.6
192.04292	5.1
197.11737	1.4
204.04279	13.5
205.05090	15.0
211.00166	1.5
219.06593	3.0
221.04594	1.8
222.05305	3.1
224.03166	2.0
268.75772	1.5
296.07010	1.7
311.09189	4.6
314.11642	2.2
326.08136	2.3
326.11606	15.8
329.13885	11.9
341.13800	12.6
359.15002	19.2
403.14011	100.0
565.04987	5.5
565.21045	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	565.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
64.11559	0.7
71.01383	0.8
73.56409	0.7
75.36549	0.8
78.95901	4.5
85.02937	0.6
89.02451	1.2
96.96938	1.4
146.98727	0.7
149.02444	3.0
152.01088	1.3
161.02444	1.2
164.04776	13.8
164.39235	0.7
179.07126	11.2
193.01376	1.5
195.06712	1.0
208.03763	55.6
223.06100	100.0
297.07584	1.0
311.09476	1.4
323.02872	1.6
325.10901	0.9
355.08182	5.4
358.10413	1.7
370.10504	5.3
373.13229	2.5
385.12857	9.1
403.14044	18.1
468.43982	0.8
565.04907	3.2
565.19330	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	565.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	9.1
59.24868	1.5
63.07124	1.6
66.87878	1.7
69.97537	1.5
72.14851	1.6
72.25714	1.6
78.95887	9.1
83.01360	3.9
89.77168	2.1
96.96983	5.7
111.00867	7.5
123.00877	4.1
127.00352	8.5
136.98775	4.2
137.02487	1.8
138.03189	20.5
139.00352	83.0
151.00383	2.0
153.01897	15.5
166.02708	37.3
180.04239	3.5
276.45572	1.9
305.51770	2.0
329.06805	2.5
346.10648	7.1
358.10794	2.3
361.12949	100.0
403.10159	3.7
515.20667	1.7
526.87872	1.8
560.42133	1.9
565.04810	6.4
565.19257	17.1
565.26886	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	565.1928
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.30307	1.4
55.43823	1.4
56.14803	1.5
64.98377	1.8
100.51427	1.6
106.64057	1.7
147.36937	1.9
161.02435	12.2
257.04413	1.8
285.07602	2.7
298.08380	3.2
299.09247	12.3
311.09229	8.4
313.10849	17.0
314.11496	13.0
325.10770	8.1
326.07944	2.5
326.11514	6.3
327.12503	2.2
339.08206	2.0
341.10205	19.4
343.08105	7.7
355.08240	30.0
357.09857	3.2
358.10568	74.0
370.10590	57.3
373.12894	100.0
385.12851	45.9
399.34503	1.8
403.13956	39.5
449.33322	2.2
565.19403	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	565.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76874	1.8
59.01372	4.2
78.95895	2.1
151.03937	4.2
161.02385	13.7
213.05502	3.2
275.86340	2.0
285.07828	3.2
296.06924	1.9
299.09186	14.7
311.09213	9.3
313.10797	11.8
314.11563	10.1
325.10797	10.3
326.11487	3.5
338.07748	3.0
341.10220	18.8
343.08304	4.5
353.10269	2.7
355.08215	34.3
358.06445	3.7
358.10602	73.5
364.59534	1.9
370.10568	48.4
373.12906	100.0
385.12927	47.5
403.13867	34.5
565.19086	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
59.31575	0.5
60.40825	0.6
60.45757	0.5
66.04331	0.6
70.32471	0.5
71.01370	7.3
73.02941	2.9
78.95895	8.5
79.95758	1.0
85.02946	2.8
89.02425	4.8
96.95998	100.0
96.96891	5.6
98.79679	0.6
99.00858	0.9
101.02439	6.4
104.03353	0.5
111.02064	0.6
113.02432	5.8
119.03446	0.7
125.06074	5.7
125.30080	0.5
131.03452	1.1
137.09714	0.7
143.03503	0.8
148.34146	0.6
161.04572	2.5
165.10390	0.5
221.06680	1.0
241.01202	0.6
323.02856	3.0
384.98941	0.7
465.60559	0.6
491.17728	1.3
565.04803	3.2
565.21234	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	565.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
56.37054	1.1
57.03438	3.2
59.01371	5.5
71.01385	2.2
73.02910	1.7
78.95901	20.0
83.01371	2.1
85.02930	59.9
87.00831	1.9
96.96941	8.9
101.02422	11.5
111.00861	28.2
129.01917	17.5
147.02924	3.0
158.92491	2.4
161.04446	1.4
205.03523	31.6
223.04581	100.0
257.13980	1.3
260.48856	1.4
263.31198	1.3
323.02783	6.2
342.77243	1.5
391.61920	1.4
403.41196	2.0
565.04712	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	565.178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39065	4.2
59.01381	100.0
71.01383	85.1
73.02950	12.6
73.53607	4.6
78.95905	63.6
80.91212	5.0
80.98981	5.1
83.01373	6.0
85.02930	35.5
87.00854	11.6
89.02432	99.8
96.95983	11.3
96.96929	46.3
101.02441	86.1
113.02437	67.6
119.03461	31.7
131.03474	30.1
143.03476	6.4
158.92464	8.8
161.04576	40.3
166.60384	5.4
179.05624	80.0
221.06633	60.3
232.93954	5.3
241.01225	8.4
263.07748	37.3
323.02826	21.3
339.81061	5.9
403.14001	19.8
521.18964	11.8
565.04718	28.8
565.21985	9.0
589.16821	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	565.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19429	3.2
51.24702	3.5
53.03119	4.1
64.21455	3.9
64.68050	4.2
65.21782	4.4
78.95887	33.8
96.96011	5.0
96.96927	29.6
107.04990	9.0
110.55923	4.7
111.01949	4.6
133.06500	7.9
149.06096	19.2
153.31311	3.9
177.05577	38.9
179.03441	58.8
202.85596	4.1
239.05602	100.0
241.01143	6.3
278.17657	4.9
319.45306	5.0
323.02756	17.5
323.31458	4.4
565.04657	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	565.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.3
59.01376	28.4
71.01374	22.7
72.99313	2.5
73.02925	3.6
75.00872	21.8
78.68459	2.4
78.68954	2.5
78.95917	20.8
85.02937	21.9
87.00873	5.6
89.02413	11.6
95.01392	5.2
96.59700	2.4
96.96943	16.9
97.02882	3.7
99.00898	9.3
101.02417	12.3
113.02432	39.4
119.04996	13.6
129.48746	2.7
131.03491	4.0
145.02927	3.5
158.92534	3.3
167.03456	2.9
173.04465	4.4
193.01434	11.3
193.03537	2.6
235.02457	10.6
265.03583	3.3
272.95587	4.3
285.65298	2.5
313.07175	20.7
323.02896	13.4
337.94519	3.0
343.08319	4.1
355.08203	37.6
385.09320	41.5
389.18427	3.5
403.13800	3.2
415.10480	13.6
427.10718	4.0
475.12445	6.3
565.04443	12.3
565.15179	65.6
565.23016	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	565.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68153	2.0
59.81098	1.9
62.35949	2.0
78.95898	100.0
81.07050	2.3
96.96019	2.8
96.96949	58.6
108.18371	2.3
110.74986	2.4
111.01996	12.8
138.98015	5.1
150.97993	8.6
151.03967	2.4
151.99324	2.0
158.92516	18.7
163.07516	2.3
174.97919	2.1
179.81664	2.4
201.95514	2.7
211.00134	10.2
241.01221	10.3
253.26192	2.8
272.95679	12.6
323.02908	42.2
435.04355	2.5
458.08823	2.4
458.15955	2.2
529.19183	2.2
565.04791	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0478
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
53.36807	0.6
54.82753	0.8
68.73178	0.7
69.23200	0.8
74.12325	0.7
78.95895	100.0
90.15923	0.9
94.09091	0.8
96.95972	2.7
96.96942	56.0
104.79375	0.9
109.04112	0.8
111.01965	12.5
120.96942	1.2
134.60858	0.7
138.98003	6.6
147.07013	0.8
150.97980	5.7
158.92497	23.2
174.97987	1.7
176.93597	3.3
192.99001	3.9
211.00101	8.4
241.01195	12.7
272.95734	10.6
280.02155	5.2
305.01770	2.0
320.97769	3.0
323.02847	47.5
384.98331	4.7
421.24170	1.0
565.04749	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87543	0.3
58.02972	0.5
58.08816	0.3
59.01371	0.4
74.18304	0.3
74.30141	0.3
92.19971	0.6
96.96011	0.5
103.90233	0.4
115.08716	0.6
135.04501	0.9
137.49910	0.3
152.07144	1.4
152.65051	0.5
161.02432	22.5
161.23218	0.4
196.06163	0.9
240.20769	5.5
242.67313	0.4
292.46872	0.4
306.18314	0.7
360.22849	1.5
375.19897	0.4
402.23987	100.0
520.22095	0.6
536.99615	0.5
564.15851	1.1
564.29315	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	565.0475
Annotation	UDP-Galactose
Peak:m/z	Relative Intensity
55.75767	0.7
63.14865	0.7
78.95895	100.0
85.02921	1.5
87.00861	10.6
87.57817	0.8
96.96944	50.8
111.01977	10.2
119.50467	0.9
138.98007	4.2
140.97626	0.8
150.97995	5.8
158.92520	21.9
164.03505	1.1
176.93637	1.7
192.99115	1.1
211.00162	8.8
223.04666	1.6
241.01198	11.8
243.04979	1.7
272.95712	9.0
280.02213	1.8
305.01794	1.5
320.97833	2.0
323.02869	39.3
384.98517	1.8
565.04822	60.5
565.13666	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	564.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51736	0.4
58.69463	0.6
69.31250	0.4
89.00191	0.5
92.19401	0.8
99.92560	4.0
100.93366	0.7
116.92844	100.0
120.99637	1.2
133.44794	0.5
200.40169	0.6
247.90561	0.5
402.56525	0.5
546.16949	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46066	2.8
59.01373	6.8
59.45390	2.8
62.49996	3.1
84.04547	17.3
89.30458	3.0
102.05597	35.4
121.56735	3.2
128.03532	69.0
137.70288	2.9
146.04601	15.9
151.03981	19.4
165.05550	5.0
166.06340	3.7
203.28091	3.1
207.06488	3.6
224.06853	3.3
225.07761	28.9
239.09213	6.6
292.11920	3.5
310.12988	3.7
564.20862	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	564.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
60.03542	0.7
60.82818	0.8
71.01379	1.7
77.54739	0.8
78.12427	0.8
79.95731	0.9
80.82185	0.9
93.03433	18.8
96.95996	55.2
101.02412	1.3
104.85030	0.8
113.02486	1.0
137.02434	100.0
161.02583	1.3
191.27687	1.0
203.27246	0.9
250.10873	16.5
299.07742	19.8
321.69754	0.9
366.72455	0.9
564.16852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87701	0.2
52.10727	0.2
59.01363	0.3
71.01371	0.6
74.49374	0.2
79.95708	1.0
89.83272	0.2
92.19894	0.3
96.95994	100.0
116.65917	0.2
146.08212	1.7
159.04465	0.3
239.05414	0.3
254.26587	0.3
422.16766	3.3
500.58646	0.3
564.11542	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	564.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60697	0.3
52.41609	0.3
54.92294	0.3
59.01386	0.9
60.48965	0.4
71.32986	0.4
71.91068	0.4
83.04776	0.4
99.92587	3.6
116.92840	100.0
135.04510	0.9
180.77176	0.5
212.79286	0.4
226.66129	0.5
295.98260	0.4
311.02570	0.6
444.69193	0.5
507.51080	0.4
546.16882	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	563.359
Annotation	Fungicide K 99-5278B
Peak:m/z	Relative Intensity
52.90496	1.0
53.00721	1.0
57.83123	1.2
59.01380	34.6
60.85215	1.2
66.06681	1.2
68.30350	1.2
70.59294	1.4
72.37427	1.2
80.96481	2.5
96.53505	1.3
97.61425	1.3
98.99862	1.3
101.98947	1.3
103.04005	76.5
128.10364	1.7
132.69814	1.4
134.74396	1.4
135.92334	1.4
225.00810	1.5
243.55170	1.3
369.31519	1.7
379.30356	2.1
397.31119	2.3
415.32043	1.7
441.30075	2.0
459.31186	46.7
563.25873	7.9
563.35846	100.0
571.96631	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	563.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80131	76.4
62.74664	73.3
65.98393	72.9
103.14009	90.3
116.45620	88.4
125.49382	84.5
126.28999	100.0
147.67245	90.8
150.31998	91.4
201.98334	94.1
214.37053	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
59.01376	81.9
62.87509	1.1
71.01369	31.0
73.02925	12.3
75.00842	1.3
83.01372	4.8
85.02945	20.2
87.00855	2.9
87.44183	1.3
89.02438	10.6
95.01375	5.2
97.02927	1.8
99.00867	1.9
101.02431	24.8
112.01648	1.5
113.02435	27.7
119.03517	1.4
123.08146	1.9
125.02399	2.5
141.09175	2.6
161.04546	4.6
169.12346	1.4
171.13968	2.8
187.13383	6.3
225.07181	1.4
359.28137	11.1
477.23453	2.2
503.32263	100.0
519.24396	20.2
521.33392	21.0
563.34589	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18569	0.7
56.62313	0.7
57.03454	2.0
59.01371	16.4
60.16942	0.9
71.01367	19.8
72.99319	1.6
73.02934	5.0
75.00859	22.1
83.01379	2.0
85.02934	26.4
87.00847	8.3
89.02431	6.3
95.01372	5.0
99.00864	6.3
101.02426	12.0
104.83002	1.1
111.00858	1.1
113.02425	33.1
115.00331	2.1
117.01891	3.5
129.01898	1.3
132.01942	0.9
135.04512	2.0
161.04530	1.1
179.03493	1.1
260.59900	0.9
296.06635	1.1
297.07687	4.0
311.05768	1.7
325.07120	4.4
331.97897	0.9
335.05499	1.1
353.06650	21.6
365.06628	3.9
383.07730	15.0
443.09863	1.4
479.52267	0.9
563.14020	30.4
563.23413	100.0
569.08813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12976	1.4
55.01889	2.3
56.45291	1.5
57.18014	1.8
59.01085	2.9
59.01376	84.2
65.78311	1.5
71.01372	40.4
73.02940	20.9
81.91696	1.5
83.01376	3.9
85.02937	24.0
87.00860	3.5
89.02425	10.6
95.01357	2.5
97.02946	2.0
99.00894	3.6
101.02427	48.7
113.02432	27.2
116.92860	1.7
119.03475	2.9
125.02448	1.8
150.82022	1.6
159.03044	1.8
161.04573	13.2
215.00748	2.0
217.45946	1.6
315.18106	13.4
327.21860	3.3
347.20819	7.8
389.21622	2.0
401.15894	1.8
404.68524	1.6
477.23352	7.8
503.32288	18.9
519.24487	100.0
521.33398	7.3
563.33911	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	563.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	55.9
61.96218	5.8
66.19234	5.3
71.01363	43.4
73.02940	10.7
85.02946	25.2
88.90903	6.0
89.02406	8.5
92.19350	12.9
93.87555	5.6
95.01289	8.8
97.83136	5.1
99.00838	5.2
101.02441	56.8
108.99460	5.4
113.02422	31.6
120.99627	11.6
130.50621	5.4
180.52055	5.5
310.61472	5.6
477.23288	26.3
519.24469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66455	3.8
57.03444	5.6
59.01382	99.8
70.89095	3.8
71.01377	52.0
73.02927	17.6
83.01367	15.5
85.02925	36.3
87.00847	5.8
87.87099	3.4
89.02420	27.5
90.08408	3.6
90.16784	3.1
91.52098	3.4
95.01379	5.2
96.19352	3.9
97.02915	4.2
99.00860	6.5
101.02422	64.6
113.02423	48.0
119.03463	4.5
125.02376	5.9
134.27567	3.8
134.28882	4.4
161.04546	23.7
176.78659	3.9
357.19067	7.1
459.22351	4.4
473.52478	4.0
477.23462	59.0
490.00381	5.4
519.24524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.01366	32.7
73.02935	80.4
83.01386	12.3
85.02936	13.6
89.02431	18.3
101.02425	58.2
113.02447	34.8
119.03461	5.9
127.54894	3.4
134.41678	4.0
143.43828	3.3
149.04462	5.1
160.05299	16.2
161.04529	15.5
162.33168	3.5
173.06056	5.7
175.07678	5.2
189.05518	4.5
190.06355	23.9
205.08730	18.0
281.08173	5.2
296.10526	19.6
311.12808	16.8
336.06253	4.2
337.07172	43.4
338.07996	4.2
339.63943	3.8
341.13901	40.7
353.06616	39.2
356.09119	3.7
368.09201	6.9
371.11362	3.8
383.11313	53.7
401.12387	7.8
503.19220	43.4
563.21387	25.3
563.29651	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	563.2141
Annotation	Briarlide P
Peak:m/z	Relative Intensity
57.03450	2.9
59.01378	100.0
59.07278	2.1
63.96513	2.5
71.01372	41.5
73.02939	46.3
75.00863	2.9
83.01379	14.1
85.02942	21.4
87.00864	4.2
89.02425	19.2
93.78044	2.4
95.01368	3.9
99.00834	3.8
101.02430	51.7
113.02444	32.2
119.03527	3.4
123.04441	2.7
131.03513	2.7
149.09657	3.7
160.05307	4.9
161.04550	6.2
164.04849	4.6
176.54088	2.6
179.07130	53.1
190.06400	2.6
210.11903	2.4
237.07690	3.1
246.73700	2.6
289.07251	3.3
311.09244	5.7
311.12869	3.6
326.11560	5.1
329.13760	10.4
341.14029	19.2
359.14911	12.3
414.24265	2.9
484.83505	2.7
503.19415	37.0
503.32050	3.0
519.20190	3.6
521.20636	20.1
529.16595	2.7
563.21765	58.5
563.30383	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	563.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53523	0.8
51.55002	0.8
57.03170	0.9
57.03440	1.8
59.01381	18.0
59.72577	1.0
65.65636	0.9
67.11751	0.9
71.01373	19.1
71.22744	1.0
72.99292	4.8
73.02930	13.4
75.00857	18.7
83.01360	4.9
84.01230	1.1
85.02938	23.9
87.00871	5.5
89.02431	4.9
95.01371	1.8
96.96059	1.1
97.02926	1.8
99.00868	8.2
101.02431	8.3
103.00327	1.6
113.02436	28.3
115.00362	1.6
117.01923	1.1
121.10209	1.7
129.01949	1.9
131.03525	3.8
137.02444	1.6
137.71948	1.0
157.01479	1.2
173.04523	5.5
175.02489	1.3
193.03610	4.6
235.04562	5.0
277.02637	1.0
281.33148	1.1
326.07925	1.9
326.11664	1.1
341.10123	1.4
357.13461	1.0
359.15128	1.1
397.09415	1.3
545.18744	1.2
563.19849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98356	0.7
59.01378	39.7
60.02205	0.7
64.95248	13.8
67.35391	0.9
70.22308	0.8
71.01374	5.3
72.99305	1.3
73.02944	1.4
83.01388	1.4
85.02954	3.3
87.00858	24.0
89.02426	7.8
94.78667	1.0
95.01398	1.7
99.00853	5.9
101.02415	4.1
107.38905	0.9
111.00860	3.7
112.98800	3.9
113.02367	1.8
115.00340	2.2
118.98873	0.9
119.03479	1.5
123.00870	3.7
133.01414	1.9
138.03178	1.2
142.99812	1.7
144.92233	0.9
145.01427	1.7
153.05557	6.2
166.02698	1.2
173.00890	6.1
174.01678	3.5
176.04776	4.4
177.01564	1.4
177.07758	9.2
178.06366	4.6
179.07133	11.1
181.05037	5.2
191.03423	1.3
191.07161	4.5
193.08673	12.8
194.05843	15.9
202.93764	0.9
205.05098	1.9
206.05855	5.0
207.06671	1.9
209.08212	26.9
218.05757	1.8
220.07474	1.0
221.00603	8.1
221.02817	2.7
221.08183	6.0
234.05354	3.8
237.07675	1.4
246.05186	1.2
247.02338	1.0
249.07693	9.7
262.04794	13.5
264.06299	3.8
265.07175	18.5
276.06409	4.2
277.07178	31.3
337.09290	8.8
341.10950	8.8
365.47372	1.2
427.12433	1.8
503.15662	0.9
508.57245	1.0
534.34265	1.0
563.16199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.99304	3.2
63.63881	1.2
67.63367	1.2
71.01376	10.6
72.99296	22.8
73.02926	1.2
74.00074	2.4
75.00851	1.3
77.42648	1.1
78.08716	1.1
79.16267	1.3
80.42051	1.2
87.00847	2.9
89.02430	67.4
92.19379	2.5
95.84549	1.2
96.18785	1.3
99.00884	1.5
101.02437	5.7
111.00862	1.4
113.02411	2.6
115.00347	8.5
117.01891	15.2
119.03478	1.7
123.93799	1.2
133.01410	30.6
145.01399	6.5
161.00832	1.9
177.07635	17.0
179.05521	1.6
183.00987	1.5
206.73448	1.5
211.09468	1.5
221.03035	23.9
262.04825	1.3
265.07001	2.0
277.07025	3.2
341.10910	19.9
452.92227	1.5
495.65234	1.5
551.10040	1.3
563.16315	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	563.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15146	1.0
59.01376	100.0
66.81985	1.3
71.01382	9.6
72.99297	8.5
74.13168	1.1
78.95876	1.1
82.32052	1.2
85.02937	1.3
87.00832	1.3
89.02431	38.5
101.02423	4.7
109.53056	1.2
113.02393	2.0
115.00337	2.5
117.01906	5.2
119.03468	2.7
122.31436	1.2
126.69148	1.3
129.01950	1.5
133.01416	15.3
135.06638	1.3
141.69315	1.3
145.01382	6.6
154.33965	1.1
177.07655	17.4
221.03029	13.2
221.06656	1.8
257.67200	1.2
339.26682	1.3
341.10873	19.6
372.18524	1.3
503.15796	2.3
512.98193	1.2
563.16174	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27726	1.3
59.01376	8.7
59.76812	1.5
60.18173	1.5
65.29872	1.5
68.38620	1.5
70.46339	1.7
71.01366	3.6
87.61180	1.7
89.02434	2.9
92.19373	2.1
101.02432	3.7
110.58979	1.6
119.03483	2.0
131.80551	1.7
141.43163	1.5
193.05061	3.9
234.72226	1.8
239.52567	1.6
275.75076	1.6
279.06577	7.8
286.18307	2.0
309.07654	8.0
322.04871	3.9
322.33868	2.0
323.05621	11.1
336.06323	7.0
337.07196	82.6
338.04199	3.8
338.07898	10.2
351.08737	2.6
352.09558	15.4
353.06644	65.3
353.10568	4.3
368.09119	7.8
383.11380	100.0
563.14014	3.4
574.85565	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	563.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	19.3
69.64520	2.8
101.02399	7.5
131.22729	2.9
134.96887	3.2
161.04420	4.1
279.06589	4.7
297.07562	16.2
297.11288	15.9
301.66040	3.5
309.07642	20.3
312.10028	15.2
324.06500	6.4
324.09882	4.3
327.12277	13.1
336.05997	4.6
337.07245	64.1
338.04218	3.7
338.07828	11.1
339.08698	6.6
341.06546	18.7
352.09430	21.0
353.06702	52.9
353.10501	5.7
356.09030	28.1
368.08893	6.9
371.11368	59.4
383.11414	100.0
416.12823	3.6
519.18610	16.8
563.18579	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	563.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	7.7
69.31296	1.9
85.02920	1.9
113.02426	2.0
151.04037	2.0
187.07564	2.7
279.06561	2.5
293.04190	2.3
293.07785	3.1
297.07791	20.2
309.07642	8.2
311.09225	4.0
312.10010	15.6
323.05618	4.6
324.06366	12.9
325.07269	2.3
327.12619	3.2
336.06253	3.9
337.07178	57.3
338.07977	7.6
339.08624	10.3
341.06595	15.7
341.13852	2.6
351.08398	2.4
352.09442	16.7
353.06635	55.1
353.10788	2.7
355.08179	1.9
356.09055	29.3
356.15359	2.4
368.08853	10.9
371.11377	64.7
383.11343	100.0
563.55341	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	563.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52294	2.9
55.00505	3.9
59.01376	16.3
71.01384	3.5
87.00854	15.2
89.02396	4.9
96.96002	55.0
123.04492	49.8
146.37041	3.2
149.06030	12.5
150.03304	3.3
165.05574	11.9
167.03471	23.3
168.41852	3.5
184.77316	3.3
193.05067	21.7
195.01172	2.7
195.02977	19.6
237.48105	3.5
255.05054	100.0
276.80429	4.0
360.52573	4.4
419.42850	3.5
474.75818	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	563.1774
Annotation	2,7-Dihydroxy-4-methoxyphenanthrene 2,7-O-diglucoside
Peak:m/z	Relative Intensity
50.57883	2.4
59.01371	18.6
71.01337	4.4
73.02929	2.7
76.97639	2.5
84.13892	2.4
85.02969	3.8
89.02402	4.6
105.61686	2.7
106.81165	2.7
113.02423	4.1
132.50096	3.2
148.05315	5.6
151.03978	4.4
157.63997	2.9
161.02423	5.6
176.04758	4.8
191.03458	3.6
191.07117	5.4
192.04276	3.8
193.05045	5.0
206.05850	6.3
235.06064	3.4
238.04755	4.2
265.05038	5.0
267.03006	12.1
278.05841	3.6
279.06732	11.3
282.05212	3.3
292.07379	3.2
293.08566	3.2
294.09021	4.1
296.07108	6.0
297.07681	32.8
298.95630	2.9
308.06937	5.7
309.04141	3.6
309.07617	19.1
311.09192	16.7
312.10025	27.2
323.05597	5.0
324.06506	38.3
324.09860	5.3
325.07449	3.6
326.11584	3.5
327.12311	5.0
336.06302	11.9
337.07202	54.1
338.07956	11.0
339.08725	40.9
341.06665	11.3
351.08585	6.6
352.09659	19.8
353.06625	72.8
353.10733	3.4
355.08215	29.2
356.09042	61.5
368.08948	49.4
370.10611	5.6
371.11380	70.8
374.12103	2.7
381.38745	2.7
383.07016	3.2
383.11404	78.0
401.12363	100.0
401.17264	4.3
438.57465	3.1
563.17871	93.6
563.26318	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	563.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94046	0.7
59.01368	4.4
71.01369	4.3
73.02935	2.0
83.01346	1.0
85.02943	3.1
86.30098	0.9
87.00857	21.0
95.01364	1.8
99.00873	6.9
101.02422	1.0
104.26226	0.8
111.00872	3.0
112.98779	4.2
112.99492	0.9
115.15283	0.9
123.00851	4.7
129.01920	1.1
134.04689	1.0
142.99887	2.8
145.01399	1.5
153.05562	7.4
173.00874	7.2
174.01675	5.3
174.03085	0.8
176.04790	4.7
177.07625	0.9
178.06363	7.5
179.07140	8.8
181.05022	4.0
191.03429	1.5
191.07144	5.8
193.08701	16.3
194.05775	9.1
205.05026	1.8
205.08597	1.2
206.05823	4.7
209.08224	21.4
218.05763	1.6
221.08223	8.0
233.08218	1.5
234.05325	3.4
235.06033	1.8
237.07625	1.0
247.02353	1.3
249.07747	9.5
250.04686	1.1
261.03940	1.6
262.04825	17.0
264.06519	1.9
265.07227	10.7
275.60519	1.1
276.06329	5.5
277.07178	36.0
291.08679	3.5
318.08496	0.9
337.09280	10.4
383.09833	1.5
406.78818	1.0
486.81583	0.9
563.16199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80303	1.5
57.03471	1.5
59.01374	24.7
61.92701	1.9
71.01369	14.6
73.02925	8.1
75.00864	2.3
83.01391	1.7
85.02931	10.4
87.00841	2.7
89.02428	6.9
95.89077	2.0
99.00828	3.3
101.02438	12.7
113.02402	12.5
123.04482	3.7
161.04509	2.8
222.07617	2.1
263.07623	2.0
297.07785	15.0
297.10553	2.2
311.05573	2.8
324.06470	2.4
325.07062	11.8
353.06726	69.8
365.06445	10.8
383.07733	40.2
395.07693	2.7
443.09912	7.9
473.10873	4.2
563.13788	100.0
563.21582	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	563.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82775	1.2
59.01374	100.0
60.99296	5.1
61.64288	1.1
63.60006	1.2
64.64175	1.2
71.01363	7.5
72.99293	25.8
74.00064	2.1
75.00854	1.8
85.02910	1.3
87.00851	5.4
89.02429	77.9
99.00852	1.6
101.02431	6.0
105.01967	1.3
113.02421	1.5
115.00327	8.2
117.01940	12.3
119.03497	2.1
133.01408	41.8
145.01404	10.6
153.05540	1.7
161.01108	1.6
161.02446	7.5
177.07626	17.6
179.03419	1.8
179.05748	1.7
179.07129	2.6
209.08174	5.4
221.03017	35.7
221.06493	2.9
265.07187	5.2
277.07132	2.0
341.11386	15.2
433.88589	1.4
539.56580	1.4
563.16010	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	562.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74470	0.4
53.92707	0.4
61.98828	100.0
72.81179	0.6
82.48875	0.5
86.76148	0.6
384.42374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79470	0.7
56.90583	0.7
57.40933	0.7
57.57767	0.7
69.08302	0.7
73.20044	0.7
84.29443	0.7
85.69712	0.8
86.03519	0.7
121.88203	0.8
122.96275	0.9
191.03484	1.2
295.06128	0.9
296.06870	3.2
297.07675	11.0
311.05707	3.8
323.05551	3.7
324.06384	1.3
325.07071	9.4
335.05405	1.3
337.07098	1.8
353.02341	1.6
353.06668	49.8
355.08167	2.7
356.05722	1.0
365.06735	8.7
381.06229	0.9
383.07706	40.1
395.07608	3.5
407.08044	1.4
413.08926	3.2
425.08807	1.8
425.68906	0.8
443.09824	2.8
473.11023	1.5
563.14050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.9
61.61994	1.3
68.04047	1.4
71.98885	1.5
85.02929	2.5
89.02429	2.1
101.02425	1.6
106.21641	1.5
113.02402	2.0
273.76389	1.5
283.05835	2.4
296.06833	2.7
297.07831	11.5
311.05499	6.5
323.05594	2.7
325.07141	14.5
353.06619	72.1
365.06613	8.7
383.03223	2.9
383.07703	40.8
395.07574	8.0
413.08850	3.0
414.08136	1.9
425.09003	2.0
443.09793	8.5
473.10577	3.4
476.05865	1.8
532.08868	2.0
532.16583	2.0
563.13983	100.0
563.22168	5.8
566.45502	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	562.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
78.24938	0.5
109.08114	0.5
153.20200	0.5
211.86235	0.5
213.89427	0.6
414.05582	0.5
423.69598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74350	0.4
61.98827	100.0
78.67117	0.5
89.11289	0.4
123.33575	0.4
184.69617	0.5
247.18124	0.4
269.04416	0.4
272.82809	0.4
299.91891	0.4
515.96655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
99.57485	1.2
133.05304	6.5
134.06136	19.5
144.42996	1.5
153.06696	2.7
160.04004	1.7
195.14879	1.6
203.41536	1.3
206.11917	1.5
223.14445	11.1
230.11873	2.1
245.12943	2.9
247.14496	46.7
273.12259	1.5
341.18738	1.5
342.14603	31.6
358.21500	12.1
385.20099	5.8
433.27734	1.5
526.30383	100.0
527.29303	1.5
533.12799	1.3
584.13129	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	561.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83762	3.3
59.99865	3.3
66.37313	3.2
73.24159	4.3
78.95897	4.4
141.91083	3.7
179.41643	3.4
181.52931	3.2
224.06903	6.5
265.21744	5.5
279.23285	100.0
504.31006	70.5
561.32837	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	561.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57507	2.5
81.46442	2.5
83.05039	9.4
83.85220	2.5
85.06572	51.6
95.05004	11.2
98.05221	2.9
113.06065	19.1
134.03709	14.1
152.15012	2.3
166.17392	2.5
166.18953	2.7
178.02696	16.0
193.05049	23.1
331.22879	4.5
463.30862	26.6
470.15140	3.0
502.62146	3.2
561.30420	7.0
561.37988	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	561.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32560	4.5
54.45761	4.5
78.95882	6.1
79.82729	5.3
137.37570	5.8
248.66818	6.2
250.75218	6.4
271.13959	5.3
279.23254	100.0
408.33020	7.3
490.50595	6.5
504.30936	79.2
561.33118	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	561.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13840	4.4
61.84007	4.7
62.53925	3.8
62.62613	3.7
78.99693	4.9
100.38096	5.3
134.03722	50.7
149.06067	24.0
162.73734	5.1
177.52539	5.0
178.02715	43.6
193.05074	100.0
279.36682	4.8
433.27609	4.6
475.76416	4.9
502.07715	4.7
561.30896	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2921
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
57.03447	2.2
59.01381	30.1
71.01370	36.9
73.02936	11.5
83.01386	7.0
85.02937	19.8
89.02428	18.4
92.19373	2.3
95.01371	2.6
99.00880	2.7
101.02438	30.9
101.33936	1.4
113.02452	19.2
125.02453	1.7
159.03015	2.1
161.04562	10.1
246.12035	1.4
254.33836	1.7
398.55707	1.7
561.29254	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	561.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71737	1.1
59.01380	24.7
64.57217	1.5
69.03467	1.8
69.95277	1.3
71.01364	15.8
73.02929	6.2
79.37964	1.6
85.02924	3.3
87.00852	2.7
101.02424	9.8
113.02428	6.2
137.63959	1.7
170.02614	1.5
185.11794	2.1
268.03787	6.1
295.22809	8.4
313.23917	35.3
457.28036	14.4
475.29163	35.7
517.09802	3.2
517.30170	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	561.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66451	1.2
59.01374	25.0
61.48948	1.4
71.01378	24.5
72.99300	24.2
73.02938	10.6
74.10513	1.7
75.00861	17.1
82.87572	1.5
85.02941	33.0
87.00853	7.0
89.02448	16.6
95.01370	9.1
97.02922	6.8
99.00849	8.8
101.02439	14.9
103.00365	20.3
113.02435	82.6
129.01935	1.8
131.03511	15.8
133.01447	2.8
157.01378	2.2
163.02415	1.8
167.03508	2.1
175.02481	9.7
175.56660	1.6
193.03534	52.5
193.05243	2.7
235.04613	47.1
337.07718	29.7
355.08862	37.3
561.21930	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	561.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
60.11052	1.0
84.04523	1.0
87.38258	1.5
99.45899	0.9
108.02149	2.2
112.77888	0.9
113.02525	1.0
117.14729	1.1
121.02917	1.3
122.03748	1.6
123.04514	8.9
128.03500	2.1
133.02855	1.1
140.91141	1.0
149.02457	7.7
150.03218	50.3
151.03992	3.8
160.08142	0.9
164.03496	13.1
164.04800	5.0
165.05550	73.6
177.04320	1.6
178.05074	12.2
180.04210	7.7
189.95215	1.2
192.06667	9.8
195.06596	5.1
197.12970	13.0
198.11398	2.1
215.14008	13.5
306.15823	11.3
321.18118	6.3
347.16034	2.3
365.17230	4.2
523.91827	1.1
561.24530	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	561.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78884	1.3
59.01369	13.4
59.62592	1.2
67.73434	1.5
68.87762	1.7
71.01371	11.3
72.99296	36.8
75.00860	9.3
76.25428	1.7
80.72925	1.2
82.02980	3.3
85.02914	13.0
87.00844	2.7
89.02421	6.7
98.77870	1.6
99.00856	2.3
101.02426	3.5
113.02416	18.0
115.00353	2.3
129.01921	1.6
131.03503	5.5
133.06744	1.9
136.04025	2.1
138.05595	66.0
153.59975	1.8
156.39937	1.4
177.05600	2.6
179.03490	3.6
193.03561	6.5
202.46376	1.6
216.10292	2.4
219.02959	1.6
229.06186	2.5
239.05621	11.4
243.07684	2.8
244.08537	3.1
247.10876	27.5
259.10849	68.8
321.10913	100.0
483.67792	1.8
548.99146	1.5
561.21893	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
63.47107	0.7
64.11620	0.9
67.78044	0.9
81.03437	10.7
83.01392	10.2
83.01846	1.2
87.04518	1.0
89.02421	1.7
94.38683	0.9
96.95996	13.5
97.02938	20.1
99.04505	27.3
101.02417	1.5
109.72556	0.9
115.04002	4.9
125.02419	96.9
127.00377	7.9
143.03487	17.8
157.04987	7.9
159.02956	37.0
187.02458	55.3
201.04076	2.0
219.05084	100.0
249.79922	1.2
252.63992	1.0
341.10782	5.6
438.03607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44332	1.1
50.65110	1.5
59.01379	31.7
67.97704	1.3
71.01369	35.2
73.02943	13.1
73.63730	1.2
79.50438	1.3
83.01373	3.0
85.02950	15.3
89.02451	13.8
92.91135	1.4
95.01366	3.0
96.95986	16.5
101.02424	26.4
107.05019	100.0
113.02454	27.4
131.03470	2.9
143.03452	2.3
152.99637	2.5
159.02948	2.7
161.04532	12.7
167.03481	2.0
195.06635	2.1
201.11276	3.4
209.11833	2.1
311.11343	2.2
321.01517	1.8
431.15643	9.8
473.16656	18.8
517.15662	71.0
561.19867	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	561.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.4
63.59017	2.4
67.92123	3.1
70.99595	12.3
71.01381	11.4
85.02916	4.5
89.02457	3.2
93.05317	2.7
96.96008	4.2
101.02419	4.3
102.98564	20.8
106.68097	2.9
111.00797	3.3
113.02435	4.2
134.03749	11.2
135.04524	4.4
138.03207	13.6
149.06047	17.7
151.11357	3.9
153.04387	5.4
153.05562	100.0
158.66228	2.9
161.04582	4.1
176.04749	12.1
191.07127	55.1
195.10236	5.8
206.08139	3.8
209.02751	3.6
210.03546	3.1
223.10878	3.3
224.05116	3.4
225.05930	60.9
274.19376	2.8
287.51035	2.9
387.11212	42.4
392.62109	2.8
399.15723	22.3
475.13031	3.9
517.13824	34.1
517.21234	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	19.7
64.21560	1.8
70.99584	4.6
71.01379	15.7
73.02932	3.5
85.02953	3.7
89.02438	7.3
96.95972	2.1
99.00906	2.1
101.02445	9.0
102.98591	21.1
112.71741	1.7
113.02454	8.3
138.03203	13.6
153.05560	100.0
161.04529	3.5
171.99994	1.9
176.04779	10.9
191.05466	3.4
191.07135	62.0
215.53508	1.9
216.93559	2.0
224.05107	2.9
225.05896	75.9
236.47037	2.1
302.63953	2.0
355.08493	4.5
387.11218	45.5
494.00479	2.0
517.13745	33.0
519.21259	2.9
561.22150	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.0
61.98826	4.7
71.01008	1.2
71.01364	2.0
71.58916	0.9
81.39772	0.9
81.77364	0.9
88.98859	1.0
89.02449	1.6
93.03436	4.4
96.96012	4.0
100.87088	1.0
119.05028	4.0
121.02944	1.1
126.06478	1.0
137.00612	1.5
145.02971	1.0
149.02408	4.7
153.05498	1.1
157.81281	0.9
174.56334	0.8
175.03979	10.2
189.93439	0.9
201.01936	5.6
209.06087	1.3
224.59668	1.1
238.76521	1.0
251.07121	18.3
253.05081	3.4
269.08246	8.6
270.28683	0.9
295.06107	100.0
407.16901	1.1
517.13489	1.8
561.28760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15166	0.6
53.84491	0.7
57.18343	0.8
57.56524	0.6
59.01127	0.7
59.01380	11.9
61.76527	0.7
61.98817	0.8
64.53696	0.6
71.01366	4.3
73.02929	1.6
85.02922	2.9
89.02431	1.0
93.03484	0.8
99.00834	1.0
101.02418	4.5
113.02401	3.5
119.03471	1.0
121.02888	1.2
123.04491	1.1
128.03535	1.2
145.63431	0.7
149.02408	5.4
150.03214	16.9
151.03938	1.6
151.57274	0.7
161.02357	0.8
164.03493	4.8
164.04758	1.4
165.04237	1.2
165.05548	26.1
178.05029	3.3
180.04297	2.7
180.06689	0.9
181.07016	1.2
182.82993	0.8
192.06639	4.1
195.06670	1.0
197.12912	4.3
215.13976	4.7
248.57611	0.8
267.02911	1.7
268.03772	100.0
269.04553	32.7
276.21201	0.9
295.02472	13.0
306.15796	5.8
311.05695	1.1
313.03436	3.3
321.18079	1.6
337.03302	0.8
365.17261	0.9
473.10956	9.6
475.08282	3.0
501.30359	1.6
502.27991	3.0
517.09906	67.6
517.25885	5.2
561.09625	1.2
561.24347	39.7
584.48108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73050	3.4
59.01365	6.4
63.77443	3.4
66.39456	3.5
73.09092	3.4
77.41159	3.5
84.04561	6.8
89.02413	5.8
91.03970	9.1
98.28646	3.6
102.05590	21.6
125.39352	4.3
127.05168	5.0
128.03522	48.1
153.83727	4.0
184.14023	4.2
192.61957	4.2
339.25381	20.9
360.67285	3.8
379.26190	4.3
403.67694	4.2
406.94388	4.3
431.30170	25.4
560.34711	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	560.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36661	1.9
54.30780	2.0
111.01997	24.8
114.54952	2.4
127.08776	3.3
133.05324	15.3
134.06119	18.1
153.06711	9.1
155.08229	2.6
160.04004	9.0
166.07588	2.5
167.08183	2.7
184.10887	3.6
189.06720	18.4
257.13000	3.2
264.10281	56.0
281.13000	21.0
376.12955	24.3
392.19910	25.6
419.18640	3.6
536.45648	2.3
560.28754	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	560.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77174	0.8
59.01379	7.5
61.98820	2.0
81.47121	1.0
82.06597	1.9
87.05641	2.4
92.19972	2.3
92.78237	0.9
111.01982	27.1
113.07203	1.9
120.04554	1.7
121.02893	6.7
127.08713	1.8
130.08722	2.4
131.03723	1.2
132.04553	1.8
133.05309	11.1
134.06107	23.5
139.77684	1.1
146.06123	2.3
153.06653	8.4
154.07449	4.2
155.08221	1.3
160.04008	5.6
166.07498	4.2
167.08177	5.3
171.05624	2.2
172.03926	1.4
181.13364	3.7
184.09386	1.3
184.10907	6.2
189.06689	16.0
213.14005	1.0
215.08247	1.6
224.13997	2.0
231.11436	1.3
257.12952	5.8
262.08691	1.5
264.10281	52.2
279.11368	1.1
281.12875	19.7
295.17630	1.9
376.13043	21.6
392.19821	26.8
419.18533	10.6
524.28107	1.9
560.28796	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	560.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	8.0
71.05013	2.2
78.63953	1.1
88.04030	100.0
92.98258	1.0
96.95977	1.2
101.28849	1.1
122.93443	1.2
135.04539	1.2
146.08223	43.8
146.09358	2.1
156.14195	1.0
159.86531	1.0
165.05528	1.4
179.03416	1.1
218.10330	99.8
231.64714	1.0
401.40582	1.2
537.05750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01085	2.0
59.01377	55.9
60.47918	1.1
61.98824	2.1
70.49119	1.1
71.01367	18.9
73.02934	11.9
75.94155	1.2
80.75460	1.1
80.79788	1.1
83.01355	2.5
85.02933	5.6
87.00850	2.0
89.02446	16.2
95.01365	1.7
99.00854	7.7
101.02435	26.5
111.04491	14.1
113.02456	11.8
115.07623	23.0
119.03474	7.5
137.13847	1.3
152.10791	2.1
156.10291	1.3
158.11876	10.8
161.04483	2.7
180.06573	1.3
501.27979	1.9
516.24506	100.0
555.54846	1.4
560.29089	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	560.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31329	0.4
58.38260	0.4
59.79181	0.5
61.52296	0.5
61.98825	0.9
67.70227	0.5
77.24996	0.6
78.95899	2.4
79.95713	1.0
96.95995	100.0
96.96883	4.6
114.64823	0.5
119.80151	0.5
129.32979	0.6
140.16901	0.5
150.22171	0.6
162.86858	0.6
193.94406	0.5
447.21664	2.3
462.23917	6.2
466.50031	0.6
560.07129	0.7
560.20966	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	560.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81936	0.2
79.95722	1.8
96.95995	100.0
144.82086	0.3
150.31967	0.3
155.08266	0.5
163.03990	0.3
180.06664	1.9
181.07042	0.6
216.63885	0.4
223.14636	0.5
241.15613	0.4
276.21649	1.2
320.20419	0.5
330.56815	0.3
363.98004	0.4
366.87515	0.3
376.83084	0.3
421.96005	0.4
462.24170	1.4
499.96402	0.4
501.28220	2.4
560.20709	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	560.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11023	0.8
59.67290	0.9
69.13408	1.0
71.01350	1.8
71.05016	1.1
74.96538	0.8
75.35886	0.8
87.00906	0.9
88.04034	35.6
124.01770	0.8
133.02939	4.6
135.04514	22.2
145.73137	1.0
146.08246	14.5
161.02428	100.0
161.04588	4.3
179.03488	48.2
179.05565	6.4
199.12407	1.0
211.89812	0.9
218.10307	40.2
250.71342	1.0
296.92700	0.9
341.08783	88.5
502.35602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20919	1.8
52.90083	2.1
55.00260	1.7
59.01382	5.1
60.70164	1.8
61.98504	3.3
61.98826	100.0
74.34470	2.4
81.42628	2.1
140.60428	2.2
221.79242	2.5
269.92026	3.0
280.23618	4.6
281.24289	3.9
282.25101	2.8
304.75510	2.4
311.93271	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	559.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29946	0.2
52.75089	0.2
59.01377	6.8
59.71243	0.2
60.01704	1.3
61.01796	0.7
61.98827	100.0
73.02964	0.3
78.50545	0.3
80.06689	0.3
80.86108	0.3
83.01398	0.5
98.52961	0.3
127.12099	0.3
147.87529	0.3
279.23279	1.2
280.23660	3.0
281.23965	1.6
282.24408	1.4
440.30087	0.6
457.31052	0.5
458.31097	2.2
499.31915	0.7
500.32431	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	560.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18812	1.3
58.02966	6.9
64.46545	1.4
66.32824	1.3
70.02976	11.0
72.04530	2.6
74.02467	41.9
97.75181	1.5
98.02461	8.8
116.03524	24.0
116.05028	9.4
142.76262	1.4
152.44733	1.4
152.82855	1.5
159.09358	2.5
201.10344	9.3
203.08266	74.1
245.09302	100.0
270.03970	1.9
287.46362	1.7
349.74396	1.4
401.95224	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	559.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81427	1.6
53.32876	2.7
70.23624	2.6
72.00923	3.2
83.02496	3.1
93.03449	5.1
94.45370	2.2
107.36774	2.5
111.42680	2.8
112.52170	2.5
119.05012	18.9
127.08768	9.5
128.07176	3.9
129.10338	2.9
130.08719	4.9
134.06108	17.4
136.07698	2.6
137.07230	11.2
146.06082	5.4
150.25383	2.5
151.08659	2.5
152.07207	2.7
155.08247	28.7
160.50484	2.5
163.04004	31.5
169.09776	3.1
175.08687	2.3
180.06654	100.0
187.35043	2.3
205.13564	3.1
218.14348	2.7
222.16116	2.9
223.14555	26.9
241.15587	35.3
275.21317	46.4
319.20273	56.1
325.22815	2.6
346.77069	2.6
358.99207	2.6
362.83218	2.4
456.28522	2.8
500.27661	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91379	1.6
64.74541	1.8
72.00904	3.2
81.51205	1.9
83.02496	2.7
86.44765	1.9
93.03446	8.3
101.62679	2.0
119.05000	21.8
127.08759	8.6
128.07141	10.1
129.10364	3.3
130.08728	8.7
134.06116	20.7
137.07222	4.8
139.08789	3.6
146.06104	7.7
155.08243	39.7
163.04036	32.6
169.09859	3.2
180.06662	100.0
180.14127	2.0
191.15459	2.3
195.14957	3.7
205.13380	3.8
207.14856	2.3
218.14221	3.1
218.35794	2.3
221.13084	2.2
223.14507	29.8
241.15596	36.0
249.16109	2.7
273.19827	2.6
275.13953	2.3
275.21298	48.8
319.20309	57.1
394.23474	2.8
424.90289	2.3
456.28256	2.7
500.27698	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45583	2.3
59.01365	5.4
61.06720	3.1
79.15190	3.2
82.06609	3.8
83.02485	3.7
93.03434	6.3
97.01515	3.0
119.04970	21.6
127.08750	15.3
128.07152	7.0
130.08702	6.7
131.24268	2.9
134.06119	20.0
137.07164	6.1
146.06102	12.2
153.06703	4.4
155.08286	31.2
163.03987	26.6
169.09831	3.8
180.06638	100.0
195.15083	3.2
205.13449	6.3
218.14255	3.7
222.16080	4.5
223.14481	37.3
234.90570	3.1
241.15605	42.6
247.33615	2.9
257.12689	3.3
275.21295	53.5
319.20242	75.9
325.19223	3.6
349.13019	3.3
354.26248	3.5
394.23239	4.4
405.47687	3.6
456.28577	5.8
500.27676	99.7
514.42212	3.6
542.61310	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	559.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62862	1.8
58.52789	1.9
59.76283	1.9
61.45580	2.1
70.87139	1.8
128.64418	2.6
133.05345	2.3
134.06114	21.6
136.66220	2.1
139.08708	2.9
155.08138	2.6
160.04045	4.1
170.90776	2.2
223.14487	5.1
230.11977	2.1
247.14488	51.1
318.10956	2.7
342.11029	2.4
342.14664	13.2
358.21295	3.2
385.19843	8.8
386.20685	8.5
454.26794	3.2
461.42780	2.7
466.80322	2.9
472.28030	11.3
499.32922	100.0
533.00055	2.4
559.35205	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	559.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25002	1.9
54.31202	1.7
64.59823	1.9
67.28516	1.9
72.00889	3.9
82.06612	2.2
82.67807	1.9
83.02481	2.9
93.03415	10.8
119.05037	19.7
127.08755	8.7
128.07144	8.0
129.10303	2.8
130.08727	2.9
134.06081	21.9
136.07596	2.2
137.07205	11.5
146.06082	7.7
155.08260	30.2
163.03975	37.4
169.09845	7.4
180.06657	100.0
190.05061	2.1
195.15083	3.3
205.13377	4.6
218.14249	2.5
223.14487	36.1
239.04048	2.1
241.15598	32.4
256.22986	1.8
275.21341	47.8
319.20245	57.1
325.18646	2.3
394.23380	4.3
414.20288	3.3
500.27670	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10792	2.3
51.54255	2.1
51.90660	2.2
59.01378	10.2
63.33209	2.6
67.07227	2.5
72.00917	4.6
89.02428	2.9
93.03432	11.2
101.02464	2.6
102.34460	2.7
116.92814	5.0
119.04995	29.1
119.59727	2.9
127.08774	5.1
128.07162	4.2
130.08745	19.2
134.06128	14.8
137.07196	5.1
146.06091	5.8
147.44554	3.0
155.08269	28.4
157.94250	2.7
159.21915	2.7
163.04028	30.7
167.87689	2.6
169.09862	4.6
180.06647	100.0
205.13548	3.9
218.14328	4.3
223.14589	32.3
232.13631	2.7
234.41637	2.9
241.15598	36.9
249.09335	5.4
249.16089	3.8
253.82854	2.7
275.21338	50.0
293.08243	10.6
319.20215	59.1
500.27628	98.6
515.26666	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	559.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49708	13.0
54.45859	11.8
55.57478	11.2
59.47556	11.9
85.78753	11.9
96.61855	15.5
144.09903	12.6
193.65935	14.4
201.18320	15.0
247.10849	52.4
248.11632	75.7
249.12480	30.7
301.17279	12.5
311.22314	100.0
368.38812	13.0
559.33844	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.2
70.24152	1.2
71.01363	3.1
73.02940	23.6
80.96510	5.4
82.04089	20.8
85.02920	3.1
87.00857	5.6
89.02457	1.6
95.06166	2.7
96.95976	2.6
97.02924	7.6
98.03738	1.8
99.04570	1.4
101.02440	3.0
103.55748	1.4
113.02444	3.1
131.20293	1.2
146.06100	16.1
197.94040	1.4
199.19812	1.4
203.00105	1.3
203.75803	1.3
203.87283	1.2
206.99773	1.4
217.13423	26.4
225.00691	5.7
242.12978	75.6
259.15646	5.4
299.17621	4.6
316.20294	100.0
340.21365	6.5
541.32922	35.3
559.21051	15.0
559.34082	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3401
Annotation	Oleoyl danshenxinkun A
Peak:m/z	Relative Intensity
59.01375	12.2
70.24152	1.2
71.01363	3.1
73.02940	23.6
80.96510	5.4
82.04089	20.8
85.02920	3.1
87.00857	5.6
89.02457	1.6
95.06166	2.7
96.95976	2.6
97.02924	7.6
98.03738	1.8
99.04570	1.4
101.02440	3.0
103.55748	1.4
113.02444	3.1
131.20293	1.2
146.06100	16.1
197.94040	1.4
199.19812	1.4
203.00105	1.3
203.75803	1.3
203.87283	1.2
206.99773	1.4
217.13423	26.4
225.00691	5.7
242.12978	75.6
259.15646	5.4
299.17621	4.6
316.20294	100.0
340.21365	6.5
541.32922	35.3
559.21051	15.0
559.34082	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54068	1.9
55.01395	2.0
62.37812	1.8
63.40870	1.9
74.86726	2.1
96.97912	2.1
117.53631	2.1
126.92056	2.2
152.99557	3.9
225.82202	2.1
277.21710	100.0
448.49753	2.7
502.29428	76.5
508.12338	2.7
559.31213	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	559.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92358	1.1
57.03452	1.8
59.01376	95.4
59.20464	1.0
60.75585	1.1
70.51085	1.2
71.00983	1.6
71.01373	32.9
73.02939	11.1
73.03270	1.2
83.01385	3.0
84.21457	1.2
84.26594	1.2
85.02932	16.7
87.00825	1.4
87.04497	42.8
89.02428	29.7
95.01387	1.8
95.04988	2.1
97.06541	1.7
99.00868	1.6
101.02423	26.2
106.78693	1.2
113.02426	31.8
113.06059	2.0
119.03497	9.1
123.06754	1.1
125.02427	2.0
135.04524	1.6
143.03497	1.4
149.09708	8.8
151.11270	5.3
161.04526	5.5
175.07625	1.4
179.05649	5.1
179.31000	1.4
187.13454	2.0
198.62683	1.2
267.06546	5.1
293.04556	41.3
343.87091	1.4
499.29129	100.0
517.30084	14.1
559.31873	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	559.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92358	1.1
57.03452	1.8
59.01376	95.4
59.20464	1.0
60.75585	1.1
70.51085	1.2
71.00983	1.6
71.01373	32.9
73.02939	11.1
73.03270	1.2
83.01385	3.0
84.21457	1.2
84.26594	1.2
85.02932	16.7
87.00825	1.4
87.04497	42.8
89.02428	29.7
95.01387	1.8
95.04988	2.1
97.06541	1.7
99.00868	1.6
101.02423	26.2
106.78693	1.2
113.02426	31.8
113.06059	2.0
119.03497	9.1
123.06754	1.1
125.02427	2.0
135.04524	1.6
143.03497	1.4
149.09708	8.8
151.11270	5.3
161.04526	5.5
175.07625	1.4
179.05649	5.1
179.31000	1.4
187.13454	2.0
198.62683	1.2
267.06546	5.1
293.04556	41.3
343.87091	1.4
499.29129	100.0
517.30084	14.1
559.31873	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	559.2893
Annotation	13beta,29-Dihydroxymilbemycin A3
Peak:m/z	Relative Intensity
59.01373	11.8
66.26994	5.9
70.57762	5.6
71.01397	6.8
77.41887	6.3
77.80914	6.2
80.66571	5.7
87.42143	6.1
92.19411	7.7
128.46758	6.6
137.41800	5.9
247.14510	8.4
257.15497	7.2
275.10004	7.1
431.26480	26.4
499.32254	8.4
559.28644	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	559.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.1
59.01381	20.2
59.77447	2.2
68.63129	1.8
69.03045	1.9
71.01373	22.6
72.99313	3.0
73.02932	4.4
73.23389	1.7
75.00860	23.1
83.01369	2.2
85.02950	37.9
87.00870	11.3
89.02436	7.6
95.01392	2.8
99.00880	12.8
101.02397	4.6
111.00868	10.9
113.02428	28.7
115.00399	2.3
117.01928	3.0
125.16537	2.1
175.07617	2.5
217.08719	2.8
415.16980	1.9
515.23401	3.4
559.27844	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	559.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	1.0
59.27316	1.0
64.25309	1.1
74.07695	1.1
86.01617	1.0
98.66988	1.0
108.02176	9.1
109.02884	1.8
113.02386	1.6
123.00841	4.9
123.04521	13.6
127.05101	1.3
128.03517	5.2
150.03168	2.3
157.99762	1.1
161.04462	1.1
164.03534	5.4
177.04295	20.5
177.05669	2.5
178.02711	13.3
178.05072	6.1
179.03485	1.9
192.06665	80.6
193.05086	8.4
197.12968	18.2
198.11320	4.0
215.14012	18.1
215.25320	1.1
241.11894	1.2
282.15216	1.1
304.14279	1.2
306.15857	13.8
319.16455	2.2
321.18149	6.8
321.63898	1.2
347.16208	2.2
352.16119	1.2
365.17065	5.3
385.20609	1.5
529.21680	1.3
541.22021	2.5
559.22931	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	559.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	55.5
59.01378	41.0
63.33425	2.1
74.66119	2.4
87.00867	3.2
88.82549	2.3
96.95991	36.4
99.04506	97.3
101.02435	14.1
125.02428	11.4
135.06635	9.0
147.06586	5.5
152.01138	2.7
153.26015	3.0
161.04565	4.6
216.55975	2.3
240.56674	2.5
279.10843	100.0
306.13977	2.4
440.19281	3.6
463.26300	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	559.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82491	1.2
57.03447	11.4
59.01378	33.2
60.36345	1.2
68.25711	1.3
71.01369	25.9
73.02934	8.4
77.77855	1.3
85.02937	100.0
87.00860	39.8
87.01353	2.7
89.02429	27.4
96.95988	2.6
101.02419	19.4
104.16946	1.6
111.00127	1.9
111.00867	45.1
113.02427	13.6
119.03478	10.0
125.23677	1.4
129.01898	14.4
131.07152	1.7
139.07658	2.1
149.02345	2.7
151.07590	3.4
152.08411	9.1
153.09192	34.3
161.04570	6.3
168.51927	1.6
179.05602	7.5
186.62204	1.6
186.63799	1.5
193.11948	1.2
195.23578	1.3
205.12315	9.9
219.15779	1.6
223.13382	7.6
327.55707	1.3
385.18649	47.2
408.33902	1.9
429.21414	2.6
460.97128	1.6
484.20990	1.7
515.14099	2.8
515.21313	53.6
559.23975	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	559.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82491	1.2
57.03447	11.4
59.01378	33.2
60.36345	1.2
68.25711	1.3
71.01369	25.9
73.02934	8.4
77.77855	1.3
85.02937	100.0
87.00860	39.8
87.01353	2.7
89.02429	27.4
96.95988	2.6
101.02419	19.4
104.16946	1.6
111.00127	1.9
111.00867	45.1
113.02427	13.6
119.03478	10.0
125.23677	1.4
129.01898	14.4
131.07152	1.7
139.07658	2.1
149.02345	2.7
151.07590	3.4
152.08411	9.1
153.09192	34.3
161.04570	6.3
168.51927	1.6
179.05602	7.5
186.62204	1.6
186.63799	1.5
193.11948	1.2
195.23578	1.3
205.12315	9.9
219.15779	1.6
223.13382	7.6
327.55707	1.3
385.18649	47.2
408.33902	1.9
429.21414	2.6
460.97128	1.6
484.20990	1.7
515.14099	2.8
515.21313	53.6
559.23975	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	559.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.7
59.01375	79.2
59.49251	2.3
65.42935	2.3
71.01369	38.7
72.99289	3.9
73.02925	13.7
73.82813	2.1
75.00844	22.3
83.01376	4.9
85.02930	31.9
87.00849	13.4
89.02422	20.1
95.01411	2.9
99.00871	19.2
101.02419	19.0
111.00876	2.3
113.02421	32.8
115.04007	2.5
119.03492	2.8
125.02419	10.6
135.08160	4.1
161.04507	3.5
191.07143	45.3
206.09474	74.4
221.11873	12.8
237.09370	2.7
429.21048	3.8
499.28787	11.4
515.17596	4.1
515.24774	15.9
559.19910	100.0
582.11719	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	559.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97093	1.3
52.04849	1.5
53.55400	1.7
57.03439	10.8
57.23529	1.5
59.01377	28.0
60.32039	1.4
71.01375	19.1
73.02927	8.2
79.89970	1.9
85.02931	100.0
87.00366	3.2
87.00859	51.3
89.02425	21.7
95.01335	1.8
101.02411	21.5
111.00869	48.6
113.02420	13.4
119.03438	2.1
121.04278	2.0
125.06010	1.9
127.82700	1.7
129.01904	13.1
141.60977	1.7
147.04543	2.5
150.55899	1.8
151.07594	9.6
152.08401	13.7
153.09187	53.9
161.04488	3.7
164.07126	6.6
165.07614	2.5
205.12315	16.0
206.08177	7.1
223.13266	6.9
241.28258	2.1
345.51544	1.9
385.18625	56.4
515.14093	2.3
515.21246	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85605	1.6
56.95094	1.7
57.03428	12.6
59.01377	33.1
63.32291	1.7
71.01364	22.5
73.02940	12.2
83.01374	2.3
83.02818	2.0
85.02935	100.0
87.00861	58.1
89.02428	23.1
96.96037	3.3
99.00873	3.3
101.02415	22.5
102.64621	2.2
111.00874	57.7
113.02431	11.6
117.80734	1.9
119.03479	3.2
125.02512	2.4
125.06123	2.2
129.01965	14.0
138.06860	3.1
139.07651	2.1
151.07558	6.8
152.08456	15.1
153.09207	55.6
161.04549	7.9
169.87277	2.0
176.89531	2.0
189.58290	1.9
205.12300	18.9
223.13339	3.9
272.11526	2.1
367.17651	2.1
383.51617	2.0
385.18674	75.6
401.67874	2.0
497.20560	2.2
501.91989	2.0
515.21393	66.5
559.23846	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	559.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41647	0.2
59.01383	0.4
60.85858	0.3
71.01374	0.4
78.95886	0.6
79.95737	1.7
87.00851	0.5
93.03446	0.4
96.95998	100.0
101.02423	0.5
113.02505	0.3
130.13585	0.3
137.02414	1.0
159.09291	0.3
167.03514	0.3
197.20146	0.2
203.08287	1.4
223.84894	0.2
269.92487	0.2
461.13278	0.5
470.10599	0.3
559.22394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.7
63.50871	0.5
64.26478	0.4
66.43089	0.5
79.95712	0.8
89.02449	0.5
93.03465	0.9
94.57913	0.6
96.95994	100.0
101.02410	0.7
102.18489	0.5
103.87955	0.5
121.05389	0.7
137.02420	1.4
171.45998	0.5
178.05884	0.6
262.22488	0.6
461.13016	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	559.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11326	2.7
56.39877	2.6
82.73914	2.6
87.00858	28.2
96.95992	5.0
108.02186	25.4
109.02946	20.7
111.04530	4.1
152.01160	54.8
153.01917	58.3
165.01997	3.2
175.32678	3.1
187.37511	2.9
315.03705	5.0
315.07230	100.0
345.34323	3.1
429.13321	2.6
479.97321	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	558.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97336	2.2
59.01376	100.0
73.02950	4.0
83.01386	13.9
104.00375	2.6
116.62695	2.6
119.03512	2.9
175.06085	9.4
193.07149	11.8
211.67891	2.3
222.94977	2.4
281.24866	76.3
420.50204	2.7
439.30515	5.9
457.31769	38.4
484.36523	4.8
499.32764	53.2
558.33978	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	558.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	10.6
71.01381	3.3
126.59554	2.7
201.57988	2.0
240.34665	2.1
253.09267	11.1
279.23282	100.0
281.24796	15.6
305.24271	2.2
506.32715	4.3
515.32355	4.2
580.99597	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	558.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11566	1.0
51.05594	1.1
51.53556	1.1
51.55866	1.0
53.07428	0.9
54.55753	1.1
58.02970	12.7
60.79365	1.1
70.02969	10.4
91.05515	8.3
114.64382	1.2
133.22574	1.2
147.04535	23.1
164.07167	93.4
185.28645	1.3
206.08214	100.0
213.71806	1.4
215.95071	1.2
218.47556	1.1
223.59837	1.2
225.63837	1.2
250.07251	5.9
307.13934	1.4
342.99802	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	557.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40136	1.3
60.01711	1.2
61.98830	100.0
63.40932	1.0
68.12893	1.1
103.19840	1.1
107.99837	1.1
116.92864	4.2
127.38155	1.1
132.99722	1.3
147.49309	1.3
194.33984	1.2
247.21074	1.4
255.23248	4.6
256.23581	8.1
257.23907	4.5
258.24057	1.3
299.41492	1.3
408.57394	1.4
455.22421	1.4
480.31030	1.4
482.32193	1.4
483.31842	5.6
557.32208	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	557.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93191	1.0
57.61581	1.0
59.59062	0.9
60.67879	1.0
78.95898	19.3
85.05106	1.1
86.96436	1.1
87.00832	1.1
96.96925	6.1
103.97739	1.0
145.33473	1.1
152.99573	53.9
158.92815	1.1
159.63373	1.3
162.86430	1.1
191.01407	1.0
223.00104	1.6
223.22859	1.2
241.01216	35.0
241.21729	100.0
242.23340	1.2
251.00191	1.5
277.21747	1.6
278.22034	7.2
315.04834	7.5
357.17847	1.2
475.26508	2.7
483.56464	1.3
557.27307	78.6
579.13916	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	557.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58960	0.8
54.29377	0.9
54.96550	0.8
55.88290	0.9
57.03422	3.7
59.01376	17.3
59.42527	0.8
61.06519	0.8
62.08400	0.8
68.55679	1.0
71.01373	23.0
72.99281	1.6
73.02935	4.9
75.00859	19.6
83.01366	1.5
85.02937	30.4
87.00861	9.0
89.02416	4.9
93.10369	1.0
95.01369	2.3
99.00867	7.6
101.02438	9.5
108.19388	1.1
113.02433	28.9
115.00343	2.2
117.01899	1.6
121.13151	1.1
143.70720	1.0
188.82883	1.2
209.52052	1.2
233.86282	1.0
403.47867	1.2
557.26001	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	557.2005
Annotation	Roritoxin B
Peak:m/z	Relative Intensity
57.03440	1.1
57.23063	0.6
59.01363	1.2
59.74327	0.7
71.81080	0.6
72.81544	0.6
78.95893	25.7
82.43102	0.6
89.05001	0.7
96.96932	7.2
106.80162	0.7
109.50828	0.7
109.70942	0.6
116.92878	2.7
117.27189	0.7
124.43929	0.7
137.09721	1.7
152.99576	62.4
163.11295	3.1
165.12820	14.0
171.00653	2.9
181.12334	7.6
191.10806	2.9
209.11830	46.0
213.14911	1.3
223.00166	10.1
226.12096	6.9
241.01192	23.7
241.14432	15.6
250.46849	0.7
315.05008	5.3
336.30634	0.7
375.02576	0.7
403.32587	0.7
505.28250	0.7
557.20074	100.0
576.06512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1796
Annotation	Biscyclolobin
Peak:m/z	Relative Intensity
55.58969	15.8
62.33567	17.5
67.17665	18.2
71.01363	20.0
73.99751	17.1
83.53200	16.6
91.14664	18.8
93.43020	19.1
105.46915	18.0
108.57742	18.0
127.04637	17.8
147.31021	18.9
185.63086	18.1
199.62102	18.9
200.53058	17.4
521.19116	81.3
557.18225	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	557.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66712	1.4
54.76421	1.5
59.01373	22.5
63.52945	1.6
66.21691	1.5
66.88564	1.7
71.01374	19.2
84.04530	15.8
84.45697	1.5
85.02942	2.1
86.57108	1.6
88.04028	25.1
96.95969	7.2
99.00910	1.7
101.02464	6.9
102.05592	3.5
115.00366	17.5
118.62241	1.6
121.02962	4.2
125.07195	3.4
126.05586	8.2
132.03021	10.3
135.04539	10.0
179.07092	1.9
221.10211	2.7
248.09283	10.3
249.12422	10.5
249.26573	1.7
262.10870	8.7
263.11359	6.1
264.11169	11.3
265.11984	10.5
275.14240	2.2
279.13483	36.7
280.11890	12.0
351.15555	2.1
395.15518	2.0
442.17175	3.9
549.66711	2.1
557.20105	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	557.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.6
60.83335	1.0
71.01373	24.8
73.02925	9.7
83.01374	1.5
85.02940	7.3
87.00862	7.3
89.02425	25.3
96.95994	4.5
99.00843	1.4
101.02436	28.8
113.02432	18.0
119.03510	8.7
124.47336	1.1
125.02442	1.5
129.01915	1.3
129.05547	4.8
131.03481	15.3
140.98895	1.0
143.03532	2.5
159.03008	1.6
161.04546	23.8
169.99835	1.0
179.05519	3.4
194.08621	1.0
208.71062	1.3
221.06628	16.8
273.97388	1.0
513.18237	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	557.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28792	0.4
59.01389	0.6
68.24313	0.4
84.93857	1.1
87.95627	0.5
93.00184	0.4
96.96004	2.8
98.95570	2.4
99.00853	1.8
99.92562	7.1
100.90393	0.5
100.92742	0.9
100.93355	14.7
103.00389	0.5
115.92048	11.4
116.92842	100.0
117.93697	0.5
142.94406	1.0
158.93904	0.9
182.93796	0.5
183.94708	0.6
184.91849	0.5
184.95412	0.6
196.95332	0.6
209.15604	0.8
257.13800	0.5
293.08743	0.7
299.50549	0.5
412.56403	0.5
435.11087	0.6
453.12299	1.0
471.13159	2.1
513.14264	4.1
557.13336	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.4
57.37437	1.4
59.01381	97.2
60.35772	1.5
67.81797	1.5
76.57954	1.5
83.01379	15.7
91.03990	2.9
101.02466	4.2
113.66538	1.8
154.32802	1.9
157.05042	7.5
167.20821	1.6
175.06114	26.7
193.07143	3.7
279.23288	100.0
281.24847	2.9
298.66690	2.2
386.22357	2.0
409.68829	2.1
437.29156	18.6
455.30194	50.8
482.34717	2.4
497.31259	48.2
506.32581	2.2
561.99615	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	557.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39251	0.4
58.26009	0.4
59.01386	0.6
73.03438	0.4
74.72846	0.4
79.95737	2.0
87.00888	3.4
92.19986	0.7
96.95993	100.0
131.17917	0.5
228.24673	0.7
243.05107	2.5
255.05061	0.8
275.74576	0.5
384.68399	0.6
387.62881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
71.73479	12.2
73.49249	12.5
108.99708	14.0
134.06099	60.5
154.80267	16.4
155.08237	17.5
166.07602	16.6
223.14558	20.8
247.14604	100.0
251.86191	14.4
257.27142	14.3
342.14636	18.0
438.16873	16.7
454.27011	18.4
497.27667	93.4
499.32944	96.1
556.34583	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19051	1.4
53.95786	1.5
55.01873	2.6
59.01379	100.0
73.02920	7.6
73.89909	1.5
83.01376	14.6
85.80577	1.7
91.03966	3.4
92.85821	1.7
101.02412	3.3
123.05661	2.1
175.06117	7.4
193.07144	13.5
250.72809	2.1
279.23276	81.6
437.29108	9.3
455.30133	39.0
482.34729	3.6
497.31256	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01303	1.2
54.09874	1.1
54.66096	1.5
55.21507	1.3
57.11660	1.5
59.01370	3.3
59.99694	1.3
61.98828	100.0
76.08768	1.3
80.96507	10.9
86.48969	1.5
87.00870	1.4
95.90686	1.4
98.78079	1.3
101.02421	2.4
212.60132	1.3
219.63840	1.3
225.00768	1.9
248.15813	1.4
253.09277	8.6
258.32874	1.3
268.64316	1.3
277.21695	71.6
493.27582	2.1
513.30878	1.8
556.28796	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	556.2401
Annotation	Dmg-mino
Peak:m/z	Relative Intensity
53.66608	0.4
54.63201	0.5
55.51626	0.5
58.25592	0.5
59.01378	7.5
61.98821	2.1
64.50133	0.5
65.18930	0.5
71.01363	8.8
73.02930	2.8
85.02932	3.0
86.36628	0.6
88.78905	0.5
89.02429	6.0
92.19296	0.9
101.02429	9.6
102.05601	44.4
113.02422	5.1
119.03455	2.2
128.03526	48.5
146.04582	34.3
146.05453	0.5
150.81343	0.6
161.04593	0.6
173.41872	0.6
199.98763	0.6
235.16611	0.8
400.99460	0.6
427.19629	3.0
430.01877	0.5
446.53915	0.8
498.33527	0.7
538.22937	2.8
556.23993	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	556.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70697	0.9
58.68794	0.8
61.98829	100.0
66.63822	0.9
67.92645	1.1
80.96507	6.6
84.37365	0.9
94.98035	2.3
97.07270	1.0
97.31303	1.0
100.12526	1.1
112.68919	1.0
123.81484	0.9
142.94868	1.2
143.70851	0.9
156.30267	1.1
164.98602	4.2
165.08977	1.0
165.98845	1.1
169.72591	1.0
225.00676	4.6
277.21637	4.0
343.71896	1.1
402.51999	1.1
453.85791	1.2
493.27997	2.0
556.28766	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45822	1.1
58.30023	0.9
78.53529	1.2
101.62330	1.2
135.04529	24.3
161.02425	100.0
161.04579	4.5
170.11852	12.3
179.03477	43.1
179.05557	6.0
210.35890	1.3
214.10933	8.5
240.15639	1.2
313.66321	1.4
341.08789	86.3
356.93372	1.4
532.70642	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	555.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.4
68.80746	0.6
71.01370	5.9
73.02937	0.9
78.98582	4.2
79.95728	3.0
80.96508	44.0
85.02944	1.4
87.00840	1.0
92.19357	1.0
94.98083	13.4
97.02916	1.3
98.36375	0.6
99.04456	0.8
101.02422	3.4
106.98057	2.3
122.97560	1.5
125.02407	4.2
125.69221	0.7
134.97556	4.1
136.99152	1.2
148.99135	7.2
152.98596	9.8
164.98615	15.6
168.00810	0.7
206.99684	3.0
225.00768	23.5
255.23233	3.5
272.40317	0.7
277.21667	1.2
299.04327	5.9
452.99014	0.6
555.28461	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	555.2843
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
51.08998	0.6
71.01369	4.2
73.02974	0.6
78.98567	3.5
79.95716	2.6
80.96508	39.9
81.03428	0.7
85.02931	1.0
87.00845	1.3
93.87670	0.5
94.98071	12.5
97.02904	1.1
101.02454	2.5
106.98058	2.8
122.97566	3.7
125.02417	4.4
127.03991	0.7
134.97559	3.2
148.99133	6.5
152.98595	8.6
164.98624	16.1
182.99683	2.2
206.99643	4.0
225.00739	28.8
243.01782	2.6
255.23280	3.4
299.04391	3.9
555.28442	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	555.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83712	0.8
59.01378	79.6
59.69223	0.9
71.01373	21.8
72.99294	1.2
73.02930	12.5
75.00882	1.0
78.68127	0.9
83.01366	2.5
85.02500	1.1
85.02939	9.6
87.00873	1.2
89.02437	20.5
93.83158	1.1
95.01378	1.1
101.02428	23.3
113.02444	14.8
116.92825	2.4
119.03501	5.2
131.03499	1.2
161.04642	1.7
232.15015	1.0
351.21671	1.3
397.41208	1.1
404.54932	1.0
469.24176	2.3
495.26453	1.6
511.25497	100.0
555.28418	13.8
570.57043	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	555.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82996	0.6
56.41611	0.6
76.52957	0.7
106.04182	0.9
107.05013	16.6
134.03728	4.0
135.04520	100.0
136.04774	1.1
150.27057	0.7
165.05553	30.0
183.15372	0.7
183.50539	0.6
193.47835	0.8
214.92622	0.8
230.50880	0.8
285.11432	0.8
292.12045	0.8
299.09360	1.2
325.00659	0.8
325.10806	1.0
329.10339	7.9
341.10309	9.1
344.12598	8.9
356.12689	1.3
359.15002	13.1
362.60443	0.8
371.14957	11.4
384.48810	0.8
507.20496	0.9
555.22607	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	555.2238
Annotation	pyrochlorophyllide
Peak:m/z	Relative Intensity
59.01387	14.2
81.84744	3.9
93.77757	3.2
102.32710	3.6
107.05029	7.0
134.03712	17.9
135.04510	100.0
153.94638	3.7
157.91270	3.4
165.05580	19.3
269.51343	3.9
289.07468	4.1
290.71429	4.2
327.12378	6.5
328.13174	16.5
329.10190	6.4
341.10175	5.5
359.15204	5.0
393.77917	4.4
405.49847	4.2
431.14664	4.6
507.20334	32.5
555.22467	24.3
562.08368	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52890	0.9
59.01380	22.9
65.70731	1.0
67.90166	1.0
71.01379	16.0
73.02944	2.7
83.01350	1.5
85.02937	2.0
87.00862	2.7
89.02429	17.5
95.01334	1.0
96.96013	1.9
99.08096	1.4
101.02429	19.0
113.02432	9.2
119.03489	7.6
127.07658	8.9
131.03477	4.5
145.08727	14.5
161.04532	4.8
169.08727	1.4
186.26370	1.2
191.39063	1.3
221.06630	2.4
289.12872	8.6
307.14017	36.3
316.74011	1.5
323.46155	1.1
349.15353	3.9
358.83511	1.2
407.55164	1.2
469.19241	4.3
478.37106	1.3
511.20306	100.0
555.23633	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	555.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.43781	1.2
71.01375	15.6
73.02940	6.4
83.01359	2.2
85.02950	6.0
87.00867	28.2
89.02438	18.7
99.81076	1.4
100.57905	1.2
101.02429	31.5
113.02447	9.4
116.65023	1.5
119.03503	3.2
122.16656	1.8
123.00837	1.5
125.02421	1.5
125.28760	1.3
127.07626	20.2
131.03448	1.7
138.03218	3.1
140.87772	1.3
143.03458	2.0
145.08690	14.9
148.75325	1.2
150.03244	1.8
153.05537	3.2
161.04526	2.7
162.03214	11.0
165.05544	8.0
166.99832	2.7
177.05534	8.3
182.02214	30.3
187.09729	21.1
195.06671	2.7
197.04565	40.0
228.43224	1.4
323.09845	48.2
383.11932	22.6
425.74139	1.4
511.20325	19.6
551.77771	1.3
555.16791	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	555.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49065	0.9
59.01379	14.9
69.69003	1.2
71.01379	6.6
78.07636	1.1
82.08739	1.3
85.02941	1.4
87.00847	1.4
89.02429	7.9
96.95992	1.9
101.02431	5.7
108.02161	17.1
113.02432	9.3
123.04502	14.5
129.98198	1.3
152.01141	59.5
153.05562	4.6
167.03477	100.0
177.01952	8.3
187.80566	1.1
190.06259	2.4
192.04317	17.0
193.04938	1.7
199.52742	1.2
202.99857	1.2
207.06636	13.7
225.34492	1.4
262.27875	1.2
269.14786	1.2
335.11334	2.3
357.09689	6.3
363.10977	2.3
393.11575	1.6
555.16821	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	555.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66428	1.3
59.01389	2.1
70.51648	1.2
71.01376	1.9
84.86610	1.4
89.02433	1.9
121.02943	2.5
123.00841	3.2
138.03218	8.2
150.03201	28.7
153.05539	21.6
162.03197	8.1
165.04230	3.2
165.05559	71.2
166.99825	7.6
177.05495	2.5
177.83192	1.4
180.04259	5.4
182.02205	81.9
195.06624	13.3
196.03746	2.4
197.04555	100.0
239.05669	1.9
246.48247	1.5
304.17319	1.5
393.11969	11.1
479.30472	1.7
555.17218	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61371	1.2
57.80315	1.5
61.67268	1.5
77.38338	1.4
121.02928	6.5
123.00828	1.8
138.03192	10.2
149.02446	2.8
150.03207	32.2
151.03920	3.0
153.05542	16.3
164.04820	3.0
165.05553	100.0
166.99838	1.8
180.04262	9.7
182.02205	59.1
195.06631	17.6
196.03732	2.8
197.04546	79.6
239.05606	6.9
286.08475	5.5
301.10782	5.5
393.11948	45.7
555.17188	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65902	0.6
66.53529	0.7
89.99846	0.7
90.85315	0.8
108.02171	12.3
113.02459	0.8
115.78459	0.8
123.04514	16.8
125.70069	0.9
127.08909	0.8
141.59982	0.9
151.04005	0.8
152.01140	40.1
165.01917	10.5
166.02745	3.9
167.03485	100.0
174.34869	0.8
179.03500	4.5
180.04265	31.7
181.05069	2.0
194.02354	1.1
194.05841	3.6
195.06625	58.8
209.04544	6.4
210.05299	11.5
225.07693	16.1
239.03398	1.2
259.63580	0.8
271.06229	7.9
286.08481	9.8
301.10843	4.2
306.36996	1.0
330.07477	6.5
345.09796	12.1
377.00967	1.0
393.11945	65.2
555.17242	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	555.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81916	0.4
59.01382	0.8
63.14524	0.4
63.19541	0.4
65.50481	0.5
67.22131	0.5
68.80344	0.5
120.99634	100.0
197.58560	0.5
233.77547	0.5
317.26413	0.5
352.31854	0.5
370.91714	0.6
555.27710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33365	0.5
52.07724	0.6
59.01373	2.8
81.67777	0.6
84.93848	0.9
86.77557	0.5
91.82799	0.5
92.19967	0.6
96.95970	1.4
98.95603	0.8
99.92583	7.9
100.93359	12.0
115.92049	13.5
116.92841	100.0
141.93597	2.3
142.23969	0.6
142.94414	3.0
150.03180	2.2
165.05557	4.1
183.94667	1.0
184.91824	1.2
184.95467	0.7
195.06506	1.0
259.96072	0.9
296.63757	0.6
451.10577	2.4
469.11597	2.9
511.12875	6.4
532.49756	0.6
555.11743	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	554.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74362	0.4
59.01376	10.2
59.46942	0.5
70.44903	0.5
71.52119	0.5
74.47379	0.5
77.26083	0.4
78.95887	2.5
88.21812	0.5
91.69730	0.5
152.99614	0.7
224.06886	0.7
255.23285	100.0
420.63287	0.6
480.30957	39.9
492.32028	0.6
554.34985	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	554.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.0
59.01375	100.0
60.32064	2.1
61.98832	10.5
62.39846	2.0
67.39281	2.3
83.01377	20.2
91.04029	4.5
101.02407	5.3
136.42642	2.4
143.05331	2.3
157.05045	9.6
158.15172	2.2
175.06053	29.1
193.07019	4.8
277.21719	94.0
353.70264	2.7
433.21884	2.8
435.27527	16.1
453.28561	58.8
460.01627	2.3
480.33038	3.2
495.29620	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43765	1.2
56.74099	1.3
58.77678	1.3
59.01374	6.1
61.50666	1.6
62.70665	1.3
63.28842	1.4
94.52699	1.4
101.02412	2.0
111.01969	1.4
113.07165	1.6
115.08735	1.3
121.02917	10.5
133.05305	8.9
134.06113	32.7
140.07091	1.4
153.06654	6.8
160.04097	3.0
181.09816	3.4
206.11940	1.5
223.14456	11.8
230.11908	2.6
245.12958	3.0
247.14508	57.7
273.12384	2.5
342.14563	44.1
358.21399	16.6
385.20093	8.1
532.24786	9.3
554.33563	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	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.1
78.95895	6.0
82.70746	0.6
96.68258	0.5
152.99541	2.6
168.04269	2.7
224.06902	6.2
242.08011	0.6
255.23283	100.0
480.30945	50.2
480.37967	1.1
554.34363	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	554.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70645	6.2
59.87502	6.7
61.98823	100.0
72.62618	6.5
109.36192	7.9
110.61713	6.6
112.00775	7.3
154.18817	7.5
246.91200	8.6
255.23444	10.3
257.12311	7.9
365.18427	8.4
419.21136	7.7
519.79761	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	554.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35848	1.6
56.48873	1.8
56.57466	1.7
92.19941	3.6
109.69707	2.6
121.02889	4.7
133.05319	4.9
134.06110	33.0
153.06639	4.3
160.03984	3.3
181.09833	4.0
202.12404	2.6
216.39351	2.1
223.14572	16.3
245.12939	5.4
247.14525	52.4
273.12521	2.7
277.27911	2.3
291.07965	2.2
342.14554	45.8
358.21375	12.0
385.20090	9.5
424.52368	2.5
454.04886	2.8
554.33521	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	554.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55651	0.5
59.01381	0.7
78.95892	9.9
96.00559	0.6
117.97159	0.6
118.36958	0.5
152.99583	3.6
162.74420	0.6
163.87636	0.6
165.48320	0.6
168.04274	2.7
224.06955	7.3
242.08041	1.3
272.24017	0.6
279.23297	100.0
335.78198	0.7
346.17844	0.6
381.71780	0.7
400.11429	0.7
426.62375	0.7
504.30991	61.8
554.36169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22866	1.1
54.41469	1.1
59.01355	1.3
70.24121	1.3
95.28793	1.5
99.90554	1.4
112.43311	1.3
116.03522	2.8
116.15674	1.8
116.46818	1.1
119.04982	2.1
124.13038	1.2
133.05318	11.3
134.05089	1.7
134.06111	48.2
139.08762	2.4
140.07214	2.6
153.06622	3.2
157.18358	1.3
160.03990	7.2
166.07451	1.8
167.08293	4.8
181.09949	1.5
184.10814	1.5
188.26616	1.6
195.07657	1.7
195.15012	2.7
223.14500	27.9
230.11829	3.0
245.12950	5.2
247.14488	54.3
273.12399	2.8
342.14572	28.1
358.21371	33.1
385.20078	2.5
386.20810	1.5
455.26398	5.2
519.94952	1.5
554.29803	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	554.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19448	0.5
59.50562	0.4
78.14359	0.5
78.95904	1.3
89.47940	0.5
94.32600	0.6
100.50836	0.5
115.45579	0.6
116.89581	0.6
159.39047	0.7
168.04248	0.8
199.93871	0.6
202.34464	0.6
242.07994	2.2
244.58513	0.6
279.23291	100.0
308.82455	0.6
336.16730	0.6
455.40460	0.6
504.30963	46.6
554.30017	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	554.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	15.4
71.01376	18.4
73.02935	5.4
76.66354	2.3
82.49770	2.4
83.30809	2.3
84.96615	2.8
85.02937	17.3
86.02458	5.6
101.02419	22.9
113.02416	5.9
120.99619	4.2
144.10307	2.5
231.76811	2.5
246.49030	2.3
322.95969	2.8
357.90222	2.6
435.16833	2.8
554.29785	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	554.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33178	0.6
67.42034	0.6
71.02488	2.9
72.00888	1.2
74.02441	1.1
85.04036	0.7
91.05510	2.4
92.19929	0.8
93.03456	2.5
106.04207	0.9
111.01974	0.8
119.05028	5.3
128.05035	0.6
134.06116	5.4
136.07634	1.0
141.06717	0.6
146.06097	9.6
147.04494	1.1
151.05109	0.9
152.05841	0.9
153.06677	0.8
158.06061	3.3
158.34305	0.7
162.05550	0.9
163.04002	9.8
163.08745	2.2
164.07208	0.7
168.43694	0.6
173.09660	0.7
180.06657	29.6
186.05585	3.5
189.04948	0.9
189.06621	9.3
189.30417	0.6
191.08296	4.7
200.10814	5.5
203.08350	2.2
218.06979	3.2
221.09309	1.3
223.08707	3.4
225.10376	4.1
226.08722	3.8
238.11000	1.2
243.11356	12.0
261.12430	1.0
264.10287	2.4
266.11884	4.9
283.14526	1.1
301.16821	0.7
327.13541	5.6
329.16553	7.8
373.15527	3.6
554.22931	100.0
567.09558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11161	0.5
53.02499	0.6
59.74734	0.5
61.14935	0.5
71.02500	4.1
72.00906	0.8
74.01675	0.6
74.02477	0.8
91.05534	1.3
93.03436	2.6
106.04216	0.7
111.02013	1.0
116.04968	0.6
119.04989	4.9
134.06104	4.7
135.14285	0.6
136.07692	1.2
137.31418	0.6
146.06122	10.1
147.04457	0.9
148.88240	0.7
153.06662	1.4
158.06097	3.1
160.07674	0.8
162.05638	1.1
163.03995	8.3
170.14565	0.6
170.46645	0.7
180.06654	31.3
182.09711	1.3
182.62680	0.6
183.07205	0.5
185.07109	0.6
186.05627	4.5
189.06702	9.8
191.08267	5.6
200.10838	5.7
203.08383	0.8
218.06911	3.1
221.09329	1.0
223.08707	2.5
225.10304	2.4
226.08740	2.6
230.26634	0.7
238.11151	1.3
243.11389	9.7
264.10120	0.9
266.11835	6.3
309.12454	1.1
327.13397	5.8
329.16473	5.3
373.15540	4.0
554.22974	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	554.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60012	0.8
62.75828	1.0
65.18182	0.9
66.58675	1.1
74.02456	4.1
78.95865	1.4
80.72840	0.8
82.91132	0.9
86.02477	1.0
93.06041	0.9
96.95385	1.9
96.95996	46.7
96.96944	1.4
97.95930	1.4
99.05643	1.1
128.03529	14.2
133.02922	0.9
139.02278	1.6
143.04597	22.0
166.09833	0.8
167.01707	97.4
179.04587	3.7
192.07828	1.1
198.69099	0.9
208.81633	1.0
210.08855	2.2
227.07011	1.4
236.35103	1.0
254.07829	3.8
272.08890	33.4
281.09644	100.0
286.03793	0.9
451.11273	1.0
456.21805	1.1
554.19440	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	554.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.2
58.04090	11.8
59.01361	2.3
61.08961	1.5
64.00951	1.6
67.58402	1.4
71.01363	22.0
82.04103	4.3
84.05655	2.3
92.19955	2.2
97.02921	33.5
97.55388	1.7
99.04478	3.5
100.04028	2.2
110.72890	1.7
125.06060	45.0
147.09258	3.3
149.06026	4.3
151.15656	1.9
164.11922	10.5
166.08730	13.2
169.05058	4.0
208.10910	48.7
219.82402	1.8
252.09868	100.0
279.10950	4.0
343.29462	2.0
421.51767	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28171	0.9
73.47205	1.0
79.37360	1.1
84.81965	1.1
120.01237	100.0
139.51151	1.1
164.04829	1.2
179.03487	1.2
179.07127	11.6
179.40100	1.1
180.07957	5.3
189.55637	1.2
209.08211	1.3
209.94632	1.2
224.06943	12.6
237.45818	1.0
345.08975	1.4
403.13849	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	554.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31218	1.0
73.73605	1.0
88.54144	1.1
92.19334	2.6
114.47974	1.1
120.01234	100.0
135.04515	4.8
136.04808	1.3
151.03944	2.0
152.04739	1.2
164.04761	1.2
165.05460	1.4
179.07137	12.6
180.07918	11.2
181.08237	1.9
194.05888	2.2
195.06575	4.5
209.08366	1.9
224.06912	13.1
225.07561	1.2
226.08240	1.3
271.07718	1.1
280.64240	1.1
345.08817	1.8
362.16818	5.4
363.29675	1.5
387.26746	1.1
391.17673	4.9
392.18054	17.0
403.13882	5.9
547.49884	1.2
554.19562	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	553.2872
Annotation	Sedumoside A5
Peak:m/z	Relative Intensity
57.53003	2.1
59.01374	14.7
59.78477	2.1
62.26034	2.4
71.01376	12.6
85.02953	3.3
85.72823	2.6
101.02444	9.1
113.02419	3.3
119.43077	2.5
123.11769	2.3
143.05099	2.4
229.18108	30.3
231.60657	2.5
373.22482	3.9
391.23419	50.1
449.24619	3.0
462.54865	2.5
553.21649	4.1
553.28668	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	553.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.6
71.01362	3.7
73.02934	2.7
100.07645	3.7
101.02422	3.5
101.06071	6.9
107.04981	6.0
112.07630	2.1
113.02460	2.4
129.10352	3.2
130.08717	54.3
134.03691	3.2
135.04524	26.6
165.05524	3.1
195.15085	1.9
196.13451	1.7
199.18193	7.2
225.16254	1.9
243.17120	37.5
339.08694	2.2
356.25623	22.7
427.33527	1.6
451.43353	1.7
457.05661	1.7
469.34152	6.1
493.23114	15.4
505.18698	9.3
553.20410	1.9
553.39752	100.0
578.19806	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	553.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55113	2.7
59.01376	82.7
71.01374	51.5
73.02940	19.6
75.00864	11.3
83.01360	11.5
85.02927	39.3
87.00848	4.3
87.04500	5.7
89.02435	16.1
95.01330	3.8
97.02930	3.2
99.00903	10.4
101.02436	57.4
113.02424	48.6
119.03483	5.1
125.02449	3.7
131.03467	14.0
131.07169	2.8
139.41292	3.0
159.02904	2.9
161.04585	12.0
161.18805	3.2
220.93776	3.1
261.18622	5.5
289.16586	4.0
445.75452	3.1
451.21820	16.9
462.98581	3.0
493.22980	100.0
509.23099	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03453	1.7
59.01085	2.4
59.01375	65.7
60.06723	1.1
67.59492	1.2
70.29828	1.2
71.01371	29.0
72.05155	1.3
73.02936	13.5
75.00858	5.3
77.27630	1.1
83.01383	5.3
85.02937	16.3
87.00838	2.1
89.02438	10.3
93.24699	1.2
95.01350	2.1
97.02917	1.3
99.00871	5.3
101.02419	25.4
108.90714	1.3
111.00865	2.0
113.02434	17.9
134.07338	2.9
161.04596	2.8
177.69020	1.2
260.69519	1.3
261.10175	1.1
261.18607	15.4
405.22833	1.8
423.23788	8.2
493.23074	14.2
509.23691	100.0
553.25818	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	553.2293
Annotation	TMC 2B
Peak:m/z	Relative Intensity
55.01854	2.6
59.01370	22.5
59.38739	1.2
66.49353	1.2
70.72327	1.4
71.01374	20.1
73.02935	12.9
76.62967	1.3
83.01377	7.8
85.02935	11.7
89.02417	7.6
99.00880	1.9
101.02427	38.1
113.02432	12.0
120.99620	5.7
136.58275	1.6
143.03290	1.5
166.06328	16.6
167.07086	6.0
181.08690	61.9
194.05811	2.3
209.08238	3.2
210.19101	1.3
343.10333	2.5
343.14014	33.9
411.20370	1.3
553.22955	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	553.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	12.1
63.36273	1.7
65.83627	1.6
71.01351	3.9
71.16895	1.7
71.35727	1.9
73.02926	2.2
89.02411	3.6
96.96007	2.0
101.02423	10.5
121.62057	1.9
151.03934	2.9
152.04726	10.5
161.06099	2.0
163.03951	2.9
164.04787	4.0
172.10495	1.9
175.07549	2.9
179.07173	2.3
180.07925	23.7
182.05905	2.9
190.06250	2.1
191.07089	2.6
192.07977	7.6
193.04869	2.2
194.05829	8.4
194.09380	3.2
195.06628	4.0
212.06935	9.7
226.08504	3.8
343.11884	3.7
346.14209	3.8
358.14224	16.7
361.16632	19.6
373.16599	8.7
391.17651	100.0
442.19635	2.0
447.12930	1.8
494.86011	2.2
509.22852	2.1
553.24359	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	553.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	47.2
71.01380	35.2
73.02933	10.7
74.28083	1.7
78.80546	2.1
83.01389	4.5
85.02940	14.6
89.02444	10.8
92.19989	2.2
95.01360	2.1
99.00841	2.7
101.02439	32.2
113.02454	17.7
116.87218	1.8
119.03507	1.9
156.78226	2.1
159.03004	2.7
161.04550	7.9
185.58830	2.2
193.46603	1.8
196.92493	2.4
266.69879	1.9
347.16934	7.7
467.21353	18.0
509.22385	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	553.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	20.2
60.68504	1.8
71.01389	17.5
73.02939	3.6
75.00873	21.9
84.63528	2.2
85.02930	32.9
87.00865	10.2
89.02441	2.4
99.00865	8.8
101.02376	7.1
113.02441	39.9
178.02388	2.2
185.69080	2.1
215.13741	2.5
280.07339	5.0
283.09732	4.2
411.01324	2.2
509.22327	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	553.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51204	2.8
59.01382	24.7
71.01363	20.4
74.90862	3.4
75.00871	16.9
85.02928	18.3
85.33939	3.6
92.19418	4.8
99.00852	5.1
101.02428	12.5
113.02435	27.5
130.73590	3.2
138.34560	3.0
156.87134	3.1
164.93546	3.0
194.05821	6.3
243.12297	3.1
256.37524	3.5
268.07397	4.5
280.07227	12.3
295.09644	3.7
386.31619	3.4
445.40640	3.8
509.22427	100.0
535.19836	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	553.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18361	4.0
59.01381	75.7
71.01391	51.2
73.02939	19.8
78.49516	4.8
83.01395	9.0
85.02930	24.0
87.00877	5.3
89.02427	21.7
99.00831	6.4
101.02431	49.4
112.34060	5.0
113.02429	37.1
119.03456	6.2
120.52202	4.7
123.04523	8.5
143.10796	6.3
152.01085	6.6
153.05550	7.6
161.04509	19.7
161.80092	4.7
167.03497	81.4
178.02689	5.2
182.02097	5.6
192.84125	4.8
193.05165	8.9
195.06609	5.4
197.04555	28.1
208.03772	26.1
221.06793	4.7
223.06113	19.5
254.21912	4.8
354.92365	5.4
391.10309	96.2
467.21237	26.6
509.22482	100.0
553.22571	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	553.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.6
59.01380	32.5
62.77568	1.5
67.08044	1.5
71.01379	21.4
72.99287	2.3
73.02930	7.5
75.00861	23.9
75.80303	1.4
83.01367	1.9
85.02937	32.3
86.45821	1.6
87.00870	11.9
89.02429	2.1
99.00858	10.7
101.02404	12.3
112.01675	2.5
113.02428	33.5
115.00352	2.3
125.02354	1.6
130.99854	2.1
263.90375	1.7
281.88071	1.8
299.77692	1.8
461.26428	1.7
509.22397	100.0
509.29819	3.2
531.24219	3.1
553.27429	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	553.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24744	2.7
59.01379	79.2
71.01373	64.2
73.02937	18.6
83.01379	18.4
85.02941	26.4
89.02439	49.8
95.01382	5.0
95.05029	3.2
99.00883	6.5
101.02435	68.3
108.45832	3.3
113.02457	55.0
119.03496	23.2
120.67982	3.6
124.29204	3.1
125.02454	14.2
127.02826	3.9
127.05116	5.1
131.03528	3.5
145.06175	30.1
157.68706	3.1
161.04529	21.1
165.05568	3.6
167.03491	20.1
168.03854	6.0
176.29176	4.2
179.05579	12.6
197.04559	7.5
209.04567	21.9
210.04922	18.9
211.05083	18.9
221.06705	13.6
226.56381	3.4
239.05582	27.6
240.05911	13.4
241.06087	8.1
242.63495	3.7
263.07724	4.6
269.06876	3.4
270.07013	4.5
271.07129	5.2
347.16815	3.9
391.36163	3.3
449.20618	5.7
463.11533	14.3
467.21515	36.1
509.22391	100.0
532.69611	4.7
553.14520	27.7
553.23700	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12304	3.4
59.01386	17.8
63.04904	3.9
79.86240	4.3
82.95702	3.6
84.38837	3.6
84.70897	3.4
85.02890	5.1
92.20010	8.5
94.35497	3.9
107.04992	17.4
129.72791	3.4
134.03755	5.6
135.04520	100.0
135.19078	4.6
140.25577	4.4
150.03223	15.8
165.05498	39.1
178.02570	4.7
178.68927	3.8
193.04932	4.6
214.86295	4.0
232.00169	4.2
310.16025	3.8
327.08694	14.4
339.08813	20.0
344.58487	3.8
357.13300	16.7
369.13498	20.9
385.28903	4.1
504.27496	4.4
505.18423	25.7
509.28168	5.0
531.24585	7.0
553.20862	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	553.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.47124	2.8
71.01369	49.2
73.02930	19.5
74.59857	2.8
75.00880	3.9
77.98106	3.3
83.01383	4.6
85.02936	24.6
88.45164	3.1
89.02426	51.7
95.01346	6.4
99.00887	4.0
101.02429	39.7
113.02457	52.7
119.03467	18.7
143.03484	2.8
161.04514	4.4
161.22791	3.2
302.66037	3.4
449.20255	96.6
467.21231	43.0
509.23029	33.9
522.14655	3.7
555.49512	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	553.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	9.4
67.19839	1.3
71.01374	2.6
75.00881	1.6
85.02954	3.0
89.02431	1.4
100.07674	3.6
101.02398	3.1
101.06053	5.7
107.05001	12.0
107.41250	1.7
112.07657	2.7
113.02389	2.3
123.04480	2.1
129.10353	2.8
130.08710	48.9
132.16982	1.6
134.03717	6.1
135.04514	51.4
147.51816	1.6
165.05551	11.8
199.18204	2.5
204.77821	1.5
225.16011	1.7
243.17123	33.4
307.94247	1.5
315.05844	1.6
327.08801	2.5
339.08716	9.1
339.12405	1.8
342.11081	1.9
354.10919	2.2
356.25586	20.1
357.13403	1.9
369.13379	8.4
449.27499	1.9
469.34103	2.9
493.23117	2.3
505.18726	15.3
509.22525	7.6
509.29172	2.9
553.20020	2.4
553.26367	4.1
553.39740	100.0
565.20862	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	553.1933
Annotation	(-)-Massoniresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01377	9.3
65.83781	1.1
73.07442	1.3
74.23816	1.1
82.62247	1.3
89.02430	2.4
94.45632	1.1
101.02419	2.2
113.02435	2.1
122.03739	1.4
123.04498	2.0
123.08174	1.1
129.30162	1.1
135.04465	1.6
136.05293	5.2
136.67810	1.4
149.02428	1.7
150.03200	34.9
151.03990	24.5
151.07619	1.9
161.40988	1.2
164.04803	2.4
165.05548	100.0
180.04265	7.8
181.05019	4.5
195.06619	63.4
230.47319	1.5
311.09293	8.6
343.11850	15.6
391.13983	49.7
499.91437	1.5
553.19128	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08223	0.6
59.01355	4.6
61.76889	0.7
63.57145	0.6
73.24282	0.7
96.83446	0.7
97.53412	0.8
112.52126	0.7
119.05076	1.1
122.03663	0.9
123.04481	4.6
134.03690	1.1
135.04456	4.5
135.13329	0.8
136.05264	6.3
149.02351	1.2
149.05975	1.0
150.03201	32.0
151.02835	1.2
151.03984	23.5
164.04727	3.6
165.05545	100.0
180.04239	5.1
181.04997	4.4
195.06618	52.5
311.09317	6.6
343.11932	12.2
391.13992	48.5
395.54236	0.8
429.31540	0.9
528.49982	0.9
553.19049	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
73.23324	0.3
79.95733	1.5
82.96670	0.3
83.78436	0.3
93.24250	0.3
96.95996	100.0
113.02470	0.3
128.85683	0.3
251.14101	0.4
276.13544	0.4
293.16370	0.4
393.33286	0.4
455.21558	0.5
553.18677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03802	1.5
58.44062	1.5
59.01373	22.8
71.01371	11.9
72.33707	1.3
85.02944	2.3
89.02420	18.8
92.19977	1.6
99.60581	1.4
101.02405	6.9
101.66222	1.5
113.02438	1.9
119.03490	7.5
120.01219	2.8
121.02974	2.5
134.03728	2.4
136.05280	11.6
137.02441	6.8
137.06039	3.5
146.03635	2.3
149.02440	5.8
149.06071	11.0
150.03223	24.6
150.06847	7.3
162.03087	2.0
164.04762	9.9
165.05560	2.9
179.05586	13.5
181.01405	2.3
194.05847	8.0
252.63210	1.8
269.08133	1.8
283.09680	8.9
284.10495	8.5
311.09348	16.6
343.11871	100.0
355.11832	2.4
373.12860	7.3
374.12354	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	553.1932
Annotation	Saletpangponoside C
Peak:m/z	Relative Intensity
59.01380	20.0
61.30564	2.3
63.38952	2.5
67.54457	2.4
71.01376	5.6
76.45319	2.6
82.68163	3.2
85.02953	2.8
89.02423	3.4
101.02436	4.2
107.05029	5.7
113.02431	3.3
115.85882	3.3
119.03490	4.2
120.01239	17.3
134.03705	11.3
135.04520	100.0
137.02499	2.7
151.03969	4.4
165.05569	28.8
166.06340	12.0
178.55887	3.0
216.48550	3.5
223.06096	3.2
225.07729	48.1
229.10812	4.8
269.08240	15.7
343.11896	60.3
386.43640	2.9
391.14066	57.3
432.13770	3.4
493.22839	3.5
509.16458	7.0
553.19385	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	553.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.6
66.83418	1.6
68.45637	1.4
71.01378	27.3
73.02929	14.4
83.01365	2.0
83.22696	1.9
85.02956	11.5
87.00865	3.5
89.02421	23.8
96.96001	5.8
99.00855	3.0
101.02435	28.7
104.31359	1.8
113.02435	21.1
115.57230	1.7
119.03470	6.5
119.47749	1.6
120.97152	1.9
125.02439	2.1
131.03481	14.2
159.02954	3.9
161.04518	20.5
179.05557	2.0
221.06708	13.3
240.59731	2.0
290.37912	1.7
329.13943	2.2
331.11929	3.2
372.04935	1.7
433.97742	1.9
505.07410	1.9
509.18762	100.0
553.20746	6.6
557.96338	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	553.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26934	0.8
59.01377	29.3
62.27981	0.9
64.74243	1.0
67.70932	1.3
71.01385	1.2
84.21255	1.1
85.02940	4.5
87.00861	1.2
87.77681	1.0
88.45993	0.9
96.96952	2.4
113.02387	1.6
152.01122	1.2
153.01909	44.7
154.02695	5.8
155.03481	2.4
166.02748	1.4
167.03485	18.1
168.04262	100.0
169.05067	13.1
196.03633	1.3
200.75060	1.2
204.62297	1.1
210.74977	1.2
262.54767	1.1
300.86035	1.1
331.10361	90.0
459.36337	1.7
493.15399	2.6
553.17529	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	553.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
59.01377	34.0
64.74545	0.9
71.01371	30.7
73.02939	12.6
77.58696	0.8
81.07095	1.0
83.01363	3.9
85.02940	10.5
87.00861	6.4
89.02427	26.3
92.20010	1.5
95.01369	3.7
96.96005	2.1
99.00853	3.9
101.02430	34.1
113.02421	23.0
119.03458	8.7
125.02484	1.2
125.06025	1.1
131.03490	13.3
143.03435	1.5
143.07118	1.2
147.55617	0.9
159.03041	1.4
161.04556	17.6
179.05594	3.7
187.09734	1.0
221.06633	11.9
261.13474	1.1
493.19174	2.1
509.18741	100.0
553.21344	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	553.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50990	1.7
54.41888	1.9
59.01382	100.0
65.33182	2.6
71.01381	19.0
71.72026	2.1
73.02944	3.9
81.07082	3.3
87.00857	30.7
89.02445	12.2
101.02435	36.6
101.22139	2.3
113.02455	10.0
119.03545	3.2
125.06060	30.1
131.03528	2.4
143.03557	3.6
143.07111	18.6
161.04533	4.6
185.08167	15.9
241.38602	2.5
259.09384	2.8
275.82208	3.2
305.08655	2.6
307.32733	2.5
323.09821	37.1
428.19867	2.6
437.39294	2.5
449.16626	17.7
509.18103	22.1
553.25055	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	553.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96423	0.7
57.34961	0.7
59.01373	2.0
68.99799	6.8
71.01371	1.4
89.02473	1.1
108.02180	6.3
109.02969	0.9
121.02962	0.9
123.00881	7.4
123.04501	23.7
125.99549	1.6
135.04501	2.2
136.01633	2.2
137.02425	3.7
137.99562	1.2
138.03203	5.5
142.40729	1.0
150.03204	5.9
153.05559	8.1
155.03598	1.6
161.02426	1.5
163.03984	2.0
165.05507	3.7
176.29066	1.2
177.05522	3.7
178.02692	25.1
179.03586	1.7
181.01410	1.7
181.05083	1.1
182.00639	1.3
182.02202	32.2
193.05049	42.3
195.06601	2.2
196.03773	8.6
197.04547	100.0
223.06052	3.7
224.03284	1.4
239.05638	9.5
266.22189	1.0
271.50964	0.9
284.80881	1.0
302.07870	2.2
309.15167	1.2
317.10443	7.1
340.48541	1.1
347.11246	2.0
391.10309	94.2
433.11252	5.8
450.35352	1.0
553.15497	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	553.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97330	0.6
59.01385	0.9
60.74196	0.6
60.87061	0.6
61.79981	0.5
71.01375	0.7
87.00867	0.8
89.02406	0.7
96.95998	100.0
96.96981	2.7
101.02432	0.8
113.02469	0.9
121.04583	0.7
178.02728	0.7
193.05016	0.8
217.30334	0.8
243.74089	0.7
373.36115	0.7
455.17627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57754	2.6
59.01378	8.2
65.43685	3.1
65.87121	2.8
68.78533	3.0
69.23141	3.0
78.95904	4.1
81.51560	3.5
90.81251	3.1
112.18249	3.8
115.41497	3.6
162.24445	3.5
224.06923	6.8
234.32214	4.3
253.21739	100.0
478.29486	56.3
551.49615	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	553.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63865	0.5
55.13387	0.5
59.01374	2.6
67.10275	0.6
69.18456	0.5
71.01379	3.5
73.02956	0.9
83.01372	0.9
85.02949	1.1
86.54657	0.6
87.00879	0.6
89.02424	0.9
101.02416	3.5
113.02409	1.3
120.99638	100.0
139.63774	0.5
147.77972	0.6
164.04756	0.7
166.06348	2.9
175.04047	0.9
181.08719	11.0
182.82065	0.5
184.09447	0.6
192.99612	1.1
208.01933	1.3
208.03778	2.3
211.04388	0.8
223.04323	1.3
241.05408	4.3
329.07059	1.1
343.14117	5.0
553.22821	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	552.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13321	2.0
50.29538	2.1
59.01372	12.4
70.72334	2.2
78.95879	8.4
116.53004	2.1
149.60880	2.2
153.03613	2.2
157.40732	2.6
214.98077	2.9
224.06929	2.4
253.21715	100.0
277.21692	58.7
311.83008	3.0
324.45126	2.6
478.29443	39.1
502.29437	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72279	1.2
59.01383	5.9
60.25387	1.2
66.68897	1.5
72.01361	1.4
92.19351	3.6
120.20831	1.6
123.08138	27.0
125.02409	3.4
125.09700	19.9
126.02751	1.9
151.07629	23.4
167.03482	8.4
168.03732	2.3
169.08713	15.4
195.06589	2.4
197.04671	2.7
198.04971	1.5
200.62918	1.7
209.04559	8.1
210.04837	6.1
213.07689	100.0
239.05635	6.9
240.05945	6.7
269.06628	1.7
372.08087	1.9
402.09277	2.7
462.11417	5.9
552.14325	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	552.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96706	0.4
58.61392	0.4
59.01366	1.2
64.11466	0.5
65.54898	0.4
72.00840	0.5
73.31406	0.6
78.95888	3.6
101.95030	0.5
102.06293	0.5
102.43600	0.5
118.02216	0.5
152.99603	0.9
155.67690	0.5
168.04390	1.2
185.19971	0.5
215.28374	0.5
224.06946	0.8
233.22758	0.9
242.07896	2.4
243.87778	0.7
275.20004	0.7
277.21722	100.0
502.29440	58.3
552.28400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.9
77.74656	4.7
78.95887	12.7
83.01836	5.1
87.82247	5.2
98.80377	5.1
128.98480	5.2
135.02710	5.1
224.06918	6.3
253.21779	85.3
277.21710	100.0
478.29388	40.7
502.29327	66.8
552.20239	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	552.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04098	10.2
58.48764	1.6
61.56440	1.8
66.98737	1.6
71.01373	22.1
82.04090	2.7
84.05610	2.0
97.02946	25.7
100.04001	2.0
110.49154	1.6
117.57741	1.8
125.06074	48.4
140.79092	1.8
147.09288	4.4
149.06021	6.8
164.11935	8.3
166.05054	3.2
166.08751	14.5
169.05046	4.4
190.09886	1.6
206.22015	1.7
208.10918	41.8
252.09892	100.0
364.41675	1.9
422.15475	1.9
512.14716	1.8
523.23669	1.8
529.72461	1.9
552.15521	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.204
Annotation	Carbazomarine A
Peak:m/z	Relative Intensity
74.12936	4.3
78.95881	45.5
80.55209	4.4
115.92020	6.0
141.96024	8.9
152.99542	47.1
163.30257	4.5
178.88388	6.0
179.89240	5.2
180.89917	6.1
181.90741	8.8
182.65433	4.8
196.89467	19.8
255.23262	30.6
310.03772	4.6
418.16476	6.3
552.20398	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	552.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.6
76.84637	3.5
81.45537	4.1
91.96522	4.0
98.01452	4.4
98.40205	4.8
100.11669	4.4
110.36378	3.9
110.92458	3.7
117.15744	4.3
152.01147	6.1
156.08195	8.3
156.75037	3.9
157.08699	5.3
158.96744	4.0
167.03476	16.5
172.07675	23.4
183.53654	4.2
195.27977	5.5
200.07164	29.3
202.05095	63.4
218.08255	5.5
262.07193	100.0
304.76913	4.3
469.80771	4.4
552.23596	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	551.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17316	0.9
56.84594	0.8
58.35417	0.9
59.01376	5.3
59.38079	0.8
71.01361	1.0
89.02427	1.5
101.02419	2.1
113.02465	1.7
235.08148	1.0
253.09285	5.5
255.23303	100.0
491.32199	5.3
518.77112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32037	1.3
58.94456	1.3
59.01377	9.3
60.10412	1.4
83.02613	1.4
104.82485	1.6
144.70882	1.8
253.09314	7.4
255.23288	100.0
255.25987	3.4
491.32019	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	552.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20163	1.2
57.36291	1.2
84.76226	1.4
92.20059	1.7
99.68633	1.3
105.24663	1.4
113.24690	1.3
120.01225	100.0
178.06317	2.2
190.89162	1.3
206.37549	1.6
222.05327	9.1
223.06160	1.7
232.56506	1.7
244.60051	1.7
252.49225	1.5
341.10150	2.5
342.10672	2.0
357.13345	5.0
387.14676	2.8
490.05170	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	551.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	5.7
64.80839	3.4
75.19042	3.4
75.26911	3.5
165.93985	4.1
183.76665	3.8
218.46077	4.6
253.09225	7.5
255.23291	100.0
454.98886	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	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91118	0.6
58.44027	0.7
59.01372	5.6
66.32330	0.7
71.01380	1.9
74.01749	0.8
89.02424	4.7
92.19343	1.3
94.08862	0.8
97.55636	0.7
101.02428	7.2
111.18636	0.7
113.02448	1.8
120.17675	0.7
120.91209	0.7
132.77762	0.8
161.04547	1.4
177.56638	0.9
179.05466	0.9
218.16425	0.8
235.08318	0.9
253.09322	13.1
255.23289	100.0
309.49905	0.8
398.89810	0.8
491.32004	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	551.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06102	8.2
54.18320	9.6
63.33086	10.4
67.36380	8.3
79.37628	9.8
102.63704	9.8
107.11074	10.8
124.67451	11.3
139.03297	9.3
141.63126	11.1
141.82478	12.1
192.57875	10.1
196.74001	10.1
341.49869	10.6
448.78470	9.6
551.29810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99460	19.5
60.05435	20.0
60.76760	19.9
89.01855	27.1
104.47339	28.1
154.00354	24.6
172.12805	27.2
194.77638	23.8
198.96809	27.1
255.23296	58.4
551.30048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28650	0.3
54.50924	0.3
59.01376	2.3
61.98807	0.5
62.12766	0.3
63.02089	0.3
71.15035	0.3
75.00871	0.4
85.02954	0.8
113.02445	0.4
113.94061	0.3
116.05049	0.6
118.06585	0.6
121.02934	100.0
123.90514	0.3
129.10315	7.7
135.04521	0.4
139.08781	1.3
143.11877	0.6
155.08249	2.7
157.09799	6.2
183.45335	0.3
187.05128	2.0
200.05951	0.8
213.14021	0.5
237.37563	0.4
245.16504	2.7
256.14505	3.5
257.12915	4.3
274.15585	2.5
301.14282	2.0
328.68604	0.4
340.24072	0.8
383.24524	0.6
389.03848	0.4
401.20642	0.6
401.25613	13.1
401.30783	0.4
429.25119	4.9
507.20767	2.4
507.27643	0.5
523.29199	0.9
551.28870	3.5
561.08618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41617	1.1
59.01379	80.9
69.07668	1.1
71.01376	15.7
72.99274	1.2
73.02929	7.2
75.00867	11.7
83.01385	1.3
85.02943	18.4
87.00858	2.7
89.02401	2.2
95.01405	1.9
98.86921	1.4
99.00863	2.7
101.02428	14.3
105.94444	1.3
111.32770	1.5
113.02416	17.7
161.04523	1.3
214.03693	1.4
239.78531	1.4
243.19421	1.7
341.41599	1.2
357.69693	1.3
465.27084	2.6
507.20779	42.0
507.28055	100.0
551.30756	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	551.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82184	1.0
59.01381	29.1
70.85391	1.1
71.01367	12.0
73.02937	6.7
82.93720	1.1
83.01398	2.3
85.02935	17.1
89.02436	4.5
92.19913	2.5
99.00842	1.7
101.02411	15.4
113.02434	7.1
175.84499	1.5
181.82397	1.3
285.17831	1.8
285.20743	31.8
303.21680	2.0
419.26602	2.3
426.55823	1.2
429.24585	2.1
447.26013	59.6
465.26999	23.5
507.21552	4.3
507.28085	100.0
551.24835	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	551.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50072	1.0
55.01875	1.7
57.03453	1.5
59.01379	84.6
60.60707	1.1
69.10754	1.4
71.01370	21.4
72.99297	1.3
73.02934	10.7
75.00852	11.6
76.64696	1.2
83.01376	2.8
85.02941	19.3
87.00849	5.6
87.72855	1.4
89.02439	9.9
95.01353	1.4
99.00858	5.6
101.02428	16.6
102.27290	1.4
111.00841	1.5
111.95183	1.3
113.02421	20.6
114.88380	1.3
115.81192	1.3
132.04480	1.3
143.03452	1.4
156.55869	1.4
159.02950	1.4
195.91849	1.3
251.00256	1.3
251.25334	1.3
275.10437	1.3
285.20703	1.5
303.21609	1.5
437.10660	1.4
447.25629	2.1
465.27124	15.8
507.20740	51.4
507.28049	100.0
551.24249	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	551.235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30834	0.8
57.03445	11.1
59.01374	21.6
71.01370	19.5
73.02947	6.0
74.74502	1.0
77.16829	0.9
83.01411	1.7
85.02931	7.5
87.00852	4.4
89.02425	21.1
96.96033	1.5
98.95523	1.6
101.02430	28.9
113.02435	15.9
119.03444	7.6
123.04517	1.1
125.02429	1.1
131.03508	13.9
134.03734	18.2
137.02390	1.3
145.54088	0.9
147.11807	1.8
149.06049	8.3
150.03255	5.0
151.03973	8.5
159.02960	2.2
161.04539	18.8
165.05527	13.4
168.78828	1.0
176.04709	1.3
178.02710	13.9
179.05650	1.9
191.07167	1.4
192.57111	1.0
193.05054	23.2
195.06560	1.1
213.96388	1.0
221.06660	11.1
255.85808	1.2
282.08975	2.4
286.06995	1.2
317.10394	1.1
341.10477	3.7
386.18689	1.2
389.12384	20.7
492.34430	1.2
551.23828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61628	1.6
59.01379	37.1
62.31194	2.1
71.01376	15.4
80.76340	1.6
84.05029	1.8
85.02994	2.1
88.64376	2.1
89.02424	21.3
101.02447	9.7
101.87357	2.0
113.02422	8.5
119.03507	4.3
120.28820	1.9
160.01607	2.2
179.05634	7.7
255.06679	2.5
285.11093	3.2
311.09311	3.9
313.10721	2.7
324.10031	2.8
325.10736	10.0
326.07813	7.1
326.11392	3.6
335.24374	1.8
340.13168	2.6
341.10291	100.0
356.12543	22.6
371.14984	55.3
465.27078	2.8
507.27930	4.2
522.62695	2.0
544.63483	2.3
551.30127	11.0
579.27826	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	551.2137
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
54.31514	2.4
54.56425	2.2
59.01377	57.7
64.71014	2.3
71.01374	44.4
73.02958	3.0
73.11296	2.7
80.11967	2.1
85.02937	12.5
86.06570	2.6
89.02436	45.2
93.03439	56.0
97.15298	2.7
100.09312	2.9
101.02440	27.3
113.02431	14.0
116.93067	2.4
119.03462	17.5
133.22850	2.5
137.01433	5.1
137.02435	100.0
164.04771	5.3
167.03452	3.4
177.12799	2.6
179.05592	10.9
179.07106	79.8
182.02141	3.5
341.10303	3.4
359.15097	3.3
389.15964	26.3
491.15509	3.5
503.15527	5.8
521.20270	20.0
533.20490	25.9
551.21704	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54435	1.0
59.01373	9.0
71.01378	1.9
85.02954	1.4
89.02430	1.9
93.03432	4.8
101.02445	1.2
115.44090	1.1
119.03403	1.4
137.02420	17.1
148.05315	2.2
160.05275	7.8
161.06071	15.0
162.03197	2.2
162.06898	1.5
163.04002	5.7
172.05284	9.8
174.03232	4.7
175.07637	14.0
178.06355	8.4
181.45337	1.1
187.07625	21.1
187.09686	6.1
189.05533	1.3
190.06371	6.9
191.07086	4.2
192.04305	1.7
193.04991	1.9
205.08736	5.2
208.07388	5.0
210.05251	1.3
296.06781	2.2
311.09219	18.9
314.92502	1.1
326.11560	27.5
329.13895	7.1
338.11261	1.6
341.10269	2.2
341.13889	12.5
353.13879	5.2
356.12613	1.6
359.14926	8.9
371.14920	5.7
389.16064	100.0
551.31042	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	551.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01079	1.7
59.01378	31.0
71.01377	15.8
73.02949	1.0
85.02948	3.4
89.02422	25.3
89.02962	0.9
95.01411	1.0
101.02431	10.0
113.02428	5.5
119.03468	9.7
160.01651	5.9
161.04530	1.8
179.05617	9.7
200.95988	1.0
219.46315	0.9
257.11850	1.1
285.11383	12.2
298.08453	3.4
310.08420	1.8
311.09235	6.0
313.10855	5.6
323.09332	3.6
324.10016	3.6
325.10934	12.2
326.07919	5.8
326.11615	6.8
341.10303	100.0
356.12704	18.2
368.74527	1.1
371.14978	63.0
371.19818	2.0
447.94809	1.0
460.16385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2139
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
50.97300	1.4
53.81942	1.5
55.57122	1.5
59.01375	8.2
71.01368	9.6
73.02972	1.6
78.95890	2.0
88.26217	1.7
89.02435	6.3
96.96966	4.4
101.02426	4.0
102.71905	1.8
102.74641	1.9
105.04297	1.6
113.02411	2.8
146.03627	2.1
148.05312	3.3
149.02376	1.7
151.04021	2.3
152.04732	2.2
159.04478	3.0
160.05296	28.5
161.04738	2.3
161.06067	10.4
164.04681	3.3
166.06416	3.6
172.05286	17.0
174.03166	2.5
174.06790	3.6
175.07610	48.2
177.05505	3.7
178.06378	22.9
187.07655	32.5
190.06361	9.1
191.07031	2.4
192.07912	24.6
193.08658	4.1
205.08684	7.2
305.46091	2.3
323.09332	2.4
341.14020	3.5
353.13928	2.4
359.15036	100.0
359.19534	4.0
371.14972	9.7
389.16064	81.4
512.31317	1.9
551.14722	2.0
551.22211	8.1
551.28363	5.8
560.25104	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24977	2.1
59.01376	100.0
71.01389	3.1
74.99055	2.8
75.08633	2.5
78.25085	2.4
92.19302	2.8
93.03445	15.2
118.98055	5.9
137.02441	30.8
167.03479	6.1
212.12924	3.0
284.10562	34.4
296.10535	15.6
299.12891	82.8
311.12915	20.4
329.13757	4.9
491.15817	3.8
495.91467	2.7
551.22900	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	551.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03442	2.1
59.01383	51.9
71.01373	27.9
72.99284	1.8
73.02935	8.0
75.00863	21.6
82.75565	1.5
83.01372	5.6
84.49958	1.4
85.02941	31.2
87.00869	7.7
89.02430	9.4
95.01397	2.0
99.00867	8.1
101.02421	21.5
113.02423	32.9
115.00358	2.2
116.09717	1.6
133.98885	1.8
170.76802	1.4
172.92491	1.5
201.28029	1.6
211.09010	1.4
285.20648	6.2
296.45590	1.5
424.76108	2.0
447.25925	13.4
465.27008	14.8
507.20764	100.0
507.28079	51.5
551.24506	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	551.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.3
62.51281	0.9
69.46930	0.9
71.01368	17.5
72.57681	1.2
72.99303	2.4
73.02931	4.5
75.00854	21.8
85.02936	26.0
87.00858	8.2
89.02421	2.2
95.01377	2.2
99.00839	9.1
101.02421	7.3
102.99199	1.0
108.59818	1.2
113.02434	25.1
117.01926	1.5
158.18054	1.1
161.04605	1.7
177.31168	1.1
183.13840	1.4
231.13271	1.1
481.41364	1.2
507.20877	100.0
507.27594	4.5
551.23621	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	551.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87518	1.2
57.03435	1.7
58.68903	1.6
59.01379	26.7
64.43001	1.5
71.01369	17.7
73.02919	1.5
75.00864	24.0
85.02936	27.8
85.85241	1.6
87.00859	3.4
89.02422	2.7
92.19456	1.9
95.01389	2.3
99.00861	9.8
101.02413	6.5
113.02428	28.4
115.00332	1.9
120.27280	1.5
128.36002	1.6
161.04486	1.7
164.46022	1.6
235.14111	1.8
333.18555	1.7
507.13132	3.3
507.20825	100.0
507.27231	3.4
551.23859	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	551.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75018	2.3
55.15641	2.7
55.70474	2.2
57.36474	2.3
68.34211	2.4
70.04722	2.6
87.77634	3.2
103.63515	2.9
107.04984	23.1
112.12138	2.8
135.04518	100.0
150.03160	11.8
165.05556	22.2
175.03923	4.9
190.06339	5.8
222.05072	3.2
281.82404	2.8
312.55655	3.6
321.07663	21.0
325.07028	14.9
337.07190	16.3
340.09439	5.4
355.12021	14.8
367.11942	38.1
456.80487	3.0
551.19128	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73412	1.3
61.59611	1.4
72.37395	1.5
75.17249	1.9
96.53134	1.5
100.30539	1.4
107.05016	17.9
129.78090	1.8
134.03697	2.6
135.03490	3.7
135.04517	100.0
146.61801	1.6
165.05554	17.7
175.03973	10.1
190.06363	17.7
203.19035	1.6
222.05286	6.7
260.44745	1.7
295.09839	3.2
307.06128	3.1
310.32941	1.7
321.07803	17.4
322.08545	2.9
323.09167	9.2
324.06244	1.9
324.09973	2.0
325.07095	13.6
337.07239	16.7
339.08740	8.3
340.09460	7.4
355.11990	11.5
367.11957	25.2
394.95251	1.7
485.16052	7.3
503.17215	18.4
521.17847	3.0
551.19196	36.1
558.57251	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	551.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.6
57.91233	0.7
59.01372	5.4
60.65940	0.6
62.59513	0.5
71.01376	1.6
85.02932	21.1
87.00852	9.4
89.02420	3.1
99.00893	1.2
101.02421	1.3
111.00860	1.3
121.02945	3.6
127.06029	0.7
129.01918	20.1
159.02977	6.8
163.83107	0.8
165.01891	4.0
165.91405	0.6
209.06656	100.0
339.30627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48893	0.8
59.01364	5.8
63.42322	0.8
67.08689	0.9
72.05276	0.9
73.02924	1.2
85.02952	1.2
90.38947	1.1
93.03438	70.6
113.02380	1.1
135.04504	9.8
137.02428	100.0
151.04028	1.3
152.01132	1.2
161.04366	1.2
166.99767	1.0
167.03464	1.3
174.62819	1.0
182.02235	12.8
187.09775	1.3
195.06596	2.1
197.04523	13.0
206.04550	1.0
291.34323	1.2
389.12326	6.2
457.01602	1.1
521.64362	1.0
551.17267	10.0
551.30664	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	551.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.8
71.01373	4.1
71.37023	0.7
73.02950	0.9
76.03339	0.7
81.62148	0.7
83.01384	0.8
85.02927	1.5
89.02444	1.9
93.03442	67.4
96.96025	1.1
101.02428	1.7
113.02460	1.2
130.35623	0.8
137.02437	100.0
138.03146	0.9
151.04041	0.9
173.49316	0.9
182.02216	8.3
197.04523	8.3
248.49925	0.9
274.08588	0.8
300.09891	1.0
311.09265	3.6
341.10367	1.2
344.12738	1.3
345.13403	1.2
359.14954	1.0
408.85257	0.9
488.14102	1.0
491.15637	4.8
503.15518	6.6
506.18082	3.5
518.16705	0.9
521.20355	19.6
533.20288	22.4
551.18201	5.2
551.30176	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	551.1775
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
57.88633	1.1
59.01367	1.9
59.63478	1.3
79.32891	1.3
92.19405	2.1
111.63590	1.1
113.17510	1.3
119.04953	2.2
121.01384	1.4
122.03735	1.6
126.60985	1.4
129.97630	1.3
133.02866	1.5
134.03722	34.3
137.02438	1.9
149.02437	1.6
149.06065	27.6
150.03218	17.4
160.05328	1.8
163.03931	3.3
164.04805	1.9
165.05528	59.1
172.05255	10.2
175.04123	1.4
178.02705	41.3
180.04335	3.1
187.07634	19.6
190.06317	2.6
193.05055	100.0
195.06667	19.6
205.08687	6.4
208.07249	1.6
221.06566	1.6
267.06522	2.1
272.80365	1.3
282.08923	5.1
318.72662	1.3
341.10226	2.9
359.15012	2.6
371.15121	10.2
389.12207	26.1
389.16135	3.2
391.15561	1.5
533.20117	3.1
551.17084	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	551.1772
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.42525	1.5
59.01375	20.8
62.00567	1.5
71.01373	8.2
73.02930	3.4
74.88420	2.0
85.02925	3.4
89.02437	7.1
92.19925	3.4
101.02427	11.0
113.02464	7.2
122.03659	2.0
123.04487	3.8
129.05655	1.9
134.02727	3.0
134.03737	80.6
137.02435	2.0
148.05281	2.0
149.02446	2.9
149.06087	30.1
150.03212	30.8
151.03998	34.4
164.04750	2.4
165.05553	97.7
176.04736	3.3
178.02702	63.9
180.04297	7.6
181.05035	7.7
191.07158	2.9
193.05052	100.0
195.06619	21.6
235.06026	7.4
282.08911	3.6
308.51526	2.0
389.12418	52.7
507.24588	15.9
551.17279	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1773
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01376	2.0
76.00005	1.0
87.00863	1.5
93.03403	1.1
96.96958	1.9
107.05040	8.4
134.03716	5.3
135.04515	100.0
141.39645	1.1
149.02458	10.0
152.01131	2.4
158.10674	1.0
164.04778	37.8
165.05563	19.9
169.05006	1.2
179.07123	11.4
193.01390	2.5
195.54117	1.2
205.03510	1.4
208.03766	70.6
209.82187	1.1
223.06100	94.1
250.06316	6.9
265.08725	2.2
274.13431	1.1
293.80405	1.2
307.45999	1.4
341.10266	6.7
389.12427	46.6
551.17676	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	551.1773
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.70814	0.9
52.72346	1.0
56.08682	0.9
56.64210	0.9
58.46003	1.1
65.54765	1.2
70.53323	1.0
98.57694	1.1
107.05006	11.3
127.60106	1.0
134.03725	2.8
135.04517	100.0
147.04448	2.2
149.02417	10.2
152.01106	1.8
163.04015	1.2
164.04771	40.4
165.05557	23.8
169.05104	1.2
174.74690	1.1
178.06204	1.2
179.07132	13.5
193.01404	5.0
208.03769	76.7
223.06122	97.6
246.29935	1.2
277.36292	1.2
292.18533	1.2
313.82425	1.2
389.12433	26.5
551.17761	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1774
Annotation	Isohaenkeanoside
Peak:m/z	Relative Intensity
53.92691	1.0
55.95156	1.1
59.01371	2.0
71.01373	1.4
73.02944	1.3
74.59991	1.0
78.97131	1.0
85.02946	1.6
91.05514	100.0
97.40321	1.1
119.04993	18.6
121.02962	1.6
128.44969	1.1
133.01353	1.5
135.04456	1.8
148.24342	1.3
161.04576	1.3
163.03990	83.6
165.01883	2.1
179.05502	1.3
180.04292	4.5
195.06616	8.6
225.07680	7.4
235.32468	1.2
267.06494	1.4
341.10736	1.4
389.12219	8.2
505.17078	1.5
551.19165	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
59.54572	0.3
79.95728	0.8
88.99557	0.4
89.93359	0.4
95.05988	0.4
96.95992	100.0
113.02461	0.5
118.57141	0.4
135.04491	0.8
160.19907	0.3
161.78362	0.4
186.71446	0.4
228.11116	0.4
249.12595	0.7
291.14832	0.5
368.76306	0.4
453.19992	0.7
551.18597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63252	2.3
59.01375	53.4
61.59055	2.0
63.24194	2.2
125.57118	2.5
141.01691	100.0
188.32248	2.2
219.11662	2.7
223.01979	12.9
250.96579	2.5
305.02371	28.0
387.02573	3.4
390.13199	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	551.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70448	1.9
52.53151	1.7
54.83501	1.7
56.89725	1.7
58.21875	2.0
59.01374	43.7
67.39637	2.1
71.01375	21.7
72.99305	2.2
73.02911	5.1
75.00883	2.7
77.16233	2.0
81.03468	4.3
83.01366	5.1
85.02934	10.1
89.02416	9.8
95.01366	4.2
95.04933	2.7
97.02938	3.1
99.00845	2.7
101.02443	16.2
113.02428	18.8
115.91476	2.3
116.95626	2.3
119.03474	2.5
123.04508	10.4
125.02412	32.3
135.04482	3.7
137.02425	5.0
137.06036	2.4
139.04019	4.3
151.04060	3.5
153.05605	7.4
155.03491	4.7
165.05536	2.2
167.03477	61.4
179.03473	19.6
186.46255	2.4
191.03542	2.6
191.07245	2.6
197.04570	30.7
197.18132	2.3
209.04565	100.0
221.04565	10.9
237.07646	4.2
239.05585	94.7
251.05557	4.4
269.06625	41.2
281.06525	3.7
299.07623	15.1
311.07663	3.5
329.08847	4.7
371.07645	25.5
389.11014	9.6
401.08679	19.8
431.10156	3.4
431.19431	4.9
443.09995	3.0
449.20242	5.0
461.11032	40.3
473.11749	1.9
491.12146	2.7
491.21463	8.0
507.24860	3.4
509.22372	4.7
533.13135	3.0
551.14020	48.3
551.23431	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	550.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61019	1.5
59.01372	7.5
59.91157	1.8
61.10228	1.6
70.45522	1.5
115.64422	1.9
123.08136	27.4
125.09698	19.7
133.06543	2.1
151.07643	25.0
169.08714	20.9
195.06664	3.9
213.07701	100.0
231.03465	1.9
302.69574	1.6
324.68890	2.1
347.84100	1.7
547.05066	1.6
558.53827	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	550.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85683	3.3
55.02849	3.2
55.52296	2.9
61.98825	100.0
96.48219	3.5
125.65137	3.2
320.96130	3.5
434.02124	3.4
462.16751	3.7
492.81085	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	550.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29080	1.2
52.40137	1.7
57.27522	1.4
71.52479	1.8
84.95430	1.8
97.76166	1.5
103.56535	1.6
133.02953	3.2
135.04482	35.6
147.04494	12.3
161.02419	88.7
161.04466	2.7
179.01927	2.6
179.03493	74.9
179.05302	5.2
179.05598	4.1
190.05110	22.0
204.87631	1.8
208.04398	2.4
208.06169	34.9
341.08755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32128	0.9
54.28275	1.3
59.01377	18.8
61.98827	1.9
68.08836	1.1
71.01377	2.5
73.02949	1.6
85.02921	1.4
89.02412	1.7
92.19272	1.2
101.02415	2.1
113.02419	1.6
120.38895	1.3
133.05302	6.9
134.06111	21.6
157.13472	3.0
223.14502	7.8
245.12947	2.9
247.14508	60.6
277.38144	1.3
304.04953	1.3
322.09155	1.6
341.19012	1.6
342.14609	15.1
358.21313	11.0
384.04364	1.2
385.20065	2.9
447.10443	1.7
454.26825	2.4
463.79214	1.2
489.34225	14.8
490.24722	6.4
499.32932	100.0
507.35107	2.9
549.30225	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	549.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31504	2.3
58.95405	2.0
59.01379	100.0
61.98822	10.2
62.74992	2.2
63.67299	2.2
65.43760	2.4
71.01363	14.1
73.02931	4.8
75.42842	2.3
75.70087	2.5
85.02932	13.9
85.25790	2.7
91.08347	2.8
91.39981	2.6
101.02438	15.5
113.02485	5.7
140.44601	2.5
141.99968	2.7
146.04092	3.0
213.18608	3.6
235.09218	2.7
396.05701	2.5
446.02786	2.9
489.27298	5.4
489.34286	66.0
507.28439	3.0
507.35037	21.1
549.29858	7.0
549.36481	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	549.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81503	1.1
133.05353	6.0
134.06116	19.7
153.06506	1.2
157.13460	2.6
160.04021	2.2
206.11685	1.3
223.14568	5.6
230.11803	2.9
247.14529	55.0
247.94713	1.4
273.12393	2.4
287.82629	1.4
342.14572	15.6
358.21512	8.0
385.20084	2.3
454.27185	1.9
490.24692	3.2
499.32895	100.0
530.02051	1.4
549.31976	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94955	1.1
68.83114	1.3
92.19363	1.4
95.41013	1.2
133.05318	7.5
134.06090	17.6
156.60347	1.4
157.13477	2.8
160.04016	2.8
219.90382	1.4
223.14525	9.1
230.11794	1.8
245.12967	3.0
247.14526	56.7
273.12473	1.9
318.45273	1.5
320.37848	1.4
321.05344	1.3
341.18729	1.9
342.14499	13.8
358.21356	6.5
385.20343	5.5
454.27170	6.2
499.32898	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	549.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94778	0.3
51.35263	0.3
57.44814	0.3
57.50591	0.4
59.01358	1.9
60.31457	0.4
79.95738	1.8
91.96844	0.4
92.77901	0.4
96.95998	100.0
101.02464	0.3
104.45041	0.4
111.04411	0.4
123.04528	1.7
128.03554	0.5
135.33142	0.4
164.03545	0.5
171.07758	0.4
250.09624	0.4
267.05371	1.5
268.05670	1.5
280.10703	0.9
283.08173	1.5
295.12900	0.6
327.07040	0.8
479.54669	0.4
549.21375	4.3
549.29474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	1.3
59.01381	39.0
64.17497	0.9
67.00930	0.8
71.01375	29.5
72.48194	0.7
73.02934	6.7
78.35214	0.8
81.36407	0.8
82.19392	0.8
83.01372	3.4
85.02945	11.4
85.70268	0.7
89.02432	33.9
95.01368	1.0
99.00855	1.0
101.01785	1.7
101.02433	32.9
109.80414	0.8
113.02436	19.0
119.03482	12.2
123.04431	0.9
131.03531	3.3
134.54929	0.8
159.02887	1.6
161.04590	6.3
197.15372	1.0
218.79160	0.8
225.14989	9.8
309.09772	1.0
325.07278	1.4
339.56186	0.9
372.64337	0.8
387.20193	20.1
549.25616	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	549.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	37.4
68.39573	2.5
71.01372	41.8
73.02944	5.7
85.02931	16.7
87.00850	3.7
89.02431	38.6
99.00850	2.8
101.02422	42.9
104.65496	2.7
106.58717	2.6
113.02403	22.5
119.03455	13.2
120.99615	5.6
131.03430	4.1
161.04538	11.2
221.06694	5.6
263.07486	3.1
387.20242	26.8
500.62909	3.6
549.25714	100.0
557.01471	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
64.13174	3.7
64.30790	3.4
68.79221	3.4
70.83971	3.7
71.01384	16.2
71.74394	3.9
73.02911	3.9
85.02941	4.9
99.00848	6.0
101.02418	16.7
113.02461	6.2
131.57918	4.0
161.04469	3.8
209.54915	4.0
286.36865	4.1
286.92813	5.6
338.09622	4.1
429.21387	42.0
447.22482	7.4
451.80496	4.2
489.23248	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	549.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53108	4.4
52.99931	3.9
59.01370	4.4
61.59519	3.7
65.07842	4.0
68.69871	3.9
70.84248	4.5
73.48493	4.4
78.98573	6.2
80.96513	60.2
83.62489	4.6
84.10760	4.8
84.49518	4.6
92.13668	4.2
94.98052	9.2
108.00689	4.2
109.60267	4.4
148.99103	4.1
152.98544	4.8
163.01610	4.7
164.98529	9.1
168.97144	5.9
225.00743	30.6
250.42694	4.6
286.30319	5.1
549.23578	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	549.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.5
65.06635	2.2
82.90324	2.5
85.02923	2.5
91.05520	100.0
96.96017	3.8
101.02430	3.7
135.04539	2.3
150.77629	2.7
154.47020	2.2
163.02641	3.3
163.04005	74.3
236.64597	2.6
430.93982	3.0
549.25787	10.2
555.37567	2.8
574.33575	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	549.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08679	1.2
68.66407	1.1
70.90070	1.2
72.24373	1.1
73.46654	1.1
87.00854	11.6
87.51624	1.2
108.02196	1.7
117.90537	1.3
121.02979	1.5
123.04504	35.2
140.34853	1.2
149.06073	7.6
152.01134	9.3
165.05603	12.8
167.02043	2.4
167.03474	94.3
193.05054	13.4
195.02980	14.2
251.13969	7.9
255.05089	100.0
268.98273	1.4
276.13409	4.7
293.16168	6.3
439.13116	1.4
502.55743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58462	0.4
59.01087	0.9
59.01378	27.2
68.75389	0.4
71.01374	35.4
72.99288	0.6
73.02937	13.6
83.01368	2.9
85.02946	9.9
86.00102	0.7
87.00869	7.8
89.02430	27.2
90.13480	0.5
95.01363	1.1
97.02936	1.1
99.00887	3.3
101.02434	36.5
102.80669	0.4
113.01661	1.0
113.02432	23.3
119.03488	7.9
121.10210	2.2
125.02434	2.0
129.01894	1.1
131.03497	16.9
143.03481	2.9
159.02956	4.2
161.04541	23.5
175.42632	0.5
179.05637	7.8
221.06654	17.8
263.07806	3.9
505.20990	0.8
549.21912	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	549.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51955	0.6
57.03449	0.8
59.01086	1.6
59.01377	46.3
68.91838	0.7
71.01372	32.0
73.02934	11.3
73.50008	0.8
81.31709	0.8
83.01379	3.1
85.02934	10.8
87.00842	6.0
89.02431	35.9
95.01333	1.7
96.96040	0.9
97.02950	0.9
99.00869	3.8
101.02431	35.1
113.02425	25.3
119.03502	11.1
121.10226	4.6
125.02410	3.0
129.01830	0.9
131.03494	11.8
133.02921	1.3
143.03452	6.6
149.04431	0.8
159.02982	1.4
161.04555	17.1
170.82912	0.8
179.03592	1.0
179.05592	7.8
203.05626	1.2
221.06635	17.0
263.07758	8.1
305.08676	1.9
327.08688	1.2
340.07889	1.2
347.68591	0.8
505.22885	0.8
505.30115	3.0
507.20792	3.2
549.21912	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	549.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98991	4.2
56.39354	3.9
59.01376	62.6
59.20269	4.5
67.10667	5.3
68.18134	5.5
71.01375	28.6
72.41787	6.2
73.02941	9.8
85.02922	7.1
87.00873	9.2
89.02435	29.0
99.00860	5.4
101.02419	47.3
113.02433	21.1
116.92824	6.2
119.03470	9.1
131.03430	5.9
161.04553	10.6
181.12329	28.4
201.09195	4.3
221.06630	7.1
251.57680	4.9
281.06488	5.4
287.92819	5.7
293.82202	4.5
336.34161	5.0
339.08734	6.8
368.17242	5.0
549.21588	100.0
549.28748	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	549.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04822	1.9
59.01375	57.1
60.30013	1.9
60.32011	1.7
71.01365	37.1
73.02934	19.1
73.19413	1.9
74.02444	2.2
83.01362	3.8
83.41394	2.2
85.02939	15.5
86.18843	1.9
87.00816	3.6
87.06045	2.0
89.02434	45.2
101.02427	40.4
108.94518	1.9
111.00855	2.9
113.02415	32.9
119.03472	9.8
121.10236	2.2
131.03485	14.4
143.03461	4.8
161.04549	22.5
179.05573	12.2
183.10231	2.5
221.06633	16.0
263.07562	3.8
505.22748	13.7
505.30215	6.9
507.20776	8.5
541.43414	2.5
549.21759	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	549.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32666	0.8
55.54029	0.7
56.36296	0.7
57.59225	0.9
59.01388	1.0
59.54395	0.9
61.50715	1.1
72.62232	1.1
92.19392	1.1
96.95982	3.9
100.03999	1.8
108.02151	4.0
111.00854	1.0
120.99657	4.7
121.02873	1.4
122.03775	1.2
123.04486	17.5
125.02345	1.1
128.03537	18.6
149.02394	8.4
150.03217	33.1
151.03943	1.3
164.03500	4.9
164.04823	3.7
165.05553	51.4
165.06953	1.7
167.03448	2.2
178.05084	6.9
180.04318	2.1
185.09317	15.4
192.06685	8.9
195.06639	2.0
203.10332	7.6
250.09543	1.8
294.12436	6.8
309.14706	7.4
330.59033	1.1
335.12561	6.7
493.36896	1.1
531.19525	2.2
549.20996	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	549.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83939	0.3
56.86791	0.3
58.70548	0.5
59.01381	1.0
62.36546	0.5
72.12152	0.4
77.31942	0.5
78.84357	0.5
79.95740	0.5
85.03003	0.4
86.02481	0.7
86.97211	0.4
96.95998	100.0
101.02415	0.7
108.02149	5.3
109.38735	0.5
123.04507	17.6
128.03534	11.3
148.04030	0.5
153.06679	0.9
164.03534	7.8
167.03474	3.4
169.06322	0.6
171.07747	10.3
177.04338	0.9
178.05075	7.9
183.31587	0.5
189.08751	3.3
192.06723	4.2
211.62254	0.5
218.04456	0.8
234.07889	0.6
237.08827	1.1
249.08728	1.1
250.09529	4.5
262.09641	0.8
277.11862	0.5
279.09903	0.9
279.64648	0.5
280.10638	14.4
295.12949	10.7
321.10925	3.0
377.12531	1.2
394.42606	0.5
505.23236	0.6
515.07117	0.5
531.19403	0.6
532.42389	0.5
549.20850	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04246	1.3
59.01381	16.2
68.26032	1.3
71.01365	6.0
73.02950	3.0
75.00867	1.9
83.01403	1.5
85.02934	8.6
89.02425	3.1
99.00899	1.5
100.07617	1.3
101.02430	2.5
102.02441	1.3
113.02431	2.2
130.08754	1.6
136.01636	24.4
137.02415	1.6
151.00342	1.4
151.03987	71.6
152.04781	1.5
166.02695	22.2
181.05060	42.6
192.04184	1.3
193.70866	1.3
238.69810	1.4
269.92908	1.3
354.56802	1.4
357.09799	22.9
372.12018	14.3
387.14462	100.0
505.19193	12.5
549.29388	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	549.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86954	2.5
59.01374	81.2
71.01366	45.3
71.08066	3.0
73.02936	68.8
75.24604	2.9
75.35706	2.7
79.21631	2.6
83.01375	16.4
85.02926	12.5
85.71518	3.3
87.00884	5.3
89.02419	36.4
92.19308	5.9
99.00900	3.4
101.01789	5.6
101.02420	82.0
104.56778	3.5
106.04247	3.7
113.02414	30.8
119.03419	7.2
119.05024	4.6
125.02433	4.0
131.03481	12.6
135.06285	3.5
161.04561	34.8
177.09203	7.9
179.05670	5.7
201.52199	3.3
221.06598	17.4
283.13388	34.4
288.09247	4.2
304.03940	15.5
505.20996	39.4
512.99542	3.2
518.26178	3.3
549.21918	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	549.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12573	2.8
55.01893	2.7
59.01376	54.2
60.49144	2.5
65.93114	2.5
71.01374	59.0
73.02927	20.1
80.02723	2.6
82.53820	2.4
83.01385	5.9
85.02942	31.8
87.00867	4.4
89.02437	27.6
95.01382	2.9
96.95995	17.6
97.02921	3.3
99.00865	4.2
101.02428	49.3
103.05528	6.2
103.13281	2.5
106.04164	3.2
109.06593	39.1
110.03719	10.7
113.02440	43.0
119.03516	5.5
119.05016	15.7
121.06577	100.0
125.02419	4.4
131.03506	10.6
139.07616	23.9
143.03474	3.5
147.04527	3.6
149.02298	3.4
161.04590	23.9
165.05527	4.8
198.77852	2.7
221.06633	10.0
236.99007	2.8
269.08240	5.2
281.08221	5.0
370.94019	3.1
445.17145	14.0
463.18686	19.2
471.05603	3.0
476.46069	3.5
487.18298	33.4
505.19272	63.5
525.09052	3.4
531.17126	17.4
549.18549	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1825
Annotation	Genipin 1-beta-gentiobioside
Peak:m/z	Relative Intensity
50.53339	0.9
59.01375	29.2
71.01373	10.1
73.02955	1.5
85.02931	1.4
89.02427	10.4
94.86436	1.0
96.96002	1.7
101.02416	9.7
102.98573	4.1
113.02412	5.8
114.42057	1.0
119.03479	2.1
125.02474	4.0
129.93430	1.1
143.03482	1.1
149.06064	2.2
151.03998	1.9
153.05611	2.1
165.01875	1.5
165.05522	16.5
166.06325	25.4
181.05025	1.9
181.08711	2.5
183.05089	1.0
188.28110	1.3
217.75514	1.5
225.07674	86.8
287.84106	1.2
327.91217	1.4
426.59268	1.2
549.18262	100.0
558.55139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63037	1.0
57.03465	1.1
59.01376	35.4
71.01374	25.2
72.99294	5.4
73.02924	8.5
74.03480	1.1
75.00859	22.0
83.01368	3.2
85.02923	24.8
85.90244	1.2
87.00860	6.8
89.02417	6.5
97.02919	2.2
99.00871	10.2
101.02440	10.0
113.02426	23.0
115.00316	2.1
127.17133	1.3
131.03471	5.2
173.04529	3.0
175.02510	1.2
215.05658	1.2
219.87605	1.3
235.04614	1.6
276.51859	1.5
387.14523	6.3
394.06927	1.3
409.30359	1.4
443.64871	1.4
505.19257	100.0
513.27252	1.6
549.21497	2.9
549.29199	2.8
553.42957	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	549.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01376	7.0
72.17214	1.0
72.99310	2.0
73.02934	4.7
79.80634	0.9
83.01359	1.2
83.33080	1.1
85.02937	4.8
87.00868	12.5
89.02449	13.9
101.02475	9.5
101.02995	1.2
113.02419	13.6
119.03494	4.4
129.01924	1.8
131.03508	3.7
157.01390	1.4
163.06099	22.8
179.05598	1.5
207.05086	14.5
341.10867	35.9
436.70749	1.1
465.17612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.6
59.01378	27.1
60.65313	1.0
67.47764	0.9
67.52300	1.0
71.01369	20.3
72.70004	0.9
72.99296	5.1
73.02936	8.1
75.00861	24.5
83.01366	1.9
85.02936	28.2
87.00871	8.4
89.02435	10.1
89.02901	1.1
89.74401	1.0
95.01407	1.2
99.00858	9.3
101.02437	8.0
107.72298	1.1
113.02428	28.8
115.00346	1.5
119.03456	1.4
126.44334	1.2
126.57117	1.0
136.01624	5.6
137.25314	1.0
143.55519	1.1
151.03987	24.7
166.02696	7.1
173.04523	2.0
181.05072	13.9
184.34515	1.1
302.15649	1.0
325.10846	1.2
357.09830	6.3
372.12128	1.7
387.14517	28.8
422.80045	1.2
505.19205	100.0
549.29126	1.7
573.20068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	2.7
58.42834	2.2
58.73792	2.5
59.01360	13.0
70.02957	5.5
71.01350	5.0
74.02464	42.7
85.02911	4.3
85.18598	3.3
92.87759	2.8
93.03458	2.7
98.02412	5.3
99.00863	4.3
101.02416	6.3
113.02444	9.5
116.03496	19.1
116.05028	10.5
133.02939	88.6
134.03728	41.3
135.04483	31.5
137.02405	14.9
147.81752	2.9
149.93390	2.6
150.03214	4.1
151.04056	3.4
160.01604	17.5
161.02431	68.6
161.04497	3.2
162.03104	4.1
167.65433	2.6
176.04732	5.4
177.01944	40.3
177.05548	4.5
178.02672	28.3
179.03471	62.0
194.05836	16.5
201.10349	3.6
203.08278	71.5
209.08189	4.7
223.41254	2.7
245.09273	100.0
271.13239	2.6
307.59891	2.7
312.25464	2.9
313.10986	5.7
313.94272	3.0
339.07056	6.2
340.07962	84.7
341.08600	11.5
343.11902	4.4
369.09897	4.8
387.10846	5.6
493.76346	3.1
505.21317	3.8
549.15704	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34174	1.7
62.64752	2.0
66.13303	1.9
66.92617	1.9
71.30222	2.1
90.37116	1.9
121.02933	100.0
129.30865	1.9
140.67670	2.3
165.01920	31.1
181.06558	2.9
251.07576	2.3
311.62134	2.1
453.16187	2.0
531.71777	2.3
549.10315	57.2
549.28589	2.5
577.87903	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	549.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39866	2.3
53.19285	2.3
53.27513	2.4
59.01378	100.0
69.03455	3.5
69.70264	2.5
71.01378	55.3
73.02938	87.2
74.70504	2.5
77.34732	2.8
81.03500	2.8
83.01375	18.7
84.42655	3.4
85.02936	16.2
85.34546	2.4
87.00856	4.2
89.02448	22.6
93.99261	2.5
95.74767	2.5
96.96021	6.1
97.02936	6.1
99.00852	3.5
101.02431	81.1
113.02440	29.5
119.03487	6.6
124.01634	13.0
125.02437	41.7
139.04031	11.6
143.03442	5.1
161.04512	13.3
177.92673	2.8
221.06554	4.4
233.61583	3.1
263.07846	5.4
305.08704	12.7
323.09900	14.7
356.64063	2.8
365.10889	40.1
445.13474	5.7
463.14731	10.8
505.15668	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90081	11.2
63.59735	9.1
69.49023	10.0
88.48208	9.2
98.69600	10.1
107.05007	21.3
130.08691	21.6
146.22931	10.6
151.03998	23.7
158.89528	10.9
182.58463	10.5
183.85698	10.6
195.15016	26.0
208.13588	16.0
293.22342	100.0
337.21225	15.3
489.26041	11.1
548.33417	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	549.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88141	0.6
66.10810	0.5
67.78207	0.6
79.95731	0.7
88.04036	2.7
93.16133	0.6
96.95997	100.0
97.89817	0.7
101.02425	0.9
104.32831	0.7
115.00355	1.3
132.03023	5.3
148.55106	0.7
173.07208	9.0
178.29129	0.7
179.03345	0.7
202.95715	0.6
241.40916	0.7
289.57977	0.9
292.11914	0.7
451.13583	24.8
549.18274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32629	5.0
61.98829	100.0
63.93388	4.1
91.21461	4.5
123.04543	5.9
162.21559	5.0
226.53160	5.8
316.34735	5.7
377.87479	5.4
548.25293	5.3
548.28955	4.3
548.36688	54.3
559.26239	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	548.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60714	0.8
58.87001	0.7
59.01370	1.1
61.98828	100.0
85.06600	0.9
96.91016	0.9
129.90912	0.9
145.90303	1.0
151.36963	0.9
172.13791	1.1
249.18710	1.4
250.18993	0.8
510.28085	1.6
548.36835	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	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	39.0
61.98826	100.0
71.01377	1.4
73.02935	6.5
77.86134	1.2
78.81667	1.2
85.02939	1.2
89.02422	2.0
101.02423	6.6
101.10654	1.0
105.85610	1.0
113.02425	2.0
116.94505	1.1
127.07667	1.0
161.04504	2.3
174.15050	1.0
176.08444	1.1
217.04715	1.2
221.54646	1.1
337.27972	1.1
407.46542	1.1
441.24838	8.3
445.26129	1.0
488.33054	2.0
548.25299	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	548.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	5.6
71.04982	2.7
78.95858	3.6
85.02924	5.7
88.04023	91.9
96.96011	9.2
126.84149	2.4
137.55560	2.5
138.01744	2.4
146.08220	48.9
205.03476	3.7
206.86507	2.5
218.10344	100.0
218.46764	2.6
308.83441	2.7
333.53198	2.7
548.13623	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	547.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	10.9
88.79770	2.3
103.03987	17.9
137.76723	2.7
184.29735	2.3
195.09990	3.2
425.30405	3.2
443.31723	43.8
547.28461	5.1
547.36505	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	547.4008
Annotation	Cholesteryl-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01375	1.3
62.00107	0.6
67.01888	1.6
68.81170	0.6
73.50450	0.6
99.80910	0.7
103.04011	8.6
159.54117	0.7
208.13248	0.8
397.34702	1.0
399.36349	10.1
417.37436	3.6
443.35413	7.1
485.36481	2.6
501.39716	6.0
503.41016	10.9
547.40076	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	547.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09937	6.9
69.74336	6.6
87.06111	6.7
99.08142	37.7
112.19286	6.4
162.01778	6.4
189.90236	7.1
197.07254	6.1
257.42786	7.4
278.53723	6.9
417.26346	7.6
435.27423	42.7
547.36572	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	547.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25362	0.5
56.39986	0.4
59.01374	7.4
67.01869	0.7
85.06071	1.1
85.06570	22.2
103.03966	4.4
103.33105	0.5
111.08118	0.7
115.91099	0.5
123.04547	0.7
126.50399	0.6
143.57494	0.5
164.69926	0.6
175.04047	2.0
249.18639	4.0
250.18916	3.4
251.19237	3.0
262.26627	0.7
308.73553	0.7
358.21884	0.7
360.19510	0.9
373.23596	0.6
375.21814	3.2
383.29648	2.3
399.28577	0.7
399.33041	1.1
401.30478	2.8
417.33765	3.6
443.31699	6.0
460.13647	0.7
487.34415	6.6
491.26868	1.1
509.27444	8.0
547.36414	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	547.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80334	1.6
55.22765	1.6
58.14909	1.5
59.01383	2.2
77.99049	1.8
78.21886	1.7
267.20020	1.9
419.86148	1.9
443.31491	7.8
547.36499	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	547.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62155	0.5
59.01379	7.7
71.01379	0.7
73.43315	0.5
86.52390	0.5
89.02422	1.1
101.02442	2.1
113.02437	0.8
119.03464	1.1
127.03121	0.7
135.83249	0.5
143.03569	0.6
152.33383	0.6
152.99579	0.8
164.04875	0.6
165.30574	0.6
179.05559	0.6
201.62866	0.7
233.19026	1.1
235.08055	0.8
247.18446	0.6
251.20154	100.0
253.09306	7.7
451.91287	0.6
470.41669	0.6
487.29150	3.8
547.36682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04888	0.7
56.16107	0.8
56.99417	0.6
59.01374	9.7
60.59289	0.8
63.19812	0.7
83.11742	0.8
89.02424	1.6
92.19932	0.9
101.02422	3.3
161.04608	0.9
244.10748	0.9
251.20140	100.0
253.09293	8.6
329.02255	0.9
374.09964	0.9
482.01248	0.8
487.29132	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	547.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14247	0.6
57.03445	0.8
59.01368	3.8
60.00562	0.7
67.01884	1.0
71.01363	3.5
75.99922	0.6
85.02920	1.0
86.89748	0.7
87.00856	7.9
89.02409	1.5
96.00383	0.7
96.96029	1.2
101.02438	3.4
108.02170	4.0
109.02937	0.8
111.00864	100.0
113.02435	1.6
121.02947	1.1
122.03742	0.9
123.04498	13.5
137.02461	0.9
148.99107	0.7
149.00349	0.7
149.02408	3.6
150.03200	31.2
151.04039	1.3
158.78436	0.8
164.03493	4.3
164.04796	3.5
165.05547	34.5
166.05066	2.5
166.06352	3.7
167.03391	1.7
167.04675	0.8
167.59830	0.7
171.02817	0.7
173.00896	8.9
178.05130	7.1
180.04292	4.5
181.08678	4.7
183.07730	10.1
192.06657	5.6
195.06569	1.7
201.08795	5.1
234.07611	1.2
289.11826	2.9
291.09592	2.2
292.10577	1.3
307.12961	2.9
333.10999	5.5
505.18906	1.2
529.18121	4.4
547.19305	60.3
547.26575	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	547.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03436	1.8
59.01375	16.5
71.01376	19.6
72.99290	1.6
73.02923	6.3
75.00861	25.1
82.02090	1.2
82.28023	1.1
83.01426	1.3
85.02940	32.3
87.00839	10.3
89.02406	6.7
95.01383	2.4
96.95955	1.9
99.00863	7.8
101.02425	15.0
113.02434	35.5
115.00333	2.1
117.01882	1.7
209.15428	2.7
408.08237	1.3
476.32925	1.5
496.89304	1.4
547.23944	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	547.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96773	1.3
55.32414	1.2
58.30490	1.1
59.01372	2.6
62.96057	1.2
87.00861	6.7
93.03439	13.0
96.11991	1.2
96.95997	9.3
101.02415	2.5
111.00866	100.0
133.80779	1.5
135.04471	1.8
137.01482	1.8
137.02446	42.4
141.81992	2.0
156.15900	1.7
166.15134	1.5
166.22391	1.5
173.00955	10.1
179.03419	2.1
211.27585	1.4
241.79149	1.4
244.32553	1.7
284.78009	1.6
367.74536	1.3
503.14175	2.7
547.26208	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	547.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02284	5.2
57.97534	5.5
59.01382	89.5
61.30086	7.6
61.68660	5.1
69.75100	6.8
71.01382	100.0
73.02943	31.1
85.02933	40.1
87.00879	7.7
89.02424	58.8
94.71242	7.4
95.01345	6.3
96.95968	9.9
101.02436	94.7
101.46484	6.2
111.59880	6.1
113.02442	64.8
119.03484	23.9
123.04433	7.5
124.81547	5.6
131.03505	13.7
137.02425	42.6
139.60776	7.0
149.15211	7.4
153.09227	34.5
161.04587	55.0
165.09219	32.9
179.05591	53.9
192.06700	31.0
204.42554	6.9
205.12358	92.4
221.06683	87.5
263.07648	32.3
271.98849	6.7
307.44412	7.7
327.05597	6.2
409.35907	6.5
529.22998	42.0
547.18274	29.5
547.24695	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	547.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49540	1.6
51.88932	1.2
55.16803	1.5
58.31081	1.3
59.01086	2.9
59.01379	74.8
71.01372	62.2
73.02943	13.9
74.47446	1.7
77.63026	1.6
78.83103	1.4
83.01389	3.0
85.02937	15.5
86.05497	1.4
87.00867	10.1
89.02429	79.3
95.01376	3.5
99.00877	2.3
101.02425	64.6
113.02428	49.5
119.03471	23.6
131.03496	29.6
143.03540	3.1
156.19771	1.6
159.02974	3.0
161.04556	40.2
176.08456	2.3
179.05605	39.4
187.11298	3.0
190.10150	1.9
205.12346	6.9
210.85767	1.5
213.33258	1.4
221.04556	1.9
221.06656	45.5
228.86864	2.0
232.83751	1.8
233.11925	2.1
250.69478	1.8
263.07715	37.3
323.09924	2.2
385.18454	4.0
547.23999	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	547.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08370	1.3
54.20029	1.3
56.59525	1.4
57.03451	2.6
57.58512	1.9
59.01382	36.6
61.00258	1.7
70.92196	1.7
71.01373	40.4
73.02938	10.7
78.82253	1.9
83.01392	2.2
83.32745	2.0
85.02945	14.0
87.00858	2.7
89.02437	36.3
95.01369	3.1
98.63835	1.8
101.02431	36.4
105.11829	2.1
111.00851	3.4
113.02434	28.3
113.31414	1.9
117.65156	2.0
119.03468	9.8
125.02425	2.5
129.01936	1.9
131.03394	6.3
137.06087	2.0
139.33470	1.8
150.03198	10.7
152.08423	9.3
153.09204	33.3
158.77869	2.1
161.04541	16.3
165.05539	10.8
179.05588	3.3
179.68304	1.9
183.07707	2.2
205.12314	22.2
221.06616	8.3
223.13382	9.5
263.07620	2.1
285.99146	2.0
364.77335	1.7
376.44217	1.8
385.18665	41.9
451.07465	2.2
481.27341	1.8
547.24542	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	547.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	6.4
71.01373	3.3
73.02937	2.8
84.04553	1.6
85.02927	2.0
89.02420	1.7
92.19955	3.0
101.02443	5.6
103.14979	1.3
108.02144	2.8
121.02917	2.1
122.03720	1.8
123.04494	6.2
128.03464	2.6
147.98177	2.0
149.02406	9.2
150.03223	32.9
150.98692	1.8
151.03943	2.5
164.03484	7.4
164.04756	2.9
165.05553	47.9
178.05078	6.3
180.04216	3.1
183.11375	8.2
192.06651	8.6
195.06543	1.9
201.12454	13.4
225.90047	1.8
256.07010	1.5
291.13635	2.0
292.14276	17.8
307.16589	7.7
427.67233	1.8
440.18887	1.9
492.84747	2.3
547.22925	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	547.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	3.4
59.01375	78.6
60.38975	2.0
69.91940	1.4
71.01370	76.1
73.02936	12.9
83.01366	6.7
84.06540	1.7
85.02957	13.7
87.00856	8.0
89.02427	100.0
95.01389	6.6
97.02986	3.0
101.02425	62.2
113.02435	45.6
119.03481	38.9
121.01088	2.3
131.03500	15.9
142.25981	1.6
143.03474	3.5
148.05287	16.7
148.86884	1.7
159.02930	3.9
161.04547	31.3
163.07637	24.8
166.06412	3.2
179.05602	60.8
181.08701	33.3
221.06636	27.1
235.18083	1.6
263.07690	64.4
323.09842	2.6
382.88934	1.6
505.19318	10.6
547.20050	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	547.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44518	1.5
57.03445	1.8
59.01123	2.3
59.01378	39.4
68.87864	1.6
71.01369	32.1
73.02941	13.3
83.01371	7.1
85.02935	17.2
89.02422	12.6
93.46161	1.6
95.01369	3.1
99.00862	2.5
100.29681	1.6
101.02426	30.8
102.03765	1.8
102.98586	1.7
112.01661	3.0
113.02447	19.0
119.03499	2.8
135.04457	3.0
161.04568	6.8
166.06335	8.5
167.07121	2.4
181.08696	51.4
220.93059	1.8
221.06702	2.6
289.10880	1.7
325.12943	26.6
343.13965	35.6
385.15082	17.5
487.18378	9.6
505.19293	27.7
547.20349	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	547.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01959	1.0
57.03444	2.7
59.01378	19.4
71.01365	20.9
72.99288	7.9
73.02928	5.8
75.00863	22.3
77.90939	1.0
83.01378	2.3
85.02938	31.7
87.00842	5.7
89.02444	10.6
92.19321	2.1
95.01379	2.5
97.02927	2.8
99.00854	7.8
101.02402	9.2
103.00346	1.7
111.00916	1.5
113.01675	1.8
113.02434	45.9
115.00304	1.7
117.01972	1.5
131.03473	2.6
145.35324	1.2
147.11804	8.1
149.25354	1.2
173.04527	7.2
175.02434	2.1
193.03514	7.5
235.04610	10.7
327.21231	1.3
337.07623	1.5
371.17093	2.4
372.63583	1.2
547.20325	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	547.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19061	1.0
65.22726	1.1
71.01399	1.2
80.32355	1.0
87.00881	1.5
96.95979	1.4
107.67743	1.2
108.02136	5.8
110.11472	1.1
111.00863	22.8
122.03683	1.7
123.04494	13.3
124.04000	1.6
128.03473	5.0
141.06689	2.4
149.02443	9.2
150.03210	44.7
150.05548	1.2
152.03618	1.1
164.03514	5.5
164.04814	5.3
165.05556	59.3
165.06944	2.0
166.05086	1.5
173.00899	2.1
177.04230	1.2
178.05093	11.4
180.04276	7.3
183.07755	14.7
192.06741	4.3
195.06612	4.9
201.08784	7.7
204.06718	1.2
218.04625	2.2
225.35370	1.2
232.56290	1.2
289.11890	4.3
291.09784	6.3
292.10724	6.6
300.08716	1.4
307.12854	4.3
314.10104	1.3
333.10971	8.3
456.73792	1.2
481.16040	2.3
529.18073	6.4
547.19312	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	547.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32450	0.6
59.01361	9.4
82.95444	0.7
83.39320	0.7
85.02927	1.0
88.92653	0.7
96.95987	1.5
100.80830	0.7
113.08867	0.8
134.22621	0.7
144.53578	0.8
158.21628	0.8
193.08672	1.3
199.07661	0.7
223.07629	6.1
233.68336	0.7
240.25616	0.8
251.10834	4.0
255.72105	0.7
263.10782	3.8
269.11813	25.3
281.11771	4.6
290.09860	0.8
311.12900	100.0
323.12848	25.5
341.13916	1.6
547.27094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57101	1.5
57.77379	1.5
59.01376	26.4
61.98823	1.8
71.01373	9.8
73.02932	2.7
83.01368	3.1
85.02936	8.7
87.00867	2.4
88.40168	1.6
89.02410	3.1
101.02425	10.1
141.37259	1.5
159.33560	1.6
197.94659	1.7
261.38550	1.6
269.11826	74.2
281.11853	33.2
295.73279	2.0
353.13828	2.8
358.72653	1.9
413.16028	17.0
425.16306	3.4
431.17072	64.1
443.17078	14.3
464.11899	2.0
473.18127	100.0
485.18216	30.7
503.19067	3.3
547.20013	7.1
547.27936	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	547.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.1
63.99451	3.0
64.10487	2.5
67.91383	2.8
71.01360	3.8
73.02937	3.2
75.00877	4.6
85.02950	13.0
87.00866	7.4
93.03446	14.2
96.96013	21.3
98.27706	2.9
101.02420	6.8
111.00871	10.1
113.99512	3.9
115.00322	12.8
137.02405	13.9
149.22258	2.8
153.05553	4.3
174.01700	32.9
175.02440	6.0
179.03453	3.5
191.07088	12.0
309.20654	3.2
503.14081	17.9
547.16840	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	547.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88312	0.9
59.01357	3.9
62.21410	0.9
71.01369	1.3
73.02914	1.1
85.02926	1.7
89.02404	1.5
96.95981	9.8
101.02406	1.5
113.02435	1.7
137.02406	1.2
149.02415	10.4
152.01128	6.0
163.03975	2.3
164.04770	47.3
169.05029	3.9
177.01942	2.1
179.03574	1.2
179.07138	21.9
193.01448	7.1
208.03764	100.0
221.01054	1.5
223.06100	78.0
393.08478	1.0
402.32037	1.0
428.90436	1.0
537.92108	1.1
547.16730	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1669
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
54.35116	0.5
55.06095	0.5
59.01365	0.8
62.31062	0.6
67.07742	0.6
86.61165	0.6
110.65407	0.6
124.23801	0.6
135.04524	1.1
149.02426	6.6
150.17938	0.7
152.01137	2.9
160.36864	0.7
163.03938	1.3
164.04778	29.0
167.78799	0.7
179.07106	10.8
193.01393	6.7
208.03761	67.7
223.06108	100.0
338.97733	0.6
353.87131	0.7
547.16626	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	547.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88312	0.9
59.01357	3.9
62.21410	0.9
71.01369	1.3
73.02914	1.1
85.02926	1.7
89.02404	1.5
96.95981	9.8
101.02406	1.5
113.02435	1.7
137.02406	1.2
149.02415	10.4
152.01128	6.0
163.03975	2.3
164.04770	47.3
169.05029	3.9
177.01942	2.1
179.03574	1.2
179.07138	21.9
193.01448	7.1
208.03764	100.0
221.01054	1.5
223.06100	78.0
393.08478	1.0
402.32037	1.0
428.90436	1.0
537.92108	1.1
547.16730	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66602	1.9
57.37202	1.6
59.01382	18.8
71.01376	29.3
73.02945	4.0
80.98630	1.5
83.01376	3.2
84.95878	1.5
85.02943	9.9
87.00822	2.4
89.02430	7.0
93.02885	3.3
93.03443	71.0
96.96012	3.0
97.02892	1.6
101.02428	17.2
111.00868	23.8
113.02421	15.0
122.86687	1.6
125.02425	2.2
137.02441	59.2
161.04532	9.4
173.00777	2.4
212.81381	1.5
220.38193	1.6
252.19022	1.9
417.13934	6.3
459.15308	2.7
503.14084	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	547.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02899	1.1
57.10818	1.3
59.01376	24.8
71.01375	24.0
73.02937	6.5
74.73500	1.3
83.01334	2.1
83.33311	1.5
85.02924	12.8
87.00875	1.4
88.31818	1.3
89.02416	8.8
93.03444	78.7
101.02435	22.1
111.00874	23.5
113.02425	16.6
119.57180	1.3
137.02432	58.5
161.04524	7.5
173.00871	2.1
192.18927	1.7
258.01797	1.7
292.20010	1.4
381.80411	1.5
398.93408	1.8
400.64285	1.5
417.14090	3.2
459.15234	5.8
503.14130	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	546.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70602	2.8
58.76952	2.5
69.43414	2.9
78.95887	32.7
83.01393	6.8
92.10395	3.2
99.08135	6.2
99.55691	3.5
152.99577	100.0
193.12292	7.4
275.75537	3.8
293.21310	14.9
352.75095	3.8
451.27032	38.4
459.24896	24.2
487.24429	12.8
546.28436	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21832	0.6
76.75855	0.8
78.04910	0.7
78.95895	20.2
83.87539	0.8
96.96941	4.3
105.44432	0.7
118.51142	0.9
152.99574	100.0
171.00578	3.5
453.91843	1.0
459.25073	17.6
546.28394	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	546.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50184	0.8
57.03442	1.0
75.22132	1.1
78.95899	22.9
79.36539	1.0
83.01370	10.0
96.96931	4.8
99.08143	3.7
152.99570	100.0
171.00648	2.2
193.12436	1.8
293.21194	7.1
451.27023	16.3
459.25214	20.7
463.26071	1.0
487.24582	9.1
496.33527	1.2
546.28345	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64533	1.2
58.04081	2.8
59.01374	100.0
62.49378	1.3
67.89912	1.3
71.01357	10.8
73.02911	2.9
75.81749	1.3
85.02929	2.2
87.00882	1.9
93.89821	1.5
96.95984	5.6
97.02939	5.7
101.02410	13.9
113.02425	6.8
121.56158	1.6
122.82542	1.3
125.06084	11.2
142.31345	1.3
144.52414	1.5
159.02962	1.8
161.04536	7.0
166.08723	1.7
176.03612	2.2
207.08716	55.5
208.10872	8.1
247.58028	1.4
249.09769	40.7
252.09859	23.7
479.40103	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	545.3847
Annotation	Oogoniol 1
Peak:m/z	Relative Intensity
56.04346	0.6
59.01373	8.9
61.84911	0.6
69.96638	0.6
103.03996	20.5
145.71161	0.7
213.13005	0.8
395.33151	1.3
397.34760	2.7
415.35721	0.7
427.39511	0.8
441.33719	14.9
483.34613	1.0
499.37842	0.7
545.38470	100.0
553.30365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3485
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
51.20333	8.5
58.12968	8.6
59.01373	11.5
63.42231	9.1
85.06571	23.9
100.51356	10.5
103.03978	11.4
111.41679	9.7
159.35124	10.0
271.31857	9.9
545.34888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21856	0.6
55.22167	0.6
56.05321	0.7
57.03413	0.6
57.17833	0.6
59.01368	4.9
71.01377	3.9
72.00902	0.9
73.02962	1.2
74.02473	1.5
88.33884	0.9
89.02416	1.2
93.03444	3.3
96.95979	1.0
99.04498	0.8
101.02431	2.5
113.02428	1.7
119.05017	5.6
126.13988	0.9
127.08752	1.2
129.10327	13.5
134.06154	7.9
136.07704	1.8
143.11887	1.3
153.06665	1.7
155.08269	12.9
155.11932	1.4
157.13480	12.3
162.05583	1.1
163.04001	4.8
169.09787	1.5
179.15546	3.2
180.06670	25.8
187.10884	5.2
215.39281	0.8
223.14505	4.5
225.19781	1.9
232.13313	0.8
247.14426	1.4
249.16100	18.9
268.20297	3.5
293.15054	9.4
343.20099	1.4
344.16150	10.2
358.70728	0.8
360.22845	1.4
364.26392	0.9
523.24707	3.3
545.33496	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3346
Annotation	3-O-alpha-Mycarosylerythronolide B
Peak:m/z	Relative Intensity
51.64987	1.2
55.46376	1.0
55.92707	1.1
57.45924	1.0
59.01377	1.4
59.59012	1.0
71.01353	1.7
74.02451	1.7
79.26618	1.4
85.95290	1.2
87.59225	1.2
92.20064	1.4
93.03430	2.1
107.36803	1.3
119.04993	6.7
127.08675	2.3
129.10324	12.7
134.06111	6.8
136.07678	2.2
138.55739	1.5
149.05995	1.4
155.08263	12.0
157.13441	12.6
163.03987	5.1
169.09819	2.2
179.15462	2.2
180.06679	18.8
187.10928	5.0
219.85628	1.5
223.14560	2.5
225.19644	2.0
231.07750	1.2
247.14650	2.1
249.16103	18.7
257.29169	1.2
268.20367	1.6
275.10635	1.4
293.15039	7.9
299.78464	1.4
343.19962	1.3
344.16431	9.8
360.23032	3.1
545.26422	3.7
545.33484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3346
Annotation	3-O-alpha-Mycarosylerythronolide B
Peak:m/z	Relative Intensity
53.68559	0.7
59.01379	3.5
59.70156	0.7
64.68665	0.8
65.88644	0.8
74.02469	1.6
77.92336	0.9
83.64142	0.8
87.84446	0.9
93.03426	1.8
98.13588	0.8
107.74209	0.8
119.04984	4.4
126.28487	0.9
129.10339	13.4
134.06114	7.6
136.07658	5.5
143.11894	2.1
146.15117	1.0
151.10361	0.8
155.08261	15.8
155.11913	1.0
157.13438	10.2
159.73100	0.9
163.04002	5.1
169.09831	1.4
179.15511	3.0
180.05212	1.3
180.06668	21.7
181.09520	1.0
187.10895	2.0
223.14496	6.2
225.19720	3.6
231.07635	1.2
236.71265	0.9
247.14442	2.0
249.16048	19.4
250.24693	0.8
268.20187	1.2
275.13904	1.0
275.88010	0.8
282.10486	0.9
293.15045	9.9
343.20041	1.3
344.16104	9.2
360.23038	4.6
539.06049	0.9
545.33502	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63542	1.1
54.93370	0.9
56.49956	1.1
57.29118	0.9
59.01366	10.6
70.83067	1.0
71.01385	1.2
89.02393	2.0
101.02429	1.9
180.33122	1.2
245.52753	1.1
249.18587	100.0
253.09169	10.1
316.41815	1.1
398.22308	1.3
485.27643	2.4
511.98621	1.3
562.28162	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	545.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.5
70.84488	1.1
74.02465	1.7
74.78844	1.3
95.66141	1.4
96.04549	2.6
110.06083	7.1
116.05038	17.6
124.07652	10.8
130.06549	1.5
137.04768	6.0
142.06572	1.8
157.07700	10.6
158.09746	2.6
187.12393	6.4
203.08299	2.9
284.11679	6.8
285.12262	2.5
338.18661	2.6
356.19855	8.2
471.23831	5.6
480.43295	1.5
485.25580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95603	2.5
58.20521	2.3
59.01375	12.5
96.55748	2.3
103.24619	2.3
168.13092	2.6
195.30898	2.3
209.98096	2.4
249.18604	100.0
253.09303	10.0
265.44040	2.4
267.36652	2.6
288.60895	3.6
293.67542	2.4
347.89212	2.7
387.23193	2.4
474.20181	2.2
485.27295	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	545.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42126	1.1
53.47227	1.0
59.01368	4.6
61.15813	1.0
74.02450	2.5
91.57652	1.0
92.19940	1.4
96.04539	2.5
98.06060	1.3
100.00425	1.5
104.92281	1.2
108.04581	1.6
110.06104	5.6
116.05051	13.3
124.07658	6.0
130.06619	1.2
137.04781	2.6
142.06635	1.1
157.07698	9.0
158.09715	5.0
159.09253	1.5
183.88033	1.0
187.12434	2.6
190.65134	1.1
203.08319	2.3
245.07884	1.1
253.82071	1.4
260.85077	1.1
280.11481	1.2
283.17871	1.1
284.11646	5.0
285.12387	1.4
356.19836	6.9
454.77545	1.2
471.24060	8.2
485.25595	100.0
541.92957	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	545.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	6.5
59.01363	1.4
64.42989	1.3
65.12994	1.3
65.39472	1.5
65.90531	1.6
66.04237	1.2
74.02463	7.4
76.19087	1.3
92.19945	1.5
96.04530	1.6
97.04080	3.2
98.02451	1.5
99.05621	6.3
100.00433	1.8
108.04501	2.6
112.04028	6.1
112.07698	3.6
113.03508	1.8
122.06123	2.2
124.04031	3.1
125.04778	2.3
126.05614	3.2
127.05109	12.7
140.07166	15.0
143.04602	3.2
146.90771	1.3
152.03459	3.0
155.08229	24.9
158.19864	1.7
163.88771	1.6
165.06691	16.9
167.60844	1.4
183.07703	24.3
215.06726	3.5
227.06731	22.7
229.52986	1.9
229.98586	1.7
261.05481	100.0
386.41574	1.6
534.07416	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	545.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66582	0.8
56.02985	0.7
59.01393	1.1
71.01373	9.5
72.99291	2.3
87.00890	1.5
89.02414	4.6
96.95989	1.7
115.00354	43.0
133.01418	100.0
151.31842	0.9
160.62511	0.9
161.02400	1.2
218.94640	0.8
234.40012	1.0
249.12331	1.0
356.23792	1.1
381.24619	0.9
399.81223	0.9
442.21979	1.1
567.94489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74939	2.3
57.03439	11.9
59.01379	52.5
65.07011	2.5
71.01375	31.7
73.02932	17.9
73.24024	2.8
84.04531	3.7
85.02941	100.0
87.00862	33.5
89.02422	6.3
101.02425	32.5
111.00867	90.2
113.02441	22.9
119.03409	4.2
128.03500	18.3
129.01910	10.9
141.01904	2.8
161.04533	4.5
171.07701	28.8
176.54391	3.1
240.58006	2.8
241.03758	2.7
242.77928	3.3
344.78049	3.3
371.20850	43.7
441.25507	3.1
501.23404	37.3
545.25262	12.8
545.34448	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	545.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44600	1.0
54.45392	0.9
55.01867	1.2
57.03446	1.3
57.77023	1.2
59.01379	20.2
60.94868	1.2
65.46968	1.1
71.01364	17.2
73.02930	2.8
73.22385	1.2
83.01379	2.6
85.02945	6.4
89.02422	5.0
96.96002	5.0
101.02420	16.3
107.43884	1.5
113.02416	10.0
119.03460	1.8
123.64136	1.5
133.06607	2.8
146.03720	52.6
157.63980	1.3
161.04556	6.6
161.06053	31.3
164.04773	46.8
179.07118	100.0
181.43924	1.2
211.76660	1.4
348.81320	1.2
503.17667	14.1
537.03607	1.6
545.18848	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00652	0.5
64.01681	0.6
66.33237	0.5
70.10979	0.5
71.01373	9.1
72.99299	3.2
84.00148	0.6
87.00861	0.9
89.02441	2.3
115.00358	43.3
120.99079	0.6
133.01422	100.0
136.13782	0.6
161.02470	1.0
179.03430	0.7
183.66098	0.6
231.26602	0.6
249.12566	0.9
306.69604	0.6
349.05722	0.6
411.17981	0.6
475.35907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66349	2.0
59.01368	8.7
68.32331	1.8
73.55454	1.7
75.00858	3.1
93.16730	2.0
96.95992	10.8
101.02448	2.0
108.02128	10.6
109.02964	2.4
123.00890	2.1
123.04501	26.1
128.03476	3.0
144.76788	2.0
164.03548	4.4
166.05045	2.7
177.04257	13.3
178.02698	14.4
178.05087	16.5
179.03505	2.8
183.07753	21.0
192.05042	3.3
192.06667	76.0
193.05031	13.0
201.08784	12.0
212.89833	2.2
218.04411	2.2
234.07718	23.6
241.06947	2.1
291.09711	4.4
292.10629	2.3
306.12097	2.1
333.10828	3.3
335.48758	2.3
351.12085	3.0
501.16232	9.5
527.16504	12.4
545.17737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55009	2.0
57.17578	1.8
58.06210	1.9
59.01374	25.0
67.47494	2.2
115.03989	66.7
126.71069	2.6
131.03473	15.1
161.02409	10.4
161.19629	2.2
166.77045	2.3
179.03482	3.8
203.01973	100.0
231.00372	2.3
282.52264	2.3
341.08597	8.6
454.98633	2.3
540.35785	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81627	1.1
52.93205	1.2
59.01375	27.4
61.30822	1.4
61.92742	1.3
115.03986	81.5
115.89449	1.4
131.03482	17.2
156.16821	1.7
203.01967	100.0
215.70871	1.7
236.65509	1.4
422.14557	1.7
444.45511	1.6
478.80060	1.6
551.49799	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	545.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08641	1.1
57.47164	1.3
58.24072	1.1
59.01376	31.3
62.43857	1.1
71.05022	1.6
72.79977	1.3
74.65300	1.2
78.23904	1.4
78.95894	5.4
88.83285	1.3
96.61135	1.2
97.06582	1.5
113.02453	2.4
115.03992	86.3
131.03496	19.4
141.05573	3.1
145.30573	1.7
166.97543	2.3
184.60767	1.7
202.07207	2.3
203.01979	100.0
203.05463	12.7
203.07309	2.0
203.10548	1.5
239.15714	1.3
321.19122	1.5
416.55423	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	545.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52896	0.3
60.83905	0.3
61.56272	0.3
62.43146	0.4
78.95895	2.9
79.95733	1.7
83.09208	0.4
83.44707	0.4
95.38873	0.4
96.95999	100.0
96.96909	7.9
130.03128	0.4
152.51227	0.4
152.74091	0.4
158.26845	0.4
258.09583	0.5
547.64417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94384	0.9
59.01377	11.4
71.01366	3.6
72.52741	0.9
73.02960	1.6
83.05035	1.2
84.90252	1.0
84.93875	1.2
96.95986	1.5
99.92549	7.4
100.93350	11.6
101.02433	1.9
113.02457	1.4
115.92068	10.5
116.92837	100.0
142.94379	2.2
154.76587	1.0
197.11855	1.2
198.15274	0.9
351.96179	0.9
485.25693	2.0
501.10593	3.9
501.23547	5.7
545.09619	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14169	1.0
51.55467	0.9
53.08980	1.0
54.58599	0.9
59.01092	1.3
59.01378	31.3
71.01379	13.1
73.02930	17.4
81.03439	11.7
81.41280	1.0
83.01376	5.3
83.05019	52.2
85.02922	1.7
86.02451	2.0
89.02413	6.8
95.88369	1.0
99.00831	1.1
101.02431	16.6
113.02456	7.5
119.03428	1.4
125.02454	1.7
145.05057	1.5
155.37616	1.2
170.08188	4.5
181.12305	4.3
188.09236	16.1
194.15417	1.3
224.12978	1.3
285.28625	1.1
332.13568	9.5
350.14557	19.5
386.23016	1.1
392.15854	2.2
484.25470	5.7
500.25739	5.0
502.26459	2.1
503.16220	1.3
544.27643	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	544.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96196	0.4
60.70839	0.4
75.97097	0.3
86.06135	0.5
87.00842	0.6
87.04506	0.4
88.04050	0.9
125.56030	0.4
135.02682	0.4
148.04012	0.7
158.08195	1.7
161.02367	0.4
174.01903	0.8
175.02739	7.7
176.03508	100.0
190.01402	3.4
202.07193	4.1
219.01656	0.7
220.02470	2.3
331.56064	0.4
417.70914	0.4
500.13782	3.4
544.13037	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09155	0.8
59.01376	35.7
61.98820	1.3
70.67332	0.8
71.01373	12.7
73.02933	16.4
81.03446	9.5
83.01376	5.5
83.05014	40.4
85.02927	4.1
89.02422	6.2
96.23088	0.9
101.02419	19.7
113.02420	9.6
119.03479	2.0
127.03888	1.2
139.07640	7.8
143.03465	1.0
158.11861	2.2
170.08220	3.5
181.12352	8.5
183.10217	1.0
188.09283	12.8
194.15329	1.0
224.12874	2.3
322.20187	1.2
332.13464	5.5
350.14651	14.9
392.15735	1.2
490.11523	1.2
502.26837	1.6
544.27625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34930	1.2
59.01375	90.9
60.19012	1.2
71.01372	28.9
73.02932	10.4
82.92506	1.4
83.01360	3.5
85.02945	20.6
87.04498	8.5
89.02438	10.5
95.01402	2.6
99.00853	2.0
101.02436	17.9
101.06080	2.2
105.78426	1.6
113.02424	23.5
116.73569	1.5
161.04536	9.1
290.10214	1.5
339.25690	1.7
354.34329	1.5
382.72507	1.4
418.86877	1.4
483.29663	100.0
499.25851	2.6
501.30637	13.9
525.35986	1.7
543.32245	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	543.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57186	1.0
59.01379	100.0
71.01378	18.7
73.02939	11.6
73.05183	1.1
81.78958	1.1
85.02936	11.1
87.00857	1.4
87.04501	4.6
89.02443	9.3
95.01325	1.2
101.02433	12.0
109.21931	1.3
113.02435	20.3
114.42755	1.1
118.87154	1.1
118.89493	1.2
161.04538	4.5
179.05598	1.5
194.79781	1.1
195.93097	1.3
239.12082	1.3
241.15164	1.3
321.89038	1.2
383.80801	1.4
388.87698	1.1
483.29645	41.9
499.25110	1.9
501.30655	7.6
543.31641	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	543.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.74472	1.3
62.25041	1.3
68.30534	1.3
68.70515	1.2
71.01376	17.5
73.02931	8.3
83.01377	2.5
85.02928	7.2
89.02406	6.2
92.19952	2.1
99.00853	3.0
101.02422	19.4
113.02426	11.8
161.04521	1.7
179.05544	2.1
439.26895	6.3
457.27942	7.6
483.29300	2.4
493.55725	1.6
499.29437	38.8
543.27380	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	543.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
63.17529	1.3
82.07450	1.4
83.60029	1.6
96.10930	1.4
96.96027	2.8
112.08790	6.7
121.02939	5.8
127.66305	1.6
129.10344	2.7
131.26309	1.5
135.04532	12.9
137.05989	2.0
142.65601	1.4
154.09868	6.3
157.88239	1.4
163.04002	1.9
249.12427	67.9
251.14014	81.9
276.13522	68.9
293.16199	100.0
313.29904	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	543.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81382	1.1
61.67749	1.2
74.50841	1.1
87.00862	100.0
92.88784	1.0
93.03448	2.3
96.96006	2.3
111.00876	1.1
111.04503	11.4
125.06020	1.1
125.16548	1.1
132.45425	1.5
137.02457	1.9
175.43082	1.3
199.87538	1.1
208.10869	4.8
243.05087	17.0
252.09819	9.0
303.00458	1.2
418.07480	1.2
456.20392	1.4
550.85522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.8
59.01374	46.3
66.28934	2.1
71.01378	19.2
73.02939	8.2
85.02936	100.0
87.00866	26.2
89.02425	30.9
92.20007	3.6
101.02409	15.1
101.19298	2.0
111.00860	68.2
113.02396	15.9
119.03492	8.2
129.01949	9.4
134.57204	2.3
137.09703	2.6
161.04590	2.3
179.05589	8.9
202.69377	2.0
214.34062	1.9
217.64026	2.8
263.11502	2.4
293.04517	2.1
369.19193	8.1
499.22055	29.8
543.25031	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	543.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48067	0.5
54.80196	0.7
57.03462	0.6
59.01375	7.9
62.71848	0.6
63.11255	0.6
71.01371	3.5
80.08434	0.7
85.02927	9.3
86.44131	0.7
87.00845	2.7
87.85638	0.6
89.02439	2.8
90.06585	0.7
93.03432	3.1
97.19065	0.7
101.02416	1.4
104.34225	0.8
105.95776	0.7
109.31931	0.7
111.00858	7.9
124.53807	0.8
129.01923	1.1
148.51625	0.7
161.02460	1.5
175.03960	9.1
179.05737	0.9
189.01949	1.0
201.01927	8.3
202.22466	0.7
251.07167	8.9
253.04997	4.0
255.31721	0.8
277.04956	1.1
295.06113	100.0
369.18961	0.9
499.12387	0.9
499.21823	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	542.2093
Annotation	Zeatin-9-glucoside-O-glucoside
Peak:m/z	Relative Intensity
59.01377	11.6
66.92397	0.7
71.01373	21.3
73.02950	1.7
80.14596	0.9
85.02935	3.7
85.92663	0.9
88.04025	3.4
89.02434	13.6
91.49599	0.7
101.02441	12.3
113.02411	9.3
119.03461	4.9
129.51790	0.7
131.03490	1.8
140.88757	0.9
143.03548	1.2
146.08224	57.2
159.02888	1.0
161.04579	6.7
221.06609	5.1
263.11465	1.0
308.13699	8.6
362.14185	1.0
380.15900	1.3
483.31253	1.2
542.20941	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	542.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.7
67.57464	3.5
74.02482	21.9
77.30284	4.1
83.48566	3.4
84.64355	3.6
96.09425	4.0
99.05607	17.8
128.03528	60.2
134.06082	3.6
143.04601	100.0
146.04649	4.8
153.06625	5.3
160.00737	33.4
166.09729	4.6
179.04617	22.2
195.96590	4.1
210.08823	15.2
247.14395	17.4
272.08890	7.4
306.07645	83.1
342.14600	9.1
358.21313	5.1
485.37799	4.4
542.21698	56.8
542.30182	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	542.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53516	1.4
61.98826	100.0
62.89953	1.6
66.25611	1.5
67.47737	1.7
93.17711	1.4
139.74280	1.6
154.96664	1.6
345.20648	2.1
378.22931	1.8
479.26376	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	542.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
57.03449	2.7
58.98719	1.4
59.01378	2.0
63.70583	1.5
64.76275	1.7
73.02931	7.2
77.56694	2.0
83.01381	4.1
83.59943	1.7
87.53393	1.5
87.93973	1.7
89.02422	2.4
91.03989	7.8
101.02436	6.1
101.99153	1.6
110.28676	1.8
119.03500	2.3
121.38634	1.6
126.03267	1.9
150.38266	1.7
175.06061	16.5
176.60416	1.7
193.07193	14.5
279.20413	3.5
279.23303	84.0
437.28906	7.8
455.30136	100.0
483.29761	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	541.3018
Annotation	Simplexin F
Peak:m/z	Relative Intensity
59.01379	100.0
61.98792	2.2
71.01006	2.3
71.01360	19.5
73.02939	12.0
83.01379	2.8
85.02946	11.2
86.17097	1.4
87.00843	1.6
89.02440	2.1
92.19333	1.7
95.01393	1.7
95.99511	1.4
101.02426	18.5
110.21544	1.2
113.02413	11.8
125.02453	1.3
143.03607	1.6
159.02977	1.5
161.04482	2.8
285.14157	1.4
481.28149	20.6
499.29053	14.8
541.30615	29.5
554.92383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
71.01372	1.7
86.49574	1.3
87.00867	66.0
93.02882	3.0
93.03440	56.3
97.02941	7.2
98.03697	2.1
109.02970	2.0
120.99671	5.8
122.30033	1.5
124.68316	1.4
135.04526	40.2
137.02443	100.0
163.04021	2.2
172.41766	1.4
179.03508	10.1
207.02966	2.6
265.89108	1.7
300.14816	16.7
315.17239	14.8
526.19794	16.1
541.21906	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	30.2
60.56461	2.6
74.02467	4.1
74.95604	2.6
75.13871	3.3
80.36613	3.0
80.42100	2.9
87.00842	12.7
89.02415	3.3
93.18716	3.0
101.02415	4.1
133.05307	12.8
134.06125	36.1
153.06688	14.3
160.04030	5.5
181.09801	6.2
182.04509	7.7
187.69882	3.1
223.14490	12.9
241.05214	3.0
247.14487	53.0
273.12454	12.5
340.47818	3.3
342.14597	49.8
347.73550	3.3
352.92340	3.3
358.21289	4.3
384.19150	5.3
385.19980	6.9
410.19717	3.9
479.26749	4.7
497.27914	16.5
505.25134	4.2
541.26514	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	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23807	2.4
59.01373	15.1
71.01398	3.3
81.72865	2.1
84.45222	2.1
89.02392	3.1
96.95938	2.5
101.02435	4.4
119.99043	2.6
123.08165	27.5
125.09714	20.2
143.18610	2.3
150.46764	2.4
151.07628	27.6
155.10767	36.3
165.05571	3.2
168.65686	2.3
169.08690	19.0
169.28000	2.9
170.69380	2.6
171.10257	19.9
199.09737	11.9
213.07687	100.0
217.10793	71.0
233.15332	2.6
259.11725	9.8
277.33099	2.6
362.93353	2.7
541.21436	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.6
71.01364	12.1
71.04888	0.9
73.02936	4.1
82.95408	1.4
83.01367	3.7
85.02937	7.8
87.00858	1.2
89.02416	4.3
90.75191	0.8
99.04459	0.9
100.17782	0.8
101.02441	11.9
113.02421	9.5
159.03004	1.3
161.04512	4.4
175.07628	100.0
221.83113	1.0
282.18219	0.9
425.60556	1.0
499.18335	12.7
541.19183	33.7
541.25940	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	541.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40948	1.7
55.07105	1.5
59.01122	3.0
59.01381	43.6
63.44511	1.5
71.01378	46.3
73.02927	16.5
74.96400	1.7
76.86173	1.7
80.68635	1.7
80.69215	1.7
83.01383	3.2
85.02943	10.5
87.00858	7.9
89.02437	43.0
96.95994	12.4
99.00839	2.2
101.02431	52.8
113.02437	34.9
119.03493	17.0
131.03482	20.6
131.07130	3.0
143.03479	4.1
159.03015	2.7
161.04570	26.4
179.05580	11.3
189.07668	2.3
217.18086	1.8
221.06650	22.2
263.07770	2.0
293.12289	2.6
309.14581	2.0
320.58963	1.9
368.68994	2.3
497.18805	100.0
541.21704	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	541.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20295	1.2
53.70628	1.4
55.03000	1.6
58.04092	6.4
59.37900	1.4
63.99818	1.2
71.01363	9.7
76.21785	1.3
81.53018	1.4
83.95984	1.5
87.00882	2.1
97.02944	9.3
110.08863	1.5
122.26635	1.5
125.06068	22.4
142.06210	1.8
142.15898	1.3
147.09256	2.4
149.06122	2.6
159.84680	1.5
162.17380	1.6
164.11906	2.0
166.08673	9.6
169.05049	3.5
191.52280	1.6
208.08963	2.4
208.10910	60.4
252.09892	100.0
288.07541	21.9
288.98584	1.5
416.47418	1.7
522.67987	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60564	1.0
59.01385	24.0
71.01371	26.2
73.02931	14.0
75.41972	1.2
77.13699	1.2
85.02930	5.9
87.00862	5.0
89.02426	16.4
95.01344	1.1
99.00874	2.5
101.02425	28.6
104.35864	1.4
113.02458	14.0
113.06081	5.9
119.03477	7.2
131.03497	10.5
131.07114	6.4
143.03532	1.5
156.59126	1.4
161.04561	17.2
179.05650	1.2
185.68834	1.2
221.06609	9.1
275.11508	2.3
293.12427	8.0
335.13425	2.7
404.10754	1.2
425.91302	1.3
455.17459	2.1
497.18802	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	541.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.8
71.01358	1.7
73.02951	1.9
74.00230	1.0
74.35783	1.1
77.90824	1.1
81.61694	1.3
85.02937	1.2
92.19245	1.7
97.18296	1.3
99.92560	5.3
102.13504	1.2
116.92845	100.0
117.01894	2.1
145.23511	1.2
150.25066	1.3
312.78522	1.4
334.09714	1.4
390.15393	1.3
409.23288	1.5
450.49249	1.3
541.25964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.6
66.72727	0.7
67.09622	0.6
71.83774	0.8
90.19279	0.8
95.11951	0.7
96.06737	0.7
120.99629	100.0
167.07051	0.9
204.64540	0.7
208.98825	0.7
243.78137	0.7
253.05598	0.7
255.76440	0.7
275.21359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25429	0.4
52.92609	0.4
53.75585	0.4
53.99925	0.4
59.01372	11.4
59.83389	0.5
76.42205	0.5
78.95890	7.6
85.32912	0.5
148.59541	0.5
152.99599	1.2
168.04292	2.7
173.34494	0.5
224.06868	6.6
232.25082	0.6
241.21721	100.0
242.08070	0.8
291.38690	0.5
314.98880	0.5
466.29404	59.1
472.03812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34256	1.1
55.82622	1.2
59.01373	8.2
62.88162	1.2
64.08272	1.5
64.82052	1.4
70.84180	1.4
71.01354	1.8
75.25858	1.5
82.06599	2.8
92.19419	2.8
93.03436	35.7
116.92838	1.5
124.99505	1.6
130.08716	100.0
132.14868	1.4
137.02431	61.7
143.11867	17.1
146.06082	5.7
170.08167	2.8
211.13332	2.3
212.13757	1.9
214.12364	49.0
222.76016	1.3
228.52420	1.5
257.12677	1.6
281.97568	1.7
287.35010	1.7
358.24893	7.1
402.23969	50.7
480.26370	2.2
540.27490	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31855	1.9
53.33035	2.1
53.87411	2.1
55.48940	2.3
58.02977	4.2
59.01379	2.1
68.55587	2.0
70.02981	3.2
74.02466	12.9
80.80688	2.2
85.02949	4.1
91.05478	3.7
92.19879	3.2
94.27514	2.2
113.02454	3.6
115.31476	2.3
120.01231	100.0
134.06133	5.2
147.04501	9.0
164.07158	51.9
201.10335	3.2
203.08313	21.7
206.08231	45.6
215.25076	2.5
217.97810	2.4
245.09329	30.7
250.07120	4.7
372.86856	2.9
540.17029	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	539.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.8
63.80788	2.7
78.95911	4.1
79.97585	2.3
83.01378	4.3
89.02409	3.0
110.66997	2.2
115.89786	2.6
158.44389	2.6
160.74088	2.5
162.34894	2.4
200.05659	4.2
218.06598	2.8
250.58878	2.5
253.09171	4.0
270.81326	2.5
279.20380	4.9
279.23300	100.0
303.23331	38.2
437.29080	5.3
467.44934	2.7
480.29697	95.2
531.88672	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	540.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20072	2.8
58.02966	13.3
58.30707	2.7
59.01366	3.8
70.02960	5.8
71.01362	5.0
73.19850	3.1
74.02473	25.1
75.00872	6.6
80.12186	2.8
85.02922	3.9
89.49834	3.5
91.05512	6.0
95.57176	3.0
98.02455	4.3
106.46719	3.0
112.38698	3.3
113.02399	12.4
115.00360	3.4
116.03521	13.8
116.04975	3.4
118.54293	2.8
134.06114	4.9
135.04550	4.8
137.29330	3.2
147.04500	25.0
161.72360	3.0
164.07162	87.9
166.23070	3.0
174.01784	3.4
200.79504	3.3
201.10126	4.5
203.08211	39.4
206.08195	100.0
245.09308	57.8
250.07147	13.3
540.16803	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	539.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47626	4.4
61.30661	4.4
76.37900	5.4
78.95879	5.7
90.86510	5.9
101.86286	5.9
109.09867	5.4
279.23257	100.0
293.51697	5.4
325.18552	5.9
424.04425	5.6
460.67392	5.5
474.82220	6.0
480.29749	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98567	0.6
51.42583	0.8
52.64584	0.8
57.03445	0.9
59.01377	15.5
71.01369	3.6
73.02936	1.8
77.59843	0.9
81.03479	1.2
83.05009	11.8
85.02964	1.2
87.00828	3.0
89.02460	1.1
101.02436	3.7
101.48226	0.8
109.06635	0.9
113.02423	3.3
126.05585	4.5
164.68839	0.7
168.13860	0.9
170.11855	74.2
178.26874	0.8
183.10287	0.9
192.17580	1.4
196.09779	7.4
211.02589	0.8
211.13426	5.0
214.10796	6.7
218.15524	5.7
236.16547	23.8
280.15585	5.3
426.69839	0.9
479.26398	1.4
539.26288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09464	2.2
59.01377	7.9
65.33917	1.8
70.31628	2.1
71.01388	2.2
78.95918	2.5
89.02426	4.1
91.41633	2.2
104.66711	2.0
113.02454	3.1
170.15869	2.2
191.58168	2.1
214.17076	2.1
216.00510	2.0
253.09210	13.3
254.76880	2.3
303.23282	100.0
457.73441	2.4
476.59030	2.0
531.94867	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	539.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15011	2.7
55.71024	2.6
59.01376	37.2
64.91804	2.6
71.01382	23.7
72.99297	34.4
73.02934	12.4
73.76567	2.9
75.13868	2.9
78.78197	3.0
79.17285	3.1
79.33004	2.9
83.01383	5.1
85.02930	20.9
87.00872	4.7
88.98791	7.8
89.02455	4.1
101.02429	22.0
113.02412	13.6
115.07637	4.1
133.02942	13.4
149.02419	17.2
150.03212	46.7
164.04782	8.1
165.05551	56.0
170.09703	3.1
181.08749	6.8
195.06668	7.1
204.27350	4.1
314.11554	11.9
329.13919	23.5
343.14087	3.9
377.18207	4.5
474.55508	3.2
491.19287	81.2
495.17291	3.9
539.21564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10064	0.6
59.01373	4.4
71.01373	4.7
73.02927	0.8
85.02950	3.2
85.06583	3.3
87.00839	0.9
88.73244	0.8
89.02429	4.3
97.06578	1.6
101.02428	4.2
113.02408	1.7
119.03473	1.0
125.09692	1.2
129.05566	100.0
137.25337	0.7
153.09167	1.4
161.04536	1.1
215.09201	1.5
229.42398	0.9
231.26009	0.8
245.32802	0.8
253.15495	0.8
409.16940	1.9
539.19543	14.5
539.27179	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	539.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15011	2.7
55.71024	2.6
59.01376	37.2
64.91804	2.6
71.01382	23.7
72.99297	34.4
73.02934	12.4
73.76567	2.9
75.13868	2.9
78.78197	3.0
79.17285	3.1
79.33004	2.9
83.01383	5.1
85.02930	20.9
87.00872	4.7
88.98791	7.8
89.02455	4.1
101.02429	22.0
113.02412	13.6
115.07637	4.1
133.02942	13.4
149.02419	17.2
150.03212	46.7
164.04782	8.1
165.05551	56.0
170.09703	3.1
181.08749	6.8
195.06668	7.1
204.27350	4.1
314.11554	11.9
329.13919	23.5
343.14087	3.9
377.18207	4.5
474.55508	3.2
491.19287	81.2
495.17291	3.9
539.21564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1984
Annotation	Romidepsin
Peak:m/z	Relative Intensity
57.03432	6.2
59.01361	6.5
59.30044	1.3
65.94084	1.4
67.61514	1.2
73.02934	2.4
83.54153	1.2
84.95020	1.2
85.02912	1.5
87.00876	10.3
89.02422	5.8
96.96001	1.1
101.02422	5.1
111.08147	1.6
117.80922	1.5
125.06039	1.7
125.09699	10.9
127.07624	1.6
144.75977	1.4
151.07570	1.6
153.09161	9.9
169.08687	4.9
171.10255	40.4
197.08208	7.8
215.09259	51.1
257.10284	18.6
317.12289	2.4
329.13812	2.5
513.38129	1.4
539.19769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04107	0.9
55.47363	0.8
57.03443	2.3
59.01376	9.4
62.02010	0.8
63.42801	0.8
68.96936	1.1
70.99593	0.8
71.01370	6.1
72.10418	0.8
73.02943	13.1
82.39684	0.9
83.63110	0.9
85.02921	2.1
87.00861	4.9
89.02439	11.2
92.82224	0.9
96.95990	8.4
97.05988	1.4
97.06578	34.9
101.02417	7.2
104.64215	1.0
113.02398	3.8
119.03493	4.3
123.04511	6.6
125.09681	7.0
127.07584	1.1
131.03461	1.8
135.04527	1.3
141.05591	17.6
143.03519	1.0
153.09186	15.6
155.41927	0.9
156.07907	1.0
158.56076	1.2
161.04572	1.6
171.10277	27.9
197.08131	5.6
208.15390	1.0
215.09225	29.7
237.20480	1.2
311.33566	1.1
317.17740	1.1
341.10443	1.1
375.15839	1.0
539.19830	100.0
539.26843	4.3
552.72260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71277	1.5
54.97318	1.8
58.31800	1.8
59.01377	9.1
63.20720	1.6
72.67087	2.2
82.13026	2.0
85.02940	2.2
85.58809	1.8
89.02416	7.9
92.19874	2.5
93.03458	4.2
97.58313	1.8
101.02428	4.6
101.58014	2.2
111.00861	2.7
119.03479	3.1
125.09718	23.3
135.04466	21.3
135.08057	2.6
138.03191	14.5
139.00359	33.1
143.39949	2.2
153.01907	8.3
153.05592	15.1
153.09212	29.6
161.02428	8.0
166.02690	8.8
171.10251	32.6
179.03487	30.7
180.04257	2.6
193.05115	4.4
197.08160	12.4
211.07584	2.8
215.09213	25.0
273.07544	3.2
316.05710	2.5
317.06577	9.6
331.08051	15.0
332.09070	31.7
346.10529	7.5
347.11380	38.6
377.08640	5.3
377.12491	50.0
384.99420	2.1
406.54739	2.2
437.87311	2.2
479.11954	3.3
508.94836	2.6
509.16443	8.5
539.19897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70222	0.5
52.71197	0.6
71.88296	0.6
80.85362	0.5
89.02403	0.8
108.02164	15.8
123.04510	15.3
126.85155	0.7
150.10477	0.6
152.01137	53.4
166.02676	0.9
167.03482	100.0
197.57385	0.7
329.20358	0.6
539.17676	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	539.1771
Annotation	8-Feruloylharpagide
Peak:m/z	Relative Intensity
59.01375	0.8
62.57680	0.7
63.31895	0.8
82.60396	0.8
90.56065	0.9
113.11800	0.8
122.03716	9.2
134.03754	3.5
135.04541	1.5
136.01646	6.6
136.05360	1.2
137.02431	3.9
151.03992	1.4
152.04785	6.1
154.99689	0.9
165.05540	1.6
166.02702	14.9
178.02751	15.4
179.03488	13.4
180.04239	4.5
181.01396	3.9
193.05026	4.4
195.03006	4.0
196.03751	14.4
198.01678	5.0
210.05363	3.4
212.03177	1.3
228.02710	4.4
242.04366	1.4
285.07721	4.5
288.10025	1.4
300.10110	7.3
303.12323	3.5
315.08810	1.1
315.12500	1.2
332.09052	1.9
344.09015	6.0
347.11298	9.6
359.11499	8.9
377.12408	100.0
513.08234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92606	0.5
84.48625	0.5
92.19976	0.6
108.02147	6.1
123.04509	12.1
139.45674	0.6
142.50601	0.5
149.09325	0.5
152.01141	23.5
166.02672	3.2
167.03485	100.0
181.05061	6.4
194.02245	0.6
195.93118	0.5
199.58061	0.5
209.04547	4.2
217.53873	0.6
252.03143	0.6
282.49759	0.5
327.26923	0.7
377.12445	27.2
539.17633	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	539.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07123	0.6
59.01359	0.8
85.61607	0.7
89.69166	0.7
92.19285	0.9
98.51958	0.8
106.31122	0.6
108.06402	0.9
116.78376	0.8
123.00851	0.8
135.04588	1.2
138.03177	5.7
153.05563	11.8
166.99763	1.3
182.02209	42.3
196.03720	3.8
197.04553	100.0
211.06107	4.7
224.03198	0.8
239.05635	3.8
249.06044	0.7
266.72852	0.7
377.12152	9.9
509.07849	1.0
529.72479	0.9
539.17749	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38411	3.3
57.48280	3.7
59.01377	25.3
63.27719	4.0
66.26492	3.3
70.31739	4.1
71.01387	4.5
78.40600	4.0
85.02935	7.2
92.20037	9.4
93.03458	5.5
101.02410	6.9
119.03448	6.1
125.02371	4.8
125.09729	31.5
135.04506	50.2
137.02440	9.9
138.03194	30.0
139.00366	56.7
153.01900	20.2
153.05553	18.4
153.09186	10.7
161.02412	26.4
166.02672	29.5
171.10222	58.1
177.01974	8.3
179.03461	64.6
193.05089	6.3
197.08235	9.0
211.07732	6.3
215.09273	36.1
252.22025	4.8
255.06583	5.4
258.09299	4.8
273.07697	16.4
317.06601	37.8
331.08188	34.0
332.09055	58.1
346.10632	10.2
347.11325	71.0
377.08621	11.4
377.12531	100.0
471.03741	4.6
477.72855	4.8
479.11722	6.4
509.16611	9.4
539.19739	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.0
59.34108	0.6
60.54082	0.7
61.98806	0.9
62.37762	0.7
71.01385	5.6
71.01694	0.7
71.90138	0.7
72.99290	1.7
73.02932	2.6
75.00863	4.7
85.02930	4.6
87.00888	1.2
89.02414	1.2
89.04710	0.8
93.85693	0.7
94.81341	0.7
95.01374	0.7
99.00864	6.1
101.02421	4.6
113.02425	7.6
115.00395	0.9
115.07628	100.0
126.76318	0.7
135.04533	0.9
137.02548	0.9
166.00740	0.7
179.03555	0.9
201.04132	0.8
313.38263	0.8
319.06528	1.1
379.08792	1.7
435.25842	0.8
436.86542	0.7
495.17160	38.4
496.18509	0.9
539.14264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29459	2.7
56.20765	2.9
59.01365	6.6
64.24382	2.8
67.55988	3.7
82.65231	2.9
83.01379	3.3
93.88181	2.7
102.74543	3.0
119.24165	3.0
123.08110	18.4
125.09665	15.6
130.29532	3.6
148.94231	3.5
151.07619	21.9
165.05574	5.2
169.08681	7.1
175.47203	3.5
200.71117	2.9
213.05852	5.1
213.07700	100.0
355.25821	3.5
491.19485	4.5
539.21368	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	539.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.0
59.34108	0.6
60.54082	0.7
61.98806	0.9
62.37762	0.7
71.01385	5.6
71.01694	0.7
71.90138	0.7
72.99290	1.7
73.02932	2.6
75.00863	4.7
85.02930	4.6
87.00888	1.2
89.02414	1.2
89.04710	0.8
93.85693	0.7
94.81341	0.7
95.01374	0.7
99.00864	6.1
101.02421	4.6
113.02425	7.6
115.00395	0.9
115.07628	100.0
126.76318	0.7
135.04533	0.9
137.02548	0.9
166.00740	0.7
179.03555	0.9
201.04132	0.8
313.38263	0.8
319.06528	1.1
379.08792	1.7
435.25842	0.8
436.86542	0.7
495.17160	38.4
496.18509	0.9
539.14264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35217	1.8
59.01358	2.4
71.01363	1.8
73.02934	2.7
75.60191	1.8
76.65888	1.8
96.95984	2.4
105.12070	1.8
107.05013	9.9
113.02407	4.3
133.06575	8.7
135.04524	2.7
149.06024	20.0
162.68457	1.8
170.19368	2.0
177.05566	33.0
179.03481	47.9
185.91205	1.8
194.54031	2.0
195.06714	1.9
239.05600	100.0
243.06633	2.4
278.50061	1.8
539.20026	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	539.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51410	1.2
55.77697	1.3
59.01383	3.0
73.01136	1.1
73.02927	3.0
75.00856	4.8
83.46629	1.3
90.07639	1.2
91.83278	1.3
99.00840	3.0
99.92559	2.0
116.92838	100.0
117.01960	9.5
265.30615	1.5
493.23035	2.5
559.83929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	5.6
86.92204	2.9
94.85292	2.4
95.70641	2.4
102.98117	2.8
113.56189	2.7
129.27202	2.7
168.04344	2.9
185.96703	3.1
241.50925	2.7
255.23282	100.0
340.69324	2.6
454.09900	3.4
480.30847	68.0
537.33057	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	539.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33112	3.0
68.64501	2.9
74.09769	2.4
96.96966	2.7
101.02444	2.6
106.15887	2.8
135.04510	25.4
154.74242	3.1
161.02440	100.0
161.04491	3.3
179.03470	98.0
323.07794	4.8
341.08777	64.0
379.14557	3.0
503.14102	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
77.23664	1.5
92.19956	1.7
96.95994	2.6
104.14622	1.6
108.43964	1.7
135.04520	26.0
155.27039	1.5
161.02429	100.0
179.03494	99.3
179.04820	1.7
179.05211	1.9
273.47995	1.7
341.08810	66.1
389.89624	1.6
503.14090	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09689	0.7
85.69795	0.7
117.33232	0.9
119.36492	0.8
134.03729	48.9
137.02457	1.4
141.21306	0.8
149.06067	30.6
175.03888	2.9
178.02701	48.5
193.05057	100.0
432.02954	0.9
502.43716	1.1
537.30737	51.5
559.74176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49825	11.3
54.79691	10.7
58.69840	10.4
59.01374	49.3
64.40276	10.3
77.17921	11.3
89.64639	13.1
143.71996	11.9
159.16583	11.3
175.03911	15.6
195.75742	13.4
196.33995	10.9
196.82446	12.6
232.40012	12.9
314.74509	14.8
388.22549	17.1
403.24759	84.8
427.24890	25.2
454.94989	11.7
519.29492	27.5
537.30566	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	537.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82614	2.1
59.01376	50.4
91.03983	3.4
133.02914	5.5
134.03740	5.2
148.05296	4.8
160.01605	3.1
161.02481	4.1
175.03961	31.4
178.02695	3.8
193.05238	2.9
207.74278	2.7
226.37112	2.9
287.22299	3.3
317.17346	3.0
359.22021	3.4
386.24445	20.9
388.22409	25.7
389.23331	6.0
401.27075	10.1
403.24860	50.6
405.59177	2.6
413.23203	6.1
427.24814	23.5
463.27084	4.5
519.29486	28.5
537.30713	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	537.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32016	0.7
53.66803	0.9
60.71142	0.9
61.13153	0.8
94.84445	0.9
117.03390	1.1
121.02953	0.9
128.93332	0.9
134.03717	50.2
137.02431	1.1
149.06056	28.1
160.01642	0.8
178.02695	45.8
193.05052	100.0
209.54253	0.9
357.12595	0.9
537.30682	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	537.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07732	3.3
59.01377	100.0
71.01374	27.7
73.02929	36.2
73.11520	3.5
73.67682	4.0
75.32796	3.5
83.01357	5.5
85.02917	7.5
85.72211	3.4
101.02423	31.6
112.98557	13.4
113.02409	17.7
130.28189	3.5
130.93922	4.1
170.68079	4.5
368.87729	4.0
385.22418	8.2
427.84537	4.6
433.28009	18.7
451.28720	5.2
493.30231	5.8
537.18060	5.6
537.26648	20.5
550.87793	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	537.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65743	10.1
57.68293	9.0
59.01377	74.3
59.71924	11.8
62.24889	11.1
62.93987	9.5
64.06453	11.3
99.20656	10.9
109.06620	10.0
109.63206	9.9
135.74132	10.9
151.38423	11.5
161.54802	10.0
164.52069	12.0
175.03946	48.3
178.02722	12.5
189.99722	10.3
195.33725	10.6
235.63675	9.7
255.36971	9.4
296.44131	11.9
301.57626	11.4
347.62064	11.4
386.24677	26.4
388.22610	23.9
403.24911	96.3
403.30087	14.8
427.24854	21.4
519.29498	23.1
537.30920	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	537.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83676	1.7
56.69624	1.8
59.01378	100.0
63.69562	2.0
70.46955	2.2
71.01369	29.2
73.00306	1.8
73.02940	13.8
83.01387	7.7
85.02919	17.1
87.00858	2.6
89.02425	13.2
98.66445	2.1
99.00881	3.2
99.85259	2.4
101.02436	24.7
105.30998	1.8
105.79136	2.0
106.58828	2.1
113.02433	22.3
114.99029	1.9
159.03015	2.6
161.04478	4.7
199.16991	3.1
222.21025	2.0
260.97888	2.3
275.16611	4.0
289.23770	2.5
303.19769	3.2
315.16507	2.8
315.19653	22.5
333.20691	12.4
433.28101	48.6
451.29141	12.6
477.24255	10.6
493.30081	24.0
495.25961	10.2
537.26080	43.7
537.32953	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	537.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.92284	0.9
64.16032	0.9
71.01379	13.9
73.02946	10.3
77.49780	0.9
83.01399	2.1
83.67184	0.9
85.02953	9.1
85.26151	1.0
89.02451	1.1
95.01364	1.6
101.02431	15.5
102.98527	1.0
113.02422	6.6
113.92381	1.1
116.92691	1.1
121.32899	1.0
143.03566	1.2
145.31506	0.9
158.26158	1.0
161.04605	1.3
177.59813	1.2
225.82629	1.1
247.04900	1.1
284.17902	1.0
285.18521	1.3
287.20175	1.0
287.42935	1.2
315.19724	17.1
333.20706	6.9
361.22266	1.8
385.22385	13.2
403.23383	5.5
427.23291	10.7
445.24661	9.2
459.23999	16.2
463.25711	1.5
476.20377	6.4
477.24954	6.9
518.89948	1.2
519.26056	1.9
537.26831	12.4
537.33752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2715
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
57.57637	1.2
59.01377	100.0
61.98811	5.6
65.39869	1.4
71.01043	1.6
71.01373	34.3
71.41597	1.2
72.99303	1.4
73.02937	76.0
83.01376	17.6
85.02952	13.2
89.02395	10.0
95.01305	2.2
97.02895	1.7
99.00831	1.6
101.01800	2.2
101.02428	56.8
113.02447	19.5
116.92796	2.0
124.09646	1.4
125.02412	2.3
127.04076	1.4
131.03391	1.5
143.03432	1.7
161.04488	7.7
169.12215	1.9
273.18494	7.3
285.18524	2.4
303.19537	8.6
315.16086	2.6
315.19559	2.9
333.20581	3.0
363.20337	1.8
462.51776	1.4
465.24652	3.0
477.24643	2.2
477.30634	3.4
493.25943	7.3
495.25974	2.8
537.26520	80.7
537.32837	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	537.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62384	0.8
59.01374	29.8
71.01372	2.5
73.02928	1.2
77.45957	1.1
85.02928	1.1
87.28054	1.0
89.02444	1.2
97.02930	13.7
98.03723	7.9
99.04510	1.9
101.02401	1.7
113.02438	2.0
132.85425	1.1
152.01117	1.6
152.87215	1.0
154.81116	1.0
167.03455	4.3
168.39912	1.1
197.60963	1.0
201.10332	4.5
203.11839	5.1
217.13458	14.3
226.64972	1.2
237.09123	1.5
241.13515	1.3
255.15057	1.2
256.15802	6.0
271.18173	9.1
285.11331	4.3
300.14780	61.0
301.15656	7.5
315.17160	100.0
329.18680	1.2
357.18256	6.2
375.19156	1.7
477.22543	13.1
478.73376	1.3
521.77722	1.1
537.16187	1.3
537.24329	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	537.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	33.2
59.12573	1.2
59.98531	1.8
61.11098	1.3
70.79646	1.3
71.01384	3.0
72.74237	1.2
73.02948	1.6
85.02941	1.6
89.02394	1.4
96.95988	1.2
97.02930	14.0
98.03712	8.9
99.04487	1.5
101.02435	2.6
113.02422	2.4
120.93478	1.4
123.08133	1.3
125.09712	1.9
135.04552	6.1
143.23265	1.3
151.07639	1.9
169.08704	2.0
174.05664	1.2
179.03494	6.5
189.68210	1.4
201.10303	1.6
203.11882	4.8
217.13438	13.7
256.15707	2.9
261.17908	1.3
271.18188	8.1
300.14804	52.0
301.15549	7.2
315.17169	100.0
329.18732	2.3
357.18121	5.0
477.22263	9.3
537.17871	15.1
537.25482	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	537.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90446	1.0
59.01124	1.2
59.01379	19.1
70.47496	1.0
71.01366	8.1
73.02932	5.1
74.31358	1.0
81.03436	2.4
82.02978	1.5
85.02927	4.3
89.02426	4.5
91.07830	1.0
95.01366	1.2
101.02419	8.4
113.02421	5.4
125.02382	1.2
126.05568	1.2
152.10786	4.5
153.09177	2.4
161.04526	1.5
170.11850	100.0
178.12424	1.6
180.10283	2.1
190.16045	2.5
192.13983	2.3
196.09787	10.3
209.60030	1.0
214.10860	22.8
216.13951	1.8
221.06583	1.0
232.13435	2.4
234.14958	30.0
254.91687	1.0
260.12918	2.1
278.14044	2.0
293.48248	1.1
388.07385	1.2
433.27838	2.0
451.21893	1.7
493.22888	2.6
519.15698	1.1
537.24518	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	2.1
61.98841	2.1
76.57245	1.7
87.00862	100.0
93.03449	11.7
109.02903	2.1
111.04495	12.9
121.02917	3.0
129.10339	3.0
137.02438	21.6
155.03476	2.4
162.54167	2.0
243.05081	78.9
249.12494	4.0
251.11453	2.1
251.14011	53.1
276.13538	48.3
293.16211	76.6
306.19791	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	537.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04715	8.1
58.52256	8.9
59.01385	100.0
60.25743	7.9
71.01353	73.4
72.86664	9.0
73.02918	35.7
85.02951	41.6
89.02438	65.7
101.02423	70.7
102.57671	9.1
103.42416	9.3
112.30962	8.9
113.02441	45.6
119.31651	10.1
125.29838	13.4
126.71994	8.9
154.08115	8.4
181.31065	10.4
181.96901	10.4
227.59888	9.3
433.28168	17.0
451.21698	16.4
477.23386	22.8
493.23276	86.5
537.32678	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	537.221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68743	4.1
53.02654	4.9
54.39255	4.5
59.01372	42.7
61.69171	4.6
62.99052	4.3
71.01373	48.3
73.02924	19.3
85.02946	22.9
89.02445	8.4
95.33515	5.1
101.02464	41.2
104.33406	5.2
113.02440	11.3
119.58772	5.2
134.89557	6.0
151.04004	8.7
152.99507	6.3
161.04523	6.9
186.05580	8.8
206.03476	5.2
208.98793	5.6
218.77240	6.2
228.53638	6.0
315.19958	17.1
326.18683	9.5
351.34970	5.4
365.74292	5.7
420.69247	5.5
453.17157	6.0
487.23627	20.4
493.22845	60.6
501.25089	100.0
507.19986	9.9
521.19391	6.1
537.20972	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.8
60.57764	1.8
65.47668	1.8
71.01370	16.4
72.99301	10.6
73.02945	4.1
79.45336	2.1
85.02926	5.3
89.02432	9.2
95.01326	2.4
101.02429	21.7
113.02422	11.3
119.03472	3.3
131.03458	2.8
137.69514	2.4
161.04572	2.5
195.10208	2.5
213.11299	3.2
224.06024	2.2
301.07251	4.6
357.15714	3.6
374.11121	2.4
375.16766	15.0
424.70712	2.5
437.75931	2.4
449.40207	2.7
517.69879	2.1
537.21851	100.0
546.99091	2.5
560.06580	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	537.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11692	3.0
55.30945	3.0
59.01369	17.4
73.02943	8.5
85.02946	4.0
101.02459	4.5
134.06197	4.5
147.04454	8.0
159.04518	5.2
160.05283	18.1
161.06015	9.7
173.06059	4.6
175.07649	19.3
177.05608	4.2
178.06293	8.4
185.24730	4.1
186.80475	3.9
192.07890	16.1
247.14438	26.0
267.06644	24.1
269.08121	30.5
281.08163	52.7
282.08954	17.1
315.19250	5.8
444.16376	6.9
477.19275	40.8
489.19339	100.0
499.32861	33.5
501.33441	5.2
507.20132	24.3
519.20441	29.6
537.27960	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	537.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04699	0.8
59.01376	26.1
71.01372	23.2
72.99300	9.0
73.02937	7.4
83.01387	2.1
85.02957	7.8
87.00851	6.3
89.02429	17.6
95.01324	1.3
96.96024	1.2
97.74719	1.0
99.00864	2.0
101.02431	25.9
113.02428	17.2
119.03476	5.9
131.03459	12.0
133.10202	5.9
136.01566	1.3
143.03514	1.5
150.03276	1.3
151.03998	5.9
155.10791	1.3
159.02948	4.5
160.05376	1.2
161.04532	18.6
163.63629	1.1
165.05544	2.0
177.09200	46.6
179.05588	1.9
195.10281	5.7
195.89497	1.1
197.11829	4.2
216.00638	1.4
221.06686	7.8
275.09827	1.1
327.12433	5.8
389.54730	1.3
452.63177	1.2
537.21857	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	537.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05374	2.4
59.01382	61.0
71.01376	41.9
72.99287	3.6
82.48150	3.0
85.02946	15.2
89.02433	42.4
91.19236	3.1
96.95996	100.0
96.96928	4.1
101.02441	33.5
106.67198	3.2
113.02408	25.3
119.03484	17.8
129.95526	3.2
136.01662	22.4
149.02501	4.7
150.03204	34.9
151.04024	41.6
153.01878	4.5
161.04541	4.7
164.04799	15.4
165.05547	57.8
179.05605	12.5
184.38229	3.9
195.06664	6.4
279.06531	3.2
312.09995	21.9
327.12485	51.7
375.10568	5.4
382.23819	3.7
474.18494	4.4
537.19928	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1988
Annotation	Tanegoside
Peak:m/z	Relative Intensity
57.89091	1.1
59.01371	2.8
65.29908	1.1
75.00851	1.3
77.14306	1.1
85.62276	1.1
89.02414	2.2
92.19418	2.0
93.23754	1.2
101.02365	1.7
102.74167	1.2
103.49750	1.3
109.02943	1.3
113.02419	2.0
115.52065	1.1
125.09753	1.3
136.01627	8.0
138.54807	1.2
151.04004	18.5
157.65161	1.1
160.05215	1.3
167.54720	1.1
169.08624	2.0
175.03951	2.0
189.05577	1.7
190.06380	5.5
191.07120	9.6
209.68604	1.2
267.06622	10.8
279.06528	4.6
282.08966	51.7
294.08987	7.0
297.08209	3.5
297.11295	100.0
312.09949	16.4
327.12436	36.8
345.13437	22.4
357.13434	4.7
375.14523	69.5
537.18353	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	537.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55485	2.2
59.01377	30.9
63.54365	2.3
71.01375	16.4
73.02932	20.2
83.01369	2.6
87.00848	2.9
89.02444	18.0
91.05522	18.5
96.95988	9.4
101.02435	23.3
113.02430	11.3
119.03461	9.3
123.08146	14.1
123.79655	2.3
125.09696	16.3
125.58496	2.7
134.06071	4.4
136.01648	5.3
136.04034	33.0
151.03990	32.1
151.07603	9.0
161.04533	3.2
163.03949	9.4
169.08670	3.7
190.06305	11.6
191.07191	5.6
205.08658	2.9
208.07275	2.7
267.06561	5.4
271.10889	4.0
279.06537	3.2
282.08966	45.1
294.08844	8.5
297.11310	100.0
312.10001	14.3
327.12292	41.1
336.80704	2.8
345.13437	17.6
357.13428	5.1
375.14496	76.6
537.18219	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80278	1.5
59.01378	69.1
62.78757	1.5
71.01360	3.2
78.99195	1.6
87.00854	2.0
88.75261	1.5
101.02457	2.2
113.02424	2.5
119.05006	7.1
151.07689	2.1
217.13327	3.0
223.25204	2.0
237.06778	2.3
237.09193	78.1
249.09181	38.1
285.11328	100.0
297.11325	39.0
310.19846	1.6
310.46729	1.6
315.12357	10.0
329.18610	2.0
341.39661	1.9
357.17996	2.1
393.24649	1.7
424.97366	1.8
537.19299	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	537.1981
Annotation	Tanegoside
Peak:m/z	Relative Intensity
51.75630	1.4
53.78831	1.1
58.47236	1.2
59.01370	8.2
63.89365	1.4
92.19949	2.1
121.02934	7.5
122.03742	2.3
123.04525	2.8
135.04491	3.1
146.59595	1.5
148.68649	1.3
149.06071	2.1
150.06850	3.3
162.06790	1.8
163.07727	1.5
164.04758	4.9
165.05579	3.4
179.07124	8.6
180.07909	6.4
220.07500	1.5
238.39095	1.4
259.09824	5.5
270.08774	2.3
271.09763	50.3
274.68130	1.6
283.09650	12.3
285.11218	3.4
293.76462	1.4
297.11264	2.6
298.12024	3.0
301.10883	17.8
313.10782	9.5
315.12189	2.1
325.04678	1.5
325.10837	8.7
343.11697	8.2
345.13550	5.9
357.13397	7.9
375.14532	100.0
515.77112	1.7
537.19641	13.6
563.22485	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82028	1.5
58.65513	1.6
59.01383	25.4
71.01369	12.3
84.48745	1.8
85.02905	2.7
89.02428	29.5
92.66899	1.7
101.02428	18.6
107.27929	1.7
113.02423	10.0
119.03493	8.7
120.13783	2.0
123.08144	20.6
125.09708	28.0
133.06526	3.8
136.01616	1.9
151.04012	6.0
151.07607	19.2
169.08673	10.0
185.49879	1.9
195.06619	2.3
195.41638	1.7
213.07663	3.5
297.11279	4.2
300.14716	7.1
315.17200	10.2
375.14355	3.1
537.18219	100.0
537.24573	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	537.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87935	1.2
59.01382	19.3
70.06379	1.1
71.01369	12.2
72.30143	1.3
73.02912	2.1
73.11040	1.1
83.01380	2.4
85.02950	5.2
87.00856	7.4
89.02425	20.0
92.19356	2.5
101.02422	15.3
113.02424	10.6
119.03473	10.7
119.04939	1.3
123.08127	17.9
125.09718	29.3
127.96725	1.4
133.06601	2.8
138.60548	1.4
143.03441	1.9
143.35959	1.3
151.03970	1.7
151.07631	17.0
158.63763	1.3
169.08731	9.5
179.05637	1.5
182.20891	1.4
195.06595	1.6
213.07692	6.0
256.14490	1.2
282.08722	1.4
297.11188	1.5
537.18225	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	537.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01377	16.0
71.01377	17.9
72.99284	4.7
73.02579	1.1
73.02921	8.4
75.00862	18.8
75.24542	0.9
85.02933	20.4
87.00857	6.0
89.02427	8.7
95.01357	2.5
96.95930	1.4
97.02901	2.1
99.00866	9.7
101.02423	8.3
103.00362	1.3
113.02427	35.9
113.94053	1.2
115.00349	2.1
117.01888	1.5
119.03468	1.5
125.06051	11.7
129.01910	1.7
131.03488	2.4
137.09688	2.2
173.04497	4.8
175.02385	1.5
193.03484	1.3
235.04620	6.1
361.15060	2.4
463.14417	2.4
537.18201	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	537.1825
Annotation	6'-O-alpha-D-glucopyranosylloganic acid
Peak:m/z	Relative Intensity
53.18847	1.5
59.01384	10.9
69.10206	1.5
71.01377	9.9
73.02946	3.6
78.54720	1.4
80.04755	1.4
81.07050	1.4
85.02943	1.9
87.00865	52.8
89.02415	14.2
92.19914	2.2
96.96007	3.0
96.99686	1.6
98.15047	1.3
101.02428	23.7
107.08676	1.7
113.02431	8.4
119.03509	3.1
125.06071	64.0
137.02437	2.2
143.03452	2.1
151.07608	5.8
151.64262	1.7
165.48251	1.4
297.11536	1.5
312.09879	1.9
323.09796	9.0
327.12274	2.8
330.11050	2.7
345.13538	2.4
449.16690	2.7
519.17365	2.2
537.18268	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	537.1825
Annotation	6'-O-alpha-D-glucopyranosylloganic acid
Peak:m/z	Relative Intensity
57.03434	6.7
59.01376	30.3
71.01365	27.1
73.02937	9.5
75.00845	1.9
85.02926	8.4
87.00861	8.9
89.02423	29.4
96.95995	22.0
101.02423	27.4
109.06544	2.1
113.02453	23.4
119.03452	11.8
123.08144	51.8
125.09704	12.2
131.03455	6.9
133.06566	7.7
143.03517	2.0
151.07623	20.8
161.04498	12.7
167.07114	1.6
169.08661	12.8
173.08037	2.4
179.05576	9.2
213.07660	9.7
221.06621	8.2
242.24522	1.7
251.12863	1.9
263.07773	7.0
265.28323	1.9
300.14688	2.6
315.17065	3.2
446.76578	2.1
477.22351	3.2
514.98383	2.2
533.12756	1.7
537.18231	100.0
537.25507	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	537.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75237	2.4
59.01368	19.9
66.16568	3.7
68.20647	3.8
71.01358	5.7
71.76408	2.9
73.02909	5.4
79.06731	2.6
82.80780	2.8
88.38255	2.9
89.24704	3.1
101.02460	4.3
105.96813	3.0
131.46895	3.2
134.06032	4.8
136.03989	7.5
140.10518	3.1
144.16399	3.1
146.30382	3.5
146.41548	3.4
149.04819	5.1
152.07132	15.2
161.73727	3.0
214.07510	15.4
215.14705	3.4
224.10887	5.0
226.07249	3.7
228.10524	4.0
237.06728	6.8
238.07487	41.5
242.06918	18.7
242.11955	5.6
243.11407	75.8
253.09795	52.4
254.10663	12.4
255.11440	15.6
256.08615	4.6
266.06931	11.6
267.11368	21.5
271.10883	100.0
285.12433	11.4
295.10931	21.4
313.11957	45.5
329.85562	3.1
357.12466	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	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28595	1.4
59.01365	1.6
83.46525	1.6
85.39217	1.7
85.61977	1.9
88.98779	8.3
105.44772	1.8
146.08047	1.6
185.16087	1.8
222.13222	1.8
253.05107	1.7
270.05249	3.3
271.06183	20.2
283.06116	7.6
285.07513	2.0
286.08478	21.1
297.03915	3.1
298.08337	3.6
300.09949	2.4
301.10690	2.9
310.04733	7.7
311.05627	45.1
312.06500	14.2
313.07391	2.0
315.05060	9.0
317.06717	1.9
325.07172	2.5
326.07898	18.4
327.05154	44.9
327.08704	4.4
329.06732	11.6
330.07413	40.0
342.07538	18.5
344.08899	5.6
345.09778	66.5
357.09802	100.0
375.10815	9.4
471.39795	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	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03738	1.4
50.28677	1.6
67.43881	1.5
69.26052	1.6
71.68479	1.7
85.14191	1.8
90.27515	1.8
97.29141	1.8
124.25639	2.0
140.70520	2.2
151.04062	2.8
207.26845	1.9
256.03839	2.4
265.93625	2.0
269.07852	2.3
270.05310	4.1
271.06238	15.9
276.50845	2.3
283.05978	4.0
285.07755	4.4
286.08395	14.0
297.04150	3.3
298.08429	7.2
300.09967	2.4
301.10791	3.2
302.65042	1.9
310.04883	7.3
311.05649	45.7
312.06348	11.8
313.07153	2.0
315.05045	17.1
325.06888	2.3
326.08005	16.6
327.05103	44.0
327.08890	3.5
329.06622	11.0
330.07550	33.7
342.07544	18.3
344.08963	8.7
345.09750	76.7
357.09799	100.0
375.10794	10.7
391.76855	2.2
429.78244	2.0
468.57495	2.4
537.15918	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	537.083
Annotation	Amentoflavone
Peak:m/z	Relative Intensity
53.51265	1.5
54.62195	1.2
61.89067	1.5
72.60023	1.5
76.53075	1.4
80.73033	1.5
88.27250	1.4
93.03412	2.3
111.76314	1.6
117.03453	7.8
159.04443	3.5
159.93178	1.6
267.95935	1.4
279.20267	1.5
331.06094	20.8
375.05115	100.0
399.05115	16.2
401.03094	1.7
417.06134	24.9
537.08356	80.2
537.26080	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.8
60.99308	12.2
67.03954	0.7
71.01363	0.8
72.61913	1.0
78.51600	0.9
87.75584	0.9
88.98793	100.0
89.02438	8.4
92.20060	2.0
101.02464	1.1
113.02410	1.2
121.80184	0.9
255.06642	1.2
267.06583	1.4
316.09766	0.9
368.48407	1.0
404.27884	0.9
508.78098	1.1
537.21967	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	537.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57764	6.3
59.01374	15.0
62.76215	5.8
71.01359	8.5
80.22720	7.0
84.31425	7.3
111.12663	7.8
123.04502	15.7
125.02441	10.8
137.02435	11.7
139.03958	8.2
154.28313	8.0
164.04765	11.2
167.03479	52.2
197.04463	10.2
198.96439	7.2
208.03720	33.7
209.04559	60.1
213.11263	17.3
223.06071	62.3
239.05653	28.7
251.05522	10.4
310.71735	8.0
315.08612	35.0
327.08844	29.2
345.09869	12.0
357.09857	94.7
387.11005	100.0
399.11612	7.6
417.11853	31.4
447.12881	69.0
466.83054	8.2
537.16254	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98399	1.9
59.01375	45.5
71.01364	23.5
73.02916	2.4
82.35219	1.9
85.02880	2.1
86.02446	7.7
89.02431	27.5
101.02414	15.5
102.71017	1.8
105.66869	2.2
107.98458	2.0
108.07198	2.1
113.02414	10.7
119.01706	3.8
119.03483	10.8
146.52040	1.8
152.21068	2.0
157.36479	2.1
183.00372	1.8
189.18436	1.7
191.52177	2.2
197.32993	1.9
197.92595	1.8
208.51956	2.0
219.37865	2.0
239.88443	1.9
261.62640	2.1
269.15744	2.9
314.11176	3.1
449.22351	4.4
459.65884	1.9
519.61530	2.0
536.19031	4.8
536.25446	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	536.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
61.34300	1.7
61.98827	100.0
66.86317	1.7
69.88821	1.8
119.05043	2.0
157.18657	2.1
207.18086	2.0
266.05814	48.5
267.03909	4.2
267.06631	89.4
287.84671	2.3
290.75577	2.1
344.17667	2.4
429.11963	20.8
473.10873	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67780	0.8
56.58639	0.8
59.01336	1.4
61.98813	5.2
66.70208	0.9
79.49180	0.8
80.05049	21.8
89.02412	1.2
114.12549	0.9
116.17287	0.9
124.04021	87.9
126.95811	0.9
168.03008	100.0
210.04016	1.5
221.34944	1.0
260.47064	1.0
294.32751	1.0
309.41623	0.9
356.96045	1.0
492.13687	10.9
536.12469	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	535.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
60.01710	0.9
61.98829	100.0
63.69458	0.8
71.26794	0.8
77.04816	0.7
79.20966	1.0
92.19990	0.9
141.92499	0.9
255.23337	1.3
256.23639	3.7
257.23880	1.1
270.30032	0.9
303.93225	1.0
539.47308	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	535.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
56.54557	1.0
59.01374	33.6
68.99574	1.7
71.01374	29.7
71.17053	1.0
72.99281	1.5
73.02913	6.1
81.27048	1.4
83.01384	4.2
85.02918	6.8
87.00848	1.6
89.02413	2.7
99.00862	4.8
101.02415	15.8
112.98560	5.9
113.02420	8.6
114.94855	6.1
125.02405	2.0
131.90013	1.3
155.23929	1.2
156.95941	2.2
161.04555	1.6
171.94608	4.9
172.95384	16.0
184.95416	5.4
186.96944	1.8
196.09538	1.7
200.94934	1.6
261.77444	1.3
313.23895	10.5
320.85916	1.4
331.24881	34.4
331.28592	2.3
345.09891	1.7
363.16696	1.4
403.10654	5.1
475.29398	13.9
491.22232	1.5
493.13361	1.3
493.23190	1.9
493.30127	36.1
517.19141	1.8
535.14996	43.8
535.24805	3.6
535.31268	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	535.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06592	0.8
53.53935	0.9
57.03420	0.9
59.01376	34.7
60.51517	1.1
71.01379	17.4
73.02943	9.2
83.01376	4.3
85.02935	7.2
87.00864	7.3
89.02430	4.6
95.01339	1.3
99.00844	1.8
101.02427	15.2
104.24339	1.2
113.02430	9.6
115.53812	1.1
116.92821	1.2
119.03456	1.8
125.02391	1.9
249.97726	1.1
295.22809	1.6
313.23917	11.1
331.18936	1.4
331.24878	42.5
373.26047	1.6
475.29349	14.5
491.24289	4.5
493.30151	43.7
535.24982	3.7
535.31317	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	535.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05540	2.4
59.01381	11.2
59.31843	2.6
67.67850	2.6
69.22945	2.7
71.01378	2.8
104.31078	2.6
124.07690	5.4
133.05325	3.3
134.06088	23.2
156.45705	2.6
157.13419	6.0
223.14583	3.9
230.11766	3.2
247.14552	61.4
247.17181	4.0
287.14044	6.2
331.24884	19.1
342.14539	19.8
346.37241	3.4
358.21545	3.6
385.20050	6.7
445.69736	2.9
475.28973	5.9
493.30319	18.6
499.32932	100.0
535.24756	3.1
535.31201	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	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25716	4.9
59.01377	88.9
65.99601	5.8
71.01376	10.7
73.02948	11.4
78.95873	6.6
79.16113	5.3
83.01429	6.3
85.02937	7.4
89.02400	7.9
89.53872	5.4
92.20012	12.6
101.02452	11.7
106.74704	5.4
123.97336	5.5
145.00470	5.7
199.62186	5.7
269.21317	7.3
349.69760	6.5
420.21033	6.6
449.27567	10.4
491.28622	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	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96989	2.7
59.01377	44.0
68.43280	2.7
71.01368	12.8
73.02944	7.0
73.85671	3.0
79.86279	3.2
85.02953	5.6
89.02418	2.8
99.48383	2.8
101.02424	14.3
102.71421	2.9
108.28431	3.2
112.57024	2.7
113.02428	6.6
139.80418	2.7
206.56599	2.6
225.82964	3.2
287.22287	38.3
387.03598	2.9
431.26578	15.3
449.27579	62.9
491.28680	100.0
535.24030	6.1
543.65521	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	535.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50743	0.5
55.98344	0.5
57.69271	0.6
57.83590	0.6
58.02972	0.9
59.01376	0.9
61.98826	16.3
78.10871	0.5
78.95891	0.7
83.83504	0.8
87.00851	0.9
94.86780	0.6
96.96008	10.1
96.96947	0.8
109.02954	1.4
121.02953	4.3
134.03700	1.0
135.04518	4.6
137.06055	0.9
140.65648	0.7
147.04613	0.7
148.05278	1.1
149.06055	1.0
161.02414	21.4
161.03636	1.1
163.03976	5.5
174.03188	5.9
175.03970	6.8
179.03488	11.0
181.80823	0.6
192.04231	0.9
228.17229	2.7
270.08719	0.7
285.11334	8.4
308.19827	44.1
311.09286	3.9
329.10269	1.3
341.08792	5.7
350.20853	26.2
373.12997	0.8
437.43179	0.8
472.24527	100.0
491.15573	4.2
494.99277	0.7
535.14478	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	535.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31437	2.7
56.70874	2.7
59.01080	5.4
59.01375	100.0
60.78555	2.5
61.98834	7.0
62.57198	3.5
64.86345	2.6
68.74043	2.9
71.01373	37.1
73.02938	81.7
81.75682	3.3
83.01377	19.4
85.02920	5.0
89.02412	13.2
92.19993	3.8
101.02428	55.2
113.02407	14.1
119.03501	5.0
138.05618	6.9
143.03384	3.5
148.04059	24.7
157.49159	3.5
161.04510	4.7
166.05074	49.9
266.14349	3.6
340.09479	6.7
355.11896	7.7
357.33353	3.4
388.29984	4.7
491.25110	26.2
534.29578	3.2
535.19086	17.5
535.25726	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	2.5
56.98880	2.1
57.03450	3.2
59.01377	100.0
64.19487	2.3
71.01367	65.8
73.02930	19.6
83.01382	9.2
85.02947	28.3
87.00860	3.0
89.02439	19.3
89.87775	2.4
91.38092	2.2
95.01372	5.4
99.00855	4.9
101.02425	62.9
113.02428	38.0
119.03503	4.9
121.02946	4.7
125.72195	2.5
147.04573	4.1
160.05309	2.2
161.04539	17.5
175.07599	2.5
178.06355	3.4
193.05103	3.3
267.06650	3.2
269.08185	14.6
281.08115	4.6
282.08801	3.2
283.09717	13.6
284.10495	5.9
296.10699	4.2
299.12860	4.8
311.09329	24.3
328.09067	8.3
329.14032	3.7
331.17523	3.4
340.09531	32.5
343.11896	65.0
355.11746	24.7
373.12854	25.8
373.18579	15.6
493.22775	34.7
535.17798	35.9
535.24683	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
57.03437	3.7
59.01379	81.3
68.66428	1.7
71.01373	58.9
71.01987	1.8
73.02938	24.0
83.01373	10.9
85.02939	28.7
87.00866	2.9
88.98776	3.4
89.02426	23.8
95.01358	6.6
97.02986	2.1
99.00877	10.0
100.75819	1.7
101.02432	55.6
104.80844	1.7
105.11333	1.6
111.00854	2.2
113.02419	37.0
119.03488	3.5
125.02379	2.2
131.03476	2.6
138.60651	1.6
139.60553	1.7
143.03500	3.4
148.05347	2.5
155.35530	2.0
161.04575	18.0
161.05798	2.3
179.05663	2.0
257.35480	1.9
282.70905	2.0
289.28104	2.4
329.13919	8.8
373.13150	2.7
373.18842	4.5
475.21753	3.1
493.23056	39.1
505.22745	2.8
535.24060	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	535.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03395	1.7
59.01379	76.3
61.57777	1.5
61.89751	1.6
62.68116	1.6
69.21023	1.7
71.01373	22.5
73.02933	14.4
83.01361	3.1
85.02930	11.4
85.17815	1.9
87.00861	3.0
89.02436	20.9
99.00928	2.0
101.02429	27.1
113.02423	11.5
119.03474	3.6
129.05515	2.4
131.03519	2.6
137.55820	2.0
147.03290	1.9
155.95116	1.7
155.96474	1.8
269.17563	2.3
374.31967	2.0
413.22015	2.6
431.22870	12.6
449.19186	7.7
449.24579	2.8
491.25226	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	535.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79893	1.5
54.46185	1.7
59.01379	36.8
71.01381	23.4
73.02932	11.9
83.01395	6.6
85.02943	11.1
89.02426	8.9
93.29906	1.8
101.02428	27.6
102.98556	2.3
109.25087	1.6
113.02448	14.2
119.03487	4.3
151.86005	2.0
347.44098	1.8
354.10556	3.8
355.10928	7.7
357.26630	2.0
373.18707	22.2
431.30026	3.0
535.24030	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	535.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	84.3
65.12820	4.8
71.01365	18.0
73.02934	18.8
85.02919	9.0
89.02414	8.7
95.01325	5.0
101.02430	29.6
113.02428	24.4
123.08147	45.0
125.09721	23.4
151.07639	43.2
169.08669	23.9
213.07669	100.0
259.23801	5.0
272.41458	5.1
318.79114	4.7
397.45337	5.1
431.22760	21.2
491.25031	10.5
535.20135	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	535.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.94798	0.5
71.01361	0.8
89.02455	0.6
93.03437	18.5
101.02393	1.0
113.02432	1.1
118.68536	0.6
126.97273	0.6
133.49725	0.7
137.02428	100.0
144.20076	0.6
147.96327	0.7
329.14044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99827	5.6
59.01377	100.0
60.13383	5.5
62.85099	7.0
63.82841	6.7
69.95248	6.5
71.01373	38.4
73.02932	14.1
85.02927	14.6
101.02422	15.3
132.30579	7.1
134.06105	10.5
187.09775	15.0
213.14850	7.7
247.14510	40.6
287.16391	8.8
287.22244	25.3
313.23740	14.8
331.15512	10.1
331.19202	9.0
332.85718	6.5
342.14554	12.3
344.68860	6.8
357.19360	13.7
399.19815	9.6
431.26663	10.4
449.27859	11.4
461.12302	6.5
491.28885	62.1
499.32825	63.3
535.32019	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	535.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78911	13.1
60.86655	12.4
64.02653	14.1
65.82151	14.8
68.29287	12.6
71.91312	13.6
93.89828	13.0
102.59496	15.3
132.12704	14.6
136.01680	17.0
142.07431	15.4
151.03987	74.2
327.83054	14.0
336.27036	13.9
369.22888	16.7
380.77768	17.4
417.19711	13.9
505.18246	19.1
517.18494	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	535.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87289	1.1
57.03439	2.4
59.01371	14.6
62.04928	1.3
62.78478	1.2
71.01372	20.0
71.71991	1.7
72.99313	1.9
73.02959	3.4
75.00861	15.2
83.01395	1.9
85.02934	31.7
85.04496	1.3
87.00874	5.7
89.02430	1.9
94.59919	1.5
95.01373	2.9
96.95997	97.2
96.96975	8.7
99.00880	7.8
101.02409	10.6
108.47633	1.5
113.02438	31.6
115.00359	2.1
117.01917	1.9
133.62450	1.6
151.11279	1.6
153.09219	8.0
153.12859	3.4
167.07045	1.4
175.02391	1.8
197.08237	2.9
209.54715	1.7
274.52011	1.5
413.30591	1.6
535.20514	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	535.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	2.3
59.01371	2.1
62.20240	0.8
71.01379	1.4
71.05005	5.0
72.10093	0.9
73.02934	28.4
81.03455	7.9
85.02930	1.7
87.00861	16.4
89.02454	1.4
92.19929	1.3
94.06855	0.9
97.02898	1.2
98.13599	0.8
99.00858	5.1
99.04505	4.8
101.02438	1.3
110.54108	0.8
125.02468	1.6
125.22108	0.9
131.03479	1.1
138.36226	0.9
143.03484	18.8
175.06102	16.5
193.07172	100.0
275.08670	1.2
316.63794	1.1
365.31567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13110	1.0
59.01376	5.1
66.55222	0.8
71.01378	5.6
73.02926	1.0
73.46206	1.0
85.02956	1.4
89.02431	2.4
92.19937	1.8
96.95996	7.0
101.02415	5.9
108.02150	4.7
113.02428	2.5
119.03516	1.3
122.03776	1.7
123.04507	17.6
128.03516	18.9
149.02403	7.2
150.03217	36.3
151.03986	1.5
153.06699	2.7
161.04538	2.4
164.03471	5.2
164.04799	3.9
165.04214	2.2
165.05557	52.5
167.03487	6.0
171.07758	21.1
177.04396	2.1
178.05096	9.1
180.04280	5.4
189.08823	5.9
192.06654	9.1
195.06593	1.3
221.06580	1.4
243.06894	2.0
250.09566	2.6
279.09946	1.8
280.10577	11.0
295.12912	9.2
321.10971	8.2
339.12000	1.6
385.14136	1.6
517.18732	4.1
535.19489	100.0
563.61487	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	535.1825
Annotation	Phellavin
Peak:m/z	Relative Intensity
59.01365	12.6
59.52692	1.8
62.14854	1.9
64.16679	1.8
66.80779	1.8
67.66113	1.9
71.01381	3.7
73.02950	3.0
96.28244	2.3
101.02436	7.7
103.87222	2.5
105.69003	2.0
108.16383	2.3
113.39346	2.1
119.05021	5.3
134.03690	10.9
148.05286	25.8
149.06062	11.3
160.05251	11.6
161.06032	3.3
162.03191	14.1
163.03979	30.5
177.05621	2.8
178.02650	3.8
178.06331	10.3
180.04274	5.2
182.40530	2.6
192.04224	2.2
193.05040	9.4
204.04289	8.8
205.05118	10.3
219.06723	3.2
222.05318	4.2
241.32426	2.5
245.11761	2.6
284.10455	8.6
296.10483	16.6
299.12933	24.7
311.12750	11.0
329.13937	27.0
355.11920	3.4
373.12927	100.0
499.26212	2.9
535.17334	4.4
535.23303	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	535.1823
Annotation	Phellavin
Peak:m/z	Relative Intensity
59.01366	3.2
61.98820	1.6
63.49270	1.1
75.64331	1.4
125.83963	1.4
142.11595	1.5
142.20448	1.3
148.05290	26.1
150.03256	1.9
160.05225	9.6
161.06029	2.1
162.03209	8.7
162.06879	1.4
163.03993	15.4
171.44109	1.6
177.05550	2.4
178.06398	11.2
180.04366	7.4
184.57060	1.3
192.04276	5.2
204.04381	10.1
205.05066	11.7
207.02866	2.2
219.06728	2.6
221.04456	1.7
222.05325	7.3
254.04358	1.4
264.88733	1.3
281.08231	6.8
284.10547	6.2
296.10498	17.6
299.12860	18.9
311.12894	16.5
311.54245	1.6
329.13995	24.4
340.09396	2.3
348.20932	1.7
355.11841	2.9
373.12912	100.0
375.37820	1.5
428.20255	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	535.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45549	3.1
59.01378	39.9
66.03748	2.3
66.04134	2.3
71.01380	21.3
73.02942	5.8
74.51247	2.7
83.05016	3.0
85.02927	6.4
89.02444	21.2
92.61073	2.5
95.29486	2.7
97.79194	2.6
101.02421	12.1
102.98597	9.6
113.02419	16.1
119.03481	4.6
158.45107	2.8
179.05597	11.4
267.06735	26.2
281.08176	29.2
295.09753	29.4
296.10464	16.8
322.08817	2.8
340.09528	83.1
355.11865	100.0
357.26532	5.2
431.29871	4.0
491.32031	5.2
535.18579	18.2
535.25287	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	535.1826
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
55.45791	1.7
59.01379	43.1
61.68893	1.9
70.38750	2.1
71.01363	7.3
73.02953	3.9
85.02941	3.6
89.02448	4.4
89.93504	2.0
101.02415	8.2
102.98602	1.8
103.02771	2.4
113.02426	8.7
121.02945	3.8
137.07411	2.1
161.02390	4.0
162.08849	1.8
203.18149	2.1
269.08176	12.0
283.09750	7.8
284.10574	9.2
295.09747	4.8
296.10516	4.3
311.09299	22.9
328.09579	46.2
340.09543	44.6
343.11865	100.0
355.11798	35.9
373.13019	27.0
415.23453	4.6
475.25122	7.4
491.24677	10.0
535.17804	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1822
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
65.43917	2.6
78.35802	2.4
121.02929	6.2
131.23181	2.4
194.58015	2.9
267.06616	9.8
269.08200	24.0
281.08096	3.5
283.09814	13.7
284.10550	18.9
295.09702	6.3
296.10776	8.6
311.09222	36.5
328.09528	15.2
340.09604	56.8
343.11856	100.0
355.11859	50.0
373.12958	32.8
516.37543	3.1
535.18164	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1455
Annotation	5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside
Peak:m/z	Relative Intensity
50.61146	2.8
55.44674	3.0
56.47792	3.3
57.88497	2.6
59.01355	4.3
59.04879	2.9
61.19430	2.7
75.81812	3.0
93.86929	3.6
94.21251	4.2
96.95990	19.1
109.62019	3.5
135.04495	19.3
161.01172	6.7
161.02414	90.9
161.04494	5.3
174.03212	4.1
175.03958	3.6
179.03482	55.2
195.03139	3.6
225.69937	3.1
235.02422	4.5
243.06609	4.9
300.29208	3.2
311.09094	12.0
313.07260	7.0
341.08621	28.3
343.08185	5.5
355.08334	27.4
373.12729	15.5
385.09274	17.0
415.10291	5.7
445.11438	7.7
535.14496	100.0
553.51398	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	534.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38166	0.8
54.67241	0.9
59.01381	3.6
61.98813	1.1
64.68817	0.9
72.00874	2.8
82.06620	3.8
85.91736	0.9
93.03450	4.2
93.28008	1.0
97.06565	1.7
107.04966	1.4
119.05003	14.1
121.71935	1.0
127.08801	1.7
129.10330	11.0
134.06129	6.7
136.07672	1.6
139.08737	1.7
146.06143	8.9
150.94795	1.0
155.08261	20.2
158.06119	1.7
163.03999	15.7
166.07497	1.4
167.08241	1.6
169.09775	3.7
176.76138	1.0
180.06664	44.9
187.10892	1.6
206.47113	1.0
209.07214	2.1
214.12296	5.7
218.14233	1.2
223.14621	1.7
231.07701	1.2
237.15999	1.0
242.12006	1.0
247.14548	4.1
249.16049	4.7
252.12630	1.3
257.12888	8.4
266.11853	1.2
275.13980	4.9
293.15051	6.3
309.19708	26.6
353.18753	14.6
356.25366	1.1
366.12552	1.0
490.30963	6.1
534.26099	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	533.3849
Annotation	Concentricol D
Peak:m/z	Relative Intensity
59.01367	1.3
60.01247	0.7
67.01869	1.8
73.74388	0.7
74.41216	0.8
84.62941	0.8
87.87962	0.8
103.04002	8.9
184.85638	0.8
385.34720	7.0
387.85776	0.9
403.35672	4.4
429.33731	7.4
471.34839	1.2
480.83832	1.0
487.38004	5.0
489.39532	12.2
533.38483	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	534.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86393	1.8
59.01376	57.4
59.23997	1.8
61.98829	76.6
71.01373	11.1
73.02939	21.4
73.59045	1.8
81.52413	2.4
85.02948	7.5
89.02435	3.0
94.92188	2.2
96.42133	2.4
98.96175	2.1
101.02436	12.9
113.02411	7.6
138.06885	2.8
139.07570	2.7
139.90916	1.9
151.07594	9.4
152.08385	20.5
153.09196	83.5
161.04611	2.4
165.71124	1.8
205.12340	32.5
223.13356	20.7
367.17542	19.9
427.19730	100.0
509.34128	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	534.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21848	2.0
50.33384	2.1
59.01379	64.8
59.47385	1.9
61.98833	100.0
71.01376	25.7
73.02940	66.9
78.02815	2.2
80.28399	2.3
83.01367	13.2
83.50224	2.1
89.02448	10.8
91.22173	2.1
96.85248	2.7
101.02435	49.7
113.02416	11.8
119.03471	4.2
131.03497	2.6
143.03447	4.3
143.04590	8.3
149.04616	8.0
161.04561	25.1
216.43289	2.1
220.05254	2.1
221.06616	16.4
285.42282	2.2
306.07645	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	533.3483
Annotation	Agosterol C2
Peak:m/z	Relative Intensity
85.06580	38.4
86.75609	7.0
97.03712	5.6
119.43444	6.0
163.42795	7.2
380.47910	7.1
435.27243	15.1
470.25073	6.4
533.34961	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	533.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74619	1.1
56.73915	1.0
56.86753	1.1
59.01377	30.1
71.01376	1.3
73.02940	36.3
73.03332	2.5
81.84216	1.1
83.69809	1.2
87.00858	5.0
87.04507	1.2
89.02408	1.5
91.04008	4.6
97.06596	1.8
107.00807	1.4
110.82374	1.1
161.58476	1.4
174.35152	1.3
189.14528	1.4
257.17575	15.0
260.92871	1.3
283.18985	1.9
337.23819	2.4
348.65930	1.4
355.24902	28.2
367.15073	1.3
447.29767	10.6
456.22284	1.2
462.76941	1.3
489.30731	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	533.3126
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
51.99141	5.8
59.01379	29.9
59.58105	5.4
64.68800	5.4
66.60516	5.6
71.01380	6.9
78.76361	6.4
92.19423	12.4
93.90269	5.7
160.66437	8.5
170.65417	6.9
190.73145	6.1
224.26166	6.8
250.72740	7.6
339.93649	6.5
471.31119	15.2
485.29050	67.5
533.31311	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	533.297
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
57.03442	3.1
59.01380	54.6
59.47423	2.3
71.01368	4.2
73.02936	33.7
89.02420	4.7
91.03990	4.0
93.14881	2.3
98.69223	2.3
101.02387	3.9
168.02373	2.7
192.52673	2.7
213.83212	2.5
257.17511	5.8
304.79028	2.7
327.25192	3.7
337.23734	3.1
355.24890	24.6
447.29486	10.1
489.30695	100.0
533.29718	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	533.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06013	1.8
55.56697	1.6
59.01373	45.3
73.02939	21.6
75.00851	2.0
75.02809	2.0
87.00862	3.3
89.02434	5.4
91.03985	2.6
97.77711	1.9
113.02449	2.5
114.90620	2.5
167.10771	3.9
205.41165	2.3
214.20123	2.2
239.30894	2.3
257.17627	10.2
271.19077	2.6
287.18433	2.4
337.23788	4.4
355.24976	31.9
417.68436	2.7
429.28754	4.3
447.29495	11.6
489.30670	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	533.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22570	2.5
57.03450	3.9
59.01086	4.3
59.01374	100.0
69.24303	2.7
70.29041	2.2
71.01374	24.9
71.65772	2.3
73.02927	22.1
80.99859	2.1
83.01378	2.8
85.02921	10.2
87.00855	2.3
89.02415	23.4
93.03404	2.6
101.02426	37.5
108.19527	2.1
113.02422	15.5
119.03465	12.9
143.03470	2.7
161.04562	10.0
165.10381	2.3
166.33791	2.2
166.80838	2.3
209.15468	8.8
261.26990	2.5
263.88864	2.5
305.25998	2.3
413.21927	22.2
431.22800	14.5
445.30643	2.3
473.23886	82.8
489.23471	3.2
509.70612	2.2
532.63568	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	533.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.7
55.26967	1.3
59.01377	67.6
69.49158	1.6
71.01374	50.7
72.99277	2.0
73.02937	17.7
75.00848	1.5
83.01368	15.5
85.02947	24.0
89.02422	13.1
95.01340	3.4
95.88890	1.4
97.02906	1.8
99.00821	6.9
101.02431	54.4
102.51368	1.7
113.02434	30.3
119.03438	2.4
125.02364	2.1
143.03458	2.7
161.04576	10.1
165.34445	1.4
329.19760	5.0
330.38391	1.7
371.20792	1.8
438.36475	1.6
489.26794	2.7
491.24393	17.6
533.25659	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	533.2605
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
54.05611	0.9
55.01870	1.9
57.03457	1.6
58.80450	1.0
59.01376	40.2
62.83287	1.1
64.85063	1.0
67.90220	1.2
71.01369	39.3
73.02943	13.8
83.01374	8.4
85.02934	18.4
89.02425	12.9
91.04765	1.2
93.81756	1.4
95.01385	1.6
95.28714	1.1
99.00851	3.0
101.02426	40.2
112.19032	1.1
113.02431	23.7
113.91162	1.2
119.03471	6.1
125.02396	1.8
143.03519	1.5
158.71030	1.3
161.04541	7.7
180.06682	2.2
193.05067	22.8
209.15450	6.8
267.06561	5.5
285.07748	1.2
331.03958	1.3
341.10086	1.5
353.10266	6.6
371.20673	24.0
386.34457	1.2
443.00528	1.3
474.22314	2.3
533.26038	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	533.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31369	1.0
61.98831	11.2
69.92198	1.1
71.01379	1.4
80.04160	1.0
99.05605	1.8
110.90905	1.1
116.82993	1.2
121.02943	5.1
122.91730	1.0
135.04510	100.0
145.02936	2.2
153.12192	1.3
161.02390	6.8
178.05002	1.8
240.49220	1.1
285.01971	1.4
291.17285	10.4
308.19757	5.9
334.17746	36.8
345.66888	1.1
359.72476	1.3
370.66141	1.4
425.81723	1.2
470.22977	74.4
470.29733	2.6
533.21033	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	533.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59801	0.8
54.13041	0.7
57.03433	1.5
59.01084	1.2
59.01377	27.8
65.48032	1.0
71.01372	16.8
72.99249	1.0
73.02929	3.7
75.00860	21.9
83.01363	1.5
85.02943	26.1
87.00839	4.3
89.02416	4.0
92.19382	1.0
95.01368	2.1
97.02864	0.9
99.00852	8.7
101.02428	6.1
113.02434	26.7
115.00375	2.1
117.01815	0.8
305.31503	1.0
348.63702	1.0
358.85632	1.1
477.49719	1.0
533.22400	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	533.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36715	11.4
55.26178	11.2
59.01378	100.0
59.14991	12.1
63.59546	10.5
66.40774	13.1
71.01379	26.4
77.35112	12.4
131.03474	18.5
136.76031	13.5
340.38345	12.5
429.21133	60.9
475.87045	12.4
489.24030	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	533.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.66049	3.1
69.06477	3.2
71.01379	94.1
73.02945	32.9
74.76398	3.5
77.94913	3.2
83.01377	13.4
85.02956	20.6
86.05641	3.2
87.00874	16.9
89.02430	91.2
89.11437	3.0
96.95963	7.5
101.02433	98.0
113.02436	59.1
119.03493	28.9
121.73162	3.4
123.87466	3.4
125.63369	3.2
130.06610	18.7
131.03514	27.2
138.02628	3.3
144.04547	5.7
146.06050	12.4
149.05983	3.3
159.03023	7.2
161.04538	50.8
166.96664	4.0
174.05573	23.3
179.05634	34.7
190.05069	17.5
193.04941	4.6
221.06657	36.6
263.07767	34.0
279.98746	3.2
283.01535	3.8
518.21521	6.4
533.21844	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28796	4.4
53.67488	4.7
59.01375	100.0
60.90507	5.5
61.24120	5.0
82.81696	5.0
96.60348	4.9
98.84787	5.4
108.50973	5.2
135.04504	41.0
220.69662	6.5
248.52841	5.6
309.07608	7.0
313.07104	22.6
336.06470	7.1
337.07193	42.7
367.11832	27.8
372.66794	6.1
381.09622	9.0
398.27383	6.4
411.10663	60.0
426.12988	10.3
441.15585	82.7
501.17569	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2037
Annotation	N-Demethyl-desepoxymaytansinol
Peak:m/z	Relative Intensity
50.36639	4.1
55.53361	3.8
57.14213	4.4
57.65808	5.0
58.85820	4.2
59.01375	100.0
82.08504	4.3
89.02415	7.2
92.19326	7.1
112.19657	5.2
124.07641	19.8
137.47920	5.7
154.08757	7.5
159.87669	4.8
178.75128	4.7
192.65143	5.3
222.63379	5.1
293.11816	9.4
294.16278	5.8
308.14056	99.6
320.13992	35.1
329.17563	11.1
334.12149	6.6
351.08832	9.0
352.13074	36.6
411.10782	23.9
420.32556	5.1
441.15488	70.0
486.38660	4.6
533.20746	39.4
533.30060	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	533.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.8
63.44377	6.0
84.41263	5.3
96.95996	8.1
101.02457	6.6
107.05061	8.7
113.02409	9.3
149.06065	11.4
177.05577	13.0
179.03510	45.7
239.05602	100.0
341.01144	12.5
356.47131	7.1
504.54227	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	533.1878
Annotation	Syringinoside
Peak:m/z	Relative Intensity
56.68246	1.5
57.03442	2.0
59.01377	17.0
67.97451	1.4
70.76026	1.7
71.01363	22.1
73.02928	2.7
75.00853	19.0
85.02946	27.3
86.23232	1.6
87.00861	6.6
89.02428	10.8
92.19933	2.2
95.01345	2.0
95.37734	1.6
99.00844	9.3
101.02425	8.3
113.02436	41.0
121.02886	3.1
123.04485	22.4
129.02011	1.7
139.08624	1.6
246.81714	1.7
304.31189	1.8
325.54193	1.6
442.30014	1.9
489.16165	7.3
533.18799	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	533.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01384	11.4
61.39924	0.8
64.60480	0.8
71.01378	8.3
71.03402	0.7
72.99319	1.2
73.02935	3.2
75.00865	1.9
85.02938	6.8
87.00881	1.3
88.40143	0.8
89.02418	1.3
95.01358	1.6
95.04437	1.4
95.05009	22.0
101.02419	4.9
113.02418	10.8
115.00359	1.0
131.03511	0.8
135.04539	8.0
135.08133	9.9
149.09685	4.7
151.11261	59.5
161.02295	0.9
175.02443	1.3
177.09253	1.7
191.92023	0.8
193.03514	6.1
195.10251	100.0
209.50516	0.9
222.10439	0.8
235.04492	1.7
334.17715	3.2
337.07779	4.6
355.08844	1.8
404.48087	1.1
411.64090	1.0
470.22949	7.6
513.75610	1.0
533.18524	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	533.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92411	2.3
59.01372	5.0
59.88182	2.8
71.35366	2.4
80.32758	3.2
96.95945	3.5
108.02113	4.2
113.02407	3.9
114.09168	2.8
123.00861	3.5
123.04542	24.1
128.03491	21.2
150.03198	3.8
153.06706	4.5
164.03572	3.5
167.03474	3.5
171.07764	25.7
172.06345	3.1
176.19902	2.7
177.04308	18.5
178.02731	17.7
178.05055	9.5
189.08757	12.1
192.06660	96.4
193.05013	10.6
280.10663	4.3
293.11237	4.1
295.12885	3.2
321.11026	3.0
361.65546	3.1
465.55457	3.4
515.16583	4.9
533.17694	100.0
533.25073	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10054	1.5
58.42160	1.7
59.01379	26.3
60.38187	2.1
71.01360	10.0
89.02420	11.8
100.92323	2.0
101.02428	4.1
113.02415	2.3
119.03399	2.1
178.53574	1.9
251.07188	3.8
262.06253	3.0
263.07104	9.8
264.07990	7.4
279.06580	35.7
294.08948	13.5
295.06143	10.2
307.06036	9.2
310.08481	11.4
322.08496	15.4
323.05637	57.6
338.07898	32.3
353.10287	100.0
355.24924	3.8
464.92926	2.4
473.73425	2.1
489.23743	3.3
489.30734	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	533.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95194	0.8
51.65639	0.9
59.01379	12.9
71.01361	4.0
85.02905	1.2
89.02427	2.1
99.92597	1.6
100.93355	1.6
101.02402	1.9
103.15356	1.1
113.02449	1.5
116.92818	13.7
145.02948	1.9
161.02319	1.4
223.07683	1.3
251.07060	4.7
262.06360	6.3
263.07135	6.9
264.07800	10.2
265.08673	1.1
277.08643	1.3
279.06625	39.1
279.09866	1.3
281.08041	0.9
282.08929	2.0
293.08023	1.9
294.08997	16.4
295.06125	11.0
301.72388	1.0
307.06165	6.9
308.06946	1.6
310.08334	8.8
322.08490	13.0
323.05597	47.6
337.07013	1.7
338.07980	46.6
348.15958	1.1
353.10300	100.0
489.23129	1.2
510.74612	2.4
511.24057	1.4
533.09125	3.8
533.16302	20.2
533.22620	1.2
533.29919	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	533.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43864	1.6
59.01380	9.1
67.34876	1.9
71.01360	1.9
71.87940	1.8
101.02416	2.5
111.00915	3.2
125.49792	1.7
251.07156	3.6
259.35049	1.8
262.06274	3.1
263.07172	2.4
264.07886	2.9
264.80536	1.7
267.06625	22.8
279.06592	25.3
282.08978	25.2
294.05350	13.5
294.09027	20.5
295.06012	3.8
297.11240	9.1
307.06021	2.7
309.07806	14.9
310.08508	2.7
322.08371	13.6
323.05609	32.0
326.07974	17.6
338.08041	36.2
341.06433	3.2
341.10312	58.7
353.10315	100.0
371.11572	3.5
431.41046	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1666
Annotation	Amurensin
Peak:m/z	Relative Intensity
54.11162	4.0
56.09821	3.9
59.01377	67.8
71.01372	23.8
73.02937	23.5
77.66933	3.9
78.04412	4.2
85.02934	20.0
89.02406	5.8
95.60445	4.2
98.08498	4.0
101.02425	22.9
113.02415	8.4
121.02962	7.0
131.69803	5.0
191.07141	20.3
206.05724	5.3
255.06366	6.2
267.06583	22.4
279.06622	22.3
282.08875	28.7
294.05298	41.4
294.08984	21.8
297.11340	8.6
301.66336	5.2
309.07825	42.8
322.08493	5.5
323.05597	37.3
325.07285	5.4
326.07901	18.5
338.07959	78.0
340.09656	6.5
341.10263	43.3
353.10355	67.8
370.73520	5.2
371.11346	100.0
489.23358	53.8
533.16437	97.9
533.24072	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	533.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01366	1.5
84.97370	0.4
85.02949	0.6
87.00865	0.6
96.95962	0.8
99.04515	0.6
111.00840	0.5
121.02941	0.6
122.03721	3.7
123.04501	32.8
125.02431	0.4
145.02916	0.6
147.04459	0.5
150.03238	0.9
165.05551	100.0
172.60243	0.4
191.01907	0.7
209.04530	0.7
253.03549	6.0
279.10873	2.4
398.85190	0.4
408.53604	0.4
533.14648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96708	0.9
73.02942	2.4
85.02917	2.2
87.00868	2.2
89.02419	1.3
93.03442	7.2
98.22159	1.0
98.66610	1.0
99.00859	1.7
101.02430	1.6
111.00869	5.7
111.04501	3.9
123.00864	4.8
129.01895	1.1
136.25690	1.0
137.02467	3.6
138.03209	24.2
149.39429	1.0
153.05554	24.0
173.04530	12.0
173.11931	1.1
182.02188	33.5
191.01964	6.7
191.05620	5.3
197.04544	100.0
359.09857	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65490	1.3
57.03437	1.6
59.01375	29.7
59.19677	1.5
63.74820	1.3
67.35799	1.5
69.03455	2.4
71.01366	11.7
85.02957	3.2
87.00868	22.4
89.02428	18.7
94.98075	1.7
96.95971	9.5
101.02418	9.4
111.00825	2.2
113.02428	9.2
119.03455	2.2
125.02421	2.7
129.01910	7.8
133.57629	1.5
134.03723	30.5
149.06099	13.4
160.01645	1.7
175.03996	25.2
178.02705	2.6
193.05063	57.3
207.06627	2.5
261.07681	6.1
287.08087	1.8
309.09946	2.2
353.08676	3.7
357.10440	3.0
382.42078	1.7
533.15112	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	533.1455
Annotation	Cercosporin
Peak:m/z	Relative Intensity
55.30613	3.0
59.01379	4.3
70.82333	2.7
104.97260	2.8
125.42896	3.4
213.45670	3.0
386.04266	3.7
387.04800	6.9
400.02148	15.2
407.53403	3.7
415.04425	19.8
431.07718	13.3
445.09100	6.6
459.06714	3.8
533.14581	100.0
533.35632	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	533.13
Annotation	6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
57.57841	1.1
59.01366	10.1
61.14982	1.4
65.70841	1.2
73.02902	1.6
75.67376	1.2
83.44292	1.3
94.57776	1.3
98.08986	1.2
296.07013	1.7
297.07700	11.6
311.05658	5.6
323.05618	5.6
325.07159	13.2
337.07169	2.7
353.06665	66.0
355.08301	1.6
356.05145	1.6
365.06558	14.5
383.07770	38.9
383.12430	2.8
395.07840	7.1
413.08661	6.1
425.09039	2.2
443.09705	9.2
473.11047	3.0
489.23801	1.8
533.13013	100.0
552.93701	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76627	2.3
54.95573	2.4
59.01384	2.5
61.71412	2.1
67.79473	2.1
73.87132	2.3
81.96684	2.5
85.02926	17.2
87.00859	22.9
111.00864	100.0
120.17039	2.6
129.01915	4.7
173.00929	3.7
191.02003	65.4
191.05583	4.9
262.97083	3.1
282.92014	2.7
293.60300	2.7
306.26373	3.0
321.59689	3.1
341.76456	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	532.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38791	0.9
57.03439	1.9
59.01376	97.6
62.89747	1.1
64.30921	0.9
70.07206	1.0
83.01370	10.1
91.03988	1.6
92.19418	1.9
101.02424	2.4
101.17291	1.0
142.63425	1.3
157.05029	7.2
175.06105	28.8
188.49844	1.1
193.07155	5.8
234.44783	1.2
255.23273	100.0
311.60773	1.2
373.47076	1.2
413.29117	14.4
431.30145	41.8
458.34705	2.3
473.31161	41.9
498.30176	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	532.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03442	1.6
59.01377	100.0
70.00859	1.0
73.02930	2.1
81.15213	1.0
83.01376	12.2
91.04009	4.3
100.93315	0.9
101.02436	5.3
119.03465	1.9
149.14502	1.1
157.05022	1.3
175.06190	8.3
193.07133	9.3
255.23283	80.7
413.29190	15.0
431.30106	40.0
458.35065	5.4
473.31186	41.7
532.38708	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	532.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
83.01382	48.2
84.28807	2.5
84.61453	1.8
85.35153	1.9
85.95779	1.8
92.19424	2.5
97.23257	2.0
191.52151	2.2
255.23347	2.9
279.23288	100.0
437.29099	63.0
473.26840	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	532.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37864	3.2
60.62134	3.1
65.45401	3.0
83.01373	36.3
87.30389	2.9
93.86057	2.9
106.45272	3.0
143.28633	3.1
157.05054	13.4
279.20392	5.3
279.23294	100.0
279.26044	3.8
399.71921	4.3
437.29053	66.5
473.26859	14.1
559.31183	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	531.3691
Annotation	Rubianol d
Peak:m/z	Relative Intensity
50.07726	0.7
57.16539	0.8
59.01368	7.2
73.42139	0.7
103.04001	23.4
135.72731	0.9
201.06763	0.8
221.51546	1.0
255.23169	1.2
298.76923	0.9
381.31464	1.5
383.33337	1.3
401.34244	1.3
427.32190	15.8
531.36932	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	532.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63839	2.5
54.50089	1.9
69.18239	2.1
70.75603	2.0
75.04115	2.1
87.92499	8.8
90.49568	2.4
96.95991	3.4
103.92010	53.1
104.92789	15.5
105.93546	11.8
108.02153	14.6
121.02931	38.6
123.94607	12.0
131.38759	2.7
146.03748	5.1
148.05321	39.7
149.45268	2.2
177.97226	3.9
189.97195	3.2
192.15520	2.8
193.96712	5.3
195.98305	5.8
207.98302	3.9
215.31387	2.3
218.97479	4.4
219.01120	12.1
219.98276	56.8
220.99014	3.7
221.99878	3.9
231.98267	4.8
235.97768	4.4
236.98543	26.3
237.99329	9.0
247.97739	13.2
248.98407	4.5
265.98795	11.2
290.99640	69.9
293.98352	14.5
311.03741	4.3
334.98694	3.3
354.05377	2.7
368.03574	26.6
386.04517	4.3
398.04633	100.0
424.02200	4.1
426.03992	12.9
442.03519	28.9
470.03229	3.4
488.04044	5.5
532.03442	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.8
61.24879	0.5
71.01348	1.2
73.02935	0.6
74.53111	0.6
85.02953	0.9
108.27445	0.6
113.02390	0.7
121.02934	100.0
129.10321	9.4
131.86819	0.6
139.08766	0.9
155.08214	3.1
157.09784	6.2
157.13428	3.9
166.23666	0.6
180.09091	0.7
195.14973	1.0
205.13451	2.7
222.16139	5.0
223.14418	4.4
224.10381	7.2
240.17126	2.8
267.15970	4.2
356.71240	0.5
363.27692	0.9
369.54291	0.6
381.28732	21.9
403.30417	0.9
409.28210	3.4
431.26733	1.0
503.32123	5.0
531.23456	4.3
531.32294	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	531.3327
Annotation	24-Epiquadrangularic acid G
Peak:m/z	Relative Intensity
53.83396	0.6
59.01376	6.2
69.03431	0.9
85.02925	0.9
85.06574	40.1
91.27127	0.7
103.03996	14.4
112.21623	0.7
123.38883	0.8
329.21210	19.8
335.15353	0.9
371.22256	1.4
401.30673	1.0
415.24976	5.1
427.28348	4.4
433.25955	26.8
531.25342	4.0
531.33252	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	531.281
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
57.03456	1.5
59.01379	84.2
60.08156	1.3
60.74600	1.4
71.01376	17.7
73.02942	12.5
81.50283	1.1
83.01382	1.4
85.02951	13.2
89.02443	7.7
95.01380	2.1
97.02988	1.2
99.00859	1.7
101.02422	17.4
111.00891	2.5
113.02446	11.2
119.03493	2.4
128.03514	1.9
283.15570	1.5
336.30164	1.7
471.26071	1.7
487.22278	7.4
531.28302	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	531.2102
Annotation	PONATINIB
Peak:m/z	Relative Intensity
52.88900	1.2
59.01377	100.0
70.99619	1.9
71.01382	11.0
73.02930	7.9
77.77222	1.4
79.83009	1.3
83.01357	2.2
85.02925	11.2
87.00848	2.7
87.09843	1.3
89.02410	10.6
91.13201	1.3
101.02425	12.0
103.41865	1.3
107.05008	2.5
111.00896	1.7
113.02457	9.7
119.03461	2.9
123.04494	3.1
129.01897	5.4
135.04518	40.5
157.91122	1.3
161.04529	2.7
161.06041	2.0
165.05489	2.2
177.05545	5.3
179.05606	2.5
188.56544	1.6
195.04807	2.5
249.12447	1.5
274.12030	1.4
291.12308	1.5
319.71930	2.0
357.18246	23.4
382.17651	8.1
399.19800	7.3
411.20142	3.3
424.18878	1.6
427.18921	7.5
429.21350	2.4
441.21198	2.4
452.18115	2.6
471.22397	27.5
531.13776	2.9
531.20929	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58026	4.2
52.28535	3.0
54.38468	3.5
59.01379	100.0
62.87970	3.0
71.01378	70.4
73.02930	21.4
83.01376	6.2
85.02942	26.0
87.00861	7.1
89.02435	93.6
92.19911	6.3
101.02431	65.0
113.02412	45.5
119.03492	28.7
131.03485	20.7
155.71559	3.5
159.02933	4.3
161.04565	30.1
179.05580	59.0
221.06758	38.1
229.17249	4.2
240.95190	3.7
263.07715	48.2
299.14795	5.5
347.74741	4.3
370.46707	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	531.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66674	0.7
57.39651	0.7
57.62685	0.8
59.01091	1.3
59.01377	34.2
65.66938	0.7
71.01369	6.2
73.02934	1.5
83.01366	0.9
85.02932	2.1
89.02431	6.3
101.02409	5.5
105.31905	0.8
106.04203	1.4
113.02429	5.7
119.03442	1.7
121.06573	70.1
125.02421	0.9
135.08920	1.1
147.04492	10.8
161.04495	1.0
165.05545	100.0
179.05635	1.3
224.63947	0.8
234.54300	0.8
369.11948	1.1
411.20114	1.6
421.03760	0.9
471.16150	0.9
471.22192	7.5
489.16656	1.4
531.17139	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58107	0.8
55.01836	0.8
55.65586	0.8
57.03461	0.9
59.01084	1.9
59.01373	39.0
63.34618	0.9
71.01369	6.3
73.02924	5.2
80.12517	0.9
83.80324	1.0
85.02930	4.5
87.00844	1.9
89.02441	2.1
92.20062	1.6
96.96031	1.1
101.02424	5.5
108.62477	1.0
113.02406	3.8
119.05013	1.7
121.06569	58.3
125.02498	1.1
129.01918	1.4
147.04504	9.6
149.04478	1.1
161.04543	4.0
165.05540	100.0
179.10904	1.1
198.59210	1.0
267.15955	5.4
471.15515	2.4
471.22086	2.2
487.21613	1.4
489.16010	8.5
531.17249	40.2
531.24451	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	531.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07970	0.7
52.39130	0.8
57.03439	1.0
59.01085	1.9
59.01373	40.0
60.30136	0.8
61.82666	0.9
62.47640	0.8
64.38772	0.9
71.01366	8.0
73.02937	3.9
73.64008	0.9
80.80033	1.0
85.02930	6.4
87.00854	1.2
89.02424	5.5
90.03381	0.9
93.87247	0.9
99.05650	1.0
101.02415	7.0
103.23636	0.9
106.04200	1.1
113.02407	4.7
119.03470	1.3
119.05013	2.2
121.06570	78.4
125.02396	1.4
125.91793	1.0
147.04495	10.4
159.30470	0.9
161.04521	2.2
165.05539	100.0
165.09203	3.6
427.19629	1.8
457.20493	5.2
471.15143	1.8
471.22318	3.5
487.21628	6.7
489.16013	2.1
531.17139	45.4
531.23651	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.3
69.21354	1.2
71.01366	1.8
85.82369	1.2
105.03459	1.6
109.67895	1.2
111.58035	1.3
123.77444	1.3
133.02951	57.4
134.03732	35.0
135.04523	10.8
137.02385	9.7
139.03996	2.1
159.04466	2.6
160.01651	5.7
161.02440	6.7
176.04771	6.0
177.01936	19.8
178.02689	46.8
179.03461	17.8
189.08162	1.3
191.07056	2.8
193.05070	43.3
203.03513	1.9
336.55978	1.6
340.08005	1.7
369.09769	100.0
381.05780	1.6
419.78836	1.4
531.14941	7.1
531.22491	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	531.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50342	2.0
57.28100	2.0
59.01370	3.5
63.77754	2.3
70.05698	1.9
72.13479	2.5
80.65823	1.9
85.02905	3.9
90.98611	1.9
113.02369	2.6
133.02940	42.1
134.03748	35.8
135.04520	34.7
137.02463	5.4
150.03194	2.6
159.04492	3.5
161.02420	4.1
165.09190	11.6
173.06381	2.2
176.04762	2.7
177.01985	16.6
178.02693	54.5
179.03459	21.1
191.07072	4.2
193.05060	18.5
194.28015	2.5
197.12927	2.8
203.03513	4.0
215.13988	3.3
298.06171	2.6
320.33481	2.1
369.09784	100.0
409.78378	2.5
501.24597	2.6
531.23279	27.7
551.75977	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	531.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34673	1.2
55.01867	1.6
57.03450	19.3
70.46140	1.3
71.01363	3.1
77.88202	1.3
83.01385	5.1
85.02938	100.0
99.00920	1.3
101.02435	6.0
110.53281	1.6
111.00856	23.4
113.99477	1.4
119.05016	11.2
119.05737	1.4
129.01924	51.6
145.02943	1.8
161.04546	3.1
163.03984	15.7
205.03505	27.0
531.13660	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10790	1.1
50.40990	1.1
59.01377	1.8
61.00234	1.2
66.60432	1.0
73.20332	1.0
92.19299	3.8
96.54153	1.3
105.03475	1.3
107.39748	1.3
116.64843	1.3
133.02937	48.9
134.03731	31.7
135.04520	9.5
137.02420	7.2
159.04477	3.2
160.01677	2.6
161.02415	7.7
176.04767	2.5
177.01921	20.1
178.02689	38.0
179.03473	19.2
191.07184	2.2
191.42581	1.2
193.05066	37.0
253.46521	1.3
264.72412	1.4
295.06320	1.5
340.07849	1.6
369.09787	100.0
420.87900	1.6
531.15125	5.2
549.14282	1.3
553.62408	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	531.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11946	3.1
55.82792	3.7
56.29525	3.1
57.03469	3.0
58.99598	6.6
59.01375	42.8
70.99588	15.4
71.01355	7.2
73.02924	5.7
74.99065	5.4
85.02921	8.4
96.95992	7.2
101.02411	7.4
102.98602	41.0
108.02146	6.8
111.00859	14.4
113.02422	7.2
120.99622	15.8
123.04509	100.0
130.95978	3.3
146.03627	4.4
161.04683	6.3
161.06035	49.8
195.04842	99.4
203.07158	16.8
213.04353	3.4
221.06364	12.2
247.06065	5.1
357.10254	27.0
445.11719	7.3
471.22202	6.6
487.12695	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12098	1.3
54.07213	1.3
55.01865	3.5
57.03446	20.2
70.87282	1.5
71.01367	6.0
75.09394	1.4
83.01363	3.4
85.02937	100.0
90.20337	1.7
101.02414	2.4
111.00871	24.8
119.05003	8.4
126.05581	1.7
126.23077	1.7
127.03995	2.0
129.01930	39.0
134.17229	1.8
142.05057	8.7
145.06972	1.9
153.06633	2.2
163.04008	15.1
171.07735	13.3
181.21230	1.6
188.05681	21.2
189.04117	3.6
189.05972	14.5
189.08792	14.1
205.03534	42.3
268.15445	1.6
292.60904	1.7
332.30051	1.7
531.13666	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	531.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75801	1.0
55.01876	1.4
56.46596	1.0
57.03445	19.9
69.30259	1.0
69.49614	1.0
71.01368	2.3
73.02949	2.0
76.06547	1.1
83.01382	2.1
85.02938	100.0
94.96286	1.2
96.95927	1.2
101.02430	5.6
106.44051	1.1
111.00858	26.5
119.05022	11.3
129.01918	44.8
145.02919	1.7
161.04527	2.4
163.03975	11.1
205.03522	33.5
529.02728	1.2
531.13538	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	531.118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.2
58.12334	2.8
58.99616	3.0
59.01377	48.9
70.99587	6.5
71.01379	6.2
71.57790	2.7
78.19785	2.8
82.95419	5.0
84.79443	2.7
85.02924	30.3
92.20004	4.4
101.02421	7.1
102.98598	38.7
108.02131	7.5
111.00831	6.2
113.02464	4.7
123.04501	100.0
129.01923	3.8
140.66190	3.7
148.28508	2.6
161.04611	5.6
161.06042	16.7
163.00705	5.1
180.02528	3.3
195.04832	79.2
205.03574	5.3
221.06427	5.3
357.10086	22.6
394.17203	3.3
445.11807	16.1
471.22620	6.3
487.12781	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55700	1.7
65.82505	1.9
66.35316	2.2
78.95896	2.9
89.94646	2.0
96.95966	3.4
117.20611	2.5
230.89053	2.6
255.23277	100.0
255.25912	3.4
305.24933	24.5
480.30878	36.6
530.31799	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	530.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	4.6
69.95742	1.1
76.46419	1.1
78.95887	5.5
84.37886	1.0
93.21094	1.0
93.28113	1.0
94.73227	1.1
172.88605	1.2
242.07841	1.9
255.23328	1.8
272.52600	1.1
285.00742	1.0
295.41934	1.2
305.24854	100.0
336.89078	1.1
363.91592	1.3
530.32495	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	531.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98377	0.8
59.01384	12.9
65.16682	1.0
71.01372	4.8
72.99298	1.1
73.02912	2.1
84.93871	1.4
85.02949	5.3
87.00870	1.3
89.02421	1.9
96.95986	11.2
98.95583	9.8
98.96226	0.9
99.00859	1.6
99.92561	19.2
100.93348	19.2
101.02428	4.5
102.47393	1.1
104.05359	1.0
113.02460	1.4
115.92050	15.6
116.92841	100.0
142.94391	4.5
147.04616	1.1
156.95972	1.4
216.57513	1.1
251.03841	1.5
282.05368	2.3
334.34915	1.1
390.45386	1.1
409.05991	4.1
427.06897	2.4
445.08548	2.2
451.07462	1.2
459.21286	1.1
469.08185	1.6
487.09149	5.9
487.21811	2.3
531.08057	43.3
531.27655	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	530.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60456	0.5
72.94102	0.4
77.36066	0.4
78.95885	7.0
79.81575	0.5
80.35751	0.4
90.36222	0.4
152.99548	1.1
168.04276	2.7
224.06970	7.3
242.07942	1.1
255.23289	100.0
266.70111	0.6
480.30939	51.6
530.30774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54159	0.5
58.00158	0.8
58.55740	0.7
70.91551	0.6
76.25258	0.7
78.82678	0.7
96.30975	0.7
98.02464	9.5
98.58762	0.8
114.05596	6.6
116.07143	4.3
126.05550	3.3
142.05086	34.7
144.06650	18.7
183.70885	1.0
188.05638	100.0
231.83720	0.8
316.40872	0.7
474.53738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2653
Annotation	Pharboside E
Peak:m/z	Relative Intensity
56.59401	1.2
59.01080	3.4
59.01377	82.1
68.55046	1.9
71.01369	30.2
72.99277	1.5
73.02935	10.0
83.01372	6.1
83.85272	1.6
85.02933	12.5
85.86081	1.5
87.00883	3.3
87.14866	1.4
89.02426	31.1
91.90375	1.5
96.95984	28.5
101.02425	35.9
111.00903	2.0
113.02415	15.5
119.03506	13.4
128.03508	2.0
151.07626	2.9
152.22929	2.1
161.04643	1.8
225.06133	1.5
245.19051	16.0
257.19135	3.0
259.54520	1.7
273.18646	2.4
275.20135	11.9
301.18115	12.1
319.19125	50.9
337.20093	1.9
387.16623	2.5
458.68301	1.7
481.24551	9.4
485.20230	16.9
499.25488	89.6
529.26605	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	530.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99372	1.8
59.01388	3.3
75.67030	2.5
92.20054	4.6
96.96010	2.1
102.05614	5.6
128.03540	43.9
129.01900	2.5
146.04547	11.6
148.05301	4.5
162.06706	2.1
172.02538	2.8
176.04787	2.9
191.07085	19.4
208.78542	2.1
293.08206	3.0
294.08688	2.9
297.07733	36.2
309.07764	20.4
312.10016	33.5
324.09991	8.4
327.12402	19.2
337.07397	3.6
338.07947	2.8
353.10284	5.6
382.12866	3.5
383.11221	16.5
384.75861	2.4
406.46365	2.6
500.15833	11.3
502.45828	2.6
512.15735	15.4
530.16791	100.0
530.25079	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	529.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12807	0.7
57.39117	0.7
59.01378	9.1
63.74607	0.9
71.01369	1.3
73.66550	0.8
97.06610	1.2
101.02422	1.3
102.81351	0.9
107.67942	0.8
111.00857	1.3
112.99010	0.9
119.04996	1.6
123.08148	20.6
125.09705	17.5
133.06583	1.6
141.09193	3.4
151.07642	30.3
152.31891	0.9
163.04033	2.0
167.07048	1.6
169.08699	16.1
177.78975	1.0
195.06601	5.6
213.07692	100.0
284.13718	1.0
514.62939	1.1
529.26233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84776	2.9
52.45168	2.4
55.01870	5.7
56.49113	2.2
59.01378	86.8
64.76168	2.2
70.81120	2.5
71.01369	78.1
73.02948	34.2
73.83364	2.1
83.01376	12.2
85.02929	35.6
89.02431	16.8
95.01362	4.3
96.95387	4.1
96.95995	100.0
97.02956	4.8
99.00878	4.9
101.02427	58.9
113.02438	39.1
125.02437	3.9
161.04521	15.2
163.07622	5.2
168.61536	2.4
209.06056	2.4
387.16510	14.8
396.20850	2.7
487.18063	55.0
529.19196	69.9
529.26794	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	529.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00568	0.3
57.42430	0.2
59.01385	0.5
60.22224	0.3
64.57455	0.3
78.36343	0.3
89.88669	0.3
96.96006	1.8
98.83741	0.3
107.75387	0.3
117.03516	0.3
119.05005	100.0
125.15990	0.3
143.15677	0.3
143.44925	0.3
161.04721	0.3
163.03995	55.7
467.51395	0.3
529.15540	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	529.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28022	1.9
59.01361	2.3
75.93793	2.1
93.03448	9.5
96.98080	2.2
99.04506	30.8
101.09661	3.0
111.00865	28.1
113.02458	3.2
115.04008	3.8
125.01556	3.8
125.02429	100.0
137.02417	28.6
141.04619	2.3
143.03496	24.0
186.07677	11.6
187.02463	85.3
187.06149	35.8
187.07918	4.7
187.10890	3.8
243.78998	2.2
341.10742	9.5
396.33389	2.4
450.73779	2.4
519.32599	2.3
529.17316	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	529.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03448	1.4
99.04493	24.7
115.04009	6.1
125.02420	100.0
137.02428	3.7
143.03479	10.3
143.07144	1.0
173.04668	0.9
187.02466	92.7
187.05975	6.2
232.27893	1.1
254.38113	0.8
529.14081	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	529.1567
Annotation	Pikuroside
Peak:m/z	Relative Intensity
58.38798	1.5
59.01381	33.7
63.30791	1.1
65.39671	1.2
71.01376	35.1
72.21060	1.5
73.02942	15.6
75.88081	1.4
76.62601	1.3
83.01397	2.9
85.02937	11.9
86.00102	1.5
87.00866	13.1
89.02448	16.3
95.01374	2.9
99.00821	2.5
101.02434	26.9
113.02444	22.2
119.03615	2.5
119.05009	92.2
126.26231	1.4
131.03493	9.3
145.55083	1.5
159.03032	2.7
161.04533	15.6
163.03984	12.9
179.05649	9.5
213.63625	1.4
221.06627	20.8
225.39131	1.3
261.14624	1.4
464.01993	1.4
529.15662	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	529.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51749	1.3
54.82962	1.3
54.83351	1.6
58.92608	1.5
67.56232	1.7
68.38451	1.4
68.68685	1.3
71.27364	1.5
96.74404	1.4
99.04508	24.2
115.03992	6.8
125.02425	100.0
143.03496	13.5
165.62033	1.4
187.00813	3.6
187.02470	95.0
203.58067	1.4
223.02081	1.7
225.20988	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10185	0.5
59.01371	5.0
64.75601	0.6
71.01376	0.9
73.02940	3.6
76.29372	0.5
79.95721	1.0
92.19917	1.3
96.95995	100.0
100.31893	0.6
101.02429	3.3
120.26774	0.6
121.10200	1.0
156.84109	0.7
220.38100	0.6
278.40488	0.6
387.16519	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	527.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17165	4.8
59.01374	39.0
80.88332	5.3
85.02919	5.4
112.34619	5.3
133.05322	25.5
134.06116	81.5
182.23119	6.4
184.46809	6.0
195.15015	7.3
223.14482	49.1
247.14479	89.8
273.12439	5.8
342.14569	13.6
358.21301	54.4
431.99551	6.0
452.25861	6.5
509.31143	6.4
527.28296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53440	12.4
93.81145	14.8
159.56886	16.5
231.98228	13.8
242.15349	16.1
249.18576	100.0
528.25488	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	527.2507
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
51.70758	0.8
54.72655	0.8
59.01372	9.5
59.21366	0.9
71.01359	7.2
73.02937	3.9
75.28594	0.9
80.16252	0.8
85.02928	2.2
89.02421	1.2
89.38863	1.2
93.43569	0.9
96.17121	1.1
96.96014	0.9
101.02409	6.2
101.11986	1.0
113.02422	4.3
121.36696	1.0
124.42642	1.0
124.72399	0.9
134.06985	1.0
152.18021	0.9
157.08693	1.9
202.54469	1.2
263.14996	1.4
303.19766	1.3
321.20697	7.1
347.18579	3.6
365.19440	1.2
380.44766	1.1
395.46002	0.9
425.20139	1.4
467.21454	9.7
527.24976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69021	1.7
53.03017	1.2
54.01405	1.7
59.01380	100.0
59.08880	1.3
64.06950	1.3
73.78505	1.3
96.96019	1.4
99.97731	1.4
116.32162	1.3
179.88423	1.3
280.59003	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	527.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
57.26517	1.9
59.01373	28.9
66.85346	1.4
71.01368	39.5
73.02946	13.5
83.01369	6.9
85.02928	18.1
87.00838	2.4
89.02431	17.5
95.01390	2.2
96.95979	1.8
99.00877	3.6
101.02425	33.5
104.00714	1.7
104.66938	1.6
113.02413	24.0
119.03474	3.7
125.02403	2.3
133.02982	2.1
142.21500	2.0
148.13631	1.7
152.01122	8.7
161.04515	9.7
163.08121	1.6
167.03452	8.4
169.03973	2.2
177.05499	2.4
200.75737	1.9
305.16000	11.5
336.05820	1.7
439.05865	1.9
467.21332	100.0
526.83734	2.2
527.23712	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	527.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28572	2.2
59.01375	67.9
68.69659	2.8
71.01370	20.3
73.02936	50.6
81.05099	3.0
83.01367	10.2
89.02435	13.3
101.02424	33.4
101.47491	2.8
109.02936	9.4
113.02419	6.7
119.03441	4.1
133.06569	15.0
134.22437	2.5
139.07619	15.4
139.60663	2.7
171.46422	2.6
205.12256	4.0
217.12212	3.6
263.31085	3.0
293.21268	11.9
316.08411	2.9
350.74625	3.0
372.14313	10.5
483.18726	100.0
527.25049	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	527.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23196	2.6
53.33105	2.5
59.01381	33.2
71.01374	4.8
73.02975	2.6
89.02422	3.1
89.43909	2.6
92.13714	3.1
96.95968	5.4
101.02416	5.4
105.19930	2.7
143.07138	3.4
145.07726	10.9
152.01123	9.7
160.06381	6.6
161.07188	89.9
167.03464	14.1
175.08768	17.0
186.95695	2.6
187.08775	25.6
189.06679	32.0
201.10292	23.9
203.08206	58.2
203.11931	13.5
217.09892	24.7
229.09805	91.3
231.07816	3.8
277.11945	100.0
295.12961	3.7
305.11404	34.0
319.12836	12.3
347.12631	3.9
349.13947	11.6
377.13708	2.8
439.17123	38.8
449.16483	3.1
467.16461	6.0
527.19672	5.5
547.66388	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	12.1
62.98840	1.1
71.09326	1.1
74.90562	1.1
78.78059	1.1
78.95901	6.5
82.47231	1.2
85.27583	1.5
86.45780	1.4
152.99542	2.2
168.04202	2.0
209.59380	1.4
224.06924	9.0
227.20164	100.0
292.97839	1.3
309.02151	1.4
343.51498	1.3
376.78348	1.3
378.56622	1.5
446.02084	1.2
452.27847	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67573	1.8
58.76093	1.7
61.05111	1.9
62.76272	2.3
68.34003	2.2
76.19808	2.3
87.05661	2.1
110.42368	2.7
119.04990	2.0
133.05302	9.8
134.06091	36.6
147.19736	1.9
153.06657	4.2
160.04054	4.2
167.19223	2.7
193.70953	2.6
219.87604	2.0
223.14537	12.1
245.13010	7.1
247.14517	64.5
273.12595	2.7
342.14545	45.6
358.21307	26.0
373.82733	2.7
385.20053	9.8
526.30383	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	526.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99539	1.2
61.26605	1.5
65.94946	1.7
72.78083	1.5
83.01882	1.5
89.70046	1.4
132.29318	1.5
133.05302	11.9
134.06100	44.3
139.08736	2.0
153.06679	8.8
160.04005	3.8
181.09801	6.8
181.13487	2.4
223.14481	9.6
231.11333	2.3
245.12965	3.6
247.14525	56.8
269.88708	1.6
273.12543	6.5
342.14603	41.9
358.21448	23.9
374.53397	1.5
385.20029	10.7
508.29419	1.8
526.30402	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	526.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03988	6.2
91.50762	6.6
92.19332	9.7
133.05295	17.9
134.06062	54.3
146.92232	8.3
151.98618	7.8
210.05507	6.9
223.14630	14.1
247.14494	63.8
342.14594	44.2
358.21350	17.4
492.69800	9.3
526.30133	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	526.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49671	4.1
52.94917	3.8
56.37288	4.8
59.01371	68.7
60.35520	5.4
60.43435	4.6
71.01370	63.9
73.02937	20.4
85.02932	19.3
87.00890	6.5
88.56416	5.5
89.02425	81.0
90.64975	5.6
99.95953	4.9
101.02417	76.9
113.02429	56.7
119.03462	12.0
124.97893	5.5
131.03444	20.3
146.90587	5.0
160.07715	8.7
161.04587	24.5
176.29521	5.3
179.05585	24.4
191.28954	4.9
194.03857	5.0
212.45804	5.5
221.06596	24.7
258.90741	5.1
263.07718	6.6
304.11899	10.5
322.13019	7.5
364.13962	36.0
462.44833	5.7
484.18317	43.4
489.36258	5.3
526.19189	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	526.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78222	2.6
86.02463	3.9
120.01244	4.1
129.89513	2.7
149.02376	3.1
150.03178	40.4
151.03989	11.3
164.04756	13.0
165.05550	100.0
179.07144	57.0
181.05051	13.9
195.06624	5.6
243.06926	5.3
329.09732	3.4
369.09134	3.2
391.12039	9.6
445.91248	2.7
518.79474	2.8
526.17389	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43112	1.1
59.01372	2.4
64.23886	1.0
77.91425	1.0
79.88099	1.1
80.27190	1.2
83.01393	2.0
87.00858	95.0
87.49669	1.0
92.19426	1.4
93.03438	66.1
100.77099	1.1
113.13992	1.2
117.03514	1.2
119.04991	1.7
120.99642	6.4
135.04510	50.8
137.02426	100.0
139.04068	1.3
158.11284	1.2
163.03981	2.4
179.03522	15.2
181.05049	1.2
201.11288	2.2
207.02988	5.2
225.04013	1.9
225.07700	1.5
245.73325	1.2
299.17624	6.7
524.01147	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	525.2719
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
51.94144	1.4
52.91808	1.3
53.81979	1.6
56.19382	1.7
59.01372	3.6
86.02470	2.3
87.00886	2.5
90.24919	1.8
95.85794	1.9
111.01991	2.0
133.05307	13.4
134.06097	53.7
139.08775	10.7
140.07167	2.6
151.71303	2.0
153.06654	16.5
160.03984	8.6
166.05054	19.2
180.93059	2.0
181.09818	4.5
186.38150	1.8
206.11748	3.5
207.07576	2.0
220.13290	2.0
223.14482	18.7
230.11806	3.0
245.12852	10.7
247.14508	68.7
257.12921	2.1
273.12427	11.3
309.89349	1.9
341.18500	2.7
342.14557	65.1
342.18698	2.3
358.21255	4.2
385.20175	18.1
420.22726	3.4
462.88150	2.0
468.36084	1.8
481.28287	32.2
487.61307	1.9
507.25598	3.2
525.27173	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	525.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01603	0.6
65.90540	0.8
86.26736	0.8
87.20345	0.8
92.19964	0.9
95.79531	1.0
106.04247	1.2
107.05025	15.9
123.04501	1.6
134.03726	15.1
135.04512	100.0
164.04774	1.1
165.05559	18.1
297.69662	1.1
299.09290	4.3
311.05762	1.1
311.09161	3.9
313.14523	11.1
314.11615	12.3
326.07910	1.1
326.11481	1.6
329.10446	1.7
329.13953	10.3
341.10168	4.2
341.13983	4.7
389.13727	1.0
415.15704	1.7
447.18497	8.4
477.19461	23.3
525.21686	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	525.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54630	2.2
59.01380	24.9
59.72469	2.0
61.98814	2.9
71.01365	9.3
71.01808	2.1
82.71912	2.1
85.89085	2.4
101.02412	3.9
107.05008	13.0
108.11335	2.6
113.02430	3.1
119.47525	2.4
134.03735	3.2
135.04521	100.0
165.05492	21.4
266.93832	2.6
267.19424	2.9
303.00009	2.4
314.11505	11.0
329.10275	3.3
329.14011	14.2
333.27213	2.7
341.13962	3.7
405.21442	5.7
423.22388	3.4
465.23270	3.5
525.21222	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	525.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83370	2.1
57.03450	2.2
57.32994	2.1
59.01378	40.1
71.01370	30.3
73.02930	15.1
79.04690	2.5
85.02940	11.3
89.02436	28.9
91.53603	2.2
95.01380	3.4
96.95984	2.5
99.00915	2.4
101.02436	40.9
113.02432	32.0
113.21482	2.2
114.25381	2.5
115.84937	2.4
119.03483	14.5
119.67936	2.7
121.50534	2.4
131.03461	11.7
152.01109	2.5
161.04547	19.0
165.05670	3.8
167.03552	4.4
177.62920	2.2
179.05644	4.0
221.06577	4.8
239.05684	3.9
240.62587	2.4
299.25397	2.3
328.98209	2.6
363.10934	3.1
364.14050	2.7
416.83560	2.3
525.22205	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	525.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08638	1.0
59.01376	2.5
60.22800	1.1
71.01375	2.1
72.58970	1.2
85.02967	1.8
93.84827	1.1
100.21529	1.3
104.58028	1.4
118.97829	1.5
125.09754	1.1
135.04512	5.0
137.02473	8.9
137.03375	1.2
149.02368	3.0
150.02100	1.3
150.03236	2.8
151.03986	2.2
152.01151	2.4
152.04782	23.3
163.04030	4.6
164.04773	16.1
165.05521	7.4
166.06403	1.5
167.03479	60.7
177.57567	1.1
179.07056	2.5
180.04242	5.1
181.05017	14.6
182.02661	1.2
182.05804	8.5
184.03603	1.5
201.83110	1.6
302.43106	1.2
348.12085	5.1
363.14508	100.0
525.21533	6.7
536.98859	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	525.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
83.66444	0.9
106.04227	1.0
106.20924	1.0
107.05015	16.3
123.04482	1.5
134.03716	16.1
135.04510	100.0
145.86089	1.1
149.02426	1.3
152.83432	1.0
164.04729	5.3
165.05560	19.0
175.52678	0.9
244.34396	1.1
295.06161	7.2
297.07513	3.8
298.08554	1.0
299.05591	5.6
299.08990	2.0
310.08258	1.3
311.05603	6.4
311.09296	4.7
313.07159	1.2
313.14487	8.8
314.08130	2.2
314.11572	8.9
329.10181	4.3
329.13947	7.9
341.10312	8.5
341.13782	2.5
406.17480	1.1
433.13812	1.1
433.20770	1.0
447.18692	7.4
477.20035	15.5
491.13147	1.1
525.17841	6.2
525.20917	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	525.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31268	0.4
57.18104	0.4
59.01374	0.5
62.02709	0.4
65.04469	0.4
66.88503	0.4
66.93800	0.4
70.33742	0.4
70.59245	0.5
75.86276	0.4
87.76578	0.4
100.44424	0.4
106.04227	0.8
107.05016	15.8
134.03720	4.0
135.04514	100.0
164.04799	1.8
165.05554	24.1
181.18135	0.5
196.03905	0.7
243.78687	0.4
281.04532	1.0
294.05405	0.9
295.06198	8.0
296.07007	0.8
299.05600	5.6
299.09277	2.2
301.16394	0.6
309.07422	0.8
310.08478	1.7
311.05624	6.8
311.09296	2.5
313.07147	1.0
314.07956	4.2
314.11682	5.2
326.08014	0.7
326.11459	0.5
329.10291	5.3
329.14011	7.3
341.10324	13.3
341.14008	3.1
379.18530	0.5
473.25073	0.5
525.18115	4.2
537.52698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67545	1.3
51.44440	1.2
62.44643	1.3
76.91218	1.5
85.01249	1.6
96.95968	7.0
101.80247	1.4
107.05003	7.8
112.38705	1.7
121.02920	5.7
123.00804	1.5
135.04517	100.0
135.75189	1.4
137.49371	1.8
138.03188	6.4
153.05568	18.5
165.05553	20.8
182.02206	48.4
197.04550	91.7
214.09897	1.5
247.87964	1.3
249.63165	1.4
277.48648	1.6
287.39975	1.4
343.05399	1.6
363.10870	9.5
385.12177	1.5
443.85635	1.5
525.08453	3.4
525.16113	73.1
525.23969	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1614
Annotation	6-O-Veratroylcatalpol
Peak:m/z	Relative Intensity
61.84154	1.2
73.50275	1.2
75.30616	1.3
75.69485	1.2
82.71211	1.4
83.75873	1.4
84.61300	1.1
88.67085	1.3
108.02146	7.6
123.04499	18.7
149.02425	2.3
150.03197	28.7
152.01146	36.8
165.05559	78.3
165.06956	3.0
167.03490	100.0
180.04193	2.6
195.06587	17.9
209.04652	2.4
256.07416	6.1
282.47211	1.5
315.08673	6.4
363.10825	27.0
525.16132	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	525.1614
Annotation	6-O-Veratroylcatalpol
Peak:m/z	Relative Intensity
56.36588	1.1
68.60767	1.3
79.76761	1.3
85.04198	1.2
92.44538	1.2
107.05013	8.0
121.02945	3.1
123.04550	1.3
134.03717	6.6
135.04517	100.0
138.03209	5.5
152.01140	2.9
153.05557	11.9
165.05537	20.2
166.99864	2.2
167.03462	7.8
172.16240	1.4
182.02203	51.5
196.03793	2.3
197.04544	79.4
207.68034	1.6
215.06865	1.3
238.74664	1.4
239.05450	1.7
271.09702	5.5
305.58789	1.4
315.08945	3.2
363.10913	27.5
413.32834	1.5
497.85269	1.6
525.16125	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47070	3.6
65.22172	4.3
71.97086	4.0
74.42481	4.8
75.00848	4.5
97.38758	4.4
102.54874	4.3
112.20264	5.6
134.74977	4.4
156.08226	6.4
172.07623	28.5
200.07172	25.2
202.05107	65.3
234.46834	4.5
254.80972	4.4
262.07190	100.0
441.34799	4.4
509.78125	4.6
525.22388	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	525.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65138	1.8
57.01719	1.9
58.47470	2.2
59.01382	2.7
64.77303	2.0
65.37775	1.9
66.77187	2.4
84.71703	2.3
87.00843	15.6
93.03434	2.5
113.78053	2.2
120.99638	100.0
132.88838	2.1
137.02429	2.5
142.34029	2.3
162.19023	2.1
195.06613	4.0
266.27899	2.0
502.74255	14.3
503.24481	4.3
525.21747	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	525.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35301	0.6
51.69063	0.5
54.47381	0.7
54.59333	0.5
65.52689	0.6
87.00861	1.4
92.19381	0.9
93.03447	1.0
96.95998	16.3
96.96945	1.1
114.04188	0.6
120.99638	100.0
137.02426	1.1
221.39500	0.7
228.03668	0.7
255.15102	0.7
294.63483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.6
61.03125	1.8
62.13416	1.9
66.56965	1.9
68.04893	1.9
71.01375	12.3
82.04100	15.6
85.02924	2.3
89.02436	4.1
101.02406	3.2
113.02481	3.9
139.52074	2.2
141.09218	91.9
155.10791	9.8
156.11053	2.7
163.12402	9.9
164.35872	2.2
199.09804	5.3
224.14035	100.0
261.37363	2.6
261.40460	2.9
278.94647	2.0
287.70233	2.5
323.19760	2.4
462.32391	80.2
464.22238	10.8
506.31256	26.4
524.20306	13.7
524.27271	6.8
524.33319	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	524.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05328	1.6
58.02985	2.6
64.29947	2.0
64.61897	1.6
74.02467	15.0
75.08161	1.9
79.99760	1.9
82.78642	1.8
86.02477	7.3
99.05632	13.3
101.33816	1.7
102.99718	1.9
111.32244	1.9
117.41947	1.9
128.03520	53.1
141.06682	6.7
143.04614	82.2
146.04579	4.1
153.06743	4.0
160.00710	18.0
166.09752	3.1
167.04601	3.0
177.03429	4.4
179.04640	22.1
181.06038	2.3
183.57346	1.8
184.11005	2.9
185.05713	2.3
197.05835	2.4
210.08865	16.9
228.09808	1.9
249.93542	1.8
254.07779	12.6
272.08951	13.5
306.07669	100.0
355.64029	1.7
524.24481	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	524.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.1
65.02548	1.0
72.18156	0.8
75.00887	1.0
79.89844	0.9
94.33793	1.1
97.72909	1.0
97.73615	1.1
111.14551	0.9
121.02934	100.0
130.08719	76.8
143.11864	13.3
146.06085	6.0
170.08203	1.3
170.73581	1.0
214.12390	34.8
215.08252	1.2
221.51012	1.2
231.14909	1.2
302.12970	1.2
321.54755	1.2
358.25043	6.4
372.63434	1.0
402.23965	38.5
502.23608	1.2
524.27704	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	524.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12381	2.2
62.33725	2.5
71.06241	2.6
75.00864	3.2
77.20486	2.4
82.21144	2.0
88.25990	2.3
89.02438	2.4
94.44068	2.7
94.56384	2.5
120.01240	100.0
176.23422	2.9
191.96176	2.7
211.30074	2.8
231.61661	3.0
373.12878	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	524.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81209	2.2
59.01379	17.3
61.98832	2.7
82.02969	2.9
91.33776	2.0
127.25352	2.0
129.05577	18.1
144.38097	2.4
146.06190	3.0
148.07646	12.6
162.05580	25.8
163.16071	2.2
174.05632	20.1
174.87685	2.3
187.05133	22.0
192.06683	9.6
203.08238	22.7
219.07727	100.0
231.11369	2.6
235.10854	3.3
245.09264	21.2
246.11313	3.0
257.09293	16.6
258.88602	2.3
268.35168	2.3
268.78665	2.4
275.10461	3.5
277.11896	11.8
289.11942	24.1
313.11929	5.3
331.13000	11.5
339.48608	2.4
349.14038	27.6
383.08597	2.6
434.67371	2.2
456.16046	3.0
488.18454	3.8
506.19156	21.9
522.63531	3.1
524.20380	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52809	1.6
59.01358	2.0
61.22346	1.7
65.61987	1.6
69.39281	1.5
71.01364	1.6
89.35753	1.6
93.30504	1.6
96.96008	1.7
113.78958	1.6
120.01237	100.0
139.55521	1.6
143.65463	1.8
166.99246	1.9
194.05779	2.6
314.07236	2.5
331.08206	1.8
332.08521	2.6
344.08441	2.4
346.10287	2.4
358.10605	2.8
362.13211	7.7
373.12820	16.5
378.90363	1.8
382.87476	1.7
414.35315	1.7
524.20990	3.0
524.27808	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	523.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43870	4.3
59.01378	100.0
71.01366	25.2
85.02958	8.0
90.59088	4.9
92.19413	9.2
101.02422	24.0
103.29884	5.1
105.36828	5.5
113.02413	9.6
149.09430	7.0
158.97958	5.7
173.77979	5.8
200.47054	5.3
262.59305	5.5
389.25476	18.5
407.75153	6.0
413.25226	22.7
431.26669	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
68.58745	2.9
71.01375	23.6
73.02940	4.7
83.01382	5.6
83.13031	3.4
84.37231	2.6
85.02947	16.9
92.19384	3.6
101.02443	20.4
106.21655	2.5
113.02419	14.2
115.47922	2.6
118.38569	2.6
137.61655	2.8
159.36424	2.8
264.08698	3.3
317.72992	3.1
371.24152	9.1
389.25366	15.7
413.25345	26.9
431.26392	34.5
449.27417	4.9
523.24225	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	523.3054
Annotation	Oncostemonol A
Peak:m/z	Relative Intensity
52.37862	1.8
55.05085	1.9
58.02968	2.8
59.01386	2.3
59.43552	2.2
65.30137	2.1
71.54778	1.7
74.02463	9.3
94.09785	2.2
98.06112	3.6
101.02477	3.0
110.06149	3.4
112.07672	8.6
116.05045	15.0
116.25758	2.3
129.10341	26.4
130.06667	3.1
131.62733	2.1
133.18466	2.2
137.04839	2.7
139.43091	2.3
141.10347	3.5
157.07716	2.9
170.71770	2.2
173.59406	2.6
203.08356	3.8
222.11317	12.3
229.64107	2.2
269.46637	2.4
299.19019	2.3
327.16660	2.2
331.03577	2.4
342.18210	3.9
352.22357	45.0
395.28326	3.1
427.24985	3.0
471.24170	30.9
473.24683	5.1
481.28134	12.3
485.25882	4.5
523.30377	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	523.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33478	4.4
52.76622	4.4
57.64478	4.7
59.01384	100.0
68.52678	4.7
69.41276	5.0
69.61431	4.5
71.01374	28.9
75.86186	5.3
85.02933	8.1
101.02419	8.1
113.02428	9.7
135.46442	6.1
165.05544	6.8
179.25510	5.4
271.10864	9.4
289.11929	7.9
400.20978	6.4
523.29675	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	523.2766
Annotation	Sedumoside A6
Peak:m/z	Relative Intensity
59.01378	19.3
71.01357	11.3
73.02941	2.5
85.02930	5.3
89.02422	8.8
100.06466	1.4
101.02433	8.1
109.06557	2.3
109.28242	1.4
111.08160	3.2
113.02408	6.0
120.01229	8.1
127.07638	1.3
139.07660	7.5
141.09227	1.6
167.10770	6.4
235.60670	1.7
343.21338	10.3
345.22778	24.4
361.22360	11.1
523.20398	10.5
523.27588	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	523.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77172	0.9
59.01381	15.9
61.95913	1.1
71.01375	7.8
74.22181	1.0
85.02935	2.1
89.02424	8.2
96.96007	1.9
101.02438	7.9
111.08140	1.8
113.02425	5.5
137.64127	1.0
139.07625	5.4
150.03174	1.8
155.10768	11.1
164.04781	1.3
165.05510	2.0
187.07701	4.3
188.07938	1.0
203.09224	2.3
208.03729	1.4
269.15662	1.2
343.21143	10.0
361.15927	5.8
361.22342	6.8
449.21036	1.2
523.20728	9.7
523.27618	100.0
525.24109	1.1
532.19501	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	523.2775
Annotation	Sedumoside A6
Peak:m/z	Relative Intensity
56.77172	0.9
59.01381	15.9
61.95913	1.1
71.01375	7.8
74.22181	1.0
85.02935	2.1
89.02424	8.2
96.96007	1.9
101.02438	7.9
111.08140	1.8
113.02425	5.5
137.64127	1.0
139.07625	5.4
150.03174	1.8
155.10768	11.1
164.04781	1.3
165.05510	2.0
187.07701	4.3
188.07938	1.0
203.09224	2.3
208.03729	1.4
269.15662	1.2
343.21143	10.0
361.15927	5.8
361.22342	6.8
449.21036	1.2
523.20728	9.7
523.27618	100.0
525.24109	1.1
532.19501	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	523.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05354	38.1
54.57373	35.3
81.28364	42.9
93.19341	42.6
93.60741	46.1
99.20956	45.9
100.80843	41.9
106.58424	41.6
172.14787	39.6
172.51303	51.8
177.04138	45.6
181.94785	40.6
264.35172	46.8
318.51514	47.5
381.01031	51.7
523.27448	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	523.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90089	15.9
89.44688	20.9
165.85052	18.5
169.06277	16.7
172.45811	19.2
243.01482	18.2
252.85217	21.4
348.67999	21.0
368.16458	21.8
419.19250	19.6
424.54605	21.5
523.27063	100.0
547.13531	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	523.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	76.9
71.01369	57.9
73.02933	11.3
75.00861	11.6
85.02938	20.6
87.00866	3.6
89.02426	100.0
95.01394	3.1
99.00835	4.4
101.02419	43.3
113.02435	32.4
119.02699	1.8
119.03492	12.0
122.03735	3.6
131.03470	22.5
149.04539	31.9
155.10754	11.9
160.05118	2.0
161.04535	2.8
175.07639	3.8
185.11899	2.3
191.05594	8.2
191.07236	2.3
211.84793	1.9
241.08147	2.0
271.02264	2.3
311.09930	2.9
316.84113	1.9
329.13885	7.6
331.14346	7.4
344.64392	2.2
347.17108	4.1
361.16528	22.2
463.21872	82.4
479.17874	14.4
523.20221	44.9
523.27356	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	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83773	1.8
59.01084	3.3
59.01377	73.0
61.54584	1.7
71.01370	57.3
73.02938	11.8
75.00864	10.8
83.01382	3.4
85.02944	20.3
87.00842	4.1
89.02427	100.0
92.19440	2.3
95.86920	1.9
99.00868	4.4
101.02413	36.9
113.02421	36.5
119.03468	11.0
131.03500	16.9
143.03398	2.3
149.04527	27.0
155.10760	7.4
161.04507	2.5
179.05472	2.3
185.11780	7.2
191.05585	9.6
226.53850	2.1
247.05643	1.7
311.09787	2.6
331.14456	3.0
331.17831	2.4
347.17130	3.8
361.16385	3.7
463.21863	73.4
479.17831	19.6
523.20117	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25563	1.0
59.01381	17.8
68.93629	1.1
71.01358	13.9
73.02937	1.7
75.00873	2.9
85.02958	5.6
87.00860	1.4
89.02435	11.1
99.00884	1.6
101.02428	7.7
109.02950	2.9
113.02421	12.3
119.03501	2.9
120.01234	7.6
120.85275	1.1
121.02889	1.9
121.10233	1.5
121.88499	1.1
122.03713	9.0
137.09721	2.0
140.70102	1.3
143.03534	1.5
147.04437	1.4
155.10773	48.0
161.04558	2.4
165.05554	25.8
166.29523	1.4
169.90524	1.3
173.08250	1.8
176.07947	1.6
179.07129	6.4
199.09753	13.8
203.09236	4.9
223.09668	1.5
315.12390	2.7
316.13190	1.4
343.21246	6.3
346.14218	16.3
353.59445	1.3
361.16589	100.0
361.21777	5.0
523.20306	45.1
523.27588	47.8
529.63025	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	523.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76328	1.5
59.01381	24.4
59.73559	1.5
61.86580	1.5
71.01375	29.3
73.02935	6.9
79.20412	1.5
83.01353	2.1
83.05048	2.6
85.02943	3.8
87.00865	3.7
89.02433	27.3
89.17200	1.6
96.95964	2.1
99.00858	2.2
101.02436	30.6
106.96805	1.7
113.02458	22.5
119.03506	4.9
125.06075	19.5
131.03517	14.5
137.09718	2.8
154.16872	1.7
159.02985	3.1
161.04552	16.7
190.52440	1.9
221.06630	7.5
341.95999	1.9
449.16641	3.9
490.37076	1.9
523.20367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45841	0.9
77.44705	0.8
77.96998	0.8
82.96109	1.0
85.02860	0.9
119.51218	0.9
122.03693	3.9
135.38766	0.9
151.03951	1.3
161.06123	1.9
163.04002	5.4
164.04883	2.9
166.06342	1.4
180.07893	39.5
180.09471	1.4
182.05774	4.1
191.07185	1.3
192.07896	6.6
194.05876	12.1
194.09500	4.8
195.06607	7.2
195.10275	1.9
207.10229	0.9
210.08995	5.1
212.06906	9.0
223.09671	1.4
226.08302	1.5
297.11246	3.7
302.64502	0.9
313.10846	5.4
316.13193	9.5
328.13120	23.9
331.15503	30.7
343.15491	16.7
361.16562	100.0
446.63547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77216	1.2
59.01375	23.0
59.55164	1.8
63.15437	1.3
68.78011	1.5
71.01366	7.1
73.02928	6.2
74.40487	1.6
77.44380	1.6
85.02884	2.0
87.00887	1.5
89.02427	3.5
101.02388	7.5
102.12389	1.4
113.02407	2.9
135.03070	2.1
137.09686	9.1
155.10760	100.0
181.08759	1.5
199.09775	26.2
224.97203	1.5
241.10777	2.4
245.14049	1.7
306.89700	1.8
361.16284	2.0
479.24841	7.5
523.20294	80.5
523.27386	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	523.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81794	1.6
59.01380	53.7
71.01374	50.1
73.02937	20.4
83.01369	4.2
85.02953	17.2
87.00846	7.6
89.02436	27.6
95.01352	3.3
97.02950	2.6
99.00869	3.1
101.02435	45.0
113.02440	30.3
119.03484	11.7
123.20895	1.7
125.02449	4.4
131.03453	12.5
131.49275	1.8
148.02589	9.4
161.04530	15.2
166.10693	1.9
168.12694	2.0
187.07675	2.4
221.06612	7.7
299.22086	1.9
319.13846	3.6
353.25443	2.1
361.15225	11.1
463.24530	7.2
479.21283	9.5
481.19370	12.7
523.20313	100.0
523.28180	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	523.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96559	1.6
56.31089	1.6
58.78674	1.8
59.01376	18.1
61.88045	1.6
64.79573	1.8
71.01376	8.4
73.02919	2.8
85.02962	2.4
89.02434	11.6
96.95972	3.9
101.02411	8.7
113.02425	3.0
119.03467	3.4
119.04993	2.1
120.99639	39.2
124.07660	4.3
124.77213	2.3
126.30451	1.8
134.06042	3.1
137.09685	18.7
155.10764	100.0
161.04626	3.4
165.05531	2.0
173.09709	3.5
180.04276	2.3
180.06535	2.1
181.08774	2.5
199.09738	18.3
208.03767	1.9
241.05371	2.7
241.11023	2.5
329.06659	2.3
343.98529	1.9
463.24472	31.6
523.20331	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12002	1.1
75.00854	2.5
76.95383	1.4
107.05014	21.2
120.20296	1.4
134.03738	16.0
135.04512	100.0
162.06842	2.0
165.05563	21.9
169.09776	1.3
293.11914	7.2
294.08987	2.5
297.07574	3.7
307.13019	1.7
309.07678	8.9
309.11087	2.2
312.09988	7.7
324.09882	1.9
327.12375	9.4
339.12299	6.5
397.10803	2.1
427.15625	3.7
454.71259	1.6
475.17673	28.5
523.19861	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	523.1826
Annotation	8-O-E-p-Methoxycinnamoylharpagide
Peak:m/z	Relative Intensity
59.01368	1.6
62.97632	1.1
71.01385	1.2
72.89575	1.0
74.95980	1.0
79.53742	1.1
83.01381	2.2
101.02457	1.5
111.00868	9.7
125.99584	1.5
127.00354	4.9
136.98775	5.7
138.03200	16.3
139.00365	73.4
153.01920	13.6
154.02724	2.6
166.02693	31.1
180.04269	4.5
232.12100	1.4
346.10446	5.3
361.12955	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	523.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36403	3.7
56.56770	4.7
57.03452	59.8
57.27133	4.0
57.27420	4.2
57.49767	4.2
59.01387	37.8
60.14716	4.6
71.01372	5.6
75.96991	3.8
83.18567	4.2
87.00856	31.3
91.53174	4.4
96.95973	18.2
99.04506	84.8
101.02419	9.4
106.26847	4.3
124.49957	4.8
125.02420	11.7
135.06648	8.8
138.03264	5.6
191.38335	5.3
279.10812	100.0
347.00763	4.8
399.21518	4.8
452.60367	5.2
463.14404	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	523.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.7
73.02926	6.3
87.00854	35.4
92.32726	3.5
105.01910	22.0
120.99651	4.1
124.15125	3.4
165.05540	18.4
166.06328	12.2
181.08719	4.2
194.05852	3.6
209.04599	3.7
224.06929	32.0
225.07697	90.2
239.09244	40.4
435.16507	13.7
523.18231	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	523.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.3
63.58672	2.2
71.01383	17.8
72.99290	30.1
73.02949	5.8
75.00874	2.5
76.62411	2.1
85.02946	12.2
87.00851	3.4
89.02431	9.7
101.02436	12.9
113.02422	15.0
122.06078	12.1
125.06059	4.5
132.04530	26.2
133.05302	18.3
138.05617	3.6
161.04578	3.2
176.03532	3.1
177.04260	17.1
179.05632	2.8
197.35146	2.3
199.49448	2.4
212.10793	3.1
243.11397	47.3
255.11391	59.9
271.10797	3.6
287.10431	49.0
299.10434	33.1
315.09732	4.5
317.11398	5.6
343.09280	14.1
361.10413	63.3
383.87103	2.6
479.21091	2.7
523.14636	100.0
545.81610	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	523.1459
Annotation	Barbatoflavan
Peak:m/z	Relative Intensity
59.01376	5.5
60.45930	0.6
68.99803	7.1
71.01367	4.5
73.02943	1.0
85.08077	0.8
89.02419	1.4
101.02431	2.0
108.02176	12.9
111.62351	0.8
113.02424	1.2
122.03712	1.0
123.00863	1.2
123.04507	26.4
128.99144	0.8
134.03806	1.0
137.02515	1.1
147.04543	1.2
147.17551	1.0
148.01685	1.3
150.03200	5.9
151.04005	0.9
152.01151	17.8
163.03976	3.6
165.05511	1.1
166.02647	6.5
167.03482	100.0
168.41219	0.8
177.05560	1.1
177.40323	0.9
178.02701	32.8
179.03464	0.9
181.04984	0.9
193.05060	49.0
194.75787	1.0
207.02902	6.8
209.04564	8.1
212.01178	0.8
246.20499	1.0
272.06918	4.0
279.09711	0.8
287.09204	2.1
327.20651	1.1
331.08304	3.6
361.09317	85.7
403.10416	4.7
439.77780	1.0
523.13806	12.4
523.20563	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	523.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.9
67.93784	1.1
71.01360	5.3
73.02937	1.3
78.93076	1.2
83.01369	1.4
85.02937	1.7
87.00846	2.5
89.02435	7.0
92.19908	1.4
96.03782	1.2
96.95974	1.5
101.02420	9.7
113.02455	1.7
119.03526	1.4
120.99637	100.0
134.03734	2.2
137.09706	7.3
143.03603	1.4
155.10768	52.1
165.05502	2.0
171.38248	1.5
172.39677	1.3
175.03966	2.2
177.05623	2.2
178.02707	2.1
180.04340	1.7
181.08803	1.9
192.99628	2.5
193.05067	8.3
195.06645	5.9
199.09793	14.5
207.06563	1.8
208.02087	4.9
211.04359	3.2
217.41434	1.3
223.04292	7.6
223.06316	2.0
225.07642	2.9
233.51692	1.5
241.05428	19.5
329.06921	10.5
361.16586	5.6
523.20526	56.6
523.28296	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	523.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
70.11825	0.7
71.01363	1.7
101.02420	1.0
120.99636	100.0
125.52581	0.7
140.28044	0.7
145.03004	1.4
166.06343	0.8
174.53589	1.0
178.00952	1.0
181.03218	1.6
181.08690	4.4
193.03310	1.7
208.03729	3.1
211.04364	6.0
220.97330	0.9
223.06015	1.0
299.06091	1.7
306.01251	0.8
343.14093	1.2
458.89304	0.8
460.07272	0.8
481.97064	0.8
523.22034	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	522.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08717	5.3
53.83257	3.7
55.15016	3.7
59.01371	4.5
119.05004	6.9
124.07678	10.9
134.06073	18.5
134.23009	4.4
144.40596	4.3
173.09709	21.1
180.06569	6.3
195.70166	5.1
200.16003	4.8
202.08620	6.0
261.10303	5.9
262.10983	7.6
284.58047	4.6
448.22162	8.0
462.23962	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	522.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71372	1.4
59.01375	3.2
62.18064	1.4
68.73232	1.3
71.46866	1.3
83.14908	1.5
92.15212	1.6
92.19965	2.2
93.03451	7.8
96.04551	3.1
98.06100	6.7
110.06091	1.9
119.04988	6.6
124.07677	17.0
126.35667	1.4
134.06119	20.0
158.09718	2.4
163.03983	6.4
173.09720	14.6
176.25760	1.7
180.06683	11.4
187.12398	2.6
202.08746	3.6
216.10251	2.2
238.46634	1.7
261.10031	8.7
262.10861	10.5
301.67010	1.7
418.25308	2.8
448.22424	6.3
454.07999	1.8
462.24014	100.0
533.13739	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	522.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08307	8.7
60.31868	8.2
72.37488	10.2
84.63683	8.5
89.14269	9.6
92.20028	11.3
104.03304	10.5
137.93309	9.9
177.93066	9.8
200.84981	9.7
205.78345	9.8
225.16275	9.9
249.18553	52.6
275.16641	15.2
293.17465	100.0
325.20197	34.3
381.27881	12.2
461.00314	10.9
522.24518	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3484
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
89.93519	4.1
101.09516	4.6
101.76908	4.6
133.02943	5.8
158.22035	4.9
174.24664	4.2
219.87369	4.4
328.90927	5.3
375.21661	7.0
461.28998	9.8
466.47079	5.9
506.32440	30.0
521.34814	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	522.144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.4
77.51573	0.7
104.04974	0.7
108.03412	0.9
110.59161	0.8
115.90517	0.7
120.01229	100.0
135.04521	1.2
145.02904	0.9
177.05693	0.9
178.00871	1.1
178.06294	1.3
190.08714	1.2
208.03816	1.4
211.04311	1.6
212.17050	0.8
222.05339	5.1
230.57076	0.9
297.07782	0.9
311.09088	3.3
327.12338	1.3
330.94482	0.9
339.81259	0.8
357.13449	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	521.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40219	1.4
66.10926	1.7
79.59188	1.5
109.19177	1.9
119.31411	1.5
132.48784	1.7
134.03726	52.4
137.02434	3.7
137.44597	1.8
149.06073	31.9
150.50850	1.8
173.90259	1.6
178.02701	53.6
189.60239	1.6
193.05061	100.0
200.98219	1.8
309.60794	1.6
521.31012	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03439	0.7
59.01379	100.0
71.01372	10.8
73.02927	4.4
75.00826	0.7
75.82089	0.5
83.01376	2.3
85.02942	8.4
87.00868	0.8
89.02413	0.9
95.01319	0.7
99.00867	2.8
101.02428	10.2
113.02448	5.6
115.07614	1.0
125.02349	0.6
143.03445	0.7
161.04518	1.3
177.23268	0.6
184.76089	0.5
308.69916	0.6
315.25458	1.2
317.26840	1.2
417.23978	0.6
461.31262	32.0
479.32321	8.1
521.22601	2.4
521.33380	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	521.312
Annotation	Unknow
Peak:m/z	Relative Intensity
74.21819	2.2
86.23600	2.4
92.19958	2.4
103.51360	2.5
103.72375	2.3
103.96221	2.2
133.02943	6.1
134.03767	3.6
151.87453	2.8
160.01663	11.2
160.24020	2.6
161.02473	21.4
175.03987	67.4
177.01878	3.1
178.02695	3.1
193.05019	3.3
271.22812	4.1
345.20737	4.2
356.06577	2.7
415.24902	11.5
429.26520	14.0
447.27313	17.7
471.72595	2.5
521.31177	100.0
524.66156	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	521.2758
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
57.03426	1.6
59.01379	93.8
61.98827	3.0
63.74424	1.2
65.91167	1.3
69.11951	1.3
71.01376	36.1
73.02930	27.9
75.00851	9.7
83.01376	9.2
85.02937	23.4
85.03822	1.1
87.00867	6.4
89.02423	13.8
95.01368	6.1
97.02925	1.6
99.00863	7.2
100.93320	1.9
101.02428	41.9
102.67170	1.3
113.02441	31.1
116.92847	21.1
117.92828	5.8
118.92639	2.6
119.03463	1.7
131.03465	1.4
143.03313	1.5
159.02943	2.1
161.04514	6.5
205.43333	1.3
222.50815	1.4
256.83502	1.5
287.20160	43.4
299.17178	1.8
299.20187	15.3
314.54791	1.5
317.21155	16.8
326.57239	1.4
371.22339	1.8
431.24637	10.9
441.24997	2.1
443.24481	2.8
449.25620	1.9
461.25366	21.0
461.31400	4.5
477.27057	5.6
479.26547	16.2
491.26489	2.1
503.26608	8.2
521.12207	2.7
521.21716	15.7
521.28223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2762
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
51.92476	1.5
54.73500	1.7
57.03438	2.2
59.01379	100.0
68.11621	1.7
68.88979	1.5
71.01374	30.4
73.02937	73.8
75.00858	3.2
83.01386	16.7
85.02950	22.7
87.00867	2.3
89.02436	8.6
95.01375	2.8
99.00874	2.8
99.60431	2.0
101.02430	46.6
101.03086	2.4
113.02447	18.4
116.92831	9.7
117.92909	2.1
119.03461	2.6
142.57857	1.7
143.03468	1.7
149.04520	1.8
153.35291	1.7
161.04568	8.9
202.14619	1.9
225.40414	1.9
273.20905	2.6
287.20166	19.0
299.19958	2.7
317.21130	8.3
324.71927	1.8
397.91406	2.2
417.24911	10.3
435.25650	3.0
443.24438	3.6
461.25375	15.2
461.31311	7.3
477.26947	41.1
479.25955	4.3
521.14264	2.2
521.27863	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44032	1.0
55.98466	1.0
57.02195	0.9
58.42561	1.2
59.01377	30.1
60.53556	0.9
71.01372	19.6
72.99301	1.5
73.02942	2.2
75.00875	5.6
83.01357	1.9
83.05003	1.8
85.02945	7.5
86.28757	1.1
87.00851	2.4
89.02422	16.2
91.78957	1.0
95.01357	1.2
96.95952	2.2
99.00885	1.3
100.54865	1.1
101.02429	17.2
109.06557	2.3
109.80851	1.1
111.08125	1.4
113.02441	15.9
119.03466	4.2
121.10172	1.3
127.07642	4.8
130.88156	1.2
131.03510	2.3
137.09714	8.6
139.07642	5.4
153.09203	10.7
162.64624	1.1
167.10776	2.3
170.73701	1.2
173.04637	1.1
173.08165	30.4
191.10750	1.5
195.86548	1.2
203.09236	23.6
255.12460	1.1
280.11163	1.0
323.18622	1.5
341.19760	2.0
359.20779	6.3
521.18695	38.0
521.25989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90557	1.3
59.01377	41.2
71.01368	19.6
72.65646	1.8
75.00871	4.3
75.02637	1.5
82.96519	1.7
83.01383	1.8
85.02948	8.9
87.00858	3.1
89.02428	25.2
94.42261	1.6
96.95988	3.7
99.00896	2.1
101.02419	19.7
104.22402	1.6
111.08157	2.2
113.02427	11.3
119.03447	4.0
135.08156	2.7
137.09694	11.7
139.07614	8.4
142.88017	1.9
149.09688	2.4
153.09215	35.9
167.10757	1.8
173.08188	29.4
197.08185	2.4
203.09276	26.5
209.61157	1.7
222.32335	1.9
310.58832	1.6
323.18701	1.7
341.19815	4.2
359.20950	6.5
521.18695	51.2
521.26001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.252
Annotation	Cognatine
Peak:m/z	Relative Intensity
52.88750	15.8
58.82418	14.4
67.29173	17.7
68.27991	18.2
85.95363	18.1
111.36022	18.4
112.58263	17.7
154.63216	16.9
193.43999	17.8
210.00621	18.8
329.86694	18.3
521.24951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24765	2.0
55.92735	2.0
59.01377	100.0
60.92701	2.0
71.01378	19.6
73.02943	4.5
78.55276	2.3
85.02929	9.7
85.04803	2.0
89.02420	11.8
92.88453	2.1
98.23585	2.6
98.98378	2.1
101.02450	18.1
113.02455	16.5
117.05556	16.1
119.03495	2.7
145.08742	3.2
182.54024	2.1
368.14737	2.7
417.24982	68.0
435.25711	13.1
444.50058	2.7
477.27060	17.8
512.73346	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	521.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21095	11.0
54.14013	10.8
59.01364	22.2
81.97235	10.9
88.31487	11.7
149.06065	100.0
151.03996	58.9
159.06621	13.2
412.09732	11.2
419.28915	13.0
475.20221	11.0
479.64441	11.5
489.19308	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	521.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
69.14219	1.4
69.42413	1.3
74.02470	3.7
85.95657	1.3
96.04539	7.8
110.06077	12.0
116.05039	11.1
124.74254	1.4
137.04845	7.4
142.06564	1.8
157.07681	8.9
163.64558	1.5
186.05368	1.6
192.04318	1.8
197.68048	1.6
203.08237	6.5
207.06570	1.8
232.91115	1.8
262.26743	1.7
268.07385	2.0
284.17621	9.2
298.19260	10.0
324.17218	6.6
342.18198	16.2
427.24936	8.2
471.24039	100.0
485.25745	15.9
503.17136	2.7
521.30359	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	521.2031
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
54.72117	1.3
59.01381	2.0
63.89766	1.6
71.01359	3.1
75.83253	1.5
77.00572	1.4
80.15744	1.6
81.87538	1.4
101.02458	2.0
119.05032	2.5
122.03752	2.0
135.04533	3.4
149.05954	1.8
160.05266	3.6
161.04498	2.5
162.05562	1.7
162.06815	6.7
163.03975	3.4
172.05286	44.7
174.03168	2.4
175.04070	2.1
175.07593	14.4
176.25456	1.5
178.02760	2.3
178.06407	2.5
184.64272	1.7
187.05949	3.3
187.07646	100.0
190.06378	16.8
192.04364	2.5
193.05035	6.8
204.07921	2.7
205.08669	23.1
208.07361	1.7
218.09882	2.1
293.08362	2.4
296.10492	3.2
299.12827	10.4
311.12924	6.3
323.12842	9.1
329.13977	13.8
341.13934	67.7
343.15555	10.1
359.11343	1.8
359.15170	15.3
491.19479	12.2
503.19308	36.4
521.19983	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	521.2035
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.44958	6.7
53.21352	5.7
59.01384	100.0
71.01366	67.8
71.28920	6.8
77.49753	7.2
85.02936	11.3
89.02435	80.3
101.02433	29.6
113.02433	28.9
119.03493	8.8
130.67319	7.0
153.05461	6.7
170.49725	8.0
179.05611	18.1
208.03754	11.2
223.06075	12.8
299.08362	8.4
341.14026	8.1
342.76489	7.8
391.11911	10.1
397.26166	7.8
521.20062	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
55.83666	0.7
58.55784	0.7
59.01359	0.8
61.98855	0.9
68.77303	0.8
71.01382	0.9
80.58347	0.7
85.02981	0.8
85.81478	0.8
121.02891	1.2
136.05310	1.5
159.04482	3.3
160.05275	20.6
161.04524	0.9
161.06079	3.0
163.04028	1.5
164.04770	1.9
173.06110	1.2
174.06873	3.2
175.07629	36.7
177.05521	1.4
177.31078	0.9
178.06352	21.0
180.76619	0.8
192.07910	19.3
193.08670	6.2
221.39853	0.8
314.11667	1.2
329.13962	100.0
359.15060	12.2
424.37701	0.9
491.18240	0.9
521.26306	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05953	1.6
55.34034	1.6
59.01376	59.8
62.29994	1.6
69.01241	1.7
71.01374	4.8
72.44962	1.9
73.02936	3.7
82.21023	2.0
87.00842	10.9
89.02431	8.2
101.02422	12.3
113.02444	2.5
119.03487	4.1
125.27659	1.9
126.60783	1.9
141.26083	1.8
151.07610	3.3
152.47920	1.9
153.09200	29.4
213.80875	1.9
269.11813	100.0
281.11813	20.0
299.12714	3.2
322.51587	2.0
323.09756	2.2
373.12741	2.4
521.18689	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
55.69684	1.4
59.01381	3.6
68.06239	1.6
70.30451	1.4
72.02275	1.8
148.05280	3.5
153.74797	1.5
160.05272	11.4
161.06053	3.5
162.03224	2.8
162.06819	2.2
163.04060	2.2
172.05281	30.2
174.03291	3.8
175.07658	18.6
175.48381	1.8
178.06352	10.7
187.07645	80.7
190.06340	22.5
191.07193	2.9
193.05035	6.3
205.08632	14.0
208.07420	2.4
249.02335	1.6
284.10712	1.9
285.98059	1.8
296.10553	3.1
299.12802	7.7
308.10440	2.3
311.12927	3.8
323.12994	8.8
329.14282	12.5
341.13968	19.4
359.15005	100.0
359.19504	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	521.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32124	0.7
59.01116	1.2
59.01381	17.2
63.03514	0.7
66.77286	1.0
71.01375	12.4
73.02933	3.6
75.75860	1.0
82.38908	0.9
85.02937	4.5
87.00874	14.3
89.02437	14.0
99.00864	1.5
101.02431	22.7
113.02426	8.0
119.03481	5.3
121.02954	0.9
125.02428	1.0
136.05293	1.9
143.03456	2.2
149.02376	1.2
153.09196	47.3
159.04491	3.9
160.05302	17.1
161.04483	3.5
161.05989	1.2
163.03960	1.0
164.04752	4.0
167.10730	1.8
173.06111	2.0
174.06833	1.5
175.07634	42.3
177.05557	5.4
178.06358	23.9
187.07671	2.2
192.07910	16.8
193.08678	5.4
197.08173	1.4
276.31021	1.0
314.11411	1.3
323.09940	11.2
329.13947	100.0
359.15018	22.2
389.49384	1.0
412.53156	1.1
500.90482	1.1
507.21588	1.0
517.44135	1.0
521.18738	96.7
521.25470	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	521.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25879	1.3
55.81417	1.4
57.47625	1.2
59.01381	16.0
71.01367	17.0
72.36209	1.3
72.99275	2.7
73.02934	1.6
75.00881	14.3
76.24058	1.3
77.84320	1.6
83.01305	1.6
85.02939	19.4
87.00865	3.6
89.02435	9.1
95.01374	2.4
99.00842	8.0
101.02426	6.2
103.00319	1.4
113.02431	27.6
115.00347	2.8
121.10192	2.4
173.04552	3.2
175.02414	1.8
193.03482	2.9
195.06619	1.6
235.04602	2.4
310.44202	1.5
315.36993	1.4
343.09970	1.8
426.17047	1.7
503.17938	1.7
510.02499	1.6
521.18756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92228	2.0
58.79797	2.0
58.80088	1.9
59.01376	22.8
71.01360	13.1
73.02917	4.2
85.02879	2.3
87.00875	20.8
89.02416	13.0
101.02419	21.7
113.02400	9.0
119.03497	3.8
135.08083	2.3
136.18716	1.9
139.11307	4.0
153.09203	52.6
160.05240	3.5
167.10777	2.7
175.07660	14.0
178.06323	3.9
192.07991	2.1
195.75394	2.0
216.12135	2.1
323.09705	9.3
329.10254	3.6
329.13931	35.5
344.13141	2.1
359.15189	16.1
477.19641	2.4
521.18701	100.0
521.26550	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	521.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01382	22.1
59.09674	1.2
59.66171	1.1
60.47611	1.1
63.46016	1.2
64.72665	1.3
65.98809	1.2
66.61880	1.1
67.81952	1.2
71.01371	21.8
72.99303	2.3
73.02930	2.0
75.00863	13.0
75.36958	1.3
83.01368	2.3
85.02930	19.5
87.00858	7.1
89.02425	8.5
95.01348	2.2
97.02938	2.2
99.00874	6.7
101.02441	10.4
103.00356	1.6
113.02428	26.7
117.01862	1.9
119.03456	2.1
121.10186	2.2
165.09018	1.5
173.04575	5.6
175.02570	1.8
193.03482	1.8
213.07660	2.7
235.04587	2.4
314.37830	1.8
345.15652	2.4
521.18811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81355	2.3
59.01382	8.7
63.28773	2.1
65.00848	2.0
67.78579	2.2
69.61996	2.3
73.43394	2.3
75.00874	17.7
80.44307	2.1
87.00865	36.5
87.49133	2.4
92.19392	2.7
92.89043	2.3
95.23593	2.2
100.80791	2.6
139.98022	2.4
164.04770	11.7
167.17986	2.3
179.05470	2.1
179.07158	13.6
194.02260	2.5
208.03780	47.7
209.04506	13.4
223.06126	100.0
393.80109	2.8
458.61697	2.2
521.16608	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
72.53342	1.9
92.19924	3.8
107.05032	18.7
123.28130	1.9
128.79630	2.1
134.03693	3.4
135.04521	100.0
151.03978	1.9
160.05304	23.6
165.05527	14.0
178.02728	3.0
179.43710	1.7
186.11099	1.8
193.05095	2.6
243.51254	2.1
284.52457	1.9
291.06741	4.8
292.07452	4.1
294.05081	1.9
295.05856	6.4
304.42032	1.9
307.06122	11.9
309.07751	10.3
309.11047	2.5
310.08472	11.3
324.10391	2.1
325.10800	13.9
337.10736	23.0
388.85382	2.1
443.15076	13.1
455.14838	3.1
473.16287	20.0
484.70148	2.3
503.17770	2.1
521.18085	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	521.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85366	2.6
56.65415	2.4
58.02968	7.1
59.01361	3.3
68.98696	3.5
71.01350	4.3
74.02466	24.6
82.02974	4.1
83.01364	5.5
86.02450	2.8
86.92130	2.9
96.04523	7.2
96.95988	15.6
97.04054	18.0
98.02486	4.2
99.05618	11.3
100.00388	13.1
101.02431	6.6
101.71880	3.2
105.90793	2.8
105.99677	26.8
108.02147	3.6
108.04530	12.5
112.04044	12.2
112.07669	7.0
116.91531	3.0
122.41734	2.7
124.04020	17.9
125.04822	11.5
126.05579	17.4
127.05135	28.6
140.07178	34.7
143.04587	4.1
151.05055	5.3
152.03539	14.0
155.08244	46.8
165.06680	45.0
175.03934	3.9
181.06155	12.5
182.02225	3.0
183.07713	44.3
207.30280	3.2
215.06696	7.3
225.05115	3.6
227.06735	63.2
242.05881	13.9
259.03864	50.9
261.02731	3.8
261.05490	100.0
271.09741	18.7
324.78491	2.8
521.10144	79.3
521.18677	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	521.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67706	0.6
96.95998	7.7
123.00850	4.6
128.50790	0.7
130.25357	0.7
138.03212	10.5
141.77507	0.7
153.05550	7.7
166.99840	5.2
182.02199	76.4
197.04550	100.0
521.15094	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	520.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34377	1.1
59.01387	17.7
61.98827	1.4
70.96982	1.3
71.01353	1.5
73.02898	1.4
79.69168	1.3
84.08168	5.8
93.03434	55.6
127.71559	1.2
129.95911	1.3
130.08716	100.0
137.02429	84.7
137.03502	1.9
157.13451	5.3
180.13968	2.3
181.09865	7.2
197.16582	76.5
209.14192	3.2
224.13033	1.4
225.08792	1.9
236.32816	1.4
253.19211	3.2
268.14276	6.0
274.22449	1.4
288.81006	1.4
292.12863	1.3
338.28156	30.1
382.27103	46.2
400.24271	2.3
460.26367	6.4
520.30316	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05404	2.3
59.01374	18.7
61.98825	12.6
62.24706	2.6
63.54346	2.7
67.18578	3.0
72.00892	5.3
73.23885	3.1
80.60392	2.9
83.02507	21.8
93.03461	10.9
107.31109	2.9
114.52805	3.3
116.05002	3.3
116.07166	15.0
118.06620	5.9
119.04993	31.5
134.06081	12.9
146.06140	5.3
155.08257	12.9
161.07224	6.5
162.05595	7.0
163.04024	38.5
171.05479	4.9
180.06659	100.0
189.06683	20.3
191.30821	3.0
200.05962	18.2
204.12648	3.9
205.13458	5.6
214.12428	3.7
223.08780	5.9
237.10332	3.9
243.11310	32.9
249.12314	3.9
252.12505	4.7
256.14624	3.7
261.12457	48.4
294.74094	3.5
295.18140	56.5
299.74115	2.7
339.17133	51.8
357.24237	3.0
413.21674	6.0
414.20483	5.8
482.66739	3.1
520.24573	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
64.63240	2.1
71.01379	17.3
73.02970	7.5
74.87741	1.9
78.82991	2.7
79.61910	2.2
83.01378	3.1
85.02946	4.8
90.00096	2.1
91.03985	3.9
97.06576	30.3
101.02435	14.1
113.02428	9.2
129.09256	2.2
143.10754	8.9
161.04575	4.0
169.12320	4.7
175.92992	2.5
191.62625	2.6
201.49037	2.1
243.19635	11.7
274.96078	2.2
287.21927	3.1
341.27020	38.2
383.28033	7.7
393.63754	2.3
441.15726	9.0
459.22418	11.8
475.32813	22.8
477.23553	2.5
519.18018	3.5
519.24805	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	520.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19450	1.4
54.73668	1.3
59.01381	55.3
61.98830	100.0
62.22631	1.6
69.23111	1.5
71.01382	7.1
85.02934	1.9
101.02430	9.6
113.02465	3.0
113.93103	1.6
232.68617	1.8
353.19830	3.9
371.20551	2.8
413.21793	45.6
452.83215	1.8
465.38489	1.7
520.26563	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	519.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16682	0.9
59.01381	24.8
71.01370	5.4
72.80750	1.1
73.02920	2.1
85.02920	4.7
101.02416	5.9
113.02457	2.6
133.05305	16.3
134.06105	37.9
139.08733	4.5
160.04068	2.5
187.05176	16.4
197.79851	1.1
200.05959	6.4
213.14122	1.3
216.05344	1.8
235.90143	1.1
245.12930	2.4
245.16725	1.4
247.14505	100.0
257.12964	10.6
273.12350	2.2
320.23331	1.2
392.19867	7.2
419.18524	2.4
459.26083	2.7
472.51260	1.2
475.25394	19.2
487.07135	1.3
509.88464	1.7
519.29761	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.2
62.81514	0.8
68.83983	0.8
69.58938	0.9
71.01375	1.5
83.18700	0.9
85.02914	1.6
86.79195	1.0
91.58395	1.0
93.03468	1.1
101.02411	1.7
113.02457	1.0
118.06593	1.5
119.04994	1.2
125.34052	0.9
133.05336	13.5
134.06107	41.0
139.08760	4.2
143.11827	1.3
145.05983	0.9
160.04010	4.6
161.13734	1.2
171.05588	1.6
185.04997	1.5
187.05133	21.7
200.05898	4.0
213.13853	2.8
214.12402	1.0
227.16319	1.1
245.12973	1.6
245.16508	1.2
247.14508	100.0
252.69633	1.1
257.12906	11.0
261.16171	1.4
273.12418	1.7
342.15417	1.1
392.19812	6.4
399.23392	1.5
419.18655	7.5
459.25922	1.2
475.25436	3.6
501.28763	1.6
519.29779	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88581	1.1
59.01377	49.0
70.25577	1.1
70.86346	1.0
71.01363	6.0
73.02908	2.7
85.02915	1.5
89.02415	2.8
89.63115	1.1
91.10487	1.3
93.03455	1.4
95.86987	1.3
101.02420	8.4
113.02403	2.5
116.92806	1.3
118.06590	1.4
119.05039	1.5
133.05321	15.1
134.06113	37.1
139.08734	2.6
140.07169	1.6
160.04041	2.4
187.05116	20.4
200.05864	4.9
213.13937	5.9
214.12347	1.2
220.13286	1.3
230.11893	1.5
245.12988	2.3
247.14499	100.0
257.12970	14.5
262.08640	2.0
273.12534	3.0
336.14139	1.4
390.16080	1.4
391.08905	1.4
392.20001	2.4
399.23792	5.9
415.23300	1.3
417.24854	4.8
419.18588	8.4
433.24210	1.4
459.25766	13.2
475.25421	12.3
519.29749	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10798	0.9
59.01374	26.2
68.45573	0.9
71.01358	2.1
73.02933	2.2
74.02473	4.3
77.55476	1.0
83.56665	0.9
85.02956	1.7
89.02428	5.6
93.03436	1.4
96.95993	1.0
101.02435	5.8
101.07209	7.1
113.02400	2.4
115.08751	15.6
116.07136	1.1
119.03448	1.5
119.05001	7.2
134.06137	5.2
136.07640	2.1
141.06700	15.2
151.04027	4.4
155.08289	4.1
163.03998	4.1
165.13976	2.0
173.09286	5.4
180.06635	33.9
208.14514	1.3
209.12968	6.0
212.13966	2.3
233.12854	1.2
235.14511	34.2
260.11624	1.4
261.12405	1.7
279.13480	11.3
329.18710	1.1
330.14584	14.0
345.15079	1.2
346.21381	10.8
354.64407	1.4
379.67776	1.0
390.20398	2.5
391.18839	1.1
415.23416	8.2
475.25790	12.2
476.70432	1.3
519.28271	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	519.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
63.58168	0.5
64.72044	0.5
68.24352	0.5
71.01360	2.4
73.02933	0.9
75.00878	0.6
85.02924	2.1
87.00851	2.2
89.02415	1.2
96.96002	0.6
99.92570	0.7
100.93365	2.4
101.02441	3.1
113.02444	2.0
115.92052	3.3
116.92838	24.8
119.03479	0.7
134.06073	1.2
187.05139	0.6
247.14510	4.2
352.78912	0.6
399.23926	2.4
417.24731	2.8
459.25626	9.4
475.25375	2.3
519.12170	7.4
519.30054	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	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92850	0.5
59.01377	100.0
62.93715	0.5
65.39677	0.4
68.68577	0.4
71.01377	3.5
73.02941	4.7
73.60482	0.5
75.05407	0.5
78.39831	0.6
83.01408	0.5
85.02918	0.7
87.00873	0.8
89.02449	2.3
91.99017	0.4
101.02429	4.8
104.93546	0.6
113.02449	2.2
117.05407	0.5
119.42300	0.5
135.45111	0.6
194.86171	0.5
247.14656	1.1
332.87149	0.5
392.71463	0.6
399.24084	2.3
417.25098	2.9
459.25797	8.5
519.29358	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64943	1.7
54.76583	1.8
56.10596	2.0
57.02349	1.9
59.01379	90.9
71.01369	47.8
72.99295	9.2
73.02935	18.3
79.67952	1.9
81.65848	2.3
83.01373	9.3
85.02931	18.0
85.23724	2.0
88.52246	2.4
89.02449	20.5
95.01365	4.7
97.02939	5.5
97.06567	4.7
99.00858	4.4
101.02437	41.4
102.98608	4.4
103.03970	2.2
113.02428	22.9
125.02427	8.4
143.10759	3.6
161.04539	14.7
165.09238	3.0
228.49162	2.6
341.27036	11.1
388.91306	2.6
459.22391	100.0
475.32526	9.4
477.23691	16.1
519.24622	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	519.2615
Annotation	Lotusine F
Peak:m/z	Relative Intensity
50.92847	1.3
59.01377	10.8
60.24022	1.4
63.78508	1.3
64.80113	1.4
74.02471	6.7
92.45385	1.5
116.05043	16.3
124.07652	8.1
159.09267	2.8
168.06868	1.4
174.45493	1.6
192.12595	1.7
201.10094	1.7
203.08278	15.4
235.14525	6.7
269.49319	1.6
328.68961	1.6
334.56406	1.6
341.26819	1.9
390.20279	1.8
428.01523	1.5
475.32974	1.9
519.26215	100.0
523.58020	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	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91168	1.4
51.31189	1.4
55.01884	2.4
57.03432	2.5
59.01376	53.3
71.01371	42.4
73.02933	18.0
78.37636	1.7
78.95898	15.6
80.32151	2.0
83.01369	11.9
85.02939	26.3
89.02426	7.4
92.19909	2.4
95.01353	3.8
96.95995	70.2
96.96931	30.7
99.00862	7.2
101.02428	54.3
113.02430	27.9
115.62449	2.0
119.03490	3.1
161.04538	12.7
264.29089	2.3
315.18195	3.9
416.06381	2.3
477.23395	28.7
519.24445	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	519.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98828	3.9
62.73378	2.1
71.01381	20.5
71.57476	2.1
72.29062	2.2
73.02967	16.5
73.73503	2.1
75.10963	2.5
85.02924	9.7
89.02416	11.9
95.01358	3.3
101.02433	19.4
113.02441	18.2
113.28726	2.4
127.05115	2.8
159.41165	2.3
164.26831	2.1
165.05528	30.5
165.78313	2.6
181.58020	2.4
271.06906	2.4
271.09607	20.3
297.11221	9.5
341.19620	4.6
415.23404	78.6
433.24454	4.2
475.25858	21.9
519.24500	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	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90060	0.9
55.01883	1.7
57.03448	1.3
59.01377	100.0
71.01383	17.3
73.02932	9.9
83.01387	1.8
84.02040	1.0
85.02953	11.2
87.00880	2.0
89.02433	8.5
89.04047	1.1
92.04798	1.1
95.01423	1.6
99.00842	1.8
101.02427	19.2
110.05636	1.1
110.13241	1.0
110.42673	1.2
113.02409	15.5
119.03475	1.5
133.05260	1.2
134.06114	2.1
161.04597	1.3
167.13618	1.2
247.14487	9.5
263.71713	1.2
399.23856	16.6
415.23331	2.7
417.24969	6.0
433.24475	6.2
459.25958	25.5
475.25488	83.0
519.29834	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	519.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83309	2.1
57.03458	3.0
59.01376	67.6
71.01372	56.5
73.02929	15.9
83.01366	13.2
85.02942	32.9
89.02446	10.5
95.01350	3.0
99.00845	5.6
101.02433	65.3
108.01543	3.1
109.14844	2.6
113.02428	29.6
125.02453	3.4
161.04539	15.3
267.00494	2.5
315.18246	3.9
364.71954	2.8
477.23184	34.0
519.24487	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	3.9
59.01379	100.0
60.62133	1.9
61.06734	1.8
71.01363	16.0
72.46661	2.0
73.02921	4.7
85.02946	3.5
89.02425	11.9
99.21288	2.1
101.02428	20.3
110.28239	2.0
112.66080	2.0
113.02391	5.4
119.03449	2.7
161.04547	4.4
189.12787	2.6
192.06526	2.8
219.14000	14.7
235.08492	2.9
399.20300	28.6
416.88382	2.3
417.21194	10.0
459.22360	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44290	0.9
52.82862	0.9
57.32459	0.8
59.01376	100.0
62.63639	0.8
64.27184	0.9
68.51379	0.9
71.01369	11.4
73.02935	4.1
77.82412	0.9
83.71032	0.8
85.02938	2.1
89.02430	5.8
96.95983	5.4
101.02415	12.6
113.02413	5.1
119.03413	2.2
131.07153	1.8
133.02882	1.8
161.04529	1.6
181.12335	1.3
189.12924	1.3
191.05971	1.0
201.12845	1.3
204.43170	0.9
215.14398	1.3
219.13878	7.0
235.08234	1.4
278.04010	1.1
318.75845	1.0
321.16989	1.6
399.20178	19.4
417.21353	6.9
459.22397	26.4
519.13501	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.8
59.01377	100.0
69.03457	2.0
71.01369	52.1
72.99296	2.6
73.02927	21.0
75.00832	2.1
76.72656	1.5
83.01365	12.8
85.02943	43.1
87.00874	7.2
89.02418	17.8
95.01395	2.8
97.02917	2.6
99.00884	3.5
101.02433	55.6
106.04371	1.7
113.02426	30.9
119.03448	2.8
124.01622	9.7
125.02429	9.2
143.03461	9.1
153.12842	4.0
159.02893	2.0
159.72556	2.0
161.04564	21.4
198.96956	1.8
247.14496	2.9
315.17984	2.5
329.28043	2.0
357.18951	2.9
394.39096	2.2
405.56680	1.9
433.24420	9.3
459.22055	23.5
475.25452	33.0
477.23370	47.6
500.04730	1.8
505.21634	1.8
519.24280	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51082	1.1
59.01376	100.0
71.01359	12.4
73.02923	5.8
73.27553	1.2
78.56704	1.2
85.02939	5.7
87.00861	3.0
89.02430	6.3
92.19960	2.0
99.00815	1.4
101.02424	7.2
111.08181	1.4
113.02435	11.2
119.03406	1.6
127.11261	1.5
133.05318	2.9
134.06104	10.0
138.03250	2.9
143.03471	1.5
153.05540	2.4
155.10698	2.3
160.04030	1.8
183.17503	2.1
184.84904	1.3
187.05182	3.0
215.03610	1.6
227.16531	66.7
230.05757	4.9
243.06560	1.7
247.14510	31.3
253.18047	6.6
257.08212	1.7
257.12952	2.6
271.19370	2.0
284.03128	1.9
299.05725	2.4
313.07257	10.6
316.76682	1.4
320.92776	1.5
338.07990	2.5
339.08701	7.2
351.08627	6.8
353.10175	3.1
354.10834	2.0
365.10577	1.7
366.07333	1.7
367.11761	7.0
369.13516	2.1
381.09601	13.9
381.13910	2.4
396.12222	2.2
411.09811	9.8
411.14700	8.7
415.23199	6.2
419.18787	1.8
426.13135	5.5
433.24411	18.7
441.15616	21.8
459.16858	2.0
459.25446	2.8
471.16760	11.7
475.25516	80.9
486.15253	5.5
501.17615	21.6
519.18750	34.7
519.29865	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	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43727	1.9
53.34556	1.7
54.65192	1.8
56.73933	2.1
59.01378	100.0
66.10807	1.8
70.77557	2.2
71.01371	38.1
73.02935	17.9
73.29865	2.1
75.00802	2.4
83.01376	4.5
85.02949	18.1
89.02418	9.8
95.01330	3.2
96.95996	10.0
99.00864	3.6
101.02427	41.5
113.02417	28.5
116.92869	3.6
119.03520	4.4
124.70432	1.8
161.04588	9.5
169.75282	1.9
221.06537	2.2
441.15552	3.4
459.24686	3.3
475.25610	10.5
477.23535	18.4
519.24487	69.3
519.32001	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	519.1874
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.73409	0.7
54.60675	0.7
59.01373	9.8
71.01376	5.2
85.02962	1.0
89.02436	3.4
92.19326	1.3
93.04166	1.0
98.22910	0.9
101.02412	2.1
134.36465	0.9
136.00726	1.0
136.01642	25.3
151.03993	100.0
161.04602	1.0
175.41707	0.9
329.36838	0.9
339.12314	1.3
342.11066	5.2
357.13449	62.1
358.47052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04097	11.9
65.68418	1.2
67.82690	1.4
70.18334	1.3
71.01372	19.8
76.07249	1.5
82.04083	1.5
97.02933	24.7
100.85870	1.7
115.17031	1.5
118.43617	1.7
122.09749	3.1
125.06056	47.3
147.09326	2.4
149.06073	6.5
151.59959	1.4
151.76280	1.4
164.11906	6.7
166.08719	9.6
169.05040	3.4
201.90619	1.9
208.10921	38.8
237.13788	1.6
252.09904	100.0
327.37793	1.7
334.55301	1.5
365.30090	1.7
370.26523	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43016	4.7
55.53246	5.5
59.01379	100.0
70.67339	6.5
70.84661	6.2
73.16856	6.3
81.23007	6.3
166.02678	48.6
181.05089	13.5
203.03479	31.2
218.05782	42.2
233.08134	31.0
293.10522	10.1
320.82593	6.5
399.14505	41.4
409.52408	7.1
501.47989	7.6
519.18494	54.4
531.67310	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	519.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45284	0.7
56.73021	0.9
59.01379	21.8
62.29988	0.8
64.16490	0.9
64.62448	0.8
71.01366	7.1
73.02932	20.2
77.71926	0.8
83.01371	2.2
83.82306	0.9
85.02939	5.3
87.00858	2.0
89.02439	4.1
89.31348	1.0
93.03440	1.4
101.02438	11.9
106.04217	4.1
107.05003	3.9
108.02100	1.3
113.02447	2.4
119.04995	1.5
122.11588	1.0
145.06543	1.4
146.82898	1.0
147.08159	8.2
173.06084	8.5
189.05615	1.0
191.34976	1.0
237.09088	1.4
237.74614	1.0
244.88580	1.4
253.12257	1.2
279.10297	7.8
297.11325	100.0
345.15598	6.0
419.96088	1.0
519.18689	44.2
519.26160	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	519.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16941	3.5
52.75640	3.5
53.34546	3.2
57.18362	3.8
57.43281	3.6
59.01377	100.0
65.86301	4.0
104.20562	4.4
118.57939	4.9
257.47202	4.3
262.34543	4.7
267.08685	5.8
284.61215	4.5
544.41547	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	519.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.06501	1.4
61.67035	1.4
68.09372	1.3
71.01369	3.5
87.00867	3.2
89.02426	2.3
96.95999	13.0
100.93337	1.9
101.02431	6.5
106.54747	1.5
113.02441	3.1
115.92037	1.9
116.92847	27.1
133.05344	11.3
134.06122	27.3
153.05605	2.1
160.03993	2.2
187.05185	16.9
227.16470	6.8
247.14511	68.5
257.12930	9.1
261.16116	2.0
262.08585	1.8
273.07419	1.8
273.12323	1.9
313.07214	7.2
338.07733	2.0
339.08685	2.9
351.08548	6.8
353.10162	2.0
367.11731	2.1
372.82126	2.0
381.09720	12.4
392.19641	2.9
396.12781	1.9
411.10767	9.1
411.14954	6.0
419.18372	3.3
433.24347	3.5
441.15439	15.1
459.16605	2.1
459.25848	2.0
471.16724	13.8
475.25208	15.7
501.17435	13.1
519.11829	5.5
519.18805	18.0
519.29761	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1872
Annotation	Tetracentronside B
Peak:m/z	Relative Intensity
59.01090	3.4
59.01378	100.0
60.39059	1.7
61.97029	1.9
74.02466	2.8
83.30379	1.9
89.14801	1.5
94.23138	1.8
116.05038	7.8
124.07613	2.6
129.59212	1.9
164.97562	1.9
194.32635	1.7
203.08315	8.6
259.32767	2.0
313.07257	3.9
336.06354	3.8
339.08649	2.7
351.08652	10.6
353.10257	3.3
366.11234	3.0
367.11844	2.6
381.09390	6.9
381.13498	10.3
383.11258	4.2
411.10892	3.0
441.15820	23.8
471.16559	11.9
486.15259	2.8
501.17487	10.6
519.18597	44.1
519.26184	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41843	1.0
54.69962	1.0
57.03452	2.0
59.01376	100.0
59.37079	0.9
60.57261	0.9
68.18337	1.0
71.01371	20.5
73.02937	9.1
73.03275	0.9
85.02935	23.0
87.00853	12.7
89.02420	23.1
95.01354	1.2
101.02434	14.9
102.44115	1.0
107.52024	1.3
111.00855	2.6
113.02452	13.8
119.03452	4.3
121.10227	9.3
143.03470	1.6
179.05621	1.9
192.49901	1.1
199.06398	1.2
345.15500	42.6
399.24048	2.0
415.23535	9.0
431.96964	1.1
433.24301	1.6
459.26114	20.3
475.18219	5.4
475.25351	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	519.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
58.02968	8.2
59.01369	8.8
59.60500	1.2
67.88218	1.3
69.94530	1.2
71.01356	2.3
73.02946	2.6
83.01357	2.3
87.25903	1.1
89.02426	62.7
92.19999	3.4
96.95995	37.9
100.04031	35.0
101.02435	5.4
112.04035	1.8
113.02431	1.9
138.05623	6.7
142.05089	3.0
154.05093	2.6
166.05025	4.8
184.06096	7.3
193.04999	2.2
202.07198	4.6
212.21588	1.4
232.08447	1.7
256.08298	5.7
274.09241	14.9
279.01270	1.3
356.22690	1.2
459.16367	1.9
477.17252	2.1
488.36908	1.2
488.52328	1.3
519.18280	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	519.1174
Annotation	circumpyrene
Peak:m/z	Relative Intensity
52.33527	0.4
59.01374	7.4
71.01363	2.6
73.02938	2.0
84.93848	1.0
85.02941	1.2
87.66695	0.5
89.02428	0.7
91.25889	0.5
96.95992	0.7
99.00848	2.0
99.92562	6.1
100.92742	0.9
100.93347	14.2
101.02422	2.9
115.92052	13.6
116.92839	100.0
121.02934	2.6
127.11349	0.7
140.92897	0.8
142.94431	2.1
156.92279	0.6
158.93858	1.0
183.94624	0.6
184.91829	0.5
227.16486	0.9
415.10590	2.8
433.11780	2.4
457.11920	0.9
475.12766	4.2
475.25467	2.7
483.10065	0.6
519.11743	31.1
519.23944	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	519.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26922	1.0
59.01376	14.5
71.01381	2.6
73.02916	1.7
85.02959	1.5
86.56882	1.0
87.00862	1.3
88.98778	1.8
89.02424	4.5
92.42946	1.1
95.13329	1.1
101.02423	2.6
109.02937	19.5
113.02402	1.1
129.03412	1.5
135.04535	4.2
137.02454	1.1
143.05533	1.3
145.02940	2.1
146.03665	1.4
147.04514	40.3
149.02345	1.2
155.75429	1.1
157.02931	3.9
159.03264	1.6
159.04501	21.9
161.04503	1.4
173.02505	1.3
175.04004	2.0
179.05540	1.3
185.02386	7.4
186.14830	1.1
201.02063	1.2
203.03503	1.4
219.96970	1.0
221.06027	1.4
229.01389	48.1
239.07292	1.8
249.05560	5.6
250.06241	1.4
267.06613	26.0
269.08252	10.9
277.05066	15.6
278.05817	1.7
280.03766	1.3
293.04544	6.9
294.05377	5.2
295.06085	32.9
295.09076	2.1
313.07114	1.9
339.05099	100.0
375.71707	1.2
459.22559	1.4
475.12616	2.1
519.11371	7.9
519.20624	2.2
537.61371	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	518.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26701	1.6
59.01376	51.2
61.98828	100.0
71.01374	11.0
73.02939	17.6
83.01376	2.4
85.02927	1.6
86.18327	1.6
89.02399	4.0
89.19724	1.9
94.28806	1.6
101.02432	17.3
113.02414	6.9
124.19436	1.8
137.09647	1.9
149.04532	3.3
161.04520	10.1
182.55603	1.6
209.88832	1.6
221.06657	6.9
221.65862	1.7
269.07916	2.4
270.08496	7.1
288.60178	1.8
411.20410	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02959	1.8
57.03444	3.6
73.02939	4.3
80.95655	1.8
83.01368	3.8
85.89610	1.8
91.04001	3.5
91.55748	1.7
101.02410	9.1
107.25928	2.2
157.05080	3.1
175.06110	38.3
193.07172	5.0
237.86766	2.0
255.23294	100.0
363.94269	2.1
413.28958	11.8
431.30142	98.7
459.29431	4.7
518.36969	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	518.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26650	2.3
51.32982	2.3
51.50201	2.9
55.59844	2.3
59.01377	100.0
61.69072	2.7
71.45548	2.6
83.01382	16.7
101.02432	2.9
138.45018	2.6
152.66052	2.8
157.27249	3.4
175.06122	25.8
195.80098	2.6
199.40685	2.8
241.21718	97.2
267.71686	3.3
399.27573	6.6
417.28589	39.9
419.82822	3.1
444.33456	3.2
459.29654	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33506	0.4
51.90846	0.3
59.01369	4.0
60.37565	0.4
68.08829	0.4
70.95296	0.4
71.01354	1.0
73.02900	0.7
73.43693	0.4
78.27006	0.4
85.02934	2.3
87.00877	0.5
89.02419	0.6
101.02410	1.7
106.06607	100.0
113.02441	0.5
114.58904	0.5
128.03572	0.7
139.19810	0.5
142.03290	0.4
150.05586	76.9
152.03513	7.9
164.07156	0.9
175.46927	0.4
192.06639	3.0
194.04591	2.1
222.69519	0.4
225.05833	0.5
470.01138	0.5
474.15875	0.8
518.15118	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00953	4.5
59.01379	100.0
62.22863	3.6
71.13481	3.9
72.24046	3.9
75.97643	4.1
78.95909	9.1
155.14365	4.9
161.34949	4.5
198.76527	4.7
249.93398	4.4
251.88852	5.0
412.59189	4.4
426.66364	4.6
455.34174	5.8
457.35370	49.1
517.27539	4.0
517.29211	4.8
517.37494	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.5
61.79947	0.9
71.01354	1.6
74.37297	0.8
85.02944	1.3
101.02419	1.9
103.39351	0.8
106.06609	100.0
113.02456	1.2
117.25417	0.8
122.03725	2.0
128.03465	1.0
146.15208	0.9
146.86862	1.0
150.05585	78.4
152.03514	62.3
164.07185	1.2
192.06602	1.5
240.71181	0.9
296.55402	0.9
369.03143	1.0
468.64240	1.1
518.15118	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3175
Annotation	Bartogenic acid
Peak:m/z	Relative Intensity
52.58378	5.7
62.74062	6.3
66.04711	6.9
95.22829	7.0
132.81267	7.1
147.54243	7.4
150.14255	7.0
439.28293	13.0
455.31613	42.0
473.32474	8.6
517.31854	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	517.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30402	1.8
53.11171	1.7
53.35000	1.9
54.31317	1.7
65.05735	2.2
67.66253	1.8
98.19602	2.2
137.04826	4.7
195.13232	2.0
283.13715	2.4
319.97205	2.3
339.58023	2.1
381.61243	2.6
437.29834	2.8
441.30243	4.3
450.42099	2.1
499.17435	2.4
499.30728	12.3
517.19373	3.0
517.31757	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	517.3169
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
50.00752	1.2
55.82490	0.9
56.33138	1.1
59.01374	1.5
61.27230	1.1
62.24710	1.0
65.72385	1.0
68.44128	1.0
71.04987	1.3
76.02717	1.0
96.93037	1.2
111.00852	1.9
134.71208	1.1
138.93004	1.1
171.48810	1.2
195.75714	1.1
377.28873	1.2
437.30692	17.3
455.31674	8.2
517.19269	3.3
517.31665	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	517.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	42.4
61.98829	46.3
66.93078	4.9
68.85178	5.1
92.19396	6.2
133.54393	6.0
162.88263	5.5
270.12411	6.4
285.20758	5.8
324.28796	6.1
339.25366	35.2
431.29916	19.8
473.31189	100.0
517.28235	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	517.317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06759	3.5
59.01376	4.5
68.08366	4.7
71.32060	4.1
72.77624	5.3
124.33882	5.0
138.35295	4.7
143.55199	5.0
185.12852	5.2
187.86522	4.6
437.30859	5.9
455.31754	8.3
473.32724	93.4
517.31897	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	517.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.7
62.86084	1.3
66.32109	0.8
71.01363	3.9
72.04550	2.0
73.02934	18.9
80.12510	0.9
83.05000	1.4
84.04521	1.6
89.02410	1.2
98.06075	1.7
101.02412	2.2
101.07137	1.3
109.04062	1.4
113.02414	1.6
127.05110	17.2
128.03531	2.1
136.60628	1.0
139.08800	8.5
150.05531	4.0
157.09772	1.4
165.10310	4.8
176.90494	1.2
180.46617	1.1
183.11424	4.2
187.14970	1.7
205.13464	3.8
231.11307	8.6
247.18129	8.0
249.12405	1.2
265.19241	4.2
312.14825	1.9
431.12445	1.2
473.23877	1.4
517.16949	3.7
517.29254	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	517.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	58.9
60.86116	5.8
61.93546	6.0
83.67540	6.5
92.19346	7.4
127.73327	6.5
137.45885	7.6
143.96252	6.5
164.95700	6.7
208.59319	7.8
243.16078	10.5
253.94392	7.6
269.19586	7.3
329.61786	6.6
337.32477	7.5
339.25400	32.7
431.30060	42.3
473.31247	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	517.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37686	0.5
56.93789	0.5
59.01377	100.0
64.55193	0.6
71.01383	2.6
73.02934	3.0
85.02947	2.9
87.00850	0.7
101.02433	4.0
109.76803	0.6
111.00821	1.2
113.02420	0.6
113.93693	0.6
116.93991	0.6
136.25594	0.7
143.09711	0.7
210.03459	0.7
224.18904	0.7
248.88258	0.7
362.71677	0.7
413.21036	0.9
415.23373	1.0
457.24637	6.7
473.23822	1.1
517.26257	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	517.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95295	0.7
59.01378	100.0
65.88703	0.7
71.01377	1.1
77.94864	0.9
85.02893	1.0
100.81609	0.9
101.85567	0.8
111.47918	0.8
113.02394	1.2
119.08749	0.8
139.48195	0.8
195.59872	0.8
253.99690	0.8
261.14520	0.9
321.56735	0.9
331.22253	0.8
397.22772	1.0
415.23590	1.7
457.24301	7.4
517.27002	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	517.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
65.20177	1.6
71.01364	8.3
73.02940	3.6
85.02978	2.4
89.02439	7.2
101.02432	11.6
113.02422	3.6
225.91896	2.0
247.66241	2.0
269.08304	3.6
329.15656	2.2
399.91898	2.2
473.23938	84.3
517.24469	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	517.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81261	0.5
59.01374	100.0
61.72826	0.6
64.51277	0.5
71.01373	1.3
73.02960	0.6
80.47579	0.6
89.02375	0.8
91.01882	0.6
92.85544	0.5
94.21225	0.5
96.80383	0.6
101.02421	1.3
123.39528	0.6
151.66685	0.6
239.07063	1.0
253.18100	0.8
277.25906	0.7
295.02148	0.7
295.23132	0.8
415.23322	0.8
457.24393	8.3
517.26587	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	517.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97617	1.0
54.88209	0.9
56.08389	1.0
57.09680	1.0
58.06614	1.0
59.01375	100.0
65.55870	1.0
71.01369	6.9
71.69638	1.3
73.02935	2.3
75.63126	1.1
83.69010	1.1
85.02963	1.5
87.00851	2.2
91.19363	1.2
101.02425	5.8
106.33175	1.1
106.74998	1.0
113.02425	5.2
161.04492	1.8
180.95174	1.2
251.24478	1.4
253.18083	5.7
397.22293	12.8
415.23209	5.1
457.24493	32.0
473.23798	2.2
476.39175	1.2
517.25623	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	517.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01380	100.0
71.01375	15.2
73.02937	10.0
83.01376	1.9
85.02947	5.8
89.02433	8.4
90.62745	1.1
95.01210	1.3
101.02419	14.2
113.02418	5.9
113.82380	1.2
117.97363	1.2
136.88626	1.2
172.32802	1.3
222.60046	1.2
242.73962	1.3
251.16592	2.2
261.23846	1.3
268.03754	6.2
274.23941	1.3
357.27948	1.4
365.45901	1.5
431.22894	5.6
436.83936	1.3
457.24020	2.2
473.23849	99.9
517.10339	1.8
517.30676	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	517.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86180	1.0
54.14973	0.9
54.44679	0.9
57.03445	1.5
58.48843	0.9
59.01377	100.0
71.01378	12.2
73.02930	9.4
76.97816	0.9
85.02914	10.6
87.00848	2.1
89.02449	8.2
96.95984	1.1
99.00822	1.3
101.02421	15.0
102.98577	1.9
105.25369	1.1
111.00862	1.8
113.02431	9.4
119.03490	4.7
127.05106	1.8
140.27457	1.0
153.05574	11.1
161.04538	3.9
166.42114	1.0
209.15428	1.8
221.06499	1.3
225.05904	6.1
285.14383	1.5
387.11298	1.7
413.21564	8.0
431.22763	5.4
457.24677	7.1
473.24142	16.4
475.12125	1.2
517.13855	5.9
517.23651	1.5
517.30994	6.5
528.06104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98499	0.8
55.41405	0.7
57.03449	0.9
59.01379	100.0
71.01367	17.1
73.02924	8.6
75.10395	0.8
83.01387	3.1
85.02934	7.6
87.00851	2.0
89.01969	0.8
89.02431	7.8
95.01373	0.9
97.66244	0.8
99.00858	1.6
101.02424	18.5
113.02435	11.6
116.92834	1.7
119.03490	1.7
161.04520	4.0
168.08575	0.9
227.07153	3.4
253.05215	1.0
269.08133	15.6
314.31171	0.9
373.18784	6.4
397.22113	7.9
415.19568	4.4
415.23969	1.9
457.24521	15.2
473.23938	51.5
517.26489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70631	1.2
52.61878	1.5
54.72651	1.5
57.01588	1.4
59.01377	95.9
60.80139	1.6
64.21517	1.6
71.01376	16.8
72.99303	18.3
73.02934	12.3
83.01374	1.9
85.02922	6.8
87.04536	2.5
89.02431	11.0
91.48923	1.5
96.95994	13.7
101.02427	18.2
113.02412	9.9
116.92926	1.7
119.03497	2.4
127.05119	22.3
161.04549	2.7
165.05409	1.5
205.13454	1.8
231.11313	10.2
249.12454	15.1
251.16635	2.5
253.18076	2.1
269.17514	2.4
297.19769	1.7
300.72220	1.7
378.45288	1.6
397.22186	7.5
413.21793	3.2
415.23154	1.7
431.22836	15.1
439.98666	2.1
457.24417	8.6
473.16995	3.4
473.23846	100.0
517.29315	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70911	2.0
57.03448	26.3
59.01375	88.9
67.36757	2.0
70.99594	2.9
71.01378	20.5
73.02922	39.0
78.66820	2.1
81.07116	2.4
83.01367	5.1
85.02934	20.1
87.00844	4.3
89.02419	11.7
96.96011	8.0
101.02417	31.3
102.98588	11.3
111.00861	12.1
113.02413	17.6
114.12265	2.0
119.03472	4.2
137.09689	5.2
138.03204	4.5
149.09775	3.2
153.05560	46.6
161.04506	13.0
175.11275	30.2
176.04732	10.3
178.09964	3.6
191.07146	47.0
193.12320	100.0
224.05122	2.8
225.05881	37.7
233.15475	8.9
251.16510	45.1
252.01894	2.4
387.11426	20.1
387.20108	3.5
413.21539	2.9
473.23154	12.5
494.23254	2.3
517.13641	12.1
517.22491	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	517.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11334	0.8
55.77088	0.9
57.03450	4.6
59.01380	100.0
65.33424	0.9
71.01380	11.1
71.14148	1.1
72.99300	4.4
73.02932	10.1
83.01373	1.7
85.02936	7.8
87.00870	1.9
89.02428	6.3
92.02267	1.1
92.19321	1.2
95.01333	1.1
100.07395	1.0
101.02436	12.3
113.02419	7.0
116.92852	1.3
120.12257	1.2
141.11105	1.2
151.81999	1.2
161.04503	1.2
171.26616	1.2
184.70100	1.1
188.55548	1.0
207.17439	2.3
249.78149	1.0
251.16370	1.5
253.18005	10.6
269.17581	2.6
339.01062	1.1
397.22281	6.2
413.21902	7.0
415.23251	2.6
431.22870	13.6
457.24362	12.2
473.23950	58.7
517.31085	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	517.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13108	0.8
57.03440	1.8
59.01377	100.0
59.80745	0.8
62.56306	1.0
71.01361	17.0
72.99294	4.0
73.02938	9.1
82.30280	0.9
83.01369	1.2
85.02931	4.3
87.00863	1.9
89.02417	11.0
97.63808	0.9
101.02422	15.4
113.02427	12.1
119.03438	3.9
128.08350	0.8
133.79056	1.0
161.04555	2.1
162.92900	0.9
164.36302	1.0
165.05551	2.1
207.17491	1.5
251.16521	1.3
252.64619	1.2
253.18073	6.7
268.03134	0.9
269.17734	1.6
325.56406	1.1
397.22180	4.8
413.21768	16.2
415.23184	1.1
431.22919	18.9
457.24600	8.1
473.23898	61.6
517.17181	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	517.163
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54253	1.0
72.00899	11.6
78.06496	0.9
82.37229	1.1
89.03556	91.3
93.03416	2.3
94.03823	1.4
111.04491	1.3
112.39719	1.0
115.01471	8.3
132.04134	100.0
139.46799	1.1
173.04503	5.4
174.04787	1.3
175.04706	44.9
175.06200	1.9
205.61656	1.2
219.59796	1.0
341.29688	1.3
343.11008	1.1
398.77814	1.1
541.22357	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	517.1715
Annotation	Vitecannaside B
Peak:m/z	Relative Intensity
56.80422	4.4
59.01127	5.4
59.01383	100.0
74.65424	3.7
80.97874	4.1
88.37605	4.0
111.00891	5.1
143.84737	4.5
150.62921	4.5
188.48332	4.1
207.06589	6.0
229.98520	4.2
517.17175	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	517.1567
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
51.07555	0.5
56.73223	0.5
60.89680	0.5
68.57289	0.5
76.91554	0.5
85.02955	0.7
88.68821	0.6
96.54604	0.6
96.95993	1.0
134.03725	71.5
149.06024	5.0
176.56802	0.6
178.02710	3.4
183.39203	0.6
193.05051	100.0
355.10352	51.0
517.09344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31208	1.2
55.64093	1.2
58.03939	1.2
58.82159	1.3
58.99594	2.3
59.01386	6.1
60.08308	1.2
61.98809	1.8
70.99599	9.9
71.01377	7.5
74.99083	3.2
79.74878	1.7
85.02958	3.2
101.02458	3.1
102.98580	24.1
113.02433	3.2
138.03224	11.2
145.90437	1.6
153.05565	100.0
155.89084	1.6
161.02293	1.8
161.04550	3.4
163.00714	2.7
176.04782	22.4
191.07144	84.0
195.03522	1.7
197.40118	1.5
209.02771	6.7
210.03610	3.6
224.05067	8.5
225.05908	98.9
269.08136	3.0
355.08737	5.3
387.11255	55.4
387.19894	2.1
447.65134	1.3
517.13873	23.5
517.22729	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	517.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14979	0.9
58.99573	1.6
59.01368	7.3
62.99419	1.0
70.99610	2.1
71.01374	2.5
73.02943	1.6
74.99088	1.7
82.69648	1.0
84.05252	1.1
85.02927	4.6
87.00815	1.7
89.02425	2.4
96.21132	1.2
101.02433	2.3
102.98579	22.1
111.00882	2.3
113.02367	1.6
120.99596	1.4
138.03236	13.9
153.05568	100.0
161.02580	1.4
176.04796	7.8
187.03951	1.8
191.07141	35.0
209.02748	2.0
210.03522	6.3
223.04408	1.7
224.05070	2.6
225.05911	60.2
236.05066	2.0
248.84518	1.3
251.07390	5.0
355.08502	1.6
387.11212	31.2
475.12814	9.7
517.13922	28.8
517.22620	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	517.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56581	0.8
56.38919	0.9
59.01379	12.9
60.35989	0.9
62.95260	0.7
67.90121	0.7
71.01355	1.6
72.20714	0.9
73.02928	1.2
74.82577	0.9
75.96909	1.0
81.94794	1.1
85.02934	1.1
93.03419	3.8
101.02421	1.2
110.87530	1.0
113.02412	1.0
119.05010	4.1
142.45433	1.0
149.02425	5.5
161.02368	1.3
175.04013	14.0
183.08128	0.9
189.01903	1.3
201.01894	6.6
223.07654	1.1
227.07225	1.2
243.63162	1.0
251.07129	22.1
253.05122	1.6
267.06555	1.9
269.08258	6.5
295.06097	100.0
380.21146	0.9
386.99890	1.0
471.37628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1354
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
59.01367	0.8
60.29245	0.5
68.35325	0.7
77.80370	0.6
81.01094	0.6
87.53868	0.6
92.81806	0.6
95.39432	0.7
119.04989	2.9
149.02441	0.9
159.82253	0.6
175.04036	1.0
183.08072	0.7
189.40929	0.7
225.09213	2.7
227.07147	16.6
253.05119	3.8
269.08209	100.0
293.08023	1.1
311.09479	0.9
344.85547	0.7
345.85638	0.6
473.14609	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1352
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
50.85301	0.6
56.32477	0.7
59.01376	64.6
59.20205	0.6
71.01364	4.5
73.02934	4.3
74.22038	0.7
76.35563	0.7
83.01418	0.9
84.38344	0.8
85.02947	1.7
87.04516	1.0
89.02423	1.3
92.19425	0.9
99.41679	0.7
101.02461	5.7
113.02431	3.3
115.07610	1.4
115.81436	0.7
116.92799	1.2
119.05000	4.4
132.41998	0.7
148.34203	0.8
149.02409	1.6
161.04507	1.1
175.04059	1.7
225.09190	3.5
227.07175	5.8
234.59245	0.9
237.18176	0.8
243.39043	0.9
268.03751	1.6
269.08188	100.0
269.17587	1.7
397.22211	3.5
415.23163	1.8
457.24490	5.3
473.23935	23.1
517.24725	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	516.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40600	1.6
59.01374	66.9
62.04778	1.7
71.01363	9.1
85.02931	11.7
87.00869	4.7
89.02415	11.2
95.01363	2.3
96.95992	2.2
101.02423	9.2
113.02448	19.3
119.03474	2.9
131.74518	2.0
146.58046	2.0
157.03568	8.8
179.05547	2.2
201.02541	100.0
217.00278	3.7
259.15179	2.0
343.03647	48.7
374.99020	4.1
509.39917	2.0
517.14105	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2735
Annotation	Paspalitrem B
Peak:m/z	Relative Intensity
53.30458	4.8
53.71852	5.4
78.95908	15.9
82.05958	7.1
84.00515	6.4
99.08175	50.9
107.10677	6.7
130.49190	7.0
140.01186	7.1
196.03847	13.3
282.76791	6.1
319.22739	57.7
366.51758	6.3
385.20267	6.6
507.68192	7.5
516.27313	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	516.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55182	3.0
68.69945	2.8
68.81183	2.9
71.01371	2.9
88.04031	51.1
92.19941	3.4
100.07679	39.4
101.06076	25.8
114.01903	4.7
115.00325	14.1
157.24248	3.4
172.09763	26.3
198.07715	4.7
216.08771	100.0
228.00682	2.9
234.33319	3.7
454.36224	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	515.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40115	2.3
63.92809	2.4
78.22009	2.3
83.01372	4.3
88.57034	2.6
93.89329	2.7
109.68633	3.0
134.61440	2.8
182.01509	3.3
200.05559	3.5
202.14491	2.8
243.94044	3.1
255.23306	100.0
413.29120	5.1
456.29666	60.1
477.81729	2.5
527.80939	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	515.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	42.4
61.98834	5.5
67.39086	2.8
71.01385	5.4
73.02948	4.2
73.95959	2.8
83.82879	2.9
86.23906	3.6
89.02402	3.7
91.01554	2.8
93.03505	3.2
94.88186	3.1
96.96003	2.7
101.02428	5.7
133.05327	67.6
134.06123	74.6
139.08667	3.8
160.04018	14.7
171.10278	3.8
185.77953	2.8
195.15082	3.4
223.14566	58.8
230.11629	3.7
245.12758	6.3
247.14516	90.5
273.12268	4.6
281.59216	3.5
311.22278	4.3
342.14526	14.8
358.21399	93.6
385.20105	3.8
454.27106	100.0
455.27838	27.2
473.27573	11.8
485.31384	4.2
515.28833	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	515.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81972	2.2
59.01376	56.8
60.04810	2.4
68.63596	2.7
71.01370	13.1
72.99279	3.6
73.02891	2.9
82.98741	2.4
87.00862	3.9
89.02416	4.6
99.00896	3.7
101.02430	4.7
113.02438	4.8
128.03528	50.2
128.96384	3.3
133.05322	49.5
134.06100	51.6
160.03990	5.2
171.94576	11.6
172.95370	14.8
198.96974	4.2
223.14470	31.3
230.11819	3.7
230.95871	10.3
245.12862	4.5
247.14516	100.0
273.12326	4.4
290.99371	3.8
321.20749	3.1
342.14600	18.2
358.21317	56.7
385.20111	4.6
429.12161	66.2
454.27151	61.6
455.27869	6.9
485.31387	48.9
491.92801	2.8
493.23358	6.6
515.27649	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66168	0.7
57.49496	0.8
59.01374	5.0
71.01389	1.6
77.80915	0.7
89.02438	3.3
94.61680	0.8
101.02432	3.4
113.02444	1.9
137.63380	0.7
186.42184	1.0
235.08112	0.9
253.09290	6.3
279.23282	100.0
301.85541	1.0
313.23956	0.9
470.82672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.6
69.48664	2.2
76.05283	1.9
85.02954	2.6
92.19958	3.7
100.81099	2.1
102.84276	2.5
104.39744	2.6
117.06696	2.8
120.07941	2.3
253.09286	9.6
279.23294	100.0
310.33362	2.7
312.83105	2.2
312.89304	2.7
471.92709	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	515.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49997	0.8
57.31116	0.9
58.13225	0.8
59.01387	7.5
60.60629	0.8
61.96044	0.8
75.83308	0.9
85.02927	1.0
89.02386	1.1
97.72701	0.8
102.84848	0.8
123.08146	21.9
125.09707	20.4
141.09183	3.5
145.06209	4.0
151.07642	25.3
169.08682	16.1
195.06601	4.0
213.07689	100.0
224.94933	0.8
383.33249	1.4
471.25891	1.0
515.29126	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	515.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63173	0.8
57.23152	0.7
59.01384	25.0
63.48027	0.7
70.74393	0.8
70.88223	0.8
71.01373	6.2
73.02937	4.2
83.01380	0.9
85.02946	5.6
87.00854	3.9
87.15283	0.8
89.02416	3.2
91.20368	0.9
97.06567	1.1
101.02415	4.7
111.00877	2.0
113.02425	1.9
123.08145	21.4
125.09695	20.0
130.99838	0.9
133.06566	1.5
135.58499	0.8
141.09120	1.5
141.87387	0.8
150.26471	0.8
151.07639	25.5
161.04474	1.5
167.07097	1.3
169.08675	15.7
169.10023	1.5
179.05556	1.5
195.06586	5.4
212.21941	0.9
213.07686	100.0
267.16211	0.8
284.27045	0.8
455.21194	1.3
471.22604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09454	2.1
54.39308	2.1
59.01374	100.0
70.40435	2.6
70.90941	2.6
71.01361	22.1
73.02940	47.3
83.01369	4.3
83.32098	2.3
85.02927	3.7
87.00865	28.8
89.02419	12.6
92.97942	2.7
96.95997	27.0
97.06562	40.9
101.02438	32.2
104.59610	2.5
113.02448	22.4
119.03448	3.2
139.07626	3.2
149.04497	2.7
151.07646	5.0
161.04509	17.0
161.27963	2.7
165.05554	3.6
169.08627	11.8
179.05463	2.9
201.12836	4.3
202.28285	3.1
221.06714	4.5
226.10342	2.8
237.06659	3.2
237.24609	3.0
267.15988	66.2
309.17126	4.4
471.22250	13.3
515.09503	3.9
515.28033	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	515.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	35.9
60.84279	1.4
70.76520	1.3
71.01366	12.4
72.87981	1.6
73.02936	35.0
78.22854	1.5
79.05538	2.2
83.01361	7.6
83.62750	1.4
85.02943	2.6
89.02404	2.8
101.02425	26.1
113.02448	3.2
116.92816	2.0
125.09692	6.7
137.41228	1.6
137.44560	1.4
154.68112	1.7
169.08786	1.5
195.80882	1.7
204.97874	1.5
249.14940	90.4
251.16664	2.6
255.60213	1.8
322.49438	2.2
429.20950	2.9
471.22272	100.0
515.28369	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	515.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53952	1.0
59.01379	100.0
71.01375	17.1
73.02937	13.1
81.21948	1.0
82.10768	0.9
85.02942	6.2
89.02435	17.7
91.39882	1.1
95.01344	1.2
101.02428	18.7
110.45938	1.0
113.02444	12.7
119.03437	5.6
119.88769	1.0
123.08135	9.0
125.09711	7.1
151.07657	10.4
154.83899	1.1
161.04527	4.2
169.08676	6.7
179.05583	4.9
179.73166	1.0
195.06621	3.7
207.33195	1.2
213.07669	37.3
252.47948	1.0
254.64728	1.1
263.25546	1.1
411.20251	5.8
429.21112	7.0
471.22382	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.85360	1.1
71.01374	18.6
73.02946	16.3
83.74523	1.3
84.87261	1.1
85.02942	8.0
86.48953	1.2
87.00850	2.0
89.02423	15.9
101.02427	19.7
111.00859	1.6
113.02444	13.6
115.55009	1.4
119.03461	5.6
131.03429	1.7
149.04622	1.5
161.04518	6.2
179.05611	7.0
186.57521	1.5
265.86679	1.4
385.18695	2.6
411.20294	10.5
429.21323	2.6
471.22342	31.1
515.19958	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	515.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87650	0.8
57.55515	0.9
59.01372	9.4
66.67597	0.9
71.01358	7.5
73.02934	19.4
73.91411	1.0
83.05012	6.7
84.73676	1.0
85.02954	3.7
89.02425	11.8
93.03439	50.5
99.00862	9.0
99.04519	6.7
99.41031	0.9
101.02423	5.1
111.04504	37.0
113.02406	3.9
119.03475	2.5
129.01953	2.3
137.02415	17.5
143.03500	5.1
155.03493	15.9
168.10612	1.0
173.04532	100.0
175.00545	0.9
179.05579	1.4
206.74376	1.1
341.10864	29.6
515.16272	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	515.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31931	1.3
59.01377	100.0
66.34937	1.3
71.01375	11.6
71.40353	1.4
73.02945	10.7
83.01320	1.5
89.02433	15.6
93.75607	1.4
101.02410	14.1
113.02425	17.6
119.03481	3.4
120.38670	1.4
161.04518	2.0
166.00952	1.6
317.08121	1.5
411.20145	14.6
429.21149	8.4
471.22397	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28594	0.4
54.17292	0.4
59.01377	0.7
66.69606	0.4
68.14865	0.4
71.01373	0.4
73.02926	0.6
74.99093	0.5
79.95712	0.6
87.00871	2.6
89.02411	1.7
93.03420	1.9
96.95995	100.0
101.02470	0.6
107.04986	1.6
108.01289	0.4
115.00404	0.4
123.04494	7.8
130.04332	0.5
133.01373	1.1
135.04506	3.5
137.02423	0.7
149.06027	0.7
165.05568	3.0
173.04559	2.7
193.05070	7.5
195.02969	2.4
255.05197	1.9
287.80759	0.5
357.08426	2.4
417.10434	22.8
515.07092	0.7
515.14429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76656	0.8
53.90931	1.0
59.01363	4.5
70.37457	1.1
71.01357	4.5
73.02941	22.6
77.79275	1.0
83.05003	6.6
84.90500	1.5
85.02927	2.1
89.02435	4.5
91.15345	1.0
93.03441	55.0
99.00867	8.9
99.04494	7.6
101.02440	4.8
111.04501	34.9
128.12460	1.2
129.01949	2.7
130.57707	1.1
137.01602	1.3
137.02438	22.0
143.03452	6.3
155.03493	17.3
173.04539	100.0
221.43065	1.2
341.10886	12.2
364.82742	1.1
457.67853	1.2
515.16113	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03335	0.9
57.36030	0.8
58.27318	0.9
59.01369	6.3
60.18526	0.8
61.79891	0.8
71.01371	5.1
73.01143	0.9
85.52980	1.0
85.62504	0.9
89.02432	6.4
97.77898	0.9
101.02412	6.9
113.02408	1.9
119.03517	1.2
149.18616	1.0
161.04555	1.6
178.98003	1.0
189.98087	1.2
199.90498	1.0
222.93709	1.0
253.09259	12.7
258.49188	1.1
277.21713	100.0
304.86395	1.1
534.57336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	8.2
70.02968	8.6
72.04527	2.4
74.02460	46.9
92.19387	1.8
98.02457	9.7
103.85927	2.0
116.03503	18.5
116.05046	8.5
121.12328	1.8
128.03535	2.2
159.09274	3.2
201.10356	3.2
203.06448	3.5
203.08264	70.5
245.09294	100.0
289.08621	2.1
337.94760	1.7
414.64828	1.5
501.65039	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	514.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73762	0.5
57.72191	0.6
61.98830	100.0
66.31455	0.4
89.17825	0.4
167.54691	0.5
170.00714	0.5
228.76466	0.6
233.60321	0.5
270.78476	0.6
405.15796	0.6
514.32507	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	513.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97101	2.4
57.61378	2.9
59.01377	5.2
61.42154	2.4
64.56879	2.5
68.99878	2.9
80.33685	2.9
89.02399	3.4
101.02384	5.6
140.87633	2.8
222.42273	3.4
253.09242	16.1
264.72855	2.9
277.18887	5.1
277.21729	100.0
287.97900	2.9
305.02161	2.8
422.79929	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49461	0.7
52.93199	0.7
54.49472	0.7
56.52974	0.7
59.01368	5.3
60.35159	0.7
67.10707	0.7
71.01375	2.0
89.02429	4.5
95.47429	0.9
101.02442	4.0
106.90967	1.0
113.02437	1.3
117.17467	0.8
163.58415	0.8
169.14574	0.9
198.24571	0.9
253.09267	10.9
277.21716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98819	1.7
71.01356	4.8
80.80770	1.1
81.89494	1.1
84.21181	1.4
93.76217	1.2
101.02418	5.1
113.02423	1.9
127.05113	2.9
134.50253	1.2
190.54875	1.3
249.12398	1.9
365.50296	1.3
411.20459	1.9
453.21512	9.6
489.35120	1.4
513.26392	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	513.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41816	1.6
59.01371	4.2
59.16022	1.3
62.45073	1.4
71.01361	2.4
74.83086	1.7
78.37753	1.8
79.81401	1.7
81.57632	2.0
83.05045	1.7
84.04510	2.8
87.00880	1.7
110.06119	7.8
127.05119	34.5
128.03532	7.8
145.10222	2.0
171.11758	7.6
195.11226	2.0
229.09889	2.4
231.11398	3.8
247.10799	3.8
249.12404	42.2
265.11935	3.1
469.26523	2.3
513.26154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49872	1.5
54.65155	1.8
55.90203	1.8
56.40590	1.5
59.01083	3.7
59.01377	100.0
71.01372	3.8
73.02934	3.3
83.05008	2.1
85.02915	3.2
88.33614	1.9
101.02432	12.3
113.02412	1.9
115.00605	2.1
116.79861	2.1
128.03485	2.5
219.67795	2.2
221.15323	2.5
231.71722	2.0
249.15067	3.8
346.77841	2.3
368.88516	2.3
386.80093	2.4
469.20581	3.5
513.26892	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	513.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23272	2.1
57.03444	3.6
59.01376	100.0
66.45261	2.5
66.70125	2.3
71.01363	24.5
73.02934	81.5
83.01371	14.0
89.02444	10.8
92.20032	3.2
96.95994	4.1
101.02415	51.2
113.02428	15.1
123.04553	2.6
136.65184	2.9
151.71317	2.4
152.01143	10.9
161.04573	5.2
167.03474	17.0
170.04622	2.9
185.13348	26.9
203.14493	4.3
206.84001	3.0
221.15446	3.0
225.64540	2.7
278.94714	2.5
313.73111	2.5
423.20386	3.1
469.20776	87.3
537.86261	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	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.86008	2.1
71.01376	23.4
73.02936	4.8
74.56313	2.0
78.67529	2.2
83.09362	1.9
85.02943	12.9
89.02430	14.7
92.19402	3.5
101.02422	28.0
113.02428	13.6
119.03495	4.7
125.91077	2.0
152.01057	4.2
159.03041	3.2
167.03534	16.6
232.46919	2.3
365.19690	5.0
469.20642	60.9
513.16943	3.3
513.28040	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	513.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78338	2.4
53.04216	2.4
59.01377	100.0
59.02780	2.8
71.01376	30.2
73.02937	63.3
81.03420	4.3
83.01378	6.0
83.05032	4.2
85.02928	15.6
89.00687	2.6
89.02431	17.3
100.70537	3.1
101.02419	53.4
103.39042	3.0
104.79448	3.1
113.02418	19.2
113.05940	3.3
119.03444	7.5
143.03514	3.1
151.07648	16.7
161.04518	13.6
161.05934	5.1
163.03987	10.7
163.11287	6.6
168.07907	55.1
177.09186	4.8
203.10748	12.3
217.12314	5.7
221.06648	5.4
223.06108	14.5
228.26039	3.3
229.12297	6.1
247.13374	19.6
469.20651	22.9
513.23010	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	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50658	3.9
59.01376	100.0
59.37979	4.1
64.10500	3.9
71.01370	33.6
73.02931	44.0
79.38212	4.0
83.01328	6.4
83.05033	6.6
85.02928	5.4
89.02444	19.4
101.02425	41.0
111.04532	8.5
113.02382	17.7
120.40377	5.8
121.06567	6.1
136.05273	18.2
137.06071	5.1
138.06830	4.4
139.07628	44.5
151.07645	4.5
154.98970	4.3
161.04584	9.5
168.07912	81.2
173.09636	8.3
185.05002	4.1
189.12831	4.2
199.12895	4.6
217.12311	40.6
219.13869	5.8
235.13408	31.1
247.13286	28.8
265.14429	71.8
295.53906	4.4
396.19412	5.4
409.18738	20.3
469.20532	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60622	1.2
54.39374	1.6
57.03432	1.5
59.01376	100.0
71.01367	19.1
73.02932	36.9
75.11095	1.6
83.01379	7.2
83.05018	2.8
85.02954	8.2
89.02457	12.8
101.02422	38.8
113.02421	9.7
153.09192	2.1
161.04581	3.4
185.13335	15.7
203.14430	7.5
221.06456	2.6
221.15442	1.9
226.12117	1.8
231.13802	2.7
249.14929	2.4
293.42142	2.0
350.59344	1.6
413.96021	1.7
453.21179	2.1
469.20792	59.0
513.24915	2.2
524.62640	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	513.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38104	1.3
57.47843	1.6
59.01382	2.3
62.23004	1.4
64.80065	1.2
87.00864	6.6
91.05517	25.6
92.47176	1.5
96.95937	2.1
101.02386	1.9
117.07079	7.2
122.24239	1.7
128.61809	1.5
133.06589	24.2
152.79149	1.7
161.06053	32.1
163.03990	54.0
179.07080	2.0
223.06125	100.0
270.12204	1.8
297.81204	1.7
361.51746	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	513.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.4
59.04623	1.1
59.59818	1.1
65.54001	0.9
71.01353	7.5
87.00858	1.7
89.02435	7.3
96.83071	1.0
96.95993	5.8
97.06569	1.3
101.02431	6.3
109.06580	1.7
113.02458	1.5
127.07639	34.1
143.07121	15.9
171.06639	6.0
173.08138	1.3
189.07684	91.9
213.07735	2.1
231.08719	18.8
273.09869	1.9
291.10922	5.3
513.18250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.4
71.01378	1.7
72.99294	27.5
78.95890	11.4
87.00886	1.1
89.02451	3.8
92.19838	1.6
96.96930	4.6
101.02470	1.1
113.02437	1.3
115.00340	2.4
118.54563	1.1
119.03493	1.7
127.04039	1.1
128.96016	1.2
132.92653	1.0
133.01392	10.4
133.27960	0.9
146.53748	1.2
152.95941	75.8
161.64273	1.1
170.90198	2.0
170.97000	100.0
171.00557	10.9
171.02884	1.6
197.20697	1.0
333.85092	1.1
341.10818	2.2
344.42126	1.1
374.40869	1.1
513.08667	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	513.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
59.01359	1.2
65.59878	0.8
72.99285	2.1
74.17220	1.1
76.02646	0.9
77.81186	1.1
80.51390	1.0
85.02939	82.2
96.96004	24.0
98.95564	1.0
99.59640	1.0
111.00829	1.5
115.65371	1.0
117.03458	3.9
119.05009	2.3
119.25130	0.9
136.04056	1.7
145.02942	100.0
159.08147	1.3
161.04549	2.3
163.03989	5.4
187.07625	5.0
231.06740	1.2
266.96490	1.0
307.08337	9.5
415.10666	1.9
469.13525	64.4
473.88644	1.1
513.12378	3.6
519.18750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.9
59.95027	1.5
65.54053	1.4
71.01383	1.8
73.02937	8.8
87.00867	3.8
91.05508	26.4
101.02419	7.1
117.07079	6.7
121.85314	1.9
133.06544	17.7
161.06068	28.7
163.03996	49.3
168.07916	8.0
179.07123	2.2
223.06110	100.0
304.35425	1.9
442.95679	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	513.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36392	0.7
59.01379	2.3
62.83925	1.0
78.41020	1.1
83.13745	1.1
92.19939	1.1
93.03443	2.4
113.63614	1.0
117.03440	16.4
146.45085	1.0
154.04074	1.1
159.04491	12.4
179.04906	1.6
203.03484	6.1
223.03999	7.4
239.07225	2.2
251.04518	1.3
263.07089	24.4
265.05090	7.3
267.02988	1.6
305.08212	1.4
307.06110	100.0
331.06140	25.2
333.04099	5.8
349.07156	31.7
361.07010	1.2
375.05338	7.6
383.09152	1.4
469.09296	57.4
513.08276	45.3
513.26764	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	511.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52433	0.8
59.01381	32.7
66.11380	0.9
67.00285	1.0
70.13773	0.8
76.08313	0.8
112.07657	6.1
129.10309	2.1
130.08720	9.1
207.14966	4.5
224.17688	4.7
225.16069	16.5
320.23511	2.3
337.26059	5.8
433.31805	15.2
451.32959	100.0
503.67978	1.0
511.34760	4.3
513.17981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72251	0.4
60.59181	0.4
63.86251	0.5
64.49754	0.4
71.01389	1.1
79.95755	0.9
81.45137	0.5
87.54944	0.5
96.95996	100.0
107.41309	0.5
115.00343	0.9
136.04030	18.7
136.32607	0.5
208.06119	3.4
252.05128	2.7
272.06494	1.9
286.08420	0.6
287.08881	2.0
301.10944	0.8
302.11145	3.1
350.13184	0.7
391.03546	0.6
410.45441	0.6
414.10428	18.6
438.26321	0.6
512.21063	1.4
528.34601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2546
Annotation	Andrographiside
Peak:m/z	Relative Intensity
59.01377	23.4
62.61040	1.4
71.01374	12.2
71.01709	1.4
72.83656	1.4
89.02428	18.4
97.51843	1.5
101.02431	13.1
101.20962	1.3
110.38030	1.3
113.02409	5.9
119.03472	5.5
201.12767	1.9
258.39456	1.3
267.17502	2.7
269.19113	8.2
285.18533	8.9
287.20166	43.4
331.19092	12.3
511.25510	100.0
529.80432	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	511.255
Annotation	Andrographiside
Peak:m/z	Relative Intensity
51.18930	1.2
59.01377	85.3
61.98859	1.0
66.63882	1.2
70.13479	1.1
71.01370	20.8
73.02940	11.2
83.01369	4.8
85.02945	7.4
89.02436	15.8
92.19920	2.3
93.71574	1.2
95.01421	1.2
99.00818	1.3
101.02412	19.2
113.02440	11.6
119.03469	4.6
143.03517	1.4
150.37186	1.3
161.04544	1.5
205.52319	1.3
241.83501	1.2
279.03687	1.4
355.15338	1.3
451.22321	1.7
511.25470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01075	1.8
55.01887	2.2
57.03434	3.3
59.01086	3.0
59.01380	89.1
61.98829	16.9
71.01373	65.1
73.02938	26.8
83.01385	16.0
85.02941	35.5
87.00871	4.1
89.02428	17.5
92.20013	2.9
95.01361	4.2
96.95937	2.2
97.02882	2.7
99.00857	9.7
101.02438	61.2
111.00854	2.5
112.49622	2.1
113.02428	41.3
117.29260	1.8
119.03493	2.5
125.02416	4.6
143.03444	3.0
148.34673	1.9
159.02979	3.8
161.04541	16.7
179.03493	4.2
180.04301	10.2
180.07648	2.0
182.02267	8.3
195.06540	16.8
197.04558	14.0
221.06767	2.4
230.87677	2.3
307.17603	13.5
349.18811	19.9
451.22122	3.0
469.22946	39.7
511.14688	16.0
511.23956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68938	1.4
59.01378	23.7
60.29868	1.2
67.47884	1.9
68.71066	1.5
71.01367	26.1
71.12553	1.3
71.64315	1.2
73.02944	13.5
77.12508	1.7
83.01379	3.6
85.02948	9.6
87.00866	7.1
89.02416	24.7
92.00517	1.5
96.95985	8.7
101.02442	26.6
111.00872	1.7
112.53404	1.6
113.02431	20.8
119.03495	9.9
125.02482	2.1
131.03487	16.7
135.84753	1.6
151.04030	3.2
155.73270	1.6
161.04568	17.9
169.08688	8.1
179.05537	2.6
221.06725	12.7
271.06134	11.0
286.08411	17.3
301.10785	17.8
349.13019	8.1
372.96664	1.9
462.38181	1.6
511.20450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08480	2.2
59.01366	12.0
68.77647	2.5
69.41920	2.6
85.91521	2.6
87.00858	100.0
89.23683	2.7
101.06650	3.0
145.02954	4.4
263.89545	3.0
285.11368	3.0
344.30783	3.3
428.12338	2.8
467.17010	4.7
511.25195	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	511.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41122	2.4
59.01379	100.0
67.18888	3.0
68.57591	2.3
71.01373	31.2
73.02940	42.6
83.01369	15.3
85.02941	4.9
85.43745	2.5
88.84941	2.2
89.02438	23.2
90.74701	2.2
95.01345	3.2
101.02428	42.2
113.02436	15.9
119.03506	6.3
120.99648	21.2
131.03528	2.9
150.58766	3.2
154.79909	2.7
161.04572	4.4
168.51631	2.7
205.00226	2.7
232.94342	2.5
349.18655	3.6
363.18124	16.9
381.19168	12.9
423.20255	34.0
467.19247	10.0
510.73895	4.2
511.24356	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	511.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03920	2.8
59.01376	57.7
61.64934	2.3
71.01381	42.5
73.02928	15.9
83.01377	11.4
83.70367	2.9
84.48325	2.6
85.02934	13.4
87.00851	4.5
89.02422	28.7
96.95981	3.7
97.02972	3.4
97.54330	3.1
101.02431	40.5
106.37167	2.8
113.02436	29.3
119.03472	15.9
125.02446	3.0
127.07655	12.7
131.03459	5.8
145.08743	24.8
161.04553	15.1
179.05627	3.5
221.06584	5.4
289.12930	14.4
301.82831	3.0
307.14020	48.6
349.15118	4.8
391.16113	7.0
409.17181	58.2
469.19196	6.0
511.20322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79937	1.2
59.01377	12.6
71.01385	3.2
73.02930	9.8
74.20836	1.3
83.01347	1.4
85.02940	2.0
85.85556	1.3
89.02425	1.6
101.02401	3.3
113.02421	3.2
159.11812	5.9
171.08311	1.5
173.09602	1.5
183.11694	2.3
186.10504	7.9
191.22765	1.3
199.11243	5.7
201.12856	100.0
254.89726	1.4
376.78995	1.2
425.43829	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	511.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14445	0.8
59.01368	1.2
63.95923	0.8
70.52094	0.7
75.17384	0.8
80.19745	0.9
89.02415	1.1
90.21071	0.9
92.19862	1.4
96.96011	10.2
96.96908	0.8
106.55663	1.0
109.73253	0.8
181.05037	1.7
255.05009	1.5
256.03812	1.1
264.59351	0.9
271.06116	52.9
285.51599	0.9
286.08472	100.0
301.10797	93.1
349.12958	36.7
399.12650	1.0
444.26599	1.1
498.11032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04204	3.6
54.26888	3.9
54.75419	4.6
55.28405	3.8
57.43278	4.0
59.01381	100.0
71.01366	26.6
73.02930	39.4
83.01410	7.9
88.64678	5.4
89.02425	22.9
92.47640	4.8
101.02451	45.5
113.02433	22.0
131.03427	6.2
134.61478	5.3
135.04501	5.8
140.39195	4.8
164.68834	4.8
219.13889	11.7
251.50150	5.3
344.08633	5.5
346.24423	6.3
363.18243	22.6
381.18796	7.2
423.20337	44.2
441.64047	5.3
511.23978	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	511.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95401	2.4
59.01390	3.8
65.70216	2.4
66.13607	2.5
66.29726	2.4
72.25713	2.4
76.23609	2.8
93.03362	2.6
107.05041	19.0
120.99637	3.3
121.76017	2.7
124.69617	2.3
128.67000	2.5
134.02835	2.6
134.03717	23.8
135.04514	100.0
142.02477	2.3
164.76286	2.4
165.05539	15.4
170.66211	2.4
180.04350	3.9
205.63336	2.8
211.07651	9.9
235.17371	2.9
239.07141	34.9
241.05040	4.6
256.07455	10.0
297.04077	10.5
300.06284	5.3
312.06302	7.3
315.08762	15.7
327.08765	17.6
341.98611	2.6
345.11121	17.9
374.11539	13.4
389.14096	4.1
418.10825	19.5
421.58023	2.5
433.12909	30.7
462.95068	2.6
463.14008	54.9
493.15622	4.1
511.15894	71.9
511.23270	3.7
537.61102	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	511.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.3
66.68482	0.5
67.35136	0.6
71.01373	0.7
73.02921	0.5
75.00884	0.8
85.02934	0.9
87.09428	0.5
89.02399	0.6
101.02402	1.2
101.13356	0.6
120.99628	100.0
138.55209	0.6
211.39429	0.6
223.04388	0.7
467.18890	0.7
510.74072	2.2
511.24515	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	511.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82945	0.4
71.00583	0.4
74.30743	0.4
78.95907	3.2
79.95726	1.1
96.95997	100.0
96.96909	11.7
98.95577	2.0
169.01418	0.6
175.81036	0.6
192.52515	0.6
238.07222	0.5
251.14029	3.0
265.39038	0.5
413.19418	2.2
511.17081	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	511.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.5
62.30278	0.8
71.01380	1.7
79.29848	0.8
85.02923	0.9
87.00855	15.3
96.76572	0.9
96.95998	13.5
97.02895	0.9
99.91936	0.9
101.02418	1.7
113.02483	1.1
123.04504	54.0
135.04604	0.8
149.06058	13.1
150.03172	1.2
151.03978	1.3
152.01108	1.0
165.05542	17.5
168.13098	0.9
169.01381	4.5
193.05049	22.1
195.02986	26.0
205.24907	1.0
219.03020	1.8
237.04007	1.5
255.05090	100.0
271.06070	3.9
286.08563	6.3
301.10950	7.5
349.12817	4.5
381.03528	0.9
511.16003	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	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43367	0.7
50.75286	0.6
52.44991	0.6
54.71880	0.8
59.01384	1.8
61.98827	100.0
69.03751	0.7
75.00867	1.0
94.36430	0.7
98.52978	0.8
108.40295	0.8
110.02800	0.8
110.41773	1.0
112.20711	0.9
113.02412	0.8
138.64047	0.8
238.16711	1.0
450.23206	1.1
510.23212	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	510.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25372	0.8
58.88157	0.9
61.98827	100.0
120.01201	2.5
167.03477	4.3
168.03728	1.3
303.07193	1.3
318.09482	1.3
330.09595	2.3
351.53091	1.2
510.16879	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	510.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86618	0.6
52.74043	0.6
53.20249	0.6
58.89948	0.6
59.01381	1.1
61.93781	0.7
61.98828	100.0
71.01360	0.7
72.01724	0.8
92.19324	0.8
108.02178	0.8
123.04468	1.3
138.55257	0.7
147.84784	0.6
151.10146	0.7
152.01184	6.5
153.01498	2.8
156.59554	0.7
167.03464	10.4
168.03812	6.4
181.58952	0.6
197.04581	1.0
214.76344	0.6
224.99641	0.8
227.48512	0.6
499.41919	0.8
510.16772	2.8
510.23032	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	509.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38161	5.0
55.46785	4.2
86.87038	5.0
95.59210	5.5
100.70230	5.2
103.14267	4.9
106.74565	5.2
117.80978	5.4
132.08456	5.5
134.03717	43.8
149.06079	35.6
178.02669	53.4
180.48763	5.0
193.05086	100.0
211.07066	5.7
509.27295	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56328	1.6
58.67938	1.8
59.01375	66.1
61.98821	1.7
64.80360	1.5
66.40018	1.4
66.54983	1.7
78.18666	1.6
87.79157	2.0
91.03989	9.6
103.33512	1.9
112.98366	1.9
133.02945	7.8
134.03708	9.8
146.78456	1.6
148.05289	7.8
160.01683	7.3
161.02428	10.6
161.06105	3.7
161.42276	1.9
162.03209	3.1
175.03966	41.3
177.01927	2.7
178.02722	3.0
193.05147	2.0
204.11522	2.7
212.79405	2.0
215.29503	1.9
247.09712	3.2
257.05811	2.0
260.17603	4.0
261.11258	2.5
275.12872	2.3
289.14377	2.8
355.18866	2.5
358.21484	19.3
359.22278	2.8
360.19501	40.7
361.20181	11.8
373.23935	15.0
375.21783	78.4
385.20316	9.3
399.21887	20.3
417.22867	8.0
435.24002	9.4
491.26541	26.9
509.27567	100.0
513.46906	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	509.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	60.9
62.62698	1.7
71.99609	2.0
86.45955	2.1
91.03985	3.9
97.17148	1.6
103.27207	1.7
133.02928	9.9
134.03748	7.2
148.05293	7.8
160.01645	7.8
161.02449	3.9
161.05978	1.9
162.03114	2.7
175.03986	35.9
177.01862	2.7
178.02679	3.4
193.05095	2.7
209.62595	2.0
215.89043	2.2
225.08170	1.9
233.08046	2.7
246.21072	2.0
259.19388	2.6
260.17535	1.9
261.11356	3.3
275.12952	1.8
284.31995	1.8
289.14365	4.1
303.16092	1.8
322.67502	1.8
355.23035	2.3
356.20190	1.7
358.21454	19.6
360.19531	31.7
361.20270	12.3
373.23911	15.2
375.21741	61.7
385.20059	9.4
399.21765	23.1
417.22720	3.4
418.60715	2.0
435.23740	7.9
491.26450	24.5
498.80176	2.2
509.27533	100.0
529.42010	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	509.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	11.7
61.98829	100.0
85.02946	3.8
87.00865	13.9
89.02458	3.5
94.77064	1.8
101.02430	3.4
109.28896	2.0
113.02395	3.5
118.06619	4.5
119.06922	3.5
136.77744	2.2
138.03697	2.2
164.04790	2.6
179.07135	9.4
180.07884	2.5
224.06836	4.5
234.34523	2.0
251.76268	2.1
296.50027	1.9
303.19626	7.9
352.50253	2.4
447.24435	3.2
448.25439	3.1
449.25601	22.6
509.23050	13.7
509.29260	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	509.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12714	2.0
59.01379	75.0
62.76598	1.8
64.71661	1.9
86.46497	2.0
88.10367	2.0
89.02463	2.8
91.03947	4.2
93.39479	2.1
133.02936	8.9
134.03706	12.7
147.53294	2.2
148.05316	3.3
160.01610	12.1
161.02394	11.0
162.03134	3.4
175.04004	49.2
177.01976	3.7
178.02791	4.7
233.08020	3.0
241.80626	2.3
247.09703	2.5
259.19089	2.6
260.17801	2.6
261.11356	2.9
298.87018	2.8
303.15997	2.6
358.21402	22.5
360.19434	42.5
361.20392	16.0
373.23981	14.8
375.21744	85.6
384.19156	2.3
385.20032	13.1
399.21692	26.5
417.22736	11.4
435.23849	12.2
451.34738	2.3
479.30533	2.4
491.26614	38.8
509.27579	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	509.2405
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
51.17333	0.7
52.17620	0.7
59.01097	1.0
59.01379	20.3
63.59779	0.7
71.01371	9.5
71.73706	0.8
83.01407	1.1
85.02924	3.8
87.00840	4.1
89.02418	9.1
101.02435	9.2
113.02411	5.8
119.03511	1.9
163.75905	0.9
256.87839	1.0
267.17453	4.5
285.18616	30.9
286.34644	1.0
303.19656	1.5
311.30042	0.9
329.17645	17.1
509.23752	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	509.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03436	1.9
59.01377	28.9
60.18195	1.0
71.01368	18.1
72.99290	4.9
73.02926	7.4
75.00857	21.9
85.02944	33.2
87.00838	8.5
88.59527	1.2
89.02408	2.3
91.34425	1.1
95.01359	2.0
99.00850	7.6
99.52492	1.1
101.02431	10.3
113.02434	31.6
115.00354	1.8
154.96069	1.6
161.04497	1.2
163.74025	1.2
179.07117	5.7
180.07834	1.4
224.06833	2.7
291.18069	2.0
313.69949	1.2
417.65222	1.3
418.98886	1.2
509.22415	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	509.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28358	3.1
59.01374	46.2
71.01359	19.0
73.02929	17.7
74.62661	3.4
74.95418	3.3
74.99075	6.8
83.01369	5.0
83.49242	4.2
85.02914	5.3
89.02422	7.0
99.00880	4.0
99.58028	3.6
101.02430	25.4
103.97325	3.3
113.02435	5.6
136.99179	5.1
137.02428	6.1
144.04123	3.8
153.12726	5.2
161.04506	7.3
167.03485	5.8
259.35345	4.2
261.17114	33.4
347.17139	4.0
465.23456	100.0
509.22495	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	509.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81352	7.8
59.01384	100.0
64.90234	8.6
68.83853	8.3
71.01373	15.3
73.19230	7.4
78.97662	7.6
81.44697	7.9
96.59643	8.3
106.27451	11.4
405.21240	45.0
533.05365	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	509.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12164	0.6
52.02171	0.6
55.01869	1.0
57.03437	1.7
59.01376	100.0
59.42993	0.5
69.03414	1.0
71.00977	1.6
71.01370	46.0
73.02934	15.5
73.60894	0.6
74.02464	0.6
80.56747	0.7
81.03394	0.7
83.01382	5.6
83.12719	0.7
85.02936	16.2
86.45510	0.6
87.00884	3.2
89.02427	36.8
92.06979	0.6
93.30189	0.7
95.01376	6.1
96.96011	5.2
97.02957	0.7
99.00868	1.1
101.02425	36.6
111.00816	0.9
113.02434	32.7
119.03485	13.2
123.00869	0.8
123.04491	2.8
125.02407	1.3
131.03458	1.2
136.01622	0.8
143.03503	1.3
159.02742	0.9
161.04520	4.2
167.03448	1.7
179.05580	4.0
305.15826	0.8
317.10236	5.9
339.65427	0.9
347.11334	5.2
379.76758	0.8
423.01129	0.7
449.20236	79.3
465.15683	1.7
467.21362	41.0
509.22830	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	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
59.01381	100.0
63.15583	2.2
65.91844	2.3
70.62764	2.2
71.01379	72.7
73.02938	28.4
75.64898	2.3
77.37881	2.2
83.01379	10.0
84.22538	2.7
85.02922	27.6
87.00867	4.5
89.02432	37.2
92.20113	2.9
98.81235	2.6
99.00887	4.8
101.02435	56.0
113.02451	36.7
119.03504	10.9
125.02428	4.5
131.03505	10.4
138.03253	3.9
139.00360	16.8
153.05550	5.7
159.02943	3.6
161.04544	21.3
162.03413	2.9
163.04007	2.6
166.02669	6.3
179.05608	10.0
221.06653	21.1
250.61044	2.6
263.07617	3.6
302.07971	26.6
317.10229	30.9
347.11377	35.7
347.17120	4.9
449.20374	12.7
467.21371	51.8
473.51932	2.6
509.22549	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60371	2.7
51.41415	2.8
55.01861	4.5
59.01382	98.5
71.01375	80.6
73.02943	30.2
78.09766	2.6
80.09655	2.8
83.01385	13.5
85.02946	31.7
87.00861	5.2
89.02454	32.0
92.19331	4.2
95.01395	7.3
99.00867	12.3
101.02439	63.0
111.00778	3.7
113.02434	42.4
119.03470	5.0
125.02457	5.6
131.03522	4.1
135.04500	3.5
143.03506	5.6
143.10767	11.6
159.03056	5.1
161.04544	23.7
266.05832	15.3
267.06601	33.3
272.25656	3.2
287.66302	3.2
305.15961	7.2
316.80414	3.4
347.17197	14.7
390.38824	3.2
404.18668	3.4
429.11948	14.0
449.20157	6.5
467.21420	43.6
473.10843	19.7
509.22354	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	509.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85786	3.2
55.01884	3.4
55.63730	2.8
55.69240	3.3
59.01380	90.8
71.01373	81.7
71.84149	3.4
73.02941	25.1
76.77361	3.2
79.53696	3.8
83.01372	17.1
85.02937	37.5
87.00871	5.0
89.02431	22.4
95.01353	5.6
99.00862	7.8
101.02431	71.7
105.02985	3.7
113.02457	50.7
122.03719	7.4
125.02438	6.2
143.10735	4.5
152.04779	4.1
161.04526	20.7
166.02679	8.7
178.02753	9.3
196.03801	15.9
228.02597	5.1
229.49623	3.5
270.09033	5.7
290.70856	3.8
305.15967	5.7
317.10410	7.7
347.11392	100.0
347.17361	6.6
467.21408	66.5
509.22644	92.9
526.39557	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	509.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78168	1.0
59.01377	6.1
61.98534	2.0
61.98830	32.4
70.98574	1.4
71.01357	2.4
74.53894	1.1
75.50003	1.1
75.52224	1.4
85.02920	2.0
87.00864	100.0
90.69057	1.1
101.02406	1.4
113.02488	1.4
179.07089	1.7
269.23633	1.2
447.25604	1.5
449.24527	5.8
509.23303	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	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54561	3.2
59.01379	100.0
62.64577	3.2
64.21988	3.2
71.01377	64.8
73.02935	23.2
81.86681	3.6
83.01384	17.3
85.02938	35.1
85.06572	3.6
89.02438	23.0
95.01355	4.8
99.00897	6.7
101.02428	66.3
107.71574	3.5
113.02415	36.3
113.10165	3.5
119.03429	6.1
125.02482	4.8
141.09152	4.3
143.10757	8.1
146.86478	4.1
161.04532	19.3
193.08504	4.3
208.40541	4.0
257.11398	4.0
266.05823	17.6
267.06656	31.4
305.16159	8.3
317.18756	4.7
347.11353	16.6
347.17117	18.2
443.31467	4.5
467.21420	47.6
473.10788	8.6
509.22363	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02425	1.7
57.66593	1.7
58.66814	2.3
59.01382	48.2
66.38432	2.0
71.01380	38.0
73.02942	19.3
79.74004	2.5
83.01378	3.5
85.02940	18.0
87.00867	10.8
88.66332	2.3
89.02437	26.9
96.95992	8.9
97.74920	2.4
99.00874	3.7
101.02448	36.0
104.39385	2.2
113.02451	26.1
119.03487	9.8
125.02409	3.6
131.03517	17.7
143.03421	3.1
159.03020	2.5
161.04544	20.4
162.11188	2.3
179.05537	3.6
221.06685	15.0
263.07678	3.4
263.48273	2.0
279.46857	2.1
329.09802	2.4
347.31207	2.3
449.20679	2.4
467.21555	5.4
509.18744	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	509.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32954	4.1
59.01377	60.6
60.47315	4.4
68.99814	8.4
71.01381	8.8
85.02981	6.6
89.02417	9.0
101.02428	8.5
113.02417	6.8
119.89738	4.5
128.79184	6.1
137.02490	5.1
138.03204	10.0
141.09225	6.0
152.04788	5.5
153.05550	21.7
168.04301	6.8
176.01143	20.4
177.01985	34.2
191.03522	27.4
192.04309	7.2
193.01404	26.9
193.05096	11.1
207.06631	56.5
208.03754	86.5
210.05298	6.7
223.06104	73.2
225.07713	12.1
289.57401	5.1
362.89780	5.7
377.12329	11.9
429.21243	9.0
449.14566	9.2
509.16278	100.0
509.22260	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	509.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.2
71.01369	3.6
74.99044	0.8
85.02943	1.5
85.35268	0.7
85.74472	0.7
89.02406	1.6
101.02406	3.5
108.02146	13.7
113.02467	0.9
123.04506	14.7
152.01141	54.5
161.04456	0.8
166.02672	0.8
167.03477	100.0
185.11969	0.8
260.61060	0.7
347.17111	1.6
465.23456	1.1
484.27899	0.8
509.15976	15.6
509.23697	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	509.1664
Annotation	Plumerubroside
Peak:m/z	Relative Intensity
53.32091	0.9
59.01376	9.3
59.31182	0.9
70.74668	1.0
71.01373	6.8
73.02938	1.2
85.02935	2.3
86.82019	1.3
89.02419	1.1
92.20027	3.9
101.02425	5.3
102.53626	1.1
113.02462	2.5
122.03716	9.2
132.79089	1.0
134.03705	3.9
136.01651	6.0
137.02429	5.7
152.04803	1.5
163.71106	0.9
166.02696	13.0
178.02679	12.7
178.07478	1.0
179.03493	9.0
180.04282	1.4
181.01393	6.6
193.05069	5.0
195.03027	1.9
196.03772	18.9
198.01727	4.7
210.05353	1.9
212.03290	1.5
215.19823	1.2
228.02780	2.1
255.06604	1.2
258.08963	2.5
270.08871	7.2
273.11383	2.0
285.07776	1.4
314.08023	4.3
317.10306	10.6
329.10178	8.1
332.09183	1.3
347.11368	100.0
467.21536	5.4
509.22495	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	509.1666
Annotation	Plumerubroside
Peak:m/z	Relative Intensity
59.01381	15.0
71.01371	11.2
73.02922	3.1
76.18084	1.8
83.01356	2.3
85.02936	8.1
89.29562	2.0
96.95997	2.7
101.02432	9.7
110.20769	2.0
111.00860	2.9
113.02425	7.5
123.00885	2.7
123.04538	1.8
134.51730	2.1
138.03195	24.5
139.00371	60.9
139.04030	2.7
147.00841	2.9
153.01926	12.1
153.05547	27.6
162.03232	7.2
163.03972	12.0
166.02689	32.4
235.83896	2.0
287.05646	11.6
301.07153	16.0
302.07956	81.5
316.09604	9.1
317.06662	4.3
317.10303	100.0
347.11346	97.1
347.15579	2.1
349.05475	2.0
356.27255	2.2
449.20401	3.7
467.21277	8.1
479.15387	4.5
509.16589	53.8
531.17200	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	509.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84624	1.1
51.94319	1.1
55.55040	1.4
59.01381	18.0
71.01378	13.3
73.02936	2.2
85.02927	10.6
87.00867	2.0
89.02430	8.5
95.01385	1.7
96.96011	2.0
101.02431	14.0
108.02178	18.0
113.02424	8.1
116.41832	1.3
119.32389	1.5
122.03709	1.5
123.04498	25.9
125.02501	1.8
131.03476	3.2
150.03214	25.2
151.04025	1.7
152.01149	38.4
161.04478	2.2
164.04634	1.9
165.05548	51.1
167.03482	100.0
179.05525	2.4
195.06638	9.3
201.62920	1.5
209.04692	1.7
221.06670	3.0
256.07184	2.2
313.09335	27.8
315.08722	2.3
465.18881	1.6
467.21140	2.0
509.16965	65.8
509.25821	5.7
532.53162	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	509.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83667	0.3
79.95738	1.6
96.95995	100.0
132.75714	0.4
249.12431	4.6
316.42154	0.6
411.17905	1.7
499.73853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24046	0.4
62.80877	0.4
78.95898	2.4
96.95996	100.0
96.96882	5.4
108.30315	0.4
137.50084	0.4
150.30664	0.4
171.14568	0.5
192.91522	0.5
209.08011	0.5
249.12413	4.8
411.17789	2.0
509.18124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30584	1.0
55.86280	1.0
59.01372	4.6
65.18053	1.3
67.14320	1.1
71.01359	2.6
78.95892	2.2
87.31944	1.4
89.02447	1.9
94.52199	1.2
96.95988	1.3
108.01539	1.2
108.02164	13.3
111.01972	1.6
123.04506	19.4
152.01131	20.7
167.03476	100.0
179.05617	1.6
329.08820	19.5
359.16376	1.3
459.65161	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	508.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35780	0.9
62.81029	1.0
67.50609	0.8
71.68922	1.0
74.57470	1.0
84.01631	0.9
112.08776	1.8
112.15204	1.0
115.20818	1.0
121.02944	2.1
122.21850	1.0
129.10326	5.9
137.06076	1.1
142.45613	1.0
154.09825	4.8
163.04004	3.7
170.11868	30.0
176.34390	1.0
214.10860	18.3
217.20103	1.1
249.12512	1.3
251.14009	82.0
264.21759	1.0
276.13519	75.8
293.16196	100.0
419.81100	1.1
499.56586	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	508.3407
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
57.03443	1.7
70.53265	1.0
83.01374	31.0
103.86990	1.0
157.05011	10.9
199.55948	1.1
204.06622	1.0
206.56317	1.0
255.23286	100.0
258.89014	1.2
413.23627	2.2
413.29132	59.1
449.26648	17.4
458.34796	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	509.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47766	0.4
79.95737	0.7
83.09802	0.4
83.78374	0.4
85.53948	0.4
96.95992	100.0
110.09598	0.5
174.11584	0.4
234.24385	0.5
249.12410	9.5
255.05063	1.1
411.17883	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	508.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75630	0.4
61.98829	100.0
73.02992	0.4
94.01221	0.4
120.36682	0.3
127.51064	0.3
150.66251	0.3
194.04161	0.4
233.46660	0.4
342.10443	0.4
358.14023	0.4
448.21732	0.5
508.20767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59698	2.6
61.98837	3.5
78.95889	3.4
84.18214	2.6
149.91805	2.8
199.14839	2.6
205.06813	3.4
223.20711	4.7
249.18623	6.1
267.16818	3.7
267.19662	100.0
273.14938	3.2
274.15140	5.1
277.83618	3.5
293.17676	36.1
311.18942	10.3
332.61224	3.0
483.07074	3.0
508.23245	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79688	2.2
59.01381	22.9
59.01623	2.2
61.98829	100.0
71.01391	4.1
73.02928	3.3
85.02955	3.0
98.20499	2.6
101.02451	4.1
113.02437	4.2
134.35463	3.2
153.12820	33.4
179.10770	3.3
196.15764	2.4
197.11829	32.8
279.75717	2.6
357.29327	2.6
470.59579	3.2
508.21326	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	507.2809
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
54.45884	0.7
55.61299	0.6
59.01378	77.4
62.30211	0.6
69.03447	0.8
69.30087	0.6
71.01375	8.3
73.02924	4.4
75.00845	1.0
77.34325	0.6
81.36346	0.6
83.01376	1.5
85.02923	6.1
88.95520	0.7
89.02435	0.7
90.73321	0.8
97.03011	0.8
97.59885	0.6
99.00852	1.7
101.02421	9.3
111.00886	0.9
113.02422	6.8
139.41472	0.6
161.04591	1.2
243.19606	1.1
310.35855	0.8
439.10727	0.8
447.26154	1.1
465.26740	1.2
489.27164	1.2
507.21725	4.0
507.28091	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	507.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55285	0.9
57.03445	1.3
59.01096	1.1
59.01378	29.0
71.01373	15.9
73.02942	9.0
75.00855	1.5
75.76089	1.2
80.31741	1.1
83.01371	4.4
85.02941	17.3
87.00814	1.2
89.02400	7.0
101.02434	17.5
113.02416	10.6
125.02419	1.2
125.69269	1.1
134.03712	2.2
136.31261	1.2
161.04492	1.8
267.19672	1.3
285.20700	35.8
296.36469	1.1
328.13159	4.7
429.24976	4.6
447.26144	64.4
465.27011	25.0
466.48318	1.1
507.20746	13.4
507.27994	100.0
531.03094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20118	1.0
73.88174	1.1
75.15848	1.3
78.95889	7.0
119.39129	1.2
149.68164	1.1
152.99579	25.3
159.25728	1.2
165.27472	1.2
170.84253	1.3
227.03259	2.4
279.23300	100.0
507.27380	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05513	1.3
55.01886	1.4
56.51290	1.5
57.03447	3.8
57.37516	1.4
59.01379	100.0
67.55923	1.5
69.03454	1.9
71.01374	43.2
71.80443	1.5
72.99281	2.7
73.02933	17.0
75.00862	21.9
75.67707	1.4
83.01373	7.1
85.02942	37.6
87.00842	10.1
89.02454	16.4
95.01346	6.9
97.02912	1.8
99.00850	12.5
101.02436	31.9
102.98586	2.0
111.00848	2.0
113.02428	37.7
115.00391	1.8
117.01910	1.9
119.03471	3.9
125.02423	2.7
129.02014	1.7
161.04533	6.6
164.04807	2.1
179.05661	1.9
179.07141	1.8
223.06155	2.2
259.19147	6.9
292.74442	1.7
301.18069	2.3
303.21851	3.4
403.23019	2.5
421.24405	7.7
447.26028	4.1
463.24814	32.0
465.27820	13.2
482.42093	2.0
491.48355	1.8
507.20978	93.9
507.27997	66.1
530.36267	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	54.7
61.05777	4.7
71.01366	57.1
73.02956	11.3
83.10493	5.3
85.02943	33.9
89.02427	27.2
95.01376	8.3
101.02427	45.9
104.07789	4.8
113.02400	26.3
121.76840	5.4
145.06573	10.4
155.28423	6.9
155.38875	6.7
161.04570	9.2
267.06635	12.7
269.08182	8.3
280.67419	5.6
281.08170	21.9
282.08841	6.6
315.18097	40.5
320.10852	6.1
447.17642	23.2
447.22763	100.0
459.18167	76.4
489.19012	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	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.7
62.13115	1.3
71.01375	30.0
73.02943	15.1
76.74551	1.4
83.01373	2.5
85.02934	16.5
87.54249	1.2
89.02451	5.8
99.00871	5.6
101.01789	2.3
101.02431	46.3
113.02443	21.5
129.01982	1.5
131.03477	17.3
136.46980	1.2
137.47287	1.2
143.03430	2.6
159.02934	5.1
161.04543	34.4
162.31310	1.3
196.93846	1.4
279.21008	1.6
315.18158	50.6
376.91034	1.5
447.22372	100.0
507.24353	8.5
513.42340	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67607	0.8
55.25598	0.8
55.42425	0.8
59.01377	100.0
71.01373	12.8
73.02940	6.8
74.01608	0.9
75.00868	1.6
83.01402	1.4
85.02936	8.8
87.00840	2.1
87.52916	0.9
89.02436	3.7
98.73398	0.9
99.00866	2.0
101.02441	15.5
110.58211	1.0
113.02426	12.3
161.04494	2.1
176.34746	1.1
338.61844	1.2
377.54895	1.1
421.24338	2.2
447.25882	5.0
463.25507	87.4
465.23560	1.5
475.25153	1.1
491.30289	1.4
507.20981	4.4
507.28210	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.03435	3.4
59.01379	78.8
71.01369	51.0
72.99278	3.4
73.02929	20.6
75.00876	20.3
83.01382	4.0
85.02937	51.2
87.00867	8.2
89.02431	19.2
92.19960	2.1
95.01377	3.8
97.99133	1.7
99.00857	13.0
101.02435	49.8
111.00845	3.2
112.01620	2.3
113.02422	48.9
119.03474	3.5
125.02465	2.0
134.06110	2.9
159.02905	3.4
161.04532	12.6
285.20773	27.7
293.01648	2.6
315.18143	15.6
334.83777	2.1
346.14743	2.2
421.24515	3.1
429.24689	3.4
447.21875	32.6
447.26257	42.2
463.25211	12.8
465.26978	24.6
507.20685	77.2
507.28088	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	507.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
70.45081	3.3
71.01368	30.1
73.02937	4.6
73.73532	3.9
73.88113	3.0
79.04664	3.6
82.95406	17.7
83.02501	5.0
85.02942	15.7
98.67348	3.5
99.00903	3.7
101.02419	8.6
113.02450	6.6
113.15225	4.1
118.06599	6.9
119.06897	4.2
164.07127	4.5
168.05026	3.4
180.93762	3.9
196.52565	4.2
285.20483	3.9
403.19678	46.0
421.20560	5.8
447.25146	45.9
463.21521	4.4
465.26877	5.3
507.28113	45.5
528.31360	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	507.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83796	2.0
59.01377	31.9
71.01379	35.4
73.02937	7.8
83.01399	2.2
85.02927	8.7
87.00848	4.6
89.02431	28.7
101.02444	33.1
113.02420	19.0
119.03477	9.2
125.96579	2.1
131.03476	16.5
131.07133	3.0
161.04532	17.5
167.73247	2.0
179.05637	4.8
203.08224	3.4
213.96953	1.9
221.06693	13.4
245.09319	4.0
246.09436	2.0
281.04263	2.8
297.04123	4.2
300.06528	7.2
315.08957	14.2
327.08688	10.0
463.22092	3.0
507.20865	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	507.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75061	0.8
57.03440	1.7
59.01087	1.1
59.01376	30.9
66.67556	0.8
71.01371	15.6
72.99289	3.7
73.02956	1.7
75.00866	20.7
83.01360	1.6
85.02932	23.3
87.00879	6.4
89.02425	7.9
95.01366	2.1
99.00861	7.4
101.02437	6.5
113.02427	28.3
115.00339	1.3
117.01923	1.2
119.03410	1.5
121.23118	0.9
173.04536	1.1
173.40094	0.8
234.76060	0.8
285.20825	1.0
288.92203	0.9
403.19495	1.0
465.26617	1.0
507.20822	100.0
507.27377	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	507.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86494	1.8
57.03444	2.0
59.01375	67.6
64.90202	1.7
68.91625	1.4
71.01374	34.3
73.02935	43.1
73.64021	1.5
75.00858	3.3
82.02585	1.6
83.01374	10.7
85.02926	4.1
87.00864	7.7
89.02417	17.4
90.32859	1.7
96.50433	1.6
96.96056	2.7
98.95041	1.9
99.00894	1.8
101.02426	42.0
111.00904	2.5
113.02438	16.9
119.03479	3.6
128.03404	1.6
139.07607	3.5
143.03484	1.7
153.05612	1.7
161.04514	2.7
169.12318	4.1
197.11740	2.1
215.12817	6.5
223.06065	1.8
241.14282	2.1
362.68048	2.2
377.18213	2.7
414.36060	1.7
419.19254	1.9
447.22092	2.9
463.21902	100.0
507.16608	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	507.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03451	4.5
57.72274	1.2
58.73407	1.0
59.01378	49.7
68.13529	1.0
69.03465	1.0
71.01366	19.7
72.70502	1.2
72.99281	2.0
73.02917	9.6
75.00859	23.3
83.01384	2.7
85.02942	32.9
87.00875	6.5
89.02434	2.4
95.01378	5.2
99.00876	12.4
101.02425	12.5
111.00841	1.3
112.01596	1.3
113.02425	41.3
115.00380	1.9
129.01932	1.1
157.01413	1.9
161.04605	2.7
203.59752	1.1
209.24783	1.3
465.19495	1.2
507.20926	100.0
507.28033	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	507.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25374	0.8
55.88570	0.8
57.03451	2.0
59.00311	0.8
59.01377	27.6
71.01371	21.7
72.99265	2.1
73.02949	5.1
75.00861	22.1
80.56622	0.8
83.01374	1.7
85.02941	30.4
85.30415	1.0
87.00867	7.9
89.02451	1.0
95.01383	3.8
99.00849	8.9
101.02428	7.8
113.02432	28.0
115.00356	3.5
117.01947	1.3
124.73279	1.0
145.60941	1.0
161.04462	1.2
175.02386	1.3
289.16479	1.1
507.20853	100.0
507.27567	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	507.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81589	1.0
51.80482	1.2
55.70592	1.0
57.03433	1.2
58.15765	1.2
59.01379	56.1
71.01372	44.5
73.02940	43.4
75.00857	5.0
83.01376	9.3
83.05042	1.2
85.02927	11.0
87.00871	6.9
89.02415	10.8
99.00866	5.5
101.01784	2.2
101.02425	36.3
111.00867	1.5
113.02417	18.0
119.03480	1.5
123.20442	1.3
127.54990	1.2
142.99609	1.3
160.23970	1.1
161.04550	2.9
197.11833	2.4
199.94252	1.3
215.12834	10.2
223.13348	4.9
241.05103	2.0
255.06638	1.7
256.07431	7.4
268.07327	1.7
296.06873	2.3
297.04022	7.7
300.06308	5.2
303.94644	1.4
306.72070	1.4
312.06342	12.0
315.08701	21.8
327.08704	27.4
327.12225	2.0
345.09625	1.9
359.17029	2.0
377.18149	17.2
419.19168	23.6
445.20792	1.7
463.21854	100.0
507.20789	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	507.1871
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01375	37.2
61.37619	1.9
68.57368	1.7
71.01364	8.7
73.02956	3.6
85.02887	2.3
88.78606	2.1
89.02427	4.2
93.03439	2.2
101.02434	4.8
113.02393	3.3
136.05252	3.2
143.31555	2.1
149.06021	8.8
161.04608	2.7
162.06871	3.4
164.04803	8.3
165.05566	9.6
179.07045	3.4
180.07886	3.3
200.39906	1.9
255.10258	22.3
267.06818	3.2
267.09924	3.4
268.11099	7.5
285.11203	8.9
285.16141	17.7
315.08890	4.2
315.12329	31.8
327.12390	17.9
345.13449	100.0
386.72653	2.0
507.18845	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	507.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37423	3.1
59.01372	53.2
64.79479	3.1
65.12583	3.0
71.01371	87.8
71.23512	3.1
73.02934	21.2
83.01403	6.3
85.02949	30.7
85.38663	3.0
87.00867	5.7
89.02422	28.9
92.50191	3.2
93.76927	3.4
95.01354	3.0
96.96002	4.7
97.02935	3.6
99.00883	6.8
101.02422	66.8
103.05536	15.3
106.04234	13.2
107.03270	4.1
109.06542	27.2
110.03710	15.0
113.02431	46.3
119.03507	12.8
119.05014	12.8
121.06578	100.0
121.29189	4.4
131.03471	14.6
137.70634	3.7
139.07658	4.5
143.03502	4.7
159.02895	6.3
161.04533	47.9
165.05449	5.1
173.33530	3.3
221.06635	6.5
268.74307	4.1
371.16373	3.6
445.17221	51.3
463.18213	90.8
474.90118	4.3
477.69958	4.0
489.16348	20.0
507.17056	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	507.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57538	1.9
59.01379	39.1
65.53181	2.1
69.60834	2.1
71.01359	26.9
72.23070	2.5
73.02934	17.0
80.67900	2.4
85.02921	3.9
87.00848	17.6
89.02435	45.2
92.20023	3.6
101.02428	40.1
113.02414	24.9
119.03469	15.1
121.06539	3.5
131.56876	2.1
139.07649	33.3
165.05559	4.7
167.61679	2.4
179.05562	3.4
239.03603	3.1
242.43040	2.5
251.70894	2.4
271.06097	43.0
285.07666	10.9
286.08395	9.8
323.09787	13.6
341.10919	14.2
345.09653	28.6
441.68512	2.5
460.49606	2.5
463.21896	23.9
507.17068	100.0
507.24472	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	507.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43678	0.5
59.01356	1.0
65.31620	0.5
71.01376	0.8
75.00864	6.1
83.41367	0.7
85.85700	0.5
87.00858	11.2
89.02452	0.9
99.00875	3.6
101.02440	0.9
105.01248	1.1
105.01920	18.1
129.01942	1.4
147.02971	5.4
165.04030	100.0
170.05684	0.7
329.39719	0.6
356.62277	0.6
440.07919	0.7
463.18005	0.9
534.47809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.8
59.89936	0.5
62.41980	0.5
63.41106	0.6
69.25102	0.6
71.01379	0.7
75.00867	5.5
86.74086	0.5
87.00871	12.1
89.02444	0.5
99.00845	3.8
101.02456	1.2
105.01917	19.7
117.01925	0.7
129.01912	2.7
147.02997	4.8
165.04022	100.0
239.22722	0.5
351.22357	0.6
390.71710	0.6
476.16953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	33.4
62.71138	2.1
71.01377	17.8
73.02943	26.1
77.88148	1.9
83.01379	2.5
85.02958	3.5
87.00835	2.3
89.02413	9.2
96.95994	2.2
97.76912	2.1
101.02422	24.0
113.02448	8.6
121.02921	2.2
187.44762	2.1
190.71860	2.2
196.79425	2.0
241.05051	16.4
251.07028	2.6
253.05025	3.7
255.06628	8.7
256.07428	24.4
268.04172	2.3
268.07434	11.0
271.09705	9.0
282.05133	2.3
283.06125	4.6
296.03976	2.4
296.06891	19.4
297.04034	41.6
300.06451	22.4
311.53268	2.4
312.06409	55.6
314.07779	10.0
315.08789	80.9
327.08737	100.0
345.09741	18.5
377.18121	2.7
419.19220	12.2
463.15842	3.4
463.21872	43.5
507.14438	4.5
507.20956	9.6
534.44495	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14517	1.2
59.01374	7.9
64.55370	1.6
71.01373	2.8
89.02415	1.8
92.11645	1.6
101.02413	2.0
104.92836	1.8
153.01910	2.1
225.05563	2.9
237.05299	1.7
251.07057	2.9
252.08151	1.9
253.04939	14.4
256.07507	2.1
268.07425	16.7
269.04529	10.0
271.17084	3.1
281.04471	6.8
282.05374	3.3
284.06961	12.7
296.06964	17.3
296.20905	1.6
297.04044	74.1
297.07193	3.5
311.05399	1.9
312.06387	46.5
327.08737	100.0
384.41342	1.6
507.21634	2.4
507.28296	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	507.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99398	1.3
59.01384	10.5
62.72212	1.3
63.42260	1.4
71.01379	11.0
73.02936	2.3
74.39247	1.4
87.00848	3.7
89.02431	10.1
101.02415	9.4
113.02465	6.7
119.03463	2.9
121.02943	2.1
131.03453	3.2
156.20274	1.5
161.04555	7.0
164.04749	2.3
165.05560	6.1
194.02115	1.8
199.11940	1.5
221.06693	1.8
223.06187	3.4
225.05756	1.6
240.04633	2.1
241.04987	16.2
253.05066	8.9
255.06593	3.0
256.07440	29.3
268.04022	1.9
268.07382	15.2
269.04572	2.1
271.09802	9.1
281.04517	3.7
282.05203	5.6
283.06393	1.9
283.09622	2.8
284.06870	7.3
295.06021	1.9
296.06766	15.4
297.04062	39.5
297.07361	2.6
299.05545	3.5
300.06393	32.4
311.05719	2.4
312.06418	49.2
314.08203	2.6
315.08759	100.0
315.12445	3.7
327.08771	91.4
328.96783	1.8
345.09851	13.8
345.13412	2.6
390.08749	1.6
463.21796	2.8
507.14661	7.2
507.21078	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	507.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16479	0.3
51.46029	0.2
53.61324	0.3
54.51750	0.2
67.98517	0.3
74.19401	0.3
86.84988	0.3
87.16235	0.3
110.09377	0.3
121.02992	0.5
122.03709	3.3
123.04501	32.8
137.02457	0.3
142.48991	0.3
145.02957	1.2
147.04515	2.5
148.04796	0.5
150.03214	1.3
164.07137	2.9
165.05548	100.0
166.05891	1.2
209.04617	1.2
209.72733	0.4
242.17502	0.3
253.03519	9.1
253.05859	0.5
260.51068	0.3
272.17667	0.3
300.29901	0.3
345.08270	0.3
455.80563	0.3
488.38074	0.3
496.33463	0.3
507.07880	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	507.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.2
65.49355	0.6
67.30679	0.5
69.31748	0.6
71.01369	0.6
78.95898	4.0
79.95706	0.7
96.95996	100.0
96.96902	8.5
101.02443	0.7
108.09952	0.6
109.94360	0.6
123.69231	0.6
145.93279	0.7
149.31432	0.6
434.50040	0.6
442.61227	0.7
482.93692	0.7
487.90512	0.6
507.17941	0.8
507.24838	0.8
508.12308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68574	1.7
59.01376	8.1
68.39634	1.6
78.40286	1.9
91.05523	11.0
118.06611	39.0
147.04488	11.2
158.09721	7.0
192.88519	2.0
200.10759	2.5
312.42310	1.8
400.38626	2.4
419.58505	1.9
432.22772	8.4
446.24533	100.0
506.28818	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	506.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95399	0.8
52.71825	0.8
59.01366	1.5
67.96322	0.9
79.29889	0.9
82.06621	1.4
84.08168	4.4
102.34473	1.0
123.04501	45.2
130.08716	100.0
157.13474	5.7
175.74533	0.9
180.13951	1.6
181.09796	8.3
197.16585	68.0
206.30220	1.0
209.14218	1.6
224.15381	1.2
225.08914	2.6
225.19664	1.6
241.15604	1.1
253.19206	4.9
268.14301	5.7
315.10773	0.9
327.28381	1.1
338.28107	24.6
344.14023	1.0
368.25436	1.0
382.27124	27.5
421.72986	1.1
506.13974	2.1
506.32425	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61152	1.3
59.01376	9.4
66.35850	1.3
71.01384	1.5
71.37103	1.5
72.00913	5.1
77.53975	1.3
89.02426	7.8
97.96372	1.3
101.02429	2.8
113.02473	2.1
119.03505	1.9
147.04504	31.3
164.07166	100.0
180.43893	1.5
181.05045	5.5
182.05418	1.9
341.10947	21.9
506.19141	3.1
511.70898	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94957	0.9
54.08824	1.0
59.01373	7.3
64.69096	1.0
78.81781	0.9
80.94070	0.9
85.45644	1.0
88.29456	0.9
91.05537	9.2
91.06013	1.2
91.26642	1.1
96.04516	4.7
102.71858	1.1
117.60031	1.1
118.05788	1.4
118.06609	39.0
132.48367	0.9
137.33708	1.2
139.32280	1.0
147.04539	9.8
150.22954	1.0
156.08162	1.3
158.09694	8.5
164.07158	4.2
168.29399	0.9
200.10843	3.9
212.14441	1.3
214.12520	1.2
244.09729	3.5
245.10486	1.2
249.10219	1.1
255.14743	1.1
255.18668	1.1
279.17288	1.2
298.19275	1.3
402.25586	1.6
432.22830	5.8
446.24496	100.0
513.67053	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	506.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49001	1.2
64.33974	1.5
77.38831	1.6
89.59807	1.4
90.10126	1.5
98.15776	1.4
102.05594	6.4
108.02148	11.8
111.31645	1.6
111.98281	1.8
123.04503	47.9
128.03523	21.9
146.04564	3.4
152.01117	8.5
166.05217	1.9
167.03474	52.4
177.04346	1.8
178.05070	6.7
192.06656	8.5
193.07323	2.3
208.09764	2.2
218.04523	2.8
219.05487	2.4
234.07642	2.7
251.08020	14.6
252.08781	10.5
266.10284	7.8
377.12372	7.7
457.42743	1.5
462.32028	2.2
490.28973	1.8
506.16647	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	506.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36898	2.0
51.78673	2.0
58.04094	3.0
59.01368	22.6
59.85431	2.3
62.09566	2.1
66.01945	2.1
70.81251	2.2
71.01375	27.1
73.02932	4.2
85.02941	4.4
87.00881	3.0
89.02441	18.9
97.02953	10.2
101.02447	18.9
113.02427	15.6
119.03447	5.4
120.04528	15.4
125.06061	10.5
131.03464	12.1
138.05586	23.2
161.04532	14.1
164.03528	46.6
176.43256	2.4
208.10976	4.1
209.11330	4.1
221.06633	13.5
252.09897	18.9
253.09991	5.6
300.10925	12.1
481.38681	2.7
506.15192	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	506.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99463	0.8
54.23439	0.7
55.03886	0.8
57.32237	0.8
59.01371	4.2
67.26162	0.8
87.00853	8.6
109.33860	0.8
119.05005	86.8
133.77263	0.9
136.07666	72.7
153.74988	1.0
163.03999	100.0
180.06673	21.1
240.11807	0.9
242.08253	4.1
275.08685	0.9
325.09283	30.6
374.08603	1.1
381.06439	1.1
506.09195	4.6
521.53082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
61.06786	0.6
63.96243	6.9
66.67078	0.5
71.01386	2.5
72.00894	3.2
89.02426	3.2
90.01859	0.6
96.95981	4.1
119.03470	0.8
122.03699	3.2
123.04497	37.1
125.06019	0.6
132.03008	2.5
137.02357	0.7
147.04497	18.4
150.03210	0.8
153.41270	0.6
164.03879	2.4
164.07155	54.9
165.05540	100.0
252.05119	3.0
253.03490	5.0
253.09943	0.7
341.10815	6.2
403.19363	0.6
410.99979	0.7
506.19034	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	506.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41168	0.3
61.98815	0.3
63.96236	7.9
75.07246	0.3
89.02486	0.4
100.04654	0.3
116.07163	0.6
121.02946	0.4
121.73016	0.3
122.03725	4.7
123.04505	34.9
125.06067	0.5
126.88097	0.3
132.02982	0.7
147.04517	0.8
150.03177	1.7
164.03894	4.1
164.07137	3.6
165.05550	100.0
170.80809	0.3
208.10909	0.3
209.04587	0.7
252.05028	0.8
252.09938	0.8
253.03510	2.7
253.10161	0.5
406.04797	0.4
452.24054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2822
Annotation	Hemsine D
Peak:m/z	Relative Intensity
50.34940	1.5
56.22797	1.4
59.01375	22.9
71.01355	3.6
73.02895	2.0
84.09368	1.5
85.02959	2.1
87.00842	1.9
119.05013	2.5
130.08694	2.5
133.05319	28.7
134.06108	47.2
139.08766	7.5
140.07233	1.9
140.10735	1.5
144.04585	1.7
153.08847	1.7
153.50235	1.6
160.04041	2.8
171.05640	2.1
187.05072	14.7
204.13881	2.9
216.05255	1.6
229.13432	2.0
230.11870	6.8
231.14908	2.2
242.11789	2.1
245.12921	2.1
247.14497	100.0
257.12906	3.8
257.17490	2.0
262.08850	1.7
273.12418	35.7
282.67126	1.8
365.23016	1.7
377.19247	1.6
413.21820	20.1
419.18167	2.7
428.39911	1.7
461.23837	14.0
505.28192	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34940	1.5
56.22797	1.4
59.01375	22.9
71.01355	3.6
73.02895	2.0
84.09368	1.5
85.02959	2.1
87.00842	1.9
119.05013	2.5
130.08694	2.5
133.05319	28.7
134.06108	47.2
139.08766	7.5
140.07233	1.9
140.10735	1.5
144.04585	1.7
153.08847	1.7
153.50235	1.6
160.04041	2.8
171.05640	2.1
187.05072	14.7
204.13881	2.9
216.05255	1.6
229.13432	2.0
230.11870	6.8
231.14908	2.2
242.11789	2.1
245.12921	2.1
247.14497	100.0
257.12906	3.8
257.17490	2.0
262.08850	1.7
273.12418	35.7
282.67126	1.8
365.23016	1.7
377.19247	1.6
413.21820	20.1
419.18167	2.7
428.39911	1.7
461.23837	14.0
505.28192	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77002	1.5
59.01375	44.8
65.14546	2.1
71.01364	10.3
77.45107	1.8
86.68443	1.8
89.02422	19.4
95.01447	2.1
101.02448	18.2
105.73866	1.9
113.02445	8.8
119.03481	3.0
130.96532	1.9
219.13928	7.1
263.20221	10.4
265.18118	22.7
281.21201	3.2
283.19284	7.7
299.09274	2.7
301.10684	3.5
325.07263	8.1
445.24579	9.2
505.26624	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	505.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01369	6.1
73.02966	1.1
76.36718	1.0
84.79920	1.2
85.02985	1.3
89.02437	5.1
93.91730	1.1
95.03999	1.1
98.68559	1.1
101.02452	5.0
102.55537	1.2
113.02441	4.7
146.47992	1.1
320.38928	1.2
385.22278	13.9
403.23303	2.2
445.24454	10.0
505.18561	2.3
505.28030	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	505.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05294	1.1
59.01376	25.1
67.00595	1.4
69.08968	1.3
71.01376	8.3
71.05003	1.9
73.02937	2.0
75.32986	1.1
85.02985	1.3
89.02451	11.3
92.19868	1.5
101.02415	12.2
109.06596	1.6
111.08128	2.0
113.02436	6.8
119.03479	1.7
121.10241	1.8
139.07623	7.6
173.08052	1.8
203.09286	19.1
207.17288	1.4
212.51971	1.3
261.18582	1.5
297.07660	1.4
298.10934	1.3
307.19241	2.4
325.20273	14.3
327.21741	10.5
343.21460	10.3
505.26636	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	505.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	1.3
59.01377	29.7
71.01379	26.5
73.02940	8.5
83.01379	3.6
83.33787	0.9
85.02930	10.9
88.40098	0.9
89.02431	12.7
95.97724	0.9
97.02946	1.2
99.00850	4.2
101.02421	34.5
101.06069	1.3
111.00891	1.4
113.02421	12.9
125.02423	1.8
131.03468	9.5
143.03502	1.8
149.04453	1.4
159.03009	1.5
161.04549	13.1
168.01682	1.0
174.73679	1.0
205.02737	1.1
313.16574	18.2
385.05823	0.9
385.81049	1.0
426.20807	0.9
445.20816	100.0
447.69324	1.0
505.22586	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	505.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.8
60.58123	2.5
71.01370	26.7
73.02929	6.3
85.02935	11.5
87.00871	3.1
89.02433	24.1
93.54810	2.9
99.00890	6.2
101.02432	38.2
113.02407	21.4
126.96372	2.9
128.16743	2.7
129.09558	2.8
159.75789	2.8
161.04526	13.3
313.16626	7.1
322.76279	3.0
340.84723	3.0
438.22589	4.3
445.20822	100.0
526.08051	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	505.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	1.3
59.01377	29.7
71.01379	26.5
73.02940	8.5
83.01379	3.6
83.33787	0.9
85.02930	10.9
88.40098	0.9
89.02431	12.7
95.97724	0.9
97.02946	1.2
99.00850	4.2
101.02421	34.5
101.06069	1.3
111.00891	1.4
113.02421	12.9
125.02423	1.8
131.03468	9.5
143.03502	1.8
149.04453	1.4
159.03009	1.5
161.04549	13.1
168.01682	1.0
174.73679	1.0
205.02737	1.1
313.16574	18.2
385.05823	0.9
385.81049	1.0
426.20807	0.9
445.20816	100.0
447.69324	1.0
505.22586	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	505.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03795	1.0
59.01377	100.0
70.52483	0.9
71.01367	5.3
73.02528	1.0
73.02927	5.0
85.02945	1.9
87.00874	1.5
89.02425	2.1
92.19377	1.3
96.95999	4.9
101.02436	6.1
113.02435	1.8
116.23958	0.9
135.43802	1.3
149.04672	1.0
161.04527	1.8
175.11285	1.5
205.12325	1.4
275.94540	1.1
317.59088	1.0
445.20758	11.2
505.22653	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	505.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97705	0.7
58.04057	0.8
59.01374	17.4
59.30108	0.8
59.76464	0.7
80.83311	1.0
89.02416	1.5
95.71448	0.9
101.02443	3.7
103.03958	1.0
113.02402	1.3
130.20129	0.9
202.57655	0.8
209.11830	100.0
235.08145	1.6
240.02142	0.9
250.85593	0.9
253.09157	8.7
311.28799	1.0
320.40030	0.9
445.20731	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	505.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00427	1.1
57.03465	1.3
59.01084	2.5
59.01379	52.4
65.50324	1.0
70.36658	1.1
71.01378	41.9
72.31023	1.1
73.02932	14.9
83.01379	7.9
85.02943	17.5
87.00882	1.5
88.72449	1.2
89.02431	13.0
92.19987	1.2
99.00856	5.1
101.01787	2.8
101.02428	49.3
113.02435	24.8
119.03461	1.8
131.03493	18.6
134.36142	1.3
143.03462	2.1
149.06094	2.3
151.00333	4.6
159.03008	5.5
161.04539	28.7
236.97711	1.2
301.07178	13.6
303.43607	1.3
313.16586	49.0
316.91119	1.5
392.06754	1.3
445.20804	100.0
505.22833	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	505.2078
Annotation	[3R-(3a,4b,5a,5aa,6a,9b,9aa,10R*)]-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-Methano-1-benzoxepin-4,5,6,9,10-pentol 5-acetate 6-benzoate
Peak:m/z	Relative Intensity
55.14948	1.9
56.05919	2.1
59.01374	93.6
71.01366	21.4
73.02934	100.0
83.01373	20.6
89.02445	3.6
101.02422	48.1
101.03020	3.3
106.04223	19.4
107.05008	14.5
107.82718	2.2
113.02422	13.7
119.04982	5.6
127.52071	2.4
130.53580	2.4
131.03508	2.3
158.00835	2.8
161.04555	5.1
177.09222	20.2
221.06821	2.4
223.24794	2.4
235.56853	2.4
271.13354	14.8
283.13391	61.9
445.18509	10.6
463.19769	9.4
505.20810	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07113	0.6
55.54956	0.8
58.04094	10.9
60.47283	0.9
65.82972	0.8
66.82711	0.9
67.02991	1.6
69.03435	0.9
71.01370	20.2
80.06519	0.8
81.39851	1.0
82.04081	3.9
84.05656	1.5
97.02933	27.2
99.91566	0.8
105.07082	1.0
111.31506	0.9
114.03845	1.0
122.09730	3.4
125.06067	39.4
126.20747	1.0
140.83676	1.1
147.09270	3.8
149.06076	6.9
164.11873	7.1
166.08730	9.1
169.05009	6.1
190.05078	2.1
208.10901	43.5
212.29599	0.9
252.09880	100.0
315.00803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22137	0.8
57.03440	2.3
59.01379	37.9
64.97755	0.8
67.30688	0.8
71.01374	20.8
72.99294	5.6
73.02928	8.2
75.00864	26.4
83.01369	3.9
83.67788	0.9
85.02939	31.1
85.41496	0.8
87.00854	7.9
89.02433	9.6
93.96394	0.8
95.01344	4.2
99.00881	10.3
101.02444	9.7
109.17857	0.8
111.00852	1.5
113.02432	33.5
115.00298	3.3
117.01924	1.3
119.03447	1.4
131.03467	1.0
157.01407	1.3
167.10722	1.1
173.04489	2.0
175.02435	1.2
267.02823	1.1
325.06927	1.0
445.24222	1.1
505.19220	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	505.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03441	3.6
59.01380	37.8
68.99816	0.7
69.03448	1.3
70.99390	0.7
71.01369	22.0
72.99307	5.1
73.02938	11.4
73.39378	0.7
75.00862	25.1
83.01399	6.2
83.54771	0.8
84.34352	0.6
85.02939	29.9
87.00873	9.3
89.02436	8.6
90.84275	0.8
95.01371	3.1
96.95966	0.9
97.02924	3.3
97.77878	0.7
99.00872	8.8
101.02428	12.5
111.00831	1.7
113.02428	27.3
114.47120	0.8
115.00336	2.8
117.01902	1.7
125.02403	0.9
129.01939	1.4
131.03442	4.9
139.78210	0.8
161.04430	1.1
165.05492	0.9
167.10703	2.8
173.04549	5.2
175.02385	0.9
193.03468	1.6
193.05078	1.2
235.04431	1.3
238.75081	0.7
379.08716	1.0
406.51541	0.9
461.23996	1.1
505.19275	100.0
505.25912	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	505.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31392	0.5
53.62419	0.6
59.64817	0.6
68.29304	0.7
83.83831	0.6
108.02171	6.9
109.02993	0.8
111.16871	0.6
119.47107	0.8
121.66541	0.7
123.00899	0.7
123.04511	37.1
124.01624	0.8
127.05140	14.7
128.03523	9.0
136.01627	0.7
145.06184	10.0
148.04044	1.3
153.03073	5.9
164.03523	27.2
165.04340	1.4
166.05045	3.0
167.03433	2.8
171.04070	0.9
176.15062	0.7
177.04288	2.8
178.05116	11.1
192.06705	10.0
233.09332	3.4
234.07809	0.9
236.08037	83.8
251.10382	50.0
251.13011	1.6
262.06094	1.2
277.08304	26.4
295.09335	3.6
309.10989	1.2
344.46793	0.7
475.51675	0.7
487.17331	4.5
505.18317	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	505.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.1
61.28559	1.7
87.00866	12.2
87.95544	1.9
96.95971	2.4
108.02103	2.7
123.04510	54.6
135.04527	2.7
142.79980	1.9
149.06064	10.0
152.01093	2.2
161.02377	4.2
165.05545	21.0
167.03482	28.9
179.03529	7.6
181.05057	4.8
184.18098	2.2
193.05035	18.9
195.03003	25.6
214.97214	2.0
238.08498	2.0
253.10786	4.1
255.05087	100.0
317.28409	2.1
505.14993	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	505.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84904	2.1
58.02967	9.9
59.01372	10.6
59.45917	2.1
70.02950	4.0
71.06058	2.2
74.02464	38.2
74.45673	2.4
75.86476	2.5
95.33582	2.2
98.02473	4.7
99.51165	2.2
116.03519	23.2
116.05046	4.4
125.09702	3.2
158.48099	3.0
171.10313	4.1
201.10272	3.9
203.08260	75.3
215.09305	9.4
245.09283	100.0
426.62238	2.8
520.81659	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	505.1718
Annotation	5-Hydroxycampenoside
Peak:m/z	Relative Intensity
53.83316	1.2
55.04123	1.2
55.43251	1.2
56.07742	1.3
59.01368	5.5
59.52399	1.1
70.21693	1.2
85.00261	1.2
92.19410	1.8
93.03442	16.6
109.06062	1.3
133.98862	1.3
134.19768	1.5
157.63992	1.9
171.26442	1.4
175.07639	1.8
225.69341	1.7
253.08698	21.7
254.09465	20.9
265.08670	25.9
266.09506	24.3
269.11877	14.2
281.11902	2.8
295.09808	10.2
307.09735	8.2
313.10818	100.0
325.10812	45.2
329.95801	1.5
343.11774	20.2
351.71643	1.6
505.17160	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1568
Annotation	Allobetonicoside
Peak:m/z	Relative Intensity
54.91336	0.4
56.72329	0.4
59.01371	3.0
67.73370	0.5
67.82317	0.4
68.26186	0.4
69.92718	0.4
71.01376	0.8
73.02858	0.4
74.64263	0.4
93.03432	1.8
96.96024	0.6
97.02928	2.1
97.46600	0.4
109.02899	1.0
109.06570	0.9
110.12257	0.4
119.04954	1.0
121.02923	1.6
125.06040	2.3
135.04520	1.0
136.04843	0.7
137.02425	0.8
137.06071	19.4
157.73199	0.4
161.02437	2.2
162.02783	0.5
163.04015	1.8
166.08749	0.5
167.00821	0.5
173.04536	2.2
181.05060	100.0
208.10881	2.9
252.09920	7.3
343.10315	35.0
505.15369	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	505.1718
Annotation	5-Hydroxycampenoside
Peak:m/z	Relative Intensity
50.33810	0.7
54.89097	0.9
57.00895	0.8
58.66416	0.8
58.88122	0.8
59.01368	1.4
60.91277	0.9
76.90256	0.9
105.32855	0.9
108.42770	1.0
121.02924	6.1
123.04487	4.7
125.68253	1.2
159.04518	1.1
171.75630	1.0
239.07143	12.5
251.07021	4.9
253.08635	5.1
254.09401	9.3
265.08762	3.6
266.09430	7.4
267.31650	0.9
269.11798	5.0
281.08179	32.4
293.08167	1.2
301.62430	1.1
303.51620	1.0
307.09756	1.6
310.08533	3.5
313.10828	100.0
319.17603	1.1
325.10806	37.7
343.11813	15.5
505.17117	26.8
505.23532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83250	1.4
52.40355	1.4
59.01377	94.8
62.53466	1.8
69.03446	4.2
71.01371	46.9
73.02934	72.2
75.00867	3.0
83.01377	16.4
85.02930	17.6
88.63289	1.8
89.02424	16.4
95.01343	3.4
96.95975	2.9
97.02927	10.2
98.69862	1.8
99.00860	3.4
101.02435	62.5
102.85537	1.6
108.02117	3.7
111.00899	2.6
113.02430	30.3
119.03467	6.8
123.04504	50.3
124.01640	11.7
125.02430	31.4
131.03481	8.3
131.05215	2.2
135.53145	1.6
137.02515	2.4
139.04010	10.4
143.03487	7.2
148.87067	1.7
149.04579	3.1
150.72450	2.2
152.01184	7.1
161.04550	11.6
165.05615	3.2
167.03485	100.0
203.05562	2.4
221.06558	6.1
255.43785	1.8
263.07806	8.8
305.08752	10.4
323.09818	9.9
337.07605	2.7
365.10944	33.2
445.13452	4.2
463.14462	2.7
505.15289	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	22.6
77.28811	1.7
87.00835	1.9
87.40282	2.0
91.05517	100.0
96.95968	4.1
99.72029	1.8
113.25834	1.8
120.99623	2.1
125.72291	2.0
125.78796	1.9
135.04518	4.6
148.17532	1.7
151.16414	2.2
163.04005	69.7
179.03482	8.6
213.86273	1.8
227.07039	1.8
253.69043	1.9
254.83649	1.9
281.08401	2.3
295.36847	2.1
315.98746	1.8
410.92661	1.8
445.20615	2.5
505.14075	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1566
Annotation	Allobetonicoside
Peak:m/z	Relative Intensity
50.54520	1.8
53.65839	2.1
55.01884	1.5
59.01379	47.5
61.08102	1.7
68.92030	1.9
71.01374	47.1
73.02937	11.8
83.01363	2.9
85.02937	21.1
89.02427	16.7
91.85161	2.0
92.67882	2.2
95.01380	3.8
96.96004	19.7
101.02434	28.1
102.98582	4.0
104.03105	1.9
113.02438	27.4
119.03465	2.6
123.00874	34.1
123.04422	2.0
124.01646	50.4
125.02389	2.3
137.02412	3.1
138.03223	55.1
139.03996	100.0
149.02425	2.6
150.56287	2.2
161.04561	10.4
161.05902	2.4
163.04102	3.0
164.04694	2.4
179.07103	13.0
181.05043	9.9
238.39847	2.6
283.08276	2.9
301.09213	7.7
343.10333	35.3
445.12872	1.9
463.14636	41.0
484.38971	2.1
505.15695	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15761	1.6
52.82660	1.7
59.01379	39.7
67.64420	1.7
71.01379	18.8
73.02931	2.2
75.75539	1.9
85.02946	4.5
89.02418	21.3
93.65100	2.6
96.29372	2.0
96.34654	1.9
96.74860	1.9
101.02423	17.8
109.32896	2.1
113.02438	3.6
117.27478	2.1
119.03458	8.6
138.89786	1.9
143.90198	1.9
163.50331	2.0
170.53583	1.8
202.99303	2.1
223.03972	4.7
228.05301	2.1
235.03851	3.1
236.04916	2.7
238.06262	9.4
239.03462	7.4
251.03467	21.4
253.05191	2.4
255.02972	3.8
256.38202	1.8
263.20224	4.8
265.18018	22.3
266.05884	29.2
267.06369	2.0
269.04605	2.5
281.08209	19.7
281.21231	2.5
283.19122	3.4
298.04504	3.9
299.05905	3.3
299.09250	57.6
311.45682	2.2
325.07169	100.0
409.75827	1.9
440.15948	2.2
445.24231	9.1
461.23441	2.3
495.71085	2.5
505.14151	4.2
505.26575	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1357
Annotation	Streptonigrin
Peak:m/z	Relative Intensity
51.37007	3.3
59.01388	5.6
60.12069	3.8
60.26943	4.0
70.19798	3.5
78.74440	4.0
83.28987	4.3
87.00853	39.8
119.04991	10.5
121.02937	8.2
122.03726	10.1
123.04494	10.3
130.99867	9.4
142.91811	4.2
147.04512	6.4
163.04001	4.4
164.04694	4.7
165.05489	6.2
175.03976	25.4
176.04738	25.4
177.90567	4.5
191.07112	66.0
192.04243	6.5
193.05069	7.9
207.06569	18.4
271.09854	8.1
283.06128	5.3
298.08432	6.1
445.11313	22.9
505.13596	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	505.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.2
71.01367	1.7
86.16269	1.4
89.25813	1.6
94.54086	1.5
96.96031	1.7
100.27493	1.5
101.02425	2.3
105.03447	9.0
134.03740	12.7
148.05269	2.8
149.02435	98.5
149.06076	55.8
162.03271	8.1
163.04025	2.4
167.03485	2.4
175.03972	3.3
186.33130	2.0
205.05159	1.8
231.63626	1.8
257.07944	1.9
266.09473	2.9
269.11877	8.4
278.58105	1.6
281.11819	4.0
283.06116	2.0
299.09314	100.0
299.12939	10.5
328.04483	1.6
343.11816	21.1
461.14621	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.31
Annotation	LysoPE(0:0/20:2(11Z,14Z))
Peak:m/z	Relative Intensity
53.55419	4.2
55.28998	4.0
60.87508	3.8
64.29607	4.0
74.34099	4.4
85.84412	4.3
117.61277	5.2
156.00128	4.8
307.26465	100.0
398.14920	4.9
500.66281	4.8
504.30862	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	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	35.1
63.71390	1.6
71.01362	12.9
89.02429	21.8
89.25256	1.7
89.71668	1.7
97.74287	1.7
98.08713	1.8
101.02419	16.8
102.72911	1.8
103.47310	2.3
111.72244	2.1
113.02441	11.1
118.10509	1.9
119.03455	3.7
128.00006	1.8
145.68083	2.0
204.09909	2.0
210.40858	2.1
214.03870	2.2
223.03931	8.1
235.03987	2.6
238.06297	10.7
250.06407	4.0
251.03477	17.3
253.05096	3.1
255.02876	4.4
263.20151	3.9
265.18066	13.8
266.05841	29.1
281.08105	23.4
294.76093	2.2
298.04776	4.0
299.09253	55.3
301.10049	2.3
314.12119	2.0
325.07184	100.0
409.93890	2.3
445.24509	3.4
487.25824	2.3
505.14340	2.3
505.26633	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.338
Annotation	Yardenone A
Peak:m/z	Relative Intensity
51.06288	4.9
51.22766	4.8
54.47525	4.2
57.16215	5.1
66.72975	5.1
68.87703	5.2
121.65938	5.0
128.22958	5.8
177.33208	6.5
265.80002	6.0
266.03619	5.9
269.17731	5.6
307.84946	5.1
361.38159	6.2
485.32581	28.9
503.33951	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	504.3097
Annotation	Talaroconvolutin B
Peak:m/z	Relative Intensity
59.01361	0.5
64.57873	0.4
73.69543	0.3
78.95899	2.5
107.42496	0.4
122.60641	0.4
124.67271	0.4
136.89259	0.3
145.35310	0.5
152.99573	0.7
168.04329	1.0
189.93513	0.5
199.31174	0.4
208.73366	0.4
224.06931	0.5
242.07982	2.4
260.72299	0.4
261.22266	0.5
279.23288	100.0
279.86838	0.4
504.30991	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	504.31
Annotation	Talaroconvolutin B
Peak:m/z	Relative Intensity
56.91794	0.6
57.99535	0.7
59.01379	8.8
66.58521	0.6
70.06684	0.6
73.07068	0.7
75.94167	0.6
78.76274	0.7
78.95895	16.2
79.12424	0.7
126.43357	0.7
152.99568	3.5
168.04291	4.6
175.06096	1.0
184.73795	0.7
193.07164	0.7
197.02750	0.6
224.06956	8.1
227.20139	8.1
242.07986	2.8
261.22296	0.7
279.23291	100.0
285.66235	0.8
385.25977	1.0
403.26993	3.3
445.28128	1.6
456.02588	0.9
496.83701	0.7
504.31009	54.1
518.94189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3381
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
59.01368	3.7
69.18546	2.7
69.38139	2.2
74.29535	2.1
202.33403	2.8
340.62372	3.0
409.57834	2.8
453.29944	12.8
485.33005	22.1
503.33835	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	503.2666
Annotation	Lotusine D
Peak:m/z	Relative Intensity
58.02965	10.9
59.01382	2.7
62.47938	1.0
63.52485	0.9
74.02458	12.9
88.66611	1.1
110.06070	2.1
116.05050	15.2
124.07648	6.3
130.06622	1.3
131.27328	1.1
137.99210	1.3
142.06586	2.0
157.07664	6.0
159.09274	2.2
186.05637	1.3
203.08218	19.5
219.15030	10.2
239.11966	1.5
374.20801	5.3
503.26669	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	503.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92028	0.7
59.01378	10.3
71.01369	1.5
72.00900	0.9
73.02914	1.8
85.02956	1.7
93.03437	2.1
93.64247	0.9
98.59415	1.0
101.02457	1.3
111.00887	1.2
113.02412	1.0
115.08750	5.6
119.05001	9.8
126.05605	1.7
127.05109	1.5
127.08699	1.0
129.10324	2.0
134.06119	11.8
136.07642	1.7
140.39368	0.9
141.06662	8.4
151.19308	0.9
155.08266	4.9
162.05659	1.8
163.03990	8.4
173.09196	1.8
179.08286	3.8
180.06642	42.3
198.08749	1.1
210.16087	4.5
211.14523	4.3
218.11862	1.6
223.14642	0.9
228.17079	9.6
235.14468	11.1
236.10524	1.4
249.87488	0.9
279.13461	1.3
286.94827	0.9
308.16113	12.6
317.13754	5.2
348.22922	5.7
374.21130	1.7
413.16113	1.1
459.22546	3.4
493.86807	0.9
503.28833	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	503.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03331	0.9
53.67727	1.1
55.80777	0.8
58.02961	6.4
59.01365	1.0
61.55615	1.0
67.54083	0.9
74.02468	12.1
87.35809	1.0
87.93771	1.0
96.04545	1.6
116.05045	12.2
124.07646	5.1
135.16907	1.2
142.06653	2.2
157.07700	6.4
159.09254	2.7
203.08290	18.5
219.14995	11.1
284.11179	1.2
374.20691	2.3
415.95868	1.2
503.26666	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	503.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47414	1.7
53.53973	1.5
59.01379	100.0
70.59737	1.8
71.01376	18.7
73.02934	9.9
83.07425	2.0
85.02958	3.8
85.99438	2.0
89.02427	17.8
101.02428	15.4
113.02415	15.1
119.03487	2.9
149.06061	3.5
161.04501	2.9
378.38193	2.3
399.23853	28.7
417.24887	9.4
459.25897	12.9
503.26358	12.4
521.94855	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	503.2502
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
54.39543	1.1
59.01376	24.3
60.99501	1.1
61.38418	1.3
67.62213	1.1
69.03452	1.2
71.01380	12.6
71.05007	1.4
71.81480	1.2
73.02968	1.0
85.02930	2.3
88.43486	1.2
89.02421	12.9
96.95969	1.4
97.06567	1.8
101.02439	9.7
109.06580	5.5
111.08105	1.1
113.02415	5.7
119.03399	1.1
127.07615	4.5
131.69472	1.1
139.07646	2.4
149.09703	25.2
151.98239	1.2
156.74339	1.2
173.08165	42.8
203.09236	10.7
288.51245	1.2
297.39807	1.2
305.17587	4.9
341.19696	2.2
503.25018	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	503.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.4
62.05488	1.6
72.50462	1.2
77.49190	1.2
110.78809	1.6
146.77937	1.3
191.17207	1.2
219.05109	3.0
260.27609	1.5
345.09662	1.6
419.11942	26.1
437.13062	2.8
475.04391	1.6
487.18176	23.2
503.21463	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	503.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00219	1.5
53.52512	1.6
59.01080	3.9
59.01376	100.0
61.79173	1.9
63.19921	1.6
63.83567	1.7
71.01379	8.9
73.02934	3.7
85.02962	2.7
85.74033	1.7
87.00847	2.6
89.02437	11.2
101.02425	8.0
113.02414	7.8
136.61673	2.1
160.60490	2.1
172.09819	1.9
209.51938	1.9
341.19595	8.2
399.24011	4.6
401.21442	2.5
459.26035	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	503.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01082	3.6
59.01379	100.0
71.01385	14.7
73.02927	8.2
77.71315	1.9
85.02949	7.6
87.04492	2.8
89.02452	2.3
101.02439	7.2
111.67280	1.9
113.02422	13.1
179.98560	1.9
208.32941	2.1
271.77847	2.2
301.18552	2.2
386.48105	2.0
399.23737	32.2
417.25101	3.8
459.25867	10.2
503.24677	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	503.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75430	0.9
54.74234	0.9
55.01875	1.1
56.66364	0.9
57.03448	1.0
59.01376	78.9
60.01703	1.2
61.34444	0.9
62.45491	0.9
69.03416	1.0
71.01370	14.6
71.05020	2.7
73.02939	9.5
74.76513	0.9
75.00845	1.2
83.01367	2.3
84.14496	0.9
85.02947	10.4
89.02419	6.1
92.19353	1.3
95.01380	2.5
99.00858	1.4
101.02419	17.6
113.02417	10.7
132.24545	1.1
211.17038	1.9
218.17941	1.0
399.19864	1.7
417.21298	6.8
459.22357	100.0
523.38531	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	503.1927
Annotation	Gaultherin B
Peak:m/z	Relative Intensity
52.93948	4.2
59.01379	90.4
63.62959	4.1
66.47563	3.9
76.03014	4.4
83.14935	5.3
156.32687	5.3
248.01160	5.0
257.08109	5.5
313.07156	28.3
325.10736	5.1
353.10318	23.8
398.10156	10.8
413.12375	76.5
443.17331	6.5
488.16748	9.7
503.19327	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	503.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78649	2.4
59.01373	100.0
71.01364	23.5
73.02926	13.8
85.02922	5.1
86.21793	3.0
89.02452	5.6
92.20009	8.3
101.02435	23.1
106.07892	3.3
113.02431	13.2
116.92863	3.7
161.02460	4.3
161.04562	5.1
164.07152	7.1
165.07481	5.6
206.08261	11.7
219.13936	5.2
221.11940	4.0
399.20157	28.2
417.20990	12.7
459.22183	24.3
498.18378	3.4
503.17520	4.4
503.61746	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	503.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	28.9
59.58313	1.3
63.91851	1.3
68.93130	1.4
70.20311	1.3
71.01376	12.8
73.02941	7.0
83.01352	2.2
83.61674	1.4
85.02951	10.5
89.02433	6.6
101.02448	12.9
113.02430	6.9
121.08766	1.4
186.34534	1.6
251.10927	1.9
256.18668	1.7
269.11823	94.6
281.11807	47.2
311.12881	2.5
323.13004	1.8
413.15979	20.9
425.16302	12.7
431.17151	61.7
443.17007	24.9
473.18179	100.0
485.18137	40.5
493.54440	1.7
503.19327	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70142	2.0
56.20775	2.2
59.01086	3.4
59.01379	100.0
66.08316	2.0
69.03451	4.7
71.01372	63.3
73.02936	79.0
78.35640	2.8
81.03451	3.8
83.01388	16.7
85.02946	18.1
87.00881	4.1
89.02435	28.6
93.03444	36.1
95.01375	4.6
96.95992	5.3
97.02932	14.2
99.00849	8.8
101.02431	74.5
109.02934	2.1
113.02427	33.4
119.03472	4.9
123.33303	2.2
125.02438	34.1
131.03473	10.1
135.04538	4.0
136.05243	18.7
137.01445	4.8
137.02440	98.7
137.06062	53.8
139.03954	2.6
143.03476	4.2
149.04536	4.1
161.04503	18.2
221.06596	9.7
229.28908	2.6
263.07785	10.7
305.08780	14.6
323.09912	10.5
365.10934	29.4
443.15649	20.0
461.16943	25.0
503.17581	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	503.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69861	1.5
55.01872	1.8
59.01378	40.5
71.01377	33.6
73.02936	9.1
75.79110	2.3
77.69791	1.7
83.01369	3.5
85.02936	10.3
86.51804	1.6
89.02422	9.5
93.03452	36.2
97.83424	1.5
99.00865	2.8
99.76818	1.7
101.02429	31.9
107.56741	1.5
108.32638	1.8
113.02429	23.2
119.03389	1.7
131.03500	1.8
136.05287	38.0
137.02451	28.8
137.06073	100.0
161.04512	11.0
341.12238	11.3
417.14044	3.0
461.16809	23.4
503.13998	24.9
503.17645	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	503.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37877	6.7
59.01367	26.3
62.89579	5.4
65.58071	5.7
68.99821	6.7
71.01389	6.5
101.02473	6.4
109.95824	6.4
153.05577	28.7
191.03487	10.4
192.04227	8.0
193.01425	31.9
193.05017	9.7
197.12982	6.9
207.06609	27.8
208.03728	62.0
215.13965	8.8
223.06087	74.4
234.05295	46.4
249.07660	26.7
279.08765	10.3
503.15536	100.0
503.23648	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31794	0.5
55.68309	0.5
61.29709	0.4
67.43185	0.5
68.81333	0.5
98.08335	0.5
101.23688	0.6
102.50707	0.5
117.03425	0.8
133.02924	3.6
133.36679	0.6
134.03738	0.5
135.04509	26.0
139.14565	0.6
161.02425	100.0
161.04576	3.2
167.03500	1.1
179.03484	27.9
179.05569	3.5
185.61455	0.6
211.65569	0.6
246.15929	0.6
263.27121	0.6
323.07565	1.1
341.08752	29.2
493.96335	0.6
503.14099	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30339	0.7
57.33886	0.7
58.01853	0.7
59.01385	1.3
64.79040	0.8
68.96200	0.8
73.00045	0.8
73.02940	1.7
75.00848	4.1
78.01576	0.9
82.89154	0.8
83.79294	0.9
85.02938	0.9
87.00853	2.1
88.31161	0.9
89.02429	0.9
93.03463	3.4
99.04520	1.9
101.02452	1.4
108.02170	1.9
111.04507	4.0
117.01924	1.9
118.71956	0.8
123.04498	3.5
133.02884	3.8
135.04517	31.9
137.02463	3.5
143.03436	1.3
146.47371	0.9
152.01123	2.1
155.03510	1.2
161.02431	100.0
161.04404	8.9
167.03496	21.8
173.04543	8.1
174.08546	0.9
179.03490	86.0
179.05562	4.3
194.85434	0.9
200.71870	0.8
245.72748	1.0
304.07864	0.8
329.08945	5.9
341.08771	56.9
503.14117	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.6
67.51891	0.9
71.01363	1.8
89.02428	4.6
91.18483	0.8
93.35389	0.8
96.95996	10.0
98.95605	1.3
101.02428	1.7
104.04272	0.8
104.91525	0.9
113.02434	1.7
117.97320	3.9
119.03464	1.3
126.69524	0.8
133.02931	8.7
135.04515	26.9
137.02441	1.6
161.02432	100.0
167.05180	1.0
175.06128	1.0
179.03474	35.0
237.59648	0.9
259.21674	1.0
341.08917	1.9
396.01868	1.0
503.14099	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48061	0.9
63.37869	0.9
67.05592	1.0
75.00885	0.9
82.77278	0.9
133.02948	3.3
135.04514	40.8
142.70793	0.8
144.82753	0.8
161.02425	62.4
161.04515	1.9
179.03490	100.0
341.08774	32.6
399.01813	1.0
503.14072	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83217	0.7
60.42184	1.0
61.58617	0.8
61.84447	0.9
61.98682	0.9
65.05212	0.9
65.41858	1.0
67.97884	0.9
70.97052	0.9
71.05417	0.9
76.76363	0.8
83.11507	0.9
85.55981	1.0
91.03721	1.0
133.02927	1.5
135.04509	27.4
161.02428	100.0
161.04578	4.4
179.03497	69.9
179.05537	5.9
341.08755	39.7
503.14075	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83905	1.1
59.01385	1.3
73.02926	7.9
75.00853	4.7
75.65334	1.0
78.57805	1.4
83.05021	1.9
85.02962	1.5
87.00828	1.3
88.18994	1.1
93.03439	15.1
99.00858	1.8
99.04498	1.7
108.02100	10.0
111.04515	10.1
123.04497	19.7
129.01886	2.0
134.61154	1.1
137.02451	8.8
143.03481	2.6
152.01120	17.6
155.03474	6.1
161.02478	2.0
166.23412	1.2
167.03476	100.0
173.04532	31.2
270.16922	1.1
276.54984	1.1
329.08810	24.3
490.43985	1.2
503.14816	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.3
66.62597	0.7
71.01362	3.1
80.61642	0.7
89.02422	4.6
96.95987	1.8
101.02383	1.1
107.54741	0.9
110.54093	0.7
113.02428	1.1
133.02933	9.6
135.04503	22.9
137.35825	0.8
161.02428	100.0
179.03474	23.7
278.07281	1.0
445.59756	1.0
445.67313	0.8
503.14078	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62240	2.0
52.21037	2.3
59.11790	2.0
70.36379	2.2
73.02937	3.4
75.00876	2.9
80.52591	2.3
85.35151	2.2
87.00844	3.7
88.93335	2.4
93.03415	3.7
96.95991	57.0
98.95564	4.5
108.02120	2.8
120.01277	3.2
123.04477	3.9
133.02975	2.7
135.04520	40.1
136.43935	2.6
149.76224	3.0
161.01231	3.7
161.02423	100.0
167.03487	14.4
173.04514	4.6
175.04002	3.2
179.03473	91.8
179.05345	4.9
208.49596	2.5
251.07097	15.5
285.14111	2.6
289.13614	2.7
329.08899	3.0
341.08682	40.6
431.13641	2.8
503.14087	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	11.4
71.01373	1.2
73.02915	1.1
85.02932	1.7
87.00854	5.1
96.95990	31.6
101.02437	2.3
113.02440	2.8
120.96469	1.2
128.03546	1.8
135.04489	1.4
137.02463	1.9
154.07018	1.4
161.04506	2.8
163.03984	2.2
165.07112	2.4
179.03444	2.2
179.05566	6.6
182.75052	1.2
184.08139	1.2
193.06563	13.2
209.06087	2.7
211.07642	100.0
223.07623	8.8
233.06126	13.9
235.07654	20.4
251.07088	7.4
253.08679	33.2
274.62662	1.6
279.06598	65.3
297.07730	14.3
305.04535	39.4
305.08014	1.9
323.05566	18.6
383.17426	2.1
459.13092	11.6
467.29233	1.7
485.10818	8.8
503.12314	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	503.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22559	0.8
54.50531	0.9
59.01356	1.9
71.01369	0.9
87.00860	4.3
89.45997	0.9
96.95993	17.5
115.15480	1.4
119.13860	1.2
137.02368	5.8
167.03474	2.1
179.05591	2.1
193.04977	1.4
193.06602	10.1
209.06097	2.3
211.07645	63.4
223.07645	5.8
233.06053	21.4
235.07625	16.6
237.03413	4.0
251.07143	5.9
253.08714	20.5
279.03607	1.6
279.06635	49.0
281.02466	100.0
297.07764	8.1
305.04575	46.6
323.05972	11.4
371.07178	22.6
401.04480	2.4
443.05511	7.4
459.13141	8.3
485.10843	13.1
503.07596	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1196
Annotation	1,3-Di-O-(E)-Caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
52.40403	0.9
59.01372	12.5
65.72453	0.8
71.01378	1.9
73.02924	1.6
74.39888	0.9
96.95959	1.4
97.81027	0.9
101.02409	1.1
102.04185	1.1
102.30939	1.0
109.02939	4.6
133.02957	7.2
135.04517	16.6
145.02956	2.3
153.09187	9.5
161.02429	100.0
161.06032	1.6
179.03464	18.9
179.05612	1.5
187.03886	1.3
221.11758	5.1
239.03571	7.0
239.12833	3.6
253.05086	2.3
281.04556	27.8
286.85117	0.9
297.07608	1.6
323.05533	2.1
341.09219	14.9
437.26483	1.0
443.18958	4.1
451.74619	1.1
503.12009	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	503.1194
Annotation	1,3-Di-O-(E)-Caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.30391	0.3
59.01366	0.4
90.99018	0.3
92.19975	0.6
96.07504	0.4
104.36233	0.3
109.55557	0.3
109.78112	0.4
113.58454	0.4
119.91599	0.3
133.02936	7.3
135.04510	19.0
137.02441	0.7
161.02423	100.0
179.03479	20.8
179.05310	0.7
179.05624	0.7
188.57480	0.4
225.07703	0.4
225.93472	0.3
323.07693	2.1
341.08795	9.7
391.75900	0.4
503.11926	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67070	0.7
57.50854	0.8
59.01373	5.7
61.78091	0.8
63.38091	0.9
65.17768	0.8
66.69611	0.8
68.48347	0.8
71.16084	0.9
78.95893	5.6
89.61497	0.9
104.39292	0.9
140.01144	3.5
182.34038	0.9
196.03857	1.6
214.04814	2.3
233.98944	1.0
305.24863	100.0
350.51443	1.1
441.05054	1.0
441.82581	0.9
502.22034	1.3
502.29364	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.2
63.37217	1.2
78.95900	17.4
100.31631	1.5
140.01157	9.9
196.03766	16.4
214.04866	3.0
305.24850	100.0
337.06122	1.6
502.29465	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45567	1.3
54.42503	1.1
59.01376	12.1
75.00865	100.0
92.71638	1.3
110.90244	1.5
113.25519	1.3
117.01922	39.9
118.05127	1.3
133.02876	1.6
135.04506	34.9
138.76636	1.4
161.01033	4.0
161.02422	68.3
161.04475	2.9
179.03490	74.9
243.99120	1.6
277.44131	1.5
341.08749	43.1
364.63541	1.6
402.28226	1.4
503.14066	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.5
69.49542	1.9
78.95903	32.5
87.33508	2.2
99.38061	2.3
137.17061	2.2
168.04263	3.5
213.93915	2.3
224.06931	9.9
255.12093	2.2
256.26932	2.2
277.21719	100.0
352.73245	2.5
358.37390	2.3
449.01401	2.7
460.44849	2.2
475.10535	2.1
502.29446	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2942
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
51.60094	0.8
52.60779	0.9
70.63779	0.9
71.53036	0.9
76.97900	1.0
78.95895	100.0
85.89830	1.1
89.15117	0.8
96.96933	7.4
110.13135	1.1
120.88179	1.0
134.76601	1.0
152.99570	21.7
171.00626	37.6
345.01752	1.1
502.29416	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2944
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
52.44027	0.6
52.48997	0.6
53.97965	0.5
54.58034	0.5
59.01377	0.9
72.65683	0.6
77.81068	0.7
78.95885	5.3
81.33514	0.6
90.25513	0.6
93.32027	0.6
94.19761	0.6
94.37214	0.6
106.47145	0.7
133.84030	0.7
168.04297	1.2
224.06818	1.0
236.29327	0.6
242.08018	3.2
277.21722	100.0
280.24939	0.7
352.74930	0.7
366.58447	0.6
376.86533	0.6
393.99359	0.7
412.62006	0.7
502.29474	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.1
61.98824	100.0
62.21510	1.8
73.53864	1.9
75.02215	2.1
76.94573	1.9
108.26054	2.2
127.03425	1.8
164.00500	2.3
165.98021	2.0
300.46634	2.0
305.24896	17.9
393.06461	2.2
502.29407	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	502.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70663	0.9
74.08698	1.1
77.69997	0.9
83.33307	1.0
91.05518	100.0
155.12579	1.1
163.03998	63.7
184.65150	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	502.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25921	0.7
54.17546	0.9
58.02966	1.2
61.75239	0.9
61.98816	0.9
84.14704	0.8
101.48409	1.1
121.92928	1.0
121.97952	0.9
135.04500	26.8
137.02431	100.0
161.02284	1.1
164.04185	1.1
164.07130	5.4
165.07547	1.2
177.01897	1.2
200.23149	0.9
206.08301	2.4
207.08528	2.1
251.38689	1.1
291.17181	4.7
308.19833	5.1
334.17636	4.9
487.23215	20.7
502.25540	85.7
509.75314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3229
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
50.43856	4.4
52.80299	4.2
52.84040	4.6
54.99453	4.4
58.60072	4.6
69.40887	4.9
82.99737	5.6
124.52603	5.2
204.93979	5.6
218.46870	5.5
222.00926	5.3
330.38614	6.3
379.04575	6.5
453.29968	24.8
471.31326	25.5
501.25830	8.0
501.32336	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	502.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	1.4
61.98829	100.0
63.63597	0.9
71.01373	2.2
72.99289	4.5
78.15404	0.9
82.84863	1.1
97.16312	1.2
100.74896	1.1
113.02431	4.1
118.69779	1.2
125.02436	13.9
128.03557	1.3
177.09254	1.0
198.29539	1.0
244.23514	1.1
259.13556	1.0
277.14603	1.9
321.13644	1.0
342.29086	0.9
352.09570	1.1
383.13489	11.1
439.12497	14.5
502.12009	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	502.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24883	1.2
59.01376	74.7
60.01704	3.6
60.60630	1.4
71.01369	21.6
73.02919	6.1
75.00855	16.8
79.60998	1.6
81.07488	1.6
83.01353	2.8
85.02934	21.8
87.00851	6.3
89.02412	3.7
95.01331	2.1
99.00841	8.4
101.02428	9.2
110.04369	1.6
110.31809	1.5
113.02425	26.1
130.79260	1.7
184.04855	1.5
217.90773	1.6
398.22443	2.1
445.33063	2.2
502.24606	100.0
502.74335	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	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46056	0.6
59.01378	100.0
59.78121	0.7
61.24841	0.6
71.01372	3.4
73.02940	2.6
85.02941	1.6
89.02423	2.5
92.19352	0.7
101.02430	3.0
109.40718	0.6
111.00878	1.5
113.02397	0.8
119.05037	0.6
158.93555	0.7
161.04532	0.7
168.97939	0.7
338.75620	0.7
350.46265	0.7
350.50485	0.8
360.75183	0.7
441.25513	0.8
457.20370	0.9
501.26938	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	501.3225
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
53.18181	0.7
71.05019	0.9
73.92408	0.8
77.35035	0.7
106.95212	0.7
112.08318	1.0
157.20442	0.9
168.80019	0.7
291.76846	0.8
393.31836	1.2
421.31238	3.7
439.31934	3.1
441.29959	3.2
457.33606	1.1
483.31161	20.9
501.32239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3225
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
51.13928	0.7
53.97910	0.8
56.14403	0.8
67.43560	0.8
103.70512	0.8
119.83757	0.8
173.49136	0.9
439.32059	4.9
443.27081	1.0
455.31741	6.0
457.33215	5.4
483.31299	7.0
501.32260	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	501.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85160	0.9
59.01379	100.0
71.01380	4.8
71.49866	1.0
73.02932	2.1
83.01388	1.0
85.02917	1.2
87.00834	1.3
89.02361	1.1
100.29583	1.2
101.02439	4.9
113.02415	1.5
114.59937	1.1
114.93319	1.4
116.92831	4.9
125.09693	1.4
127.05099	5.2
140.61311	1.2
141.99272	1.1
383.98087	1.3
441.24609	1.4
501.25784	5.0
501.32233	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	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88292	0.7
59.01376	100.0
64.07092	0.7
65.32429	0.7
66.88761	0.7
70.39495	0.7
71.01376	1.7
73.02917	1.2
74.42787	0.7
82.23698	0.7
83.63988	0.6
85.02923	1.4
86.03030	0.9
87.00835	1.2
92.19396	0.9
101.02422	1.9
113.02442	1.1
160.03949	0.7
177.97809	0.7
183.01582	0.7
190.82649	0.8
371.22672	1.3
376.08362	0.8
457.24551	1.4
469.74042	0.9
473.46021	0.9
489.93787	0.8
501.26163	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	501.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63825	1.0
53.84981	1.0
59.01377	100.0
60.87093	1.1
65.47422	1.1
73.02943	1.9
76.40240	1.3
76.98511	1.1
101.02369	1.7
137.67932	1.3
153.01550	1.2
210.20334	1.2
248.14781	2.2
428.00070	1.3
441.24689	2.2
463.13794	1.2
501.33652	4.9
503.71277	1.2
503.79886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61776	0.7
55.69954	0.8
59.01376	100.0
70.35894	0.9
126.53410	1.0
135.32965	1.0
168.23279	1.0
271.55914	1.2
286.10037	1.0
293.15024	1.0
443.27579	1.2
501.26764	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	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30655	0.7
59.01378	100.0
62.97560	0.8
71.01364	0.8
75.00839	0.8
101.02352	0.9
161.04512	1.0
180.26077	0.8
191.43082	0.8
300.51505	0.8
333.12399	0.9
424.34222	0.9
501.26947	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	501.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60323	1.5
58.36604	1.3
64.92495	1.3
65.82055	1.2
67.33270	1.5
74.02477	3.2
76.89017	1.5
79.17016	1.6
83.12451	1.3
85.32616	1.2
95.64130	1.4
96.04511	2.5
116.05042	3.6
141.05843	6.5
142.06581	3.4
148.10725	1.6
157.07660	2.3
180.92747	1.5
185.04848	2.3
186.05598	8.5
195.57542	1.4
197.52533	1.6
199.08714	1.5
201.10318	2.2
216.99808	1.5
245.35626	1.6
314.19476	1.5
325.17926	9.5
326.18875	11.1
337.00879	1.7
414.20685	1.8
442.24002	2.5
474.22821	8.2
486.22775	13.7
501.25095	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	501.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89030	1.2
59.00859	1.4
69.68211	1.3
74.02457	8.3
75.15152	1.2
76.20156	1.2
83.17333	1.2
85.44522	1.4
87.44648	1.3
87.55875	1.3
96.04537	6.3
105.21346	1.5
116.05065	9.3
119.95059	1.5
141.05809	7.7
142.06602	3.2
144.04558	2.0
178.14212	1.6
180.06613	1.9
186.05638	6.1
201.10287	3.4
203.08253	1.7
204.16245	1.5
215.50905	1.4
325.17990	6.7
326.18695	9.6
442.23795	6.5
474.22437	11.0
486.22403	12.6
501.25107	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	501.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32361	0.8
53.93114	0.8
59.01376	100.0
68.31642	0.8
71.01376	9.8
73.02922	6.7
75.00867	2.1
83.01378	2.1
85.02953	8.2
89.02423	4.8
89.60647	1.1
92.19393	1.4
100.02229	0.9
101.02426	15.6
106.97091	0.9
113.02438	7.2
121.02319	0.9
126.82117	1.0
155.64934	0.9
159.02943	1.2
161.04529	1.7
199.59427	0.9
234.43062	0.9
266.86798	1.0
397.22256	5.4
415.23407	10.6
457.24557	26.9
501.23572	5.0
501.31738	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30938	0.9
59.01377	100.0
61.10942	1.0
69.03432	1.1
71.01373	6.6
73.02923	2.7
78.48242	1.1
79.05664	1.1
85.02908	2.3
85.88616	1.1
87.00851	1.4
89.02443	5.0
101.02422	7.7
113.02410	4.5
128.07889	1.1
149.76979	1.2
166.10468	1.2
229.78986	1.2
237.18608	26.5
253.18109	10.8
399.23969	1.6
415.23553	8.5
441.24838	5.9
457.24460	45.3
470.67667	1.7
501.26654	1.5
517.28424	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	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27284	4.2
69.03447	25.2
78.12500	3.9
78.95914	10.0
79.69769	4.0
87.00860	7.3
95.05012	100.0
96.95998	22.6
97.68105	3.9
127.04898	4.4
145.06598	84.1
163.16020	4.4
171.08133	54.5
173.06049	17.4
175.04755	4.3
175.06120	24.9
197.09673	24.0
223.11353	30.3
249.92230	5.5
264.75284	4.1
267.70984	3.9
321.13504	75.6
450.46591	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	501.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
67.36954	2.0
70.40338	2.2
71.01363	20.4
73.02937	9.9
83.01383	2.2
85.02940	14.3
89.02419	3.9
94.32159	2.1
101.02448	17.7
111.00858	3.5
113.02415	9.6
270.25372	2.6
359.06854	2.5
415.23285	17.4
441.25085	4.5
457.24435	97.8
465.50085	2.5
501.26465	2.8
523.48761	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	13.8
63.54168	1.1
70.02983	9.0
72.87730	1.2
77.51234	1.1
91.05526	12.8
92.19965	1.3
147.04506	23.4
149.91757	1.3
164.07166	92.5
170.44412	1.3
184.67952	1.3
201.08917	1.1
206.08229	100.0
250.07402	1.3
258.15344	1.4
265.71060	1.6
306.48300	1.3
310.94016	1.1
332.46765	1.3
422.68311	1.4
455.21051	1.3
501.26016	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	501.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	13.6
59.01366	5.7
65.90003	1.5
70.02960	7.8
71.01353	6.3
76.46641	1.6
85.02923	1.5
91.05509	8.6
99.62018	1.3
101.02416	2.1
105.86560	1.4
111.52824	1.4
117.57332	1.3
121.06573	2.8
123.26570	1.3
147.04514	17.9
164.07167	90.5
165.05547	12.7
206.08208	100.0
250.07155	3.3
312.12354	1.5
327.10907	6.5
352.82852	1.5
441.22391	5.6
496.55545	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	501.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27331	3.9
59.01380	100.0
63.39785	4.3
70.81236	5.5
71.01353	5.1
74.85455	4.3
88.51118	5.6
88.89765	5.0
128.03362	5.2
133.02924	49.3
134.03735	26.3
135.04483	10.6
177.01720	7.7
178.02786	40.1
179.03496	12.6
193.05038	32.6
210.19144	5.5
215.17444	7.1
278.87582	4.9
339.08771	86.6
475.67398	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	501.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38205	0.8
53.15653	0.6
55.01021	0.7
61.09496	0.8
62.75346	0.8
78.95915	1.0
79.95731	1.1
85.02910	0.9
92.42606	0.8
96.95995	100.0
96.96979	3.4
119.04983	2.1
135.05370	1.0
161.78909	0.8
180.08838	0.8
210.42903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60903	2.2
59.01377	39.9
64.17207	2.2
65.00795	2.0
70.81267	2.1
96.95994	2.4
99.92564	4.1
100.11342	2.3
100.93344	12.0
114.44803	2.5
115.92058	10.3
116.92850	100.0
253.80818	2.5
331.74127	2.6
404.03790	2.9
441.25198	2.9
457.11789	2.5
501.10617	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	501.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82430	1.4
59.01374	42.9
66.91803	1.7
71.70783	1.7
77.38914	1.5
84.40301	1.5
87.99635	1.6
93.53696	1.5
96.95985	3.0
128.71756	1.6
136.93924	1.8
157.03537	3.1
174.99200	19.3
178.95021	3.3
189.95929	1.5
193.37566	1.7
201.02534	42.2
217.00267	100.0
269.96274	1.6
343.03595	2.6
359.01443	61.4
393.12723	1.8
501.02585	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	500.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64010	3.1
63.63894	4.1
65.43592	3.6
80.52233	4.2
90.54340	5.2
92.19370	7.3
93.21705	4.3
93.82345	3.8
122.54350	3.7
136.98853	4.2
174.61925	4.2
244.11775	4.3
303.23285	100.0
354.94662	4.2
461.31210	4.7
500.27911	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
78.66619	7.4
78.95881	15.5
92.19341	15.3
101.89854	7.3
140.01186	10.5
141.26360	8.8
196.03821	10.2
303.23254	100.0
500.27878	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.0
61.67542	3.4
63.85070	3.8
72.72347	3.2
74.32365	3.9
78.95895	24.7
83.21945	3.6
88.78584	3.7
91.42125	3.6
140.01190	9.4
152.09862	3.7
152.99620	4.5
160.98361	3.8
169.51758	3.4
172.27609	3.8
178.97713	3.8
186.40273	3.7
196.03769	15.6
214.04826	5.3
215.95192	4.2
303.23288	72.1
500.27811	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	500.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71923	0.9
52.61969	0.8
57.10700	0.9
64.23396	1.1
72.00898	5.1
82.06619	1.2
83.02512	1.3
92.19959	1.8
93.03430	7.0
114.96951	1.0
119.05011	18.2
120.41328	1.0
120.47829	0.9
127.08730	4.5
128.07152	2.1
130.08751	1.3
134.06100	6.9
136.07623	1.0
146.06108	4.4
155.08278	13.9
163.04005	28.7
169.09792	1.8
175.08769	3.9
180.06662	100.0
189.10280	1.3
191.15674	1.3
193.09863	1.1
195.15045	1.2
205.13390	2.0
218.14291	4.3
220.57407	1.1
223.14537	22.2
232.15732	1.1
241.15564	14.3
262.37454	1.0
275.21304	59.1
319.20264	45.2
500.27689	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45915	0.8
55.11150	1.0
58.78233	0.9
72.00898	5.0
74.02446	1.4
81.43613	0.9
82.06598	1.6
91.67982	0.9
93.03445	9.3
98.39155	0.9
105.23031	1.0
119.05006	19.1
127.08764	4.1
128.07167	1.4
128.85504	0.9
130.08720	3.4
134.06102	4.1
136.07574	1.1
137.07184	1.6
146.06090	4.7
155.08244	12.5
159.76714	1.0
163.04012	29.6
175.08740	4.8
180.06654	100.0
189.10362	1.5
203.11841	2.3
205.13419	1.1
213.57437	1.0
218.14182	4.5
223.14532	21.9
233.39932	1.0
241.15572	15.1
261.52728	1.0
275.21292	53.5
319.20276	48.3
325.19376	1.3
394.23807	1.4
447.21823	1.7
462.23871	2.4
482.26382	1.3
500.27707	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36406	1.0
59.03351	0.9
66.29143	1.0
72.00903	6.3
75.86580	0.9
76.22556	1.0
83.02489	2.1
93.03465	9.2
119.05015	15.1
127.08765	2.7
128.07169	4.5
130.08719	2.4
134.06139	6.2
137.07146	1.6
146.06129	2.3
147.04385	1.3
155.08253	12.3
163.04004	28.8
175.08661	2.4
180.06660	100.0
190.05269	1.3
205.13486	1.1
218.14214	2.5
223.14536	23.3
241.15575	15.0
249.16168	2.1
275.21307	59.3
319.20300	46.6
447.21640	8.1
448.22406	2.5
456.29297	1.5
462.24106	18.8
464.24771	2.0
500.27750	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13994	0.9
61.47865	1.1
72.00902	6.4
82.06589	1.7
83.02516	1.6
87.80128	1.2
90.95583	1.3
93.03439	6.9
106.04173	1.8
119.05027	13.9
123.87790	1.2
127.08750	1.9
128.07133	2.1
129.10257	1.6
134.06096	4.9
136.07681	2.0
137.07135	2.3
139.08809	1.4
146.06093	2.7
155.08272	11.0
163.04010	32.1
169.09837	2.5
175.08694	4.3
180.06660	100.0
182.54898	1.1
203.12032	1.9
205.13428	2.0
218.14174	4.9
223.14507	20.5
241.15564	13.9
249.16170	1.7
275.21304	52.2
319.20267	44.3
456.28586	1.3
500.27756	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
82.54203	0.5
88.00575	0.4
92.41822	0.4
95.08749	0.4
117.34562	0.5
136.03996	0.6
136.63290	0.5
211.17523	0.6
244.27322	0.5
247.63881	0.5
286.60623	0.5
309.23605	0.5
402.70355	0.5
440.21262	1.1
440.26944	0.5
504.01120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58842	1.1
56.62677	1.1
62.91447	1.0
71.13176	1.0
92.97105	1.1
98.52253	1.2
99.05643	1.6
112.77130	1.2
121.02936	5.9
133.03027	1.4
135.04514	74.2
137.02429	46.9
149.02440	2.5
150.03214	56.7
151.03947	2.4
161.02412	6.1
165.05556	18.4
171.71765	1.1
180.67883	1.0
191.03497	4.5
196.36034	1.2
291.17148	8.1
308.19785	7.2
323.18567	11.2
334.17734	16.1
349.16391	20.5
364.18839	1.8
468.21255	1.8
485.21732	1.7
500.24045	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	499.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23238	0.9
60.74609	1.1
61.69218	1.0
62.82598	1.2
63.83513	1.0
69.57690	1.0
97.54684	1.3
101.36990	1.3
112.97803	1.0
121.32919	1.2
124.77657	1.1
129.26654	1.0
133.05344	13.5
134.06117	43.3
139.08809	5.4
153.06720	1.9
157.13443	5.7
160.03981	4.5
206.11911	1.1
207.12779	1.6
223.14479	8.0
245.12918	5.4
247.14510	100.0
273.12576	1.7
342.14639	19.5
358.21359	6.9
385.20007	8.8
499.32947	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.6
71.01369	1.6
82.02986	3.8
84.65936	0.9
86.06104	12.2
87.00856	13.8
89.02419	1.1
92.19415	1.5
97.14323	0.8
101.02402	1.1
111.04502	1.2
112.04033	37.8
114.05594	12.0
126.01978	9.2
158.04578	100.0
158.08163	9.6
243.05162	4.1
289.17172	1.0
341.10941	1.3
342.11035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.3
65.57609	1.0
65.61308	1.2
70.58557	1.1
92.16797	1.3
92.19366	2.4
102.16648	1.0
104.26655	1.0
133.05307	13.7
134.06108	44.4
139.08778	5.6
146.37888	1.1
153.06693	2.0
157.13461	4.6
160.04063	2.9
179.15498	1.3
181.09831	2.0
185.68796	1.2
206.11928	1.5
219.54553	1.1
223.14503	9.6
225.19508	1.3
245.12923	2.9
247.14519	100.0
273.12625	1.8
311.49387	1.3
341.18790	1.6
342.14548	22.4
342.87482	1.3
358.21530	13.1
371.59293	1.1
385.20297	11.4
499.33142	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57129	3.0
59.01374	55.9
71.36338	2.6
92.19314	3.3
103.42846	2.7
114.60030	2.8
133.05296	15.9
134.06104	36.0
139.08749	2.9
157.13426	5.7
158.32187	2.8
223.14409	5.1
247.14526	87.0
304.61945	3.2
342.14603	14.5
358.21487	4.5
385.19965	10.4
498.20758	2.9
499.25504	4.4
499.32925	100.0
503.42249	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	499.3291
Annotation	Adouetine X
Peak:m/z	Relative Intensity
50.35767	0.8
58.44350	0.8
59.01358	6.1
79.28246	0.8
82.06614	1.0
89.01245	0.9
92.19395	1.2
110.06107	1.2
119.05003	1.7
133.05316	12.3
134.06108	50.2
139.08766	5.9
153.06723	2.2
157.13426	8.4
160.03992	4.0
163.08733	1.0
179.15492	1.4
181.09802	2.3
184.85199	1.0
202.12378	1.4
206.11789	3.7
207.12547	1.2
223.14442	9.9
225.19666	1.2
228.10204	1.7
230.11824	3.8
245.12921	5.4
247.14503	100.0
268.48892	1.1
273.12411	3.3
274.39435	1.0
342.14560	21.1
358.21402	11.3
385.19916	9.3
443.59818	1.1
453.47433	1.0
499.32892	94.8
508.98685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24796	0.9
62.12204	0.8
86.05400	0.8
88.56992	0.8
89.33768	0.9
89.94955	0.9
93.03442	1.3
102.91757	0.9
111.02032	1.8
119.04944	1.3
129.04695	0.8
130.56534	0.9
133.05325	14.2
134.05092	1.7
134.06110	41.1
134.07085	1.8
139.08751	4.8
148.33215	1.1
153.06650	3.4
157.13432	6.7
160.04022	5.1
162.12762	0.9
179.15555	1.0
181.09897	1.9
185.16586	1.1
202.12335	1.0
204.13890	1.1
206.11829	1.3
219.91072	0.9
220.13454	1.4
223.14571	8.2
230.11829	1.8
245.12941	5.2
247.14528	100.0
273.12534	3.5
341.18756	1.5
342.14529	23.2
358.21387	11.2
378.75980	0.8
385.20071	6.7
408.82809	0.8
499.32983	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28326	0.8
56.84080	0.8
58.74952	0.7
92.19991	2.4
98.84477	0.7
111.91409	0.8
119.75083	0.9
133.05290	13.1
134.06119	46.7
139.08771	4.2
140.07150	1.0
153.06696	1.3
157.13426	7.4
160.04016	5.3
179.15491	1.1
181.09848	1.3
185.04927	0.8
204.13876	1.2
207.12755	1.1
220.13539	1.1
223.14468	7.2
230.11781	1.3
245.12923	5.5
247.14514	100.0
273.12384	3.9
320.27069	0.9
341.18750	1.3
342.14600	19.9
358.21402	11.2
385.20120	10.6
499.32925	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43185	2.7
59.01379	30.1
59.13827	3.0
67.74911	2.6
67.76349	2.8
68.00534	3.3
71.01380	12.7
73.02937	17.8
79.91010	3.3
97.06520	4.0
103.08900	3.0
103.16888	3.3
109.32661	3.6
113.02411	5.8
116.33939	3.0
121.78365	2.9
173.70047	3.1
206.06886	3.0
273.22083	5.1
277.21710	100.0
291.23370	53.9
299.92892	3.4
319.22726	20.4
382.65286	3.6
401.76074	3.6
418.83810	4.0
421.09888	5.5
465.00879	4.1
484.06696	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	499.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45345	0.5
96.95980	1.2
99.66266	0.5
102.06883	0.5
128.43091	0.6
135.04512	18.8
207.11415	1.3
249.12428	100.0
349.84290	0.6
387.87000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	20.9
71.01387	8.0
73.02934	18.4
73.14851	4.4
74.32397	3.9
75.89214	3.7
81.86531	3.8
100.10162	4.0
127.15516	3.7
142.32747	4.4
191.07158	4.3
232.96678	4.0
255.21019	5.3
273.22318	5.9
277.21725	100.0
278.94623	6.1
287.18835	4.6
291.23270	46.0
319.22723	7.4
495.26541	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	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65191	0.7
53.51489	0.8
58.04187	0.7
58.97911	0.7
59.01376	100.0
71.01389	1.3
75.00869	1.0
82.92264	0.7
85.02927	6.0
92.19994	1.7
92.43964	1.0
100.32623	0.8
121.12158	0.8
205.03586	1.0
280.88586	0.9
455.22742	3.1
499.25385	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	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00862	0.7
53.88941	0.7
57.03421	0.8
59.01376	100.0
71.01369	1.3
73.02940	1.2
85.02931	3.3
101.02426	1.7
110.11214	0.8
113.02442	0.8
129.01955	1.6
161.22076	0.8
162.81694	0.8
173.35194	0.9
236.84348	0.9
244.20531	0.8
430.80319	1.0
439.23044	1.2
499.24448	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31878	0.4
51.71223	0.4
56.12207	0.5
59.01375	100.0
61.90756	0.4
69.96429	0.5
71.01360	2.0
73.02943	1.0
79.97299	0.5
83.77422	0.5
85.02937	4.3
93.09116	0.5
95.62418	0.4
101.02439	0.9
111.00861	0.8
111.08111	0.6
113.02431	1.2
128.03493	0.5
129.01904	0.7
134.64433	0.6
160.66663	0.6
172.52956	0.5
232.93282	0.5
251.16489	2.1
439.23535	2.4
455.23010	3.1
499.24588	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	499.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.6
62.79820	1.3
67.09443	1.3
71.01371	33.8
73.02942	17.6
83.01368	6.0
84.80243	1.3
85.02937	16.5
89.02438	10.6
92.19315	2.0
95.01372	1.4
99.00880	5.8
101.02431	50.8
113.02427	23.3
119.03428	1.6
143.03459	1.6
159.02992	5.3
161.04565	13.7
162.31552	1.2
164.07162	8.0
189.83826	1.5
206.08218	6.2
307.17691	29.6
439.21854	100.0
499.20978	1.4
502.92490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39503	2.5
53.82989	2.0
54.08891	2.2
57.03447	4.3
58.05745	2.3
59.01378	100.0
67.60864	2.7
71.01376	19.2
72.99364	2.5
73.02933	16.8
83.05028	13.6
84.27734	2.7
85.02952	22.4
87.00866	4.4
89.02417	12.9
93.62495	3.1
96.95995	6.1
101.02419	12.2
109.79241	2.5
111.00861	12.8
113.02430	3.6
119.03456	3.5
138.48270	2.5
161.04535	4.1
162.14284	2.6
174.28319	2.9
177.09247	6.4
205.12300	5.8
207.13892	10.2
215.14441	3.4
217.12312	11.7
235.13399	34.0
295.06039	3.6
346.46790	3.4
365.00668	2.9
411.20349	5.4
443.38519	3.2
455.18631	5.5
484.55060	3.6
499.18121	5.1
499.24475	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	499.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35997	2.8
58.18888	3.0
58.48598	3.1
59.01376	100.0
62.43383	3.6
63.42904	3.0
71.01384	24.6
73.02927	23.1
74.22605	3.0
83.01335	3.3
83.05025	5.9
85.02935	19.8
86.67678	3.6
86.68204	3.1
87.00844	6.9
89.02418	6.7
101.02421	31.8
113.02406	16.3
161.04526	8.5
203.14352	4.3
217.76756	3.7
221.15433	5.2
233.15358	4.0
251.16580	4.6
259.44919	3.7
263.68515	3.5
271.92044	4.1
294.63910	3.6
439.21664	7.6
472.83081	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64779	4.6
59.01377	65.9
66.93686	5.4
69.40888	4.5
71.01351	8.6
85.02926	6.9
92.19963	5.9
95.47709	6.7
101.02443	12.5
110.95911	5.1
112.92889	4.9
113.02433	10.8
131.72520	5.2
153.95866	6.4
200.00418	5.6
235.17079	10.3
247.14476	20.4
251.16492	6.1
455.22873	100.0
459.27661	5.4
499.32880	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	499.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49962	2.6
59.01378	100.0
71.01371	20.9
73.02940	23.2
83.01401	3.3
85.02943	6.6
101.02425	19.5
113.02439	16.2
115.19581	2.8
118.69501	2.5
161.04538	10.5
166.78529	3.1
179.05534	3.8
179.83864	2.8
203.05740	3.1
251.16524	27.7
455.23019	7.0
457.17285	5.8
499.18350	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	499.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
70.78111	1.1
71.01368	7.6
73.02930	1.9
82.20876	1.3
83.01409	1.4
85.02949	3.2
89.02403	1.7
101.02452	9.2
111.08076	1.3
111.74548	1.3
113.02391	5.1
115.94411	1.4
123.36908	1.4
220.60774	1.3
233.15382	8.6
251.16504	27.4
395.20990	9.6
413.22067	11.6
439.23257	1.8
455.22919	34.3
465.32779	1.4
499.24911	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	499.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
62.14050	1.1
62.37564	1.1
66.32798	1.2
71.01369	8.3
73.02936	11.4
83.01370	1.9
85.02941	6.3
87.00829	1.4
89.02419	7.4
92.34420	1.1
100.31494	1.1
101.02427	8.2
111.00822	1.4
112.99136	1.0
113.02452	5.3
119.03524	2.4
129.01949	1.7
130.09567	1.1
149.04515	1.4
151.51405	1.3
155.79860	1.1
178.20926	1.4
358.63681	1.4
395.20905	2.3
455.23004	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	499.1251
Annotation	Puerarin 4',6''-diacetate
Peak:m/z	Relative Intensity
51.66712	0.5
52.00498	0.5
59.01376	12.6
71.01377	1.2
73.02929	3.8
78.54399	0.6
83.02330	0.6
85.02937	3.2
89.02461	1.4
93.03433	6.3
101.02430	3.2
109.31600	0.7
109.67542	0.7
111.00878	2.4
113.02450	1.4
161.02408	1.0
175.03990	12.5
179.44240	0.6
181.06627	0.6
189.01875	1.2
189.12840	1.2
201.01962	10.0
203.88385	0.6
209.05872	0.8
251.07106	10.5
251.16385	0.9
253.05113	6.1
267.06628	1.3
277.05106	1.2
293.04404	0.8
294.05258	0.9
295.06110	100.0
327.05341	0.8
337.07440	0.8
455.22131	0.7
499.12531	2.4
499.22531	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	499.1824
Annotation	Rolapitant
Peak:m/z	Relative Intensity
55.13095	2.6
59.01378	100.0
60.48497	2.2
65.84177	1.9
69.01463	2.2
69.03447	2.8
71.01376	81.3
73.02948	23.8
77.05464	2.3
78.30481	2.2
83.01382	14.6
85.02930	36.7
87.00840	3.7
89.02402	19.8
95.01348	4.6
99.00872	11.0
101.02426	62.0
113.02419	46.8
119.03397	2.9
129.02019	2.8
133.06555	12.7
143.03467	2.6
158.40309	2.2
161.04546	19.4
203.05583	10.5
324.12000	2.8
457.17270	42.8
469.84024	3.1
499.18231	82.2
499.24829	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	499.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00679	1.4
59.01378	95.4
61.63006	1.9
63.43943	1.9
65.19380	1.9
72.35338	1.8
86.44620	2.1
96.96008	14.3
102.54227	2.3
103.00280	2.4
105.01933	2.9
116.59692	2.3
119.05002	52.2
145.02927	89.3
163.04001	100.0
189.05542	54.9
199.99228	2.0
204.22649	2.1
211.30521	2.1
239.05344	2.0
325.09134	4.3
413.11005	2.7
455.11896	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28694	2.7
52.99291	2.5
53.66246	2.3
59.01376	71.6
62.31012	2.4
72.25554	2.8
79.24210	3.0
85.02969	3.2
87.00831	22.0
96.96004	74.0
111.00850	12.6
119.05000	33.1
145.02945	76.8
153.05675	3.5
161.02463	16.3
163.04002	100.0
180.22464	3.1
189.05571	56.0
305.45526	3.5
332.21503	2.9
356.27228	3.4
413.10852	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	499.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19441	1.6
59.01381	100.0
63.71733	1.9
63.77665	1.7
71.01370	14.8
74.81475	2.1
89.02435	50.7
101.02411	20.0
113.02438	12.7
119.03483	20.4
133.36609	2.3
143.03514	3.0
149.04416	2.3
156.97945	2.6
156.99191	19.9
161.04562	2.7
179.05582	11.1
196.11693	2.2
217.00291	3.8
267.75946	2.1
341.07056	3.6
341.10898	76.9
401.13049	15.2
439.08011	4.9
499.10013	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82943	0.9
53.51589	1.1
59.01371	1.0
66.86697	1.1
85.51307	1.2
86.19592	1.3
122.03718	1.3
133.03094	1.3
135.04507	42.4
137.02437	2.1
149.02420	7.0
150.03204	41.5
151.03984	7.5
161.02412	5.2
165.05534	13.1
176.01144	1.5
177.01920	1.5
191.03517	2.9
289.15601	20.8
304.16632	5.0
306.18222	28.1
311.75500	1.3
321.16855	19.0
330.14642	5.5
332.16208	30.8
336.19376	1.8
347.14844	24.6
362.17249	5.4
386.75919	1.4
430.61057	1.6
483.20367	1.4
498.22473	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	499.076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86997	0.3
59.51382	0.3
67.47446	0.4
71.81141	0.4
79.95721	0.9
87.00871	0.5
96.95995	100.0
101.02453	0.5
107.05018	2.1
113.02460	0.4
138.75630	0.4
149.06100	0.7
177.05576	2.4
195.06514	0.5
216.85320	0.4
334.08112	0.4
338.94751	0.4
401.10919	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	498.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01459	0.9
57.03436	2.3
59.01129	1.5
59.01381	26.1
68.50374	1.0
71.01376	32.4
72.99297	5.0
73.02924	5.2
75.00860	28.6
83.01385	2.2
85.02944	22.0
87.00867	8.1
89.02429	15.7
95.01382	4.6
99.00872	11.1
101.02438	15.8
108.07164	1.0
113.02425	32.9
117.01908	1.6
119.03470	5.8
131.03458	4.5
140.35796	1.2
148.03937	1.3
158.01909	1.4
160.07646	2.5
173.04544	7.0
191.05576	2.0
234.93922	1.3
259.10846	1.4
275.22150	1.1
436.12781	1.3
438.20749	8.6
498.16168	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	498.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74963	2.3
57.40522	2.3
59.01379	31.3
61.98832	5.2
70.10540	2.5
71.01001	3.1
71.01368	32.5
73.02931	6.3
82.06604	20.6
85.02945	5.3
89.02436	37.3
91.93841	2.5
96.96005	4.7
101.02406	23.8
103.03551	2.8
113.02398	21.8
113.06050	12.8
113.71420	2.8
119.03477	12.7
130.06653	5.1
131.03493	11.6
135.04524	18.7
136.04831	11.0
156.06651	100.0
161.02457	13.7
161.04549	16.1
162.02754	10.9
179.03502	35.4
179.05553	32.0
180.03842	17.8
203.55916	2.7
221.06633	12.5
228.23441	2.8
246.75365	2.9
263.07663	29.9
336.08072	10.9
394.38913	2.7
438.16400	3.3
498.14536	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1621
Annotation	5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside
Peak:m/z	Relative Intensity
51.28954	2.1
51.47742	2.2
51.75790	2.6
57.87703	2.3
59.01385	34.5
66.97753	2.2
71.01378	21.0
72.58792	2.6
73.02930	4.0
74.19621	2.9
78.53811	2.7
83.01418	2.8
85.02926	6.2
89.02431	18.1
92.10169	2.4
99.00884	3.4
101.02425	32.6
113.02429	11.4
121.04716	2.7
129.24332	2.8
130.06609	50.7
161.04623	3.0
247.66461	2.6
292.11972	4.8
309.07220	2.6
310.28445	3.0
498.16064	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	497.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
74.44631	1.0
89.03864	0.9
96.96009	9.3
102.77321	1.2
128.63060	1.1
135.04532	1.1
167.03488	1.4
175.02722	8.2
176.03566	7.9
221.88078	1.0
247.10870	100.0
249.12309	4.1
397.34576	1.1
497.18314	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.266
Annotation	(-)-Conglobatin
Peak:m/z	Relative Intensity
53.25364	1.2
59.01380	22.3
66.70599	1.4
72.04548	1.7
73.02934	1.8
91.33777	1.6
104.52538	1.7
109.04019	2.0
111.18555	1.6
112.07632	3.5
122.03710	7.9
124.05286	16.9
125.06039	7.2
127.05108	41.1
128.03552	2.2
133.54283	1.5
139.08781	9.8
163.32275	1.6
179.11897	3.2
203.14349	3.6
205.13399	2.0
231.11462	11.6
246.67819	2.2
249.12489	14.1
323.09979	1.7
497.26581	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	497.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
57.03437	3.0
59.01384	12.2
73.02936	2.1
83.01379	13.2
89.78649	1.3
91.03992	6.4
92.38116	1.4
101.02425	7.5
124.59646	1.6
157.05095	3.3
159.45703	1.6
165.59152	1.4
175.06107	38.9
193.07147	6.8
266.29169	1.6
269.24902	5.6
279.23297	100.0
437.28897	5.8
455.30194	56.6
497.31354	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	497.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
57.03441	4.7
59.01374	10.4
62.68934	0.5
62.74565	0.4
64.54565	0.4
73.02936	6.4
83.01373	15.9
83.01871	0.7
89.02438	2.1
91.03459	0.7
91.03990	9.0
101.02425	8.9
119.03487	5.9
128.70929	0.6
134.13959	0.7
147.88130	0.5
157.05034	2.3
164.03574	0.6
168.51418	0.5
170.71123	0.5
173.21260	0.5
175.06104	16.2
175.07547	0.8
193.07175	18.7
196.31139	0.5
199.75978	0.5
212.99544	0.6
269.24905	2.9
279.23279	100.0
287.49777	0.6
437.29053	7.8
455.30157	52.4
497.31229	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39505	1.4
51.55325	1.3
56.40312	1.4
59.01375	100.0
89.02456	1.7
101.02441	1.6
184.28348	1.7
200.92162	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	497.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50877	1.0
53.75733	0.8
59.01374	5.0
59.19956	0.8
68.59360	0.8
71.37255	0.8
95.04995	1.1
109.02959	1.3
115.86404	1.0
123.04479	2.0
135.04512	72.1
142.34935	1.0
148.04036	2.1
150.05556	1.2
254.04552	1.3
256.06070	1.2
266.08353	1.9
268.06177	2.3
270.07803	2.3
284.09253	1.0
290.43250	0.9
296.05612	1.5
310.07162	3.7
325.45584	1.1
396.15573	1.3
403.64755	1.1
434.82819	1.0
465.21231	1.9
466.19324	1.4
467.19293	2.2
481.20883	2.0
482.21628	12.4
497.24039	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	497.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33435	3.8
59.01389	31.6
63.18959	4.6
71.01362	45.6
73.02935	18.2
85.02940	23.8
87.81713	4.8
89.02410	16.9
96.95979	16.6
101.02431	43.1
111.08102	4.5
113.02427	19.5
131.03477	5.7
143.10814	5.0
161.04480	17.6
162.90974	4.0
261.83829	5.5
298.36844	4.2
305.16034	18.8
357.85281	3.8
382.61871	4.2
437.20322	100.0
461.83041	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	497.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	31.3
63.82944	1.5
70.53868	1.5
71.01375	53.1
73.02925	15.9
83.01375	8.5
85.02943	21.5
85.84031	1.4
89.02416	14.9
95.01396	3.5
99.00856	7.4
101.02429	42.3
110.44423	1.5
113.02448	34.4
119.03484	1.9
120.99584	2.6
125.02422	3.5
143.10820	2.6
159.02959	3.0
161.04572	16.7
182.20395	1.6
192.55020	1.8
305.16101	30.6
376.27011	1.6
437.20325	100.0
485.96027	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	497.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17092	1.2
56.07553	1.1
57.49914	1.1
59.01358	1.5
72.42059	1.2
75.00862	100.0
78.91090	1.2
87.74062	1.3
92.19920	2.4
126.96243	1.3
170.24648	1.5
198.90358	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	497.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90130	1.9
59.01377	100.0
71.01366	30.6
73.02934	47.4
73.77812	2.0
74.99081	3.3
83.01379	8.5
85.02944	10.0
86.73471	2.1
87.00859	2.7
89.02410	12.9
101.02425	40.4
102.98573	8.8
103.79368	2.1
104.98158	2.3
113.02438	23.3
119.03510	3.1
131.03464	3.5
143.03438	3.5
149.04466	8.2
153.09192	4.8
161.04514	12.5
205.12302	22.6
221.06584	2.1
231.13840	15.8
249.14938	11.2
393.19391	4.9
437.14063	2.3
453.21292	3.8
497.22705	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	497.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46421	10.0
54.80116	10.0
55.50337	8.9
59.01373	100.0
65.88914	9.4
71.01354	19.0
73.02943	63.4
90.44531	9.6
91.36477	11.4
101.02386	25.8
181.88008	10.6
187.14912	55.5
202.26785	11.7
211.73375	10.6
242.19099	11.6
251.46294	11.0
330.83026	10.5
387.83255	11.0
432.31235	12.7
453.21295	54.3
497.21890	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	497.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	3.7
59.01377	100.0
65.60416	3.8
71.01367	20.6
73.02938	42.0
83.01375	5.3
85.02917	4.8
87.00858	4.1
101.02432	23.7
104.61969	3.1
113.02426	7.9
125.06082	5.2
129.60242	4.0
132.82565	3.4
151.07649	5.1
152.08418	23.5
153.09207	32.7
161.04572	8.4
161.09677	14.2
165.09268	5.2
187.11266	16.7
203.05649	6.8
205.12305	4.8
231.13829	17.0
249.14980	46.5
304.12543	3.7
340.07886	4.6
345.41974	4.1
393.19232	19.7
398.04645	3.3
453.21317	20.0
473.76965	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	497.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	15.6
71.01377	20.4
73.02940	8.5
75.00867	6.3
75.91285	1.0
79.80565	0.9
83.01363	2.2
85.02929	7.0
86.74804	1.0
89.02430	11.6
95.01351	1.4
96.04057	0.9
97.02890	1.5
99.00852	1.2
101.01796	1.3
101.02425	26.1
102.17255	1.0
113.02438	13.9
113.06128	1.1
119.03484	3.9
129.91168	0.9
131.03464	1.4
159.03001	1.2
161.04556	8.4
173.08176	5.5
190.58011	1.1
199.50677	1.2
221.06618	1.2
277.12909	2.5
293.12430	2.2
317.12433	1.7
335.13531	22.4
458.14273	1.0
497.18805	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	497.1302
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
53.92966	1.5
59.66834	1.6
71.01379	2.5
79.13910	1.9
79.43317	1.7
93.03430	4.4
96.95982	4.3
101.02475	3.0
101.57957	1.9
111.04459	2.8
113.02390	3.1
135.04515	43.8
137.02414	4.0
144.30659	1.8
161.02417	22.1
173.86081	1.7
179.03488	100.0
236.19386	1.9
247.55032	1.8
291.00079	1.8
335.07730	25.5
497.12970	44.4
497.18826	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	497.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29591	1.3
52.62846	1.3
58.20950	1.4
58.99618	12.7
59.01377	45.7
68.63182	1.1
71.01360	17.9
72.65910	1.4
73.02924	6.4
74.99095	1.4
85.02926	7.0
87.00850	5.6
89.02434	24.6
101.02438	18.5
102.98561	7.8
113.02435	11.1
119.03461	9.1
133.65564	1.4
156.28375	1.7
161.04631	1.6
161.10025	9.7
182.97617	1.5
251.59621	1.7
323.15247	6.9
393.15924	3.5
411.16953	15.6
416.36865	1.5
453.18048	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	496.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41792	0.5
72.00902	8.2
75.01707	0.6
91.05550	0.6
97.54484	0.6
99.30785	0.6
147.04510	39.2
164.07161	100.0
167.03433	0.8
168.04079	0.7
182.16576	0.6
182.71721	0.8
185.51341	0.5
211.26718	0.6
314.43427	0.7
325.43665	0.6
455.71423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66807	0.8
57.32906	0.8
58.23186	0.8
59.66957	0.8
92.28615	1.0
122.03712	3.7
123.04509	44.3
128.54211	1.0
145.02925	4.4
146.03714	1.2
147.04474	6.5
155.80891	1.0
165.05547	100.0
182.88815	1.1
253.03525	14.9
294.72452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20017	0.8
52.25234	0.9
58.96909	1.0
63.64161	0.9
83.05023	1.5
87.00859	100.0
93.03426	1.3
111.04491	13.1
125.06089	1.6
131.76830	1.1
137.02420	2.0
138.90445	1.2
147.65193	1.1
170.92653	1.2
173.23286	1.2
193.55528	1.0
204.01115	1.1
243.05090	21.3
245.84802	1.2
246.62862	1.1
252.09935	4.2
435.16846	1.2
486.22797	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	496.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97836	2.3
57.42629	2.0
58.77201	2.4
59.01368	4.7
68.08830	2.3
70.41496	2.9
71.68567	2.5
96.96013	5.7
102.55801	3.0
120.01232	30.9
129.40605	2.5
136.04135	2.6
139.72322	2.9
181.99608	2.8
187.68155	2.6
220.46573	2.5
268.07452	4.0
271.06158	26.2
283.02798	3.4
283.06006	4.3
286.08493	21.7
289.10022	3.3
297.04028	5.5
310.04907	3.8
311.05588	58.2
312.06393	15.0
315.05258	23.7
326.07971	15.5
327.05136	65.5
327.08820	5.1
330.07474	41.2
342.07391	20.2
345.09763	78.7
357.09818	100.0
375.10873	4.0
375.20212	4.2
435.33771	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	495.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80817	3.2
59.01377	70.7
70.85891	3.3
71.01378	66.0
73.02932	21.6
77.09547	3.4
83.01378	16.8
85.02938	33.7
85.90218	3.2
86.05032	3.1
89.02441	18.3
95.01383	3.7
99.00858	8.7
101.02432	70.8
107.98375	3.6
113.02454	40.7
125.02470	4.1
130.64354	3.8
161.04556	15.9
162.84024	3.4
175.04735	3.3
211.92674	3.4
291.18027	8.1
308.02933	3.8
369.56329	3.7
406.36261	4.0
435.22461	5.0
453.23462	65.8
495.24457	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	495.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	17.6
71.01362	13.9
75.00858	15.3
85.02930	13.3
87.00848	3.2
89.02424	3.0
93.35902	1.8
95.01362	3.5
99.00853	4.2
103.00355	3.0
113.02426	20.0
127.11418	1.8
156.14977	1.9
200.26254	2.0
207.92993	1.7
245.17572	79.6
249.06078	7.5
261.32773	2.0
495.24515	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	495.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	95.3
71.01378	66.1
71.26639	6.6
73.02933	14.8
76.50610	7.6
83.01344	11.3
85.02930	37.7
89.02450	13.5
101.02432	67.0
105.28198	7.0
113.02442	33.7
161.04541	28.3
191.96428	6.6
313.33102	7.0
453.23352	42.5
487.54181	7.1
495.24677	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	495.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45747	0.4
57.60689	0.5
58.68412	0.5
59.01363	2.2
71.01365	0.5
85.02934	0.7
96.96028	1.0
101.02447	0.6
111.54415	0.6
113.02472	0.6
119.03581	0.6
175.02715	8.9
176.03525	6.3
213.41240	0.7
247.10869	100.0
392.14365	0.6
409.78165	0.6
418.59253	0.5
453.16064	0.8
495.16296	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	495.2089
Annotation	NS-304
Peak:m/z	Relative Intensity
51.50800	1.2
59.01376	26.9
64.35367	1.6
71.01382	29.9
73.02935	6.7
74.99110	1.5
83.01414	1.7
85.02947	10.4
86.76553	1.4
87.00875	3.2
89.02434	17.4
90.90468	1.5
92.19376	1.6
96.96037	1.5
101.02417	27.7
107.30943	1.7
113.02439	16.5
119.03484	7.6
131.03453	3.6
143.46085	1.5
153.09167	7.1
161.04503	6.5
171.10248	2.6
221.06610	3.2
312.09763	1.6
333.15558	12.2
417.67615	1.6
495.13593	3.4
495.20834	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	495.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19955	1.3
57.09150	1.5
59.01376	35.7
64.60049	1.7
65.37278	1.6
71.01373	59.4
71.05018	2.1
73.02938	23.6
83.01378	4.1
83.07552	1.7
85.02946	24.9
87.00858	3.4
89.02433	21.7
95.01353	4.1
96.57447	1.6
97.02900	1.6
98.43339	1.6
99.00842	3.0
101.02427	46.8
103.60341	1.5
104.67980	1.9
106.25728	1.5
113.02427	27.6
115.07647	3.0
125.02390	2.1
131.03484	3.7
148.76390	1.7
149.04517	3.9
155.12598	1.7
159.03000	2.7
161.04509	13.7
231.41389	1.8
303.14453	23.4
324.85266	1.8
435.18704	100.0
495.21832	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	495.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92924	0.8
59.01377	3.6
70.46908	0.9
71.01386	2.4
80.13039	1.1
85.02952	1.0
86.08309	0.9
89.02422	1.8
94.68586	0.9
101.02401	1.4
113.02420	1.7
115.45824	1.0
134.03728	16.2
135.04495	4.2
136.01659	1.6
137.02428	45.3
148.05351	3.7
149.06085	2.0
150.03200	2.0
151.04016	26.7
152.04773	59.5
153.05487	1.1
153.09204	1.5
161.04530	1.5
166.06340	4.8
184.03822	3.8
318.11133	2.3
333.13443	100.0
438.83102	1.1
454.82138	1.0
495.21143	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	495.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	65.2
71.01378	45.3
73.02927	9.5
85.02932	24.2
88.35649	3.9
89.02424	23.3
95.01369	3.7
96.95982	8.4
101.02438	49.5
113.02430	37.8
118.43118	4.2
119.03470	9.3
122.14519	4.1
131.03529	6.7
140.24275	3.7
142.46344	4.2
161.04555	22.5
173.08109	5.4
179.05499	4.7
221.06573	7.7
314.90604	5.4
333.12036	5.8
453.15936	22.2
495.17029	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	495.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41116	2.5
59.01378	97.9
60.91261	2.9
69.88004	2.7
71.01376	67.0
73.02950	23.0
80.14664	3.7
83.01373	12.0
85.02937	27.5
85.03375	2.9
87.00863	4.1
88.80344	2.7
89.02435	40.7
92.19397	4.4
95.01382	4.7
96.95989	12.8
99.00874	4.6
101.02433	60.5
108.02171	6.9
113.02427	39.6
117.06759	2.9
119.03462	13.1
123.04517	12.7
131.03490	5.4
134.03731	3.2
135.04512	73.4
143.03529	3.5
152.01126	31.1
159.02927	3.7
159.89363	2.9
161.04498	29.7
165.05560	16.4
167.03506	82.9
179.05626	4.1
219.79314	3.1
221.06641	17.9
247.23047	3.0
263.07523	3.8
285.07675	5.0
333.09323	3.7
333.12500	4.1
367.12454	2.8
373.85941	2.8
435.14447	3.6
453.16254	49.2
495.16907	100.0
522.54718	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	495.1509
Annotation	Tetracentronside A
Peak:m/z	Relative Intensity
52.82869	1.9
59.01377	4.7
60.07453	2.1
61.34164	1.8
62.76593	2.6
71.01385	2.3
92.67583	2.4
98.30112	2.4
107.05008	9.0
108.02145	13.9
123.04523	18.6
125.28201	2.2
134.03745	11.7
135.04515	83.5
152.01154	36.3
165.05557	21.1
167.03484	100.0
183.62274	2.2
209.06105	10.0
210.61304	2.5
212.16397	2.2
241.08804	4.3
245.06325	3.1
255.04990	2.5
285.07736	10.7
333.09692	19.7
457.75998	2.5
475.46854	2.5
481.49463	3.2
495.15231	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52228	1.6
59.01368	4.9
63.66429	1.9
71.01360	3.6
79.25636	2.3
85.02951	5.4
87.00855	15.8
89.02466	2.7
92.19408	3.1
96.96005	16.0
101.02415	2.9
107.04996	11.2
108.02149	2.4
111.00809	3.0
113.02399	3.1
119.63080	2.3
123.04511	57.5
134.03722	2.2
135.04500	21.5
149.06076	24.1
151.03941	2.0
152.01117	8.9
165.05522	19.3
167.03456	19.3
167.26981	2.6
177.05505	16.5
179.03482	27.6
193.05020	15.1
193.06546	2.4
195.03044	25.6
237.03809	3.5
239.05629	46.6
255.02550	4.5
255.05081	100.0
285.07693	2.5
318.12906	2.3
322.05743	2.6
328.35065	2.3
440.66422	2.6
495.16278	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31176	0.7
63.96236	100.0
72.81960	0.8
85.38818	0.7
96.95387	1.2
96.95995	27.0
97.06501	0.8
98.95595	1.4
108.02176	1.7
112.67997	0.9
116.07160	9.6
123.04514	1.7
144.27284	0.9
147.04475	1.1
152.01190	1.1
160.20930	1.1
164.03868	41.7
164.07123	1.2
167.03491	12.1
183.08669	0.9
213.71748	0.8
293.10748	1.1
301.20920	0.9
329.08820	1.0
494.20547	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	494.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30288	0.6
60.01146	0.6
62.43110	0.6
72.00887	1.0
76.10136	0.6
91.85163	0.8
105.09917	0.6
108.02158	16.6
110.88799	0.8
114.02673	0.7
123.04518	21.3
147.04509	7.6
152.01151	21.3
164.07173	17.9
167.03482	100.0
175.83931	0.8
329.08829	19.3
338.37357	0.8
339.02930	0.7
354.65973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27628	8.0
63.40039	8.6
99.96621	8.5
306.00821	9.3
403.08371	10.3
417.65231	10.8
478.29449	20.1
493.31607	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	494.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03492	0.8
59.01380	18.3
60.01711	1.7
61.98831	100.0
68.29484	0.8
71.01376	13.5
72.01703	1.3
73.02942	5.3
74.03276	0.9
83.01384	3.8
85.02936	6.6
89.02420	1.4
95.01371	1.3
101.02441	11.3
102.02770	1.7
113.02452	7.9
119.03493	0.9
125.82088	0.9
161.04533	3.4
250.93419	0.9
367.47635	1.0
452.22284	8.9
494.23230	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	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03450	1.1
59.01378	100.0
59.64455	1.1
61.24449	1.2
63.56434	1.0
67.64682	0.9
71.01377	20.1
73.02938	8.2
79.53455	1.0
79.78487	1.0
82.48086	1.1
83.01389	7.5
85.02939	16.1
89.02435	4.9
95.01390	1.6
99.00880	2.2
101.02431	27.6
107.85459	1.1
113.02431	16.9
125.02365	1.4
159.33521	1.1
161.04535	2.2
179.91237	1.1
199.17020	6.2
216.73395	1.3
216.89490	1.1
283.66391	1.2
287.22278	2.7
289.23746	6.4
313.18332	1.3
330.18149	1.3
407.22845	2.4
433.28073	68.5
449.23883	7.1
451.22702	3.2
451.29147	21.9
493.23273	8.4
493.30286	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	493.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05580	10.5
64.91446	12.5
128.27066	12.7
133.02959	30.5
142.15794	14.7
151.95955	12.3
379.79718	13.5
391.21298	18.8
478.29034	27.2
493.31604	100.0
506.84436	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	493.2807
Annotation	Herkesterone
Peak:m/z	Relative Intensity
52.62242	2.2
57.98118	2.7
59.01354	3.0
90.23965	3.0
91.04038	2.5
115.58997	2.0
133.02936	9.4
134.03743	3.4
151.60193	2.2
160.01634	13.2
161.02429	22.7
175.03979	77.8
177.02026	3.3
179.84877	2.1
243.19708	5.0
261.11240	3.6
279.23193	4.2
283.83081	3.0
387.21725	16.9
401.23224	14.5
405.22784	3.6
419.24463	25.5
437.07541	2.6
478.25949	4.2
493.28149	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	493.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74332	9.0
103.85257	11.6
134.03729	60.7
135.97548	10.5
149.06006	19.7
178.02747	48.4
193.05032	100.0
343.24026	12.8
493.27802	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	493.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53342	1.2
54.77885	1.1
71.32594	1.5
76.01492	1.6
120.02206	1.5
133.02948	15.2
134.03703	9.0
135.04485	2.0
145.03075	1.6
148.05293	1.6
149.06038	1.7
160.01582	11.3
161.02422	18.3
175.03983	78.7
177.01881	2.1
178.02719	2.2
179.03581	1.6
193.05026	6.9
199.73099	1.4
243.19594	14.0
257.11993	1.4
259.45776	1.4
295.63864	1.4
316.24188	1.5
317.17908	2.0
331.18988	1.9
356.88113	1.8
371.76285	1.6
387.21674	18.7
401.23209	12.7
405.22684	3.1
412.23956	1.5
419.24493	20.7
478.25809	2.7
493.28094	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	493.2448
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
51.65266	4.3
54.05399	5.1
54.51223	4.6
59.01369	11.2
67.37374	4.8
82.89269	6.5
87.87813	5.5
152.86258	5.1
160.10283	5.9
175.69022	6.7
257.38303	6.4
261.15036	25.9
269.19067	76.2
331.19202	52.9
493.24530	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	493.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83198	0.9
54.63151	0.9
55.01892	1.4
58.88823	1.1
59.01085	2.5
59.01376	67.7
60.00924	1.0
60.58073	1.0
63.17958	1.0
66.59740	1.2
71.01371	23.1
73.02923	8.3
80.69807	1.1
83.01335	1.3
85.02943	10.6
87.00883	2.1
89.02428	20.4
89.64717	1.2
95.01343	1.8
98.97868	1.4
101.02431	25.2
113.02440	15.7
119.03483	8.9
125.69636	1.1
133.95340	1.2
145.95296	1.3
159.02841	1.6
161.04482	2.4
163.11240	2.6
179.05566	2.5
195.02893	1.2
196.36612	1.1
199.28430	1.1
228.85901	1.3
243.11360	1.4
269.17532	5.3
271.10995	5.0
271.19147	52.9
389.21719	5.1
433.24442	100.0
448.12051	1.3
460.19772	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2447
Annotation	Tricalysioside B
Peak:m/z	Relative Intensity
51.04564	0.5
59.01384	1.1
60.05608	0.4
61.81351	0.4
63.47112	0.5
69.60014	0.5
80.22730	0.5
85.02938	0.5
99.54486	0.6
102.13610	0.5
109.63412	0.5
113.61244	0.6
121.80732	0.6
163.53432	0.5
208.81665	0.6
271.12247	0.7
289.30850	0.5
315.16080	3.0
330.18411	15.3
331.19147	100.0
336.45099	0.6
493.24472	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2446
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
57.03435	1.3
59.01378	25.9
59.64035	0.8
71.01373	9.5
73.02943	1.3
76.99324	1.0
82.76522	1.0
85.02935	4.1
89.02422	1.7
92.19343	1.9
101.02436	6.8
108.05991	0.8
113.02423	4.5
119.15249	0.8
135.08142	1.7
151.11230	1.0
254.16748	31.0
269.19104	100.0
285.18777	1.9
286.15732	1.6
287.20154	76.0
331.19135	1.8
433.28119	12.7
449.23849	1.3
451.22400	1.2
451.29059	3.6
493.24261	36.9
493.30249	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	493.2293
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
56.09097	3.5
57.03440	4.4
59.01379	100.0
59.53470	2.6
71.01373	64.5
71.54096	3.2
72.99275	3.4
73.02941	32.4
79.58439	3.0
83.01376	14.6
85.02940	36.6
87.00813	4.1
89.02422	16.9
95.01369	5.1
98.43047	3.3
99.00866	13.6
101.02422	57.8
113.02421	35.4
145.77484	3.6
161.04526	18.1
162.39429	3.0
176.00040	3.9
215.84500	3.5
245.73637	3.3
300.39642	3.5
359.77951	3.5
433.21045	5.8
433.28036	5.6
451.21820	70.9
493.22839	73.3
493.29907	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	493.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64974	3.2
59.01382	100.0
64.21252	3.3
71.01369	48.7
73.02937	24.3
83.01385	9.0
83.52620	3.6
85.02930	23.3
89.02440	7.2
97.02957	4.6
99.00835	6.2
101.02444	51.6
104.31400	3.5
105.04887	4.5
113.02418	35.7
126.20872	4.7
150.45564	4.1
161.04549	7.3
163.78069	3.5
223.06158	7.5
269.18921	4.7
275.68802	4.6
318.53064	4.3
331.11649	4.5
385.29352	4.0
389.21722	16.9
433.21100	7.7
443.74298	5.3
449.23944	46.9
451.15942	6.7
451.21902	87.0
493.23618	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	493.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
59.01088	4.9
59.01378	100.0
61.97165	2.6
71.01375	75.2
73.02940	27.2
74.30744	2.3
78.89977	2.7
79.41917	2.8
81.65379	2.2
83.01390	17.8
85.02943	37.1
87.00878	4.5
89.02432	46.1
93.43845	2.4
95.01349	5.5
99.00855	5.2
101.02430	75.0
113.02444	46.1
118.62679	3.0
119.03489	17.5
131.03473	6.0
146.58926	2.7
161.04568	19.0
164.37796	3.0
179.05585	12.0
187.48141	2.6
221.06679	11.9
229.25194	2.9
236.38933	2.5
239.10716	2.8
248.86259	2.6
429.91251	3.2
451.21744	44.4
493.22964	90.4
493.29254	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	493.2293
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
55.01860	1.9
57.03446	2.1
59.01378	46.0
62.25924	2.2
66.62547	1.6
71.01375	45.7
73.02946	15.5
79.46152	1.8
83.01377	8.7
85.02928	20.7
87.00853	2.8
89.02434	18.3
95.01347	2.8
99.00864	2.7
101.02423	44.6
113.02434	26.3
116.20436	1.8
119.03473	3.7
123.04763	2.1
161.04530	8.6
200.67097	1.9
212.06885	3.2
298.12036	2.1
301.14145	2.4
302.46582	1.8
331.15155	9.2
331.17816	12.6
356.88318	1.8
493.17139	4.1
493.22928	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	493.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16119	6.1
57.48565	6.0
59.01381	55.5
61.98827	10.2
71.01372	56.1
73.02953	29.2
74.03077	6.9
77.76699	6.8
85.02950	30.3
89.02441	15.1
92.19994	6.9
101.02433	74.4
104.58337	8.1
113.02415	34.3
161.04529	12.0
178.80299	6.5
204.33775	6.4
247.64751	7.1
296.06583	15.4
315.18100	12.3
370.10095	9.9
430.12054	8.9
447.22458	100.0
451.21951	15.8
493.23270	30.6
493.30301	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	493.2291
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
55.01865	6.7
56.74777	2.2
57.03430	2.5
59.01381	78.3
71.01376	72.6
73.02922	29.5
83.01378	11.2
85.02956	38.3
89.02435	18.9
95.01351	5.6
99.00863	6.5
101.02426	63.6
113.02442	43.3
117.72783	3.2
125.02410	3.3
129.30022	2.6
135.60352	2.7
160.94966	2.8
161.04533	20.7
211.93889	2.7
289.16504	4.3
433.20636	3.5
447.04874	3.2
451.21872	68.2
493.22998	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	493.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51490	1.8
59.01085	4.3
59.01379	100.0
61.67659	2.0
63.66126	2.0
71.01371	27.5
71.22515	2.0
73.02940	8.1
74.99089	13.8
83.01388	3.6
85.02943	10.7
89.02399	3.2
95.01345	2.9
99.00880	2.8
101.02431	23.1
113.02423	20.8
123.80721	2.0
139.00372	17.1
154.14812	2.0
159.02937	2.3
161.04501	4.2
166.02731	7.3
208.03796	2.1
209.15508	2.6
289.16635	2.9
320.57971	2.1
326.42514	2.3
331.11951	21.5
353.19757	2.5
371.20654	9.6
413.21811	49.7
433.20651	4.0
451.21796	27.5
493.29926	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	493.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85863	3.0
54.15419	4.0
59.01377	45.4
71.01357	35.5
73.02949	15.0
85.02940	17.3
87.00864	8.2
89.02433	36.7
101.02425	48.8
107.08657	8.8
113.01714	4.1
113.02439	27.4
115.11170	4.3
119.03468	8.9
120.65257	4.4
131.03508	6.1
161.04527	34.5
169.08733	4.7
179.05559	8.9
190.53900	4.0
220.80083	4.5
221.06631	23.7
236.23856	3.8
317.68176	4.1
416.62555	4.0
449.18820	4.2
493.19131	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	493.2093
Annotation	Amritoside D
Peak:m/z	Relative Intensity
50.23801	0.9
59.01370	2.4
66.05397	1.2
74.79203	1.2
106.28687	1.3
121.02946	1.7
122.03715	21.5
123.04449	1.8
149.06088	2.0
164.08418	20.0
165.09186	17.2
176.63951	1.1
177.09172	2.6
193.08612	1.1
196.07364	8.0
240.09387	1.3
243.11392	4.4
269.11832	6.7
271.10916	4.9
281.11560	1.9
286.11948	9.7
297.11301	1.4
298.12100	15.9
301.14447	73.9
313.14520	29.5
329.56140	1.2
331.15515	100.0
400.59482	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	493.1829
Annotation	Hydramethylnon
Peak:m/z	Relative Intensity
54.95566	1.5
55.95958	1.5
59.01366	2.0
70.07292	1.8
83.05005	3.1
83.14098	1.7
83.14604	1.4
87.00862	100.0
88.23565	1.4
93.03428	14.7
101.02429	1.7
108.18450	1.8
111.04532	14.5
124.08037	1.7
131.19324	1.6
135.04483	14.0
137.02425	21.8
154.58170	1.9
155.03490	6.5
159.66402	1.5
162.47639	1.8
167.03435	3.3
171.05400	1.6
175.70636	1.8
226.27051	2.0
243.05083	74.5
243.08827	2.8
249.12431	83.8
250.42587	1.9
292.56931	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	493.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39327	2.6
57.65176	3.1
59.01380	51.8
70.67068	3.2
71.01378	7.3
73.02940	17.3
81.03454	3.3
85.02930	7.1
89.02414	5.3
101.02406	17.7
101.27725	4.0
113.02420	7.7
123.03258	6.5
136.04048	15.1
149.04802	11.5
150.05614	7.0
152.07143	19.3
164.08408	4.1
165.09262	5.1
200.10782	3.7
214.07487	5.1
224.10857	6.3
237.06593	5.9
238.07449	31.5
242.06927	26.4
243.11368	56.8
253.09831	32.8
254.10657	4.8
255.11404	14.0
257.12735	3.2
266.06955	7.1
267.11392	13.8
271.10886	100.0
285.12369	6.8
295.10733	17.6
301.14392	24.5
313.11621	22.4
331.15778	26.1
337.89761	3.5
356.85239	3.3
433.24252	16.0
475.46692	3.7
493.22586	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41823	1.2
59.01379	16.4
61.02159	1.5
61.98819	6.7
62.42077	1.1
71.01366	2.7
72.99315	10.4
73.02924	1.4
73.94384	1.3
77.73701	1.2
85.02953	1.2
87.00880	1.9
89.02432	1.4
89.02978	1.3
92.19453	1.6
101.02432	1.7
121.38358	1.4
135.04518	1.4
149.02385	6.9
152.04715	2.1
154.46681	1.3
164.04816	23.9
177.22906	1.3
179.07112	16.4
193.01430	2.3
195.06657	11.8
208.03777	63.2
209.08273	2.3
222.05354	10.3
223.06122	100.0
237.07732	7.1
240.06387	6.0
241.07217	9.5
255.08711	16.0
385.17459	1.4
433.15543	9.9
451.15982	34.2
451.21497	2.6
493.16797	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	493.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76730	2.5
59.01384	100.0
60.16647	2.7
62.71678	3.0
67.16202	2.6
69.03442	3.9
71.01378	60.3
73.02924	6.0
81.10670	2.7
85.02946	16.3
87.00864	3.3
89.02427	56.4
97.02936	7.1
101.02419	46.6
113.02444	24.9
119.03470	28.5
121.49393	2.6
125.02415	30.2
139.00330	4.4
139.93449	3.0
143.03485	4.3
154.02702	12.4
161.04491	4.8
169.05060	13.5
179.05626	14.2
189.30641	3.2
189.50720	3.1
221.06677	14.3
323.09814	52.9
493.15491	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	492.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29738	2.7
61.43283	2.2
61.98827	100.0
62.21846	2.4
64.64040	2.5
78.95908	4.8
85.43697	2.3
108.64179	2.5
114.04086	2.5
177.90625	2.6
296.98877	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	493.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06799	0.5
64.30213	0.6
66.11217	0.7
77.92586	0.7
90.82246	0.6
100.75823	0.7
119.70193	0.6
120.99635	100.0
134.03754	1.0
145.02924	3.2
149.06160	0.7
163.11844	0.6
165.05577	1.0
170.03026	0.7
178.00917	2.7
178.02591	0.9
181.03287	1.3
193.03333	2.4
193.05093	0.8
195.06508	0.6
211.04298	5.7
214.72513	0.6
291.90552	0.6
297.84894	0.7
299.05893	3.1
313.89014	0.7
407.19107	0.8
410.46060	0.7
430.77585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84732	2.6
53.74252	2.9
59.01380	100.0
62.67402	2.8
69.03403	3.1
71.01377	59.9
73.02940	15.4
81.82943	3.0
83.01379	3.7
85.02932	21.0
85.65920	3.5
87.00878	7.3
89.02435	73.4
95.01425	3.8
96.96006	42.1
97.02934	6.2
99.00841	3.4
101.02422	44.2
104.34562	3.0
106.60255	2.8
111.00826	3.8
113.02426	28.8
119.03457	23.5
123.81231	3.5
125.02415	28.1
131.03523	4.1
139.00359	16.5
143.03464	4.6
143.90668	3.4
152.01181	4.1
153.01930	19.0
154.02733	41.9
161.04492	5.6
167.03424	6.0
168.04265	4.6
169.05058	21.7
179.05595	12.5
180.42131	3.1
215.64339	3.3
221.06639	14.8
263.07666	4.8
323.09775	32.6
360.71796	3.0
361.72021	3.4
493.15582	68.2
515.91626	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	492.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65876	0.7
54.21994	0.7
55.01892	0.8
56.56127	0.8
57.99509	0.9
58.02969	1.3
59.01379	1.7
60.18235	0.8
65.05062	0.9
83.01386	1.7
84.04523	4.3
87.05624	2.0
88.04036	8.3
89.02428	16.1
96.95941	0.9
97.04028	1.0
98.02439	3.4
98.06084	1.1
102.05590	22.8
116.07109	3.3
120.01155	1.6
124.04016	10.8
128.03516	80.9
129.10306	12.0
133.58659	1.1
140.37746	1.1
141.06665	5.8
142.05063	23.4
146.04564	25.6
159.07707	4.0
160.06136	81.0
167.73853	1.0
173.09413	1.2
179.07101	2.0
199.07236	15.1
209.08206	5.8
245.11383	15.2
271.09302	1.2
289.10416	100.0
492.18472	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46971	1.0
66.31110	1.1
72.17237	1.0
75.31614	1.4
84.82801	1.1
89.87443	1.0
102.05594	2.3
104.53935	1.2
108.02140	7.2
121.02911	1.5
122.03650	2.2
123.00806	1.2
123.04499	23.2
128.03513	18.3
135.14093	1.2
146.04564	6.3
149.02412	5.8
150.00502	1.1
150.03207	49.0
151.03979	10.1
152.01126	1.7
157.40015	1.1
164.04817	2.4
165.05557	64.7
167.03488	21.4
178.05104	10.3
180.04231	5.2
181.05025	1.4
192.06612	2.0
195.06645	7.7
210.01009	1.1
218.04597	2.1
231.60414	1.0
241.57068	1.0
244.15987	1.2
252.08769	2.6
256.07434	5.1
271.09763	4.5
315.08701	6.7
341.12842	1.5
363.10736	8.9
400.14136	1.7
421.45599	1.1
474.13885	1.4
492.15097	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	492.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41385	1.3
62.80554	1.2
100.56156	1.6
120.01234	100.0
147.57133	1.5
149.06097	1.9
190.08771	3.1
193.04979	1.8
211.04422	2.0
220.09711	1.7
371.11407	1.9
471.19937	1.5
480.62891	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	491.2864
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
59.01378	95.9
60.98065	3.9
69.95919	4.4
71.01374	10.6
73.02937	10.7
80.52573	4.2
83.01389	5.9
85.02924	10.2
99.32268	4.5
101.02431	24.7
117.32580	4.6
142.91481	3.9
153.17084	4.2
184.22824	4.4
329.17447	8.6
330.14670	4.5
339.80188	4.8
405.25125	5.2
449.27747	23.6
491.22696	7.8
491.28619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92753	0.8
59.01376	3.9
66.41147	0.7
89.02425	1.4
90.24796	0.9
101.02436	2.0
152.99539	1.5
235.08284	1.5
253.09210	9.0
255.23296	100.0
343.18866	1.0
387.62137	1.0
440.64792	0.9
508.51828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83413	2.5
55.15570	2.0
59.01384	6.0
61.98826	85.1
65.89801	2.2
69.80534	2.2
79.90208	2.7
101.55265	3.0
159.04561	2.6
166.39134	2.5
215.03340	3.8
249.05547	3.6
266.57886	2.6
267.06610	4.6
274.55499	2.7
277.05054	20.8
278.05811	13.8
279.06552	21.6
280.07339	10.7
293.08212	12.8
294.05420	10.2
294.08994	11.7
295.02948	5.0
295.06113	100.0
309.07602	21.5
310.08481	40.0
319.71854	3.2
325.10812	41.4
369.09818	42.7
427.50980	2.8
429.11908	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42282	1.4
56.57256	1.2
57.03465	1.8
59.01374	61.1
71.01369	25.2
73.02942	9.7
75.00842	1.8
75.87916	1.5
81.60429	1.5
83.01377	6.0
83.75030	1.3
83.99412	1.3
85.02934	8.4
87.00851	1.8
89.02427	7.6
91.03876	1.6
92.19311	1.7
101.02424	16.5
113.02452	9.3
125.02467	2.4
157.48434	1.3
159.23882	1.4
195.13910	1.8
213.14977	8.2
269.21295	2.1
287.22253	31.9
357.19217	15.8
405.10825	3.1
431.26642	18.1
449.27600	48.8
473.27676	1.6
491.28668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.4
59.01379	100.0
61.80405	2.3
71.01375	40.0
71.16257	1.7
73.02934	16.4
75.00861	2.5
83.01364	2.3
85.02933	12.6
87.00836	4.3
89.02434	33.1
101.02439	38.1
113.02439	18.3
116.92853	2.5
119.03455	8.8
130.88162	2.1
141.41338	2.1
161.04608	4.6
179.05469	2.9
285.07492	3.1
431.22894	83.8
447.13058	4.1
447.18665	11.5
491.21030	2.8
491.25949	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00223	2.2
56.52379	2.8
59.01381	100.0
71.01377	34.0
73.02927	15.7
75.00847	2.8
83.40302	3.0
84.44373	2.6
85.02932	14.1
87.00877	3.9
88.04974	2.9
89.02450	6.2
99.00911	2.8
101.02421	20.9
113.02430	17.3
125.02411	3.3
149.50905	3.5
195.13951	3.5
213.14969	5.8
269.21011	4.1
287.22287	35.4
329.23254	3.9
357.19159	24.5
405.12668	10.0
431.26453	13.2
447.22327	4.6
449.27707	32.0
491.28818	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Lurasidone
Peak:m/z	Relative Intensity
52.33266	1.3
59.01377	98.9
63.23204	1.4
71.01376	28.2
73.02943	18.2
75.47211	1.5
77.43571	1.9
83.01412	6.2
83.05003	1.8
85.02937	16.0
87.00893	6.0
89.02448	18.2
90.58638	1.8
92.19938	3.1
95.01331	1.7
99.00919	2.1
101.02435	38.7
101.03101	2.1
113.02428	22.2
119.03525	3.5
120.59090	1.8
129.05608	2.5
130.08737	2.2
158.31462	1.7
161.04614	3.1
190.62239	1.7
195.95164	1.6
196.26137	1.7
206.24252	1.7
221.06746	2.2
280.09061	1.6
288.51682	1.8
413.22058	6.8
431.18094	2.9
431.23166	17.0
449.19772	10.1
473.24527	2.9
491.25369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78053	2.3
55.01873	3.2
57.03431	2.8
59.01376	100.0
71.01375	68.9
73.02934	32.0
83.01368	13.9
85.02931	29.3
87.00850	3.6
89.02430	43.4
91.84712	2.5
95.01373	4.9
99.00849	4.5
101.02430	70.3
109.25194	2.4
113.02432	37.4
119.03463	11.9
131.03499	13.6
137.02530	2.8
138.66536	3.0
141.76372	2.5
161.04536	27.4
179.05563	12.9
189.06473	2.5
221.06676	20.4
232.68935	2.7
233.92772	2.2
263.07669	4.4
353.65872	2.5
431.21927	16.1
449.20273	41.7
457.06528	2.5
491.21143	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06892	6.0
54.78923	5.4
59.01374	100.0
60.75340	6.8
61.98811	11.8
71.01936	5.5
78.95894	25.9
97.89574	6.7
101.72707	6.3
116.77023	7.6
152.99574	52.0
166.31970	7.3
207.11028	6.4
335.48038	6.8
491.24271	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	491.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32156	1.4
59.01083	2.2
59.01378	59.2
65.36977	1.3
71.01372	19.5
73.02926	17.3
73.09792	1.2
83.01380	7.4
85.02931	8.2
87.00865	2.9
89.02440	11.3
99.00863	3.2
101.02425	25.6
103.67314	1.5
111.93974	1.3
113.02419	10.2
119.03478	2.5
131.03535	1.3
134.85489	1.5
135.42615	1.6
155.14406	10.8
181.15973	3.4
199.13377	26.8
208.19164	1.5
224.51172	1.4
225.14922	3.3
229.87398	1.7
269.03244	1.4
287.22244	3.2
357.19229	2.0
403.29297	1.4
405.21402	12.3
406.62491	1.5
431.26474	2.9
447.22360	100.0
449.27457	13.4
468.45786	1.5
491.28983	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	491.2137
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
57.03448	2.3
58.38478	1.9
59.01381	100.0
61.98864	2.2
71.01376	78.1
73.02937	29.0
83.01382	11.5
85.02936	35.6
87.00868	13.4
89.02434	53.2
95.01357	4.5
96.09496	2.3
99.00882	4.3
101.02434	78.0
113.02436	48.4
117.84978	2.8
119.03500	16.9
121.34421	2.6
125.02404	3.2
131.03476	22.7
143.03503	2.8
159.02962	5.9
161.04544	41.6
179.05618	27.1
193.05042	9.0
221.06654	42.3
263.07681	10.1
279.06128	2.8
351.19333	2.8
449.20245	20.0
491.21283	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69219	2.6
56.62062	2.3
59.01377	100.0
63.89359	2.5
64.63887	2.6
71.01376	36.7
73.02929	31.7
73.53733	2.6
83.01386	5.4
84.72056	3.3
85.02940	6.3
88.02637	3.3
89.02439	17.0
92.19487	2.8
95.14349	2.5
101.02421	43.0
107.86851	2.9
109.82095	2.8
113.02413	16.2
119.03455	3.1
347.21362	3.0
387.96222	3.0
431.22971	30.7
447.22305	69.0
491.21484	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	491.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63145	4.3
54.06385	4.7
55.08094	4.6
59.01382	68.7
63.39392	4.7
64.44936	4.9
71.01368	38.9
73.02942	43.0
76.00567	4.8
83.01408	6.3
89.02436	21.1
90.93914	5.4
94.13526	4.7
101.02422	29.0
113.02450	8.2
199.13316	5.7
229.06837	5.0
248.21486	5.8
280.49927	5.1
447.22400	100.0
491.29111	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38975	1.6
55.21558	2.0
55.78447	1.8
59.01374	52.3
60.37742	2.3
71.01360	19.9
73.02935	16.8
81.09888	2.1
83.01403	2.9
85.02922	8.7
87.02666	2.0
89.02409	7.8
101.02430	22.0
113.02424	10.4
119.03509	3.4
134.40286	1.9
141.45107	2.1
155.14392	9.9
155.48903	2.2
181.15939	8.1
199.13414	21.2
222.92802	2.0
225.14922	4.6
256.49408	2.1
405.21246	11.6
411.11734	2.5
447.22345	100.0
491.29404	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	491.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
58.21155	1.4
59.01379	100.0
71.01366	30.5
73.02931	19.1
83.01400	1.9
85.02944	8.1
87.00864	1.8
89.02434	20.4
91.25590	1.5
95.01342	1.4
101.02433	25.8
113.02428	21.2
119.03471	6.7
121.28349	1.5
143.03520	1.6
160.12996	1.3
161.04527	6.9
163.11295	2.3
175.11240	2.1
179.05569	6.7
193.12299	9.7
243.15973	1.5
251.16455	6.9
354.22693	1.4
387.15491	2.1
387.20221	31.8
405.21426	6.7
431.23181	11.6
447.22586	29.4
491.24509	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	491.2137
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
53.36360	2.3
55.86975	2.3
57.03434	3.8
58.53108	2.3
59.01377	71.7
59.10991	2.2
71.01368	26.7
71.12946	2.9
73.02930	4.4
75.00864	22.2
83.01365	3.8
85.02933	37.1
87.00868	13.2
89.02427	4.0
95.01385	4.1
99.00871	11.6
101.02451	19.2
107.46823	2.4
111.00838	11.8
113.02426	46.9
121.07728	2.7
127.25249	2.8
129.01878	2.6
146.01826	2.5
164.85530	2.5
178.90005	2.8
198.91904	2.5
224.51129	2.6
387.24078	9.9
405.24911	5.3
491.21149	100.0
491.27432	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	491.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63291	2.0
58.57557	1.7
59.01085	3.1
59.01376	91.4
62.32592	2.2
87.00858	4.1
88.91290	2.4
89.67394	2.4
92.74266	2.3
137.02428	10.0
149.02406	11.0
151.00359	4.3
152.01155	2.6
152.04701	3.5
164.04781	32.9
166.02681	75.6
167.03452	4.1
177.01912	3.8
177.05418	2.8
179.03523	9.6
179.07127	19.9
181.05046	94.7
188.04727	2.6
189.05487	3.4
190.02649	3.5
190.06361	5.1
191.03383	3.5
192.04279	11.2
192.07965	2.7
194.05853	4.0
203.03525	3.4
203.07120	3.5
205.04967	4.8
207.06757	5.0
217.04997	9.2
218.05789	2.8
219.06494	2.8
220.07367	4.2
223.06102	10.2
307.06207	8.4
308.06848	13.6
309.07669	8.8
322.08423	3.5
323.09271	61.2
324.09924	4.0
327.12210	3.0
337.10519	3.8
338.11633	27.8
339.08493	11.5
339.12201	4.2
341.10315	5.7
354.11029	3.9
369.09351	4.2
369.13391	28.0
387.10831	21.2
399.14355	15.9
401.12344	11.3
402.13177	3.3
417.15573	18.9
429.11777	45.8
431.17154	38.5
444.14066	8.8
459.10309	4.4
459.16605	100.0
463.58578	2.9
491.19235	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	44.3
71.01387	5.5
73.02929	8.9
85.02922	4.4
87.00866	39.1
89.02451	3.8
101.02435	6.3
113.02419	3.4
132.71237	2.4
145.56975	2.4
151.04033	4.7
161.02411	13.5
161.04515	5.3
193.52281	2.9
212.14606	3.0
213.05548	3.0
221.06711	3.9
260.60062	3.2
284.06491	2.9
299.09229	25.4
311.09277	5.9
313.10818	10.0
314.11493	12.3
325.10800	12.2
326.11658	5.5
329.10339	3.4
341.10400	21.1
343.08292	6.1
353.10263	2.9
355.08212	24.5
358.10544	92.2
370.10519	61.6
373.12921	100.0
383.21729	3.4
385.12994	48.2
403.14313	19.8
430.21808	4.8
431.22104	69.9
461.14438	4.3
491.15573	93.7
491.22122	4.3
491.25949	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	491.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35449	1.1
59.37960	1.0
61.82520	1.2
62.71344	1.3
108.02152	1.9
121.58570	1.5
122.03776	1.6
123.04520	13.7
127.05112	10.9
128.03477	9.2
145.06168	13.0
146.80264	1.3
149.02434	12.9
150.03227	47.0
151.03955	1.9
151.69664	1.4
164.03549	10.7
164.04788	4.6
165.04214	2.6
165.05562	57.8
165.06953	2.0
171.04007	1.9
176.84361	1.4
178.05104	5.9
180.04297	8.0
181.05176	1.6
192.06654	7.5
195.06618	5.8
236.08035	28.5
251.10431	15.2
277.08276	16.0
295.09473	8.9
302.54166	1.4
376.49222	1.4
384.13440	2.1
399.15750	2.3
425.13626	2.7
425.38208	1.3
473.15552	2.2
491.16785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1561
Annotation	(1S,2R)-O-Methylnyasicoside
Peak:m/z	Relative Intensity
59.01374	29.0
64.09172	1.3
71.01357	2.0
77.66443	1.6
96.95984	1.9
101.09696	1.7
107.93689	1.7
108.76657	1.7
113.36729	1.5
119.04974	6.7
121.02917	9.8
132.05643	1.7
133.06564	7.0
139.73828	1.4
151.79649	1.5
161.06068	38.4
211.07709	3.3
223.07562	2.3
237.09204	96.8
238.06323	7.9
239.07121	51.4
239.10721	1.9
249.09230	27.1
251.07146	38.2
261.26099	1.5
261.69931	1.5
267.10245	10.1
299.09357	3.5
316.65442	1.4
329.10422	6.3
491.15601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1559
Annotation	Myrciacitrin II
Peak:m/z	Relative Intensity
53.52668	1.4
59.01377	26.9
59.99448	1.8
71.01366	9.5
72.39066	1.7
87.00868	3.7
89.02437	11.8
96.63413	1.9
101.02427	4.5
101.85822	1.9
113.02444	6.7
116.92895	2.5
119.05005	19.6
145.06590	2.0
157.35152	1.6
209.42207	1.8
237.09213	100.0
249.09250	29.5
263.07120	7.6
265.08725	2.7
281.08206	40.2
293.08182	21.1
299.09235	11.9
299.12567	3.5
311.09344	3.1
461.14526	74.0
473.14606	13.0
491.15491	56.6
491.21136	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	491.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37083	1.5
54.34965	1.5
54.37927	1.5
57.20619	1.5
59.01368	14.3
63.96235	23.0
65.71941	1.5
68.36408	1.7
71.01383	17.1
72.99287	15.2
73.02939	2.5
73.98315	3.0
75.82625	1.8
80.00547	1.8
85.02924	3.5
89.02425	20.1
96.95995	10.3
101.02423	13.5
104.31752	2.1
113.02437	10.7
117.97273	16.2
119.03461	8.0
123.04506	21.8
130.23817	1.7
131.03462	3.2
135.97400	3.2
135.98355	58.4
161.04536	13.5
166.02638	2.3
167.03487	100.0
196.14008	2.3
209.04530	13.3
221.06602	3.2
224.43253	2.0
239.05565	2.5
272.65375	1.8
276.58878	1.9
371.09839	29.9
491.13391	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	491.1576
Annotation	Myrciacitrin II
Peak:m/z	Relative Intensity
52.25556	1.3
58.46778	1.1
59.01377	24.8
68.92239	1.3
71.01365	6.6
71.88997	1.2
72.99303	15.7
73.02940	3.0
74.32929	1.1
89.02433	6.0
93.03479	2.2
101.02436	7.2
113.02438	6.5
119.05038	6.7
126.87818	1.4
129.77431	1.4
135.04500	1.7
184.54591	1.5
193.12457	2.3
205.05058	2.3
211.07828	2.1
213.99974	1.3
237.09206	30.7
249.09239	7.4
253.08731	18.1
255.10333	2.6
265.08789	8.9
267.10410	4.6
281.08252	23.1
293.08112	18.4
299.09268	100.0
311.09314	28.7
329.10294	3.4
346.27182	1.4
387.20187	10.3
431.23343	1.6
447.22574	9.3
491.15771	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.5
59.04308	1.7
60.62278	1.4
63.96234	22.3
71.01367	20.0
72.99301	20.8
73.02942	3.0
73.98308	3.3
78.11267	1.8
85.02960	7.2
89.02425	18.6
92.40392	1.9
96.95998	20.8
101.02439	17.4
108.02135	2.4
113.02424	11.8
117.97321	18.0
119.03485	3.1
123.04514	19.8
131.03505	6.1
135.97400	3.3
135.98357	64.4
152.01079	3.3
161.04549	11.8
167.03484	100.0
181.05075	3.7
182.00383	2.5
197.02843	2.7
209.04514	13.9
221.06682	8.5
269.06570	3.3
311.07690	3.3
329.08752	3.8
334.08795	1.8
371.09903	36.0
425.84210	1.9
441.77814	2.2
443.37140	2.3
455.17789	4.3
491.14020	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44359	0.6
59.81898	0.5
60.32891	0.6
60.57967	0.5
62.19937	0.5
66.58275	0.5
70.94075	0.6
82.04102	1.1
96.14859	0.6
96.95972	1.2
121.15432	0.6
122.07232	0.6
132.71693	0.6
135.04521	15.0
157.08676	3.6
168.88939	0.6
195.38658	0.7
207.11426	1.4
240.13588	6.8
249.12451	100.0
437.27155	0.6
440.37372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29068	8.0
66.91258	6.4
71.45141	8.3
78.95914	12.3
99.08150	57.6
140.01038	8.0
175.90897	7.9
193.12360	29.9
196.03751	15.0
210.98877	8.3
276.39301	8.1
293.21259	39.0
311.74799	8.7
374.42911	9.4
454.27219	11.5
490.25748	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	490.2578
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
52.88539	15.3
59.29807	14.6
65.20174	15.1
78.95889	24.6
82.95950	15.7
99.08112	27.7
99.61905	18.6
136.77132	19.6
139.46611	16.7
176.11942	18.6
241.83519	16.7
293.21268	68.0
311.64920	17.2
340.37720	15.6
366.69568	18.9
375.74127	21.5
418.23294	18.3
490.25754	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	490.258
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
50.16147	6.9
59.01384	8.2
78.95892	100.0
107.06162	9.0
120.18865	11.0
152.99577	17.5
171.00595	46.2
176.69707	9.7
190.31316	9.6
295.16406	9.0
402.95575	7.8
490.25882	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07279	0.5
59.52868	0.5
61.98828	100.0
62.21771	0.6
63.76947	0.5
65.67445	0.6
66.59351	0.5
68.94711	0.5
71.67947	0.4
102.86648	0.5
208.09779	0.6
259.27063	0.5
490.22287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49787	0.9
59.01371	14.5
80.00947	1.0
80.38808	1.0
81.47564	0.9
86.31203	0.9
92.19900	1.5
122.06090	1.2
124.07748	1.2
136.07661	6.4
148.04303	1.4
156.08188	2.0
158.09772	8.0
216.38472	1.1
228.06979	2.1
229.07745	1.7
274.59842	1.1
324.20950	2.6
338.22388	2.5
349.19965	1.1
382.21402	2.1
416.19879	3.8
430.21686	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	490.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68122	1.3
59.01377	9.3
61.18888	1.2
71.01350	1.6
87.52914	1.3
95.03725	1.8
108.04529	2.1
136.07683	2.7
148.04364	1.6
158.09756	9.7
172.34702	1.6
203.81180	1.5
224.08109	1.8
228.07066	1.8
271.44913	1.5
324.20886	5.3
338.22028	1.5
357.39642	1.4
382.21320	5.9
416.20078	2.2
430.21698	100.0
445.31329	1.5
457.07391	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	490.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56989	0.7
53.97171	0.8
59.01375	6.5
61.98828	100.0
107.68610	0.9
118.33478	1.1
138.25157	1.0
142.95718	0.9
168.47916	1.0
303.26346	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	490.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
61.98827	100.0
66.23207	0.6
71.41255	0.6
73.02934	0.7
96.95991	1.5
100.36929	0.6
101.02451	0.6
101.63000	0.6
137.37210	0.7
245.31668	0.8
286.16455	1.4
287.60883	0.7
348.38065	0.8
479.27899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72707	0.7
59.01085	1.3
59.01377	35.6
67.16368	0.9
70.89171	0.8
73.02937	42.4
87.08968	0.8
89.02400	1.4
91.03987	3.7
97.06581	5.6
118.06631	6.6
122.96051	0.9
130.40359	1.0
147.04489	1.1
155.78725	0.8
158.09767	0.9
164.07144	1.1
199.03091	0.8
205.12907	0.9
209.15442	0.9
255.19746	1.1
257.17618	15.8
265.71109	0.8
281.21378	1.1
283.19055	1.3
315.01410	1.0
337.23743	5.6
346.75357	0.9
355.24924	29.4
355.63986	0.8
375.74561	0.8
429.28253	1.1
446.24557	23.3
447.29803	11.2
489.30722	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	489.3587
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
57.79152	1.3
59.01365	2.1
67.22233	1.4
70.85509	1.4
78.26868	1.5
127.13630	1.6
236.42094	1.6
293.53354	2.0
385.34796	8.4
404.97366	1.8
427.32214	6.8
441.34195	3.5
443.35242	8.6
445.36838	22.7
489.35870	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	489.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53986	1.3
57.38088	1.1
59.01377	38.7
69.38811	1.5
70.78493	1.2
71.01383	1.4
78.95903	2.3
79.95742	1.3
84.71435	1.2
88.22771	1.2
91.03989	13.6
99.08148	2.2
106.00383	1.5
122.25658	1.8
127.11310	2.3
129.82855	1.3
131.49167	1.4
139.11308	10.6
145.04495	1.4
152.99606	6.8
153.12791	3.0
157.12305	2.2
157.62115	1.5
179.00987	1.7
197.11835	36.1
211.13454	1.6
227.12859	2.1
237.14908	10.6
255.15918	6.4
291.82327	1.7
319.22849	1.6
337.23883	15.4
355.24887	100.0
409.06079	1.4
489.22144	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	489.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61451	1.7
51.32356	1.8
58.02967	3.1
59.01379	25.5
64.24178	2.0
70.67450	1.9
71.01370	35.6
72.99299	3.8
73.02933	28.1
85.02956	3.4
87.00816	2.5
87.82542	2.0
89.02422	9.0
92.78564	2.1
93.03427	3.9
96.95995	4.0
97.02945	2.5
100.04060	2.3
101.02416	12.3
113.02411	3.6
115.00355	36.1
119.03463	2.3
121.02934	59.5
121.06562	31.4
121.74671	2.5
122.09711	2.2
123.04510	55.1
123.08104	3.3
129.10300	18.4
133.01413	56.2
135.08116	2.5
141.09303	4.3
141.10347	17.5
147.04633	2.5
153.10312	3.5
155.11913	9.0
160.49014	2.2
165.01921	31.9
165.05519	37.2
171.07703	4.1
171.11319	21.9
191.11954	3.4
193.13438	4.8
201.12407	13.5
207.02927	12.3
213.12511	3.2
225.13731	2.8
236.04779	2.3
285.69336	2.3
300.24579	2.7
302.38904	2.3
320.59140	2.0
331.22424	27.8
373.24561	100.0
447.15118	8.4
489.12546	16.8
489.16455	18.1
489.25726	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13753	1.2
57.72071	1.4
59.01379	100.0
71.01366	26.1
73.02935	3.5
79.90614	1.6
83.01406	2.4
85.02954	13.5
85.27293	1.5
87.00863	2.3
89.02413	4.2
90.26620	1.6
97.02937	2.6
99.00872	7.6
101.02422	12.5
113.02415	12.5
125.02394	3.7
131.03490	7.5
215.05560	9.4
233.06647	4.1
315.17972	2.6
338.63855	1.8
403.10950	4.0
429.21207	49.8
447.22253	12.3
489.23651	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.6
60.61790	2.4
76.50652	2.2
80.17598	2.4
81.03239	2.3
91.05495	9.7
100.05162	2.2
100.42339	2.3
118.06621	41.9
147.04491	13.3
156.08076	2.8
158.09773	5.6
164.07065	3.3
167.00977	2.7
182.25471	2.5
261.12247	2.3
267.06512	4.8
282.08997	3.7
288.85803	2.8
297.11447	4.8
352.09341	2.6
394.68561	3.3
407.80225	2.6
446.24487	100.0
489.14041	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83764	1.3
57.03451	1.9
59.01085	4.0
59.01378	100.0
71.01381	31.6
72.19498	1.7
73.02943	2.2
75.00859	6.7
83.01405	1.7
85.02946	11.1
87.00874	2.6
89.02434	25.9
93.03461	3.0
96.96008	3.1
101.02433	16.7
113.02431	21.2
119.03468	9.0
121.02937	13.4
122.03270	2.6
131.03474	1.9
149.74748	1.9
156.95036	1.9
161.04510	2.6
179.05609	9.3
238.10785	1.8
429.21320	46.8
489.15997	28.2
489.22629	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65086	0.5
59.01380	100.0
71.01378	3.3
85.02926	1.3
89.02450	2.6
95.07567	0.6
97.10500	0.6
101.02432	3.4
112.57130	0.6
113.02454	3.1
119.03537	1.0
125.47761	0.6
125.58987	0.6
161.04422	0.6
163.82301	0.6
166.30269	0.7
179.99960	0.7
219.74731	0.7
244.22314	0.6
248.40930	0.6
282.05408	0.9
369.19049	7.4
387.20313	3.7
417.44037	0.7
429.21259	15.3
471.08566	0.7
489.23364	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78279	1.0
57.09975	1.0
59.01376	100.0
68.03894	1.1
71.01370	16.3
71.58289	1.0
72.57277	1.1
73.02934	7.7
83.01356	1.5
85.02964	5.4
89.02432	22.0
92.19384	1.9
101.02447	15.7
103.52731	1.1
111.97883	1.2
113.02415	9.5
114.91651	1.1
119.03499	6.7
121.02934	1.4
121.06548	1.6
122.03737	15.0
123.04491	1.4
133.02936	6.1
135.04520	1.3
137.06071	5.2
150.03203	11.8
161.04588	5.0
165.05560	7.6
179.05597	9.0
182.05865	8.1
189.58858	1.4
197.08183	11.1
211.54459	1.3
271.10800	1.9
285.52472	1.3
403.12360	1.5
429.21240	25.8
445.13507	7.6
489.23676	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
63.59985	0.9
71.01371	1.9
78.15444	0.8
82.27163	1.0
89.02444	2.3
101.02411	1.5
113.02421	1.4
115.38831	1.1
122.94823	1.2
145.64131	0.9
192.78336	0.9
281.69687	0.9
334.39545	1.0
429.21341	6.0
486.87613	1.1
489.23566	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	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01377	100.0
66.05247	1.6
71.01372	21.4
73.02934	17.4
83.01375	1.8
84.26734	1.8
85.02943	8.7
87.00859	3.2
89.02431	15.8
96.96000	21.0
101.02430	27.9
113.02422	17.4
119.03490	6.8
119.05011	9.9
121.02951	18.7
121.06574	9.4
123.04516	22.9
128.34082	1.6
144.52914	1.5
149.02444	8.2
150.63295	2.1
161.04529	9.8
163.03966	3.4
165.01901	11.0
165.05563	14.9
178.77361	1.6
179.05641	3.0
189.12909	3.4
193.05086	1.8
207.02963	3.7
237.12454	9.1
247.08186	3.2
267.08749	3.0
267.13431	7.0
429.21323	29.8
447.22452	9.1
469.78522	1.8
479.28931	2.2
489.15881	11.0
489.23370	11.9
511.34991	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89542	0.7
57.81148	0.8
59.01376	100.0
71.01370	1.8
89.02417	1.9
101.02430	1.5
101.82536	0.8
113.02422	1.7
118.32949	0.8
255.06589	3.8
267.06711	3.1
278.75217	0.8
369.19324	1.4
429.21091	6.2
488.81885	0.9
489.23486	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2133
Annotation	beta-D-Glucosyl crocetin
Peak:m/z	Relative Intensity
55.98561	0.4
57.00120	0.5
57.65378	0.5
59.01366	1.1
71.01385	1.1
74.03833	0.5
76.53886	0.5
85.02952	0.5
95.02737	0.5
95.08137	0.5
97.89077	0.6
101.02451	0.6
164.01884	0.5
179.47350	0.5
199.11340	0.6
217.93588	0.6
222.16927	0.5
250.04112	0.6
267.13879	0.7
283.17044	100.0
327.16101	3.0
369.19296	0.5
445.19965	2.1
489.21390	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	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70719	1.6
59.01380	63.6
68.62976	1.6
71.01366	20.6
72.43172	1.7
73.02931	53.0
83.01369	7.5
83.08015	1.7
83.99357	1.6
85.02933	3.0
89.02433	12.2
95.64269	1.8
101.02441	36.2
113.02438	13.1
115.54983	1.8
121.06575	64.7
143.03516	2.5
145.06650	2.1
147.04501	8.7
161.04575	9.1
165.05544	100.0
177.23506	1.8
179.06029	1.9
187.11273	2.2
205.12369	14.2
367.17661	7.7
427.19611	14.1
489.09744	3.4
489.16196	65.2
513.48950	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.0
61.34567	0.9
62.31301	0.8
71.01365	5.4
77.18687	0.9
80.61929	0.9
89.02413	3.7
92.19994	1.0
96.95992	1.4
101.02418	3.4
106.04195	1.4
107.97668	0.8
108.60615	1.2
113.02452	1.7
115.95876	1.0
119.04981	1.7
121.06574	66.1
128.03555	1.3
138.98331	0.9
145.06468	0.9
147.04498	11.7
152.13881	0.9
165.05550	100.0
260.27869	1.0
309.09659	1.2
327.10745	1.6
489.16113	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00105	0.9
59.01367	2.2
60.96206	0.9
72.06577	1.1
73.62930	1.0
105.07085	1.6
114.30220	1.0
143.05119	1.1
149.06062	100.0
160.05090	1.2
203.07140	4.7
227.03476	15.2
242.05833	52.1
255.06619	1.4
257.08200	54.4
270.08984	1.8
339.12201	2.1
489.19650	1.5
489.34943	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	489.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	18.4
71.01369	8.7
73.02938	1.7
82.42765	0.8
83.01385	0.9
85.02924	1.6
89.02439	5.7
91.05562	1.0
93.03434	5.2
96.95992	1.5
101.02425	9.4
102.47259	0.8
113.02409	7.2
119.03513	1.1
121.02946	41.5
121.06542	8.6
123.04504	100.0
136.91722	0.9
161.04489	1.2
163.04050	1.1
165.01878	6.6
165.05528	9.4
207.02988	1.5
322.97745	0.9
347.99918	0.9
447.15039	11.3
465.19907	0.8
489.16418	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	20.0
67.85995	0.4
71.01369	2.8
73.02933	2.2
75.68889	0.4
78.95897	2.3
79.95734	0.8
83.01347	0.5
85.02895	0.4
89.02413	3.1
95.98396	0.4
96.95992	100.0
96.96877	5.3
101.02439	3.7
101.13819	0.4
113.02423	2.5
142.13683	0.4
178.33235	0.5
193.12408	0.5
202.41750	0.4
214.08586	0.4
229.10994	0.8
273.10153	0.7
347.17090	3.8
429.21252	2.6
481.41565	0.5
489.23273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	20.0
67.85995	0.4
71.01369	2.8
73.02933	2.2
75.68889	0.4
78.95897	2.3
79.95734	0.8
83.01347	0.5
85.02895	0.4
89.02413	3.1
95.98396	0.4
96.95992	100.0
96.96877	5.3
101.02439	3.7
101.13819	0.4
113.02423	2.5
142.13683	0.4
178.33235	0.5
193.12408	0.5
202.41750	0.4
214.08586	0.4
229.10994	0.8
273.10153	0.7
347.17090	3.8
429.21252	2.6
481.41565	0.5
489.23273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00816	1.2
59.01374	11.2
60.57794	1.7
71.01388	2.1
75.32730	1.5
82.45436	1.7
83.74395	1.9
99.00847	2.6
99.92536	3.4
100.93359	14.3
104.43116	1.9
115.92017	16.9
116.92026	4.1
116.92841	100.0
133.66026	1.7
142.94423	2.3
195.21808	1.8
270.12814	1.9
335.05682	1.7
403.10797	2.7
414.66489	2.1
430.72220	2.0
445.11588	7.0
453.08423	2.4
489.10721	33.1
489.27219	4.4
508.36240	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	488.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33416	0.6
56.53345	0.6
71.01752	0.7
102.05602	31.1
119.95817	0.7
127.05111	4.1
128.03525	34.3
128.55472	0.7
145.06186	19.1
146.04585	100.0
146.06497	8.2
239.56976	0.8
260.05640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66112	0.5
55.75800	0.7
59.01382	10.9
63.50697	0.7
66.78728	0.7
71.01381	3.6
73.02916	0.9
74.61334	0.7
76.50091	0.7
77.74326	0.6
85.61403	0.7
89.02431	1.7
96.96014	1.0
101.02442	1.1
113.02409	1.8
119.03471	1.3
121.02929	1.1
123.04474	3.0
125.55636	0.7
133.02893	1.7
135.04460	5.4
137.02426	2.9
149.02356	1.4
155.79881	0.7
160.08722	0.7
169.18761	0.7
179.05679	0.9
189.38956	0.7
239.07040	1.3
241.05009	0.9
249.12325	0.9
266.12555	1.2
282.05338	12.3
283.06113	100.0
357.18182	6.7
427.18832	1.7
429.21442	3.8
445.11465	22.3
489.10370	11.6
489.18704	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	488.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69167	2.4
74.02472	2.8
86.02467	11.4
96.96000	3.2
99.05633	4.5
102.06377	2.4
115.42970	2.3
125.03525	13.3
163.00761	2.5
164.01862	7.1
176.01761	10.3
190.03333	18.1
204.04826	13.3
220.47714	2.5
262.56445	2.4
280.11258	19.4
287.08719	3.3
290.09711	37.1
304.11234	13.6
316.11176	10.3
318.12836	9.3
344.10693	4.3
357.14063	5.1
362.11801	62.6
371.15341	5.6
387.14990	11.9
401.12234	4.9
401.16501	13.0
427.14169	2.7
444.17072	13.0
471.13495	5.8
488.16058	100.0
488.23141	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	488.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34005	0.5
58.93131	0.6
66.22569	0.7
84.99854	0.9
102.05592	30.7
128.03523	34.6
145.06137	4.9
146.04579	100.0
162.29878	0.9
163.28476	0.8
166.93011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54119	1.1
57.03447	1.5
87.00858	7.0
92.19991	1.4
94.08945	1.2
99.00889	1.8
99.04510	2.2
104.02621	1.8
117.01917	2.4
126.48476	1.1
150.52617	1.4
153.00154	2.2
161.04544	12.4
163.99373	11.9
165.00136	39.3
166.00922	1.5
179.05614	27.1
191.98860	100.0
192.99640	94.9
193.01424	2.5
220.04362	6.3
308.04312	2.1
346.00208	1.2
372.05182	22.9
488.10559	78.7
510.80115	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	488.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02944	5.7
71.01365	5.0
76.26844	3.6
80.22676	3.9
96.96013	28.2
98.00679	29.5
110.00692	7.1
118.03307	8.8
119.04993	5.4
126.44120	3.9
130.78830	4.2
151.04042	5.3
153.05550	8.3
159.37138	4.0
164.04764	31.5
166.06352	5.6
179.07109	31.7
202.05080	16.4
204.06638	7.9
215.05833	9.2
216.06615	7.4
217.07416	78.4
219.08949	23.9
219.10854	4.1
230.08165	7.1
232.09790	86.3
234.02318	18.1
234.11334	16.5
249.04633	9.8
264.06989	100.0
266.08627	5.0
282.08044	5.7
288.67062	4.0
342.03674	4.8
461.71622	4.6
488.12231	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36656	0.7
61.50930	0.8
63.25845	1.0
66.75101	0.9
73.39038	1.0
78.29034	1.0
86.40428	0.9
109.07674	0.9
233.26726	0.9
351.76627	1.0
423.32455	1.1
427.32040	1.2
467.31717	4.9
469.33276	21.7
487.34296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02567	6.5
71.01367	6.6
94.01306	7.4
96.41673	8.4
108.91821	7.5
112.81940	8.1
152.97923	7.9
163.44527	7.9
182.39011	7.6
196.37183	7.9
208.71948	8.1
400.80566	10.5
487.34711	100.0
501.07709	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	487.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02153	1.2
55.34141	1.2
58.69229	1.3
59.01371	3.6
59.82076	1.5
59.88829	1.2
64.61661	1.2
65.86262	1.4
77.26149	1.3
89.02435	2.7
90.00571	1.3
101.02431	1.9
119.03529	1.5
119.63477	1.4
134.03743	1.8
160.01659	3.0
175.03963	7.9
218.48265	1.4
225.51947	1.4
233.18765	1.5
234.02545	1.4
251.20168	100.0
253.09261	9.2
487.27020	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	487.3058
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
54.98903	1.1
58.75933	1.1
59.01088	2.9
59.01379	70.5
70.33385	1.3
71.01374	7.2
73.02926	6.1
75.36940	1.4
75.46266	1.1
80.94186	1.2
83.01418	1.2
88.65378	1.3
88.75269	1.1
89.02429	2.0
91.56414	1.3
92.19324	1.3
98.49864	1.3
101.02435	8.9
103.47930	1.3
107.16769	1.4
107.84959	1.3
115.28561	1.4
120.04649	1.3
132.92598	1.5
138.06815	2.4
151.07635	3.0
152.08423	11.5
153.09203	33.6
205.12285	12.1
223.13353	9.0
243.42606	1.4
338.37421	1.3
348.63416	1.3
367.08228	2.2
367.17780	9.3
427.19714	32.5
487.12354	1.7
487.30591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76889	2.4
52.56280	2.4
53.40463	2.6
57.19830	2.4
59.23488	2.9
81.42871	2.8
99.00857	13.2
99.81000	3.0
105.89762	2.8
150.84683	3.3
182.17607	3.0
190.09979	57.0
221.49965	2.9
247.17003	100.0
287.30051	3.4
291.16187	4.8
449.76035	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	487.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	4.1
59.01378	100.0
71.01380	6.1
73.02917	2.5
89.02438	5.4
91.06191	2.8
95.67213	2.4
100.67078	2.9
101.02434	13.1
113.02404	4.2
125.78062	2.7
159.74733	2.9
401.25470	4.1
460.40384	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	3.3
59.01377	100.0
71.01363	14.7
73.02939	32.3
83.01365	6.5
85.02922	3.3
87.00848	2.4
89.02407	12.4
93.71386	1.7
97.24500	1.6
101.02425	24.8
113.02426	9.3
119.03484	3.2
125.57366	1.5
149.04471	1.9
161.04514	11.0
176.08366	2.0
187.11275	13.9
190.09978	2.8
205.12325	20.7
212.13159	1.9
233.11794	8.5
259.13318	3.9
277.14417	3.5
341.08871	2.1
409.18417	2.2
427.19504	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00719	0.8
51.33937	0.7
52.77417	0.8
53.74701	0.9
59.01377	100.0
59.16657	0.8
63.05293	1.0
64.28896	0.9
71.01376	8.3
73.02937	10.8
75.01156	0.8
78.21436	0.8
83.01402	1.8
83.65532	0.9
85.02917	3.6
89.02419	4.3
97.41816	0.9
101.02422	12.6
102.98560	1.2
111.00874	1.3
113.02428	7.4
119.03479	1.9
119.30939	0.9
123.04494	5.9
128.27846	1.0
143.03482	1.1
148.72800	0.9
149.04492	2.1
151.07686	1.3
152.08392	3.8
153.09212	7.1
154.93289	0.9
161.04512	7.1
161.05905	2.4
195.04770	4.2
205.12346	4.3
221.04663	1.0
221.06680	5.5
367.17679	13.4
385.18561	1.4
401.48761	0.9
427.19620	18.0
487.12720	1.8
487.21933	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	487.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92300	1.2
59.01379	100.0
60.16338	1.2
61.69218	1.4
64.94598	1.3
67.25246	1.3
68.34250	1.4
71.01384	11.5
73.02930	2.6
83.05013	2.1
85.02938	1.7
88.23640	1.4
89.02419	7.0
90.96777	1.5
93.03435	2.4
96.96001	3.1
101.02422	6.8
104.63550	1.5
111.04552	1.5
113.02451	3.3
119.03464	2.7
121.02934	6.5
136.05280	3.0
138.06863	3.1
139.07617	11.3
161.04514	3.5
168.07941	17.9
179.05614	1.7
206.52406	1.5
217.12325	8.6
235.13380	11.1
247.13319	8.3
265.14420	29.7
311.17007	1.7
358.10852	1.4
397.18472	2.5
427.19806	25.3
487.21796	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	487.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20464	1.8
56.91302	1.8
59.01376	100.0
71.01380	9.8
73.02940	9.5
85.02942	2.9
86.85847	1.9
89.02428	3.3
101.02414	8.8
110.23318	1.9
113.02441	4.3
138.06764	2.9
151.07620	8.6
152.08420	9.7
153.09186	54.1
202.59219	2.2
205.12315	17.2
223.13390	12.6
367.17636	12.9
385.18509	2.9
427.19724	46.4
487.21683	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	487.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86176	1.0
56.23723	0.9
59.01377	100.0
59.27864	0.9
61.15075	1.0
61.40670	1.1
68.52984	1.2
69.77271	1.0
71.01382	9.6
73.02931	6.4
83.05032	1.8
89.02417	1.6
92.19424	1.6
93.41029	1.1
101.02406	7.8
102.84941	1.0
111.04498	5.0
113.02422	4.7
113.06085	2.8
119.04980	1.2
120.14540	1.2
130.89142	1.2
130.96455	1.2
149.09721	1.5
161.04552	1.6
175.37959	1.3
240.92368	1.1
265.14407	1.3
383.89969	1.0
427.19638	4.8
487.21811	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79029	2.0
56.48075	1.5
59.01374	100.0
59.50433	1.5
64.17458	1.5
64.90362	1.6
71.01354	7.5
73.02932	16.3
87.32858	1.7
89.02451	2.3
101.02404	12.6
113.02421	2.8
120.29401	1.7
158.60019	1.8
161.04541	3.1
167.45911	1.9
220.96872	1.7
221.06636	2.0
223.13409	4.0
283.02438	1.7
292.03488	2.3
396.09604	1.8
427.19604	2.5
443.18994	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	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	93.5
68.46353	4.2
71.01363	26.0
73.02927	38.3
83.01360	8.8
85.02912	4.2
89.02456	6.8
91.95136	4.6
101.02415	27.6
116.23703	4.3
150.36986	3.7
159.03859	3.6
174.32703	4.5
198.45508	4.1
199.02629	4.1
221.15422	7.8
239.16518	4.8
323.85934	3.9
401.21704	6.7
443.22870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77293	2.0
59.01376	100.0
59.24994	2.0
66.38018	2.3
71.01372	16.1
73.02916	4.0
78.68979	2.6
85.02943	3.2
87.00851	3.3
89.02412	3.0
98.14231	2.8
99.00827	2.4
101.02419	15.1
113.02448	9.8
122.93532	2.2
130.34341	2.3
163.01776	2.8
198.91150	2.3
269.91061	2.7
357.22638	4.6
417.98117	2.5
443.22906	13.7
455.33115	2.5
476.19760	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	487.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
64.84333	0.8
67.37517	0.8
71.01385	2.1
73.02943	1.4
74.76630	0.7
83.37801	0.7
85.02939	1.4
92.77586	0.9
100.33974	0.9
101.02442	0.9
101.65315	0.8
113.02419	1.2
113.83311	0.8
149.16060	1.0
153.09212	1.1
380.85818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46941	0.8
50.75320	0.9
51.74717	0.8
54.66866	0.8
54.81044	0.9
59.01376	100.0
59.42574	0.9
71.01371	6.6
73.02952	1.7
85.02943	1.9
89.02483	1.2
96.77751	1.2
101.02426	3.6
113.02428	6.4
119.05008	4.2
123.04501	5.3
151.07594	2.1
152.08380	8.8
153.09193	14.5
161.04561	2.2
161.06004	1.5
163.04018	1.7
195.04839	6.1
205.12325	7.0
223.13327	2.0
353.93100	1.1
359.01660	1.1
367.17584	25.0
385.18427	4.6
427.19727	32.9
487.13095	1.6
487.21671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01378	96.7
60.69899	1.5
69.69698	1.4
71.01371	23.2
73.02948	21.0
82.73888	1.6
83.01379	7.8
85.02944	9.1
89.02420	12.0
95.01375	2.0
99.00858	2.4
101.02431	36.5
102.74271	1.5
107.33089	1.4
113.02444	16.6
119.03477	2.1
123.08151	3.6
135.12695	1.4
161.04619	5.1
177.12814	8.3
195.13835	2.5
221.11765	2.1
286.92542	2.1
391.40549	1.6
401.18219	15.2
443.19217	100.0
443.25385	3.6
487.20490	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34326	1.9
52.35180	2.0
55.01868	3.2
56.05320	1.9
56.98372	2.2
57.22573	2.1
59.01381	100.0
68.59351	1.9
71.01375	72.6
72.66145	2.2
73.02943	31.4
83.01384	14.7
85.02939	32.8
87.00868	11.1
89.02430	48.4
95.01366	5.4
95.69933	2.7
97.02924	4.1
99.00863	5.7
101.02433	69.9
113.02426	50.1
119.03477	15.9
129.01939	3.2
131.03485	16.6
143.03456	5.1
146.50113	2.5
149.65871	2.4
159.02957	2.8
161.04553	32.0
179.05635	34.6
221.06668	51.0
229.98239	2.9
263.07779	15.3
335.27380	2.7
445.17007	24.9
487.18170	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	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22458	1.2
59.01376	65.6
59.04422	1.5
71.01368	20.4
73.02931	17.0
77.96838	1.6
83.01374	6.3
85.02934	7.6
87.00890	3.1
89.02421	9.5
95.01351	2.0
101.02432	30.2
113.02415	10.4
113.69275	1.3
119.03466	3.3
123.08155	5.7
161.04581	2.2
177.12823	8.4
195.13974	2.7
221.11752	1.5
240.98903	1.6
323.56845	1.6
399.18399	6.2
401.18231	16.0
411.97150	1.7
443.19238	100.0
487.20047	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	487.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.7
59.01379	100.0
71.01370	19.6
71.89056	2.5
73.02937	31.6
79.71768	3.2
80.19529	2.7
83.01376	3.7
85.02915	12.8
87.00869	4.4
89.02428	6.7
96.95985	4.2
97.82945	3.2
101.02430	23.8
107.05019	3.4
111.00885	4.4
113.02417	17.8
119.04947	3.6
151.07608	26.7
161.04613	3.4
161.09631	4.4
163.03865	5.0
163.07660	18.0
165.09184	6.4
177.09128	3.9
179.10773	17.2
188.08354	4.8
200.58350	3.2
203.10774	55.4
205.12282	4.2
221.11861	57.0
225.00722	4.9
349.75525	3.5
376.11334	3.5
388.68054	3.3
487.14758	30.2
487.22107	12.7
501.84363	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98503	0.5
55.06017	0.5
59.01388	0.6
66.53270	0.5
70.97293	0.5
79.52003	0.5
84.04526	0.8
89.02421	1.0
98.02454	0.6
99.55521	0.5
101.02425	1.3
101.07191	1.0
109.04050	4.2
125.03551	2.1
127.05123	20.8
128.03500	6.2
131.86693	0.6
145.01404	2.6
145.06175	100.0
145.09848	1.2
191.96233	0.6
206.21490	0.6
341.10843	2.7
487.17599	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	487.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.4
59.01369	3.2
59.62379	0.8
63.97427	0.7
71.01366	4.7
71.05023	0.8
72.99240	0.7
73.02937	0.9
82.48285	0.6
83.05009	1.7
85.02942	1.2
89.02435	3.7
92.26765	0.7
99.04491	1.6
99.29055	0.7
101.02425	14.2
101.06067	8.0
109.04037	1.3
113.02534	0.8
127.03982	13.4
127.05083	5.1
128.03545	0.9
145.01416	16.9
145.05043	100.0
145.06178	27.6
162.89345	3.6
165.39449	0.7
207.45282	0.6
251.96761	0.7
319.59171	0.7
341.10727	4.9
381.64838	0.8
486.99545	0.9
487.17734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28596	1.1
55.44703	1.2
56.34268	1.4
59.01378	14.3
59.48895	1.4
66.93600	1.2
71.01372	26.8
73.02969	1.2
87.00879	2.3
88.04022	1.8
89.02449	1.5
115.00338	22.5
116.05090	1.2
118.94210	1.3
135.05624	7.1
145.04086	5.8
163.08734	3.0
172.14325	1.3
188.20140	1.4
216.94148	1.4
220.07410	2.2
239.78317	1.4
242.86424	1.3
255.09103	2.5
267.04147	9.0
282.06451	47.5
283.07224	15.8
284.08084	6.0
297.08798	51.8
298.09497	6.9
307.34729	1.6
311.10376	2.8
323.10553	2.1
351.13675	3.4
371.16113	8.9
372.14288	2.9
487.17233	100.0
487.24442	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	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14570	0.2
52.82950	0.2
59.01382	4.9
71.01362	2.4
73.02928	0.5
74.64132	0.2
75.49252	0.2
77.50285	0.2
81.03547	0.2
81.86766	0.2
85.02956	0.4
89.02445	0.6
93.03439	26.0
95.01423	0.3
96.96010	0.2
101.02415	2.1
113.02425	1.1
117.87386	0.3
121.02934	100.0
124.23310	0.3
161.04605	0.5
192.22047	0.3
242.32767	0.3
323.09698	0.3
384.07825	0.3
443.89307	0.3
445.13519	5.6
474.24292	0.3
487.14606	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	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59137	0.8
55.01862	1.4
57.25219	1.0
59.01381	30.0
62.73444	0.9
62.77572	0.9
67.40366	1.0
71.01373	38.4
73.02938	15.2
74.06960	1.0
74.36844	0.9
80.67130	1.0
83.01357	2.3
85.02926	13.8
87.00861	10.7
89.02427	22.6
95.01385	1.7
99.00861	2.6
101.02427	32.6
103.24870	1.1
103.85569	1.0
112.67443	1.0
113.02436	25.5
119.03500	5.6
119.05009	99.8
131.03485	13.2
133.65567	1.1
143.03479	3.8
159.02997	4.9
161.04556	20.3
163.04005	16.3
179.05588	11.5
216.44110	1.0
221.06639	19.6
223.63622	1.2
263.07709	6.2
263.58337	1.1
325.09555	1.2
334.57568	1.1
396.34421	1.4
416.79510	1.1
487.14584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.8
80.58279	0.8
96.96985	0.8
119.05006	100.0
122.41830	1.0
128.01579	1.0
131.67317	0.8
161.92841	0.9
163.03992	66.0
178.39951	1.0
192.77975	1.3
293.25366	0.9
426.54904	1.0
487.14587	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	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.0
71.01366	6.9
73.02933	2.1
83.73417	0.6
85.02955	0.9
87.00854	1.0
89.02413	6.8
96.95966	0.9
101.02430	6.1
113.02423	4.1
119.04998	100.0
131.03490	2.6
161.04559	3.0
163.03998	26.2
179.05577	2.4
191.92087	0.6
221.06664	2.5
236.46809	0.6
353.00967	0.5
487.14563	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73336	1.6
55.78795	1.3
58.15956	1.2
58.99596	3.4
59.01380	51.9
70.99590	23.0
71.01362	12.1
73.02931	2.6
74.99080	3.4
75.98443	1.4
85.02940	1.9
85.24103	1.3
87.00835	1.5
89.02463	1.6
90.34425	1.4
96.96030	1.7
101.02442	5.6
102.98585	35.4
108.02161	11.3
113.02428	7.3
119.04983	9.0
120.99699	1.8
123.04510	92.4
123.76368	1.7
146.03691	13.4
153.09172	6.8
161.04669	5.3
161.06044	54.7
163.00691	2.3
163.03978	1.9
179.01620	1.9
180.02502	1.8
194.04120	1.9
195.04846	100.0
205.12325	6.9
221.06404	6.0
325.07233	2.7
357.10110	23.5
367.17667	7.8
427.19843	11.3
445.11731	6.3
487.12909	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	487.128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99607	3.6
59.01376	100.0
70.99593	4.3
71.01375	18.1
73.02931	5.2
74.99081	3.0
84.35158	2.7
85.02927	4.9
89.02450	4.6
101.02422	11.2
102.98577	37.4
108.02146	3.2
113.02441	10.8
120.99635	4.3
123.03657	4.2
123.04509	83.6
135.04527	5.0
152.08488	3.4
153.09195	15.8
161.04512	8.5
161.06044	19.0
166.35449	2.1
195.04854	76.5
205.12242	4.2
221.06496	4.3
223.95287	2.6
285.73895	2.3
308.19720	2.2
309.20175	4.0
341.03577	2.5
357.09952	20.6
367.17661	22.9
427.10657	2.7
427.19809	34.6
445.11880	11.3
487.12796	59.8
487.26660	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	487.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06481	0.5
52.42037	0.4
69.80164	0.5
74.92974	0.5
84.28018	0.7
87.00861	100.0
93.03423	2.7
111.04509	9.9
116.02260	0.6
137.02451	2.7
155.03487	1.1
223.03964	0.9
243.05066	19.6
487.16086	5.2
489.29272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52292	0.7
55.92316	0.6
57.03434	1.0
59.01377	70.1
71.01390	5.3
73.02934	4.8
75.27393	0.6
85.02945	3.1
86.49850	0.7
89.02441	4.6
101.02441	8.6
112.15304	0.7
113.02428	4.0
116.92845	1.0
119.03565	2.8
119.05004	100.0
133.02954	5.8
135.04532	10.9
139.44205	0.8
139.45393	0.7
149.04630	0.7
161.02428	91.2
163.03992	36.5
163.07646	0.9
177.05569	4.4
179.03484	14.3
195.05006	0.9
201.92993	0.7
221.04552	4.5
240.07359	0.8
281.06644	2.7
297.05856	0.9
323.07736	10.7
325.09299	5.8
341.08905	4.2
487.12497	52.9
487.20322	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34865	1.1
61.89674	1.3
63.48078	1.1
87.00864	100.0
92.66159	1.2
93.03414	2.5
109.04050	1.5
111.04519	9.9
127.05103	10.3
128.03506	2.8
137.02441	6.9
141.92659	1.4
145.01454	4.2
145.06177	41.4
181.22791	1.2
238.65024	1.4
243.05089	32.3
255.80193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27653	0.8
54.67785	0.8
61.98826	100.0
71.65020	0.9
115.51256	0.9
116.05052	1.5
117.05411	1.0
157.07605	1.1
182.22453	0.9
436.61676	1.0
486.25949	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	486.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81649	0.4
60.00138	0.4
66.21059	0.5
72.00911	7.2
86.14805	0.5
147.03340	0.7
147.04512	34.2
164.07164	100.0
227.38379	0.6
375.36737	0.6
423.03616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36171	7.9
54.24358	9.5
59.10346	9.8
59.42824	8.9
68.77907	10.6
95.32702	9.9
107.64208	12.5
122.79874	10.0
125.09681	91.4
151.14412	10.0
184.62584	11.8
187.09680	86.0
187.91348	10.9
249.42191	11.0
252.23305	11.5
300.43073	11.3
306.71011	11.7
315.25406	11.5
464.43576	11.6
485.34634	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	485.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12300	4.0
77.55900	4.5
82.58607	4.3
84.42740	3.7
84.96465	4.7
92.72921	3.9
93.31187	4.7
97.70852	4.0
125.09704	100.0
187.09749	65.7
297.24280	8.8
311.82062	4.2
355.51917	4.8
485.34930	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27077	0.9
59.01383	8.0
61.98826	100.0
71.01366	1.0
72.99290	1.3
113.02398	1.6
125.02436	2.4
142.76439	1.1
180.97882	1.2
338.53998	1.2
367.13895	4.7
395.13089	1.6
423.12997	2.8
486.12784	2.3
486.23352	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	485.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98991	0.3
53.19330	0.3
56.54463	0.3
84.28776	0.3
93.94781	0.4
103.37466	0.3
127.08427	0.3
154.64146	0.4
204.85890	0.4
207.25687	0.4
273.99042	0.3
314.67172	0.3
332.18805	0.4
332.60065	0.3
442.25052	0.4
469.25323	1.8
470.25668	0.5
485.28293	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	485.3275
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
56.04262	0.9
59.00364	1.1
70.19414	1.0
71.05024	1.6
72.84675	0.9
74.78208	1.0
79.54358	0.9
100.29755	1.1
112.45216	1.1
137.10710	0.9
143.73743	1.1
181.37683	1.0
358.20459	1.2
393.31839	1.9
423.32736	4.2
425.30835	3.9
437.30756	2.3
467.31766	23.4
485.32755	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	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69315	2.5
58.35093	2.2
59.01383	10.8
61.42546	2.6
62.64597	2.4
71.01367	2.8
78.64700	3.1
101.02417	3.1
106.66311	3.0
249.18576	100.0
253.09285	11.4
285.29813	3.4
407.97894	3.2
410.39838	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	485.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80404	3.6
54.81513	3.2
60.40017	3.2
61.08181	3.2
61.13726	4.1
65.88036	3.3
69.28373	4.0
78.39423	3.4
80.66402	3.6
109.21970	3.9
176.11754	3.8
293.99341	4.3
297.08591	4.3
485.28271	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	485.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77104	1.7
59.01363	7.5
60.07778	1.7
75.11337	1.6
75.29501	2.0
89.02441	3.5
99.50299	2.0
101.02415	7.5
101.79534	1.9
105.05135	1.9
235.15228	2.2
249.18605	100.0
253.09258	11.7
305.82053	1.9
332.28360	1.9
340.83987	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	485.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88647	0.7
53.48024	0.7
69.43745	0.7
74.02466	3.6
96.04536	3.8
98.06094	1.9
108.04556	1.5
110.06118	7.3
116.05048	16.0
122.06004	1.0
124.07671	7.1
124.93563	0.8
128.03529	0.9
130.06630	1.0
136.24066	0.9
137.04819	3.8
142.06612	3.7
151.08740	0.9
156.06891	1.5
156.08133	1.6
157.07669	12.5
158.09735	4.0
159.09186	1.2
166.75009	0.8
187.12386	4.3
203.08229	3.8
239.12086	1.5
283.10779	1.1
284.11636	5.7
285.12479	1.1
307.32828	1.0
312.20981	1.3
338.18704	2.0
356.19797	7.9
390.69553	0.9
485.25604	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	485.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94990	0.9
62.32135	0.7
74.02479	3.3
95.52669	0.8
96.04533	2.0
98.06120	1.4
108.04542	1.0
110.01289	0.8
110.06100	6.9
111.39456	0.8
116.05046	17.4
124.07661	7.2
130.06587	1.0
137.04808	4.6
142.06633	3.8
154.05020	1.0
156.08163	1.4
156.10719	0.8
157.07669	10.5
158.09741	4.9
159.09268	1.3
187.12370	5.4
196.11304	1.1
203.08249	3.9
210.00031	0.9
216.65524	0.9
239.11937	1.7
256.15359	0.9
284.11646	5.3
285.12424	1.8
299.13553	0.8
338.18591	1.0
356.19907	9.0
441.26480	1.1
455.47565	0.9
485.25598	100.0
490.03299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56158	1.8
59.01379	100.0
71.01365	10.9
73.02943	4.5
85.02949	9.6
89.02398	2.5
101.02427	12.1
108.58500	2.0
113.02419	4.3
127.78014	1.9
141.41037	2.1
176.74640	2.0
196.64566	2.5
239.56404	2.1
273.34012	2.4
329.22974	2.6
399.23691	3.1
441.25110	3.7
485.23972	8.4
485.31445	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	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	3.7
59.01380	100.0
65.29333	2.3
67.05530	3.2
67.32199	2.4
71.01368	13.7
73.02934	18.3
78.64146	2.1
83.01376	3.3
85.02905	3.7
88.80119	2.3
89.02454	3.7
96.90163	2.4
101.02411	14.7
109.50159	2.0
113.02431	9.7
124.68315	2.2
128.28709	2.5
139.57387	2.6
171.33917	2.2
219.94142	2.3
303.62280	2.3
399.23911	3.3
425.21249	2.8
441.20819	5.0
485.23639	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	485.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90947	3.0
51.69222	2.4
53.36320	2.8
59.01378	100.0
61.98825	4.2
65.40134	3.3
71.01366	12.4
72.53098	3.4
73.02931	25.9
81.84827	3.3
83.01364	4.5
85.02921	3.5
89.02419	3.9
93.78563	2.8
100.29633	3.2
101.02432	16.6
113.02417	6.3
142.33145	2.9
170.44073	3.3
244.07376	3.4
345.17578	3.4
440.20694	3.3
441.21280	4.9
485.26361	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	28.9
59.01375	50.8
71.01374	22.2
73.02926	3.9
75.78072	2.4
81.78426	2.2
85.02926	3.3
87.00857	43.7
89.02427	37.4
96.96024	3.5
99.04499	29.7
101.02425	64.5
113.02410	18.7
119.03481	16.8
125.02452	17.8
143.03477	8.8
161.04581	4.1
179.05566	8.9
323.09796	23.3
341.10825	21.6
383.11996	2.9
389.46747	2.1
441.16064	8.5
485.15112	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	485.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99566	1.2
59.01381	39.2
71.01373	24.8
71.29202	1.1
72.46487	1.2
73.02932	6.4
76.06229	1.2
85.02928	8.2
87.00869	8.9
89.02435	30.8
95.01318	1.6
96.95995	7.4
99.00867	1.6
101.02431	30.8
113.02440	20.0
114.20367	1.3
119.03471	12.0
131.03479	21.2
143.03488	2.5
143.07086	1.7
159.02992	2.8
161.04552	27.0
179.05617	5.1
206.34087	1.4
206.55109	1.4
221.06659	25.7
248.11662	7.4
263.07675	2.5
263.13977	9.8
485.18811	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	485.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
65.48806	0.3
68.87412	0.3
70.20563	0.3
72.74080	0.3
79.95736	0.8
91.50326	0.4
96.95993	100.0
112.16786	0.3
124.01632	0.8
139.03993	5.0
140.93228	0.4
143.76764	0.4
226.69682	0.3
260.75836	0.3
299.62112	0.4
485.13864	0.3
511.58646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2932
Annotation	Novamethymycin
Peak:m/z	Relative Intensity
52.44902	1.1
53.66796	1.0
56.06060	1.0
58.02968	4.3
72.04567	1.1
78.95891	1.4
82.80975	1.1
91.05531	10.4
98.06078	5.3
118.06624	5.7
121.10244	1.2
121.30238	1.0
123.09198	1.0
129.10335	30.8
141.10342	1.8
144.68631	1.0
147.04523	10.8
152.99564	5.9
153.99937	1.1
154.09865	1.5
164.07127	2.2
171.12502	2.1
202.12366	7.1
248.49811	1.1
252.38490	1.1
282.36780	1.3
312.16171	4.3
380.38000	1.2
407.95068	1.2
432.22903	12.3
434.23813	1.7
442.27081	18.7
484.29358	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	484.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79329	3.0
58.11336	3.3
59.01376	74.9
63.70292	3.3
71.01372	63.6
73.02921	7.0
85.02924	19.6
87.00856	4.9
89.02427	59.7
95.98688	3.5
99.00832	4.3
101.02447	53.2
113.02438	37.9
119.03458	26.4
131.03494	8.6
135.04471	22.7
160.07654	4.4
161.04512	29.6
179.05597	8.0
181.30009	3.6
221.06706	25.5
223.94170	3.5
263.07782	5.6
322.13040	33.9
405.02795	3.9
443.37909	3.8
484.18103	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	484.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53498	1.0
59.01374	5.3
59.73609	0.9
62.70227	0.9
71.01372	1.6
81.03430	1.8
83.05009	4.4
87.00863	81.5
89.02419	2.4
93.03432	16.1
96.95989	5.0
101.02443	1.9
105.81316	1.2
111.04514	9.5
113.81564	1.1
121.02921	1.2
137.02426	24.8
155.03500	7.0
157.08662	2.2
161.04633	1.3
190.78029	1.4
199.06119	4.4
207.14236	1.5
229.35898	1.3
240.13489	7.0
243.05077	100.0
296.87183	1.2
484.18320	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	484.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
90.60094	0.6
92.19932	0.7
108.22091	0.6
129.30304	0.6
131.70795	0.6
196.65622	0.8
222.30807	0.6
225.72215	0.6
382.60251	0.7
460.67447	0.6
470.43402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.1
59.44159	1.5
61.02983	1.5
64.53686	1.8
71.01376	29.5
73.02946	13.8
73.99989	1.7
83.01363	3.9
85.02946	14.8
89.02430	6.4
97.02917	2.3
99.00853	8.2
101.02433	40.1
113.02437	23.2
117.93665	1.9
146.78145	1.9
159.02989	2.3
161.04532	13.0
174.97287	1.8
199.69080	1.6
247.58096	2.0
289.81912	1.9
291.18155	37.6
294.35312	1.8
423.22379	100.0
499.15836	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	483.26
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2',6'-O-diacetate
Peak:m/z	Relative Intensity
50.24037	0.6
52.13251	0.6
55.79423	0.6
59.01376	100.0
61.99823	0.7
72.74839	0.8
78.95922	0.9
79.73561	0.9
82.28026	0.7
86.00374	0.8
95.44547	0.8
111.00887	1.7
121.11794	0.9
123.14518	0.7
124.81808	0.9
275.31610	0.7
400.04080	1.0
483.26123	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	483.2729
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
50.60676	0.3
52.47947	0.3
63.06266	0.3
71.48530	0.3
78.95899	2.8
92.19394	0.4
95.12580	0.4
143.10919	0.4
152.99561	10.2
171.00641	0.7
227.03140	0.7
245.04346	0.7
249.68689	0.4
255.23282	100.0
280.94397	0.5
393.52332	0.5
446.51169	0.4
483.27283	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62063	0.8
57.03436	1.2
59.01377	98.5
67.74326	0.9
118.77093	1.0
135.08205	1.2
137.09627	1.8
139.82753	1.0
160.00360	0.9
160.08917	4.6
163.07738	1.0
177.12836	6.5
189.12859	18.2
196.53409	1.0
201.12820	10.5
204.11522	4.5
211.04561	1.4
219.13889	100.0
283.42380	1.1
295.36719	1.0
483.22360	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	483.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34628	1.0
57.03444	1.5
59.01380	15.9
60.43218	1.0
66.16726	1.0
71.01374	21.5
72.99297	1.7
73.02936	5.5
74.66145	1.3
74.72611	1.1
75.00862	25.8
78.31593	1.0
83.01350	1.8
85.02930	32.5
87.00859	8.1
89.02442	6.0
95.01360	2.4
95.47365	1.0
96.96026	9.2
99.00850	11.6
101.02415	10.2
113.02427	28.8
115.00397	2.2
117.01980	1.3
135.04535	6.0
157.56914	1.2
205.11986	7.1
253.40797	1.5
283.78546	1.2
307.17532	1.5
483.20947	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	483.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91439	1.7
50.97507	1.7
59.01374	100.0
71.01388	14.3
73.02940	8.3
78.85920	2.2
78.95889	2.3
83.01346	2.7
85.02953	4.3
89.02419	4.8
91.05516	3.4
101.02425	14.4
113.02408	3.4
118.06590	4.8
131.03517	2.5
137.48062	1.9
152.99588	3.8
160.08865	2.5
189.12881	23.8
201.12790	12.2
204.11545	2.6
219.13893	95.1
314.44229	2.2
338.20251	2.1
423.22360	40.7
433.23254	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91421	2.0
53.92935	1.7
59.01379	2.3
59.63620	1.9
66.13059	1.5
71.01354	1.8
87.49171	1.9
89.76472	1.7
105.43304	1.8
138.98604	1.8
212.09673	1.9
215.78973	2.3
285.16092	100.0
300.26114	2.4
364.00348	2.1
483.18878	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	483.2009
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
59.01375	43.0
71.01352	11.7
80.76547	5.1
96.95999	9.5
97.52110	4.6
101.02438	26.2
113.02416	6.9
145.06148	8.0
145.44772	5.3
150.71159	4.9
159.10312	6.3
185.31204	5.3
244.43727	5.1
320.48099	5.3
399.42126	5.6
423.22293	21.1
470.44580	5.6
483.19650	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	483.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53787	1.0
55.01893	1.6
55.69917	1.1
57.03467	1.2
59.01379	82.5
71.01374	49.1
73.02938	18.6
73.46039	1.2
78.73901	1.0
78.99671	1.6
80.93993	1.1
83.01402	11.5
85.02943	26.5
87.00879	2.9
88.04384	1.2
89.02435	14.2
95.01375	6.2
96.95988	1.6
97.02963	1.9
99.00869	8.6
101.02430	70.1
113.02448	27.9
115.07626	2.2
117.09157	1.6
117.33616	1.2
119.03471	1.8
125.02426	4.9
129.01918	1.4
143.03496	2.3
149.05014	1.3
159.02968	6.9
161.04558	18.8
163.40176	1.5
279.14487	25.2
321.15555	20.3
399.92935	1.8
441.19797	38.3
483.20850	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	483.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68230	1.4
56.33969	1.3
59.01085	2.8
59.01377	76.5
61.10920	1.6
62.97755	1.6
64.32954	2.0
71.01378	45.1
73.02932	13.4
73.42847	1.9
75.00861	3.5
83.01369	9.3
85.02934	25.2
87.00877	2.0
89.02431	14.0
90.18657	1.5
95.01360	6.0
96.95980	6.9
97.02929	2.1
97.82516	1.7
99.00861	7.2
101.02428	56.0
113.02411	24.4
119.03497	2.6
120.99628	12.9
125.02389	3.3
131.03464	2.1
159.02930	2.4
161.04558	14.0
248.41780	1.8
256.25723	1.8
279.14566	12.8
321.15652	15.9
334.73294	1.7
340.44833	1.8
348.77792	1.8
437.20364	7.8
441.19794	32.6
483.20917	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	483.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48152	1.6
58.36525	1.3
59.27242	1.5
67.12008	1.5
88.98825	2.3
98.17558	1.6
98.50388	1.5
104.71218	1.8
105.20020	1.7
123.33678	2.1
197.02188	2.1
285.16089	100.0
329.43747	1.9
391.17767	1.7
483.19275	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	483.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68685	0.8
55.01851	1.0
59.01377	71.7
69.61156	0.7
71.01376	26.4
71.01763	1.7
73.02934	56.1
83.01385	11.1
85.02934	4.6
88.13410	0.8
89.02428	15.5
89.57399	0.7
95.01369	1.2
97.02932	1.4
99.00837	1.1
101.02429	40.1
109.02916	5.7
113.02418	11.1
119.03455	4.8
123.04388	0.9
133.06580	12.1
137.06015	3.5
139.07632	15.2
143.03389	1.4
149.06035	1.0
150.06824	1.0
151.07613	1.3
161.04515	4.1
163.96605	0.9
190.09866	0.8
202.09959	1.6
202.43393	0.9
204.11575	0.9
205.12331	5.7
215.16083	0.9
217.12257	3.9
261.11572	1.0
274.28705	0.9
313.12866	5.9
331.13913	3.8
372.14185	12.1
373.14981	5.0
397.19055	1.7
439.19461	1.4
483.18689	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	483.187
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
57.03428	1.3
58.96184	1.1
59.01381	65.3
60.93687	1.1
62.40685	1.1
70.88543	1.2
71.01375	21.8
73.02937	50.0
73.34075	1.1
82.40474	1.1
83.01369	10.1
83.25794	1.2
85.02914	4.6
87.00824	1.6
89.02431	17.4
90.81934	1.1
99.00852	1.4
99.69479	1.2
101.01803	2.0
101.02428	33.7
109.02897	6.5
113.02425	13.6
119.03453	4.6
125.02414	1.4
131.03453	2.0
133.06555	11.5
136.65176	1.2
137.06030	2.5
139.07632	12.9
143.03439	1.4
149.05969	1.8
151.07713	1.2
161.04420	1.9
205.12331	2.8
217.12225	2.6
220.45847	1.2
313.13107	2.7
331.13855	5.4
372.14212	13.6
373.14719	5.3
483.18488	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	483.172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79935	1.7
59.01374	42.9
62.74134	1.8
71.01376	30.4
73.02930	10.1
74.03742	2.2
75.00865	3.7
83.01366	2.3
85.02934	13.8
87.00863	49.3
89.02429	41.2
96.95993	21.0
99.00877	2.4
99.04502	100.0
101.02422	68.4
101.03085	2.5
104.36252	2.1
113.02413	18.9
119.03471	17.7
133.45331	2.1
143.03467	9.7
161.04549	3.7
166.69987	2.3
179.05551	8.3
323.06128	3.7
323.09845	85.7
341.10922	20.6
423.15054	64.6
441.19904	2.2
483.21146	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	482.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34645	3.8
61.98832	4.9
74.58636	4.3
80.89494	3.8
111.55360	4.9
136.04071	5.3
148.04031	6.4
150.01933	30.8
150.87834	4.0
162.01947	19.6
163.02684	9.7
168.18256	3.9
199.37790	4.1
205.15919	10.2
268.10986	4.1
269.10910	5.0
270.59564	5.5
282.11569	4.8
293.88226	5.2
304.25803	4.6
324.15393	4.5
338.17413	5.3
340.19101	34.6
367.18286	13.9
368.18466	59.5
482.26660	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	482.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80388	1.3
61.41929	1.3
70.05324	1.3
76.58495	1.6
78.95891	2.6
86.27386	1.6
91.05538	11.3
96.14299	1.5
105.79315	1.4
118.06607	23.9
147.04520	9.1
200.10797	5.9
218.62932	1.5
284.17627	7.0
388.23938	7.8
388.33517	1.8
432.22943	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	482.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43505	1.6
53.59843	1.2
61.95280	1.4
61.96491	1.3
91.05542	10.1
95.03738	1.7
96.04559	1.8
114.04403	1.4
118.06623	25.6
136.37480	1.5
147.04500	9.4
164.07205	2.1
174.91020	1.7
216.87704	1.4
221.51778	1.3
284.17737	7.8
296.17590	1.5
323.89224	1.4
353.27014	1.6
367.93622	1.7
388.23859	8.7
432.16898	3.2
432.22903	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	482.222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66103	1.2
59.46178	1.3
91.05530	14.5
96.04543	2.4
102.38117	1.4
103.28779	1.6
110.45023	1.7
113.52986	1.5
113.74082	1.6
118.06614	29.5
137.26733	1.6
147.04517	7.8
164.07172	3.0
195.19443	1.6
200.10831	3.6
200.58556	2.0
264.48151	2.1
271.63696	1.7
284.17590	7.4
296.17673	2.7
388.23996	11.9
432.22934	100.0
472.44257	2.1
482.18787	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	482.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28420	0.9
59.01380	22.4
61.98825	100.0
69.30756	1.0
71.01369	5.9
73.02925	15.0
83.01356	2.2
85.02938	5.4
86.72881	1.1
89.02399	1.8
101.02438	12.8
113.02421	6.2
119.43676	1.1
133.00024	1.0
143.03461	1.1
146.95351	1.1
149.04536	2.3
161.04538	5.7
163.03914	1.2
164.04655	1.4
165.52553	1.0
221.06728	1.6
247.62418	1.1
382.09686	1.1
464.16309	2.1
479.63513	1.1
482.17435	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	482.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03065	0.5
52.95868	0.6
63.30452	0.5
64.06158	0.5
79.53681	0.7
80.96498	1.5
86.87006	0.6
93.82600	0.6
118.57061	0.7
120.29620	0.6
123.38107	0.7
145.77829	0.7
161.02415	4.9
230.85422	0.7
240.98163	5.1
242.99669	0.8
286.05209	0.7
402.23871	3.8
422.45450	0.7
440.18637	31.5
482.19666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62980	1.2
58.81998	1.2
60.17901	1.1
61.39758	1.3
69.88950	1.1
78.95893	14.0
87.88222	1.3
98.47691	1.5
121.57289	1.7
142.20943	1.6
152.99571	62.7
171.00587	19.1
227.03412	1.4
245.04288	66.3
253.21718	27.5
407.65967	1.4
481.25717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92027	0.8
59.01376	100.0
62.35060	0.8
63.56424	0.7
63.65686	0.9
81.85789	0.9
83.62100	0.9
125.09632	0.9
185.13989	0.9
224.62624	1.1
233.64204	1.0
288.12280	0.9
345.25873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05826	2.6
55.01870	4.8
57.03441	3.4
58.73408	2.7
59.01377	82.2
61.98121	2.6
71.01375	59.5
73.02939	29.2
73.58328	2.8
83.01373	13.1
85.02939	37.1
89.02431	15.6
92.19291	8.2
95.01331	4.7
99.00880	6.4
101.02429	64.8
104.62653	3.5
107.00594	3.1
111.02351	3.2
113.02425	44.2
116.20765	2.8
118.26494	3.4
137.58469	2.8
159.02954	6.6
161.04509	14.6
275.16568	16.3
277.16519	13.3
439.21805	53.3
481.22748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.8
59.51379	1.9
60.59018	2.0
61.66261	2.1
69.36167	2.0
71.01376	47.2
71.49969	2.4
73.02917	19.6
83.01367	8.7
84.73404	2.1
85.02950	27.8
85.99955	2.2
88.72074	2.1
89.02421	5.6
90.87379	2.5
95.01338	2.8
99.00884	4.7
101.02435	43.3
109.20882	2.3
109.35536	2.7
113.02431	23.0
115.49466	2.2
125.02329	2.7
134.99753	2.4
142.37032	2.2
148.79597	2.2
159.02940	2.8
161.04547	13.4
173.69513	2.3
289.16556	42.1
304.20511	2.4
421.20840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01846	1.9
53.22466	1.6
55.01860	2.7
57.03438	2.4
59.01373	100.0
62.98506	2.1
68.51712	1.8
71.01369	47.9
72.65378	2.1
73.02933	27.2
75.00847	2.8
83.01373	9.4
85.02934	29.4
87.00885	6.8
89.02425	12.8
91.03381	1.9
92.19923	3.9
95.01369	3.8
97.02920	2.9
99.00867	4.3
101.02428	63.2
113.02435	33.9
125.02413	2.8
127.13026	2.2
137.91682	2.4
161.04570	14.5
277.16528	21.5
421.20871	45.2
425.89008	2.6
439.21866	63.2
481.23151	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	481.208
Annotation	Excavatolide M
Peak:m/z	Relative Intensity
57.97543	1.1
59.01377	100.0
83.19801	0.9
85.02938	1.9
88.83932	0.9
101.02389	1.5
137.01094	1.0
156.74629	1.0
170.83780	1.0
174.88940	1.0
180.20354	1.1
198.97081	1.0
201.84804	0.9
308.13080	0.9
421.19269	1.5
481.20868	1.3
503.91898	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2215
Annotation	Dulciol C
Peak:m/z	Relative Intensity
70.65232	4.1
74.38073	4.6
78.95900	100.0
79.10282	4.1
87.00747	3.7
91.65883	3.9
96.96925	5.3
117.92878	3.9
152.99568	77.0
158.85220	4.0
171.00652	20.2
181.10071	4.8
185.37425	4.5
366.71808	4.5
374.26285	4.4
481.22104	91.0
481.28879	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	481.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03443	2.0
59.01379	16.0
71.01373	20.3
72.99318	4.5
73.02910	4.4
75.00867	18.2
81.34477	1.0
83.01395	2.1
85.02943	29.7
85.85226	1.1
87.00867	6.9
89.02422	5.9
89.86169	1.0
90.78836	1.2
93.03445	1.4
95.01365	4.8
95.94408	1.1
99.00862	7.9
101.02436	10.0
111.00864	1.1
113.02431	30.8
149.06061	1.3
150.60431	1.2
210.51360	1.5
274.65012	1.2
481.19272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99095	1.8
59.01374	25.9
59.03098	1.5
59.29394	2.0
67.59817	1.7
71.01364	27.5
72.99320	2.3
73.02947	3.2
75.00874	22.3
83.01389	2.0
85.02933	26.3
87.00860	9.3
88.53548	2.1
89.02425	14.4
93.40343	1.9
96.95995	25.2
99.00881	7.9
101.02435	12.4
111.00866	2.3
113.02428	34.2
115.00328	2.0
117.01865	2.3
119.03477	2.5
149.09702	3.0
151.07579	2.5
193.08780	2.4
224.17491	2.5
237.07768	3.0
265.10849	2.3
267.16409	2.1
317.99860	2.1
391.94391	2.1
481.19485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1848
Annotation	Sphenalactone B
Peak:m/z	Relative Intensity
53.27742	3.4
59.01374	16.4
64.31369	3.6
66.09985	3.9
69.32287	3.3
71.01376	27.9
73.02947	15.1
85.02959	6.2
101.02422	22.6
113.02444	14.0
131.06494	4.2
153.49680	3.8
161.04576	5.5
170.55894	3.7
177.80223	4.2
178.98468	4.0
289.16409	5.1
352.46298	4.1
421.20847	63.0
437.32645	4.6
481.18494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40461	1.0
55.01888	1.3
56.90980	1.1
59.01381	33.8
63.65982	1.2
71.01376	33.0
73.02939	12.7
82.92223	1.1
83.01371	7.1
85.02936	17.0
87.00854	2.4
89.02445	14.0
95.01376	2.1
96.95991	8.7
97.02882	1.4
99.00871	2.9
101.01794	2.2
101.02428	40.2
108.64709	1.1
113.02443	22.3
119.03458	5.4
131.03412	2.1
139.03979	6.8
141.54137	1.2
149.61354	1.3
156.15096	1.3
157.08681	1.9
161.04546	9.3
161.15556	1.4
221.06711	1.9
275.15091	1.4
282.14273	1.5
319.14005	2.7
439.18259	2.4
481.19208	100.0
489.50931	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	480.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93349	0.4
78.95905	10.3
79.50573	0.5
131.39096	0.6
143.58618	0.5
152.99541	1.2
168.04332	3.7
187.22444	0.5
224.06924	6.7
242.08182	0.6
255.23289	100.0
287.50092	0.5
327.00031	0.5
414.40128	0.5
439.82230	0.7
477.61755	0.5
480.30966	43.2
486.10492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81629	1.4
59.01367	3.7
60.33387	1.4
71.01375	2.2
101.02462	2.1
110.68244	1.5
121.67578	1.5
123.91705	1.5
237.67966	1.7
240.13602	1.9
241.05013	30.9
242.22459	1.6
256.04822	3.4
256.07394	76.6
271.09735	100.0
271.12680	3.4
304.67722	1.8
306.46997	1.6
308.32977	1.7
319.11798	35.4
323.70847	2.2
349.01724	1.7
358.35248	1.6
439.75479	1.7
481.18933	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	480.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	1.1
72.09557	0.9
78.40275	1.0
82.23892	1.3
94.46239	1.1
96.34641	1.0
118.06645	1.3
125.07087	1.1
147.04512	10.3
164.07156	23.0
166.53395	1.2
169.35072	1.0
176.07188	1.9
180.04416	1.1
190.08745	1.7
201.10408	4.7
219.11340	6.8
235.14503	5.3
245.10336	1.7
259.14432	1.1
310.12558	1.2
314.18619	1.3
340.71152	1.1
348.81165	1.3
462.23810	1.9
480.25031	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	480.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21631	0.8
61.98827	100.0
67.34510	0.8
69.65294	0.7
96.95967	3.6
120.25880	0.8
161.78775	0.8
223.69453	0.8
242.18442	0.8
247.36356	0.9
336.10004	0.8
376.47330	1.1
459.40079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02716	0.8
64.05298	0.9
80.26827	1.1
85.14078	1.1
92.19993	1.4
97.05289	1.6
111.86972	1.1
118.06577	2.1
119.63841	1.2
147.04517	7.1
148.76062	1.0
164.07155	17.8
176.07149	1.1
186.09261	1.1
190.08801	1.3
192.12584	1.7
201.10297	1.8
219.11377	4.8
235.14473	6.6
265.31674	0.8
274.47003	1.1
301.30157	1.0
342.91681	1.2
378.22427	1.0
480.25040	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	480.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69430	0.6
59.01382	0.9
61.98827	100.0
64.83585	0.5
71.01380	0.9
81.74191	0.6
93.52774	0.6
96.96005	11.3
127.35252	0.6
160.09691	1.2
206.54326	0.6
242.82179	0.6
260.89041	0.7
420.22110	0.8
436.18292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	43.9
68.40378	4.3
83.47702	4.7
94.28497	6.8
95.95937	4.9
101.63274	4.7
145.02945	60.7
163.04007	6.9
183.16386	4.7
227.74739	6.0
286.64429	5.4
301.21368	5.0
306.49582	5.2
328.96887	5.6
343.22748	31.8
343.84601	5.9
345.20630	100.0
350.23300	4.9
369.20627	51.5
405.23270	6.2
461.25372	23.7
479.26593	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3374
Annotation	24-epi-brassinolide
Peak:m/z	Relative Intensity
50.00216	1.2
58.62422	1.4
61.74135	1.5
72.52666	1.9
101.06102	1.6
101.69495	1.5
114.40446	1.5
116.92829	1.9
152.99493	2.2
279.88556	1.7
291.54269	1.6
358.07739	1.8
461.32886	28.6
479.33807	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	480.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46864	0.5
62.18138	0.5
72.00893	9.6
73.21729	0.5
80.48036	0.5
83.76998	0.6
88.03314	0.6
96.95992	12.8
98.95573	3.7
103.92014	0.9
118.71366	0.6
147.03333	1.1
147.04507	39.1
164.07155	100.0
204.43793	0.7
212.09944	0.5
308.78995	0.6
338.83588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2649
Annotation	Virescenoside P
Peak:m/z	Relative Intensity
55.49365	2.0
57.83523	2.1
59.01378	46.2
59.59750	2.2
77.68933	2.4
91.03970	3.9
99.28765	2.5
119.04999	4.6
145.02937	85.7
163.04015	10.8
220.03108	2.2
253.44389	2.3
296.33835	2.7
325.21652	9.9
326.41797	2.3
343.22772	34.6
345.20700	100.0
369.20663	30.9
387.21594	3.6
405.22687	5.0
461.25424	32.1
476.38440	2.1
479.26447	68.8
488.81772	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	479.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79936	1.2
59.01377	100.0
59.12627	1.3
62.13798	1.1
64.04089	1.3
66.39764	1.1
80.41291	1.2
87.04496	2.6
104.60114	1.2
109.26836	1.4
141.00739	1.2
202.27725	1.5
216.40916	1.3
255.86136	1.2
308.94748	1.5
464.74063	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	479.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90455	0.5
59.01377	100.0
60.63759	0.5
65.72012	0.6
67.93354	0.5
77.05559	0.6
85.02927	0.7
87.00874	1.1
87.04506	7.6
100.87235	0.5
107.11050	0.6
121.02853	0.6
121.70644	0.5
225.14659	0.7
226.68394	0.6
243.19620	9.6
253.09262	0.9
479.18921	3.8
479.33704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86701	0.8
53.98673	0.6
59.01379	9.4
64.06061	0.6
71.01381	5.5
71.04981	1.1
73.02930	0.7
85.02930	2.9
86.71209	0.8
87.00848	0.9
89.02435	5.2
97.02950	0.9
99.00257	1.4
99.00867	19.5
101.02436	7.4
109.06521	0.7
113.02399	3.1
119.03455	1.0
125.09702	5.2
143.03517	0.9
143.88799	0.8
153.12807	0.8
161.04562	1.7
163.11290	10.1
165.05534	1.4
169.18323	0.7
171.10207	1.7
181.10832	1.3
181.12334	25.6
182.06122	0.7
199.13397	19.3
207.10268	33.0
225.11311	69.3
243.09880	1.3
243.12354	34.1
250.43341	0.8
253.09258	1.6
273.36444	0.8
479.21347	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	83.1
71.01373	50.8
73.02946	8.3
84.09852	2.0
85.02929	9.9
89.02433	100.0
101.02436	36.2
108.27391	2.1
113.02412	17.0
119.03448	14.0
125.02442	2.0
131.03514	21.2
131.50859	2.1
149.04532	39.7
164.04997	2.2
164.40213	1.8
179.05634	3.6
191.05624	8.9
216.12804	1.7
419.19260	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21259	1.3
59.01378	15.3
68.39236	1.4
69.50111	1.5
71.01357	3.1
75.81694	1.3
82.91441	1.3
87.00867	2.5
89.02431	5.5
99.00870	31.2
101.02421	6.0
113.02414	1.8
125.09703	2.3
129.01926	1.5
163.11235	2.1
171.10226	2.4
181.12340	17.5
199.13451	17.2
207.10262	19.2
224.88194	1.3
225.11319	75.8
243.09918	1.8
243.12361	50.7
425.52533	1.5
435.21588	2.3
479.21198	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	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.2
59.01377	24.7
65.08400	0.8
69.03413	1.1
71.01363	23.3
72.99313	3.7
73.02937	4.0
75.00860	23.3
78.28499	0.9
83.01363	2.1
85.02937	30.8
87.00858	8.5
89.02428	9.4
95.01363	3.7
97.02954	1.4
99.00852	6.2
101.02451	7.6
103.00371	1.2
112.92445	0.9
113.02438	28.7
115.00368	1.8
117.01920	1.7
151.97157	1.1
173.04556	3.7
277.17416	1.0
353.98761	1.1
361.19049	1.2
461.14786	2.1
479.21304	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	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72306	1.4
59.01377	15.0
70.53595	1.5
71.01368	3.2
73.88299	1.6
75.28255	1.6
81.20910	1.6
87.00861	2.1
89.02421	7.5
96.68198	1.7
99.00862	25.0
101.02396	3.4
113.02408	2.1
125.09695	3.8
137.02371	7.6
163.11243	6.6
165.14825	1.7
181.12332	16.7
186.12575	2.4
199.13391	3.8
207.10297	28.1
213.14861	2.1
220.80962	1.8
223.13376	2.1
225.11317	65.2
231.15973	6.5
243.10222	2.6
243.12367	46.0
267.99008	2.0
358.24908	1.8
375.20343	2.2
393.21167	4.1
435.22382	20.5
478.59793	2.1
479.21225	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	479.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88287	1.4
59.01376	13.2
59.46899	1.2
71.01357	3.1
73.97036	1.2
77.72792	1.4
78.11447	1.2
85.02912	3.3
89.02422	5.5
92.19900	1.6
95.43044	1.4
99.00868	20.6
101.02420	7.1
125.09666	5.2
137.02412	2.5
163.11238	6.3
165.05511	2.9
173.77792	1.4
181.12360	26.9
199.13420	23.4
207.10254	36.3
223.06047	1.5
225.11314	69.4
243.12352	35.0
393.21518	1.6
397.36893	1.3
435.22433	5.1
479.21265	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	479.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.7
57.03443	2.9
59.01377	22.0
62.71209	0.7
63.99540	0.7
70.46589	0.6
71.01373	23.6
72.99291	4.3
73.02929	5.0
75.00860	24.2
83.01382	3.8
85.02943	27.5
87.00832	7.8
89.02437	10.4
95.01360	3.3
97.02956	2.8
99.00857	10.2
101.02435	6.9
103.00399	0.7
111.00877	1.1
113.02434	26.9
115.00323	1.7
119.03460	1.5
124.98081	0.7
131.03468	4.7
173.04533	4.5
287.09067	0.9
409.41547	0.8
479.17740	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	479.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84845	0.7
52.56543	0.6
59.01377	6.2
65.06986	0.6
69.36792	0.7
71.01382	3.1
71.86910	0.6
77.64895	0.8
88.86387	0.7
89.02432	4.5
91.10788	0.7
92.19949	1.1
92.91897	0.7
93.03448	0.8
96.95996	5.9
101.02435	3.7
104.85031	0.8
111.00886	0.9
113.02440	1.1
115.69083	0.9
119.03561	0.7
120.99649	2.5
125.02485	1.7
137.02455	1.7
139.00359	9.3
140.01143	75.4
141.01874	0.8
146.08238	0.9
153.01942	1.2
154.02693	6.2
155.03487	100.0
162.69153	0.7
165.01967	0.8
179.05571	1.1
180.04257	1.2
182.01964	0.7
195.06642	6.6
218.14905	0.7
323.09995	5.0
381.15912	2.7
446.17374	0.9
479.14035	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97152	1.0
56.53146	0.9
58.02991	2.5
59.01360	2.6
60.46668	1.1
82.02955	1.3
87.05622	18.6
110.02457	2.5
111.05642	4.1
112.03982	1.4
127.05128	2.0
129.06691	48.6
144.07788	9.8
148.04387	23.1
152.03572	2.5
161.07533	1.4
168.07756	2.6
170.02849	1.4
177.05531	2.4
178.02707	4.2
181.15439	1.1
184.10860	5.0
185.07359	1.2
186.08769	1.6
187.05411	1.2
187.09047	4.3
193.05087	2.4
194.26366	1.1
199.05432	6.0
213.07034	1.9
213.60263	1.2
214.07706	1.4
215.08516	2.0
223.37325	1.3
231.08012	4.9
232.11230	4.6
244.11244	9.9
249.13617	2.0
261.07224	2.0
279.08414	8.5
292.11621	8.3
315.14981	2.6
317.12851	1.3
345.84647	1.3
350.48679	1.3
363.15298	5.5
419.13513	1.6
449.15375	30.2
461.15265	2.4
479.16339	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	478.2939
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
64.24332	4.8
76.56674	5.7
81.03994	5.8
83.04695	5.7
105.25746	5.6
134.76433	6.1
169.27850	6.2
281.24829	100.0
284.12335	8.0
478.29248	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	479.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33818	8.2
73.33913	7.8
75.03683	8.6
82.60240	7.7
96.95973	11.6
99.15331	9.5
107.04980	16.5
123.51788	10.8
133.06590	13.1
143.83696	10.3
149.06088	20.6
166.77434	10.7
177.05550	44.7
179.03442	83.0
193.82373	8.2
219.59204	8.4
239.05550	100.0
286.89432	11.7
297.78769	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	478.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57533	0.9
54.00283	0.8
59.91006	1.0
67.49729	1.0
69.03438	1.1
71.01396	1.2
73.01151	1.4
75.00832	1.3
85.01166	2.3
95.04991	1.1
97.06523	1.1
109.06551	4.1
111.08118	1.5
119.24827	1.2
135.08098	1.2
139.07602	4.6
148.99461	1.0
150.03217	1.3
161.09721	1.5
165.05498	2.2
173.08183	27.3
173.09612	2.1
195.08455	2.5
203.09209	18.0
207.10271	2.1
225.11317	1.1
241.09073	10.4
243.12433	2.1
259.09982	1.3
277.11145	35.0
303.12585	1.2
339.18082	2.1
357.19183	7.5
373.16818	3.9
374.48969	1.1
391.17966	9.9
478.13815	5.1
478.21124	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	478.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47320	0.2
53.36662	0.2
62.42315	0.2
79.95742	0.6
96.95992	100.0
97.72958	0.3
106.91976	0.3
129.74333	0.3
146.08232	1.3
162.67780	0.3
199.01031	0.3
209.91899	0.3
236.28632	0.3
380.15778	2.3
478.12744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65362	0.7
57.03469	1.1
66.62708	0.8
71.01344	1.3
71.04997	1.0
73.01139	2.0
85.02951	6.2
96.66747	0.8
97.06553	1.2
107.04987	4.2
107.58767	0.9
109.06556	5.1
113.04302	3.1
121.06431	1.0
125.06033	1.4
127.07639	6.8
131.05367	8.4
139.07581	1.1
149.09825	0.8
150.03130	0.9
165.05574	1.2
165.09154	1.0
173.08168	100.0
203.09235	5.6
241.10840	2.0
261.13339	3.6
263.09421	0.8
277.11121	1.9
313.38116	1.0
321.17096	1.1
357.19009	0.9
373.16779	1.5
391.18277	5.7
438.33109	0.8
478.13855	3.3
478.21143	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3221
Annotation	Dolicholide
Peak:m/z	Relative Intensity
53.52302	1.6
53.97668	1.9
55.28482	1.6
65.28519	1.6
87.05733	1.9
133.02939	25.2
134.03743	4.4
145.62593	1.9
145.83414	2.1
157.69257	2.0
162.03180	2.1
177.01894	11.5
178.02705	4.5
219.21622	1.9
277.68372	2.0
299.25812	2.1
365.50272	2.0
375.21793	11.5
445.30283	2.4
462.29941	50.5
477.32242	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	478.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77245	0.3
58.28502	0.4
58.81808	0.3
68.93687	0.4
77.43057	0.4
79.95723	0.7
88.04029	2.8
90.26109	0.4
94.28851	0.4
95.62047	0.4
96.95995	100.0
146.08249	3.2
150.63423	0.5
160.70761	0.4
232.46605	0.5
270.54953	0.5
380.15674	4.8
423.20749	0.5
428.52786	0.6
473.02707	0.4
478.12717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.3
68.66200	2.9
73.31122	2.9
90.87086	3.3
92.19324	3.0
93.53734	3.5
126.98017	3.2
133.02942	41.0
134.16547	2.9
149.20682	3.0
163.85002	2.9
175.04060	3.7
177.01913	16.7
193.05029	4.1
263.27551	3.1
277.10751	4.0
343.68283	3.0
370.21628	3.5
411.78201	3.9
462.29868	60.2
477.32214	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	477.307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83667	1.3
59.01374	100.0
62.22330	1.4
63.96693	1.3
67.12177	1.3
79.95751	1.7
91.03982	9.5
116.73779	1.6
171.10252	18.4
209.29231	1.5
343.24887	60.3
354.08749	1.6
375.76425	1.6
491.84576	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	477.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.60755	7.9
60.62629	8.4
65.70933	7.8
91.52673	9.1
105.91821	9.5
343.24884	65.9
388.65964	9.4
477.24237	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	477.3223
Annotation	Dolicholide
Peak:m/z	Relative Intensity
65.94461	0.8
65.94846	0.7
73.26588	0.9
78.66624	1.2
92.19904	1.1
97.79542	0.9
105.03452	1.6
132.85902	0.9
133.02942	55.0
133.77463	0.9
134.03723	6.7
136.03258	0.9
148.05302	1.8
151.03961	1.1
160.01657	4.2
162.03258	1.2
172.35788	0.9
175.03993	9.4
177.01929	32.7
178.02692	7.4
180.49762	1.0
192.04274	1.3
193.05032	6.4
231.71262	1.2
292.69797	1.0
407.94156	1.1
462.29843	44.0
477.32220	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	477.2495
Annotation	Pharboside G
Peak:m/z	Relative Intensity
55.05158	3.6
66.12408	3.4
70.61789	3.8
79.13059	3.5
83.27068	3.7
107.58543	3.8
129.28331	3.6
148.91924	3.9
196.45169	3.8
261.04489	4.1
275.68161	4.1
304.85309	4.8
314.18832	6.4
315.19687	100.0
477.24991	47.5
477.35754	17.4
483.30170	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	477.2705
Annotation	Terragine D
Peak:m/z	Relative Intensity
57.03417	1.0
59.01376	100.0
68.25660	1.0
69.03429	1.1
71.01374	25.0
71.28131	1.0
71.35600	0.9
72.87781	0.9
73.02930	7.8
75.07196	1.1
83.01379	2.5
85.02937	13.9
87.00867	1.9
89.02420	10.7
93.11796	1.0
95.01390	2.1
99.00890	1.4
99.04534	1.3
101.02412	19.6
102.98581	4.5
112.16103	1.0
113.02425	16.8
117.05531	8.5
117.39684	1.2
119.03461	4.9
143.03436	1.4
149.84154	1.1
161.04526	4.4
179.05594	1.5
273.20734	1.3
333.14130	1.1
381.21167	1.1
417.24963	64.6
435.26007	11.2
477.26883	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	477.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.7
64.83767	6.0
76.00887	5.6
81.87270	5.8
82.58180	7.4
85.18519	6.2
93.15070	5.9
96.56574	6.4
114.19122	6.9
134.03758	48.5
149.06049	14.5
170.27390	6.1
178.02751	63.8
193.05066	100.0
316.00952	6.7
359.37881	7.1
390.29965	6.3
477.28244	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.98312	2.1
63.10350	1.9
71.01363	13.4
73.02932	9.5
75.00861	2.2
82.73273	1.9
85.02937	4.0
87.04504	2.1
89.02436	4.6
92.19926	2.9
101.02430	11.1
102.98615	2.3
113.02435	10.0
119.03468	2.3
152.90222	2.3
205.87225	2.0
212.35509	2.1
217.14471	2.9
251.14354	2.4
320.04840	2.4
373.22269	20.7
373.26257	2.1
391.22971	3.6
391.27313	4.9
433.20053	5.9
433.28165	11.6
435.29633	10.0
477.30759	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	477.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	47.9
71.01372	31.0
73.02927	7.6
85.02942	15.2
89.02426	15.3
101.02436	27.6
113.02428	16.6
119.03456	6.1
125.03519	3.9
145.06149	6.1
161.04567	8.3
171.37100	3.3
219.13832	6.1
344.95483	3.8
357.87695	3.6
417.21298	100.0
417.26761	5.3
445.73163	4.3
450.77048	4.3
477.19806	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	477.2359
Annotation	Glu-Leu-Phe-Ala
Peak:m/z	Relative Intensity
55.01865	2.7
57.03439	3.8
59.01380	91.8
62.05815	2.2
71.01371	52.3
73.02934	21.5
76.81962	2.5
76.83448	3.0
80.75853	2.6
83.01390	12.6
85.02936	36.9
89.02427	21.6
93.01768	2.5
95.01385	3.5
96.47058	2.9
97.77377	2.6
99.00877	11.0
101.02434	50.0
112.28352	3.2
113.02453	31.3
113.15942	2.8
125.02408	16.5
159.02998	3.0
161.04530	11.7
187.02467	3.1
198.36946	2.9
315.18085	11.6
455.73431	2.8
477.23230	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	477.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
59.01381	48.5
69.54719	1.7
71.01372	34.5
73.02934	10.3
78.98361	2.0
79.00861	1.8
81.03438	2.2
85.02942	16.0
86.34393	1.8
88.81129	2.0
89.02458	17.6
92.19956	2.2
93.03417	2.4
99.00874	3.6
101.02431	29.0
101.03021	2.6
113.02454	15.5
121.68983	1.8
123.04482	25.8
135.04520	4.4
147.04517	30.5
151.11252	2.1
159.04446	3.6
161.04538	11.7
173.43983	1.9
179.05624	2.3
181.12366	3.9
189.12872	2.9
193.61363	1.7
201.12721	2.8
202.69414	1.8
219.13960	3.7
235.08160	7.2
253.08817	8.0
302.99570	1.8
417.21313	100.0
477.14044	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	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52533	0.5
57.03457	0.8
58.31696	0.5
59.01376	25.5
61.60101	0.5
67.48234	0.4
69.03441	0.8
69.66615	0.4
71.01369	6.8
71.05025	1.3
73.02943	3.6
75.00883	0.6
79.71499	0.5
83.01385	0.7
85.02946	2.6
87.00874	2.2
88.52962	0.5
89.02432	4.9
96.95995	1.1
101.02431	8.1
102.98596	0.6
111.00878	0.5
113.02463	4.6
115.04002	0.5
119.03476	1.1
119.61263	0.4
128.44510	0.6
151.00282	0.5
151.11331	0.8
153.12843	1.9
161.04549	0.8
161.09695	2.2
163.03996	0.9
179.10788	5.7
197.11826	100.0
218.54855	0.6
223.09583	0.9
241.10800	9.3
282.05536	0.5
303.16080	0.5
308.10492	0.5
347.17032	2.0
357.19180	0.8
417.25342	4.3
433.20844	4.7
435.25797	1.0
438.64276	0.6
477.19672	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49659	0.7
59.01379	100.0
59.28194	0.7
60.15418	0.7
64.21011	0.7
66.59843	0.8
68.02763	0.7
69.20602	0.8
88.21571	0.7
111.66857	1.0
117.02989	0.9
133.48386	0.8
135.02884	0.8
146.20641	1.0
314.40631	0.9
343.15942	0.9
501.61050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31572	1.1
59.01378	100.0
67.00836	1.2
70.63952	1.0
71.01353	9.2
73.02927	1.9
80.11881	1.1
83.10950	1.3
85.02962	2.4
89.02441	7.2
92.19949	1.9
97.25212	1.2
100.93333	4.9
101.02434	7.3
102.22321	1.1
102.93120	1.7
103.00345	9.2
113.02425	2.0
115.92059	1.8
116.92039	1.8
116.92838	27.5
117.91978	2.7
117.92840	14.8
118.92621	14.3
118.93394	2.0
119.03495	2.1
121.48240	1.6
128.30505	1.2
161.04590	1.6
182.15509	1.3
193.12347	5.0
213.28206	1.3
312.70554	1.3
330.34030	1.3
373.18689	8.4
391.19962	1.7
433.20627	7.8
459.08609	1.6
477.09595	15.6
480.67273	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	477.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01375	14.9
60.67439	0.7
62.82587	0.6
69.03429	0.9
70.58704	0.6
71.01376	6.9
73.02938	1.4
83.65292	0.6
85.02935	1.6
87.00858	1.0
87.35403	0.9
89.02443	6.9
101.02441	11.0
101.11404	0.7
108.69260	0.8
113.02409	4.2
115.04772	0.7
125.09655	1.5
149.25658	0.8
151.11287	1.5
153.12817	1.3
161.04506	1.5
161.09702	3.9
179.10852	6.1
180.04294	1.8
195.06569	0.8
197.11829	100.0
241.10797	7.1
253.09232	3.4
355.06418	0.9
417.25128	1.1
429.47098	0.9
477.19742	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.18
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31711	2.1
59.01380	34.7
69.03459	3.7
69.11642	2.1
69.21615	2.5
73.01162	5.6
73.02912	3.3
83.01366	3.0
87.02727	3.2
89.02436	2.3
107.51222	2.9
111.04505	4.3
113.06038	11.3
115.07607	3.9
128.09155	2.6
145.09804	11.5
147.04733	3.2
163.11256	4.7
173.08167	16.2
179.10757	2.6
193.90622	2.7
220.04915	2.7
241.08899	4.3
277.11191	29.0
321.39877	2.7
373.16858	10.5
391.18015	34.9
433.19019	100.0
433.30798	4.8
477.21094	3.2
477.28574	3.8
503.49991	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	477.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81096	4.3
59.01370	54.2
59.08485	4.8
61.38840	4.9
62.59031	5.5
67.16144	4.9
68.87295	4.6
81.21122	5.3
97.27534	6.7
103.61810	5.5
114.61111	6.2
164.04785	10.4
166.02663	52.2
169.25433	6.5
179.03462	6.9
179.27364	5.4
180.04314	10.7
181.05067	37.8
191.03508	7.0
192.04272	10.8
195.06575	6.3
206.05836	27.7
221.08250	11.3
308.06836	23.5
323.09247	54.4
338.11526	23.8
369.13474	35.1
372.12555	6.5
387.14667	100.0
417.15549	27.5
429.11630	9.9
461.35919	6.5
477.17722	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03761	0.5
59.01369	9.7
71.01369	0.6
71.14608	0.5
74.48150	0.5
93.03423	1.0
119.04987	2.8
121.02921	4.5
122.70613	0.6
123.04478	2.5
133.06532	0.7
145.02927	0.7
163.75650	0.6
165.05525	0.8
181.06610	0.7
197.06024	2.6
200.04478	0.7
209.06058	0.6
213.09245	0.8
221.06010	0.9
222.06909	0.6
223.07552	1.1
225.05551	5.2
225.09198	9.3
226.06352	27.7
237.09216	2.4
238.06329	12.6
240.07965	1.4
241.08716	8.4
243.06526	0.8
247.75038	0.6
251.03522	1.2
253.05104	7.6
253.08731	1.3
253.12315	1.2
254.05896	4.0
265.05066	2.3
266.05869	8.9
267.06781	2.5
267.10001	1.2
269.04587	5.8
270.05350	21.2
271.06253	0.8
279.06686	1.2
281.04556	6.3
282.05341	51.0
284.06989	7.2
285.07730	100.0
285.11212	12.4
297.07724	63.1
297.11301	6.4
315.08710	8.8
315.12393	29.4
477.13699	5.1
477.18417	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	477.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.5
59.13274	1.9
123.96442	2.3
137.02455	3.6
138.03201	4.2
164.04778	3.4
165.01910	27.2
166.02721	22.1
179.03528	27.9
180.04285	65.2
181.05019	18.9
191.03542	8.6
193.05078	3.3
194.05878	21.7
195.06625	100.0
205.05025	5.3
206.05853	33.4
207.06667	3.6
221.08186	16.9
278.21484	2.3
307.05725	2.4
323.09158	12.1
339.08661	5.1
369.09750	2.7
387.14523	60.5
417.15515	9.8
429.11938	3.1
444.60025	2.5
447.16565	12.1
467.10724	2.8
477.17679	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	13.5
62.60034	2.0
87.00856	51.9
88.66580	3.0
92.20024	4.8
130.63954	2.4
184.84996	2.5
229.93233	2.6
300.43484	2.8
326.11752	2.9
329.10358	46.7
330.75122	2.8
341.10297	59.5
341.14050	4.4
344.12668	99.6
356.12695	25.6
359.10764	5.0
359.14993	100.0
371.14941	45.0
477.17642	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.3
71.01379	2.2
81.61533	1.0
85.02936	1.8
89.02418	1.6
101.02438	2.7
113.02391	1.4
121.02920	6.6
128.03513	1.6
154.53046	1.3
193.05064	2.0
223.07643	1.6
223.09761	1.3
225.05544	1.8
226.06337	22.8
238.06326	12.8
240.07820	1.7
241.08672	6.8
253.05104	8.6
254.05850	2.6
265.04984	2.5
266.05737	8.3
267.06583	2.0
269.04568	2.8
270.05377	15.9
281.04553	4.5
282.05331	53.2
284.06946	9.6
285.07693	100.0
297.07648	73.8
315.08850	9.9
417.16745	2.1
477.13928	7.9
477.23724	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	477.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36554	1.8
58.99570	1.8
59.01383	7.7
62.36100	1.7
62.86005	1.9
70.99653	1.9
71.01348	2.5
72.68772	1.8
73.02940	3.1
79.68972	2.1
79.75383	1.9
86.62467	1.8
92.19966	4.7
96.96000	4.6
101.02465	2.4
118.98081	2.4
153.05595	12.0
154.05882	2.1
167.03554	2.2
199.93524	2.6
209.06090	2.7
221.06033	4.4
226.06311	26.8
238.06310	20.9
241.04968	3.2
241.08641	13.3
253.08652	12.2
256.07419	2.4
270.05408	17.4
270.08234	2.7
282.05331	43.9
284.06647	2.9
285.04544	3.8
285.07693	97.7
297.07703	100.0
299.05823	3.2
314.07986	2.7
315.08762	15.2
344.01874	2.4
390.83160	2.2
433.21439	1.9
477.12854	22.6
477.24231	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	477.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75309	1.8
53.17814	2.0
69.27615	1.8
70.08177	2.2
74.08387	2.1
99.92587	3.8
100.93352	11.1
115.92062	13.8
116.92846	100.0
171.01585	2.2
336.02478	2.4
477.10660	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	477.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13129	1.2
57.14313	1.3
59.01379	10.0
71.01382	1.8
77.26614	1.4
84.69160	1.4
85.22009	1.3
96.73142	1.3
99.92561	6.3
100.93347	13.9
101.02438	1.3
102.98542	1.5
103.94003	1.2
104.35949	1.2
106.33756	1.4
115.92041	12.0
116.92844	100.0
133.15636	1.5
162.56873	1.5
373.09457	2.0
391.10895	2.5
433.11737	5.2
477.10791	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	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35428	0.9
68.74149	1.0
78.95906	10.6
81.01862	0.9
96.16483	0.9
96.17094	1.2
114.18423	1.1
139.52100	1.2
140.01155	7.5
152.99518	1.2
184.52969	1.0
196.03825	11.6
205.30020	1.2
214.04712	1.3
279.23288	100.0
299.85947	1.0
402.57083	1.1
409.21088	1.2
476.27805	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0826
Annotation	Desalanylbenanomicinone
Peak:m/z	Relative Intensity
57.03426	1.5
57.78112	1.1
59.01379	38.7
72.99297	11.1
73.02949	15.5
86.26955	1.4
89.02399	1.6
93.03450	6.2
94.36433	1.3
101.02392	1.9
102.04356	2.0
102.76728	1.5
113.02407	1.9
117.03439	27.7
128.06941	1.4
159.04546	9.8
161.02415	5.9
173.11757	1.6
197.06088	11.3
199.04033	6.2
203.03476	8.3
209.06071	8.7
241.05046	83.0
253.05045	27.8
265.05042	18.6
267.02991	7.6
274.81012	1.7
277.05029	3.1
283.06119	28.9
295.06158	3.2
297.04022	26.6
309.03967	11.3
321.04025	6.2
335.86676	1.5
339.05127	8.6
365.02924	2.7
385.82407	2.0
391.27347	2.2
403.08209	27.7
417.25040	1.8
433.28094	28.2
459.07123	17.3
477.08270	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04449	0.8
54.58221	0.8
55.66171	0.9
56.69786	0.7
60.30976	0.7
71.62376	0.8
76.16944	0.8
78.60645	0.9
78.95911	3.4
92.19314	1.3
113.80191	0.9
134.03198	1.0
139.01308	1.0
140.01166	0.9
145.43480	0.8
214.04816	1.7
225.61011	0.9
225.70680	0.8
279.23276	100.0
297.82703	0.8
373.69556	0.9
476.27844	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83004	1.8
57.23701	1.9
59.01368	2.5
61.98829	100.0
63.59635	1.8
75.77576	1.9
77.07779	2.0
80.23264	1.9
99.93950	1.9
101.08052	2.1
110.33835	2.2
112.34624	2.1
120.34946	2.4
128.13676	2.2
154.45564	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.278
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.68643	0.6
54.20868	0.5
59.65602	0.6
63.23758	0.6
78.95895	100.0
96.96943	7.9
152.99568	29.5
155.52644	0.7
156.93471	0.7
166.54768	0.7
171.00636	37.9
402.24164	3.3
446.04602	0.8
476.27820	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3064
Annotation	Polyporusterone B
Peak:m/z	Relative Intensity
59.01375	1.3
83.05017	5.4
91.83117	1.3
108.70447	1.3
123.71609	1.2
136.43677	1.2
155.14342	1.7
161.43904	1.3
183.64603	1.4
369.31427	2.1
375.25211	3.0
377.26901	5.6
413.30466	7.8
431.31741	5.3
457.29614	3.1
475.23651	3.3
475.30563	100.0
477.43881	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	475.3067
Annotation	Polyporusterone B
Peak:m/z	Relative Intensity
53.26370	9.8
56.34183	10.8
57.01054	11.2
57.15243	9.5
106.26509	11.9
109.93503	12.7
113.79274	11.8
115.59480	12.1
149.98763	14.4
182.14284	12.7
241.88783	11.7
355.53900	11.9
475.30640	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	475.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.09506	2.4
63.95995	3.0
68.37707	2.7
83.05000	3.0
89.02440	3.6
91.03988	4.5
97.06582	18.0
97.44775	2.5
116.58365	3.2
134.78935	2.6
141.09093	2.7
158.44994	2.8
169.12375	4.7
178.90051	2.5
199.16939	2.8
219.84106	3.1
243.19562	12.0
282.46207	3.2
299.00864	2.9
309.53610	2.6
316.85889	3.7
326.14407	2.7
341.26950	47.3
433.32013	3.2
475.25711	4.2
475.32587	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	65.5
62.14081	1.5
71.01375	12.2
73.02929	3.6
76.96924	1.5
85.02924	3.0
85.14027	1.3
87.00874	3.0
89.02442	5.8
92.71171	1.9
101.02431	11.5
113.02379	6.3
116.92831	3.5
131.53458	1.5
154.58023	1.6
159.06485	1.7
165.81105	1.5
174.03520	1.8
209.41003	2.0
227.16510	59.8
253.18056	7.4
271.19104	2.9
415.23352	3.9
433.24454	21.1
475.25452	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	475.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63692	0.5
56.77073	0.6
58.40841	0.6
59.01381	100.0
60.01726	5.5
61.01802	4.9
61.98839	0.8
64.85796	0.6
65.06033	0.6
65.92083	0.6
66.62037	0.6
89.94829	0.6
91.03973	1.6
99.08132	6.8
104.89064	0.7
122.63383	0.7
139.64554	0.7
152.99501	0.8
181.12338	1.5
273.26627	0.8
319.51663	0.8
319.56494	0.6
341.23373	11.8
394.38226	0.7
472.81421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63224	0.5
59.01376	100.0
63.74565	0.6
71.01374	13.0
73.02939	8.8
83.01376	1.4
85.02933	5.8
87.00877	0.9
88.68333	0.8
89.02443	5.6
95.01368	1.1
96.95993	23.1
101.02415	11.0
110.43999	0.6
113.02454	8.0
119.03491	1.2
119.04984	1.0
125.02437	1.0
143.03496	1.1
145.02916	1.3
149.02405	0.7
158.86716	0.7
159.02869	0.6
161.04556	7.3
163.03993	6.9
165.09119	0.8
193.01506	0.8
195.10229	1.1
199.08659	0.8
221.42390	0.6
229.09782	0.7
269.08105	5.1
313.08096	1.0
415.23502	24.5
429.21164	1.5
431.13681	1.0
475.12314	2.1
475.18103	0.8
475.25333	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09335	0.8
55.01879	1.1
55.95106	0.8
57.33317	0.8
57.74653	0.8
59.01376	69.9
63.25212	0.8
67.54371	0.9
71.01370	22.4
73.02941	9.1
83.01375	3.6
85.02927	13.0
87.00850	1.9
89.02430	4.7
95.01360	1.1
97.02959	1.2
99.00848	3.6
101.02425	25.2
113.02431	12.0
120.94118	0.9
125.03249	0.9
142.57523	0.8
143.03441	1.1
147.44086	0.8
161.04582	1.6
245.94394	0.8
253.18166	1.3
258.56790	0.8
389.25464	3.5
415.23196	5.9
433.24335	6.3
475.25461	100.0
491.68036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44773	1.0
57.88621	1.0
59.01378	100.0
60.60888	1.2
71.01376	5.0
71.18267	1.1
73.02916	1.4
85.02923	2.3
89.02425	1.5
99.95929	1.1
100.93344	2.6
101.02418	1.6
116.92818	5.3
119.05035	1.2
144.15721	1.3
151.00392	1.8
158.93890	1.4
165.05522	1.9
236.15923	1.3
269.12036	1.1
271.05936	1.4
272.85544	1.1
415.23227	6.6
433.24225	1.3
475.18884	2.1
475.25308	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
70.39929	1.2
71.01374	26.1
73.02938	20.2
76.93579	1.1
83.01382	2.3
84.41780	1.1
85.02931	9.9
89.02448	13.1
101.02444	17.8
113.02443	24.3
119.03443	6.0
161.04523	6.0
179.05612	5.0
264.15594	1.2
381.98770	1.2
415.23404	38.2
428.27991	1.4
433.24557	1.8
475.25378	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	475.2469
Annotation	Bazouanthrone
Peak:m/z	Relative Intensity
51.48644	44.8
51.64463	50.6
52.30220	41.1
58.36392	50.1
59.01364	100.0
68.27147	50.2
475.24536	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01377	100.0
59.48091	0.8
70.72105	0.9
71.01370	26.2
71.29916	0.9
73.02940	19.7
83.01370	3.8
85.02937	12.7
86.17856	0.9
87.00860	1.8
87.04488	2.3
89.02426	18.5
95.01351	4.2
101.02428	20.3
103.94821	0.9
113.02419	20.3
119.03439	4.9
120.99589	1.8
124.07163	0.9
128.03500	1.5
143.03459	1.6
161.04494	4.6
164.00986	0.9
179.05685	3.6
271.19125	1.5
283.77118	1.0
345.15439	7.9
415.23404	45.6
431.18918	7.9
433.24298	6.1
475.12827	2.0
475.25690	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	475.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58549	11.7
57.20906	12.5
61.98826	100.0
66.87495	15.3
67.70047	14.9
72.86774	15.3
79.48386	14.9
126.57967	15.6
129.47749	16.8
136.62604	16.4
145.24026	13.6
214.87422	15.4
279.92545	14.8
475.11963	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73471	0.8
57.03442	5.1
58.23707	0.8
59.01377	32.5
61.64429	0.8
71.01382	7.5
73.02929	8.5
78.68977	1.0
85.02924	6.0
87.00858	4.0
89.02430	7.4
89.16885	1.0
90.07307	0.9
93.03439	5.5
101.02420	10.5
113.02419	1.3
119.03457	1.8
119.04967	2.2
122.42559	1.1
149.02409	5.3
175.03984	11.3
198.45702	1.0
201.01958	4.5
215.31061	1.0
223.07672	1.7
227.07065	2.1
235.07793	1.0
251.07152	19.6
253.05009	1.4
269.08228	9.0
283.09769	15.7
295.06113	100.0
295.09384	4.9
313.11069	1.1
345.15527	10.8
415.23633	1.7
431.19110	21.2
475.16125	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	37.1
59.01380	100.0
64.74032	4.0
71.01371	49.5
73.02935	30.6
77.54032	4.5
85.02931	26.2
89.02415	21.6
95.01366	6.1
101.02434	43.3
113.02431	41.9
113.03117	6.0
115.00312	21.7
118.73205	4.4
141.95914	4.8
147.11781	6.4
149.80191	4.9
209.11835	23.6
236.32440	4.6
259.80670	4.8
281.72290	4.9
299.17673	8.8
368.32806	4.8
431.13608	7.6
431.19162	93.9
475.16125	7.8
475.22357	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	475.1612
Annotation	CHEBI:69638
Peak:m/z	Relative Intensity
59.01406	1.1
60.10812	1.1
72.23929	1.1
75.23499	1.0
93.03432	6.1
94.73366	1.2
112.80690	1.2
119.05019	22.6
132.05807	2.5
133.06583	34.4
145.02936	9.7
145.06589	2.7
149.02419	6.4
163.03951	15.7
164.04745	1.6
172.91246	1.2
175.03973	1.9
193.01360	2.3
201.09380	1.1
227.37529	1.2
239.10771	100.0
251.10767	47.0
254.65977	1.3
265.08691	1.5
269.08258	11.9
269.11832	49.7
295.09869	7.8
313.10825	89.7
355.06680	2.4
431.13596	1.7
475.12393	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	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41538	2.6
56.58747	2.6
57.03443	38.5
59.01089	4.3
59.01374	97.4
64.09473	2.9
71.01359	29.0
73.02935	52.6
80.04288	2.7
83.01372	5.7
85.02918	7.5
89.02421	7.3
96.71791	3.1
101.02429	35.8
113.02398	13.6
127.30624	3.0
147.11794	4.4
163.95355	3.1
209.11803	3.8
232.58263	3.5
240.29659	3.5
264.06357	3.0
292.95471	3.2
308.22891	2.8
329.69586	3.1
339.31961	3.1
345.15359	4.7
415.23486	14.3
431.19189	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	475.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89478	2.2
59.01375	52.1
64.23546	1.9
70.35213	2.0
80.19872	1.7
87.00856	37.5
99.92599	2.9
115.92021	2.2
116.92841	7.5
117.90891	2.0
126.27475	1.8
126.38107	1.9
147.79428	2.0
190.06367	4.9
213.43329	1.9
222.05237	3.8
271.06076	2.2
283.09723	4.9
297.07861	2.8
309.07620	9.4
312.06238	2.2
313.11078	2.4
322.08450	4.2
323.09225	29.6
324.10086	15.7
327.08762	71.7
338.11572	12.6
339.08713	93.7
339.12378	11.1
342.11050	85.6
354.11099	28.8
357.13455	100.0
369.13403	85.1
449.01282	2.4
475.16235	19.9
475.25250	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	475.1611
Annotation	tryptoquialanol
Peak:m/z	Relative Intensity
50.08624	2.0
51.97733	1.8
59.01379	44.9
67.63002	2.0
68.99813	10.2
71.01377	10.4
73.02936	2.4
78.95906	3.2
89.02416	21.9
101.02412	9.2
108.02142	5.3
113.02457	3.2
116.92825	4.6
119.03497	3.8
119.05000	2.7
121.06594	2.7
123.00938	3.3
123.04504	24.3
148.01566	3.3
150.03215	13.7
161.02397	11.5
162.03203	3.7
163.03990	14.4
164.01151	3.4
165.05550	2.3
166.02693	3.8
177.05525	45.3
178.02708	40.5
179.03482	12.0
181.05060	16.5
193.05066	65.8
194.05884	4.4
221.08153	9.1
221.78598	2.7
223.07693	4.9
223.30861	2.3
235.07581	12.2
236.08427	2.6
251.05505	2.6
251.11111	7.1
266.07910	10.6
269.11829	15.0
277.08679	9.7
281.10275	5.3
295.09732	37.2
305.05347	2.8
375.10938	5.4
431.17099	25.3
475.09665	4.9
475.16125	100.0
475.22668	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	475.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74816	1.8
59.01377	16.8
61.37978	2.0
76.17794	2.2
91.70882	1.9
99.92548	6.5
100.93313	7.8
104.91635	1.8
108.50648	1.8
115.92044	10.3
116.92839	69.7
153.01872	3.5
153.05528	2.6
158.03723	4.7
159.04607	2.8
160.05295	19.3
166.02716	13.4
173.06091	20.0
175.04019	13.4
175.07671	10.4
181.05038	19.2
188.04732	4.2
189.05586	3.2
190.06366	26.2
201.01845	2.4
202.02762	9.1
202.06357	4.8
203.03464	12.9
203.07202	7.1
204.04320	3.4
205.08699	4.6
217.05048	23.2
218.05826	10.5
219.06636	3.0
233.08243	4.1
323.05484	2.1
327.08823	2.7
339.08783	9.5
355.08264	20.8
370.10883	6.8
385.12918	100.0
389.42941	2.4
405.35324	2.2
415.14005	16.1
440.76880	2.1
475.09427	17.8
475.15811	3.6
475.23550	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	475.161
Annotation	CHEBI:69638
Peak:m/z	Relative Intensity
58.99911	1.5
59.01382	6.9
67.14261	1.3
71.01348	1.6
85.02921	1.8
93.03445	16.4
101.02459	1.9
129.74872	1.5
145.06570	2.4
149.02423	1.8
175.04042	5.4
223.07579	11.0
235.07664	2.9
239.10751	15.7
251.07159	9.9
251.10713	6.0
265.08685	6.3
269.07968	3.8
277.08594	3.2
283.09756	100.0
295.06107	51.1
295.09720	26.8
313.10855	9.1
345.15393	2.8
393.20154	1.7
457.60431	1.6
475.16281	27.8
491.24585	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86877	2.6
55.01868	3.0
59.01390	43.7
66.43878	3.0
71.01369	51.0
73.02935	8.0
75.00850	4.4
75.71491	3.2
83.01355	7.5
85.02951	27.5
87.00844	3.5
89.02406	13.0
96.28007	3.1
96.96000	16.6
99.00887	5.2
101.02427	40.2
107.05016	4.9
108.02165	54.9
109.02944	93.4
111.92835	3.2
113.02435	41.6
115.00352	4.9
128.03546	5.4
131.03494	3.4
137.06105	5.6
151.04024	5.2
161.04567	22.7
181.03627	3.6
203.05617	4.4
271.08142	4.1
289.54025	4.1
294.00717	3.9
313.09253	17.3
341.36105	3.4
431.16205	4.2
433.13385	24.6
475.14346	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	475.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	38.3
69.80640	2.8
71.01369	74.7
73.02941	19.0
75.17991	2.9
83.01392	3.7
85.02957	22.9
89.02428	22.1
91.27965	3.2
95.01368	3.2
96.95975	6.8
99.00880	4.2
101.02427	60.1
107.05019	94.8
108.44248	3.4
113.02423	42.0
134.71248	3.6
143.03523	3.8
151.04051	3.8
161.04562	26.5
166.00937	3.9
178.03258	3.4
181.03267	14.8
260.24335	3.2
278.52765	2.9
340.12735	3.0
431.15317	34.9
474.14267	3.5
475.08841	3.9
475.14548	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	475.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38826	0.4
59.01376	0.4
59.42351	0.4
61.70900	0.4
71.01369	7.9
72.99310	3.5
79.37373	0.5
79.82384	0.4
87.00877	0.8
88.04047	0.7
89.02424	4.7
92.84532	0.4
101.02430	2.7
115.00353	35.5
132.02995	4.7
133.01413	100.0
133.05034	7.8
137.80809	0.4
151.56227	0.5
198.71764	0.6
244.31885	0.5
307.73636	0.5
341.10895	0.8
377.08502	2.3
415.14609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07084	0.9
59.01347	1.0
62.51029	1.0
71.01368	6.5
72.99300	2.5
79.34552	1.0
88.56753	1.0
89.02422	5.7
92.19281	1.9
99.09231	1.2
115.00356	38.0
132.03003	2.3
133.01413	100.0
133.05037	1.6
150.51631	1.1
152.09801	1.0
176.24568	1.0
195.53864	1.1
327.31534	1.1
349.28915	1.0
356.02081	1.0
494.92007	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	475.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89382	3.0
59.01380	68.0
71.01376	21.2
73.02937	22.1
82.44177	2.8
85.02921	3.4
87.00869	4.7
89.02431	3.0
101.02427	11.8
105.03432	4.6
111.00856	6.3
113.02431	13.2
119.05010	66.9
123.04489	3.5
149.02429	100.0
153.05588	35.4
162.05588	3.7
163.03940	3.3
167.03442	4.2
172.22852	3.0
175.04105	2.9
176.04785	4.3
185.66991	3.4
191.07135	31.2
200.10823	4.9
200.85645	3.0
209.11699	3.2
214.07394	16.7
224.10677	11.5
225.05838	25.9
226.07431	4.0
230.44890	3.0
237.06712	12.4
238.07539	44.1
240.08891	4.6
241.06087	4.6
242.06973	6.7
243.11409	42.8
253.09892	43.4
254.10698	14.7
255.11389	15.0
266.06821	6.7
267.11325	22.1
269.08170	90.6
271.10925	58.1
277.48502	4.1
284.69385	3.9
285.12585	4.0
295.10843	16.8
313.07892	3.0
313.11972	19.9
387.10925	3.3
431.13626	31.8
431.18842	5.1
475.12335	17.4
475.22708	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	475.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.4
67.86568	0.6
70.99597	1.5
71.01359	3.3
73.02936	3.1
85.02976	1.0
89.02438	0.8
101.02452	3.0
113.02427	1.9
119.03457	0.8
120.99612	7.7
123.00867	1.0
130.86002	0.7
138.03215	15.3
140.72066	0.7
153.05560	100.0
161.04535	0.9
176.04808	1.8
191.07130	17.0
209.02739	3.1
209.46436	0.7
210.03586	7.2
225.05898	31.2
266.05777	1.5
266.11838	0.8
267.06497	3.2
268.06653	5.0
269.07864	1.7
271.19022	1.4
313.07562	6.7
352.10419	0.8
387.11081	10.0
415.23425	3.8
431.12598	1.6
475.12790	42.4
475.25967	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	475.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16538	0.6
55.80359	0.7
59.01080	1.3
59.01379	33.9
59.70457	0.6
59.77370	0.6
65.59702	0.8
69.12679	0.8
71.01369	8.0
73.02928	2.8
83.01366	1.0
85.02928	1.4
87.00898	0.7
89.02435	3.4
93.03406	0.8
96.96001	5.6
101.02435	6.3
105.03469	3.3
113.02440	4.3
119.03582	0.8
119.05003	30.8
120.99609	1.3
138.03174	3.9
145.02969	5.2
149.02431	25.0
153.05557	20.5
161.04488	0.9
162.03229	1.0
163.03969	12.7
167.03496	1.4
175.03952	0.9
177.12811	0.7
193.01390	3.8
220.41490	0.7
225.05879	4.6
225.09201	1.8
227.07036	2.9
251.06966	1.2
266.05920	6.3
267.06482	13.4
268.06665	14.6
269.08209	100.0
271.19019	1.2
313.07559	1.4
352.01059	0.9
355.06799	1.2
387.11313	1.0
415.23450	8.9
431.13113	8.0
431.18497	1.2
433.24356	1.0
475.12790	10.3
475.19003	1.5
475.25452	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79549	1.1
59.01375	3.1
64.80206	1.2
70.76053	1.2
77.69399	1.1
93.03452	5.4
96.95998	11.5
109.02940	1.4
119.05010	32.5
123.04498	8.5
132.05791	1.9
133.06577	31.7
145.02940	45.0
145.06596	2.6
149.02415	26.0
161.02472	1.3
163.04018	17.9
175.04005	11.8
181.78291	1.5
189.05518	1.8
193.01367	23.1
201.09250	2.8
227.07040	2.0
239.10764	100.0
251.10754	49.8
269.08212	34.1
269.11810	49.3
295.05954	5.8
295.09677	5.6
295.42432	1.5
313.10825	88.4
355.06760	19.4
431.13940	1.8
440.29694	1.5
455.52313	1.6
475.12436	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99813	0.3
54.85444	0.4
54.97469	0.3
56.46624	0.4
57.03449	4.2
57.13640	0.4
59.01380	28.1
60.23932	0.4
61.40044	0.3
61.98832	0.6
67.54464	0.4
71.01381	6.7
73.02930	5.8
80.85565	0.4
83.01394	0.8
85.02951	4.7
87.00865	2.8
89.02451	6.7
93.03440	6.2
95.01402	0.5
101.02427	7.2
113.02461	3.1
114.06233	0.4
119.03479	2.6
119.05002	3.9
119.05736	0.4
121.10199	2.0
145.02982	1.6
147.11761	1.3
149.02446	5.5
161.02431	2.4
161.04594	0.6
163.03894	0.5
175.03975	10.7
181.06708	0.5
183.08109	0.6
189.01924	0.8
201.01878	5.3
209.06094	1.0
209.11794	0.5
223.07697	4.5
227.07178	0.8
239.10773	3.3
251.07135	18.7
251.10727	1.4
253.04991	2.9
265.08673	2.1
267.06683	2.3
269.08237	10.7
277.05118	1.6
277.08533	0.7
283.09741	17.8
293.04654	0.5
295.06134	100.0
313.07190	1.5
313.10855	1.9
345.15469	11.5
415.23596	1.6
431.19098	17.4
450.51129	0.5
475.16440	6.0
475.27194	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	475.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99605	5.0
74.33598	1.9
101.39157	1.8
101.80405	2.1
103.82448	2.0
105.03451	8.3
106.55295	1.9
112.25228	1.9
117.47943	1.9
119.05008	50.8
120.99647	4.3
138.03220	7.8
145.02924	2.3
149.02438	91.4
153.05563	73.5
161.02406	3.0
167.03467	7.8
175.04012	2.6
176.04727	17.3
191.07141	66.8
209.02803	3.1
210.03548	3.2
224.05275	7.6
225.05898	49.4
229.74330	1.9
267.06488	2.5
269.08188	100.0
313.07605	9.5
358.40329	2.3
368.06723	2.2
387.11121	14.8
431.13504	40.2
475.12717	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	475.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27140	0.8
59.53041	0.7
68.25608	0.8
69.72523	0.9
71.01382	6.3
72.99287	1.1
81.40776	0.9
84.56224	0.8
85.73508	0.8
89.02413	1.2
115.00352	39.5
133.01418	100.0
135.04634	0.8
161.02469	4.4
173.04646	0.9
179.03584	1.0
183.53784	0.8
296.06976	0.9
341.08975	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	475.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93956	0.4
57.03414	0.6
59.01371	2.6
60.93341	0.5
63.05075	0.4
65.05661	0.4
66.91355	0.4
71.01357	1.9
73.23557	0.4
88.04008	1.1
88.45692	0.5
89.02432	0.7
96.95992	100.0
101.02424	1.0
102.78012	0.5
113.02425	0.6
115.00321	2.7
116.00780	0.7
128.81256	0.5
132.03004	0.8
153.09259	1.0
171.10275	1.0
191.93082	0.5
215.09311	0.7
224.13019	0.8
225.13371	0.9
331.49939	0.5
377.14603	4.1
415.14325	0.6
475.16324	8.4
475.22034	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	475.1247
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
51.08982	0.9
59.01377	63.8
59.24548	1.2
61.05161	1.2
71.01360	7.3
73.02933	20.2
83.01373	1.6
85.02943	5.2
89.02419	2.3
93.03450	7.6
101.02425	5.6
107.01363	6.0
108.66882	1.3
113.02392	5.0
117.42252	1.2
119.05003	22.6
123.08146	1.4
151.00354	51.4
151.01527	2.6
161.04588	1.7
169.01459	2.0
177.01935	5.7
215.12930	2.8
227.07135	1.6
228.86392	1.2
249.37846	1.3
269.08115	2.0
270.08429	2.6
271.06143	100.0
271.08807	5.3
339.08859	1.3
413.25848	1.6
415.23520	5.3
431.26608	9.3
475.12521	1.6
475.21024	2.7
475.27045	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	475.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98452	0.9
57.23274	0.8
71.01373	6.9
72.99318	0.9
80.62553	1.1
87.00888	1.1
103.44037	1.0
114.99530	1.2
115.00356	41.3
133.01419	100.0
152.23439	1.2
227.52396	1.0
288.61014	0.9
402.96326	1.1
403.15030	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	475.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39275	0.2
55.05819	0.2
55.63282	0.2
59.01363	0.2
71.01372	7.7
72.99309	2.3
84.90995	0.2
87.00870	0.4
88.04031	0.3
89.02439	1.9
112.73134	0.2
114.58311	0.2
115.00354	39.6
125.06973	0.2
132.03035	1.8
133.01416	100.0
135.04550	0.3
161.02431	1.2
179.03488	0.3
199.71135	0.2
341.08676	0.8
377.08478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18170	0.8
56.52181	0.8
59.01382	8.9
59.01619	0.9
59.67641	1.1
59.68945	0.9
64.63588	0.8
68.63348	0.8
76.21150	0.9
78.35329	0.9
98.81289	1.0
99.92547	7.8
100.93340	16.8
115.92064	14.2
116.92839	100.0
118.00037	0.9
121.87207	0.9
158.93764	0.9
183.85860	1.0
268.03787	0.9
293.89877	0.9
371.08139	1.2
431.10052	5.6
439.06918	1.4
475.09128	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56611	0.5
52.95002	0.6
55.52694	0.6
59.01374	3.1
61.24836	0.6
63.46583	0.6
67.43996	0.6
69.08679	0.6
74.54060	0.6
80.46198	0.8
81.87167	0.7
99.92578	4.7
100.93347	15.7
115.92052	9.0
116.92842	100.0
119.98559	0.6
142.94383	0.8
143.17610	0.7
158.93958	0.8
177.69461	0.7
184.91832	1.0
191.76309	0.7
210.35358	0.8
210.40793	0.8
251.47696	0.9
346.54349	0.7
365.72504	0.8
371.08051	1.3
389.09140	1.5
396.11868	0.7
413.08804	0.8
431.10254	6.3
475.09192	30.5
475.16034	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0881
Annotation	Isoscutellarein 4'-methyl ether 8-glucuronide
Peak:m/z	Relative Intensity
53.26060	0.6
59.01374	13.1
64.84328	0.5
66.26724	0.6
67.45523	0.5
71.01365	4.0
73.02921	2.8
85.02950	0.7
89.02405	1.2
101.02412	4.1
101.68262	0.6
106.39143	0.7
113.02419	1.4
128.56841	0.6
268.03757	100.0
269.04535	41.8
283.06168	1.3
295.02359	0.7
311.05707	1.1
311.58084	0.6
313.03433	0.8
345.15445	1.1
427.50513	0.8
431.09851	12.3
431.18814	4.4
475.08804	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
51.58308	3.0
52.57814	3.1
78.95892	100.0
79.44719	4.3
139.50665	3.4
152.99590	28.5
162.73027	3.6
171.00621	34.8
235.52803	3.3
237.60855	3.7
244.93822	3.4
287.50723	3.7
474.26324	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11161	1.7
59.01381	32.6
62.42768	1.8
64.90260	1.8
64.95539	2.2
82.70808	2.1
100.79579	1.8
115.02479	2.2
159.01479	100.0
174.20656	2.0
192.75554	2.1
201.02554	45.7
203.02275	2.1
248.95619	9.2
259.01627	3.1
301.02679	71.6
332.83755	4.1
343.03882	2.9
414.96417	2.4
416.82867	2.0
432.97766	18.3
474.84610	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10526	1.4
52.72961	1.6
59.01376	2.8
61.25233	1.7
68.30522	1.4
78.95901	22.3
88.23318	1.5
95.37828	1.6
98.55685	1.7
140.01212	12.0
152.99643	3.5
196.03769	16.1
230.86440	1.7
277.21716	100.0
474.26233	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72702	0.7
56.92553	0.8
61.98829	100.0
80.42112	0.9
115.06302	0.9
169.34660	0.8
188.61865	0.8
394.84286	1.0
425.75577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70390	0.8
59.01377	3.2
75.62952	0.7
78.95897	2.2
79.99535	0.9
80.05035	0.8
85.85741	0.9
91.45634	0.9
105.03654	0.9
129.76292	0.9
140.01175	1.7
194.02861	1.0
196.03819	1.2
214.04886	2.0
277.21725	100.0
285.25052	0.9
326.81180	1.3
369.89383	1.1
383.21066	0.9
389.32996	0.9
474.26270	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	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	45.1
71.01368	23.3
73.02929	6.7
83.01360	2.7
85.02936	12.4
89.02448	20.8
95.01369	1.7
99.00858	8.6
101.02435	24.9
104.07298	1.5
111.04505	10.6
113.02451	13.2
115.06864	2.8
115.07630	49.5
116.92815	2.7
117.92824	2.3
119.03485	8.6
152.10820	2.3
158.10643	1.6
158.11829	10.7
189.00249	1.5
196.09654	1.9
270.48489	1.5
358.15152	3.5
366.20642	1.8
376.16141	7.2
452.06757	1.9
474.23499	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	474.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11738	0.8
55.53667	0.8
57.91137	0.7
61.98829	100.0
67.61055	0.8
72.74122	0.7
89.00325	0.9
95.07652	0.9
103.64134	0.8
135.04524	4.3
196.33759	0.8
205.58650	0.9
249.12448	88.4
264.06842	1.0
375.50943	0.8
411.17746	35.3
411.23227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48822	0.9
58.31850	1.1
61.98829	100.0
66.59751	1.1
82.50556	1.2
96.95998	5.0
103.12383	1.2
135.04495	2.9
174.23476	1.4
249.12447	93.4
313.08163	1.3
388.90656	1.5
411.12595	1.9
411.17749	47.4
468.61163	1.3
474.17023	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	474.173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	1.9
59.58486	1.2
59.82155	1.0
71.00969	1.1
83.01398	1.5
84.02902	1.3
87.05582	1.9
88.04017	16.7
89.02436	2.0
97.04098	1.3
100.04028	5.4
102.05599	20.6
116.07156	6.0
124.04018	17.2
128.03520	76.4
129.10341	10.6
141.06650	2.5
142.05051	13.0
146.04596	15.4
159.07732	2.7
160.06161	10.5
166.05115	1.6
184.06215	1.6
201.12512	1.6
202.07228	10.9
203.18964	1.3
245.11456	6.9
274.09293	2.0
306.57224	1.3
307.23230	1.2
310.31680	1.2
331.19107	1.5
345.13055	37.2
382.17407	1.3
465.58398	1.4
474.17328	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	474.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70887	1.4
54.97390	1.4
59.01371	9.1
61.98813	2.9
71.01379	18.1
73.02938	2.4
74.53099	1.5
76.87325	1.5
88.04028	34.2
96.04531	2.8
101.02435	3.0
109.06577	6.7
115.00351	40.1
118.11818	2.2
128.03551	1.9
132.02995	9.5
133.10246	2.9
152.10840	17.9
152.11868	2.4
153.09152	8.7
159.58153	1.4
178.08685	9.1
196.09802	6.7
197.08246	2.2
206.11877	18.7
224.12935	19.1
232.09778	3.0
238.10831	1.8
250.10838	2.8
268.11737	2.0
312.10724	6.6
414.13947	9.1
474.16214	100.0
474.23709	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	474.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70887	1.4
54.97390	1.4
59.01371	9.1
61.98813	2.9
71.01379	18.1
73.02938	2.4
74.53099	1.5
76.87325	1.5
88.04028	34.2
96.04531	2.8
101.02435	3.0
109.06577	6.7
115.00351	40.1
118.11818	2.2
128.03551	1.9
132.02995	9.5
133.10246	2.9
152.10840	17.9
152.11868	2.4
153.09152	8.7
159.58153	1.4
178.08685	9.1
196.09802	6.7
197.08246	2.2
206.11877	18.7
224.12935	19.1
232.09778	3.0
238.10831	1.8
250.10838	2.8
268.11737	2.0
312.10724	6.6
414.13947	9.1
474.16214	100.0
474.23709	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	473.3274
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
61.83350	10.9
66.77876	12.0
91.92815	12.6
106.81303	11.8
109.06564	76.2
117.95779	11.4
122.13564	13.6
172.92554	11.5
187.90608	11.9
198.39809	12.4
219.36575	12.9
357.31476	59.7
411.32483	13.2
429.33746	28.7
473.32700	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	474.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28265	0.8
59.50571	0.7
63.69041	0.8
65.45433	1.0
71.01424	0.7
83.17387	0.9
96.94672	0.9
120.01237	14.5
123.00819	0.9
138.03206	20.7
153.05557	100.0
163.15443	0.8
167.71811	0.8
194.22050	0.8
210.03555	8.0
225.05893	33.9
234.07632	0.8
247.57056	0.9
312.09131	4.7
387.11212	16.4
474.14490	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	473.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83921	11.0
59.01383	11.8
63.19579	11.4
70.10764	10.7
76.58195	10.8
84.89211	11.1
88.54305	11.0
104.95449	9.8
152.99538	14.9
160.79285	11.4
192.97668	11.3
279.23248	22.4
305.24951	100.0
425.67743	14.8
437.29330	19.4
473.26633	28.6
491.08063	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	473.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59762	0.4
55.01859	0.6
57.03442	4.0
59.01373	7.7
61.98827	0.4
66.85965	0.4
71.01378	0.4
73.02930	2.4
81.01232	0.4
83.01378	12.5
88.67875	0.4
89.02425	1.0
91.03978	5.8
101.02431	7.2
112.24433	0.4
113.56879	0.4
119.03498	0.8
157.05045	6.0
163.53789	0.4
175.06102	36.4
193.07146	6.8
237.22195	0.4
255.23279	100.0
339.43420	0.5
409.15637	0.5
413.29120	7.4
431.30154	48.3
473.31180	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69148	0.9
59.01376	100.0
62.25967	1.0
63.83424	0.9
66.94721	1.1
71.01369	9.8
71.78484	0.9
73.02937	6.6
83.01389	1.1
85.02949	1.9
89.02428	8.3
92.19367	1.3
101.02437	7.2
113.02422	6.7
119.03474	2.2
120.69289	0.9
137.02429	1.8
161.04541	8.6
179.05600	4.4
193.12329	1.3
221.15416	2.1
251.16478	4.2
348.67963	1.1
413.21777	6.4
473.23743	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38562	0.6
57.44897	0.6
59.01089	1.7
59.01378	50.3
62.40385	0.7
66.95380	0.8
71.01375	13.2
72.99298	18.9
73.02928	8.0
79.29774	0.7
83.01375	3.7
85.02919	5.5
87.00880	0.8
87.04514	0.9
89.02423	10.2
95.01357	0.8
101.02436	18.4
105.93655	1.0
113.02383	7.3
119.03463	1.2
251.16499	3.8
327.89877	0.8
413.21619	8.7
431.22839	12.3
473.23871	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	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85889	0.7
59.01380	100.0
71.01376	3.1
84.55702	0.7
85.02933	1.1
101.02419	3.5
113.02442	1.3
119.03499	0.7
269.08212	4.6
302.30234	0.8
316.11301	0.9
353.19836	1.7
371.20715	3.5
413.21915	12.6
448.32318	0.8
473.23807	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	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51810	2.5
58.86693	2.9
59.01088	4.7
59.01375	100.0
71.01363	21.0
73.02959	4.9
77.50883	2.9
83.01354	3.8
85.02926	4.6
89.02454	12.6
89.11143	3.3
101.02434	7.1
113.02422	13.5
116.92879	22.5
117.51453	2.9
169.90794	3.6
275.44287	3.8
413.21997	39.2
431.23038	27.2
473.24005	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95173	0.9
54.46797	0.9
57.03448	9.7
59.01376	100.0
71.01368	24.7
73.02932	24.0
73.48695	1.0
75.99328	1.2
76.48565	1.3
83.01376	4.7
83.04999	1.3
85.02934	7.5
87.00844	1.8
89.02422	20.4
92.19935	1.9
99.00877	2.5
101.02417	30.6
113.02448	17.0
118.57439	1.3
119.03497	8.4
131.03456	4.3
143.03445	1.3
161.04520	7.2
179.05577	2.0
195.92357	1.1
209.15450	9.1
221.06528	2.3
247.08238	2.3
269.17548	2.1
373.64917	1.2
395.20721	2.0
413.21793	27.6
431.22885	25.3
473.23953	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	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10168	0.6
59.01378	100.0
60.61658	0.7
66.29755	0.8
71.01379	2.9
73.02938	1.5
85.02927	1.0
89.02449	1.3
89.83575	0.8
94.23306	0.9
101.02412	3.3
113.02413	1.1
115.96667	0.8
119.05009	0.8
130.08684	5.3
176.55713	0.8
200.33215	0.8
216.93805	0.7
235.23552	0.8
257.97073	0.8
268.03711	9.7
269.04626	1.0
368.03983	0.8
473.11005	6.6
473.24796	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	473.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81421	4.0
55.03004	4.6
57.87875	4.8
59.01382	100.0
88.92876	5.9
122.73370	6.3
180.21449	5.6
265.14487	5.2
363.91562	5.5
376.90546	6.2
479.25589	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	473.229
Annotation	XMD8-92
Peak:m/z	Relative Intensity
57.03431	3.4
59.01377	11.7
59.76682	1.6
60.23650	1.3
61.19481	1.2
63.63350	1.4
65.48468	1.4
69.61317	1.3
71.01366	2.0
73.02915	1.7
84.04507	3.3
99.05614	2.5
109.04052	6.9
119.04994	1.9
127.04157	2.4
127.05108	66.8
128.03560	10.8
137.97438	1.5
157.56273	2.2
163.07622	3.2
190.44516	1.7
227.06996	3.1
229.09737	1.8
231.11366	14.8
249.12440	100.0
253.04929	2.2
269.08194	43.4
374.56848	1.7
403.67764	1.5
473.22916	99.4
476.62866	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	473.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25472	1.0
59.01376	100.0
60.31109	1.2
60.98151	1.1
64.97265	1.7
65.80683	1.3
66.67037	1.6
67.66083	1.4
71.10048	1.3
74.61630	1.5
76.24648	1.4
90.56348	1.4
92.68272	1.4
107.19699	1.3
125.87341	1.9
152.99512	1.5
157.46915	1.5
160.84207	11.6
176.50566	1.4
228.81239	1.6
437.08990	8.7
446.20898	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	473.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
79.86652	0.7
85.02948	1.2
87.44263	0.9
106.35519	0.8
200.85393	0.9
305.23856	0.8
311.05978	0.8
413.19949	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	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21242	1.6
51.62877	1.6
53.84902	1.9
56.81258	1.8
59.01377	100.0
59.14082	1.8
71.01366	22.5
73.02925	15.8
85.02935	9.8
89.02444	23.8
101.02438	24.5
113.02438	14.4
119.03473	9.6
119.05016	3.8
122.18644	1.9
219.37584	1.9
225.14963	10.3
225.45941	2.4
237.09151	17.8
249.09215	11.7
281.08191	11.1
293.08197	14.9
303.45786	2.4
369.19107	29.6
387.20340	24.3
413.21338	2.3
429.21378	42.3
431.23334	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	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	2.2
57.86377	2.4
59.01375	100.0
67.47670	2.1
71.01392	25.5
71.75642	2.6
73.02927	12.6
83.01379	4.3
85.02937	13.2
87.37008	2.2
89.02422	25.3
101.02431	25.5
105.13898	2.2
111.36810	2.4
113.02430	11.7
119.03470	10.2
119.05029	3.6
148.07491	2.1
170.46411	2.4
225.14909	12.5
237.09271	26.6
249.09102	10.7
263.07065	3.3
281.08151	21.6
293.08209	22.7
369.19186	26.4
387.20169	33.1
413.22043	2.9
429.21301	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37383	1.1
51.35083	1.1
54.89176	1.0
59.01376	100.0
71.01369	21.6
73.02936	16.9
82.13800	1.1
82.18177	1.1
83.01369	2.7
84.47952	1.1
85.02940	7.0
89.02428	11.1
93.56533	1.1
101.02429	23.8
113.02416	11.5
119.03484	4.6
143.03520	1.4
145.11584	1.2
161.04555	4.8
163.11200	2.8
179.05629	2.1
225.11305	2.4
240.60838	1.2
269.17612	4.9
369.19089	8.1
380.65408	1.3
387.20306	7.2
413.22174	11.1
429.21713	14.2
431.22690	2.2
473.23996	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	473.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.3
59.01377	100.0
60.20546	3.8
71.01367	58.4
71.29257	3.3
72.46841	3.9
73.02936	17.6
83.01390	5.7
85.02948	30.8
85.34921	3.1
89.02432	15.2
91.76394	3.3
92.90513	4.0
95.01405	4.3
96.95992	5.5
99.00859	8.0
101.02430	48.1
113.02413	32.5
132.12166	3.5
143.28491	3.9
159.02937	4.5
161.04523	20.1
184.83658	3.5
269.10330	6.0
366.26196	5.2
431.15625	42.4
473.16400	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1816
Annotation	Gelliusine A
Peak:m/z	Relative Intensity
56.46612	1.1
57.06525	1.0
59.01097	2.6
59.01375	61.5
69.03437	1.3
71.01375	13.0
73.02913	7.2
79.26899	1.0
83.01369	1.9
85.02924	7.5
87.00826	1.8
89.02405	2.8
93.03438	1.5
96.95963	7.2
97.02945	1.4
97.26062	1.1
99.00817	1.4
101.02428	10.4
113.02387	6.4
121.58547	1.2
130.08725	1.8
131.51828	1.1
162.94682	1.0
216.19855	1.4
266.05710	1.8
267.06537	2.0
268.03760	10.2
269.04468	2.3
269.11823	100.0
311.12750	5.7
413.16254	27.1
413.21671	5.0
431.11469	2.1
431.17090	56.9
431.22864	2.1
473.10913	10.1
473.18011	74.2
473.24033	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	473.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44085	0.3
59.01393	4.1
60.85383	0.3
61.02547	0.3
62.15287	0.3
63.77127	0.3
76.17813	0.3
93.03455	0.5
103.86483	0.3
105.03462	0.4
119.05001	5.4
121.35465	0.3
145.42795	0.4
149.02434	2.3
163.04016	0.8
175.04034	2.2
183.08134	0.8
185.06105	0.8
225.05455	0.3
225.09181	3.0
227.07146	16.2
251.07195	1.3
253.05095	4.0
261.75000	0.4
269.08206	100.0
311.09412	0.4
337.01419	0.4
413.12543	0.5
473.14417	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	473.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56656	1.5
59.01377	51.7
92.19997	4.3
101.02441	1.8
116.92816	4.3
119.04996	3.9
123.04440	2.3
177.05484	2.9
178.02751	8.2
193.05043	7.5
227.07130	4.2
255.02858	1.9
269.08185	100.0
269.17770	1.9
457.28000	2.2
473.08084	2.4
473.14246	13.6
473.24127	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.3
59.01368	3.0
61.98825	3.4
72.77373	0.7
80.79028	0.7
88.37319	0.6
96.96007	8.2
99.04508	8.2
101.02443	5.1
108.02151	8.8
123.04504	9.8
125.02424	8.0
135.04533	1.4
136.16190	0.7
149.76352	0.7
152.01152	26.2
167.03482	100.0
217.91779	0.8
235.50310	0.8
248.09236	1.8
274.39151	0.7
329.08743	10.8
371.09833	5.5
376.00797	0.8
377.68060	0.9
410.14395	1.4
411.13055	1.0
418.34113	0.8
473.12924	9.8
473.19864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	44.6
70.87765	1.5
71.01382	9.3
73.02926	3.8
76.06544	1.4
85.02930	2.1
89.02422	3.4
93.03429	6.4
95.19561	1.5
101.02431	7.4
106.54112	1.5
113.02436	3.5
119.03521	1.9
119.05006	29.4
123.04465	2.2
133.06577	3.3
146.63155	1.7
161.04518	1.8
161.06061	8.9
163.03944	6.3
236.08609	2.7
237.09218	100.0
249.09206	53.0
251.16492	1.6
263.07202	12.6
267.06592	3.0
280.07404	6.4
281.08182	60.1
293.04544	43.6
293.08194	47.4
311.09128	18.6
413.22000	6.4
473.14505	68.4
473.23828	6.0
473.29211	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	473.1091
Annotation	Aristofolin A
Peak:m/z	Relative Intensity
59.01353	1.0
75.26064	0.7
91.78949	0.7
97.74123	0.7
120.53458	0.7
204.21837	0.7
230.63719	0.6
237.05685	0.9
237.09250	0.9
249.09512	0.9
265.05154	2.8
267.06604	10.3
293.04572	100.0
305.45007	0.7
383.22473	0.9
473.10934	3.3
495.83972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12418	2.0
59.01363	3.9
89.02458	3.2
109.02914	26.8
120.46607	2.0
133.02916	3.0
135.04512	100.0
149.06064	37.9
157.67207	2.1
161.01208	3.0
161.02438	56.7
161.04514	3.6
161.06029	5.3
166.83792	2.2
173.06075	2.6
175.04070	2.2
177.05618	16.6
179.03462	27.5
189.05568	37.4
191.07253	3.3
207.06650	33.3
219.06731	3.7
221.04524	33.7
231.06610	9.7
235.06050	13.7
239.05490	7.8
311.07709	12.7
359.15863	2.2
383.10007	2.9
401.10883	8.7
413.10864	13.9
443.11920	4.7
453.02597	2.6
473.12518	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39198	0.7
56.41599	0.8
59.01376	4.8
71.01363	2.4
73.02955	1.3
81.72020	0.9
87.64297	1.1
96.96009	1.1
107.04994	1.1
117.03474	4.3
118.23431	0.9
250.54327	1.0
265.05106	1.4
266.05856	74.7
267.06631	100.0
366.77243	1.1
429.11819	32.4
473.10886	11.4
484.78540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.109
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.35166	0.5
59.01377	22.3
61.98806	0.8
65.86416	0.6
71.01393	0.8
73.02927	1.2
76.20924	0.6
81.26975	0.6
85.02939	0.7
89.02438	0.7
99.04546	0.7
101.02444	1.5
125.27272	0.7
143.47069	0.6
148.03941	1.2
150.05537	1.0
175.05069	1.1
176.05278	0.6
182.47211	0.6
191.00914	0.6
205.40630	0.8
231.65547	0.7
233.09224	0.7
268.03763	100.0
269.04553	22.3
287.14084	0.8
305.11594	0.9
306.11746	0.9
342.00543	0.8
473.10876	55.4
473.23953	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	473.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.3
71.01389	4.5
71.87771	1.5
73.02917	2.3
78.15151	1.3
83.01377	2.6
85.02925	1.5
89.02457	1.3
93.03439	17.4
96.96016	2.2
101.02410	2.5
107.21586	1.2
107.97688	1.2
109.41273	1.1
130.86046	1.3
149.02403	1.9
163.27318	1.4
179.20714	1.1
187.04022	6.0
189.05553	18.6
194.17937	1.3
203.03448	5.9
215.03438	16.6
222.45360	1.3
230.02107	5.6
231.02942	5.6
233.04591	2.5
243.06656	9.2
259.02463	100.0
269.04474	15.5
289.03571	2.0
297.07690	4.8
325.07159	2.5
353.06686	89.7
379.06158	1.3
383.07489	1.4
429.13937	3.1
473.10938	45.6
473.16937	2.4
473.24664	5.6
497.20935	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	473.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10612	0.3
59.01088	0.5
59.01376	13.4
68.69386	0.4
71.01366	1.7
73.02914	0.5
85.02943	0.4
89.19440	0.4
93.03436	0.9
99.00819	0.4
99.92579	3.3
100.93352	7.2
101.02403	0.8
103.43648	0.4
115.92063	5.4
116.92841	51.7
117.81609	0.4
119.05008	5.8
140.92816	0.8
149.02399	2.6
161.04482	0.5
163.04016	0.6
175.03975	1.9
183.08131	0.9
184.91766	0.5
185.06140	0.4
225.09213	2.5
227.07129	6.7
269.08182	100.0
293.95001	0.5
369.06418	1.7
387.07571	0.8
429.08630	2.6
437.05405	0.5
473.07635	15.2
473.14261	1.0
473.23880	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	473.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46793	1.1
71.01415	1.2
71.93488	1.3
72.78586	1.4
81.03436	13.0
83.01391	9.5
94.40855	1.2
96.95978	12.0
97.02925	23.1
99.04505	22.2
108.75727	1.5
115.03989	5.6
120.01205	2.3
123.04501	7.5
124.69989	1.5
125.02421	100.0
127.00332	5.8
143.03468	19.1
157.05048	6.5
159.02965	38.2
161.58015	1.4
165.05569	17.4
177.05650	1.5
187.02464	51.3
187.04114	2.2
189.05600	2.5
196.55124	1.2
219.05081	95.1
350.71857	1.2
435.04913	1.5
473.13333	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	473.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10612	0.3
59.01088	0.5
59.01376	13.4
68.69386	0.4
71.01366	1.7
73.02914	0.5
85.02943	0.4
89.19440	0.4
93.03436	0.9
99.00819	0.4
99.92579	3.3
100.93352	7.2
101.02403	0.8
103.43648	0.4
115.92063	5.4
116.92841	51.7
117.81609	0.4
119.05008	5.8
140.92816	0.8
149.02399	2.6
161.04482	0.5
163.04016	0.6
175.03975	1.9
183.08131	0.9
184.91766	0.5
185.06140	0.4
225.09213	2.5
227.07129	6.7
269.08182	100.0
293.95001	0.5
369.06418	1.7
387.07571	0.8
429.08630	2.6
437.05405	0.5
473.07635	15.2
473.14261	1.0
473.23880	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	472.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	9.2
59.93839	1.3
67.54777	1.2
91.96159	1.3
92.19381	1.4
130.08717	100.0
139.07880	1.4
165.29155	1.4
172.44365	1.1
179.05269	1.7
361.10220	1.4
437.54053	1.4
472.25574	42.2
480.75546	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	472.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29919	1.0
59.01379	14.1
63.75174	1.3
65.44762	1.1
71.01385	7.4
73.51173	1.3
89.02440	22.3
90.42350	1.3
101.02431	7.2
107.38011	1.4
113.02425	5.9
119.03480	2.6
120.26186	1.3
120.42079	1.2
128.33684	1.4
130.08728	100.0
151.22949	1.7
161.04591	1.5
175.26678	1.5
179.05713	1.5
192.97940	1.3
192.99927	1.4
211.27620	1.3
232.98940	2.0
233.09314	2.8
272.97397	1.5
325.57407	1.5
341.10861	30.2
472.16287	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	472.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	4.2
63.02142	0.8
78.06149	0.8
92.19388	1.2
106.20927	0.8
109.02930	2.0
114.05017	0.9
115.08736	1.5
121.02922	13.0
125.42673	0.9
135.04507	3.9
137.06087	2.1
163.03993	5.7
186.16072	5.2
210.86424	0.9
228.17128	7.3
308.19806	69.3
320.46014	0.9
350.20801	31.5
367.10300	1.0
472.24469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1586
Annotation	Raloxifene
Peak:m/z	Relative Intensity
58.11903	1.1
59.63979	1.2
67.72472	1.2
84.89505	1.2
92.05029	2.4
95.29080	1.5
96.96018	1.6
106.04080	5.5
115.22443	1.2
120.65417	1.3
126.06712	7.8
128.03517	28.1
133.80785	1.2
135.05618	2.9
136.04033	2.2
146.04594	3.0
147.05579	2.1
148.04013	16.4
151.06348	1.4
154.58833	1.5
163.06238	9.1
164.20058	1.5
177.10300	8.1
182.97881	1.4
189.10329	8.4
214.48933	1.3
220.02228	1.4
221.09280	12.7
223.39629	1.2
233.09314	25.5
258.08902	1.6
275.11487	7.7
284.09256	1.3
300.11005	19.1
343.11407	2.6
350.05286	1.3
360.16794	5.5
368.81592	1.4
385.16153	8.3
404.15674	12.6
429.14838	1.8
472.15854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64436	0.5
54.10571	0.6
61.98828	100.0
79.94392	0.5
82.51779	0.6
113.19781	0.6
156.44278	0.8
161.22218	0.8
201.79572	0.7
211.04590	0.6
274.78851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62893	0.7
60.23171	0.7
74.08002	0.9
92.05054	0.8
96.83810	0.8
96.96002	3.8
107.90996	0.7
111.03089	0.8
116.38488	0.8
116.62201	0.9
122.03702	2.8
123.04507	36.1
126.06714	1.3
128.03503	10.6
128.99692	1.0
136.04051	1.2
146.04536	1.7
147.05600	0.9
148.04042	4.7
150.03230	1.3
150.24203	0.8
163.06221	3.4
165.05545	100.0
177.10254	1.3
183.11919	1.2
207.61797	0.9
221.09338	3.2
233.09328	10.2
253.03529	6.9
275.11377	1.0
277.08359	0.9
300.11038	6.6
300.70224	0.9
360.16586	1.0
385.16364	1.1
404.15747	4.7
472.15887	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17982	6.3
59.01369	7.2
60.40905	6.2
71.09109	7.2
86.24831	6.3
95.03398	7.2
101.26702	8.7
105.48862	7.2
114.80898	7.9
159.22975	9.7
249.06111	7.2
336.38593	8.4
357.10907	7.4
471.34894	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	471.3482
Annotation	Odoratone
Peak:m/z	Relative Intensity
78.95993	0.4
86.87830	0.5
92.20008	1.0
100.11350	0.5
120.79321	0.5
149.88120	0.5
185.60876	0.5
226.19231	0.4
281.74194	0.5
470.43356	0.5
471.34821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	4.8
62.42721	2.9
74.02466	14.8
87.42509	3.9
91.80902	3.3
99.05644	6.3
100.00396	13.7
128.03526	54.5
133.72426	3.0
135.05681	3.3
143.04611	66.2
146.04561	16.3
153.01924	21.3
156.99644	7.3
166.09692	3.3
166.27878	3.3
168.96074	3.8
169.96771	5.2
179.04518	4.6
181.03796	6.1
182.99899	13.3
183.96834	6.2
183.98352	100.0
184.99196	12.5
185.99895	16.2
194.99956	16.5
198.02284	5.3
199.00664	49.4
210.02280	15.3
252.02098	21.0
254.07793	5.9
255.75198	3.4
267.04483	32.3
272.08871	52.1
281.96219	3.3
311.03369	28.2
472.10413	41.6
472.24512	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	471.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51284	2.6
54.16636	2.9
57.11631	2.7
59.01375	100.0
67.39652	3.4
68.63532	3.5
91.03996	4.0
109.63970	3.4
112.39711	3.3
124.94346	3.4
133.72638	3.9
261.26590	3.2
337.23837	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	471.348
Annotation	Hispidone
Peak:m/z	Relative Intensity
53.26837	0.6
55.32352	0.6
57.23638	0.6
57.36097	0.7
61.30378	0.6
64.73483	0.7
70.75098	0.7
71.05009	1.2
81.70209	0.6
84.07558	0.7
87.51141	0.7
99.08764	0.7
111.52266	0.8
120.17173	0.7
129.29881	0.7
137.03561	0.7
187.47604	0.7
243.51857	0.7
299.10672	0.9
303.23315	5.4
411.32587	2.9
412.54324	0.9
427.35626	1.3
441.33649	1.0
451.32114	1.8
453.33749	26.0
463.71796	0.8
471.34802	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	471.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
62.32322	5.6
64.28770	5.8
66.50246	6.6
73.15791	6.0
79.01818	6.5
84.23186	6.4
97.34767	6.1
115.10091	6.6
151.42784	6.9
231.88857	6.5
243.44553	8.5
319.22824	37.6
337.23795	37.3
341.48807	6.6
471.31100	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	471.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43605	5.3
53.60516	5.0
55.71729	5.4
59.01380	100.0
86.23977	6.4
92.19249	6.5
148.94075	6.6
158.76637	6.0
168.21281	6.2
215.93863	6.2
309.76422	6.1
337.23865	37.8
378.13245	6.5
403.57724	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	471.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12513	1.9
51.86432	2.3
52.98899	2.3
54.05235	2.2
54.57490	2.4
55.01867	3.1
59.01373	44.2
69.03437	2.7
73.57446	2.3
85.02941	4.5
85.51835	2.3
87.04492	37.6
135.06628	96.1
154.36844	2.6
157.10411	2.6
157.11758	2.3
203.25092	2.4
221.15454	100.0
389.54965	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	471.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.8
59.96787	0.7
66.25513	0.8
74.02485	1.1
79.79222	0.9
80.65544	0.8
88.56367	0.9
96.04523	2.0
98.06114	4.1
110.06115	1.8
116.05037	17.9
118.77852	0.8
124.07661	13.0
132.89487	1.0
136.04019	0.9
137.04819	4.6
155.05869	3.6
157.07671	9.8
187.12372	16.9
203.08253	3.6
239.11975	1.6
284.11642	5.9
313.63483	0.9
332.61044	0.9
343.03732	1.1
354.56894	1.0
471.24036	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	471.2402
Annotation	Lucidenic acid K
Peak:m/z	Relative Intensity
50.95229	0.6
54.48175	0.7
57.55732	0.7
98.06092	3.4
104.51737	0.8
108.25645	0.8
110.06081	1.9
112.00154	0.8
116.05044	12.6
124.07665	13.5
137.04823	5.6
153.17488	0.8
155.05827	1.1
157.07661	9.1
187.12445	11.5
189.61462	0.9
210.38193	0.9
234.54344	0.9
239.11772	3.2
284.11761	6.6
308.53888	0.9
332.58514	1.0
335.95993	0.9
342.17996	1.1
425.05392	0.9
471.24026	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64057	0.5
59.01376	100.0
71.00980	0.8
71.01369	20.8
73.02934	11.3
83.01385	0.8
83.06500	0.6
84.27406	0.5
85.02935	5.1
87.00877	0.6
89.02431	20.0
95.01343	1.3
101.02429	17.3
113.02425	11.9
119.03481	8.5
131.03467	0.9
143.03519	0.7
149.04510	1.0
161.04533	5.0
179.05609	3.6
249.15013	0.8
267.15970	1.0
368.03134	0.6
411.20206	8.0
429.21268	3.1
471.22235	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	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93764	0.8
59.01379	100.0
66.07627	0.8
71.01376	1.3
83.52914	0.9
85.02922	1.0
92.19994	1.0
94.05136	0.8
113.02426	0.8
126.73748	0.9
142.80025	0.9
257.14703	0.8
453.27094	1.0
471.22189	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	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03332	2.0
59.01380	100.0
59.46214	1.9
62.96358	2.2
65.64420	2.0
68.95058	2.0
71.01357	3.1
73.02941	4.2
76.60222	2.4
79.66251	2.5
101.02410	3.1
105.69742	2.3
110.11462	2.5
110.46030	2.5
183.05139	2.9
291.96286	2.4
424.64999	2.5
471.23056	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
71.01377	16.3
73.02939	5.7
83.01401	1.9
85.02946	6.0
86.71510	1.4
89.02428	17.0
99.29663	1.3
101.02450	10.2
103.21426	1.2
103.74864	1.3
113.02428	11.3
119.03474	7.2
135.04460	1.6
136.78485	1.2
161.04518	1.9
162.41420	1.4
171.62662	1.3
179.05574	2.8
192.38528	1.3
229.63358	1.4
248.11671	1.5
411.20065	9.2
429.21201	2.2
471.23120	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	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89752	1.0
51.39133	0.9
57.03458	1.6
57.06173	1.1
59.01376	100.0
71.01364	20.1
73.02930	19.1
83.01365	2.6
83.05014	7.6
85.02948	6.2
87.00870	17.0
89.02425	6.2
95.01367	2.2
97.06577	29.8
99.00855	1.4
101.02426	19.3
113.02446	11.3
119.03446	1.6
139.07553	3.5
151.07628	2.0
161.04520	8.7
165.05502	1.6
169.08670	7.0
193.05063	1.3
201.12883	2.9
267.16003	49.3
309.16962	4.4
411.20169	2.5
470.74335	1.4
471.16281	1.9
471.22516	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25888	0.9
58.79333	0.9
59.01377	100.0
71.01381	15.3
73.02943	9.6
81.88103	1.0
82.52345	1.0
83.01353	1.6
85.02928	5.6
89.02425	11.9
101.02411	11.4
113.02453	13.6
119.03443	4.2
143.03484	1.3
150.98428	1.1
161.04520	4.4
174.59344	1.0
179.05629	1.1
207.18980	1.1
229.46031	1.0
411.20270	10.6
429.21210	6.0
440.45660	1.1
441.43674	1.1
471.22409	11.5
476.26614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28523	0.7
52.92936	0.8
55.20729	0.8
56.73592	0.8
59.01380	100.0
63.84089	0.8
71.01368	13.3
73.02939	10.6
73.15854	1.0
83.01369	1.8
85.02932	2.1
89.02424	14.1
95.97906	0.8
101.02430	11.8
113.02424	10.3
119.03503	3.6
128.75406	0.8
135.04515	8.3
136.04832	1.8
143.03503	0.8
161.04523	4.0
179.05566	2.2
276.37460	0.9
287.57483	1.1
373.79190	0.9
389.75067	0.9
411.20129	4.7
429.21005	3.0
471.22928	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	471.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59958	2.5
59.01381	49.8
60.94425	3.0
65.03955	3.0
71.01367	19.5
71.32998	3.3
73.02934	43.0
77.59741	2.8
81.03418	3.8
83.01391	5.6
83.05015	14.6
89.02428	4.8
93.03448	79.0
93.77034	3.5
97.02922	22.4
98.03697	4.1
101.02426	19.2
111.04511	49.1
113.02441	4.1
119.03498	3.0
120.06564	2.7
137.02440	100.0
155.03522	57.9
161.04594	5.0
201.10326	6.3
221.06615	4.0
222.27034	3.1
239.93094	3.3
242.25478	3.2
256.15662	3.6
300.14752	32.0
315.17178	23.5
411.19931	4.4
456.19116	26.8
471.15323	6.3
471.21387	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35014	2.1
59.01382	100.0
63.56507	2.1
64.73930	2.1
66.33398	2.0
71.01379	34.2
72.47960	2.8
72.99322	2.4
73.02939	99.9
74.68614	2.1
75.80707	2.2
80.96500	2.8
83.01365	14.9
83.04996	3.1
83.52345	2.3
85.02946	2.8
89.02430	11.8
93.03444	21.3
97.02930	11.1
101.02438	53.6
111.04499	15.0
113.02430	14.6
120.99654	2.4
131.03490	4.9
137.02409	28.8
141.77191	2.4
149.04541	4.6
155.03487	11.8
161.04552	9.9
162.39148	3.1
172.35988	2.1
221.06609	4.9
300.14780	11.0
315.17157	3.4
456.18820	4.9
471.15146	10.4
471.21393	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.38685	3.5
62.09764	3.3
63.19640	3.5
65.54604	3.6
71.01369	22.9
73.02930	35.7
85.02964	5.3
89.02421	6.7
92.19341	4.4
96.18610	3.5
97.78934	4.2
101.02441	18.2
110.39785	3.8
113.02454	9.0
113.81793	4.0
143.98044	4.1
152.08379	16.1
153.09195	67.6
164.19057	3.5
181.75914	3.6
205.12296	21.4
222.07529	4.0
223.13338	7.2
266.04666	4.7
367.17538	20.9
427.19751	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	471.172
Annotation	Cys-Phe-Phe-Gly
Peak:m/z	Relative Intensity
50.78846	1.0
56.67445	1.0
59.01379	25.8
71.01374	29.4
73.02939	9.5
83.01376	1.4
85.02947	5.8
86.00106	1.0
87.00862	5.7
89.02430	29.2
95.01392	1.8
96.95991	5.1
99.00860	1.5
101.02431	33.7
113.02433	17.8
114.81925	1.1
119.03482	12.2
129.05571	6.7
131.03505	17.9
134.08598	1.0
143.03484	2.5
144.40201	1.1
159.03018	4.6
161.04552	24.7
179.05617	6.5
195.11429	1.0
221.06693	21.6
263.07877	1.7
439.47260	1.1
471.17236	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	471.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01500	0.9
58.51473	1.0
58.64389	1.0
59.01379	8.6
66.51219	1.2
70.81047	1.1
71.01368	1.3
73.02930	2.4
101.02415	1.9
120.41659	1.2
123.04523	1.5
127.05109	2.3
134.03654	1.7
217.41516	1.2
254.05717	14.0
269.08289	10.5
294.07553	1.4
296.05560	7.8
297.06177	1.5
310.07211	26.4
312.08786	10.5
313.07281	1.3
322.07813	1.2
324.08762	11.3
337.09451	1.8
338.10339	1.8
339.09897	1.9
352.11819	2.6
367.09250	9.6
379.13062	30.7
382.11691	21.8
397.14093	8.4
423.12036	2.1
453.13071	12.9
471.14020	100.0
471.21558	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	470.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62736	0.5
57.36070	0.5
65.13228	0.5
74.77354	0.5
75.43719	0.5
75.44291	0.5
75.72859	0.6
80.08140	0.6
88.08171	0.6
91.18300	0.6
99.05624	2.2
101.25220	0.6
101.94270	0.6
103.48331	0.6
121.02924	6.5
135.04509	100.0
143.67093	0.7
161.02408	5.4
231.11147	0.9
291.17209	9.9
308.19861	6.5
309.23773	0.6
334.17703	18.6
358.79340	0.8
404.03342	0.6
470.22931	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20078	0.6
59.01368	1.0
61.83198	0.6
99.05640	1.2
115.92316	0.7
121.02973	5.2
135.04517	100.0
137.06021	0.8
150.44987	0.8
161.02383	5.6
181.29593	0.8
195.67174	0.6
257.09308	3.9
291.17181	13.6
308.19861	4.2
334.17740	15.2
470.22977	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.89343	0.4
62.94507	0.4
99.20387	0.5
123.15784	0.5
128.03519	100.0
129.21812	0.4
129.32275	0.5
152.88910	0.5
154.28227	0.6
155.21530	0.5
182.18719	0.5
229.43750	0.5
270.15689	0.5
278.27631	0.5
296.97424	0.5
354.56891	0.5
470.15393	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	470.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
63.27707	0.5
82.94296	0.4
85.59042	0.5
88.94290	0.5
121.02956	0.9
128.10796	0.9
130.08722	100.0
135.04521	7.7
154.08760	1.0
177.05540	2.9
180.77592	0.5
232.13359	2.2
248.03470	0.5
249.13722	8.5
264.15985	6.1
290.13947	1.0
308.15060	27.1
470.20303	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	470.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42041	0.5
56.00307	0.5
59.01377	0.5
59.68431	0.5
61.98825	100.0
74.02027	0.6
85.95364	0.5
338.18420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56340	1.0
71.01369	11.5
82.48997	1.2
96.37467	1.7
96.95982	7.9
98.02465	1.2
114.01939	29.4
115.00357	17.6
120.32631	1.3
123.04487	2.8
131.42458	1.4
132.03008	30.2
134.03700	20.7
149.06061	46.9
174.05498	1.9
175.03934	5.3
176.27081	1.3
177.04265	11.7
178.02682	2.7
181.55078	1.5
187.06422	1.5
192.06689	24.7
193.05037	15.6
205.07390	1.3
219.17224	1.3
220.09547	1.3
223.94763	1.3
246.07701	2.5
264.08749	5.6
289.45267	1.3
308.07712	5.8
354.89008	1.3
470.13013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	6.2
60.30080	1.1
74.02460	19.7
86.02450	9.2
87.05589	1.3
96.96003	11.0
98.95572	2.1
99.05629	19.7
101.07180	2.7
102.07651	1.2
105.67487	1.5
112.04037	1.8
128.03526	58.6
135.05600	2.5
139.99371	2.0
141.06725	1.7
143.04613	85.9
145.06198	1.9
146.04568	6.7
153.06712	2.2
158.18521	1.5
163.03981	22.0
166.09778	2.7
167.04533	2.0
167.54506	1.2
179.04596	12.7
181.06290	2.2
184.10915	1.7
197.02769	100.0
210.08817	13.5
254.07829	11.2
270.39651	1.2
272.08871	91.2
292.89600	1.2
470.12424	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	469.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79491	2.3
57.21180	2.2
59.01378	100.0
61.05037	2.6
62.73409	2.4
63.04366	2.2
65.17382	2.4
71.82353	2.3
78.27874	3.0
87.39600	2.3
105.89058	2.5
119.15345	2.5
129.46645	2.6
129.63411	2.4
235.13368	3.1
283.23431	3.6
335.22296	10.2
357.31342	2.7
472.31696	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	469.3323
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.45780	0.5
59.41770	0.5
66.30256	0.6
70.25436	0.5
77.83826	0.6
85.61666	0.7
92.20007	1.1
92.66997	0.5
93.81563	0.6
107.53630	0.6
139.99084	0.6
145.94302	0.6
145.95514	0.6
248.01683	0.6
255.23360	4.0
313.79895	0.6
407.33057	1.0
423.32300	0.8
469.33240	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	469.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69043	1.1
56.71385	1.2
58.04073	1.2
59.01377	100.0
64.17818	1.3
70.58332	1.1
82.96508	1.2
91.54366	1.3
116.92876	1.8
134.91862	1.1
235.13461	2.3
242.74738	1.4
317.21170	3.0
335.22382	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	469.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70295	1.9
55.21400	1.9
59.01377	100.0
64.24561	2.0
71.01374	26.3
73.02941	45.4
74.99093	10.6
77.89758	1.9
83.01383	8.2
83.05039	3.7
85.02927	8.0
89.02433	15.3
101.02428	40.7
104.57189	1.9
110.08284	2.0
113.02437	28.9
116.02006	1.9
119.03439	4.2
128.49576	2.7
136.99170	8.7
143.03503	2.0
149.04567	4.0
151.07637	19.2
152.98213	2.4
161.04532	12.2
163.11302	4.1
163.84782	2.1
168.07898	68.6
168.66229	2.5
177.09169	4.6
203.10732	13.5
217.12337	8.7
229.12289	15.4
247.13432	21.9
265.14529	2.6
307.70175	2.2
360.05609	2.4
409.18765	3.7
418.74530	2.2
469.18195	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	469.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14400	1.2
59.01378	100.0
61.78780	1.6
71.01369	22.9
73.02934	75.0
77.83064	1.3
83.01366	12.4
85.02927	3.4
89.02435	9.9
92.62936	1.3
101.02431	54.3
103.86068	1.4
109.06553	6.0
112.29002	1.5
113.02431	19.4
119.03429	2.3
131.03462	2.2
148.90829	1.5
149.04518	6.3
150.06909	1.7
151.07619	14.9
161.04562	16.6
165.09193	9.9
176.05745	1.5
177.09238	3.6
179.07733	1.4
186.35175	1.4
187.11221	1.7
203.10786	2.1
214.10016	6.2
221.06613	2.2
229.12283	16.3
247.13348	19.8
427.19083	1.6
469.20773	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
64.04855	2.8
69.67961	3.5
71.01373	30.0
73.02927	13.2
83.01389	4.2
85.02950	15.8
87.20161	4.0
89.02435	14.3
92.19961	4.0
101.02421	25.0
108.19096	2.9
113.02431	17.1
119.03489	4.8
149.02190	4.8
247.13393	3.2
288.65244	3.4
309.07547	3.4
389.42307	3.4
409.18658	17.8
447.87427	3.1
469.20547	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57170	1.7
59.01080	4.2
59.01377	100.0
59.08524	2.0
71.01366	20.7
73.02926	18.9
83.01410	3.0
83.05015	4.4
85.02937	16.0
89.02428	8.3
97.02937	2.6
101.02432	19.8
113.02442	23.1
121.06550	15.9
122.03714	2.5
136.05212	2.2
137.06104	2.7
139.07613	13.7
161.04538	8.6
168.07880	37.6
173.09673	3.8
175.11330	2.0
189.12801	3.7
217.12292	23.5
235.13380	12.3
247.13307	13.2
262.53558	2.2
265.14420	27.5
271.82248	2.3
309.86148	2.2
376.92822	2.0
379.17581	2.6
395.86624	2.4
409.18527	19.9
416.74615	2.1
459.07614	2.3
469.20483	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	469.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.33192	1.1
71.01376	27.2
73.02941	10.0
76.28923	1.3
80.79877	1.2
83.01385	5.3
83.08575	1.2
85.02940	12.8
85.38973	1.2
87.00849	1.5
89.02429	16.4
99.00887	3.1
101.02436	28.4
105.73151	1.1
108.15595	1.2
113.02437	17.2
118.00432	1.3
119.03472	7.5
122.22495	1.2
155.26039	1.5
160.80048	1.3
161.04556	2.8
227.88370	1.3
239.97932	1.2
342.81271	1.4
365.19748	14.8
407.20798	2.5
451.19824	6.2
469.20874	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64248	2.3
58.71433	2.6
59.01373	100.0
63.47070	2.5
66.49965	2.6
71.01379	28.3
71.36910	2.6
73.02583	3.0
73.02924	29.8
77.45123	2.8
80.40114	3.1
83.01381	5.4
83.05009	5.6
83.81946	2.9
85.02940	13.2
89.02423	13.5
101.02430	28.5
107.05058	3.7
113.02416	17.3
119.03513	3.0
121.06579	6.5
135.04495	20.1
136.04823	4.4
139.07610	19.6
158.28186	3.1
159.08121	6.1
161.04510	4.9
163.04002	4.4
168.07866	20.7
173.09769	3.4
177.09312	4.3
189.12686	3.9
191.04626	2.8
203.03430	4.7
217.12292	12.0
229.12355	20.3
235.13303	11.1
247.13336	19.4
249.12071	4.5
265.14572	21.6
310.91998	3.1
357.49057	3.1
409.18530	6.0
425.14926	2.9
469.22278	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	469.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60580	9.7
63.01611	9.5
66.10999	11.7
66.19989	11.6
78.26147	9.7
96.96022	14.8
153.03444	11.1
198.97542	10.1
228.38637	11.4
280.68634	10.7
352.47470	12.7
373.54239	12.7
412.31271	15.0
469.19412	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	469.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.0
71.01378	1.8
75.02732	1.8
78.91936	1.9
95.02501	4.3
96.95968	7.7
101.02408	4.2
113.03580	4.5
124.03999	3.2
127.05098	21.6
130.06165	13.1
156.04166	4.3
166.06168	10.1
167.04568	22.1
170.05717	2.6
180.10295	3.1
181.06375	2.3
184.07262	55.2
186.12498	2.8
187.08368	2.6
198.08949	3.2
220.75081	1.8
224.06836	2.7
241.09407	3.0
274.53836	1.7
298.11530	46.5
352.46945	2.0
409.16855	3.2
451.19559	4.6
462.04260	1.9
469.20520	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	469.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29902	1.0
59.01380	22.2
71.01379	21.1
73.02933	4.6
83.01419	1.4
83.79743	1.0
85.02943	2.3
87.00835	1.0
89.02443	21.8
94.00565	1.0
96.96016	9.2
98.95563	1.0
99.00869	1.2
101.02430	17.0
113.02467	10.7
119.03483	8.5
127.07623	9.6
131.03510	4.2
143.27887	1.0
145.08687	16.2
149.95137	0.9
161.04553	6.1
189.78400	1.1
203.03406	0.9
243.30644	1.0
266.38660	1.0
289.12943	2.1
307.14023	30.1
469.19272	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	469.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08114	1.1
56.62149	1.3
59.01361	3.1
74.54724	1.1
76.89555	1.2
78.13094	1.1
82.02980	3.2
84.04523	2.0
91.05505	1.3
99.05624	17.1
106.02676	1.5
109.32997	1.2
109.78714	1.3
122.38780	1.3
127.05090	1.8
128.06924	1.5
139.05069	1.4
177.05504	1.8
179.07175	1.6
192.07957	15.9
234.07771	5.4
236.09300	9.6
238.10896	2.1
248.09370	4.8
274.07190	2.6
291.10034	2.6
303.13403	13.0
304.12039	2.4
306.12143	2.1
321.14417	12.1
395.16327	4.9
451.18756	8.1
469.19781	100.0
487.72342	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	469.1927
Annotation	Coroglaucigenin 3-O-sulfate
Peak:m/z	Relative Intensity
51.85672	0.9
59.01377	36.6
59.47564	1.2
63.27791	0.9
63.80219	0.9
67.60989	1.0
68.84458	1.3
71.01370	32.2
73.02908	6.8
74.25171	0.9
83.01337	5.1
85.02946	9.7
87.00827	4.7
89.02428	29.4
95.01365	1.8
96.95982	1.5
99.00855	2.4
99.08089	4.6
101.02431	33.5
113.01700	1.3
113.02425	23.6
119.03506	12.9
125.02348	2.3
131.03485	12.9
143.03453	1.5
145.08687	23.1
159.02946	2.4
161.04549	19.7
179.05511	5.5
221.06660	16.3
250.16275	1.3
272.69202	1.3
299.45499	1.1
307.14050	2.3
307.17426	6.2
469.18839	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	469.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	57.3
66.53519	1.5
71.01054	2.0
71.01376	36.7
73.02908	3.2
83.05005	13.5
85.02912	8.9
87.00867	2.0
89.01905	2.7
89.02428	65.7
95.01333	2.4
96.96003	15.5
101.01801	2.0
101.02428	38.9
101.06055	19.3
113.02441	21.4
119.03473	26.5
124.35144	1.7
127.03996	3.9
131.03357	2.0
143.03401	2.6
145.05052	28.5
161.04498	6.8
179.05469	9.2
307.13647	2.1
341.10941	28.5
343.61496	1.7
345.04324	1.8
350.02243	1.7
398.65625	1.8
427.18173	3.0
469.15298	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	468.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70341	1.3
54.14806	1.2
58.20468	1.4
59.44694	1.3
71.01376	9.0
71.05006	3.0
88.04028	91.0
92.19939	2.2
103.50940	1.2
135.04507	18.4
146.08224	54.2
162.26070	1.3
175.18126	1.3
206.83398	1.5
218.10329	87.2
249.12445	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	469.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16504	1.2
59.01377	66.9
70.05544	1.4
82.99946	1.5
98.20625	1.4
141.01685	100.0
202.03674	1.4
202.59856	1.4
210.90004	1.7
214.76123	1.5
223.02014	10.2
305.02332	11.7
308.43933	1.5
322.91763	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	468.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92899	0.6
65.26360	0.6
71.01390	0.8
75.77747	0.7
85.44811	0.6
96.95988	2.8
107.05017	0.9
115.19416	0.6
126.49831	0.6
133.02925	1.4
134.19051	0.7
134.37895	0.7
135.04512	100.0
161.02425	11.4
177.04245	1.5
242.54518	0.7
287.52921	0.7
289.15588	21.7
306.18234	20.7
324.43146	0.8
332.16162	37.2
414.15384	0.7
468.21396	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46374	0.7
59.01372	5.9
59.26957	0.8
63.10110	0.7
71.01373	5.5
85.02949	1.1
89.02417	3.8
101.02418	4.2
101.83881	1.0
113.02425	1.1
115.06486	0.9
128.03682	0.9
133.02968	1.9
135.04512	100.0
161.02431	10.6
179.05598	1.6
180.28871	1.0
250.91240	0.8
261.12347	1.5
272.82806	0.9
280.30014	0.9
289.15564	19.2
306.18259	23.2
332.16150	42.6
468.21460	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23348	0.4
53.80038	0.4
56.01426	0.5
57.82706	0.5
59.01416	0.6
69.82300	0.5
79.84328	0.6
90.49338	0.6
133.02914	1.0
135.04510	100.0
161.02422	11.7
200.36600	0.6
289.15601	21.3
304.16507	0.6
306.18225	23.8
332.16156	44.5
349.55103	0.6
468.21411	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89919	0.3
59.15640	0.3
134.03697	0.4
135.04512	100.0
148.05321	0.9
161.02408	4.0
177.04323	0.5
178.04851	0.4
190.08769	0.4
204.06654	0.9
204.54300	0.4
218.08224	1.8
247.10883	6.2
248.11650	33.4
289.15579	5.6
295.56726	0.3
306.18283	4.2
332.16156	24.4
332.37582	0.3
468.21390	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47314	4.2
56.39448	4.8
61.98820	39.6
66.41393	4.3
72.56089	4.4
84.97012	5.0
92.05759	6.1
125.33906	5.2
134.99779	5.1
144.69897	4.9
148.04013	26.3
161.04817	100.0
175.05107	55.9
176.06027	8.4
183.46268	4.6
202.08725	9.8
203.04575	25.0
228.18277	5.9
244.09839	96.5
338.11230	7.5
373.18765	5.9
468.17624	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	467.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36662	1.5
55.88154	2.2
59.01366	3.2
63.87429	1.8
70.70833	2.0
70.98067	1.8
71.91817	2.0
83.05017	8.4
100.07671	37.7
101.02434	2.2
101.06073	100.0
112.07679	32.6
112.12309	2.0
143.10857	2.4
195.14996	10.4
196.13445	19.7
207.15108	3.2
224.17715	9.2
225.16107	11.7
253.85841	1.8
269.08353	2.4
281.00696	2.2
305.13834	2.0
337.26187	2.2
421.20789	3.1
421.31885	12.8
439.32809	19.5
467.32391	93.7
477.27878	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	467.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94727	1.8
55.01862	3.0
57.03441	3.8
59.01381	62.3
71.01373	60.6
73.02938	24.1
74.95737	2.2
83.01376	12.0
85.02943	35.9
89.02408	18.0
95.01385	3.1
99.00859	4.9
101.02428	62.5
104.65830	2.5
111.40935	2.1
113.02425	32.5
125.02457	4.6
125.66450	2.3
159.02901	2.5
161.04616	20.2
245.16708	2.2
263.14944	14.7
264.59332	2.3
425.20248	51.6
467.21326	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	467.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23238	2.7
51.42570	3.7
55.01871	3.3
59.01375	66.4
60.52534	2.8
61.43932	2.7
63.99355	2.7
71.01376	53.4
73.02934	18.1
85.02946	16.4
87.00837	4.5
89.02422	49.6
95.01376	4.3
96.96008	15.4
99.00899	3.9
101.02435	51.8
105.92484	3.9
113.02429	34.3
119.03465	20.3
131.03494	4.2
161.04549	20.4
161.72499	3.1
179.05573	18.4
219.21964	3.5
221.06612	8.1
263.07727	13.2
305.16141	4.3
467.15588	6.4
467.21417	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	467.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89652	3.5
59.01374	18.5
65.52857	4.0
71.01357	15.4
73.02911	9.1
75.00859	24.5
83.01374	4.0
85.02931	27.1
87.00835	4.9
95.01424	4.7
99.00882	5.5
101.02406	5.4
113.02415	26.3
121.45318	4.5
217.81815	4.7
467.21252	100.0
467.27332	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	467.2137
Annotation	Ebracteatoside C
Peak:m/z	Relative Intensity
55.01875	3.7
55.89647	1.6
57.03443	4.4
57.53660	1.5
59.01376	57.6
64.00951	1.6
71.01368	57.1
72.65350	1.8
73.02948	25.0
75.00873	4.2
76.86174	1.8
83.01370	13.0
85.02927	34.8
87.00875	3.8
89.02443	15.6
95.01367	2.7
96.96015	3.3
97.02946	2.1
99.00859	8.6
101.02428	50.6
102.64489	1.8
113.02419	37.0
119.03497	2.6
123.87403	1.7
125.02412	3.0
127.89502	1.9
129.01944	2.4
140.01741	1.7
143.03490	2.2
143.10823	7.3
151.78371	1.8
151.82411	2.0
159.03047	2.3
161.04578	15.6
172.93602	1.7
215.06311	1.9
305.16125	31.2
367.19791	2.7
423.18704	3.4
467.21521	100.0
494.24356	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	467.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31841	1.6
52.44339	1.8
54.16093	1.6
55.01870	3.5
56.75010	1.5
58.98608	1.7
59.01376	53.1
59.78824	1.6
62.86919	1.7
71.01372	47.0
71.06471	2.1
73.02940	20.0
74.55843	1.5
75.56403	1.6
83.01383	8.4
85.02936	26.8
89.02431	12.5
95.01363	3.7
99.00883	3.4
99.20094	1.8
101.02433	44.3
101.41953	1.8
113.02421	24.3
159.02983	3.1
161.04550	13.9
184.80151	2.2
263.15073	3.2
266.17514	1.7
407.19342	2.1
425.20386	31.5
467.21335	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	467.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45251	0.8
56.09039	0.8
59.01379	15.5
66.59808	0.8
71.01372	5.2
73.02943	14.0
83.01381	2.3
89.02451	1.0
96.58636	0.9
101.02442	8.2
113.02433	1.9
146.01334	1.0
159.11761	4.2
171.08147	1.2
173.09575	1.1
183.11761	4.4
185.09770	1.8
186.10521	8.6
199.11339	3.9
201.12845	100.0
318.98923	1.1
325.62616	1.1
467.15076	1.4
467.21225	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	467.1925
Annotation	Paucin
Peak:m/z	Relative Intensity
50.51208	2.3
59.01381	100.0
65.04601	2.8
68.18668	2.8
71.01380	29.0
73.02923	47.1
73.13187	2.6
83.01361	11.5
85.02951	10.5
88.68159	2.8
89.02421	24.1
101.02435	38.7
113.02435	13.4
119.03478	4.7
148.29898	3.1
161.04494	3.6
182.80368	2.8
189.12836	2.4
363.18134	6.0
381.19299	12.3
413.83469	3.0
423.20416	19.6
467.19165	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16022	1.0
56.51668	1.1
59.01379	100.0
66.55754	1.0
71.01371	26.1
72.99304	1.9
73.02937	50.7
75.00826	1.4
82.37153	1.1
83.01365	11.1
85.02934	7.8
86.01389	1.2
89.02430	22.1
98.68687	1.2
101.02431	38.0
113.02422	16.6
119.03461	8.3
120.95863	1.0
125.02438	1.9
131.03477	2.7
137.72864	1.1
149.04501	1.4
156.55855	1.2
161.04552	4.8
187.86885	1.1
187.92088	1.3
201.12849	2.2
363.18219	13.1
381.19214	12.1
415.35345	1.2
423.20300	28.3
425.20261	1.7
467.20419	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	467.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11955	1.0
55.08970	1.2
59.01371	25.6
59.81062	1.0
64.07204	1.3
71.01372	25.9
73.02945	8.9
83.01387	2.0
85.02921	7.8
87.00853	2.1
89.02432	35.9
89.60672	1.3
93.43659	1.2
96.95986	15.8
99.00875	1.7
101.02421	33.3
113.02425	21.2
119.03493	13.3
125.02429	6.2
125.06003	1.4
125.42017	1.2
131.03482	14.7
143.03503	2.4
143.07120	2.9
144.86427	1.2
144.92523	1.2
159.02982	1.8
161.04529	21.4
179.05611	4.8
221.06648	16.3
247.57233	1.2
305.12405	5.3
378.92126	1.3
467.17661	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	467.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43688	1.8
59.01380	15.5
61.07232	1.9
68.99783	7.7
71.01372	4.8
89.02448	2.6
96.95961	3.0
101.02412	4.1
101.06047	8.1
104.86597	2.3
112.16678	2.1
113.02432	3.9
120.56599	2.3
138.03212	8.3
139.04050	3.4
149.02388	2.6
153.05528	21.2
164.04828	3.0
165.01907	24.0
166.02715	36.9
176.01086	9.3
178.02756	2.4
179.07086	2.6
180.04294	48.0
181.05066	39.9
191.03473	15.5
192.04311	3.0
193.01418	19.7
193.05064	9.1
195.06624	71.7
198.09949	2.2
207.06631	39.5
208.03767	52.3
223.06125	50.9
225.07759	8.9
282.24786	2.3
285.57516	2.3
377.12299	9.8
467.15567	100.0
467.21216	4.4
492.45764	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	467.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75155	1.6
59.01382	27.8
71.01373	37.2
73.02932	10.7
79.80935	1.5
85.02924	9.1
86.16952	1.6
86.48657	1.6
87.00865	3.3
89.02422	30.7
95.93457	1.6
96.96011	14.3
99.00811	2.5
101.02429	32.6
113.02420	19.6
119.03497	12.1
129.01921	3.3
131.03497	14.4
146.08205	7.7
147.08585	4.0
159.03011	2.6
161.04561	23.1
179.05545	8.7
184.28532	2.3
198.27914	1.8
215.45248	1.9
217.09071	2.0
221.06567	14.6
316.87262	1.7
421.09735	1.9
423.16953	11.5
467.17651	100.0
473.79071	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	467.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.3
59.51694	0.3
61.06609	0.3
67.45535	0.4
71.01378	1.9
79.95731	0.8
85.02957	1.4
89.02435	1.3
96.95997	100.0
101.02413	0.8
113.02426	0.6
135.04510	0.8
146.08247	1.9
147.08507	0.4
228.97308	0.4
249.12495	0.6
273.17056	0.4
423.17413	2.5
467.17422	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	467.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.6
62.60076	0.5
62.96733	0.5
67.93449	0.5
71.01340	0.7
73.02967	0.8
85.02944	1.2
89.02400	0.7
96.95991	100.0
101.02405	1.2
102.66613	0.7
103.43347	0.6
109.55264	0.5
113.02415	0.7
117.35042	0.6
121.45234	0.6
125.02438	0.8
145.04807	0.5
195.06735	0.9
199.53200	0.6
201.13901	0.8
206.94974	0.6
207.06541	0.6
208.03731	1.0
218.01109	0.6
229.09688	0.6
270.32968	0.7
277.11801	0.6
305.11185	0.6
326.81970	0.8
369.08173	1.0
467.20294	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	467.1557
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
59.01390	5.0
61.08242	3.1
68.81823	3.3
72.99295	19.3
89.06995	3.5
103.09084	3.8
110.90812	3.4
113.02452	4.4
207.13899	3.7
207.17651	4.1
220.39622	3.7
229.15816	4.0
233.11801	4.9
233.15430	4.8
235.16962	6.8
238.27917	3.7
245.15457	25.4
255.50049	3.7
260.10617	4.8
271.13422	5.5
289.14612	6.9
307.15366	6.2
308.82104	4.0
351.14563	100.0
379.13873	6.5
407.13791	26.2
420.82852	4.1
423.56442	4.3
467.26257	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	466.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94427	1.0
59.01372	19.9
71.01370	36.2
71.05018	1.3
73.02934	6.2
81.54675	1.1
87.64197	1.0
88.04031	4.8
89.02410	5.5
92.36353	1.1
94.00452	1.1
95.33616	1.4
101.02425	9.7
113.02420	6.5
128.07098	1.6
143.03465	1.7
146.08221	76.5
158.06557	1.2
161.04492	1.4
263.11728	1.3
269.35739	1.7
290.12360	4.9
308.13531	9.0
358.09448	1.3
362.14496	1.5
380.15555	7.9
409.47028	1.3
422.16690	100.0
423.51389	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	466.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34044	0.6
57.26242	0.5
59.10919	0.6
59.48733	0.7
61.98827	100.0
162.97897	0.7
170.24445	0.7
219.59859	0.6
364.59055	0.8
420.14499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2857
Annotation	(-)-5alpha-(12-Cytisinylmethyl)-6alpha-hydroxylupanine
Peak:m/z	Relative Intensity
53.18193	1.6
55.38878	1.7
64.03672	2.0
78.95884	21.7
80.84882	2.1
98.94653	1.9
133.02925	12.0
175.03957	4.1
177.01855	3.6
178.02789	3.1
361.20279	15.2
377.86639	2.0
419.24396	21.1
433.25955	2.9
450.26242	14.6
465.14468	8.8
465.21793	3.5
465.28513	100.0
481.34494	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	466.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13006	2.0
61.98829	100.0
64.04762	2.5
70.16370	2.9
117.74203	2.5
134.69122	2.8
310.56030	2.9
326.38412	2.6
437.04642	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	465.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90061	3.3
51.47390	4.0
52.13371	3.8
59.60536	3.6
61.52058	4.3
63.90537	3.5
78.95891	91.9
110.64373	3.9
152.99547	100.0
246.48576	4.8
253.58322	4.5
267.31119	4.3
440.64603	4.5
465.14511	21.5
465.22580	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	465.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98391	1.9
53.31823	1.7
59.01380	62.0
66.46312	2.1
67.10950	2.7
71.01373	10.2
73.02934	9.8
76.68948	2.0
83.01398	2.5
85.02942	9.1
86.21172	2.2
89.02423	4.0
93.73412	2.4
96.95969	2.7
99.00834	3.0
100.67487	2.1
101.02425	20.2
103.84179	2.1
104.72900	2.3
113.02410	9.6
149.04558	2.6
156.58258	2.5
189.12883	4.4
192.78381	2.5
199.13252	2.4
366.06439	2.3
419.19113	3.2
421.20673	8.7
465.20709	14.6
465.26981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.0
60.48626	2.0
65.56535	1.9
71.01402	3.2
83.05000	8.5
87.00865	17.2
92.19988	2.4
93.03428	18.6
107.99491	2.0
109.02923	10.8
111.04508	62.4
122.03717	2.7
125.46979	2.2
127.04053	2.7
130.99835	14.2
132.00633	2.4
133.01338	2.2
137.02451	11.3
153.01888	15.2
155.03461	10.5
173.04518	8.3
173.46611	2.0
174.03230	3.0
197.11832	4.6
211.13383	3.3
227.12875	2.4
247.20656	3.9
254.04472	3.2
291.19626	32.8
309.20718	100.0
385.23959	15.2
411.21881	2.1
465.17932	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	465.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98830	100.0
71.01379	1.1
73.02932	1.1
77.50339	0.7
92.39892	0.7
99.04538	0.9
113.02370	1.0
161.02406	3.2
214.75789	0.7
292.56177	0.9
379.23331	8.2
402.23956	13.4
421.24454	9.6
465.23233	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	465.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98830	100.0
71.01379	1.1
73.02932	1.1
77.50339	0.7
92.39892	0.7
99.04538	0.9
113.02370	1.0
161.02406	3.2
214.75789	0.7
292.56177	0.9
379.23331	8.2
402.23956	13.4
421.24454	9.6
465.23233	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
62.24271	3.6
69.07018	3.4
71.01363	7.6
75.58226	3.5
77.10654	3.6
82.57532	3.5
85.02937	6.2
87.00862	5.9
98.03181	3.5
101.02420	6.5
107.07275	4.3
113.02450	5.8
122.03701	6.3
123.78762	3.3
138.72447	3.5
156.50356	3.8
179.07541	3.7
188.33170	3.5
192.89169	4.2
211.13347	14.5
405.21249	45.1
408.71686	3.8
423.22275	6.7
443.20566	4.9
465.17740	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01162	0.8
50.88170	0.8
59.01379	100.0
61.43741	0.8
67.62579	1.1
78.95885	5.2
89.71808	0.9
92.64960	0.8
96.15408	1.0
152.99586	9.3
155.97147	1.0
391.57401	1.1
465.22461	6.3
465.29346	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	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38931	0.7
59.01376	100.0
60.57001	0.7
64.25686	0.8
71.01369	9.3
71.41936	0.7
73.02932	4.0
85.02943	5.4
87.00856	3.1
89.02422	14.5
101.02431	8.9
111.00851	3.3
113.02411	6.1
115.00452	0.8
119.03478	5.6
130.21304	0.9
137.09769	2.7
143.03551	0.9
161.04536	1.1
175.02415	1.4
179.05536	4.6
199.09737	1.1
223.66948	0.9
405.21320	11.7
421.17181	9.9
465.23209	8.0
475.76382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
58.67984	0.9
59.01378	16.5
71.01376	12.9
72.04547	1.2
72.99324	1.2
73.02929	1.4
75.00858	16.7
80.67678	1.0
82.02972	3.9
83.01366	1.6
84.04543	2.0
85.02942	17.6
85.62955	0.9
87.00859	5.6
87.01338	1.0
89.02430	7.6
92.35022	0.8
95.01337	2.0
99.00869	4.9
101.02420	5.2
113.02429	16.8
115.00367	1.2
119.03467	1.4
128.03493	1.3
139.08804	1.4
140.07184	5.5
141.10291	2.2
185.09392	1.2
189.12811	32.8
191.14468	2.1
203.08604	1.7
225.11888	0.9
254.18086	1.2
338.43216	1.2
388.91138	1.1
462.64026	1.1
465.20230	100.0
465.26611	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	465.1978
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
55.01854	0.9
57.03437	3.5
59.01376	14.6
59.99484	0.8
71.01373	21.1
72.99283	1.5
73.02917	4.0
73.45618	0.8
75.00861	23.7
80.28706	0.7
83.01378	4.1
85.02940	36.1
87.00858	7.9
89.02419	1.8
90.44480	1.0
92.20000	1.0
95.01347	4.3
99.00863	5.9
99.08181	0.9
101.02448	7.4
101.46571	0.8
111.00836	1.4
111.61105	0.9
113.02428	28.1
115.00378	1.6
117.01933	1.4
117.59336	0.8
125.02407	1.3
169.35533	0.8
175.02451	1.4
385.51260	1.0
465.19769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1974
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
53.33820	1.8
57.03445	3.6
59.01377	30.0
71.01373	24.8
72.99310	3.9
75.00859	25.1
83.01402	2.6
85.02938	34.1
87.00849	15.0
89.02417	10.9
99.00858	9.4
101.02425	10.9
113.02428	27.8
115.00331	2.6
128.53413	2.3
156.85863	2.2
223.32405	2.4
406.88657	2.5
465.19891	100.0
465.26724	9.3
471.83997	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1978
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
57.49899	2.0
59.01378	72.4
62.76730	1.8
71.01373	60.2
73.02932	27.1
75.00858	2.2
78.23186	2.2
83.01381	11.7
85.02946	26.5
87.00868	2.9
87.25800	2.1
89.02419	17.1
95.01356	8.6
99.00861	10.2
101.02428	57.7
113.02434	28.5
125.02422	2.9
155.10751	8.4
159.02928	3.7
161.04547	20.0
176.30638	2.3
212.23746	2.2
217.10823	4.5
261.13510	10.0
423.18774	34.1
465.19650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53250	0.8
56.86591	0.8
59.01366	5.4
71.01363	5.2
73.02931	1.3
79.49976	0.9
83.01405	1.3
85.02907	4.4
88.97835	1.0
92.40450	1.1
101.02431	14.6
102.05596	40.4
113.02416	4.0
116.57407	0.9
127.74832	0.9
128.03526	65.1
129.05544	5.3
130.06589	6.1
141.05598	1.8
146.04582	71.7
156.04546	4.2
172.07603	1.6
200.07109	4.2
241.09795	3.6
259.10910	4.5
292.11996	8.9
336.10800	4.3
447.13779	1.1
465.15094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50407	1.4
53.50667	1.5
59.01085	3.2
59.01377	83.3
60.88692	1.5
64.95253	13.4
72.99300	3.1
89.02430	9.1
101.66028	1.6
104.74654	1.7
104.85255	1.7
111.02002	4.2
133.01367	2.9
165.01927	7.9
177.07661	7.2
180.04295	32.3
188.08438	1.5
195.06630	100.0
221.00575	8.8
243.08713	33.3
367.90039	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1401
Annotation	TERNSTROSIDE A
Peak:m/z	Relative Intensity
59.01375	6.5
72.99301	70.7
73.02943	2.3
89.02457	2.0
90.03989	1.6
90.77973	1.6
112.05393	1.8
112.37199	1.6
120.99606	2.0
124.01597	2.1
125.02470	1.9
138.03223	6.8
139.00388	2.8
139.04005	7.6
149.06084	2.3
153.01898	1.9
153.05577	9.1
162.22011	1.8
163.04019	4.0
164.04652	2.6
165.01826	2.8
166.02693	12.7
167.03535	2.8
177.01898	4.1
177.05553	6.1
178.06276	13.1
179.03450	3.8
183.06601	7.1
192.04211	6.8
193.01416	2.8
193.05061	21.8
194.02211	3.3
195.06758	5.9
198.05295	1.9
207.06531	3.3
208.03769	10.9
209.04546	20.7
210.05370	3.7
222.05342	20.7
223.06140	7.5
240.06267	3.6
241.07153	6.6
261.17068	2.8
465.14005	100.0
465.23871	3.4
466.04538	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	464.2553
Annotation	Malyngamide N
Peak:m/z	Relative Intensity
52.34363	1.2
54.53524	0.9
58.02970	10.8
76.82911	1.0
79.13206	1.0
91.05515	2.5
92.19298	1.2
118.06602	14.7
139.98174	1.2
147.04509	13.7
164.07170	18.3
178.02756	1.1
183.70595	1.0
200.10719	1.7
200.61037	1.3
219.15051	16.2
335.92575	1.0
439.01166	1.1
446.24594	1.8
464.25543	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	464.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69576	1.1
58.02976	9.5
59.74868	1.1
62.46577	1.1
72.00866	1.4
82.13784	1.2
84.51804	1.3
91.05497	2.7
91.09619	1.2
95.03703	1.2
111.66503	1.2
118.06602	13.6
122.68889	1.2
147.04510	14.8
164.07152	23.4
219.14996	16.2
227.92094	1.4
245.10443	1.5
355.38403	1.5
385.94110	1.2
445.06232	1.4
446.24268	1.8
447.56775	1.3
464.25558	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	464.2555
Annotation	Malyngamide N
Peak:m/z	Relative Intensity
58.02969	12.4
59.01372	6.8
59.70816	1.5
61.98814	1.2
70.64581	1.4
72.00887	1.6
84.76315	1.3
91.05501	2.8
111.72657	1.4
118.06579	12.3
147.04520	14.6
155.19051	1.5
164.07172	21.4
196.24081	1.5
219.14989	15.8
464.25558	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	464.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47942	0.4
58.80780	0.4
59.01381	1.5
61.98826	100.0
71.01350	0.4
87.00888	0.5
87.76294	0.4
101.02431	0.9
104.24114	0.4
112.91050	0.5
149.24022	0.4
198.88417	0.5
429.79596	0.6
464.16504	0.9
464.33051	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	464.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	9.2
59.92773	1.2
61.98534	0.9
70.24459	1.1
72.62627	1.1
76.71838	1.0
91.05508	5.7
93.43865	1.2
95.03794	1.0
95.49375	1.2
96.04589	1.1
97.05328	1.2
99.53515	1.2
108.04434	1.3
118.06596	15.1
129.50934	1.1
131.54767	1.1
147.04503	13.7
164.07172	19.6
219.15018	14.3
464.25522	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	463.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	56.0
60.20510	2.2
91.03983	12.3
94.22758	2.6
139.11270	5.1
139.57590	2.4
143.84750	2.3
152.48361	2.6
171.10220	37.5
189.26677	2.4
211.13467	17.0
229.14424	10.8
267.86716	2.2
311.22226	12.2
329.23343	100.0
329.68997	2.6
403.26999	10.2
403.84897	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	464.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16402	0.8
59.01375	21.6
61.98826	100.0
63.29488	0.9
71.01380	1.7
83.66624	0.8
91.14011	1.1
101.02441	1.8
113.02463	1.1
119.04992	2.2
131.66679	0.9
145.02927	1.6
147.57681	0.9
198.41554	1.0
357.19196	2.0
362.18689	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	463.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71214	1.5
53.10173	1.4
53.73042	1.2
59.01379	1.9
60.02262	1.4
60.66167	1.5
63.86942	1.5
84.04561	7.1
87.00851	6.2
94.05907	1.5
127.05170	1.8
128.03526	3.3
145.06155	1.7
152.99564	1.9
154.79440	1.6
159.11859	3.0
171.15028	14.6
173.13354	4.0
197.12968	38.0
215.13998	69.6
216.14053	3.1
463.28247	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	463.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49002	0.8
66.78098	0.8
68.27129	0.8
75.06678	0.9
75.35651	0.9
81.03467	1.0
84.04563	7.8
84.97425	0.9
85.32738	0.8
90.42741	0.9
92.19936	1.3
95.67857	0.9
96.04530	1.1
102.49914	0.9
106.36329	1.0
108.04545	6.0
128.03508	4.6
135.80547	1.0
168.63652	0.9
169.13416	4.0
171.15028	15.7
173.13377	1.8
192.84163	1.0
197.12946	36.4
215.13988	76.6
247.13329	1.3
264.16159	2.1
463.28198	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	463.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57876	0.4
59.01365	1.8
60.05425	0.4
62.72617	0.5
71.01368	0.5
73.49306	0.4
91.03973	1.1
94.30960	0.4
117.03432	3.3
119.05008	4.5
121.02929	0.7
143.04663	0.5
145.02936	100.0
163.03973	7.3
207.57130	0.4
221.14896	0.4
243.19623	9.4
303.23318	8.2
327.23218	1.0
371.22284	22.2
389.23401	7.5
409.66595	0.4
419.38074	2.1
463.27011	48.7
463.36801	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2705
Annotation	2alpha,6beta,7alpha-Triacetoxylabda-8,13E-dien-15-ol
Peak:m/z	Relative Intensity
52.23299	4.1
56.14966	4.6
59.01372	32.7
59.76707	4.6
78.80380	4.8
80.50873	4.4
82.70531	6.4
134.03703	8.3
148.28165	4.8
152.80692	4.6
160.01607	19.7
175.03973	77.4
388.22266	6.8
389.23236	24.2
403.25009	6.8
445.26410	6.4
463.26859	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	463.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21825	52.3
53.52848	56.4
73.73873	67.2
79.79239	60.7
89.73291	57.6
99.98782	67.1
132.47917	62.8
152.99609	100.0
165.19299	72.2
193.51079	70.5
225.53629	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22455	1.2
59.01092	2.8
59.01378	78.1
71.01365	8.8
73.02912	2.1
83.01364	1.6
83.15601	1.3
84.62350	1.3
85.02929	7.0
99.00851	1.5
101.02434	9.6
113.02418	3.1
117.96040	1.2
140.67053	1.5
144.21986	1.3
191.56912	1.3
235.94339	1.4
240.74893	1.4
255.22574	1.2
401.66565	1.7
445.23996	2.2
463.15720	2.6
463.25482	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	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95745	1.2
57.03437	6.2
59.01383	17.1
64.32790	1.2
71.01373	2.2
73.02938	22.6
85.06570	1.8
87.04504	2.6
93.07077	2.6
97.06585	8.5
101.76434	1.4
109.06609	1.6
111.08125	9.9
115.07647	11.0
117.46584	1.5
123.08105	2.5
137.09726	1.8
139.07639	5.7
141.09242	9.3
150.70380	1.6
151.11275	2.2
153.09155	2.3
157.79720	1.5
164.92302	1.4
167.10669	2.0
202.31989	1.3
203.09270	3.3
261.13379	7.5
345.77835	1.5
359.20694	13.3
377.17264	3.1
377.21817	65.7
419.22903	100.0
463.22021	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.247
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83499	68.1
73.39199	78.5
77.32069	70.0
84.18166	75.3
101.10748	100.0
116.11172	84.8
339.00104	75.8
377.12057	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.9
59.01379	44.0
66.35408	1.7
66.96024	1.7
71.01370	13.0
71.05013	1.9
72.92149	1.8
73.02942	45.4
74.07354	1.5
75.00860	2.3
77.23580	1.8
79.52290	2.1
81.34281	1.8
83.05033	2.7
83.92180	2.0
85.02914	2.8
87.00872	2.8
87.04482	3.5
89.02430	4.1
95.05048	2.4
97.06561	8.1
99.04525	2.5
101.02427	12.1
101.06065	3.9
106.72779	1.9
109.06582	2.5
111.08138	8.9
112.06238	2.1
113.02452	2.2
113.06104	2.8
115.07652	3.1
119.03458	2.1
123.08116	2.6
125.06094	2.8
125.09682	11.6
127.07608	2.0
135.31303	1.8
137.13806	1.9
139.07648	4.3
141.09196	3.7
149.09706	2.5
153.09161	8.7
155.10741	4.5
167.10782	7.0
171.10237	25.8
173.08037	2.7
215.09225	11.3
359.20511	9.4
377.21887	64.4
419.15619	59.4
419.22803	100.0
463.21109	15.8
463.29062	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	463.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.8
58.81479	4.0
59.01372	54.4
61.80901	3.7
71.01373	17.0
73.02929	22.5
85.02933	8.0
87.00862	6.2
89.02443	9.3
93.31442	4.5
99.04488	4.7
101.02422	8.6
111.08121	4.7
121.10179	4.8
123.65432	4.3
133.02895	6.5
134.58780	4.4
153.09233	8.0
155.28186	4.6
171.10268	8.9
173.08136	7.6
200.63257	4.4
316.87662	4.9
342.20218	7.2
359.20657	7.0
362.22430	4.4
377.21722	61.0
388.95782	4.5
419.16684	6.5
419.22873	100.0
463.22006	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31675	0.9
57.03449	2.9
57.82985	1.0
59.01164	1.0
59.01384	14.2
69.03443	2.4
72.36987	1.1
73.02937	7.3
85.02959	2.0
85.06587	1.9
87.04497	5.9
97.06573	7.4
109.06582	4.9
111.08141	9.3
115.07648	11.5
123.08112	2.0
127.07671	1.7
137.09691	2.5
139.07661	2.1
141.09195	8.8
151.11273	2.6
153.09232	1.9
167.10730	2.2
173.08188	2.2
199.13394	1.7
203.20171	1.3
261.13449	9.2
359.20712	12.4
377.21844	60.3
419.22894	100.0
463.21884	2.2
469.15070	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37516	1.0
59.01378	100.0
61.67511	1.0
67.34811	1.3
71.01371	20.6
73.02925	5.7
79.87522	1.5
85.02946	14.3
89.02454	2.2
91.37280	1.2
95.01372	1.3
97.02957	2.0
99.00860	2.3
101.02452	9.4
101.47894	1.3
113.02434	9.3
114.28267	1.3
125.02418	2.1
131.03496	6.9
161.04527	2.0
169.24268	1.5
215.05617	14.5
285.69461	1.6
289.16602	2.7
403.19690	40.7
421.20804	8.3
463.21359	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	463.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
62.37870	0.7
84.58745	0.8
84.99393	0.8
93.03452	6.3
106.04273	1.0
108.59312	1.0
119.04991	17.7
135.04506	1.1
164.08437	1.2
165.09192	36.1
177.09183	1.3
193.08635	1.1
196.07481	0.8
271.13403	100.0
283.13388	37.1
301.14468	100.0
332.60349	0.9
336.62476	0.9
394.89392	0.7
437.39105	0.9
462.77225	0.8
474.26926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.211
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
50.71439	6.8
55.87190	7.7
58.50072	6.6
59.01385	12.2
59.73120	6.9
60.23807	8.4
62.37102	8.3
83.37645	7.5
90.13531	9.6
99.00857	12.0
100.34092	9.4
156.07748	10.0
190.10011	12.5
217.34773	9.0
247.16994	32.6
422.19794	9.5
463.21127	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99682	0.9
59.01379	47.5
66.98531	1.0
71.01369	18.8
73.02940	8.4
83.01363	2.0
85.02943	9.9
87.00866	11.2
89.02434	6.4
101.02426	15.0
111.00809	2.1
113.02425	7.2
116.92825	5.1
119.03503	1.3
121.02940	1.4
122.03725	1.3
125.02411	1.9
127.77233	1.2
145.02948	9.1
146.03719	10.2
163.03979	9.0
164.04776	7.6
189.01875	1.5
190.02751	1.8
197.15451	6.6
211.13420	6.7
215.07167	2.7
215.14430	1.4
215.16504	38.6
227.16562	1.5
234.01656	1.4
241.08781	1.6
241.18045	2.3
242.09460	1.6
257.17380	1.5
278.64151	1.2
310.50302	1.4
317.44513	1.2
359.20761	12.7
377.21790	56.7
410.07190	1.3
419.22891	100.0
445.15247	2.4
463.16107	42.4
463.25607	14.9
484.91281	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	463.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.5
59.01121	2.3
59.01382	38.4
61.43414	1.7
71.01035	1.6
71.01363	16.4
73.02924	8.3
75.48112	1.7
85.02937	100.0
86.62622	1.7
87.00857	46.4
88.98798	3.3
89.02428	4.1
101.02429	14.9
111.00861	53.4
113.02421	4.4
122.91369	1.9
123.04517	2.1
129.01920	7.7
145.02925	3.4
146.03731	4.0
147.04536	2.1
163.03981	8.3
164.04732	3.8
211.13353	3.9
215.07150	7.1
216.07961	2.9
259.19037	3.1
289.16547	13.6
419.19055	14.0
463.10214	2.9
463.16077	46.7
463.21246	2.3
463.25922	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	463.1744
Annotation	Lespedezol A5
Peak:m/z	Relative Intensity
55.45146	4.2
59.01371	100.0
71.01380	6.7
73.02928	4.3
74.67332	3.7
84.85314	3.8
85.02934	7.9
86.77625	4.1
89.02385	4.5
89.48808	3.7
99.00817	4.3
101.02420	6.7
116.92799	5.0
134.03725	4.4
143.07074	5.1
152.03503	9.7
155.29431	4.0
193.05017	6.7
257.17496	5.4
315.21524	7.6
359.12521	5.1
419.22842	21.0
421.15387	5.3
463.16989	62.6
463.22906	18.4
473.67441	4.7
480.42365	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	463.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15326	1.7
52.00941	1.7
57.03424	2.6
59.01378	59.9
71.01369	29.0
72.99261	3.7
73.02898	4.6
75.00860	25.2
83.01355	3.8
85.02933	36.9
87.00806	12.2
89.02415	15.2
92.41573	2.0
95.01376	2.7
99.00794	9.5
101.02431	17.5
109.70264	1.8
111.00835	3.0
113.02430	30.4
115.00254	2.9
119.03434	3.8
131.03413	3.0
209.11725	2.8
222.00624	2.1
227.12704	2.6
271.07748	2.2
377.17902	4.6
419.18927	11.6
463.17795	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	463.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88375	0.3
59.01366	0.8
60.28921	0.3
71.01382	0.6
78.42992	0.5
79.95724	0.6
96.95996	100.0
125.06073	0.5
174.57774	0.5
187.29837	0.5
213.06007	0.6
231.76355	0.4
271.06049	0.7
283.05710	0.6
365.18234	1.6
384.35147	0.5
394.20877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1613
Annotation	Glaucolide A
Peak:m/z	Relative Intensity
52.17414	1.1
59.01374	18.3
63.76022	1.1
66.23780	1.1
72.99305	2.4
85.02938	1.1
89.02381	1.9
104.71513	1.1
121.02947	1.4
122.03699	1.8
123.04582	1.4
134.03734	30.5
137.02448	1.7
149.06064	26.7
150.03227	2.3
154.71236	1.2
165.05566	11.4
178.02707	37.9
180.04213	2.4
191.81602	1.3
192.04231	9.2
193.05066	100.0
195.06641	2.7
207.06616	10.4
210.05351	8.0
211.06105	13.3
225.07655	27.8
257.96869	1.4
295.53455	1.1
308.90756	1.2
403.14023	9.0
421.15073	32.3
434.09116	1.3
445.17795	1.7
463.16528	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	463.1457
Annotation	Phlorigidoside B
Peak:m/z	Relative Intensity
57.03457	1.9
59.01376	30.5
65.24924	1.2
71.01370	54.2
72.29464	1.3
72.57922	1.3
73.02936	14.3
83.01373	6.2
85.02935	19.2
87.00840	2.8
89.02423	16.5
93.51209	1.3
95.01362	2.0
96.95988	14.0
97.02899	1.8
99.00867	3.4
101.02436	38.8
103.82874	1.6
107.07509	1.4
113.02435	23.8
119.03430	2.1
123.00861	25.7
124.01632	39.0
125.02394	2.6
131.03438	2.3
134.34772	1.7
138.03204	51.0
139.03996	49.3
143.03525	2.7
161.04541	22.4
166.02713	1.3
178.02742	1.5
181.05070	2.9
192.49187	1.4
221.06633	2.4
301.09305	35.2
463.14587	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	463.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59370	2.2
56.89155	2.1
59.01381	28.7
79.88480	2.7
86.04437	2.5
93.45364	2.8
95.69077	2.7
96.95987	20.7
107.51443	2.7
110.80071	2.7
156.81752	3.1
173.64597	3.3
178.02698	24.8
181.01375	3.4
183.06659	6.8
193.05067	53.2
211.06102	76.7
226.04768	10.6
241.07166	100.0
424.35211	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	463.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93046	0.8
54.25704	0.9
56.95494	0.9
59.01382	2.0
66.48595	0.9
76.44029	1.0
81.24934	1.0
84.77194	1.1
96.96006	4.5
104.05992	0.9
120.99641	100.0
125.29993	1.1
225.12181	1.0
463.12729	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	463.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73154	0.4
54.52306	0.4
59.01379	6.0
73.02937	0.6
80.49298	0.5
85.03034	0.6
86.02084	0.6
94.93911	0.6
96.95990	2.6
98.16449	0.5
101.02460	0.6
119.04174	0.9
119.05008	19.2
132.42711	0.6
136.01637	0.6
137.02431	100.0
163.03978	8.3
192.37476	0.7
202.23192	0.7
233.28310	0.6
251.56567	0.6
273.28723	0.6
293.64502	0.5
298.96094	0.6
325.09271	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	462.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20624	1.0
50.78554	1.2
51.26030	1.1
52.13472	1.1
72.70481	1.5
82.41753	1.2
118.06604	6.5
146.60632	1.4
147.04523	10.1
164.07185	6.1
201.10272	2.3
227.11855	2.6
245.10445	1.5
271.17981	1.5
314.18756	1.9
339.87241	1.5
447.21674	71.6
462.24023	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	462.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49216	1.1
52.59502	1.4
60.23300	1.3
62.86830	1.4
63.65325	1.3
71.20634	1.3
74.71308	1.3
81.11781	1.3
98.68954	1.4
118.06623	10.4
147.04495	11.1
164.07144	9.4
182.48827	1.6
200.10902	2.7
226.12427	1.6
227.11899	1.8
244.09723	3.5
245.10461	1.6
268.96149	1.6
271.18103	1.9
432.67813	1.7
447.21637	86.0
462.24002	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	462.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32397	2.2
57.04971	2.2
68.96854	2.8
89.40237	2.3
118.06605	6.4
125.43687	3.1
147.04492	5.8
164.07124	6.0
182.01979	3.0
186.39124	3.1
186.41029	2.7
201.10382	3.1
273.00467	2.7
280.36572	2.7
334.10703	2.9
414.99405	2.6
447.21622	87.9
462.24008	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	462.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36142	0.8
59.01358	1.3
66.70766	0.8
81.03960	0.8
84.02184	0.9
85.02946	8.3
97.02939	4.4
97.06568	1.1
109.06560	8.8
111.08172	1.1
115.05861	10.9
127.07629	7.6
137.09691	1.0
139.07658	3.9
141.09195	1.0
149.09656	1.9
167.10756	4.3
173.08183	100.0
183.08507	3.5
203.09235	6.7
241.10864	0.8
261.13449	5.3
323.18713	1.2
341.19635	1.3
357.17499	7.2
375.18570	12.4
414.27246	0.9
462.21738	80.7
464.74979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36658	1.7
72.52592	1.7
79.87270	1.9
81.12246	1.9
83.45807	2.0
118.06602	3.9
147.04492	4.8
164.07137	4.7
167.63982	1.8
197.10562	2.2
200.57825	2.2
201.10275	3.9
227.11934	3.9
241.13353	2.4
256.30942	2.3
337.42316	2.3
447.21674	82.8
462.24039	100.0
476.62350	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	461.3636
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
52.85901	0.8
57.77392	0.9
61.95709	0.7
69.30454	0.9
72.45258	0.8
92.19412	1.5
99.74658	0.9
154.36070	0.9
168.71530	0.9
356.42398	0.9
397.34805	8.4
399.32504	1.1
413.34290	4.6
415.35815	5.0
417.37341	20.8
461.36392	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	462.162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59204	1.6
71.01364	7.8
71.04981	2.0
83.05010	3.1
87.00862	100.0
88.04027	68.6
93.03438	16.5
96.95979	10.4
97.59887	1.7
111.04526	12.9
121.02925	2.2
126.67660	1.7
137.02435	25.7
146.08212	37.3
155.03499	3.9
218.08246	2.8
218.10332	79.5
235.40981	1.9
243.05078	79.4
243.07561	2.8
261.70328	1.7
264.56372	1.9
286.72925	2.2
301.52106	2.0
399.14209	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	461.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.83369	6.3
70.74377	6.4
80.03489	6.8
88.09477	8.0
98.96641	7.3
117.89494	8.0
127.99602	8.2
129.09242	11.6
155.10657	9.0
178.33212	7.7
185.11873	37.9
197.11781	17.4
209.11586	9.2
220.56093	8.2
291.19641	16.8
309.20709	35.8
321.56876	8.3
327.21667	53.2
397.59619	8.3
449.46069	9.3
463.91891	10.4
468.72418	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	461.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72099	1.3
59.01376	100.0
61.28423	1.2
61.75964	1.2
62.12762	1.2
71.01370	7.3
73.02912	2.2
84.83337	1.5
85.02946	5.5
87.00842	8.0
89.02464	10.0
101.02423	7.5
111.00867	12.9
113.02432	6.3
117.16707	1.7
119.03472	2.3
128.34927	1.6
143.03517	1.5
179.05615	3.3
186.53435	1.7
191.01938	7.9
199.51134	1.4
209.11752	1.7
306.73914	1.6
373.61398	1.6
401.25439	27.7
487.55716	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	461.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75625	3.7
53.93557	3.7
59.01378	100.0
61.98802	3.9
65.46757	3.6
70.87424	3.8
70.87832	4.5
71.98901	4.2
76.79729	3.9
84.61088	4.4
99.98220	4.5
111.00838	5.8
127.88293	4.0
129.09190	24.7
141.09268	9.0
155.10791	8.2
155.20894	4.8
185.11815	43.0
193.19600	4.3
196.03281	4.1
197.11830	34.6
197.13405	5.4
209.11810	9.4
224.20998	5.3
291.19708	20.1
309.20660	43.4
314.77905	6.2
327.21747	65.7
383.24417	7.5
401.25562	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	461.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46164	0.7
55.82719	0.7
57.03439	0.8
58.58230	0.7
59.01378	100.0
60.41823	0.8
62.01668	0.7
71.01376	12.6
73.02936	4.3
75.00833	0.8
85.02940	5.4
87.00857	6.2
89.02419	4.3
99.00892	1.0
101.02439	11.1
113.02423	6.7
114.12054	0.8
202.50195	0.9
213.09280	0.9
213.14868	1.5
214.06390	3.8
215.07117	4.0
229.64716	0.8
231.06602	1.0
239.16458	1.5
240.07899	1.0
257.08362	1.0
257.17618	3.0
375.20224	1.8
401.20938	1.7
401.25986	8.0
417.21246	5.5
419.21924	7.4
419.27338	2.6
461.14423	8.4
461.23703	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	461.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	90.2
63.99416	4.7
85.02918	21.9
91.03986	28.0
138.87898	6.3
147.18198	5.0
152.99586	7.5
171.10233	39.8
204.68803	6.5
211.13350	22.6
229.14491	12.3
243.50017	5.6
299.16437	10.6
309.20767	9.3
312.40207	5.0
327.21695	100.0
401.25351	7.8
428.63519	5.6
461.18237	9.5
461.27087	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	461.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46305	1.5
54.18190	2.0
58.58161	1.5
59.01379	100.0
65.63251	1.7
71.01371	8.6
74.89510	1.6
85.02936	6.7
87.00858	3.9
89.02425	10.9
101.02440	7.9
111.00854	10.0
113.02417	3.9
119.03526	7.1
135.36690	1.7
147.72675	1.5
161.04546	2.5
161.71382	1.9
191.02036	2.6
221.79004	1.7
401.25381	40.7
450.92062	1.8
461.14249	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	461.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18853	1.4
55.72289	1.5
57.03456	1.6
59.01377	80.1
72.48492	1.5
73.02948	2.0
79.40981	1.7
83.05344	1.5
83.63418	1.6
92.19360	1.7
122.92392	1.6
183.13882	9.0
185.11766	3.3
187.45302	1.7
213.14952	3.4
227.96411	1.7
230.62073	1.6
327.21817	2.2
329.23535	2.1
357.22467	2.3
357.26535	49.1
375.27539	44.7
417.28564	100.0
419.30130	2.2
461.25043	14.2
461.31042	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	461.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	75.6
61.98846	6.9
75.17825	4.4
85.02927	9.6
90.16200	4.9
91.04002	9.2
92.82739	4.5
114.21454	5.3
171.10277	33.6
199.28842	5.9
211.13315	10.9
215.13948	5.6
225.49748	5.2
229.14313	5.6
309.20984	15.4
327.21811	100.0
446.54523	5.4
461.27213	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	461.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09465	1.8
59.01380	52.9
68.19978	1.8
71.01367	8.2
73.02906	2.7
77.35576	1.8
77.84104	2.0
85.02935	9.5
85.09874	1.9
87.00844	3.4
87.11382	1.8
89.02441	2.9
101.02452	4.2
111.00837	2.4
116.92865	3.4
116.96704	1.8
137.02394	2.4
210.93581	1.8
241.04887	4.3
241.07304	98.6
242.08105	28.9
243.08867	7.6
247.10294	2.1
255.10271	54.0
256.09717	3.5
257.10471	2.8
299.09341	3.2
327.14673	7.2
327.75439	2.2
376.13828	3.5
461.08212	2.6
461.14407	23.0
461.20459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99072	0.6
58.15165	0.6
59.01379	100.0
62.63643	0.5
71.01376	4.6
73.02940	1.1
75.69690	0.6
85.02935	3.8
86.43555	0.6
87.00853	3.0
89.02400	1.1
96.95974	3.0
101.02418	3.2
111.00886	0.6
113.02461	2.5
130.08768	0.7
161.04538	2.7
213.54015	0.8
225.11142	1.0
316.20996	0.7
347.29346	0.6
357.19202	0.9
359.17032	1.4
401.18140	9.8
461.14777	1.1
461.20078	9.6
461.25168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80454	4.0
59.01386	33.0
60.31549	3.9
69.03443	5.5
69.70708	3.9
82.62015	5.0
83.05033	7.1
96.95997	9.2
99.00826	4.4
102.64298	4.4
111.08193	15.9
118.04305	4.7
121.06560	19.1
173.08176	26.4
187.49417	4.5
193.90062	4.8
194.25238	5.1
221.10469	5.3
233.57796	5.1
252.89906	4.3
261.13422	6.4
267.65656	4.3
375.20325	22.6
398.60788	5.8
417.21286	100.0
461.22568	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14240	1.5
59.01378	100.0
60.39212	1.5
71.01357	1.9
73.02937	3.1
87.20511	2.0
101.02404	3.8
108.78260	1.5
116.88754	1.9
147.74593	2.2
153.12860	28.2
179.10744	7.9
197.11844	29.4
417.21307	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14624	1.2
56.79100	1.5
57.03434	2.4
59.01376	100.0
71.01376	17.6
73.02944	6.8
75.00861	7.7
83.01391	1.9
85.02942	6.2
89.02431	15.6
92.19955	1.5
95.01303	2.0
101.02431	15.8
111.00870	1.9
113.02412	8.6
119.03530	5.8
137.02400	2.6
161.04555	2.5
165.09117	1.9
179.05545	3.2
200.98433	1.7
203.10776	28.7
220.11090	11.5
221.11713	3.5
224.28406	1.8
225.11230	3.7
240.92830	1.7
293.13837	2.0
383.17337	11.2
386.31491	1.6
401.18033	13.7
417.17630	10.1
425.82040	1.7
461.20038	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.4
59.01374	21.5
59.59130	1.7
69.03452	2.7
73.02937	12.0
74.55888	1.6
83.05019	11.7
87.71063	1.9
95.05039	14.0
96.90764	1.9
97.06555	1.9
109.06591	2.5
111.08126	11.2
121.06573	23.7
131.37999	1.8
139.07620	3.2
155.07138	2.0
167.92439	1.7
170.00723	1.7
173.08182	31.3
189.12891	2.7
203.09149	2.4
251.12914	3.6
287.14972	7.6
289.60721	1.7
331.17456	2.0
357.19449	2.6
375.20377	18.1
417.21341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49881	1.3
59.01369	22.7
61.68933	1.5
67.13230	1.5
67.42796	1.5
67.56474	1.5
71.01365	9.8
85.02914	7.7
101.02445	14.6
103.11702	1.4
111.00780	1.5
113.02459	2.7
126.13464	1.6
141.35791	1.7
147.17979	1.6
182.86815	1.9
191.88681	1.9
226.41301	1.6
236.32288	2.3
251.10687	2.0
269.11838	76.2
281.11841	31.9
313.11377	1.7
346.94638	2.0
431.17114	100.0
443.17139	42.7
461.18518	3.7
470.60843	1.6
475.80899	1.9
478.28217	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	461.182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51393	4.8
59.01377	100.0
79.74281	4.4
89.08898	4.7
91.49699	4.5
105.84487	5.1
134.03700	8.2
166.02705	23.7
181.05028	29.2
213.26723	5.0
274.99072	6.3
293.08139	10.0
308.10330	7.0
309.07709	18.1
339.12512	10.1
387.14581	6.4
401.15979	27.2
429.15527	35.9
461.17853	10.5
461.24063	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	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
66.99610	1.3
66.99978	1.4
71.01364	21.2
73.02934	21.8
82.11246	1.3
83.01363	1.9
85.02938	7.5
87.74422	1.5
89.02438	13.5
95.01372	1.6
101.02435	28.3
105.25917	1.8
113.02417	12.8
119.03443	3.4
134.03693	1.6
141.94661	1.5
149.02426	1.6
149.06020	2.6
161.04482	2.4
179.97427	1.7
196.01930	1.5
225.09122	8.7
258.11606	1.6
312.13449	1.4
333.34305	1.6
337.63242	1.6
357.15308	1.6
399.16388	5.8
401.17908	2.3
417.17615	58.9
461.15027	1.8
461.20197	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	461.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	44.2
71.01385	3.9
72.99299	5.6
73.02937	44.6
87.30698	3.3
91.03983	7.2
92.19996	5.3
93.03434	14.9
123.04510	4.5
132.05803	4.6
142.48311	4.1
147.04510	17.7
148.05276	17.7
151.03999	5.8
161.06055	12.9
162.03201	4.8
162.06856	15.3
167.10657	5.0
176.04781	5.7
180.04259	3.3
191.07207	22.2
198.79346	3.5
206.05827	4.4
218.42955	3.5
253.08707	4.3
255.10175	18.6
267.02963	4.0
277.05399	4.7
279.06717	15.1
281.08087	8.1
282.05539	11.0
283.06213	5.5
285.07672	21.2
286.08487	17.6
292.07678	3.5
294.05206	6.0
297.07690	100.0
299.09235	5.5
309.07574	26.4
312.10114	64.7
313.11127	4.4
316.09918	3.7
324.06442	5.3
324.09927	6.0
327.12531	30.2
329.10410	5.1
337.07053	32.5
339.08752	7.5
341.06754	19.2
343.11926	6.4
352.09769	3.9
353.06778	27.5
356.08990	17.5
357.13477	21.3
371.11530	54.5
374.10074	7.4
383.11456	34.2
386.10156	25.5
389.12485	84.4
401.12405	61.9
417.21542	4.1
419.13498	31.2
431.13470	66.0
443.13455	17.2
461.14200	32.2
461.28040	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	461.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12797	2.5
54.78846	2.8
55.29380	2.3
56.25249	2.8
59.01380	82.3
68.81229	2.8
71.01373	21.7
73.02948	25.4
83.01379	5.0
85.02943	4.5
87.00866	5.3
89.02438	6.5
92.19373	3.1
95.04979	4.2
96.95980	7.0
101.02438	22.9
113.02467	5.9
119.03419	3.0
123.08139	100.0
125.09708	27.6
133.06578	14.4
151.07639	68.3
165.09116	5.6
166.06349	5.1
169.08667	26.2
193.08656	3.5
195.06584	19.8
213.07677	97.4
216.10172	4.2
225.07703	23.6
417.13950	86.6
461.16180	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1303
Annotation	Sibiricose A3
Peak:m/z	Relative Intensity
59.01371	13.6
60.08477	0.9
66.57503	0.9
71.01374	22.9
71.08910	0.9
73.02935	4.8
83.01359	2.4
85.02930	8.4
88.90282	1.0
89.02415	6.0
92.19408	1.3
93.03436	47.0
95.01390	1.5
96.95998	2.4
101.02425	18.0
113.02416	11.6
124.49741	1.1
131.03479	1.2
137.02428	100.0
159.02975	1.4
161.04538	9.4
168.56712	1.2
181.03279	5.5
211.04309	1.2
255.08742	1.5
351.65195	1.2
417.14084	4.7
461.13010	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81174	0.8
59.01378	48.3
61.98768	0.9
71.01379	12.8
73.02934	34.0
76.31964	0.9
83.01357	8.0
85.02923	5.3
87.00854	2.0
89.02431	5.0
96.95995	14.5
99.00787	1.2
101.02431	21.8
111.00858	1.2
113.02399	1.7
123.08152	1.3
145.06165	1.6
155.91634	1.0
161.04483	1.6
178.16043	1.0
196.05098	4.5
198.06757	9.3
201.05557	1.0
209.30861	1.1
214.06137	1.5
231.13899	1.2
238.06384	1.2
239.05717	11.3
240.06538	19.0
241.07309	45.7
252.06616	1.4
255.05156	2.2
255.08873	1.4
256.05963	17.9
257.06735	17.9
281.06754	2.5
299.07776	5.0
310.16583	1.1
334.32709	1.0
401.11047	12.4
417.17496	3.6
419.12097	1.6
461.13110	100.0
461.18951	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12797	2.5
54.78846	2.8
55.29380	2.3
56.25249	2.8
59.01380	82.3
68.81229	2.8
71.01373	21.7
73.02948	25.4
83.01379	5.0
85.02943	4.5
87.00866	5.3
89.02438	6.5
92.19373	3.1
95.04979	4.2
96.95980	7.0
101.02438	22.9
113.02467	5.9
119.03419	3.0
123.08139	100.0
125.09708	27.6
133.06578	14.4
151.07639	68.3
165.09116	5.6
166.06349	5.1
169.08667	26.2
193.08656	3.5
195.06584	19.8
213.07677	97.4
216.10172	4.2
225.07703	23.6
417.13950	86.6
461.16180	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51136	1.4
63.96243	33.8
72.99293	27.3
73.98297	6.2
74.98067	1.4
88.98787	1.6
91.99355	1.7
92.09232	1.4
96.96019	13.2
111.93666	1.7
117.97295	32.5
128.03513	1.7
135.98347	100.0
137.02426	3.0
138.10011	1.8
144.24937	1.5
197.80742	1.9
461.11401	19.8
461.21005	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	460.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56414	0.5
68.91943	0.5
71.01383	0.6
72.00898	13.3
74.02467	17.0
118.05093	100.0
341.11157	0.7
460.16843	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	461.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78957	0.2
52.55639	0.2
52.69061	0.2
54.87124	0.2
59.01369	1.4
59.43768	0.4
68.23181	0.3
73.02924	0.4
73.67726	0.3
78.95880	0.3
79.95720	0.5
82.55312	0.3
85.02930	0.3
89.02345	0.3
90.60868	0.3
96.95993	100.0
101.02419	0.5
137.02440	2.7
138.96307	0.3
142.58659	0.3
157.08678	0.7
201.07614	0.3
363.13107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45150	0.6
55.24781	0.6
59.01376	7.2
67.99898	0.6
71.01350	0.9
72.99314	0.8
73.00626	0.6
73.02927	1.3
85.02917	0.8
86.71957	0.7
87.60074	0.7
89.02462	1.0
93.03439	25.6
101.02445	1.1
113.02415	1.0
133.02943	3.0
135.04556	5.3
137.02435	100.0
161.02425	28.4
177.05576	1.0
179.03430	6.7
193.05121	3.2
241.07291	5.2
252.89137	0.7
269.11935	1.5
283.02380	1.4
298.04831	1.6
299.05273	0.9
317.41373	0.8
323.07712	19.8
431.17023	1.3
461.10834	15.9
461.19586	1.5
461.24850	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	460.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56414	0.5
68.91943	0.5
71.01383	0.6
72.00898	13.3
74.02467	17.0
118.05093	100.0
341.11157	0.7
460.16843	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	459.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72161	5.6
76.32558	6.6
80.44350	5.7
88.55088	6.1
94.16302	5.7
94.89385	6.1
225.80031	6.8
399.17923	11.7
415.35880	12.5
459.35010	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	459.3483
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
73.30467	3.5
100.31295	3.2
129.70825	3.6
152.99611	29.2
187.09137	3.8
199.36176	3.2
216.52458	3.5
228.52664	3.5
340.28149	3.5
397.35071	6.9
413.34116	4.0
415.35638	27.4
429.97202	4.3
459.24890	4.7
459.34824	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	459.3482
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
63.88372	1.0
79.94830	1.3
83.61446	1.0
152.99634	1.8
279.23343	2.3
397.31308	1.5
413.34113	8.7
415.35870	19.1
459.34854	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	459.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12336	8.4
57.32001	9.4
59.01376	100.0
64.84663	9.1
65.63107	8.9
69.93322	10.4
152.99573	13.3
156.72585	12.5
189.24448	10.2
225.11287	48.2
299.14874	14.7
305.71463	9.9
396.61218	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	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87415	2.5
59.01381	100.0
59.56655	2.6
60.11089	2.6
78.55838	2.2
122.31738	2.8
181.12349	3.3
207.10231	23.1
225.11331	61.0
299.15009	32.6
305.67316	2.9
314.93039	3.1
395.96857	3.4
464.12469	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	459.3119
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
50.95973	4.3
51.13601	3.8
52.84001	4.3
57.91548	4.0
61.09508	4.6
62.61998	3.9
72.08526	4.5
78.95900	42.9
92.19221	5.0
109.06583	70.2
109.33752	4.3
116.92831	29.2
122.40511	5.0
127.65737	4.7
152.99586	100.0
179.95543	4.2
343.30212	56.8
371.33167	24.8
397.31033	20.0
415.32257	56.0
459.25345	10.5
459.31046	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08786	8.2
53.95369	7.8
54.64768	9.0
59.01375	100.0
60.75274	9.3
72.84253	10.9
116.92860	17.0
130.59514	10.2
133.90280	10.5
143.86935	10.5
154.35515	10.3
217.61209	10.1
294.20584	11.6
311.28226	13.7
389.02100	11.2
412.19321	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
51.12313	0.6
59.01378	100.0
67.51799	0.7
71.01371	10.1
73.02908	1.8
83.01375	0.9
85.02937	4.9
89.02437	1.6
92.77242	0.7
95.01373	1.4
99.00870	1.4
101.02432	6.0
113.02409	9.8
118.37719	0.8
146.10510	0.8
161.04572	1.5
227.64110	0.8
237.15002	0.9
362.42096	0.8
399.23907	22.1
417.24957	5.2
459.25900	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	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01308	2.0
59.01379	100.0
71.01367	14.9
73.02937	3.3
76.99303	1.9
78.52088	2.0
79.22882	1.9
80.01656	1.9
83.01370	2.5
83.26100	2.1
85.02947	4.8
89.02409	3.4
90.70039	2.0
100.44510	2.4
101.02424	10.3
105.31252	2.4
106.65518	2.2
113.02443	9.3
119.03571	2.2
128.69147	2.2
161.04474	4.1
181.12248	3.6
181.64499	2.4
219.13907	9.9
270.47321	2.1
280.88928	2.5
353.71475	2.1
391.24408	2.1
399.20337	22.0
417.21503	4.9
459.22018	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	459.2599
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
51.86803	0.8
52.03345	0.9
59.01376	100.0
59.15227	1.0
62.31342	1.1
64.30260	1.1
65.89811	1.0
71.01371	14.7
73.02933	7.4
77.03967	1.0
81.10241	0.9
83.01377	1.2
85.02948	4.4
89.02436	8.5
101.02422	16.5
105.41241	1.4
113.02419	10.6
119.03471	2.0
128.03505	1.4
155.56833	1.1
161.04517	2.5
162.65938	1.0
171.07681	1.3
192.89497	1.2
213.02524	1.1
251.07085	2.1
290.32910	1.1
307.28467	1.3
395.99686	1.0
399.23874	6.6
417.24911	12.2
417.39456	1.2
459.12717	1.3
459.19543	1.8
459.26569	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	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84920	2.1
58.54016	2.9
59.01378	67.1
60.19631	2.3
62.26847	2.4
71.01379	11.4
73.02925	3.8
75.41352	2.3
85.02951	5.6
89.02426	6.2
99.58811	2.4
101.02413	10.6
105.72137	2.4
108.00265	2.7
113.02425	11.6
128.98332	2.6
161.04544	3.6
277.60043	2.7
399.23819	17.0
407.29184	2.6
410.01874	2.9
417.25061	4.5
423.22397	19.6
459.20038	100.0
459.25900	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	459.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02092	0.7
55.01875	0.8
59.01379	100.0
59.83678	0.8
71.01371	15.9
73.02939	15.2
73.07422	0.8
74.46631	0.8
83.01369	2.0
85.02942	5.6
87.00847	1.4
89.02427	8.1
95.01369	1.0
96.96021	1.0
99.00919	1.1
99.04568	0.9
101.02431	16.8
103.92925	0.9
113.02416	10.5
119.03466	3.7
128.03465	1.4
129.10309	1.2
143.03471	1.2
145.10361	1.0
149.04382	1.1
149.09694	2.2
151.11192	1.0
160.33742	1.0
161.04558	5.1
163.11304	1.2
164.04807	4.3
179.05568	1.6
179.07077	1.1
181.12276	4.9
189.12848	1.7
193.05005	0.9
208.03758	12.0
217.07178	1.3
219.13853	5.4
219.15715	1.2
223.06146	12.0
235.08211	2.0
267.09891	1.4
303.16241	1.1
313.03372	1.3
321.16968	3.7
326.48495	1.0
328.52600	1.1
344.98026	1.0
399.20209	15.9
415.10349	1.1
415.16010	6.1
417.21341	8.3
441.23447	1.5
459.14569	1.0
459.23209	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	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49562	0.8
59.01378	100.0
60.49409	0.8
62.25873	0.8
66.77341	1.0
71.01367	1.0
75.30685	0.8
85.02921	1.0
101.02453	1.3
113.02470	1.0
151.73924	0.9
195.10242	1.4
207.28487	0.9
391.30096	1.0
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
51.75770	0.9
54.22564	1.0
59.01377	100.0
69.58537	1.2
70.77264	1.1
71.01368	23.9
73.02937	62.8
83.01386	10.7
85.02917	2.1
89.02423	7.0
95.01346	1.7
101.02432	38.7
103.16199	1.4
113.02409	16.2
115.19186	1.2
117.62008	1.4
119.03454	1.7
128.58096	1.1
131.03462	2.2
137.26199	1.3
141.01657	2.8
143.03534	1.3
149.04559	1.5
161.04472	9.0
172.33055	1.4
176.26361	1.2
176.53914	1.6
179.05426	1.2
373.17563	6.6
399.23959	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	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75952	0.6
59.01376	100.0
71.01366	4.4
73.02948	1.6
85.02966	1.1
89.02444	4.0
101.02438	4.3
110.58270	0.8
113.02434	1.3
114.42529	0.8
119.03485	0.8
128.08243	0.8
131.03226	0.6
160.89769	0.7
161.04437	0.9
195.10260	1.0
216.50255	0.7
259.51355	0.8
297.31445	0.7
339.14386	1.6
357.15680	3.2
399.16638	16.4
459.18161	7.9
464.58276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1664
Annotation	Bipinnatin H
Peak:m/z	Relative Intensity
52.87751	4.0
58.95401	4.3
59.01376	100.0
79.98280	5.8
116.92850	9.3
130.52211	5.1
132.22670	4.6
196.65666	5.5
211.63605	5.0
219.27682	4.6
287.05579	84.0
302.07928	61.6
317.10278	88.3
321.11234	6.1
366.50970	5.5
459.16080	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	459.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73091	0.5
59.01376	100.0
60.01717	0.7
71.01369	4.3
73.02944	2.5
79.78193	0.6
85.02962	1.4
89.02447	2.8
99.04511	0.8
101.02422	4.2
104.17145	0.6
105.74135	0.8
113.02416	1.0
120.02486	0.7
129.45226	0.7
139.07616	1.1
151.74109	0.7
161.04555	0.9
281.86337	0.7
283.43256	0.7
339.14447	1.1
357.15814	1.1
399.16537	14.3
459.18582	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.151
Annotation	Paeonolide
Peak:m/z	Relative Intensity
57.03440	2.9
59.01138	1.9
59.01379	32.5
64.33721	1.6
71.01377	26.5
72.73022	1.7
72.99319	1.6
73.02910	1.7
75.00861	28.2
76.12665	1.6
85.02943	32.4
87.00856	3.6
89.02427	14.3
95.01324	2.6
96.95988	14.3
99.00848	10.6
101.02415	9.9
113.02430	31.2
116.92840	2.8
119.03433	2.9
138.18217	1.6
139.07510	1.8
174.12213	1.9
324.81265	1.6
329.01718	1.7
425.49063	1.7
459.15018	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	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07127	1.0
59.01387	8.2
71.01385	8.4
73.02937	4.8
85.02956	1.6
87.00875	1.5
93.03426	9.8
93.57295	1.2
99.00880	1.6
101.02425	5.3
106.49231	1.0
113.02425	1.9
116.92889	1.8
119.05025	15.6
129.57234	1.4
135.04486	1.6
135.97827	1.1
143.49805	1.2
145.01422	6.8
149.02425	14.7
152.01126	4.4
161.04475	1.2
163.03949	1.9
164.04776	30.3
169.05061	1.4
174.28471	1.2
179.05783	1.1
179.07100	12.0
193.01379	5.7
207.02956	1.9
208.03778	68.0
223.06114	100.0
225.09097	1.2
227.07129	1.6
246.10188	1.5
248.76201	1.1
258.10742	1.1
269.08243	14.0
281.08218	1.3
284.16217	1.2
295.06058	5.3
297.07642	4.7
309.07870	2.3
313.07263	1.3
317.69171	1.3
327.08716	5.7
412.94473	1.5
415.10361	12.6
417.14371	1.7
459.09396	2.6
459.14948	22.6
471.77280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23083	1.4
71.36254	1.8
73.02945	2.6
83.62272	1.5
84.80210	1.7
96.21987	1.6
96.68176	1.4
100.10781	1.8
116.92028	3.0
116.92843	70.8
117.01918	10.9
135.04536	18.5
161.02423	100.0
161.04430	3.4
179.03470	43.7
179.05559	6.4
255.88904	1.9
341.08771	73.8
374.17563	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	459.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61702	0.8
53.27478	0.9
58.37243	0.7
68.26070	1.0
69.67235	0.9
72.97471	0.9
73.02937	27.8
77.06917	0.8
90.72324	0.8
99.00862	5.6
117.01923	100.0
157.82796	1.0
182.66357	1.0
228.97310	1.0
459.03595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04602	0.5
59.01362	1.0
60.53200	0.5
61.75686	0.5
71.01392	1.0
73.02938	30.7
76.31304	0.8
89.02404	1.6
99.00867	4.1
101.02462	0.8
117.01925	100.0
178.67598	0.8
335.27466	0.7
341.11026	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	458.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88670	0.9
82.02972	21.5
85.02935	4.8
96.96008	2.5
100.04034	32.9
101.02416	2.0
110.24383	1.2
122.03754	2.8
123.04522	1.6
128.03516	32.4
129.01924	8.1
134.03735	10.9
135.04472	2.5
145.50583	1.2
146.04616	4.7
149.06068	19.5
163.23459	1.3
187.06375	1.4
192.06787	1.2
202.08762	2.4
224.89853	1.2
234.05966	2.3
235.08432	2.9
236.09253	16.0
250.10854	59.2
264.08807	21.3
278.10455	14.3
296.11386	50.7
311.15250	1.4
458.16754	100.0
458.22223	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12441	0.7
55.57248	0.6
55.62712	0.7
59.01373	19.8
64.10625	0.8
71.01373	15.6
85.02941	0.9
89.02429	32.3
101.02438	13.4
113.02453	8.7
116.07157	100.0
119.03485	12.8
161.04564	1.3
162.73616	0.9
176.16141	0.9
179.05649	5.5
204.28876	0.9
235.43491	0.9
341.10880	59.2
341.15088	2.0
379.09467	0.9
398.66437	0.8
458.18637	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	457.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58484	10.5
51.30457	11.4
59.01369	77.2
64.13060	11.4
78.95882	43.6
95.30749	11.0
100.56288	12.2
116.92797	17.3
127.56279	13.4
152.99582	100.0
234.70253	13.4
253.89766	13.1
314.36990	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	457.3325
Annotation	Fruticoside B
Peak:m/z	Relative Intensity
55.42788	0.5
65.81300	0.5
78.95885	1.1
94.95803	0.6
95.90178	0.6
118.18596	0.7
123.08128	2.4
150.42403	0.7
152.99574	3.4
252.31284	0.6
383.33273	3.7
393.31683	0.9
395.29031	1.1
395.33530	12.1
396.99298	0.7
411.32684	16.2
413.34238	19.8
420.72675	0.6
457.33249	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	458.1569
Annotation	Doronine
Peak:m/z	Relative Intensity
59.01372	24.9
60.01707	2.0
71.01377	2.7
72.99300	16.5
84.00898	1.3
89.35759	1.5
95.64928	1.4
98.59238	1.6
101.02412	2.0
110.02460	1.8
111.03219	6.1
116.07165	9.6
122.06080	11.6
136.00417	5.2
136.07614	1.8
160.07625	1.4
162.05571	21.8
166.05078	23.5
179.08223	7.9
184.06154	2.6
203.08295	2.9
203.11047	1.4
204.06699	5.7
205.06326	1.8
207.41353	1.3
216.06610	3.1
230.08228	7.0
233.09276	7.7
245.09306	13.0
246.10069	6.6
247.07219	6.0
258.06253	1.6
259.07147	2.3
273.08786	20.3
273.11731	2.0
274.09607	2.4
277.08267	3.0
366.14682	1.8
384.15488	1.9
458.15704	100.0
458.23734	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	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.64542	0.7
63.63983	0.6
71.01351	6.0
73.02940	1.4
83.01351	0.8
83.98904	0.7
84.79866	0.7
85.02933	2.9
89.02419	2.7
101.02419	6.1
113.02420	3.8
253.17978	1.2
345.91211	0.8
346.78662	0.8
415.23315	5.5
451.59473	0.9
457.24442	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	457.2443
Annotation	(-)-Tetrazomine
Peak:m/z	Relative Intensity
50.71682	0.7
52.39341	0.7
57.03446	1.1
57.35661	0.7
59.01084	1.3
59.01377	32.7
59.84177	0.9
60.07069	0.8
71.01376	16.4
73.02944	9.0
75.75860	0.8
83.01370	5.2
85.02940	10.2
87.00839	2.0
89.02443	4.6
95.01370	1.2
95.48146	0.8
97.02940	1.0
101.02435	20.0
113.02422	7.3
135.94702	1.0
137.37404	0.8
143.89400	0.9
166.91159	0.8
183.58473	0.8
194.25114	0.9
197.84048	1.0
217.38364	1.1
253.18095	1.4
397.22269	3.4
415.23300	15.0
442.88516	0.9
457.24454	100.0
463.42166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	70.0
60.02386	6.0
71.01379	7.5
73.02885	8.4
83.46149	7.5
95.44962	7.2
101.02417	7.0
101.59786	6.4
107.14635	6.7
113.17067	6.5
124.33787	6.8
129.44951	7.0
237.18571	26.1
253.17987	8.8
263.81500	7.2
264.94736	7.9
286.62122	7.2
301.67044	7.3
415.23343	13.9
457.24512	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	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30326	0.9
57.51884	0.9
59.01377	100.0
60.33678	0.8
71.01372	14.5
71.34731	0.8
73.02933	7.7
75.68176	1.0
76.08031	1.0
81.47079	0.9
83.01376	1.2
85.02935	6.4
87.00834	1.0
89.02435	4.8
95.01356	1.2
98.67984	0.9
101.02431	13.1
113.02457	7.9
161.04559	2.4
186.56177	1.0
397.22012	7.0
415.23239	10.8
457.24863	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	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81223	0.9
59.01378	100.0
71.01378	16.2
73.02941	25.0
74.78885	1.1
83.01400	5.2
85.02939	5.0
85.90287	1.0
89.02442	10.8
90.83263	1.3
101.02426	24.5
103.20832	1.0
113.02442	12.0
119.03465	1.9
134.44568	1.0
143.03423	1.2
161.04553	2.3
170.20389	1.1
179.05492	1.0
253.18414	1.3
268.03864	1.5
350.23428	1.1
397.22250	14.6
413.18494	1.3
415.23514	11.7
457.18671	4.6
457.24353	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	457.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59024	0.7
59.01380	2.0
63.50224	0.8
67.60501	0.9
69.48450	1.1
71.01369	1.4
74.02463	0.9
89.02425	1.3
96.95979	7.1
109.04034	1.8
122.03717	14.9
123.04513	5.3
127.05112	100.0
128.03525	10.6
134.03763	2.1
135.04497	4.1
145.06203	1.9
149.06026	3.5
200.01837	1.2
233.76114	0.8
235.10815	9.7
262.09531	4.7
263.10352	28.0
277.11917	20.7
292.46521	0.9
295.12985	63.0
457.18326	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31412	0.7
50.94190	0.7
55.52300	0.7
59.01377	100.0
61.88322	0.7
66.25356	0.7
71.01365	7.3
73.02930	4.9
76.91491	0.8
83.01402	1.0
85.02951	5.2
95.99963	0.8
101.02422	7.0
113.02409	1.6
149.05986	1.3
161.04472	1.3
196.74226	0.8
239.04956	0.9
246.16899	0.9
397.11420	1.1
397.22479	1.9
403.73074	0.8
413.44965	0.9
415.23456	5.9
457.24405	4.5
479.38257	0.9
484.00751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1719
Annotation	Pectinolide F
Peak:m/z	Relative Intensity
50.23199	1.6
55.01855	2.0
59.01084	3.3
59.01376	100.0
64.59270	2.1
70.30002	1.5
71.01363	30.3
72.84731	1.6
73.02933	23.5
76.02161	1.7
83.01377	9.2
85.02940	12.5
89.02424	21.8
95.01353	3.3
101.02401	28.0
113.02435	15.7
119.03468	8.8
130.08701	1.6
157.45430	1.9
161.04515	7.0
166.02675	3.4
174.33308	1.8
181.05046	10.4
191.14328	2.1
205.05013	12.2
208.02893	1.6
220.07393	48.2
235.09695	29.3
235.13351	2.8
252.13516	2.3
273.38065	1.7
295.11795	6.8
395.28198	1.6
397.14899	15.5
415.16086	46.5
457.16312	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	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11969	1.4
59.01083	3.5
59.01375	100.0
71.01384	13.4
73.02931	46.8
75.00914	1.4
80.92973	1.6
83.01378	9.0
85.02932	3.3
85.42812	1.7
89.02415	6.4
92.19386	1.5
93.48286	1.7
93.88805	1.5
97.02905	1.8
101.02414	32.0
108.84267	1.6
113.02405	12.9
118.56669	1.7
119.03443	1.7
125.62270	1.5
128.96327	1.5
131.03549	2.1
147.11780	59.9
149.04594	1.8
161.04575	6.5
207.67702	1.5
209.74406	1.7
239.10767	1.6
397.22238	8.7
413.18173	14.5
415.23129	2.7
457.24368	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	457.1616
Annotation	Cardiodine
Peak:m/z	Relative Intensity
57.00763	1.7
59.01375	20.1
67.90643	1.8
69.68417	2.3
71.01367	29.5
86.18060	2.2
88.04054	2.8
93.29216	2.1
105.65934	2.2
115.00344	20.2
117.89603	2.0
135.05602	8.2
138.96622	1.8
145.04063	11.4
159.05627	9.2
164.07159	2.3
190.06252	2.5
200.69391	2.3
214.13225	2.2
240.10222	2.8
252.05293	3.9
267.07770	76.8
269.09323	15.7
283.10818	9.2
341.15057	13.9
397.22507	2.7
413.17084	4.5
457.16202	100.0
457.23169	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	457.1141
Annotation	Daidzein 6''-O-acetate
Peak:m/z	Relative Intensity
55.21988	0.7
59.01374	4.8
71.01373	0.8
71.71444	0.9
73.02929	1.4
92.19393	0.9
93.03428	3.5
127.06165	1.0
144.54224	0.8
145.02986	1.1
155.82101	1.0
159.04474	1.6
171.04393	1.9
187.03987	5.7
227.07130	53.3
231.02998	1.1
243.02930	2.0
251.07074	1.0
253.05042	21.5
263.07245	1.2
265.08691	14.0
293.08167	11.3
295.06174	3.9
307.06158	3.3
309.07605	1.8
319.06094	3.7
337.07166	100.0
367.08194	1.9
457.11432	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06218	0.5
50.16002	0.6
50.49706	0.5
53.48613	0.5
53.72480	0.5
53.79279	0.5
59.01371	1.3
62.35970	0.6
68.46885	0.6
71.01375	42.6
89.02425	2.8
101.02431	0.8
113.02425	1.4
114.05577	0.8
114.67274	0.5
115.00356	100.0
119.03540	0.7
129.46712	0.7
140.81596	0.6
276.58441	0.6
341.10703	0.8
457.11765	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	455.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08350	4.1
59.01383	100.0
86.49780	4.3
321.24124	18.4
337.78528	5.6
398.70251	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	455.3534
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.80827	0.3
60.98154	0.4
84.40386	0.3
168.87323	0.3
186.27113	0.4
218.11545	0.3
259.59125	0.4
298.14346	0.3
455.35324	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	457.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21813	1.2
57.61443	1.0
59.01377	27.9
71.01372	1.4
71.91962	1.3
79.41649	1.2
113.02402	2.4
115.00343	6.8
115.03984	90.1
126.44810	1.4
131.03464	16.0
168.05180	1.4
191.01854	1.8
203.01962	100.0
203.03879	3.3
234.81778	1.6
403.80249	1.4
406.66150	1.4
482.66257	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	455.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.01645	7.2
79.71657	8.5
96.39070	8.1
102.69025	8.7
131.45900	8.5
139.66080	10.4
176.59731	8.0
197.96378	9.5
213.29703	8.1
225.63008	9.0
252.10300	8.0
252.22878	7.9
313.76157	7.7
321.24289	31.8
381.26349	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	455.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01912	1.7
55.01865	6.9
57.03445	2.4
59.01380	6.2
73.02929	9.6
91.03990	18.6
101.02402	12.0
106.84766	1.7
118.45868	1.6
119.03468	9.0
175.06128	16.2
188.73184	1.9
193.07156	26.4
195.27272	1.8
279.23276	97.3
320.23737	1.8
356.24658	1.8
455.23804	3.6
455.30179	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	455.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
65.93250	1.4
69.80194	1.3
71.01366	10.6
73.02930	14.4
83.01354	2.0
83.05000	2.8
85.02950	2.0
87.36400	1.2
89.02439	1.9
90.60045	1.4
95.39810	1.6
101.02437	7.9
113.02451	10.1
132.79121	1.6
161.04521	3.4
176.59216	1.7
177.12842	1.8
203.14441	2.5
221.15428	8.2
233.15460	6.7
251.16550	11.5
261.17020	1.7
299.77930	1.8
475.13550	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	455.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62925	0.9
59.01380	100.0
68.48132	1.0
71.01372	10.8
73.02925	7.4
74.81110	1.0
81.03440	1.2
83.01392	1.3
85.02954	2.1
89.02444	2.4
93.03442	1.4
101.02438	7.5
113.02431	6.8
116.69514	1.0
128.72906	1.0
137.02443	2.5
155.03474	2.5
161.04579	4.3
233.15401	1.5
247.67955	1.1
251.16510	17.0
287.33972	1.1
306.50616	1.2
411.15665	1.2
432.50763	1.1
455.23022	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
55.89637	0.9
59.01375	41.9
71.01369	17.2
71.31752	1.1
73.02933	10.6
83.01366	3.9
83.70295	0.8
83.84702	0.9
85.02492	1.0
85.02930	9.0
87.00813	1.7
89.02428	8.5
89.39191	0.9
92.19916	1.8
95.01344	1.8
99.00896	1.8
101.02422	17.5
107.90210	1.0
113.02422	9.6
119.03513	1.1
233.15416	12.0
235.17036	7.0
251.16499	18.1
290.50284	1.0
349.11273	1.0
395.20654	9.7
413.21771	15.2
455.22827	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	455.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03775	1.1
50.47051	1.1
55.18862	1.4
59.01376	100.0
63.77003	1.5
66.98476	1.4
68.99620	1.2
71.01365	7.9
73.02935	10.7
81.83119	1.5
85.02953	2.1
89.02430	6.6
90.45460	1.4
101.02421	8.5
113.02428	8.0
186.35388	1.6
228.81177	1.4
233.15434	1.9
246.52672	1.4
251.16499	2.0
333.73514	1.6
395.20773	2.1
395.38031	1.5
413.22089	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
71.01373	35.1
73.02934	9.5
77.07512	5.4
78.95898	9.3
83.01362	7.0
84.60119	5.3
85.02927	22.9
89.02436	8.8
101.02423	28.8
113.02417	25.0
119.54282	5.1
156.77859	5.8
176.75076	5.6
209.43056	5.3
214.67642	5.9
351.54803	5.4
395.20621	9.5
427.33368	5.8
455.22342	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42583	0.9
59.01380	26.3
68.07410	1.0
69.43822	1.2
70.55385	1.0
71.01373	30.1
73.02931	5.7
82.59127	1.3
83.01376	1.2
85.02929	7.0
87.00842	6.0
89.02436	29.1
89.90595	1.1
96.96003	2.8
99.00855	1.7
101.02425	29.4
113.02431	19.0
113.06042	1.5
114.05659	1.2
119.03478	11.1
128.61443	1.1
131.03474	12.2
131.07118	4.7
161.04538	19.4
179.05586	5.4
221.06671	12.9
262.71387	1.1
281.54474	1.2
293.12497	7.3
317.73630	1.1
455.17746	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	455.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.8
68.79443	0.9
71.01376	1.8
75.00895	1.2
85.02924	1.4
89.02454	2.2
96.95976	1.1
101.02427	1.9
102.91274	1.0
103.95178	1.1
107.27596	0.9
109.02945	1.4
112.08776	5.5
113.02425	1.6
121.02921	4.7
129.10315	8.1
137.06078	1.6
139.21799	1.0
154.09869	8.5
163.03996	5.8
166.78271	1.0
180.06442	1.1
234.11325	2.4
242.07245	1.2
251.14000	100.0
258.52844	1.1
276.13510	88.0
293.16199	82.6
293.19571	1.7
320.03580	1.2
341.10962	1.5
426.52499	1.2
455.21851	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	455.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
66.27460	1.2
83.54934	1.1
92.19426	1.8
93.03448	1.6
97.00384	2.1
101.03944	6.2
111.01998	12.5
118.06570	2.2
119.04988	10.3
123.94563	1.2
133.05345	3.1
134.06111	15.7
144.04527	1.9
145.02933	26.2
146.06111	3.1
160.04002	2.4
160.07645	2.3
162.05574	5.7
163.04016	6.5
165.11795	1.4
172.04037	1.4
173.07257	1.5
180.06631	5.6
189.06691	47.0
200.05913	5.3
203.08270	2.0
206.04590	2.9
206.07191	1.3
218.06937	11.4
237.09140	1.8
248.10851	2.3
249.09151	1.8
264.10278	9.4
265.13602	2.0
266.11865	2.9
276.10260	2.4
292.83780	1.7
309.12411	8.0
353.11389	23.7
386.02850	1.5
455.16144	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	455.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	61.6
59.06314	1.2
60.72394	1.3
63.59637	1.3
71.01376	39.9
73.02949	2.0
75.00832	1.4
83.01409	1.8
84.04733	1.5
85.02934	1.8
87.00848	1.7
89.02431	78.8
96.95995	16.2
101.02437	43.7
113.02429	27.4
119.03487	31.4
119.08234	1.4
143.03516	3.1
161.04568	3.1
179.05647	12.7
221.92839	1.4
266.43903	1.6
285.51981	1.4
341.10895	100.0
455.13824	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	455.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55888	1.0
59.01376	100.0
64.92098	1.2
84.46115	1.1
96.95990	1.8
104.45237	1.1
110.25112	1.3
110.50031	1.2
115.37092	1.1
117.03428	1.4
119.04986	25.6
145.02939	82.6
145.04099	2.7
148.19984	1.3
163.03987	33.4
189.05569	57.0
194.71497	1.3
221.15700	1.5
223.61064	1.3
455.11420	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
67.18558	1.7
67.28474	1.6
73.01497	1.5
74.98190	1.5
82.81605	1.9
85.02931	7.2
101.02427	4.0
111.01298	1.9
119.05004	51.1
123.03878	1.7
124.95441	1.7
129.01923	28.4
145.02940	93.4
145.04092	3.2
163.04002	87.2
189.05568	55.0
224.42209	1.9
232.98961	2.0
292.70383	1.8
325.09250	2.6
411.13016	2.7
455.05276	2.9
455.11832	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00430	0.8
52.99586	0.8
59.01366	0.9
61.41913	0.8
62.25826	0.9
64.71756	0.8
68.99186	2.0
68.99566	54.2
76.71892	0.9
87.00863	1.1
112.98547	100.0
117.54321	1.1
125.19308	0.9
135.04472	6.4
146.94930	1.0
161.02435	19.1
165.60219	0.9
166.41965	0.9
179.03516	11.6
179.04895	1.2
189.05655	1.0
341.08759	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	455.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.6
74.72350	0.9
85.02925	16.4
92.19415	1.1
96.96972	1.0
101.02428	8.8
110.60827	0.9
119.05003	60.2
129.01917	49.8
133.01149	1.0
145.02904	1.7
163.03993	100.0
177.87981	1.0
190.29771	0.8
200.86140	0.9
325.09363	18.7
330.94406	0.9
455.12033	14.1
455.18195	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	454.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23566	3.1
62.00805	3.7
66.63216	3.7
83.71820	3.9
122.52586	4.5
133.05313	19.5
134.06126	93.1
137.24678	4.4
141.12013	4.2
180.26466	4.5
223.14514	55.1
247.14438	100.0
291.97620	4.3
342.14267	6.0
358.21420	98.5
385.20358	5.6
454.27124	54.1
473.69601	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	453.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
63.29321	2.8
64.13402	3.1
76.39302	3.6
88.52858	2.9
137.32561	3.4
142.11113	3.3
147.02199	3.3
154.46634	3.3
167.87067	3.1
173.68153	3.6
277.10501	3.1
399.45599	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	454.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40608	1.6
62.37872	1.5
74.84055	1.9
82.06598	2.3
82.10900	1.7
111.01946	2.6
122.77719	2.0
133.05333	14.1
134.06107	77.5
138.08031	1.8
139.08740	2.2
153.06712	2.2
160.04036	7.2
181.09856	1.9
195.15079	3.3
206.11830	2.9
223.14513	49.6
230.11777	3.8
242.43462	1.7
245.12962	4.3
247.14511	92.1
342.14618	11.4
358.21378	100.0
385.20087	11.1
447.10355	2.0
454.27188	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94860	7.2
53.16598	5.8
55.13857	6.0
59.01373	100.0
67.92458	6.5
72.30563	7.7
79.20745	7.2
80.61401	8.2
86.47969	7.7
87.30143	7.0
448.30817	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	453.2133
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
52.89732	1.4
58.10067	1.2
59.01377	100.0
71.01378	16.2
73.01561	1.1
73.02939	29.2
77.25299	1.2
77.63177	1.3
83.01371	5.8
83.05018	39.4
85.02937	2.4
89.02431	6.3
101.02433	22.1
113.02428	11.3
113.82569	1.4
128.03603	2.1
131.03497	1.8
149.09651	5.0
153.09181	15.8
161.04526	1.7
175.11269	21.3
179.10783	18.8
181.05077	2.0
183.05592	1.8
185.09210	1.5
189.68956	1.3
205.12318	2.7
219.13928	2.8
249.14987	31.3
373.87753	1.5
453.26175	2.8
465.68008	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	453.2132
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
56.67609	1.2
59.01379	100.0
69.07886	1.3
71.01368	17.8
73.02941	25.2
83.01399	2.3
83.05008	3.0
85.02953	5.3
89.02432	5.3
95.01416	1.3
97.06574	2.7
101.02441	17.3
113.02416	10.8
125.06053	7.1
126.02843	1.4
131.03465	1.9
136.05284	2.8
137.09660	2.0
138.06862	3.3
143.03569	1.8
148.76387	1.2
149.57213	1.2
151.07632	5.8
152.08400	22.3
153.09206	33.8
161.04509	2.9
161.09720	8.4
165.09183	6.8
178.10043	2.5
187.11275	16.2
191.10678	1.5
203.05701	2.4
205.12291	3.2
213.12820	1.5
231.13916	20.0
234.12726	2.1
240.76399	1.4
249.14952	33.4
264.25903	1.4
315.30566	1.5
393.19131	12.8
453.14572	2.5
453.21384	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	453.2131
Annotation	[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
Peak:m/z	Relative Intensity
55.86396	1.1
59.01379	100.0
70.77925	1.3
71.01374	36.4
73.02938	16.8
78.84508	1.2
83.01379	6.9
85.02940	21.4
87.00847	2.2
89.02448	9.4
95.01383	2.8
97.02987	1.5
99.00883	6.0
101.02427	40.2
113.02413	18.3
119.03530	2.1
120.69707	1.3
159.02977	2.1
161.04555	6.5
205.16072	3.1
231.13799	3.2
249.14906	9.9
268.42389	1.7
367.21231	16.1
393.19098	2.1
395.22873	1.5
411.20486	3.1
453.21384	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2129
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
54.71939	0.9
55.01896	0.9
57.05046	0.8
59.01376	100.0
64.04752	0.7
71.01367	18.0
73.02934	19.1
73.12098	0.9
80.44917	0.8
83.01364	4.0
83.05011	5.1
83.61893	0.8
85.02941	5.5
89.02428	5.3
91.53617	0.8
95.01372	1.8
97.06591	3.1
101.02433	14.5
109.10517	1.0
113.02432	14.3
125.02376	1.2
125.06056	5.4
127.04113	0.9
136.05350	1.3
137.09700	2.1
138.06854	4.0
149.04677	1.0
150.10597	1.0
151.07623	6.3
152.08406	18.9
153.09193	28.8
161.04515	4.1
161.09724	7.5
163.70470	0.9
165.09161	5.7
174.17923	1.0
178.10049	1.8
187.11279	12.4
191.10744	1.5
203.05627	1.2
205.12404	3.8
231.13908	15.1
249.07677	1.2
249.12482	2.0
249.14935	29.4
256.13409	1.0
275.81836	1.0
345.63754	1.1
393.19095	11.3
435.59515	0.9
453.21313	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2133
Annotation	Incaspitolide D
Peak:m/z	Relative Intensity
50.95924	3.6
56.36554	5.0
59.01377	100.0
71.01357	26.9
71.03773	4.5
71.25890	4.7
73.02934	73.6
76.97565	3.9
83.01385	10.2
83.10229	4.1
90.67236	4.6
101.02412	52.8
104.00546	5.2
113.02413	10.6
158.42924	4.6
182.19044	4.5
187.14903	62.3
423.64700	4.7
453.21460	83.6
479.53714	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	453.2132
Annotation	[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
Peak:m/z	Relative Intensity
55.01880	1.1
59.01376	100.0
71.01367	7.4
73.02921	7.3
85.02931	1.9
89.02448	1.8
101.02424	6.9
109.36863	1.2
112.66959	1.0
113.02432	5.7
124.48949	1.0
128.69150	1.0
138.31242	1.2
143.03508	1.6
161.04510	1.7
203.05643	1.2
249.14868	5.0
285.60538	1.4
393.18948	1.2
415.49002	1.1
453.21268	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	453.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13571	3.3
58.78394	3.4
59.01381	100.0
68.08462	3.4
71.01375	30.0
72.14243	3.7
73.02935	56.0
83.01376	15.6
85.02988	4.3
89.02449	3.8
98.76928	3.7
101.02431	47.0
107.81453	3.8
113.02426	17.8
119.20709	4.1
131.03558	4.2
142.05031	3.5
157.24287	3.7
161.04483	5.2
172.73709	4.7
188.53520	3.3
231.13998	3.8
371.97906	3.9
431.70593	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	453.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49041	0.4
59.01381	0.8
71.01374	0.5
74.56989	0.4
77.08978	0.4
82.19866	0.4
85.02964	0.6
92.19907	0.8
96.95996	7.4
98.95570	0.6
101.02448	0.5
106.31754	0.5
110.06111	0.5
128.03539	0.5
135.04515	100.0
145.19853	0.5
153.57980	0.5
161.04465	0.5
171.07773	2.8
189.08791	1.8
249.12444	34.0
274.12033	2.6
291.14642	57.6
302.06204	0.5
339.81226	0.5
387.82684	0.5
453.19919	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	453.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97058	1.7
53.94719	1.6
55.01872	2.0
57.82098	2.0
59.01377	62.5
64.20189	1.6
64.97952	2.0
68.65721	1.9
71.00987	2.3
71.01372	48.2
73.02924	19.6
83.01372	8.7
85.02935	31.9
89.02428	14.6
95.01400	3.3
99.00860	3.5
101.02425	51.1
106.43423	2.1
111.35903	2.0
113.02449	25.4
119.03436	2.0
141.44409	2.1
159.02953	2.3
161.04524	18.7
246.12544	3.1
249.13377	10.1
333.11966	4.3
338.71445	2.3
411.18756	37.5
434.70926	2.1
453.20050	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	453.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
59.01377	80.5
60.12324	2.6
63.70581	2.6
64.98260	2.3
71.01375	64.0
73.02942	28.1
79.03007	2.8
81.14672	2.9
83.01375	20.6
85.02943	37.4
87.00890	5.5
89.02431	20.9
95.01373	6.8
99.00851	3.5
101.02435	86.2
106.83587	2.7
112.94801	3.0
113.02434	44.0
122.20949	2.6
132.43024	2.6
132.55197	2.9
155.08273	4.8
159.02988	6.2
161.04539	21.1
172.10854	4.4
197.56421	2.9
249.13448	14.0
291.14532	3.2
357.43536	3.5
411.18668	65.5
453.19809	100.0
474.07346	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	453.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57039	7.7
69.85239	8.0
88.84235	7.0
91.54338	8.4
92.19917	17.2
110.80283	7.9
113.69533	8.6
120.99627	100.0
195.31615	8.1
220.88080	8.7
287.51169	9.3
317.90775	8.5
349.20224	12.1
394.12802	10.4
433.19199	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	453.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67442	2.3
55.01875	3.7
59.01380	75.3
59.72414	2.1
65.51094	2.3
68.43884	2.7
71.01376	59.2
73.02948	21.1
77.57469	2.3
83.01380	11.3
85.02948	37.8
87.00867	3.9
89.02422	13.1
93.25787	2.4
95.01385	5.1
99.00893	4.3
101.02434	74.7
113.02425	34.2
119.03511	3.0
125.02367	3.7
159.02994	4.3
161.04524	21.2
189.06729	13.0
203.08231	5.4
249.13435	16.8
323.12485	15.0
393.18103	4.2
411.18713	57.1
452.33023	2.6
453.13583	4.1
453.19885	100.0
462.73334	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	453.1898
Annotation	3'-O-Methyl-5'-hydroxydiplacone
Peak:m/z	Relative Intensity
58.57652	2.1
72.05838	2.2
73.60436	2.2
78.95894	12.9
95.34656	2.3
96.95986	4.0
96.96942	26.5
99.51733	2.4
103.65029	2.4
133.63655	2.3
223.74146	2.7
254.05713	2.6
344.17807	2.4
431.15103	2.8
446.11078	2.4
453.18942	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	453.1945
Annotation	Ambiguine F isonitrile
Peak:m/z	Relative Intensity
59.01377	44.2
76.02071	1.6
89.67299	1.6
126.62099	1.6
132.90262	1.6
149.90437	1.7
178.16666	2.0
193.76503	1.8
243.60201	1.8
279.23267	78.7
286.83292	1.9
409.21103	2.5
453.19513	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	453.1802
Annotation	Geijedimerine
Peak:m/z	Relative Intensity
50.76858	1.0
53.22818	1.1
58.99603	11.5
59.01376	58.2
62.70082	1.2
71.01374	21.4
72.71149	1.2
73.02930	5.9
74.99094	1.7
83.01350	1.6
83.96445	1.2
85.02939	6.4
87.00871	1.7
89.02439	25.9
92.19869	2.0
101.02435	24.3
102.98586	13.6
113.02415	13.9
119.03471	8.5
136.57878	1.4
161.04532	4.9
161.10068	12.5
190.45232	1.2
212.83113	1.2
250.21513	1.4
323.15289	10.1
393.15884	9.5
411.16861	16.2
453.18051	100.0
456.96039	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	453.1618
Annotation	CHEBI:79045
Peak:m/z	Relative Intensity
50.45353	0.6
53.71064	0.7
53.91489	0.6
57.03422	0.6
59.01379	10.6
64.64107	0.6
64.92111	0.7
71.01376	9.2
72.99274	1.7
73.02940	3.1
75.00859	7.8
85.02933	7.1
87.00869	1.6
89.02424	3.3
99.00879	6.7
99.33422	0.7
101.02425	4.7
113.02409	9.8
115.00368	0.9
115.07631	100.0
124.79904	0.7
143.03453	0.8
157.01366	2.8
161.02527	0.9
161.59239	0.7
175.02377	0.8
188.07076	1.6
217.03641	1.2
277.05585	3.7
319.06693	3.0
325.15701	0.7
337.07721	5.9
366.51065	0.8
453.15961	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	453.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86162	0.7
59.01380	100.0
60.62624	0.8
61.33335	0.8
140.68346	0.8
184.77269	0.8
225.39824	0.7
234.94202	0.7
324.34323	1.0
359.37680	1.0
453.19220	1.2
467.01852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1587
Annotation	CHEBI:79045
Peak:m/z	Relative Intensity
55.78527	6.6
59.49235	9.6
69.79319	7.8
72.76132	7.5
83.70519	8.5
91.09924	9.0
99.92554	52.2
100.93358	18.0
106.59989	8.5
115.92038	18.8
116.92841	49.3
137.59811	9.3
154.96240	12.8
160.84169	100.0
216.83829	10.0
291.19699	38.9
417.13831	46.0
435.14648	13.6
453.04019	51.9
453.16183	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1614
Annotation	CHEBI:79045
Peak:m/z	Relative Intensity
52.63963	1.5
55.01838	1.6
57.03436	3.2
57.52948	1.7
59.01380	47.3
62.14179	1.6
71.01368	55.7
73.02940	15.5
83.01378	7.8
85.02932	21.1
87.00832	7.3
89.02431	41.5
95.01341	3.5
96.95980	10.4
99.00859	3.8
101.01812	2.0
101.02431	48.5
111.00892	1.7
113.02425	31.3
119.03455	11.1
125.02459	2.8
131.03477	9.8
143.03432	2.2
158.82791	1.8
159.03040	5.6
161.04561	29.0
179.05553	10.1
221.06679	19.0
249.12485	2.9
263.07584	8.0
272.30484	2.0
281.12161	1.8
291.10818	3.1
318.66797	1.9
383.28128	1.8
411.18073	7.4
440.78882	2.1
453.16028	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	453.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01432	0.3
59.01369	2.5
71.01360	2.3
72.99283	0.5
73.02929	0.7
77.94353	0.5
79.08925	0.4
79.95729	4.2
80.96509	15.6
85.02956	0.9
87.00880	0.5
89.02451	0.8
89.70294	0.4
101.02441	2.1
105.45341	0.4
109.43962	0.4
113.02431	0.9
114.10901	0.4
119.00941	0.4
119.03555	0.4
149.06033	0.4
154.98323	0.4
155.69016	0.4
162.49593	0.5
163.00627	0.4
165.48959	0.4
181.67752	0.4
189.99403	12.7
191.00208	0.4
247.22478	0.4
273.08005	13.5
275.09467	1.5
279.73566	0.4
291.09018	2.0
333.09930	0.6
338.85123	0.4
371.17096	0.7
389.19101	0.4
435.13470	1.8
453.14377	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	453.1437
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
52.36567	0.3
57.64567	0.3
58.23779	0.3
59.01379	1.3
65.71296	0.3
67.00965	0.3
71.01376	0.8
73.02930	0.4
78.95888	0.6
79.95728	6.1
80.96508	12.6
82.55326	0.3
89.02445	0.6
89.11687	0.3
96.95989	1.7
96.96960	0.6
101.02431	1.7
180.04256	0.4
189.99416	19.5
191.00200	0.5
191.10864	0.7
195.06584	0.6
209.11848	0.7
225.07745	0.4
273.08026	4.1
291.09103	1.9
313.10391	0.3
371.17056	2.1
392.89810	0.4
453.14359	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	453.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95498	0.4
55.68548	0.4
58.66710	0.4
63.30942	0.4
75.17568	0.4
76.97672	0.5
78.95895	75.8
97.23468	0.6
110.89902	8.3
110.98513	100.0
116.34431	0.5
124.55244	0.4
205.02937	0.5
316.82343	0.5
453.10233	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	453.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
71.01383	1.9
72.99307	13.2
75.00865	85.0
101.02421	1.8
101.96675	0.9
122.42606	0.9
130.08745	0.9
141.07373	1.1
147.96887	0.9
149.52429	0.9
150.03239	9.9
151.03992	5.0
165.01828	1.5
165.05568	26.3
166.02708	15.8
180.04318	6.6
181.05074	41.9
192.19000	0.9
195.06647	8.8
196.03712	1.0
201.65778	0.9
279.57977	0.8
411.17822	1.2
453.13974	100.0
453.18597	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	452.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21704	1.1
59.01383	18.0
61.98829	100.0
65.17476	1.2
71.01370	2.0
73.02930	6.2
81.20292	1.3
101.02448	5.0
161.04509	2.0
172.21210	1.3
246.00711	1.3
416.81686	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	452.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68507	0.8
56.44019	0.7
57.88468	0.7
75.98174	0.6
78.95891	8.6
90.69453	0.7
110.72129	0.7
122.00115	0.7
140.01183	4.6
196.03792	9.5
197.46884	0.8
214.04811	1.1
255.23299	100.0
365.17273	0.8
452.27911	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27872	4.2
58.62610	5.0
92.09000	5.5
134.86877	5.2
208.96873	4.9
255.23285	100.0
415.07813	6.7
445.30731	5.8
452.27814	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	453.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
59.16811	0.3
73.19508	0.3
79.95724	1.7
84.54204	0.3
89.31678	0.3
92.19421	0.7
96.95994	100.0
100.41102	0.3
184.78496	0.3
187.11256	0.6
201.43935	0.4
362.16644	0.3
433.59476	0.4
453.08582	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	453.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51296	0.5
51.31286	0.5
53.75956	0.5
57.37510	0.5
57.72775	0.5
73.60203	0.6
78.95896	82.4
95.86149	0.6
110.98514	100.0
129.81900	0.6
191.69258	0.6
217.23178	0.7
240.88469	0.7
244.01956	0.7
263.52679	0.6
323.55011	0.6
391.44919	0.7
453.10196	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	451.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.1
57.03440	2.0
59.01125	2.2
59.01380	39.1
71.01379	49.5
73.02942	18.8
83.01372	11.7
85.02944	27.6
89.02418	11.4
95.01377	3.2
99.00890	3.0
101.02431	41.1
104.26629	1.7
106.89288	2.0
113.02444	25.9
123.92142	2.0
125.02425	2.0
128.03537	3.7
161.04529	12.8
283.28616	2.1
289.16702	16.9
303.00006	1.8
451.15753	3.6
451.21817	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	451.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79963	8.5
52.31106	7.9
59.01371	100.0
70.50134	9.0
75.11343	8.8
82.77771	8.1
83.98353	9.2
86.23744	8.4
90.34740	10.0
91.30111	8.9
255.95348	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	451.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38872	0.5
55.30851	0.6
58.02961	0.9
59.01370	6.0
67.21859	0.7
82.05913	0.7
88.03812	0.7
95.05015	1.3
112.07664	15.8
113.06063	1.3
119.96405	0.7
129.10332	8.1
130.08708	17.3
155.24635	0.6
159.26073	0.6
161.74814	0.7
189.62523	0.7
207.15013	9.7
208.13422	0.7
224.17686	11.4
225.16072	20.4
242.18837	1.0
320.23529	4.5
337.26166	10.7
338.24435	1.0
352.00546	0.7
400.14532	0.8
433.31851	18.1
451.32889	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	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86319	1.7
52.51884	2.0
58.98521	2.3
59.01114	3.4
59.01380	38.0
71.01376	49.7
73.02937	20.4
79.11000	1.9
83.01387	9.5
85.02931	34.2
86.93837	2.1
89.02419	9.2
92.20023	2.5
95.01389	4.6
99.00883	4.3
101.02423	43.6
113.02412	19.9
141.79083	2.3
148.58405	3.0
161.04530	9.7
264.27213	2.4
272.44745	2.4
289.16641	17.8
359.44861	2.7
402.47293	2.9
449.28748	2.5
451.21829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19035	0.4
56.84502	0.4
59.01375	1.7
64.08051	0.3
71.01382	0.6
71.97054	0.4
73.02927	0.4
79.95733	1.0
85.02914	0.5
88.04021	1.6
89.02418	0.6
96.95997	100.0
101.02455	0.5
113.02409	0.7
115.00349	0.7
124.72064	0.4
132.03004	2.0
136.30977	0.4
144.94576	0.4
173.07141	3.4
327.44885	0.4
353.21979	1.0
369.84686	0.4
407.14673	0.5
409.17120	1.9
413.57104	0.6
451.13361	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	451.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06248	3.7
57.03444	5.7
58.81112	4.1
59.01385	53.6
71.01370	55.8
72.35853	4.1
73.02936	16.9
74.33950	4.4
83.01378	6.9
85.02940	37.6
89.02440	20.4
91.16246	3.4
99.00885	5.1
101.02440	44.2
113.02473	31.4
125.02431	5.4
135.64061	3.6
161.04579	15.2
168.00635	15.8
198.87378	4.0
208.07899	4.2
226.98447	4.1
233.53453	4.2
289.16748	6.1
429.21442	22.0
451.08646	8.0
451.21893	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	451.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19035	0.4
56.84502	0.4
59.01375	1.7
64.08051	0.3
71.01382	0.6
71.97054	0.4
73.02927	0.4
79.95733	1.0
85.02914	0.5
88.04021	1.6
89.02418	0.6
96.95997	100.0
101.02455	0.5
113.02409	0.7
115.00349	0.7
124.72064	0.4
132.03004	2.0
136.30977	0.4
144.94576	0.4
173.07141	3.4
327.44885	0.4
353.21979	1.0
369.84686	0.4
407.14673	0.5
409.17120	1.9
413.57104	0.6
451.13361	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	451.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01429	4.3
54.12476	5.0
58.53135	4.6
59.01377	100.0
59.13079	4.4
71.01379	77.2
73.02950	39.8
83.01377	12.6
85.02935	43.0
88.88731	4.9
89.02426	53.4
95.01365	6.1
101.02428	92.0
113.02428	44.4
119.03487	8.4
128.37152	5.2
131.03491	10.1
140.90468	5.1
142.12561	5.0
146.88594	5.0
159.26491	4.8
161.04562	31.9
179.05569	11.7
221.06636	34.6
409.17117	43.6
451.18198	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22721	1.7
55.01875	4.7
57.03437	2.1
59.01379	53.4
71.01379	59.6
73.02940	20.8
77.03394	2.0
83.01381	12.4
85.02927	33.7
87.00848	2.4
89.02434	16.7
95.01359	3.4
99.00865	10.0
101.02433	56.0
113.02431	35.6
125.02397	3.7
159.03003	2.7
161.04573	21.2
217.14117	2.3
225.30423	2.2
243.11555	2.5
247.11775	4.2
254.55093	2.1
409.17194	36.1
451.12149	4.0
451.18188	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	451.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	2.0
59.01379	39.0
59.92512	1.5
64.87042	1.5
71.01379	15.8
73.02926	2.7
74.54864	1.7
75.00856	2.1
84.25891	1.7
85.02924	2.2
87.00852	3.6
89.02444	9.7
96.40331	2.2
96.96014	2.0
101.02425	9.3
113.02415	6.9
119.05001	10.7
122.06075	2.4
123.03197	3.7
127.32446	2.2
136.04005	14.6
149.04799	8.9
150.05682	3.1
152.07153	20.6
176.73265	1.8
186.06700	2.6
200.10774	2.7
214.07433	10.0
224.10812	3.1
228.10402	2.7
238.07547	17.8
242.07028	14.5
243.11385	58.4
253.09720	19.1
254.10661	2.7
255.11485	3.7
256.08414	2.4
266.07037	3.3
267.11411	9.0
271.10880	100.0
285.12555	7.9
295.10870	3.1
313.11993	18.3
330.82849	2.0
407.18954	4.0
451.11887	3.3
451.21616	3.5
453.31802	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	451.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85004	0.9
59.01376	16.9
61.98814	1.5
68.32711	1.0
71.01360	1.1
85.02975	1.3
87.00850	4.7
97.10047	1.2
101.02399	1.5
114.04283	1.2
116.05043	95.4
127.26424	1.2
130.06602	10.1
156.08167	4.8
160.07790	1.2
168.08160	5.8
169.05309	2.4
170.06110	5.5
184.07632	2.9
189.51085	1.1
201.64941	1.2
212.07109	2.8
243.09241	1.9
244.10083	2.8
257.10873	7.2
259.12378	67.6
269.10840	2.6
281.10660	1.5
283.12305	6.8
285.13977	7.3
287.11917	5.9
301.13504	7.8
329.12943	2.6
331.10913	8.7
358.98291	1.3
391.12994	11.4
451.15115	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	451.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.0
71.01358	1.3
82.37059	1.2
85.02929	1.8
88.75175	1.2
92.70541	1.0
96.27924	1.0
101.02452	1.1
113.02440	1.4
122.16702	1.2
149.02502	1.7
151.00348	5.3
164.04761	20.6
166.02698	64.4
179.07138	14.3
181.05064	100.0
232.10976	1.1
237.07697	1.8
255.08665	5.0
275.03812	1.1
451.16058	35.1
451.21671	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	451.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48358	2.0
52.36318	1.9
54.08202	2.5
57.03443	3.6
59.01373	49.1
66.05685	2.5
71.01368	12.9
73.02925	4.3
73.84068	2.5
85.02908	3.5
87.00844	5.5
89.02408	9.8
92.08138	2.1
99.00883	17.2
100.66938	2.5
101.02412	15.5
106.88184	2.2
113.02452	5.1
117.49889	2.1
123.08110	3.0
125.02527	2.3
125.09615	2.4
139.11259	12.2
139.37924	2.4
147.08124	2.8
149.09694	100.0
151.06056	5.7
151.07596	3.2
159.10448	2.5
167.10742	2.8
177.05577	2.8
181.61302	2.2
183.10225	14.9
193.08670	32.6
213.07614	10.4
237.07658	57.0
255.08641	3.6
269.34659	2.4
391.15891	3.9
407.15503	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	451.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
71.01385	15.8
74.03318	1.2
78.77394	1.2
88.04036	41.8
88.88494	1.1
90.34751	1.1
96.95993	6.5
97.58403	1.0
98.07889	1.2
101.02437	8.8
113.02441	1.4
114.01957	1.7
115.00370	19.1
130.06592	8.3
132.03012	53.9
156.04539	2.5
173.07193	84.2
200.07172	1.7
245.09433	2.1
318.19739	1.5
335.12573	6.1
336.10757	2.6
368.54190	1.3
433.12219	2.5
451.13614	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	451.136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39410	1.1
51.55589	1.0
59.01395	1.8
71.01379	15.4
73.02927	1.4
85.02890	1.3
88.04031	39.5
88.31132	1.4
95.73009	1.5
96.96007	5.9
101.02423	7.7
113.02441	1.6
115.00338	17.4
130.06601	2.5
132.03014	44.0
145.98688	1.3
153.75882	1.1
156.04532	4.8
161.57861	1.4
173.07191	84.6
214.08704	1.7
229.51906	1.2
245.09277	1.6
269.68225	1.3
292.12036	3.0
335.12436	4.7
336.10880	5.3
395.16983	1.1
433.12610	2.9
451.13623	100.0
471.23041	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70827	2.2
57.11355	1.9
57.40028	1.9
58.31247	2.0
59.01086	4.3
59.01379	100.0
60.17173	2.1
61.98829	39.3
68.17535	2.3
73.87334	2.1
85.12327	2.2
91.04005	5.5
94.07632	2.3
96.36510	2.2
104.03993	2.3
113.91241	2.5
148.76071	2.1
151.87094	2.2
152.99582	3.2
175.33153	2.1
240.87787	2.3
255.23270	17.6
398.67261	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	450.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83028	4.6
56.12485	4.8
57.42484	5.4
76.20206	5.5
95.94327	5.2
103.21838	5.0
125.99420	5.5
173.36220	4.7
187.35522	4.8
189.28079	5.2
253.21730	100.0
330.87097	5.8
345.04550	5.1
450.26154	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46879	2.4
66.71008	2.2
67.60079	2.7
71.89408	2.6
77.26022	2.6
84.03072	2.6
136.51195	2.6
154.71466	2.6
183.46562	2.7
253.21701	100.0
299.78003	2.6
450.13745	3.2
450.26321	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	449.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03436	0.9
59.01377	100.0
71.01371	16.7
73.02918	5.7
83.01360	4.0
83.78748	0.8
85.02927	9.1
87.00845	3.0
89.02419	5.3
96.95995	1.0
99.00877	1.8
101.02409	12.9
111.00846	1.0
113.02415	8.0
123.04558	0.8
161.04549	1.4
170.73853	0.7
223.21590	0.7
245.21225	1.2
307.10492	1.4
389.25504	29.6
407.22488	3.6
407.27078	11.2
449.14212	1.5
449.23053	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	449.2756
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
50.38181	4.7
59.01370	91.9
60.19585	5.2
71.01363	11.1
79.64589	5.3
85.02916	6.0
92.19604	12.2
101.02411	19.5
159.02855	6.1
185.63850	5.5
296.41846	5.9
351.62903	5.6
449.27469	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	449.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.1
71.01367	16.4
77.10990	4.3
82.04114	7.7
84.36718	4.3
89.02438	6.3
97.80545	4.4
101.97855	4.4
102.33022	4.0
120.99596	9.5
141.09207	87.2
150.91895	5.0
155.85884	4.6
200.05597	6.1
214.68921	4.4
224.14047	100.0
273.96091	4.7
405.24844	7.8
449.19955	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	449.2404
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01888	1.1
57.03443	1.2
59.01081	1.5
59.01377	41.1
66.16533	0.7
68.17937	0.7
68.42692	0.6
71.01371	17.0
72.99290	0.9
73.02937	8.4
82.12977	0.7
83.01371	3.4
85.02940	9.9
87.00874	3.2
87.04526	1.3
88.29588	0.6
89.02430	14.6
95.01365	1.6
95.33590	0.6
99.00861	1.3
101.02429	20.7
111.00883	1.3
113.02443	10.6
119.03494	4.0
127.05157	5.6
131.03548	1.0
161.04587	1.0
167.10756	0.8
179.11913	1.0
189.16518	1.0
195.06783	0.9
197.12984	1.1
209.34372	0.7
231.11391	1.5
240.63004	0.7
249.12483	7.2
258.97797	0.8
269.17621	1.3
275.32990	0.8
357.77933	0.8
363.24139	0.9
389.21826	0.9
401.21613	1.1
431.22913	10.3
449.23889	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	449.2547
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
62.60461	1.7
66.35457	1.8
71.97092	1.7
73.02932	1.8
80.13654	1.7
133.02943	20.3
134.03717	7.1
148.05295	8.1
161.02420	2.8
161.06044	2.3
162.03171	7.5
177.01912	10.9
177.11493	1.9
178.02756	6.3
186.62976	1.8
204.11465	3.2
219.41008	1.9
233.08087	3.6
260.17563	2.1
261.11401	3.5
272.31717	1.9
289.14523	2.7
303.16162	2.9
317.17538	2.4
360.19379	16.4
361.20221	6.9
373.23779	10.1
375.21762	29.8
399.21738	7.3
404.53360	1.9
416.22211	2.7
417.22855	2.6
431.24432	14.6
434.23184	17.4
449.25443	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	449.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73740	1.3
59.01089	2.8
59.01376	60.4
71.01372	13.4
74.27657	1.3
85.02918	2.5
89.02421	18.0
99.04494	7.4
101.02452	9.6
113.02413	5.6
119.03486	5.0
138.83315	1.3
141.82614	1.3
142.90009	1.2
161.18210	1.3
163.47076	1.3
165.12787	7.1
173.83572	1.5
185.09274	1.8
189.12801	2.0
207.13869	15.2
209.11853	44.8
209.83139	1.5
225.14928	3.3
247.52956	1.5
251.12900	5.4
269.11185	2.5
269.13928	52.7
449.20209	100.0
451.12988	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	449.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.7
67.01173	0.7
67.14983	0.6
77.77452	0.8
78.64825	0.9
78.95897	4.2
96.95995	100.0
96.96889	8.0
100.37585	0.7
197.20564	0.8
224.08842	0.8
449.20004	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	449.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45861	61.4
53.63223	59.1
58.34797	61.3
58.82169	77.2
59.01385	67.6
60.35674	65.4
65.17977	58.2
66.27612	67.2
70.44023	68.1
78.26682	70.2
82.04140	73.8
152.99545	100.0
474.13702	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89534	1.3
58.65128	1.4
59.01378	100.0
65.35165	1.3
69.49712	1.3
73.05309	1.4
79.35126	1.4
95.89564	1.7
96.96005	6.2
101.85145	1.6
137.65654	1.6
159.46548	1.6
164.04770	9.3
179.05586	2.2
179.07123	34.2
227.09225	15.0
249.12447	37.6
251.14009	64.1
292.57922	1.8
333.18121	3.6
411.18219	3.7
413.19397	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	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81985	1.6
57.91045	1.5
59.01375	60.3
60.72897	1.5
71.01373	11.9
73.02932	100.0
78.94337	1.9
83.01371	2.9
85.02926	3.0
89.02421	10.6
96.58088	1.6
101.02427	26.4
113.02412	11.2
119.03439	2.0
121.10194	2.5
125.06051	2.5
132.92900	1.8
138.14673	1.9
161.02371	7.1
161.04497	2.2
183.10138	2.6
221.70891	1.9
389.21844	3.1
395.77051	2.3
405.12131	3.4
405.17578	95.7
445.89240	2.2
449.20200	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	449.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30195	0.8
55.37573	0.9
56.69131	0.8
59.01379	100.0
71.01364	1.6
72.79248	0.9
73.64384	0.9
87.78194	1.0
90.73126	1.0
96.95999	14.1
112.66742	0.9
115.00350	2.0
120.99667	4.5
152.04782	1.7
189.42398	1.1
212.06905	15.8
227.09256	29.4
258.85089	1.0
267.95410	1.1
313.63666	1.2
333.18118	6.3
445.91580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23565	3.0
59.01372	22.0
60.99279	3.5
121.02900	5.8
125.02455	3.6
138.03166	4.8
150.07501	3.5
153.01918	4.3
153.05539	8.9
163.16223	3.3
166.06268	6.1
168.04356	4.8
172.35289	3.9
176.01151	5.8
177.01929	4.8
178.02687	5.3
180.04300	4.7
191.03526	16.8
192.04182	4.8
193.01346	14.6
193.05064	18.6
207.06538	35.7
208.03723	31.4
209.04543	7.4
223.06123	24.6
225.07637	5.7
228.07953	16.3
243.10254	20.7
279.74744	3.7
303.08777	4.0
355.25299	3.9
449.14572	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	449.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78102	0.3
59.01373	7.5
63.52460	0.3
71.96153	0.4
79.95733	0.9
80.24414	0.3
81.17281	0.4
85.02953	0.4
87.00915	0.4
87.91867	0.4
96.95993	100.0
98.95571	1.8
101.02450	0.5
108.23158	0.4
109.48517	0.3
110.05701	0.4
113.02415	0.4
135.81448	0.4
148.99419	0.4
260.02539	0.4
266.72018	0.4
287.18707	0.7
351.13089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67067	4.1
58.41524	3.8
59.01376	40.1
59.58332	5.6
71.01349	7.8
71.41251	4.8
73.02934	8.2
85.02945	7.7
89.02403	10.6
99.04474	6.9
101.02432	8.4
102.98559	8.0
103.36769	6.5
108.35860	5.3
113.02437	7.4
114.40766	5.5
120.99680	5.9
129.05650	7.1
138.03227	42.5
139.00351	38.9
153.05579	20.8
165.01955	6.2
166.02707	8.5
170.11357	5.3
180.04175	25.5
195.06578	10.5
205.05089	27.0
219.02962	7.5
223.06119	7.7
225.07504	6.7
233.04410	8.0
247.06076	7.2
277.11115	7.1
355.08234	10.3
363.20233	12.2
371.07727	22.1
386.10104	9.3
401.12473	42.1
405.21066	10.2
413.12906	7.6
419.13599	11.3
431.13391	44.0
449.13797	100.0
449.19263	33.8
449.24149	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	449.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
77.50797	0.3
79.95734	1.4
85.20216	0.3
92.19955	0.4
96.95995	100.0
99.55179	0.3
127.07660	1.2
149.37154	0.3
149.53906	0.3
162.56926	0.3
171.06607	0.3
189.07672	2.4
190.93869	0.3
306.12573	0.3
351.12967	3.6
364.88998	0.4
405.69290	0.3
449.10281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02816	3.1
94.52709	3.3
120.01203	15.3
148.04343	5.5
178.58789	3.5
219.15005	4.8
250.44487	3.9
327.21622	7.5
332.99622	3.7
448.22763	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	449.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77224	0.3
55.32223	0.3
59.01379	12.0
71.01363	2.4
73.02937	0.5
79.95732	0.3
83.01389	0.4
85.02956	0.4
89.02433	0.7
96.95991	100.0
97.02938	1.5
101.02419	2.9
113.02402	1.9
120.99591	0.5
125.02431	2.7
127.07656	1.5
131.30692	0.4
143.03494	0.4
154.53809	0.5
161.04544	1.4
164.04735	0.7
165.05571	2.1
170.62788	0.4
179.07094	2.9
189.07674	2.7
191.35785	0.5
194.92769	0.6
196.48024	0.4
220.54308	0.4
221.06674	0.5
227.09187	1.4
249.12440	0.5
333.18225	0.6
351.12872	2.8
449.12491	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	448.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11257	1.0
59.01351	1.4
63.63060	1.0
64.11555	1.0
66.86136	1.0
96.61149	1.1
97.05315	1.6
107.10746	1.1
123.53178	1.4
147.04436	2.3
164.07158	4.6
182.91000	1.1
187.08795	8.3
202.11151	1.9
203.11897	4.9
227.11780	1.4
245.10619	2.5
246.11324	1.3
281.58496	1.1
329.92780	1.2
355.22040	1.3
362.22510	1.7
404.23694	4.5
448.22437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3481
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
58.32233	1.8
61.98831	2.0
67.02881	2.0
77.41424	1.8
78.95897	24.6
108.49038	2.0
136.01634	30.7
137.02403	5.1
152.99577	72.1
223.06120	2.0
247.21083	2.1
383.33371	8.8
401.34073	2.5
403.35898	17.8
447.21967	13.6
447.34778	100.0
456.46582	2.3
467.06393	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	448.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06214	0.3
70.24319	0.4
71.89848	0.3
72.32490	0.3
79.95710	0.5
93.07811	0.3
96.95992	100.0
171.26408	0.3
194.92737	23.3
296.14133	0.4
422.07098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44743	0.7
58.84651	0.8
59.01389	1.8
78.03221	0.8
88.06199	0.9
96.96000	1.8
98.51381	0.9
112.89106	0.8
135.04503	2.1
141.13736	1.1
154.82057	1.0
185.03406	1.2
199.05159	7.9
228.04141	76.2
241.06154	0.9
242.05707	87.7
248.09241	1.2
250.10822	1.9
252.04314	1.0
254.05721	18.7
266.05688	9.3
270.05206	3.8
344.08829	22.2
362.10236	1.5
386.09869	1.9
404.10986	100.0
418.84360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61649	0.5
52.17808	0.5
61.98826	100.0
67.90194	0.6
71.37466	0.5
82.15496	0.5
100.84361	0.6
191.40886	0.6
215.47589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23618	0.6
61.98829	100.0
64.66306	0.7
66.29709	0.6
76.10957	0.7
92.19899	0.8
137.79007	0.7
218.81610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.0
71.01382	4.9
73.02930	14.2
82.39359	1.1
89.02421	10.2
91.03992	16.1
97.06583	9.1
99.05608	1.3
101.02433	1.1
105.01931	2.6
115.07635	1.4
137.71227	1.1
157.09821	1.6
185.09309	1.4
185.12924	1.9
187.20866	1.2
189.12892	9.3
209.15462	1.1
257.17569	19.3
277.19034	1.2
283.19421	1.4
294.48492	1.2
337.23819	8.0
341.16870	1.2
343.18024	1.3
355.24921	43.9
373.25952	1.7
403.19727	2.5
411.37726	1.0
429.28772	1.4
447.25024	5.5
447.29797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.0
78.95892	10.2
80.70701	0.4
85.06577	18.9
103.91217	0.5
104.83401	0.4
149.00073	8.9
158.92494	0.6
179.01131	1.2
182.22702	0.6
285.22131	1.0
286.00943	0.5
287.20200	0.7
301.21732	2.9
303.23386	2.5
305.24875	1.0
305.39478	0.5
306.57266	0.5
330.13892	0.6
331.22784	8.1
349.23810	28.0
361.24042	0.6
387.28827	2.2
403.32309	1.1
417.12106	1.0
447.13446	100.0
447.31146	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68639	1.5
56.40877	1.5
58.18150	1.7
78.95876	9.5
93.86395	1.8
127.11279	2.6
152.99538	9.7
157.12256	4.6
167.14352	2.7
191.59132	1.9
213.14902	7.0
325.05667	1.9
447.13397	34.7
447.21344	7.5
447.33298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2602
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
53.34006	0.9
56.73425	1.1
56.96928	1.0
57.03440	1.8
58.36800	1.1
58.60704	0.9
59.01375	27.8
68.92384	1.1
69.68659	1.0
71.01372	12.8
72.99296	1.1
73.02942	2.3
83.01371	2.4
85.02928	5.5
87.00840	1.7
89.02442	1.7
92.19975	1.3
95.01363	1.2
101.02442	9.4
111.25627	1.2
113.02422	2.5
124.01658	1.7
125.02481	1.3
219.18661	1.3
225.18558	1.7
243.19632	47.0
260.59979	1.4
334.37875	1.3
387.23886	17.8
405.24896	54.9
447.13556	16.7
447.26004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05034	0.7
50.78541	0.7
56.97857	0.8
59.01377	100.0
62.99920	0.8
71.01372	12.8
73.02932	6.2
79.44790	0.8
82.28630	0.8
83.01382	3.6
85.02932	5.3
87.00875	6.5
87.04488	3.4
89.02425	5.3
89.20629	0.8
95.01368	1.0
99.00890	1.3
101.02449	10.0
107.86090	0.8
113.02451	8.7
115.47229	0.7
119.03428	1.3
140.56392	0.9
175.81166	0.9
199.13322	1.0
215.07166	1.2
234.62122	0.8
361.49146	1.2
387.20026	1.6
387.23975	18.6
403.23315	1.4
405.25018	10.1
416.01337	1.0
447.16949	18.1
447.22122	6.4
447.26175	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	447.2599
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
59.01366	12.8
71.01368	5.8
96.03065	2.7
146.66467	2.9
168.09358	3.1
185.11797	11.7
249.18565	3.6
267.19641	5.2
285.20618	20.4
349.03198	3.1
447.20447	4.1
447.26062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10250	0.9
55.85280	1.0
59.01374	100.0
71.01369	24.4
71.09824	0.9
73.02917	7.8
75.00859	5.4
75.98757	0.9
75.99265	0.8
79.12708	1.0
83.01369	1.9
85.02930	13.1
87.00800	1.3
89.02441	9.9
90.47479	1.1
95.01390	1.8
96.95986	5.6
96.96920	1.2
99.00900	1.1
101.02432	17.2
102.77723	1.0
107.38658	1.0
113.02438	16.4
116.14951	1.0
116.62788	1.1
119.03486	2.6
133.10071	1.0
153.12842	5.0
161.04468	1.6
199.13368	6.6
223.05911	1.4
225.14951	2.7
382.24442	1.1
387.19296	8.3
387.24530	12.4
403.19629	2.2
405.21127	8.3
405.25027	7.2
447.16318	1.8
447.21939	25.9
451.77536	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	447.26
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
59.01376	8.1
71.01372	8.2
73.02915	1.8
83.01385	0.9
85.02929	4.2
89.02411	3.2
99.00854	1.8
101.02420	6.8
113.02414	4.2
119.03544	0.8
121.01945	0.8
127.11285	1.2
159.79263	1.0
162.82089	1.0
171.10257	12.5
231.18391	0.9
265.18045	1.1
267.19641	13.1
269.21234	10.9
285.20706	62.4
308.46545	0.9
339.26587	0.8
389.34961	1.0
447.25974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70016	53.4
59.01362	92.7
59.12013	59.8
65.80257	75.3
72.51463	65.0
81.46046	74.9
122.93807	64.9
136.51682	63.6
229.77650	66.8
234.28511	79.3
303.78592	70.9
447.34933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33455	54.0
64.17323	56.1
66.23077	49.9
75.30011	48.8
76.03475	51.4
83.48641	54.1
109.73792	60.0
112.20151	59.1
134.70898	56.8
152.99527	100.0
198.39639	64.4
219.51645	67.8
240.17018	57.7
249.03128	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.252
Annotation	Mappain
Peak:m/z	Relative Intensity
58.08275	0.5
63.75676	0.4
78.95895	4.5
98.83312	0.5
103.10203	0.6
110.98536	3.6
121.03484	0.6
122.75603	0.5
152.99561	2.9
167.01164	3.3
185.02228	2.5
221.84671	0.5
279.23291	100.0
304.37354	0.6
343.77338	0.6
447.25284	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	447.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.6
58.02975	0.9
59.01367	1.2
67.62930	0.7
72.04532	9.8
82.02976	4.0
84.04505	1.3
99.05645	7.8
101.07203	7.4
108.04536	1.5
112.07692	2.2
127.05138	1.4
137.09686	8.9
139.08760	16.6
140.07162	1.2
157.09785	13.3
160.08914	1.0
170.08066	0.9
185.12956	13.7
187.14519	12.3
189.12843	74.1
191.14464	12.3
212.10780	1.3
213.12431	7.0
231.13480	1.2
243.17143	4.1
244.56525	1.0
403.25708	1.4
429.23898	1.3
447.25052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51275	1.9
54.05011	1.7
57.03456	1.7
57.11427	1.6
57.83402	1.6
59.01377	33.2
68.32285	1.9
71.01379	4.1
73.02934	23.8
77.24194	1.7
78.55515	1.8
83.05029	2.0
85.02942	2.0
87.04507	1.8
89.02434	2.1
97.06564	2.0
101.06072	4.2
111.08118	8.8
113.02416	2.4
121.10188	3.2
123.08121	3.9
133.07715	2.1
139.07649	10.8
141.09207	11.7
227.03462	7.8
254.06674	2.0
255.02956	16.3
284.03265	22.9
284.80209	2.6
285.04047	3.4
343.21408	13.7
361.22336	91.8
403.18555	4.9
403.23395	100.0
443.59140	2.1
447.09290	20.6
447.15131	2.7
447.21927	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	3.5
59.01378	84.7
61.23575	2.2
71.01374	37.0
73.02937	14.2
85.02948	12.4
87.00852	3.0
89.02438	33.5
101.02425	32.4
113.02456	21.0
119.03477	12.9
135.04491	3.5
148.09737	2.2
152.08374	3.5
161.04512	2.6
188.52251	2.3
331.63553	2.3
363.52585	2.7
387.15378	3.9
387.20297	100.0
403.15506	7.8
447.18597	2.4
447.22552	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	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
50.15985	1.6
50.43580	1.4
55.01865	2.4
57.03438	2.6
57.40759	1.3
59.01372	59.3
70.06457	1.8
71.00977	3.5
71.01370	100.0
71.56797	1.6
73.02937	24.5
77.13987	1.5
82.14510	1.5
83.01388	12.3
85.02934	51.7
87.00840	1.9
89.02430	32.3
95.01377	7.3
97.02951	2.1
99.00851	14.6
101.02425	83.8
102.06705	2.0
113.02433	56.4
119.03462	6.6
125.02382	3.1
125.36558	1.7
131.03499	2.2
134.60753	1.8
138.81384	1.8
139.72125	1.6
143.03448	3.3
149.04475	2.1
159.02948	8.2
161.04536	33.9
271.00912	1.6
315.18143	89.1
387.20087	3.2
405.20920	2.7
418.02176	1.7
447.22287	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17903	1.3
57.03447	2.2
58.00574	2.1
58.30389	1.4
59.01379	27.9
73.02930	16.1
77.99095	1.4
85.06568	1.7
93.03461	3.2
101.06075	8.2
109.06552	2.0
111.08134	3.4
118.27484	1.8
121.10188	13.3
123.08136	7.1
127.07629	1.6
139.07610	14.4
141.09233	7.7
151.11253	2.1
203.09351	2.7
208.07631	1.6
243.56546	1.6
245.19003	1.8
250.12712	1.6
267.06516	3.3
289.16400	2.1
318.51523	1.8
343.21387	11.5
361.22342	99.8
368.11447	1.8
403.23364	100.0
447.22833	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67596	1.2
57.03429	2.2
58.00598	2.3
59.01379	25.2
60.24585	1.2
71.01382	2.5
73.02933	8.6
83.05054	1.3
85.02950	2.1
87.04499	5.4
99.08127	6.0
101.02458	1.4
102.95050	1.2
109.16010	1.3
111.08110	7.9
123.08110	1.4
127.07656	2.9
136.26588	1.2
139.07622	2.8
139.11259	1.4
141.09196	6.6
151.11235	5.8
153.09149	1.8
155.10756	8.5
167.10725	2.8
249.68459	1.4
261.13367	2.3
343.21323	11.8
355.24927	2.7
361.22302	76.4
402.36603	1.4
403.23361	100.0
447.22522	5.9
447.29694	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	447.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36443	1.6
56.42377	1.6
57.03444	3.5
59.01380	29.4
64.72155	1.8
69.03452	3.3
71.01357	2.1
72.81377	1.7
73.02950	13.4
76.29429	1.7
76.49252	2.0
87.04488	8.1
91.03998	3.2
99.08187	2.5
105.01923	3.7
109.06542	3.4
111.08135	3.5
118.06572	7.7
123.08102	2.4
129.09192	3.5
139.07687	2.1
141.09213	3.5
151.11263	30.8
163.11264	14.6
173.08194	18.3
243.15977	4.6
245.10432	3.9
261.13495	2.6
343.21201	13.0
355.24756	7.0
361.22327	65.3
361.26431	2.9
403.23386	100.0
447.15927	4.3
447.21606	91.7
447.29590	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
56.68656	1.8
59.01088	2.9
59.01379	82.9
66.99671	2.0
71.01365	31.6
73.02927	32.5
75.00853	10.9
78.65633	2.1
83.01377	9.9
85.02944	12.0
86.95481	2.2
87.00867	3.7
89.02419	10.9
90.23598	2.1
97.06534	2.3
101.02439	42.1
105.84799	2.4
113.02420	12.9
119.03470	3.4
144.93616	2.6
153.12842	9.0
154.24361	2.5
163.12706	2.2
164.07248	2.3
166.69458	2.2
199.13390	5.0
241.17873	3.1
290.94589	2.8
315.15717	2.5
387.23260	2.9
403.19162	4.6
403.23767	3.7
447.16623	14.6
447.22220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.25817	1.9
59.01374	60.5
71.01376	35.8
73.02935	41.5
83.01376	9.3
83.04284	2.2
85.02936	9.2
87.28305	2.4
89.02422	10.7
92.20020	3.1
95.70370	2.5
100.55517	2.2
101.02435	33.7
113.02428	5.6
118.06577	3.3
119.03477	3.4
123.66991	2.3
125.09698	12.1
135.37045	2.5
153.12820	2.4
162.37479	2.4
187.09785	11.2
199.13390	4.3
230.93954	2.6
299.22263	3.0
403.23334	5.2
405.20905	3.1
447.22272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08199	0.9
50.70147	0.7
51.57981	0.7
59.01084	1.7
59.01376	47.2
71.01368	16.6
73.02927	15.3
83.01376	5.4
85.02920	8.4
85.06596	0.8
87.00872	7.7
89.02413	8.3
92.20125	0.8
95.01380	1.1
97.02946	1.0
99.00876	2.3
101.02422	22.9
113.02429	12.0
119.03469	3.6
139.69432	1.0
143.03430	1.2
151.60147	1.0
155.14401	13.6
157.86713	0.9
161.04544	1.1
173.06070	5.4
181.15945	6.4
184.10550	0.8
187.07489	1.0
189.09193	1.2
199.13380	28.4
200.04610	1.0
215.07053	1.4
217.08598	2.2
218.09381	1.5
225.14931	5.6
227.07120	2.2
243.06694	1.6
387.20248	4.0
405.21124	13.0
447.16446	26.0
447.22308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
70.31126	0.6
70.96893	0.6
71.01369	16.3
73.02934	4.0
75.47443	0.7
83.01395	0.7
85.02930	4.8
88.57652	0.8
89.02423	14.2
93.60146	0.8
95.01413	0.8
99.00813	1.1
101.02428	12.7
113.02462	7.0
113.03120	0.7
119.03468	7.2
122.76988	0.8
161.04497	1.7
225.14967	1.1
244.27831	0.8
255.06726	0.9
387.20251	52.5
447.22510	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	447.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.8
72.22499	0.7
90.46320	0.7
96.37000	0.7
100.93401	0.8
103.90794	0.8
118.06586	9.1
147.04527	1.9
162.05522	0.8
164.07135	4.0
165.01965	1.0
185.87091	0.7
200.10760	1.8
245.10484	5.8
287.67252	0.8
351.01117	0.9
447.21634	100.0
474.73212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88238	1.3
53.22536	1.4
59.01383	11.9
60.77426	1.4
71.01383	1.7
71.94418	1.4
73.02942	7.8
77.60171	1.6
83.11732	1.4
84.59532	1.5
89.02440	3.9
91.04012	4.0
104.40086	1.5
118.06599	6.4
164.07100	1.6
165.01930	2.9
179.03502	2.0
180.04283	8.4
195.06688	12.5
200.10715	2.2
223.70747	1.6
241.22479	1.7
243.15955	6.3
245.10468	3.1
255.06770	2.0
265.00989	2.0
355.24988	3.9
410.16895	1.5
447.21646	100.0
447.29468	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2162
Annotation	Cochinchinone A
Peak:m/z	Relative Intensity
57.03214	0.9
59.01376	1.6
67.13149	1.0
73.02914	2.4
79.67764	1.0
106.18647	0.9
113.66639	0.9
118.06653	7.2
118.07351	1.2
130.48277	1.1
147.04509	1.7
164.07127	2.1
201.10243	1.4
245.10513	2.4
361.22382	4.1
403.23285	1.9
447.21649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19732	7.0
59.01386	78.6
75.17618	7.7
76.15256	8.4
92.20034	11.3
96.95918	9.1
108.91603	7.8
115.35629	10.2
150.03210	100.0
165.05574	89.7
193.33803	8.2
195.06609	35.3
331.29379	10.1
398.33435	9.8
399.14206	10.5
438.90259	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	447.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17081	0.8
57.03443	1.1
59.01376	100.0
63.26060	1.1
71.01374	7.2
73.02920	8.0
75.00835	2.0
78.87290	0.9
82.50142	1.0
83.01399	1.5
85.02928	1.1
89.02430	2.2
99.00838	4.3
101.02441	8.8
101.80196	1.2
113.02395	2.6
119.03542	1.2
161.04591	2.4
347.24567	1.4
387.24106	2.1
403.23154	4.7
447.22351	1.9
447.26587	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	447.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15328	0.6
54.34622	0.6
61.98830	100.0
73.29752	0.6
79.41914	0.7
82.58953	0.6
87.30997	0.6
87.63856	0.7
98.60098	0.7
107.18576	0.7
122.29065	0.8
123.14790	0.7
130.03020	0.7
152.99567	1.4
200.88934	0.7
234.02861	0.7
322.19131	0.8
324.11041	0.7
373.17697	1.1
384.19254	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60637	1.6
57.56596	1.5
59.01378	24.9
78.43553	1.8
78.65485	1.6
92.19344	3.3
103.20549	1.6
108.02142	2.1
118.06600	4.2
134.03667	2.0
136.01649	2.9
137.02319	1.8
147.04530	3.4
149.06055	2.0
151.00333	1.9
151.03987	3.2
153.77161	1.7
160.05231	1.9
163.04001	2.1
165.01912	28.6
166.02725	17.5
171.66884	1.7
174.02930	1.9
176.04768	18.8
179.03500	26.0
180.04282	65.8
181.05119	13.0
191.07111	16.0
194.05814	18.4
195.06621	100.0
221.08240	4.1
258.15863	1.7
278.11981	1.9
293.08221	4.2
308.10599	2.7
314.11670	2.2
320.33969	1.8
327.08826	2.1
329.13968	2.1
357.13452	40.4
369.13364	2.1
387.14688	3.7
417.15424	12.3
447.16641	6.0
447.21658	77.6
457.30557	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1662
Annotation	Disyfolide
Peak:m/z	Relative Intensity
59.01379	100.0
70.41471	1.4
71.01378	2.2
72.30459	1.5
83.91754	1.6
87.00832	1.8
99.22372	1.9
101.02438	2.1
137.99092	1.5
237.06938	1.7
240.57942	1.7
346.38184	1.7
447.16479	10.1
474.04849	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	64.5
66.80634	1.8
71.01374	20.8
73.02519	3.2
73.02937	100.0
81.07076	9.4
83.01379	12.7
85.02956	3.1
89.02449	4.9
96.96017	3.7
97.06569	2.8
101.02423	41.2
113.02434	9.8
121.89378	2.4
125.06062	25.7
131.03642	2.4
137.09737	10.2
155.99280	2.6
161.04608	5.0
167.49097	2.3
174.19960	2.6
238.06377	2.3
403.16190	53.8
447.18555	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	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.6
68.86195	1.9
71.01369	12.9
85.02946	2.9
89.02409	7.9
93.03438	2.8
96.95975	10.8
101.02422	10.4
102.71809	1.9
105.90474	2.2
113.02433	2.9
121.02923	29.9
123.04504	100.0
132.18378	2.2
138.48917	1.9
161.04446	2.2
165.76465	2.2
179.01743	2.7
201.16017	1.9
224.37207	1.9
241.09746	2.7
251.71614	2.1
278.22339	2.1
285.57040	2.0
341.06848	2.4
447.14911	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45848	0.3
53.87787	0.3
58.69130	0.3
59.44950	0.3
61.90212	0.3
62.40673	0.3
62.41048	0.3
68.45911	0.3
70.86307	0.3
78.95898	11.3
96.96962	0.5
140.48041	0.3
149.00066	8.5
158.92500	0.6
179.01176	2.3
328.51031	0.4
334.38644	0.5
347.08142	0.6
417.12216	0.8
425.24988	0.4
431.10349	0.5
447.13455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52855	1.2
52.67507	0.9
53.21304	1.1
78.95898	6.5
79.61566	1.4
110.98519	1.7
115.34036	1.3
118.91846	1.1
139.03986	7.3
145.02962	9.3
151.03964	2.2
152.99570	9.7
191.07152	2.5
198.36165	1.2
199.99089	1.3
216.07814	1.4
225.09213	5.4
225.73712	1.5
241.08649	5.3
242.09529	4.8
243.03032	5.0
257.11789	1.6
258.05280	11.2
268.07349	6.7
269.08212	74.8
271.06042	7.3
279.23288	100.0
283.09836	9.5
286.08478	25.4
295.06058	2.1
301.10818	78.0
315.72699	1.6
447.14645	41.3
447.25308	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	447.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07315	0.9
59.01384	2.2
65.39979	1.1
65.89185	1.2
68.99797	2.2
73.02925	8.3
92.19411	1.6
123.00907	1.3
138.03238	10.2
149.02412	6.5
152.01160	2.5
153.05551	14.1
163.03944	1.4
164.04782	20.6
169.05063	1.5
176.01196	2.1
177.05447	1.2
179.07146	9.6
189.12891	1.4
191.03522	5.4
192.04283	1.8
193.01387	17.7
193.05017	2.0
207.06593	10.2
208.03764	93.6
223.06104	100.0
256.35403	1.3
289.32159	1.2
325.82568	1.2
373.13159	2.0
403.13995	8.2
403.23495	1.7
440.81952	1.3
447.13013	17.7
447.29822	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	447.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.5
71.01373	5.0
71.67196	1.0
73.55915	1.1
85.02916	1.6
85.27599	0.9
89.02427	6.3
93.03442	57.3
101.02435	1.9
113.02415	1.4
119.03423	1.6
120.99615	4.3
137.02448	8.6
141.09038	1.1
156.31401	1.1
175.46919	1.0
179.05515	1.4
195.08148	1.7
205.06563	1.2
221.06061	1.9
222.06711	1.3
223.07645	48.1
223.09827	1.9
246.87370	1.2
255.06541	1.6
262.76718	1.4
265.04999	1.8
267.06613	100.0
272.44550	1.2
323.44464	1.2
361.22296	9.0
362.22620	1.2
403.23224	10.7
432.19171	6.6
447.21884	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	446.2451
Annotation	Marcfortine C
Peak:m/z	Relative Intensity
67.00962	0.9
91.05522	10.6
96.04524	4.8
98.98847	0.8
99.85531	0.9
104.42183	1.0
107.35509	0.8
108.04552	2.3
118.06619	46.4
125.33473	1.0
130.06671	1.5
134.67180	1.0
143.69881	1.1
147.04530	9.5
156.08191	4.0
158.09764	10.4
164.07162	5.0
167.08665	1.2
178.12880	0.9
182.15967	0.8
200.10826	2.0
210.12802	1.4
212.14514	3.9
244.09717	1.8
245.10526	1.3
255.18687	2.1
402.25479	4.5
418.21774	1.0
446.24506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03365	0.3
57.02927	0.3
58.60842	0.3
59.01381	0.9
69.26868	0.3
79.95733	0.9
84.44080	0.4
96.95992	100.0
110.54869	0.4
257.09375	0.6
290.13623	0.4
296.62097	0.4
307.41739	0.6
349.10471	0.7
448.61069	0.4
472.03885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1296
Annotation	Licoagroside D
Peak:m/z	Relative Intensity
59.01377	29.7
71.01372	4.9
73.02911	1.2
83.05031	1.1
85.02951	2.3
87.00876	1.3
89.02428	4.0
93.03428	17.6
94.46361	1.1
96.98329	1.2
101.02428	6.1
113.02467	2.0
119.03490	1.0
128.03540	1.0
137.02452	2.3
139.64072	1.1
201.29214	1.0
211.05820	0.9
211.07632	28.6
223.07617	18.6
254.05801	5.7
255.06619	100.0
267.06607	75.0
267.09525	1.7
285.07550	6.6
387.20163	1.6
408.45898	1.1
447.13223	7.9
447.22729	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	446.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34855	0.6
54.83322	0.6
59.01365	1.3
61.90764	0.6
70.77647	0.7
73.92009	0.7
91.05511	11.2
96.04549	3.7
97.36758	0.7
99.65029	0.6
108.04578	1.7
118.06606	42.6
130.06602	1.2
147.04501	11.0
151.48802	0.7
156.08147	3.7
158.09766	8.0
164.07132	3.6
195.08131	0.8
200.10789	4.0
210.34450	0.8
212.14421	1.8
244.09744	3.0
255.18710	0.8
255.94891	0.8
298.19128	1.1
328.25778	0.8
402.25461	5.2
402.35886	0.7
418.21417	2.9
446.24503	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	446.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46468	2.1
55.03125	2.1
59.01382	2.6
64.22099	2.1
70.61061	2.3
71.92408	2.0
83.02496	3.3
109.04057	4.1
116.30996	2.6
126.06725	35.6
128.03516	21.5
146.04620	2.6
147.05621	5.3
148.04126	18.2
165.17157	2.7
177.10234	3.8
186.62291	2.5
189.10365	10.7
233.09320	16.8
270.27469	2.7
275.11475	43.9
300.11096	2.7
317.13733	3.2
360.16772	14.4
375.94974	3.1
404.15726	39.1
444.11298	2.7
446.17941	100.0
473.14410	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	446.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61280	0.9
91.05515	13.5
96.04539	2.1
103.57433	1.0
108.04533	1.5
118.05793	1.7
118.06616	43.5
121.57001	1.2
132.92294	1.1
147.04489	7.0
156.08122	2.3
158.09714	10.0
160.74239	1.1
200.10727	1.9
210.12820	1.5
212.14459	1.1
244.09682	2.3
255.18680	1.3
337.16113	1.1
402.25452	5.0
418.21292	1.6
446.24515	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	445.3322
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
50.92447	2.4
53.48442	2.3
65.41515	2.9
65.86620	2.5
74.00639	2.8
79.78887	2.5
102.75587	3.3
107.04254	2.9
113.12052	3.0
125.81013	2.8
132.49675	2.6
145.57602	3.2
245.29492	3.1
298.86676	2.8
301.21896	5.6
381.31607	12.9
385.31107	38.2
394.71622	3.3
399.32684	5.2
401.34036	4.7
433.40533	2.8
445.33209	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	446.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
72.00905	9.5
74.02455	11.3
75.00867	1.6
87.76826	0.7
89.02472	0.8
92.00362	0.7
97.82594	0.6
103.00381	3.6
104.03527	100.0
124.70702	0.7
134.61395	0.9
335.12909	0.8
341.10815	1.9
411.74203	0.8
446.15329	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3326
Annotation	24-epi-Secasterone
Peak:m/z	Relative Intensity
71.15131	2.4
71.53009	2.4
71.80989	2.7
86.16779	2.7
93.67088	2.8
102.22427	2.8
137.31923	2.8
371.63290	2.7
390.49100	3.4
445.33334	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	445.3324
Annotation	24-epi-Secasterone
Peak:m/z	Relative Intensity
59.01375	0.8
76.09756	0.8
84.99020	0.7
92.19346	1.6
104.98679	0.7
140.39699	0.7
383.29312	1.8
399.32819	7.1
401.34317	14.9
445.33240	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	445.3323
Annotation	Stylisterol B
Peak:m/z	Relative Intensity
57.97705	0.9
59.43770	0.9
60.46868	0.9
78.95876	1.2
86.55345	1.1
134.84245	1.1
152.99504	1.3
257.68652	1.2
330.14566	1.1
349.66882	1.1
383.33466	12.4
399.32687	16.2
401.34195	16.5
445.33267	100.0
448.82889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
66.17828	2.1
78.52723	1.7
91.03998	3.2
92.11732	1.8
96.17893	1.8
111.11537	1.6
111.69528	1.5
122.52208	2.0
131.30280	1.8
137.73784	1.8
166.87447	1.6
271.21716	1.7
293.21225	2.5
311.22281	17.5
445.15866	3.4
445.33221	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	445.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05863	1.9
59.01380	100.0
63.87473	1.9
67.62896	2.0
68.78681	2.0
72.18214	2.5
78.13603	2.2
94.09187	2.1
99.24654	2.1
106.03500	2.2
168.38896	2.2
193.14626	2.6
293.21210	22.5
311.22275	35.4
443.15497	2.8
445.27344	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	445.2361
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
50.31760	4.6
52.58389	5.2
52.74666	4.4
58.79354	5.1
69.98694	4.5
74.56447	4.7
78.68387	4.8
78.95897	7.3
89.98527	5.6
152.99554	21.5
170.22246	6.3
175.01271	5.3
204.44429	6.1
277.21674	100.0
372.68994	5.4
445.23480	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04480	0.8
59.01376	100.0
65.93413	0.8
71.01372	11.1
73.02937	5.5
74.18299	0.9
74.89716	0.9
83.01352	2.3
85.02940	11.0
89.02423	4.0
96.65761	1.1
99.00850	1.2
99.59349	1.2
101.02422	14.2
113.02426	9.4
114.93952	1.0
119.03445	1.5
136.72978	1.1
161.04594	1.1
215.07150	1.4
216.07933	1.0
217.19594	0.9
241.18102	1.8
306.37756	1.1
343.17468	1.2
385.22263	29.6
401.21872	2.4
403.23468	9.6
411.03738	1.0
412.88724	1.1
445.14749	5.7
445.24490	5.3
458.93304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74501	0.8
59.01379	100.0
63.10524	0.8
71.01358	1.7
72.45977	0.7
72.46518	0.9
73.02930	1.7
83.01383	1.0
85.02922	2.1
89.02421	2.0
91.19209	0.9
101.02437	4.0
111.00836	1.0
113.02390	1.5
117.52774	1.0
127.05107	4.5
159.06645	1.3
164.08861	1.0
187.84491	0.8
231.11438	1.0
249.12384	6.2
297.20691	3.5
326.98462	1.0
341.19757	1.9
345.15482	1.2
357.18158	3.9
401.21704	4.9
445.19580	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	445.2083
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
55.91105	0.6
57.03450	1.3
59.01373	17.9
65.81709	0.6
71.01374	38.7
71.75652	0.7
73.02938	17.3
83.01390	4.8
83.73922	0.8
84.49821	0.8
85.02949	13.9
86.01023	0.7
87.00838	0.8
89.02430	18.3
94.15190	0.8
94.84501	0.8
95.01362	1.9
99.00857	8.9
101.02428	38.3
111.99103	0.8
113.02438	22.6
115.03985	1.0
116.24419	0.8
119.03454	3.5
125.02428	2.6
127.70988	0.8
131.03481	1.1
132.05830	1.8
140.92876	0.9
143.03462	1.1
149.04523	1.5
158.82767	0.7
159.02969	4.7
161.04535	16.2
174.47752	0.7
223.12097	0.8
239.10736	1.0
266.10577	0.8
276.62238	1.0
278.00012	0.8
313.16644	10.1
356.88562	1.0
360.56195	0.9
445.20807	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15678	1.9
59.01373	29.9
61.75826	1.7
62.24247	1.7
65.54247	1.9
67.67534	1.7
69.03426	2.9
69.90348	1.8
71.01374	3.0
73.02940	4.1
77.76434	2.2
83.05026	8.9
85.02922	2.0
85.06576	4.6
92.51632	2.0
95.04997	3.7
99.89020	1.9
100.93325	2.4
101.02424	2.9
101.06055	4.9
109.06586	2.8
111.08147	17.3
123.08185	2.2
128.41663	1.9
138.03110	1.9
144.35852	2.2
149.09697	7.9
154.30504	2.3
156.20282	2.0
159.26723	2.3
167.10637	2.1
173.08159	30.3
203.09338	2.8
287.14957	2.5
341.19696	10.1
345.12543	2.0
359.20755	38.9
380.33511	2.4
401.21811	100.0
445.20236	3.6
461.96017	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	12.1
59.01374	34.4
71.01367	12.6
73.02940	3.2
85.02937	100.0
87.00861	48.7
89.02416	5.2
99.00857	2.9
101.02443	9.3
111.00121	2.0
111.00864	51.6
113.02412	10.4
129.01909	12.1
137.28064	1.5
148.33434	1.2
153.12756	2.2
155.10756	2.9
161.04567	3.0
187.03922	1.5
187.07683	8.8
197.06160	1.6
197.11813	2.3
212.04681	2.0
213.05592	1.4
213.09261	2.3
215.07147	14.4
216.07822	1.6
223.07646	2.1
239.10814	1.5
241.08679	11.9
241.12305	2.2
255.10310	1.6
285.15042	1.7
313.14417	2.1
315.18301	13.3
315.21368	1.9
323.12527	1.5
339.16034	1.6
359.20627	1.8
377.90976	1.4
401.15540	1.5
401.21725	2.4
427.13989	1.6
445.15219	40.8
445.20807	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	445.2083
Annotation	Dendroside G
Peak:m/z	Relative Intensity
51.57738	1.2
55.01854	1.4
57.16748	1.3
57.52798	1.4
59.01378	100.0
63.56770	1.4
69.03454	1.8
71.01380	24.5
73.02934	51.8
83.01373	11.6
83.25375	1.6
85.02937	9.8
87.00863	1.9
89.02426	14.3
93.00503	1.5
98.02454	7.5
101.02423	37.5
108.02130	2.0
113.02415	18.3
119.03484	6.0
129.37392	1.6
131.03568	2.3
139.07549	2.2
143.03476	1.7
149.04559	2.9
154.35486	1.6
161.04527	9.9
167.03525	3.6
171.74094	1.4
179.10710	1.5
187.11264	1.7
205.12308	14.0
221.06586	2.1
223.13243	1.7
241.14417	8.2
367.17407	2.7
385.18826	3.3
403.19940	3.0
427.19714	10.3
445.20953	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	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68702	2.3
51.74201	2.4
54.20743	2.2
59.01380	100.0
60.14265	2.7
62.37728	2.1
70.99602	11.1
71.01390	22.3
73.02932	6.6
75.09101	2.1
75.74646	2.4
76.47657	2.4
80.06866	2.5
84.36070	2.6
85.02950	11.8
88.76752	2.4
89.02424	23.6
100.55072	3.0
101.02449	21.1
113.02415	17.5
119.03439	3.0
123.04509	44.7
128.03485	3.0
139.07642	2.9
147.04517	2.9
151.07640	3.5
152.08412	11.8
153.09177	45.0
158.42361	3.0
161.04538	13.6
161.06050	26.5
173.76996	2.9
195.04839	41.1
205.12321	13.8
223.13419	15.7
233.81294	2.8
248.62524	3.0
250.06546	2.6
385.18692	56.4
385.84796	2.8
445.11792	35.5
445.21170	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.01369	15.4
72.17065	1.7
73.02940	16.7
77.77200	2.1
80.38557	1.7
80.39117	1.7
83.01357	3.8
85.02955	6.8
89.02426	10.7
95.01361	1.8
95.04961	1.8
101.02428	17.0
109.60667	2.0
113.02428	9.6
145.30151	1.9
172.02817	1.8
175.11270	8.3
179.07097	2.7
205.12289	3.0
211.25323	1.8
223.13405	2.7
263.35306	1.9
304.72345	1.8
445.12631	3.2
445.20676	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	445.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74501	0.8
59.01379	100.0
63.10524	0.8
71.01358	1.7
72.45977	0.7
72.46518	0.9
73.02930	1.7
83.01383	1.0
85.02922	2.1
89.02421	2.0
91.19209	0.9
101.02437	4.0
111.00836	1.0
113.02390	1.5
117.52774	1.0
127.05107	4.5
159.06645	1.3
164.08861	1.0
187.84491	0.8
231.11438	1.0
249.12384	6.2
297.20691	3.5
326.98462	1.0
341.19757	1.9
345.15482	1.2
357.18158	3.9
401.21704	4.9
445.19580	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	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98426	1.5
55.04396	1.6
55.19500	1.7
57.26570	1.6
59.01082	3.7
59.01379	100.0
59.95517	1.5
62.64862	1.7
71.01363	18.6
83.05019	4.4
85.02962	2.8
87.00875	2.3
89.02444	16.7
98.49813	1.8
101.02428	12.0
106.28847	1.7
111.08144	3.5
113.02426	10.3
119.03490	4.5
173.08145	11.7
177.10788	1.7
179.05586	8.1
195.04913	2.2
200.98718	2.3
255.22974	1.9
341.10306	2.1
359.20810	16.7
385.18799	4.2
401.21783	36.0
445.20816	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	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.35392	1.9
67.77465	1.7
71.01387	8.5
81.50774	1.8
83.67546	1.8
85.02933	4.3
87.00850	4.2
101.02440	8.9
102.43529	1.9
111.00834	2.5
113.02448	4.6
117.34524	2.0
119.48856	1.7
141.09189	2.2
163.19542	2.0
171.75627	2.0
187.07629	13.0
213.09160	2.3
215.07076	14.7
216.07898	10.2
241.08757	12.5
255.10077	2.5
267.10138	2.2
313.14444	10.1
359.20746	8.4
385.22250	4.7
401.21811	15.5
424.66684	2.4
445.15002	48.4
445.20538	4.6
466.26346	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	445.2083
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.16536	1.4
59.01085	3.4
59.01378	100.0
66.16283	1.5
71.01366	10.3
71.44703	1.5
73.02937	8.2
73.51157	1.5
75.07310	1.7
77.35252	1.5
80.05447	1.6
83.05011	2.6
85.02937	2.0
85.49075	1.5
87.00845	1.8
88.83302	1.9
89.02428	10.2
96.95956	2.0
101.02428	9.4
111.08144	3.2
113.02473	3.0
119.03486	4.0
127.05138	2.4
132.76779	1.8
137.09651	2.8
161.04498	3.1
173.08182	3.3
179.05579	3.4
187.11232	3.9
205.12227	3.2
223.13390	2.3
259.61990	1.8
359.20837	12.0
384.19611	3.3
385.18527	10.3
401.21909	21.7
445.20508	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
63.67916	0.8
78.95891	1.3
92.19867	1.5
103.93739	1.0
149.00096	7.3
205.16000	1.2
207.22081	0.9
237.35466	1.0
355.16821	44.8
385.17896	27.7
445.20071	7.8
468.88745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.1
59.01379	10.0
69.70871	0.6
71.01378	3.8
75.00858	7.1
85.02934	11.5
89.02430	10.3
94.12663	0.6
97.87665	0.7
101.02438	11.8
102.27450	0.9
103.00357	14.6
103.04002	100.0
104.24074	0.8
113.02408	3.0
119.03461	4.4
121.27734	0.7
150.29466	0.7
179.05731	1.5
217.93176	0.6
272.66742	0.8
332.58295	0.7
341.10931	21.3
425.85239	1.0
445.15533	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	445.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57417	1.3
56.76398	1.2
59.01092	2.1
59.01378	59.6
60.00003	1.4
66.42008	1.5
71.01374	17.0
71.05003	2.4
73.02934	32.2
83.01391	6.9
83.68652	1.7
85.02951	7.8
85.80563	1.5
87.00834	2.2
89.02426	13.6
96.64519	1.6
96.96000	7.7
101.02433	27.4
113.02442	6.7
135.11827	2.8
153.09235	4.1
161.04530	3.2
178.44456	1.7
179.10753	23.3
197.08069	2.0
197.11798	13.1
244.04938	1.8
261.79224	1.7
285.16095	6.3
319.21268	3.7
341.16049	3.2
359.17120	3.1
379.51663	1.9
401.18106	100.0
430.08575	1.9
445.20621	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	445.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.2
59.01372	15.1
68.96571	0.7
70.38630	0.7
71.01367	13.0
72.68844	0.7
85.02929	12.9
88.39217	0.9
89.02426	20.7
91.29491	1.2
101.02419	13.1
103.00378	1.2
103.04001	100.0
113.02419	7.8
115.00326	4.5
119.03478	9.7
161.04562	1.2
179.05582	4.0
282.28137	0.9
341.10880	42.0
348.37003	0.8
356.35303	0.9
398.74179	0.9
428.88370	1.0
445.15381	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	445.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.4
59.01379	15.1
60.62194	0.9
61.64344	0.9
61.82606	1.1
68.31821	1.1
71.01370	8.7
72.54453	1.0
75.00865	2.1
85.02939	13.7
89.02440	21.8
101.02432	15.6
103.00353	7.2
103.04000	100.0
113.02431	7.8
119.03485	8.2
131.03470	1.3
169.21460	1.0
179.05598	2.2
179.35757	1.0
255.03917	1.2
341.10873	41.7
357.40735	1.2
398.95847	1.0
445.15363	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	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
71.01395	0.9
77.48909	0.7
78.32445	0.7
83.61666	0.6
96.95982	1.0
108.02169	17.5
114.02779	0.8
121.02935	3.1
123.03658	1.1
123.04508	20.2
125.98315	0.6
127.05156	0.7
130.33344	0.7
152.01144	54.0
167.03488	100.0
192.07239	0.6
201.65581	0.7
296.58157	0.7
310.84714	0.7
385.11301	3.5
420.52661	0.9
424.16162	0.7
441.51114	0.8
445.13565	23.9
445.19727	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	445.1503
Annotation	Lopholide
Peak:m/z	Relative Intensity
50.27588	0.8
51.32720	0.6
51.35011	0.6
52.07985	0.6
53.36501	0.7
55.68154	0.7
57.03443	1.9
59.01379	100.0
61.50945	0.9
69.01996	0.7
69.71413	0.7
71.01366	3.6
76.17343	0.9
85.02930	16.7
87.00864	4.9
93.41354	0.8
95.01357	0.8
101.02422	2.0
111.00848	8.2
113.02416	1.0
129.01950	1.0
141.73535	0.9
180.05751	3.1
187.07675	6.0
193.84320	1.0
209.18274	0.9
213.09215	1.2
215.07182	6.1
216.07948	1.0
238.30682	0.9
241.08743	5.9
280.96756	0.9
315.18225	1.4
315.21561	0.9
325.10782	1.5
327.60513	0.9
339.15875	1.0
343.11865	1.8
354.31589	0.9
385.13022	5.1
407.38705	0.8
445.15210	12.9
445.20682	1.7
456.79785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22371	1.1
53.40165	1.1
59.01371	5.6
118.81518	1.4
134.03712	8.2
149.02425	7.3
152.01143	6.4
164.04794	13.5
169.95573	1.5
193.01392	5.9
208.03770	86.5
223.06131	100.0
244.95668	1.3
293.17389	1.6
299.83752	1.8
445.20953	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	445.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90577	1.6
59.01376	71.3
61.69814	1.8
70.99591	34.3
71.01376	39.3
73.02923	14.2
74.76381	1.7
77.84894	1.8
83.01377	3.8
85.02931	16.9
87.00869	4.1
89.02425	33.7
99.00902	2.9
101.02431	33.3
108.02152	9.6
113.02429	21.4
119.03474	8.8
120.99632	9.7
123.04504	100.0
128.03575	2.3
131.03474	4.8
146.03731	13.8
153.09209	10.9
161.04594	15.8
161.06059	82.5
179.05647	14.9
180.02478	2.7
189.64496	2.3
194.03925	3.7
195.04848	95.8
221.06685	14.6
263.07681	3.6
283.06519	11.1
357.10086	11.4
385.18631	14.9
445.11749	69.8
445.17078	10.7
445.21613	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	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96523	1.1
53.35703	1.1
54.52716	1.1
56.88412	1.2
59.01382	31.5
75.00861	26.1
84.36635	1.4
89.02450	2.0
100.25269	1.8
103.00363	100.0
134.16895	1.7
137.02354	2.2
161.96452	1.6
184.00607	1.4
204.17348	1.4
341.10852	8.0
445.11725	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	445.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	11.9
59.01383	9.5
67.77994	0.9
71.01381	12.9
73.02930	5.4
83.01388	1.0
85.02947	4.8
87.00864	13.3
89.02426	4.8
91.13103	0.9
101.02430	10.2
102.98587	100.0
105.78993	0.9
113.02449	6.8
119.03476	1.3
161.04527	6.4
162.51805	0.9
180.02457	6.1
195.04892	7.3
222.43646	0.9
231.74750	0.9
236.96223	1.0
249.06123	3.7
272.69180	0.9
283.04941	72.6
306.72491	0.9
359.20969	1.1
401.21832	1.2
409.93066	1.1
445.21133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33062	1.4
56.46664	1.5
57.62985	1.6
59.01373	35.5
59.39585	1.8
64.09221	2.0
65.42195	1.7
71.01369	19.1
79.14727	2.1
81.83744	1.8
89.02430	55.8
101.02447	20.7
102.05592	46.6
113.02413	14.7
119.03474	22.4
143.03494	3.1
161.04549	2.6
179.05571	4.3
341.10864	100.0
444.17172	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	445.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74163	1.3
59.01379	53.2
72.53217	1.4
76.19017	1.3
94.61939	1.7
101.26197	1.7
103.00359	100.0
103.01045	3.6
135.04500	10.2
152.01192	2.3
161.02448	38.2
167.03510	2.8
175.57303	1.6
179.03485	18.1
179.05513	2.4
181.75259	1.5
341.08713	38.7
445.13013	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	444.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13373	1.1
56.90501	1.2
59.51389	1.2
66.63308	1.1
70.84938	1.3
71.01376	14.3
72.56461	1.3
87.00819	1.3
88.04020	6.2
93.82282	1.3
96.55843	1.3
96.95984	6.6
108.02129	7.3
111.00861	2.3
114.01960	40.1
115.00349	26.3
122.70798	1.3
123.04507	27.6
132.02991	10.1
149.02386	2.5
150.05545	2.0
151.02713	17.1
152.01169	2.4
166.05089	50.3
167.03473	25.7
175.55220	1.4
176.07182	1.7
178.05211	1.4
179.05817	7.3
191.02115	1.8
194.08163	1.6
220.06230	10.2
238.07164	12.3
259.92499	1.4
300.81668	1.3
329.08768	5.2
337.00974	1.4
350.41968	1.7
444.11441	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	443.3167
Annotation	Phorbasterone B
Peak:m/z	Relative Intensity
50.50822	0.8
53.71656	0.9
59.01352	1.1
60.44958	1.0
61.10162	1.2
85.81371	1.1
90.12418	1.1
90.45788	1.0
91.20115	1.1
123.08184	1.4
333.75885	1.1
369.31604	2.5
381.28024	2.9
381.31662	13.2
397.31189	16.0
399.32632	16.7
428.65088	1.3
443.31686	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30320	0.7
52.89211	0.7
55.43793	0.7
59.01378	100.0
59.95919	0.8
62.65440	0.7
66.96302	0.7
78.10668	0.8
82.49274	0.7
84.56673	0.7
91.49093	0.8
98.03252	0.7
103.19521	0.9
105.76123	0.8
291.19699	5.6
309.20819	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13560	4.7
53.24135	4.4
59.01379	100.0
67.65894	3.9
71.83725	4.6
73.79692	3.7
77.77935	4.1
79.09450	3.9
79.30241	3.9
97.89400	4.7
102.00882	4.8
105.00610	4.1
116.64687	5.1
117.78153	4.6
127.97203	4.2
291.20065	5.7
294.26883	6.7
443.11322	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
109.24426	0.8
126.01170	0.9
145.25002	0.7
161.74649	0.7
167.16325	0.7
173.52316	0.7
178.47186	0.7
209.11815	1.1
291.19739	3.1
309.20721	6.4
451.48248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11130	1.2
51.62451	1.2
53.50661	1.1
56.71748	1.2
59.01378	100.0
122.11113	1.6
155.50369	1.4
162.75162	1.6
169.49902	1.3
290.85062	1.4
291.19635	3.0
309.20847	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
71.01369	6.5
73.02958	1.8
74.53425	1.2
75.00857	1.4
82.93259	1.2
85.02930	2.0
89.02458	2.8
101.02424	2.8
113.02431	2.6
134.06775	1.3
170.47615	1.2
176.33899	1.1
189.52835	1.1
215.07100	2.1
260.16068	1.1
363.38980	1.1
383.24161	1.7
401.25314	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24077	1.2
52.17127	1.4
59.01378	100.0
65.69135	1.6
71.01385	10.2
73.02940	5.9
80.88367	1.8
89.02419	3.6
92.19912	1.9
97.47640	1.4
101.02416	10.0
106.10999	1.5
107.22434	1.3
113.02428	7.0
120.05566	1.4
142.97681	1.5
188.32370	1.8
197.23442	1.6
214.06335	2.3
295.12802	1.7
382.81281	1.6
401.25629	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	443.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61993	1.1
59.01381	35.4
71.01370	14.7
72.99317	1.1
73.02940	15.4
83.01376	2.2
85.02934	1.7
87.00871	2.2
89.02444	10.5
101.02433	13.3
113.02431	6.5
119.03487	2.2
121.13319	1.3
127.36491	1.1
149.74582	1.3
199.38289	1.2
221.15456	38.8
239.16548	12.4
258.43808	1.2
383.20798	6.4
401.21869	13.9
421.21570	2.8
431.36581	1.5
443.22925	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	443.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49600	0.4
56.36114	0.6
60.63036	0.5
85.36846	0.6
118.33914	0.7
126.42822	0.6
152.37453	0.6
159.08511	1.0
247.80472	0.6
359.15381	100.0
387.08725	0.6
427.21616	44.1
443.24759	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	443.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84698	0.4
58.92955	0.4
68.75935	0.5
78.98254	0.4
83.41345	0.5
95.80619	0.4
159.08443	2.7
163.35672	0.5
191.96335	0.5
359.15356	100.0
427.21582	53.3
443.24774	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	443.2288
Annotation	Radiosumin B
Peak:m/z	Relative Intensity
52.57290	2.0
59.01379	40.6
59.10291	2.0
71.01363	18.7
73.02937	8.9
74.99548	2.1
83.01377	2.7
85.02941	9.6
87.00848	2.2
89.02442	2.4
101.02422	23.9
101.38168	2.4
113.02415	11.5
161.04532	2.8
239.16560	3.5
383.20840	3.8
401.21643	19.5
428.32196	2.6
443.22928	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	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.17019	1.0
56.48187	1.2
57.03439	1.6
59.01086	1.9
59.01376	42.8
63.58064	1.1
71.01376	18.6
73.02930	16.5
80.85825	1.2
83.01366	2.5
85.02932	9.2
89.02428	7.3
92.11164	1.1
101.02427	22.0
111.10878	1.3
113.02438	13.8
119.03432	1.5
123.08144	1.3
131.71378	1.3
151.88280	1.3
161.04427	2.2
162.17647	1.4
170.81004	1.3
176.51506	1.2
177.12837	5.5
195.13870	5.5
357.18890	1.5
358.07196	1.4
443.19226	100.0
463.73517	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	443.2286
Annotation	Radiosumin B
Peak:m/z	Relative Intensity
59.01085	1.7
59.01379	49.1
69.03459	1.4
71.01374	19.0
73.02936	37.6
80.50909	1.0
83.01385	9.1
85.02930	5.8
89.02426	9.2
95.01356	1.0
101.02422	25.8
105.01842	0.9
113.02412	8.4
119.03465	4.1
119.04993	1.2
167.10741	1.4
185.56863	0.9
221.15460	10.4
239.16512	2.0
239.43048	1.0
272.41995	0.9
319.36636	1.0
383.20847	1.8
392.57742	0.9
401.21686	9.8
443.22888	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	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93272	1.4
53.99577	1.4
57.03437	11.3
59.01376	72.5
71.01385	13.2
73.02930	21.6
74.47658	1.3
83.01368	2.9
83.04974	1.5
85.02941	7.2
87.42667	1.9
89.02430	9.5
101.02414	17.2
107.24231	2.1
111.97773	1.5
113.02451	3.9
119.03566	1.8
123.08138	8.0
135.04497	1.9
135.08102	1.8
151.07623	33.9
161.09663	7.9
163.07600	21.4
165.09172	12.3
173.09692	2.9
174.73337	1.6
177.09154	6.6
179.10732	17.8
188.08449	6.9
203.10764	74.8
210.49753	2.0
221.11800	100.0
236.14806	1.8
244.59648	1.7
266.02988	2.0
271.50620	1.8
358.93304	1.6
425.18127	2.9
443.19138	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	443.1924
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
57.03447	1.4
59.01381	41.4
71.01373	25.4
73.02943	5.3
75.24422	1.2
83.01369	3.0
85.02937	10.2
88.04013	2.5
89.02431	22.0
101.02436	24.5
113.02432	10.4
119.03481	5.4
150.70808	1.2
164.07146	2.7
165.05545	1.7
165.07472	2.5
189.12875	1.8
193.05019	1.6
219.13828	1.3
242.35271	1.4
360.86716	1.4
443.13831	5.3
443.19235	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	443.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56348	3.0
51.93295	2.5
59.01380	38.3
65.03944	3.5
73.02940	12.9
81.84812	3.3
83.05012	4.9
87.04517	4.6
90.07437	3.2
101.06066	7.7
101.37700	3.1
111.08134	16.7
120.43269	3.6
127.07639	8.0
139.07605	7.0
141.09180	4.9
149.06013	3.4
164.88565	3.6
165.09177	4.3
177.12917	4.2
181.17020	3.2
187.11284	4.3
201.07668	4.8
203.09099	4.5
205.12271	4.8
215.09325	6.3
221.11888	4.5
239.78427	3.5
241.10762	6.6
249.11319	20.3
267.12384	7.9
339.18042	16.9
357.19125	40.2
399.20282	100.0
461.97977	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	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84400	1.3
54.02620	1.5
54.62049	1.4
57.03450	2.9
59.01375	100.0
63.51084	1.4
70.73815	1.5
71.01366	25.5
73.02934	47.4
81.32727	1.7
83.01372	11.2
85.02927	7.8
87.00836	2.4
89.02436	16.7
96.95940	1.9
101.02429	37.4
110.42196	1.6
113.02409	12.2
119.03482	2.5
121.06539	3.8
124.05296	3.9
126.41547	1.5
137.06012	2.3
139.07623	89.4
143.03528	2.5
148.72075	1.5
150.06868	2.8
151.07578	6.6
151.58043	1.7
161.04544	7.8
161.05981	2.1
168.07913	39.0
173.09709	2.3
179.10841	2.5
191.10759	49.5
203.10741	3.7
209.11778	12.8
221.11780	19.3
239.12875	27.7
353.16043	2.7
371.17120	1.8
383.17120	22.7
399.12814	2.4
401.18234	6.6
413.18399	2.9
427.61731	2.1
443.13385	2.6
443.19238	26.7
443.24661	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	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
52.89536	2.1
59.01376	100.0
59.91372	2.0
71.01373	33.1
73.02935	53.0
78.18251	2.3
78.95893	5.5
83.01382	13.5
85.02931	10.7
87.00871	10.5
89.02436	13.1
95.01383	2.7
96.96007	40.3
96.96935	33.4
101.01865	3.5
101.02438	38.1
113.02422	10.2
113.06071	2.4
123.08139	2.4
125.02511	2.7
151.07602	2.9
159.86122	2.4
161.04512	3.4
165.09171	13.8
177.09154	3.7
177.12764	2.3
203.10780	64.1
206.09390	2.3
220.11023	22.7
221.11813	21.5
249.11296	8.4
258.66205	2.4
275.12872	20.1
293.13947	5.6
346.23422	2.3
380.72748	3.1
425.18146	11.9
443.19144	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	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96251	1.3
53.87539	1.3
55.74016	1.3
56.06086	1.2
59.01374	67.9
59.30797	1.4
69.99035	1.2
71.01376	11.7
73.02943	15.6
74.57915	1.3
78.06537	1.6
85.02945	6.2
87.00873	1.8
87.04480	1.6
89.02425	1.5
91.58655	1.4
97.02914	2.6
101.02438	13.0
108.05829	1.6
113.02412	3.0
125.06077	2.7
138.06871	15.3
151.07646	14.1
152.08401	8.9
153.09190	100.0
163.03934	1.8
165.09169	14.8
167.03461	2.6
179.10783	3.1
203.05655	2.5
203.10826	3.3
206.09485	3.4
221.11848	34.6
225.62825	1.7
239.12880	25.2
443.19595	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	443.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37769	0.9
51.96131	0.8
55.41240	0.9
56.00078	0.9
57.03445	2.0
59.01377	22.3
68.48278	0.8
71.01374	5.6
73.02931	3.7
77.15160	1.0
82.90160	0.9
85.02910	1.0
87.00859	18.2
89.02422	13.1
91.87801	0.9
94.09625	0.8
96.96933	1.4
99.04507	1.7
101.02424	100.0
113.02416	6.2
119.03459	2.0
123.04547	1.1
125.02393	7.1
128.92776	1.0
143.03508	2.0
187.02457	5.2
248.87935	1.1
274.91806	1.4
314.59094	1.0
320.18903	1.1
323.09857	17.6
341.10886	11.4
383.11963	16.0
408.66119	1.1
423.13406	1.1
443.13876	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	443.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93668	0.9
53.06321	0.9
56.51942	0.9
59.01373	2.0
69.86617	1.0
105.01888	1.9
134.03740	20.6
137.02405	1.5
141.53621	1.1
149.06049	23.2
175.03929	1.8
178.02701	35.0
193.05043	100.0
202.17754	1.3
235.55132	1.2
265.60458	1.2
281.08173	2.3
323.23233	1.1
355.10257	12.1
443.11975	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	443.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02932	0.6
57.03450	4.9
59.01371	7.4
66.99094	0.6
68.63335	0.7
71.01376	6.1
88.75626	0.8
89.02425	12.2
89.12020	0.7
101.02429	100.0
113.02415	3.3
119.03479	4.7
139.18538	0.7
179.05598	2.7
341.10806	23.2
443.14014	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	443.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95353	1.2
56.97554	1.5
59.01378	66.6
59.89664	1.1
64.68358	1.1
65.47019	1.1
71.01374	23.4
85.02930	2.4
87.00839	1.7
89.02427	36.2
94.67659	1.4
96.96008	6.0
101.02425	14.1
103.53445	1.3
113.02461	13.6
113.09725	1.2
119.03497	13.1
119.04988	12.6
134.03734	27.0
137.02374	1.6
149.06056	28.1
171.07782	1.6
178.02690	32.4
179.05595	2.4
193.05049	100.0
219.06682	19.1
249.06125	9.2
263.05548	6.6
443.11783	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	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	62.1
59.23745	1.5
71.01364	26.8
85.02943	6.7
86.31769	2.0
87.00868	6.3
89.02428	35.5
92.19344	3.0
96.95965	1.9
101.02436	12.7
108.14284	1.6
111.55560	1.4
113.02416	12.6
119.03484	8.3
119.04999	10.6
134.03740	33.2
137.02429	2.6
149.06076	28.5
163.28638	1.6
178.01192	2.2
178.02699	28.2
179.05591	3.0
192.99612	2.2
193.05054	100.0
219.06609	18.5
249.06136	12.1
263.05511	8.4
296.58667	1.7
343.22540	2.0
443.12015	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	443.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.9
61.98830	0.4
71.01373	0.8
78.95890	3.0
79.95714	1.4
86.51553	0.3
86.52162	0.3
87.00860	0.5
87.52457	0.3
87.80827	0.4
89.31970	0.3
95.01366	1.6
96.95993	100.0
96.96896	9.0
98.95544	0.4
101.02445	0.7
102.34393	0.3
123.04509	0.5
146.08238	2.2
151.03983	2.8
174.03299	0.4
189.26634	0.3
245.98801	0.3
337.83636	0.4
380.15671	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	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88128	0.5
56.19610	0.6
58.61860	0.6
59.01363	1.1
59.48158	0.6
60.43840	0.6
70.60250	0.8
70.64545	0.7
70.81027	0.7
74.04150	0.6
78.23537	0.7
78.71791	0.7
87.00843	4.1
92.76277	0.7
105.01915	5.9
121.62234	0.6
134.03714	15.2
135.04332	0.7
137.02448	0.7
143.04640	1.1
149.06059	17.4
155.67657	0.7
158.17809	0.7
175.03947	3.0
178.02687	19.9
193.05051	100.0
201.99541	0.8
281.06686	4.6
355.10315	8.3
443.11926	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84365	0.7
53.27286	0.7
56.17842	0.7
57.62495	0.8
66.09832	0.8
71.01369	9.5
76.64925	0.8
88.04032	51.4
92.60888	0.8
96.96017	1.7
102.05640	1.2
108.17703	1.0
113.86125	1.0
115.00354	17.0
119.04980	1.7
121.06566	8.0
132.03023	10.6
147.04504	20.9
164.07169	100.0
165.05562	29.8
166.98721	0.8
219.74014	0.8
260.12668	1.0
280.11768	3.7
293.81268	1.0
327.10959	3.9
352.58755	0.9
388.41351	0.9
394.66278	0.9
408.53864	0.9
424.12439	1.1
442.13501	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
71.01108	0.6
71.01378	9.5
78.95877	0.7
88.04027	52.9
96.95969	1.7
102.05586	1.1
115.00352	11.7
119.05012	1.1
121.06590	11.8
132.03015	11.0
147.04526	20.1
152.99545	0.8
164.07161	100.0
165.04237	1.1
165.05554	28.3
167.20044	0.9
171.00705	0.9
236.09244	4.0
280.11948	1.1
287.10980	1.0
289.30344	1.0
326.12469	1.1
327.10846	4.3
442.13513	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
68.58714	1.4
70.08589	1.1
92.19384	2.0
105.94090	1.3
107.27401	1.2
125.93189	1.2
128.03510	1.2
189.75380	1.2
254.05843	14.7
269.08221	25.8
296.05606	20.7
310.07233	23.9
312.08878	1.7
313.07153	28.0
324.08887	5.4
352.11990	3.1
398.12430	16.1
424.10397	5.0
442.11465	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	441.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15176	0.6
59.01378	100.0
66.24482	0.6
71.01375	7.3
73.02934	5.6
79.61127	0.7
81.32117	0.6
83.01396	1.2
84.25055	0.8
85.02930	4.3
87.00861	1.0
89.02415	3.4
99.00892	0.7
101.02419	8.5
103.43553	0.6
113.02435	4.3
139.11269	1.1
151.85503	0.8
161.04527	1.5
193.06558	0.7
283.06378	1.0
297.93427	0.6
321.52362	0.7
369.18494	1.0
381.13577	3.4
395.37305	0.8
399.23911	4.6
415.37448	0.9
441.25171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
52.20794	0.6
53.74979	0.7
59.01377	100.0
61.40079	0.8
71.01371	6.6
73.02932	4.9
75.68830	0.7
80.01923	0.7
85.02921	3.0
88.83583	0.6
89.02405	1.8
99.00964	0.8
99.81849	0.7
101.02429	8.9
113.02424	3.6
124.54417	0.8
125.11703	0.8
139.11232	0.7
194.34248	0.9
381.22906	1.0
399.23953	5.1
441.21054	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2496
Annotation	Dendronpholide M
Peak:m/z	Relative Intensity
59.01377	100.0
71.01369	5.4
73.02940	1.9
75.20667	0.8
81.26199	0.9
85.02941	4.1
89.02425	3.3
101.02432	7.0
101.02995	0.9
113.02422	4.3
130.88498	0.9
147.72171	0.9
381.22681	3.4
399.23825	5.1
441.25146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11664	0.6
53.93090	0.7
55.82071	0.6
56.93618	0.7
59.01377	100.0
61.95512	0.7
71.01366	6.6
73.02923	5.3
80.19392	0.9
83.01401	0.9
85.02927	1.9
89.02406	1.9
97.47365	0.7
100.05495	0.8
101.02448	6.0
113.02420	5.2
162.27251	0.7
190.73470	0.8
208.01747	0.7
279.08365	0.8
381.22958	1.0
390.02863	0.7
399.23990	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	441.2493
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
53.05970	0.6
59.01376	100.0
67.55969	0.6
71.01373	3.5
73.02935	1.1
73.85770	0.6
77.01920	0.6
85.02941	1.7
94.33167	0.9
101.02423	2.8
113.02406	1.0
140.75771	0.7
155.52449	0.8
390.13257	0.7
399.23770	2.6
441.25134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
102.99819	5.2
103.46050	5.4
292.40076	6.1
316.03976	5.5
386.82648	5.7
412.05115	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	441.2495
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
52.24654	0.8
59.01377	100.0
59.40710	0.9
68.09528	0.8
68.29765	0.8
71.01367	1.9
73.02920	1.2
85.02948	2.1
85.17528	0.9
87.32880	1.1
89.02408	1.5
91.76133	0.8
92.19930	1.2
101.02415	1.8
106.64884	0.9
113.02415	1.8
122.45461	0.9
159.11349	1.1
399.23926	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	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48775	1.1
53.93483	1.1
56.60500	1.1
59.01379	100.0
64.79322	1.2
66.80074	1.2
71.01382	11.0
73.02932	20.2
83.01389	2.7
89.02423	6.3
98.58275	1.3
101.02431	17.5
102.67535	1.3
113.02415	8.7
119.03474	1.7
161.04530	1.6
173.74182	1.4
178.32108	1.4
278.97247	1.5
303.90652	1.5
320.07950	1.3
405.21411	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	441.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	6.4
59.01365	7.1
71.01360	1.1
78.75191	1.3
84.00891	3.1
87.00861	1.7
87.05618	33.5
88.42522	1.3
94.49490	1.2
96.95994	1.3
111.05572	1.7
114.05585	77.2
125.10820	1.3
129.06686	100.0
152.07118	6.1
153.06665	9.3
166.08716	2.8
167.41707	1.4
169.09857	9.8
171.07693	18.7
196.14531	1.5
232.06198	1.4
238.15594	2.9
240.17128	14.2
282.14511	1.8
311.20908	48.9
323.11606	1.3
353.21924	5.9
397.20917	62.2
441.23538	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2496
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.93513	0.9
53.01809	1.0
53.33754	0.8
56.60257	0.8
59.01378	100.0
59.24228	0.9
61.65148	0.9
71.01378	6.8
73.02966	1.1
85.02934	1.3
86.93220	0.9
89.02449	1.8
92.19415	1.4
99.00881	1.0
101.02428	5.0
101.21702	1.0
101.32979	1.0
104.70634	1.0
113.02409	5.1
143.61084	0.9
147.18983	1.0
216.64803	1.1
230.15039	0.9
339.83704	1.0
399.23932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.213
Annotation	Jatamanvaltrate G
Peak:m/z	Relative Intensity
55.01878	1.2
59.01377	100.0
71.01360	16.6
73.02934	30.5
78.92468	1.1
83.01373	8.2
85.02940	6.4
89.02411	4.5
99.20118	1.2
101.02426	20.9
111.56401	1.2
113.02428	9.1
122.96996	1.1
159.77458	1.2
164.08394	1.9
175.14900	1.8
180.07863	2.6
219.13930	8.4
229.62102	1.2
236.14169	20.3
237.15012	5.4
441.21310	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89321	2.8
59.01377	90.8
71.01376	4.7
73.02944	4.1
84.81867	2.3
88.13895	2.5
99.52026	2.4
103.59220	2.2
129.63750	2.9
135.04489	9.0
160.08830	2.7
176.04767	5.1
177.12810	5.0
189.12878	17.5
191.07161	4.4
201.12845	10.4
219.13870	100.0
221.40746	3.0
272.71030	2.8
277.76135	2.8
441.12973	3.3
441.20636	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	441.1766
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
54.59641	1.3
56.62833	1.4
59.01081	3.5
59.01373	79.1
71.01369	31.1
71.21718	1.8
85.02923	8.0
87.00861	2.2
89.02431	43.4
92.19930	2.6
95.01371	1.7
97.06616	2.2
101.02430	21.8
105.08471	1.7
107.58100	1.6
109.02934	3.8
113.02428	18.1
114.26650	1.8
119.03471	15.2
121.02907	3.2
133.06564	9.1
139.07617	11.6
141.15321	1.9
141.21011	1.4
147.04495	2.1
157.34906	2.0
169.54585	1.9
180.25191	2.3
201.09128	2.7
219.10237	20.1
222.64676	2.0
274.05154	1.8
330.13171	12.5
331.13879	11.7
351.10938	3.4
441.12491	3.5
441.18060	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	441.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08871	1.7
59.01375	8.4
67.55939	1.6
70.02955	3.2
71.05013	3.8
74.24243	1.4
77.56445	1.5
87.05630	2.9
93.07750	1.9
93.31821	1.8
104.83196	1.5
119.05001	53.1
130.03276	10.6
146.08215	100.0
147.05916	2.3
163.04016	3.5
165.82103	1.7
180.30142	1.6
217.11879	23.8
277.09262	3.2
277.12256	82.7
377.33218	1.9
466.58331	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79549	1.1
54.56433	1.3
57.03456	9.4
58.20547	1.2
59.01375	34.8
71.01374	27.6
73.02926	6.3
76.10815	1.4
83.01366	2.2
85.02943	5.1
85.41952	1.2
87.00832	3.3
89.02426	38.8
93.55686	1.3
96.95979	16.4
98.95573	9.6
99.00842	1.4
99.04494	11.7
101.01795	2.1
101.02431	38.2
111.83541	1.3
113.02430	22.6
117.05574	1.9
119.03483	13.6
125.02391	1.7
128.13527	1.4
131.03510	11.4
135.06613	2.0
143.03433	2.0
161.04536	23.9
169.39041	1.3
179.05643	7.3
219.91663	1.4
221.06657	12.9
234.67020	1.6
263.07806	1.6
279.10684	9.7
297.11865	12.4
339.13126	2.0
441.16113	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	441.1303
Annotation	12-Dehydrotetracycline
Peak:m/z	Relative Intensity
54.34510	3.3
59.01387	3.8
63.22837	3.8
75.69504	3.7
96.42789	4.0
132.18642	3.6
166.32254	4.1
181.79350	4.0
210.74101	4.5
228.63181	4.0
254.05759	20.3
269.08105	5.8
310.07022	5.9
312.08719	7.1
324.05069	4.7
379.12961	16.8
423.11911	17.4
441.12943	100.0
450.09259	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	441.1615
Annotation	Cortisol 21-sulfate
Peak:m/z	Relative Intensity
57.03443	16.8
57.65800	1.8
59.01381	36.8
66.33143	1.8
71.01375	22.0
73.02934	5.2
85.02958	3.1
85.87513	2.1
87.00855	3.6
87.51669	2.3
89.02439	24.7
96.96008	16.3
98.95602	5.2
99.04517	26.7
101.02448	34.3
106.83517	2.2
110.06017	2.4
113.02444	19.1
119.03499	15.9
125.02443	10.2
126.53596	2.0
131.03510	7.8
134.08272	2.3
135.06621	3.9
149.99512	2.6
161.04555	18.6
161.45174	2.2
161.46936	2.4
179.05603	4.9
221.06645	5.1
260.82956	2.3
279.10785	9.0
279.14243	2.1
297.11902	20.9
339.13080	3.1
345.83075	2.4
441.09833	3.4
441.16083	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	441.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	3.8
71.01375	4.5
73.02934	75.4
74.77670	3.3
87.01163	3.4
96.96003	5.1
100.38402	3.7
101.02409	27.1
108.86962	3.1
112.98792	37.0
115.39850	3.4
115.92084	3.2
121.02970	3.9
137.01447	5.7
137.02429	100.0
145.01414	61.5
149.02438	56.3
149.29657	3.0
176.24097	3.5
191.03458	28.0
223.06097	27.1
263.02209	4.5
272.86578	4.4
283.04590	4.3
295.04547	6.3
456.47165	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	441.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63386	0.9
60.98437	0.9
61.15077	0.7
66.37241	0.8
75.49640	1.0
77.82005	1.0
81.03435	0.9
83.04596	0.8
95.70181	0.9
96.95921	0.9
96.96940	1.4
98.56877	1.1
99.04501	26.6
108.19090	0.9
115.03988	4.9
123.04509	1.7
125.02426	100.0
143.03490	14.3
165.05545	4.7
187.02470	94.2
227.64832	1.0
466.06409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.7
61.98828	100.0
70.45967	0.7
71.01362	0.7
73.26863	0.8
74.86214	0.7
91.48299	0.9
93.84043	0.9
101.02460	3.2
103.58213	0.9
131.56618	0.8
291.17972	2.9
308.15643	0.8
333.19153	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	440.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62488	0.9
51.64389	0.9
52.07087	0.8
53.58688	0.8
56.05883	1.0
59.01385	0.9
59.24566	1.0
79.91279	1.1
89.24316	1.0
100.07677	11.7
101.06080	7.4
112.07640	2.2
129.10315	1.6
130.08730	57.6
149.30360	1.0
195.15047	8.6
199.18109	5.5
218.09111	1.1
243.14874	2.0
243.17130	30.6
249.11887	1.3
265.74091	1.1
312.30139	1.1
356.25494	9.0
435.82669	1.3
440.31308	100.0
449.46246	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	440.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11274	1.6
70.95307	1.6
71.01379	6.5
85.88173	1.8
93.03482	1.5
103.89898	1.7
117.03479	3.5
119.05009	38.7
123.04482	23.6
126.05594	21.1
138.41473	1.9
145.02939	100.0
145.04092	3.2
149.02417	6.5
161.93594	1.5
166.95410	1.5
175.03973	1.9
188.10800	2.2
206.11850	33.8
229.08522	2.3
232.09750	6.9
250.10852	7.7
269.08197	30.9
291.13956	2.5
293.11771	2.4
309.11322	3.5
317.11655	3.4
335.12891	22.8
352.15521	25.1
396.14514	97.5
440.13544	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	439.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05657	0.9
59.01376	100.0
69.64959	1.0
74.01931	1.2
82.65860	0.9
95.09539	1.1
152.47404	1.3
177.89539	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	440.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36722	1.9
55.80146	1.5
59.01378	3.5
60.51101	1.7
71.01378	2.1
71.51634	1.8
74.95251	1.9
85.02933	35.5
92.19980	3.6
96.95995	18.4
99.54017	2.1
111.00866	39.8
113.02434	1.8
129.01924	24.0
130.29448	1.9
142.48872	2.1
144.04567	4.5
146.06104	3.8
162.05550	9.4
166.06671	2.3
172.04013	4.1
172.07680	3.5
174.05608	2.8
181.05231	4.3
184.07687	3.4
186.09247	7.8
190.05072	2.8
196.07703	16.7
203.23930	2.2
214.08702	8.0
276.08746	4.0
310.09048	2.7
329.34378	2.1
440.11954	100.0
453.92224	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	439.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88493	1.2
54.92879	1.1
59.01380	100.0
60.94050	1.1
80.01015	1.5
87.43754	1.2
88.25996	1.3
145.75813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42145	0.8
58.51601	1.1
59.01377	100.0
67.31348	0.9
71.01382	8.7
73.02931	2.2
85.02945	5.2
89.02428	4.5
101.02431	7.1
105.56286	1.1
113.02429	5.4
123.40649	1.0
127.76913	0.9
128.89439	0.9
187.36697	0.9
189.12331	0.9
191.14319	1.2
235.17310	1.2
379.21164	4.4
397.22229	6.9
439.23608	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	439.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13958	2.2
50.36662	2.1
50.50718	1.9
57.07218	2.0
59.01367	11.4
66.56767	2.2
69.69164	2.4
70.16103	2.1
71.48315	2.4
83.02473	2.6
84.04524	2.9
90.50543	2.2
95.84424	3.0
101.82790	3.4
111.56217	2.2
119.13007	2.6
128.03537	4.2
163.07658	6.1
171.14914	3.0
197.12941	46.0
215.14005	100.0
224.83522	2.7
309.64960	2.6
381.51401	2.5
439.24484	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27922	2.4
57.03454	3.2
59.01379	45.6
71.01371	60.1
73.02948	35.0
79.54691	2.9
83.01375	15.0
85.02926	35.8
87.00872	3.3
89.02435	18.0
95.01370	3.7
96.96017	21.7
99.00873	7.3
101.02439	75.2
102.80706	3.0
113.02438	38.6
159.03012	5.8
161.04512	18.8
165.05426	3.8
166.02640	5.0
175.80060	2.7
181.05122	6.5
183.94676	2.8
195.06709	3.2
286.12875	3.0
307.17651	100.0
307.20963	6.0
439.16229	9.6
439.21875	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84324	0.9
59.01380	100.0
66.33440	0.9
70.06094	1.0
71.01374	5.0
73.02927	2.4
83.01382	1.0
85.02954	1.7
87.00870	5.4
89.02432	1.5
94.93616	1.1
101.02416	4.6
113.02434	4.1
130.99872	2.2
161.04518	1.3
168.65190	1.3
202.66740	1.2
397.22296	2.2
421.11395	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	439.1975
Annotation	Garajonone
Peak:m/z	Relative Intensity
54.17844	2.5
54.91726	3.7
55.15339	2.6
57.03439	15.9
57.15704	2.8
59.01379	88.1
61.08152	2.8
62.50498	2.6
65.22916	2.5
71.01379	23.3
72.49310	2.8
73.02938	63.8
83.01372	12.4
83.02671	3.2
85.02937	3.6
89.02419	7.2
96.95988	3.4
101.02436	34.1
106.06723	2.8
113.02448	5.8
133.10210	6.3
137.09718	5.7
173.13313	18.4
191.14406	51.7
217.12283	6.6
235.13405	68.9
374.70447	3.3
439.19644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17833	1.4
57.03440	2.6
59.01376	34.2
64.90660	1.4
71.01369	9.7
71.68562	1.5
73.02936	13.3
79.00805	1.6
83.05013	77.8
85.02951	3.7
87.00893	1.6
89.02412	2.1
94.90395	1.7
101.02438	12.3
107.05011	2.1
109.06580	9.2
113.02390	2.7
121.01562	1.7
123.08194	15.8
135.04504	2.1
135.08203	2.1
136.05315	2.4
149.09688	3.2
150.06819	6.6
151.07640	10.1
164.21295	1.9
165.09213	23.4
175.11244	7.7
176.08496	1.8
177.09203	36.5
189.12929	3.8
202.09969	8.7
205.12318	16.3
207.13737	2.1
217.12337	25.1
220.11046	10.6
230.82982	1.8
234.12532	9.6
235.13397	100.0
375.64227	2.0
379.17804	2.9
439.19965	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	439.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54558	3.1
51.30064	3.2
51.46859	3.4
59.01377	80.5
63.40159	3.0
71.01372	17.4
73.02936	35.5
78.49617	3.7
80.29193	3.5
83.01373	5.4
83.05011	55.8
85.02917	5.0
87.00849	4.2
101.02428	25.2
109.18695	3.8
113.02402	8.0
123.08126	17.8
129.22203	4.1
150.06815	4.1
163.04005	5.0
165.09138	18.2
173.05984	4.4
174.77875	5.0
177.09160	30.7
200.72847	4.6
202.10025	7.8
205.12317	15.7
217.12234	21.3
220.11040	14.6
234.12766	4.0
235.13377	100.0
336.05887	4.5
336.68021	3.9
360.37375	3.9
379.17694	4.7
439.20099	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	439.1873
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
52.97320	2.1
54.03128	2.2
55.94328	2.9
57.66271	2.1
59.01382	6.4
64.28336	2.5
66.80676	2.5
68.79813	2.3
68.95100	2.4
78.87039	2.5
87.45728	2.6
100.23875	2.8
132.23497	2.8
133.02960	13.7
134.03764	4.2
135.04510	12.9
148.05287	11.2
161.02399	17.4
161.06044	3.3
176.04793	52.6
179.94974	3.0
191.07121	37.0
204.06718	6.1
205.11008	3.3
247.10869	100.0
248.11676	89.1
249.12489	34.7
403.90695	3.3
439.18686	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
57.04923	1.5
59.01380	51.9
68.16987	1.7
71.01373	53.6
73.02946	22.2
83.01357	12.1
83.52245	1.6
85.02937	33.0
87.00866	4.0
89.02413	11.4
94.87602	2.1
95.01383	2.4
95.72204	1.7
96.95996	44.0
97.02885	2.3
99.00846	8.4
101.02430	57.4
113.02444	27.2
119.03472	2.3
125.02431	1.9
129.17004	2.0
161.04556	21.7
161.07127	3.4
163.75043	1.9
235.11787	13.1
247.28613	2.1
277.12073	3.3
279.43896	2.0
310.20789	1.7
397.17148	37.2
397.21918	3.4
439.12299	4.6
439.18073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.2
59.01375	95.9
71.01369	67.6
72.99294	3.3
73.02936	29.7
75.00856	38.1
79.83771	2.8
81.63863	2.8
83.01381	14.8
85.02928	41.4
89.02439	22.0
95.01346	3.7
96.95988	53.3
98.45123	2.8
99.00864	11.6
101.02438	70.5
108.78619	3.2
113.02431	45.6
118.80802	3.2
119.03493	3.9
125.02425	5.3
143.03462	3.2
145.02119	2.8
150.71559	2.9
159.02957	4.1
161.04547	25.7
235.11800	23.5
359.20599	3.5
397.17090	57.1
408.53906	2.6
439.17282	100.0
439.22922	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	439.1723
Annotation	Sertindole
Peak:m/z	Relative Intensity
57.80037	0.8
61.03135	0.7
65.12585	0.7
65.65015	0.7
70.50350	0.7
71.01363	1.0
72.99307	9.3
73.02907	0.8
85.02934	1.0
96.95994	68.4
96.96971	1.8
111.00843	3.3
113.02420	1.1
135.04514	100.0
159.04521	1.1
161.02417	1.6
203.03484	4.4
249.12453	27.5
261.12479	5.5
319.13120	2.7
327.13477	1.0
333.14532	4.7
345.14520	6.0
365.16751	1.0
407.14572	7.1
439.07648	5.7
439.17154	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	439.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	71.4
59.60934	3.3
59.90616	3.8
61.14720	3.6
69.86229	3.8
71.01379	62.7
73.02924	37.5
83.01357	6.3
83.14368	3.6
84.25478	4.2
84.56227	3.6
85.02943	25.4
86.70583	3.7
89.02426	9.0
96.95978	36.6
101.02436	61.4
113.02441	36.7
119.03506	5.3
119.36569	4.5
136.82005	4.7
143.46646	4.7
159.02965	5.0
161.04521	19.0
185.83766	3.8
235.11836	19.9
311.85922	4.7
397.17166	33.5
439.12057	6.9
439.17764	100.0
446.63947	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1626
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
51.83165	1.8
57.54690	1.6
59.01372	11.1
66.67979	1.8
71.01352	2.5
73.02941	3.7
79.95728	2.6
80.96527	1.7
85.02943	2.7
87.00867	8.2
89.02431	1.8
89.82057	1.7
92.19328	2.3
96.95994	74.6
96.96939	2.5
99.00906	2.5
101.02421	3.8
113.02404	2.7
116.09863	1.8
125.02484	2.0
125.06091	2.6
126.23140	1.7
158.03711	18.9
161.04578	9.2
172.05309	26.1
173.06044	3.8
173.08157	12.5
174.03156	26.0
176.04700	3.1
177.12308	1.8
179.05624	11.3
180.06644	2.2
183.60515	2.0
186.06909	4.1
215.10797	88.6
217.08769	2.6
231.10222	23.5
233.11812	34.0
259.09760	100.0
268.80151	1.9
336.23526	2.1
359.20877	23.8
393.15857	8.4
410.88065	1.9
421.15076	16.7
439.16287	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1611
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
54.75991	1.8
57.96277	1.4
59.01364	3.0
71.01348	2.4
71.90057	2.2
74.80517	1.9
78.92539	1.7
85.02908	2.0
87.00843	2.3
92.19928	2.4
95.03299	1.7
99.00835	1.8
123.04462	2.8
161.04529	3.1
164.03560	6.6
174.03224	9.5
178.04984	2.4
179.05641	2.9
188.47963	1.9
202.02701	7.2
205.12256	9.1
231.10255	28.2
231.13889	2.0
233.11766	12.1
259.09747	100.0
267.63522	1.6
269.77484	1.9
277.10837	12.2
306.15836	13.2
320.54764	1.7
321.18246	4.1
435.72473	2.0
439.15958	85.4
439.21152	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	439.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08837	2.7
50.42293	2.5
53.72840	2.6
57.59592	3.3
59.01361	7.5
60.59677	2.8
66.35918	3.2
69.03448	6.0
69.89725	3.8
72.99297	39.8
79.54060	3.2
86.38975	3.3
96.95988	15.8
96.96974	4.1
97.02927	14.0
101.02452	4.9
108.40156	3.4
113.02425	40.1
125.02426	100.0
128.03409	3.1
130.67856	3.2
137.06273	3.5
141.01953	5.9
160.28166	3.5
162.29547	3.3
177.09158	4.3
219.09981	3.6
231.13815	3.9
247.10002	3.7
249.11314	4.5
259.13272	12.6
303.53101	4.1
321.13757	4.6
365.12509	4.3
369.84204	3.2
383.13535	99.3
411.12851	5.7
439.12338	17.2
446.23462	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	439.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01069	0.4
54.87526	0.4
64.05613	0.4
78.95896	31.8
95.95396	0.4
96.95989	31.6
96.96939	100.0
110.50449	0.4
294.99936	0.4
350.30872	0.5
439.08600	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	439.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03391	0.4
61.09632	0.4
65.88540	0.5
70.31218	0.5
75.39186	0.4
78.95899	26.5
79.95729	0.5
96.95997	100.0
96.96948	90.6
100.67444	0.5
108.50241	0.4
121.90673	0.5
161.02440	0.6
182.84219	0.5
192.63440	0.6
228.09618	0.5
321.28955	0.5
388.33917	0.5
439.08600	9.3
464.76013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	6.1
96.95996	100.0
96.96925	18.6
97.00251	0.5
226.22716	0.5
251.87599	0.4
314.50757	0.5
439.08765	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74930	0.3
78.26403	0.3
78.95478	0.6
78.95897	9.9
79.95718	1.5
96.95985	100.0
96.96939	33.9
98.61516	0.3
132.15155	0.3
170.00664	0.4
228.65431	0.4
250.59328	0.4
341.10767	0.8
439.08514	4.8
447.23718	0.4
459.19427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92297	0.4
78.95896	16.7
79.28654	0.5
79.49969	0.4
79.95728	1.0
83.56230	0.5
92.78523	0.5
93.36905	0.5
96.95993	100.0
96.96944	53.3
106.76928	0.5
121.35963	0.5
155.17406	0.6
161.02457	7.0
170.00534	0.5
179.03423	0.5
179.05540	0.7
208.15410	0.5
236.16170	0.5
277.38934	0.5
341.08731	2.1
439.08524	5.6
447.89142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	1.6
79.95732	0.9
91.25828	0.4
96.95998	100.0
96.96886	5.2
113.82869	0.4
129.36044	0.4
135.04523	2.1
156.04245	0.4
161.02441	7.8
179.03471	4.5
179.05682	0.4
248.41263	0.5
261.10211	0.4
290.25311	0.5
329.00034	0.5
331.59485	0.4
341.08807	7.5
392.78180	0.4
406.24399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52673	0.2
58.23484	0.3
59.01372	1.5
71.01374	1.6
72.72809	0.3
73.02932	0.4
78.95918	0.4
79.95720	0.6
85.02949	0.7
89.02453	0.6
96.69344	0.3
96.95998	100.0
101.02431	2.4
113.02465	1.2
119.03457	0.5
131.03481	0.3
135.04472	0.3
161.02487	2.4
161.04538	0.5
184.51123	0.3
221.06641	0.5
223.56470	0.3
233.64339	0.3
341.08920	0.7
344.14124	0.3
439.14380	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	439.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89368	0.5
50.99877	0.5
53.15945	0.4
55.08706	0.4
59.14394	0.5
64.40383	0.6
71.01380	0.6
77.70051	0.6
78.95897	1.2
79.95721	0.9
87.00858	0.6
96.95996	100.0
96.96890	6.1
125.97487	0.6
133.02931	0.7
135.04501	7.1
158.05513	0.6
161.02428	35.9
179.03506	16.5
179.05537	2.3
189.50600	0.6
191.65753	0.6
220.17964	0.5
341.08774	30.2
381.24747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79062	0.4
60.70574	0.4
67.78471	0.4
67.94333	0.5
72.82169	0.4
79.89902	0.4
79.95746	0.8
82.36938	0.5
86.07716	0.5
96.95996	100.0
104.42616	0.4
135.04541	2.2
148.35631	0.6
161.02431	13.1
174.46843	0.5
179.03482	6.6
179.05704	0.5
198.58968	0.4
201.29401	0.6
341.08786	12.2
365.16153	0.6
368.65829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20201	1.5
54.09823	1.5
59.01371	19.7
60.01705	2.4
61.00096	1.4
61.01797	3.9
61.98827	100.0
65.08017	1.4
106.78492	1.5
109.30273	1.7
127.69854	1.8
322.14166	1.9
417.02814	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	438.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15224	1.3
55.23376	1.3
55.27550	1.3
60.25701	1.3
78.95891	8.0
105.70200	1.8
107.09276	1.5
140.01192	3.3
149.48499	1.7
191.31500	1.6
196.03775	6.5
241.21709	100.0
438.26288	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04801	0.6
57.78141	0.7
59.01379	19.4
61.98827	100.0
64.80364	0.7
66.19645	0.7
71.01364	1.4
81.76225	0.8
89.02443	2.0
101.02420	4.5
101.66975	0.8
113.02470	1.2
119.03476	0.9
119.13184	0.9
149.04416	1.1
172.04344	0.8
175.35555	1.0
331.17230	1.0
367.77951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18666	1.0
59.01379	23.7
61.33260	1.0
61.98827	100.0
63.47162	1.0
72.24143	1.0
97.31857	1.0
107.66671	1.2
117.24653	1.2
119.04951	1.2
201.44724	1.5
205.40334	1.5
289.16684	1.9
331.17477	2.4
351.68103	1.4
446.74445	1.2
452.42853	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	437.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43047	1.1
55.27541	0.9
55.76467	1.0
59.01379	100.0
59.61721	0.9
64.91639	1.2
71.66226	1.0
106.81681	1.3
106.92487	1.0
155.35696	1.1
172.46030	1.2
194.96964	1.3
337.36670	1.1
382.58524	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	437.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01636	2.0
57.03441	3.4
58.87552	2.0
60.16134	2.0
78.92168	2.1
80.12019	2.4
82.39401	2.1
83.01373	33.3
83.85229	2.0
97.23046	2.0
101.02438	2.1
110.06644	2.2
116.92812	20.3
138.44618	2.1
148.62654	2.5
157.05032	25.1
175.06192	3.6
279.20419	4.5
279.23288	100.0
389.80515	3.0
416.80322	2.4
437.29044	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88050	0.7
53.21531	0.8
58.02970	0.8
59.01374	31.6
59.13559	0.8
61.52201	0.8
61.98827	100.0
69.16110	0.8
71.01348	1.4
73.02945	1.5
73.69286	0.9
75.97419	0.8
76.81107	1.0
77.76452	1.0
85.02925	1.1
87.00872	1.7
101.02409	4.0
113.02436	1.2
126.25845	0.9
127.21894	0.9
134.03746	1.5
137.09671	1.2
234.15813	1.0
331.17368	1.5
339.67633	1.0
438.15100	1.2
459.03394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19115	1.2
56.78633	1.2
59.01376	100.0
83.30520	1.2
106.75032	1.3
131.23604	1.6
133.79062	1.5
137.00661	1.4
192.84398	1.4
400.47995	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	437.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80544	1.2
59.01086	3.4
59.01377	100.0
103.02696	1.5
106.59984	1.6
116.92834	8.9
225.32175	1.9
246.98154	1.9
321.20593	1.6
331.88055	1.6
371.07318	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	437.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.01370	5.1
73.02941	1.3
83.01369	1.1
85.02925	2.9
89.02422	1.3
101.02413	6.8
113.02422	3.6
134.07384	0.6
161.04536	2.5
233.15614	0.7
246.97084	0.7
317.19482	2.0
335.20764	9.9
347.81448	0.6
377.21774	14.4
391.28424	0.7
437.16913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
73.25278	0.7
99.29378	0.7
104.56158	0.7
234.73051	0.8
340.89154	1.0
363.12509	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	437.2909
Annotation	Malonganenone D
Peak:m/z	Relative Intensity
51.06415	1.5
55.01884	2.4
57.03428	3.7
65.02118	1.8
68.43387	1.5
70.73023	1.6
78.96350	1.6
83.01374	43.5
85.16418	1.6
157.04933	5.3
175.06079	2.1
251.57983	1.8
279.23285	100.0
311.89481	1.7
374.57150	1.9
404.14041	1.8
432.44849	1.6
437.29053	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.01370	5.1
73.02941	1.3
83.01369	1.1
85.02925	2.9
89.02422	1.3
101.02413	6.8
113.02422	3.6
134.07384	0.6
161.04536	2.5
233.15614	0.7
246.97084	0.7
317.19482	2.0
335.20764	9.9
347.81448	0.6
377.21774	14.4
391.28424	0.7
437.16913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.7
59.01376	100.0
61.98824	0.7
67.66246	0.7
72.60385	0.7
95.08552	0.6
99.51555	0.6
101.02417	0.7
106.68809	0.7
113.94016	0.7
125.67565	0.8
219.99982	0.7
237.64143	0.7
319.79526	0.9
335.20758	1.1
348.54153	0.8
377.21866	4.0
401.68478	0.9
437.23709	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
66.35913	0.7
72.96011	0.7
80.77715	0.7
89.61039	0.8
91.17156	0.7
92.19423	1.8
93.24200	0.8
93.51314	0.9
100.60902	1.1
101.28382	0.8
111.00414	1.0
149.98264	0.8
211.58215	0.9
241.06796	1.1
306.04477	0.9
377.21805	6.4
396.91144	0.9
437.23477	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	437.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.79310	0.8
71.01360	3.1
73.02938	1.3
77.73758	0.7
94.42747	0.8
96.01567	0.7
96.37763	0.7
101.02371	2.6
103.77422	0.8
109.04063	1.0
115.32230	0.8
162.20268	0.8
175.03906	1.1
192.14038	0.8
196.12389	0.8
213.12476	1.1
220.75160	0.8
233.08163	1.2
300.86563	0.8
335.20828	1.8
377.21783	5.8
437.14203	1.4
437.19070	1.0
437.23233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81894	1.4
59.01378	100.0
62.43148	1.3
71.01353	10.2
73.02935	11.1
83.01375	3.2
85.02902	2.2
87.00864	14.0
95.46753	1.4
101.02438	11.9
113.02486	2.3
130.99857	11.4
132.00591	2.1
137.09720	18.2
163.11273	12.6
169.40947	1.6
189.12878	9.0
215.14162	2.7
230.09354	1.7
233.15417	9.9
254.04372	9.4
351.21838	2.5
437.14209	5.3
437.22723	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	437.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59834	0.7
57.00933	0.9
59.01377	18.7
68.36890	0.7
71.01369	0.8
71.69041	0.7
87.00874	1.8
113.02434	1.1
120.04535	3.8
121.02929	8.0
135.05630	100.0
178.22252	0.9
245.09160	1.8
278.08163	3.4
300.11130	1.0
301.15604	20.0
308.12973	3.4
409.98080	0.9
437.21912	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2029
Annotation	glas#1
Peak:m/z	Relative Intensity
50.22787	1.0
54.50821	1.1
59.01129	1.9
59.01380	30.3
59.33674	1.0
59.60894	1.2
71.01363	5.7
73.02952	1.8
84.99883	1.2
85.02921	1.4
87.00854	1.4
87.01494	1.3
89.02423	9.2
89.20123	1.2
92.90484	1.2
96.95997	1.6
101.02444	8.8
113.02401	2.9
119.03459	2.7
153.12862	4.8
165.05524	1.7
167.14423	1.8
169.12344	2.7
177.12735	1.3
195.13922	6.6
196.50987	1.2
197.11783	1.8
202.99033	1.6
213.14949	18.2
215.12848	28.1
229.14520	1.5
239.12784	1.7
257.13959	10.3
275.15009	15.1
305.42648	1.3
377.18002	8.2
393.36484	1.4
437.14468	4.8
437.20218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73626	0.7
59.01373	4.4
63.32618	0.7
65.67138	0.7
71.01375	8.5
71.05003	3.3
78.16096	0.8
78.25160	0.8
84.59895	0.7
88.04025	100.0
96.96000	4.4
136.50125	0.8
146.08215	47.7
151.48311	0.9
159.33377	0.8
218.10318	96.5
259.25824	0.8
377.14725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34783	1.7
59.01376	100.0
66.91210	1.5
71.01376	17.2
73.02936	4.2
83.01388	2.4
85.02934	11.4
87.00883	1.7
89.02419	10.0
101.02430	14.4
113.02431	10.1
119.03480	2.6
125.02363	1.8
154.95010	1.8
161.04582	3.1
189.14883	2.3
333.19257	31.0
351.20193	16.7
393.21207	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	437.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
65.16386	1.4
66.49684	1.5
71.01378	14.9
71.76627	1.4
73.02931	2.3
78.26019	1.4
80.07337	1.4
81.00713	1.7
85.02917	3.7
87.00839	2.3
89.02416	6.5
99.00916	1.7
101.02434	11.6
113.02419	7.6
123.61173	1.7
161.04532	2.6
225.69159	1.8
233.15485	7.0
315.18124	3.2
357.19272	11.3
359.71252	1.7
437.17398	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	437.203
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
50.87938	2.0
55.01878	3.4
57.03447	8.6
59.01381	46.1
67.04882	1.8
71.00980	3.3
71.01371	100.0
73.02939	39.5
75.00866	3.0
75.69003	1.7
83.01385	13.0
85.02939	46.6
87.00841	2.0
89.02435	28.4
95.01397	7.2
96.95995	8.3
97.02970	2.5
99.00855	17.0
101.02422	67.8
103.43724	1.9
113.02428	51.8
125.02443	2.4
143.10739	14.3
144.09692	2.2
149.04559	2.5
159.02985	4.6
159.37967	2.2
161.04550	31.8
164.65247	2.0
200.22746	2.1
217.77083	2.2
246.94925	1.8
249.98831	2.4
305.16055	94.3
347.20987	2.2
368.82495	2.1
437.20230	91.4
447.13901	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	437.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05411	1.8
59.01376	14.2
74.81428	1.9
78.09646	1.9
87.00855	4.5
92.19403	3.4
93.94685	1.7
110.02432	2.4
111.00897	7.9
125.06065	18.0
134.03728	44.6
135.04524	3.7
149.02423	4.6
149.06075	100.0
150.03200	23.1
151.00389	4.3
151.04022	3.6
164.04790	15.2
165.05557	54.8
166.02710	60.4
179.07143	10.8
180.04294	3.8
181.05078	85.8
181.09811	9.7
195.06598	14.5
207.07646	2.4
223.06065	3.6
231.10249	7.7
275.10504	3.5
298.09909	1.9
315.13831	3.3
333.14468	3.3
341.11377	7.8
342.12186	4.6
357.14493	42.9
419.14679	4.1
437.14911	85.9
437.22723	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	437.1455
Annotation	Cnidimoside A
Peak:m/z	Relative Intensity
50.70805	1.7
59.01371	4.3
72.99297	25.3
73.68444	1.8
96.95991	26.9
123.04459	2.1
148.00978	1.8
149.02449	8.2
150.03214	36.2
151.04015	18.4
164.04778	11.3
165.05545	51.7
166.02698	3.0
171.12688	1.9
178.06343	1.9
179.07101	3.5
180.04227	7.0
181.05063	10.0
195.06624	10.2
197.38997	1.9
208.03729	3.0
222.05273	2.6
223.06061	11.8
241.07195	12.6
357.19620	1.9
371.11398	2.3
389.12576	3.9
434.15720	2.1
437.14557	100.0
437.20102	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	437.1452
Annotation	1,10-Epoxy-14-hydroxyhypocretenolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.49109	2.3
54.76805	2.8
57.03447	4.2
57.34371	2.7
59.01368	18.7
62.19086	2.5
67.01876	5.1
69.50152	2.6
71.01369	3.9
83.05005	12.6
92.40800	3.1
98.75847	3.1
111.00859	4.4
125.06071	100.0
134.03725	5.4
149.02420	4.5
149.06096	21.0
150.03201	31.9
151.00307	3.9
151.04033	3.5
163.07564	3.6
164.04796	13.2
165.05559	43.5
166.02681	65.6
167.04425	2.8
179.07123	7.0
181.05055	78.8
187.77618	3.1
195.06572	5.0
231.10307	46.8
291.92929	3.0
357.14578	6.9
393.15714	6.3
437.14789	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1558
Annotation	Pazopanib
Peak:m/z	Relative Intensity
99.92570	100.0
112.51215	4.6
123.03205	4.5
126.06364	3.8
131.81259	4.6
141.93613	57.0
293.21274	11.2
376.13220	7.3
401.35825	4.5
436.15662	77.9
439.51022	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	436.2342
Annotation	Racemodine
Peak:m/z	Relative Intensity
61.96880	2.1
64.12984	2.3
74.02465	23.0
77.59084	2.1
83.05017	3.0
87.95143	2.0
91.07285	2.1
104.03529	50.9
249.14949	5.0
283.46744	2.3
287.20081	5.2
305.21152	7.6
318.24445	8.7
330.24432	4.6
349.11926	2.5
362.23254	20.2
369.91592	2.4
391.73102	2.3
406.22183	4.7
436.23392	100.0
447.94531	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	435.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27479	1.8
53.13223	2.2
57.20617	1.9
59.01380	100.0
65.48730	2.0
77.66100	2.1
96.42707	2.4
105.86038	2.2
116.92846	38.2
135.26837	2.4
152.99548	10.6
180.19179	2.1
304.96463	2.7
408.28665	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	436.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	19.0
61.98827	100.0
65.97670	1.3
71.01366	4.9
73.02924	8.3
77.55600	1.5
88.04227	1.3
90.48853	1.2
97.01962	1.1
101.02426	6.2
102.98603	4.4
104.71186	1.3
113.02489	1.8
124.60004	1.2
149.04494	1.6
436.11411	1.4
436.21667	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51015	3.5
52.62548	3.4
53.84407	3.3
59.01385	3.9
69.41685	4.8
83.05004	10.1
93.03450	92.1
99.65955	5.6
110.67037	4.4
111.04488	29.9
119.66441	4.4
123.64362	4.7
137.02437	100.0
150.01685	4.5
155.03494	67.7
161.12589	4.5
166.96904	4.7
168.72157	5.9
216.39664	4.9
279.23300	23.2
435.27374	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	435.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82521	0.9
57.90720	0.9
59.01376	100.0
68.21417	0.9
78.76889	0.9
103.84856	1.1
137.66647	1.1
147.24736	1.1
210.62294	0.9
222.86464	1.0
276.62357	1.0
301.34671	0.9
302.41190	1.0
326.19238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48586	3.3
87.96796	3.6
91.54834	3.6
129.09213	50.0
132.73990	4.0
141.09216	16.4
211.13435	40.3
223.13361	38.0
233.11543	100.0
245.11557	59.8
247.12924	3.7
266.59991	4.4
286.11758	15.2
317.21210	6.7
353.23346	58.2
357.20462	33.8
375.21442	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2387
Annotation	Melissoidesin E
Peak:m/z	Relative Intensity
59.01377	31.4
72.34206	1.4
73.02909	1.7
86.27699	1.2
103.38911	1.6
118.62409	1.3
130.52177	1.2
133.02885	5.2
134.03709	14.4
148.05316	2.1
160.01642	32.2
161.02434	7.4
162.03133	1.5
175.03986	89.2
178.02666	3.3
179.03513	2.3
193.05060	6.7
204.11461	1.6
252.35765	1.4
259.19113	6.3
289.14529	1.6
301.88290	1.3
358.21561	6.7
359.22461	3.3
360.19354	13.3
361.20218	30.2
375.21750	17.3
385.20267	13.4
411.23523	1.5
417.22922	7.0
435.23862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07085	70.5
65.34960	76.8
65.38885	81.0
97.24406	90.9
106.59224	80.5
118.52827	77.2
363.63263	93.7
397.26938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07014	0.5
58.79212	0.5
59.01376	100.0
60.77654	0.5
65.32034	0.5
67.54574	0.5
71.01371	1.0
73.02914	4.3
83.01395	0.7
85.02966	0.8
99.92562	2.3
101.02436	5.0
113.02440	1.0
116.92823	3.1
118.86085	0.5
128.03494	1.2
139.09126	0.6
158.93799	0.6
161.04567	0.9
187.82947	0.6
391.04993	0.7
413.20175	0.6
435.25620	4.0
445.09885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81054	0.6
59.01377	100.0
70.93660	0.7
79.22825	0.6
90.78495	0.7
115.84854	0.8
146.05879	0.7
149.95853	0.8
167.20459	0.8
207.09039	0.8
227.10719	3.9
237.84428	0.8
301.14386	1.6
384.06750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.8
60.94414	1.6
78.95898	1.8
84.04507	1.8
119.41727	1.6
135.69775	1.7
154.12196	1.9
166.06352	1.6
167.11873	3.2
169.13446	7.0
177.05559	4.1
179.07112	6.7
180.73460	1.7
188.78102	1.6
191.03583	3.4
192.07921	8.9
197.12965	2.6
205.05167	1.7
206.05879	2.7
206.29646	1.7
233.06941	2.3
234.07739	2.9
236.09311	14.6
241.38640	1.8
248.09273	8.3
262.10831	2.1
274.07184	1.7
361.17657	6.6
391.22406	24.1
417.20273	2.9
427.48413	1.7
435.21387	100.0
450.12070	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	435.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	6.4
62.81438	6.2
65.81055	4.8
89.40895	6.5
92.19975	5.9
92.69759	6.2
118.81514	5.7
138.03209	8.0
140.06175	5.6
153.05545	31.6
156.49449	6.5
168.04167	10.7
176.01094	13.2
178.06306	11.2
180.04222	6.0
191.03517	22.4
193.01407	33.0
193.05104	6.7
196.07471	7.8
207.06596	49.7
208.03737	49.2
211.09727	13.1
223.06123	47.5
224.06847	12.0
435.16599	100.0
435.22644	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	435.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53735	2.0
59.01375	100.0
73.02930	5.1
85.02907	4.2
87.00864	36.3
101.02402	3.0
105.98959	1.9
109.09746	2.1
113.02471	2.7
120.16795	2.1
120.78358	2.0
122.03680	2.0
123.04518	34.6
123.25005	2.5
130.99837	34.8
132.00612	4.9
132.53468	2.2
135.05574	6.4
149.06053	9.2
165.05556	16.7
165.06773	2.4
166.06305	14.9
175.04022	2.9
193.05003	9.4
195.03001	3.6
209.04552	3.5
224.06837	15.4
225.07697	40.6
239.09222	28.2
254.04167	16.0
255.05106	3.7
435.12051	36.1
435.21371	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	435.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	59.3
61.61359	1.3
73.02937	14.4
78.95890	2.8
101.02418	3.2
111.48830	1.4
120.99652	3.3
128.03535	2.3
137.02438	2.6
138.03218	2.4
141.64856	1.6
149.06056	6.5
151.03990	7.3
153.05554	3.2
155.03442	1.9
165.01891	14.1
165.05539	35.5
166.06342	44.7
179.03450	7.1
180.04247	9.9
181.05060	8.6
181.08656	6.6
189.12860	20.4
195.06613	3.9
199.81952	1.8
209.04562	20.6
224.06888	42.1
225.07677	100.0
239.09233	80.8
426.80490	1.6
435.16550	44.0
435.21478	12.7
435.26251	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	435.1657
Annotation	Huazhongilexin
Peak:m/z	Relative Intensity
54.25975	1.6
57.07627	1.7
58.01462	1.6
59.01374	3.9
60.94322	1.8
63.82488	2.0
68.99819	8.3
71.73457	2.0
74.02476	3.7
124.40515	2.0
128.73077	2.1
138.03183	8.1
139.03947	3.6
153.01933	9.1
153.05574	23.5
165.01947	3.2
168.04279	11.0
168.82710	2.0
176.01086	21.0
180.04283	3.6
181.05009	4.6
191.03479	33.9
192.04288	16.3
193.01408	21.6
193.04979	16.0
196.07454	19.0
207.06604	71.2
208.03735	38.0
209.04681	2.5
211.09763	9.2
223.06108	54.1
224.06847	13.6
330.80716	2.2
331.11230	4.1
332.28812	2.2
435.16589	100.0
435.21686	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	434.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35701	1.0
54.85428	0.9
59.01374	4.6
61.98827	100.0
81.53342	1.1
82.01330	1.0
83.23831	1.2
84.04326	1.0
93.88565	1.1
99.21878	1.3
134.88321	1.1
234.20642	1.1
364.77933	1.2
434.15280	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11724	1.0
56.60287	0.9
59.01377	41.7
65.48769	0.8
72.26188	1.0
76.35755	0.9
96.95989	5.3
97.17297	1.0
122.52776	1.1
150.03210	19.4
165.05553	100.0
178.58533	1.0
188.74577	1.0
208.34500	1.1
213.07703	24.3
247.48808	1.0
337.04312	1.1
435.14954	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	434.1967
Annotation	Cryogenine
Peak:m/z	Relative Intensity
51.15594	2.3
52.31468	2.6
57.09752	1.8
58.02961	4.8
58.84901	1.7
59.01365	4.0
59.18700	1.8
61.70719	1.9
61.98822	11.7
63.12731	1.9
64.12725	2.0
74.02473	22.6
86.02463	3.7
87.05621	2.9
99.05628	22.4
101.07166	2.7
109.04089	2.9
127.05105	4.0
128.03535	66.3
135.05644	4.5
137.07182	2.1
141.06650	3.3
143.04622	89.3
145.06177	3.3
146.04578	13.8
153.06702	9.0
161.10051	11.5
166.09785	3.0
167.04561	2.9
167.08192	4.1
179.04651	19.5
181.06232	2.6
192.07741	2.8
210.08827	14.6
254.07840	13.8
258.62732	2.7
272.08899	21.6
416.18588	10.0
434.19681	100.0
444.45407	2.2
446.77322	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	434.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54169	0.5
62.49149	0.5
63.20968	0.4
67.56258	0.5
78.95908	5.1
96.96001	100.0
96.96922	13.9
97.54858	0.5
98.69895	0.4
114.30705	0.5
124.63283	0.5
129.05591	3.2
159.06638	1.9
169.06888	0.6
207.39394	0.5
251.17273	0.5
336.45169	0.6
434.18643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17409	1.6
69.03457	2.3
73.02937	4.4
78.95900	25.4
81.03464	5.2
83.05024	27.0
93.03442	100.0
111.04502	42.8
137.02438	63.3
152.99561	57.1
155.03490	61.8
173.04474	3.9
277.21753	25.5
289.53653	2.3
433.26132	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	433.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30415	3.8
57.84079	4.0
59.01373	9.8
59.29523	3.6
61.85080	3.5
69.80595	3.5
71.01363	7.0
78.95895	4.7
83.01397	5.0
94.28373	3.9
101.02435	9.8
109.99316	4.4
113.16558	4.4
152.99565	28.1
209.31503	3.8
236.76892	4.3
271.22836	40.9
370.58890	4.3
433.22888	5.2
433.28137	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	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.05815	0.6
65.20625	0.5
65.79466	0.5
67.31920	0.5
69.47467	0.5
71.01372	6.1
73.02943	4.3
83.01379	0.6
85.02939	4.8
89.02441	2.7
91.67807	0.6
99.00868	1.0
101.02422	5.6
102.98583	1.2
113.02412	5.5
161.04604	1.1
219.10600	0.6
229.17902	1.4
303.93289	0.6
307.12262	0.6
373.18127	1.0
373.22443	8.8
391.23016	4.3
403.10147	0.8
433.14825	3.1
433.24225	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	433.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54897	2.2
81.03450	3.2
83.05015	13.8
93.03439	100.0
99.60874	2.0
111.04491	30.2
137.01445	4.1
137.02434	89.2
152.99567	11.6
155.03474	83.9
277.21689	23.9
379.08755	2.2
433.25693	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	433.2443
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
55.47327	0.9
57.03441	1.5
59.01377	100.0
65.11452	0.9
71.01371	36.9
71.33184	0.9
72.99300	1.4
73.02937	5.4
77.69398	0.9
78.19121	0.9
79.83129	1.2
83.01369	4.4
85.02942	14.6
87.00842	1.9
89.02427	44.5
95.01371	4.2
99.00900	1.0
99.04490	1.9
101.02423	30.3
101.06102	1.6
101.97064	1.0
113.02428	22.4
115.03964	1.4
119.03474	13.6
119.08296	1.0
119.10292	1.1
161.04521	2.6
179.05629	4.4
271.19125	11.2
273.66879	1.0
304.24036	1.0
433.11191	1.3
433.24908	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62188	0.6
59.01374	100.0
61.31913	0.7
66.61057	0.6
69.04760	0.6
71.01362	12.1
73.02935	17.3
83.01376	4.2
85.02927	5.1
86.97697	0.6
87.04484	0.7
89.02425	7.1
92.19971	0.8
99.00867	0.9
100.87714	0.6
101.02419	16.0
108.97166	0.7
113.02426	8.4
119.03504	1.4
129.38252	0.6
132.58655	0.6
143.03456	0.6
158.14459	0.7
161.04608	2.1
164.04745	0.9
167.10754	1.4
329.16159	0.9
347.17090	1.1
373.18250	1.2
373.22357	15.7
389.18155	25.4
391.23352	3.7
419.18414	0.7
433.15497	0.9
433.20493	3.2
433.24893	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.49053	0.6
64.25642	0.6
71.01358	2.4
73.02935	0.8
87.00880	0.8
89.02423	3.1
92.87930	0.6
101.02427	3.7
102.91492	0.6
113.02473	0.8
161.04530	0.9
186.23979	0.6
189.66190	0.6
241.32570	0.6
331.17676	0.7
371.95340	0.6
373.18692	6.2
433.11349	1.2
433.20486	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	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.4
58.99598	3.2
59.01087	3.0
59.01377	78.3
59.37701	1.8
71.01371	33.5
72.99295	1.8
73.02934	21.1
83.01350	9.8
85.02941	24.8
87.00839	6.4
89.02410	3.0
92.19341	2.8
95.01356	2.0
99.00852	2.6
101.02418	30.6
102.98585	44.2
113.02435	15.6
122.41498	1.7
123.04473	2.9
128.03490	1.8
129.01900	1.7
146.03606	2.2
147.04405	2.2
161.04462	3.1
163.00688	3.9
165.05591	2.7
177.70148	1.5
185.67828	1.8
273.78607	1.8
279.65112	1.8
287.45734	1.8
303.16229	2.1
373.18381	2.8
433.19418	4.5
433.24289	100.0
453.98682	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	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48510	0.5
59.01375	100.0
61.23303	0.6
71.01379	6.1
72.15796	0.6
78.14206	0.6
85.02925	1.6
89.02432	8.9
89.93740	0.7
95.27579	0.7
98.83926	0.7
101.02431	3.6
113.02435	3.3
113.68114	0.8
119.03485	2.6
140.89859	0.7
149.13388	0.8
158.76672	0.7
161.04526	2.9
179.05629	1.3
193.12267	1.5
216.73799	0.7
245.89235	0.7
338.69766	0.7
347.54575	0.7
348.62927	0.6
373.18765	6.0
388.45871	0.7
433.20831	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25077	0.8
59.01379	100.0
62.28605	1.0
71.01377	3.5
73.02937	7.7
83.01378	1.1
85.12511	0.9
85.34852	0.8
89.02433	1.6
101.02415	6.8
102.98589	4.2
113.02432	1.1
161.04552	4.4
163.00757	1.1
171.17662	0.9
190.33963	0.9
203.95602	0.9
221.06667	1.3
274.46356	1.1
275.98871	0.9
316.75494	1.0
331.17648	1.2
345.57376	1.2
373.18680	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01377	100.0
70.62428	0.4
71.01373	3.8
73.02945	0.9
73.41150	0.5
85.02934	5.5
87.00874	2.2
89.02446	3.4
96.96033	1.0
100.37478	0.5
101.02421	3.6
111.00867	2.8
113.02426	2.0
119.03455	0.5
123.27703	0.5
128.24733	0.5
151.07706	0.5
161.04555	1.8
179.05692	0.8
181.05127	1.2
196.07414	7.2
211.09767	9.1
233.87340	0.5
337.00314	0.5
433.16675	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	433.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	31.5
71.01373	75.9
78.74754	1.6
85.26117	1.6
92.19962	5.1
92.94717	1.4
115.00352	28.1
139.98270	1.6
179.55145	1.5
186.10191	1.5
197.81424	1.6
251.76915	1.6
253.77777	1.7
299.17542	3.2
317.18692	100.0
375.35291	2.3
433.19772	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	433.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45287	0.8
57.03437	1.1
59.01378	100.0
59.86812	0.9
62.43822	0.9
71.01368	15.8
73.02937	21.7
83.01372	2.3
84.55032	1.0
85.02943	6.5
87.00853	1.8
89.02431	9.7
95.01380	1.5
96.99265	1.0
99.00832	1.8
99.80129	1.0
101.02439	20.4
102.98582	2.1
113.02434	9.3
119.03436	3.5
143.03488	1.1
151.59648	1.1
161.04558	1.7
167.10739	5.8
185.11800	1.9
227.03424	1.2
269.04608	1.2
347.17169	6.0
348.77045	1.1
373.18430	1.6
373.22360	1.5
389.18204	51.6
391.19260	1.4
391.26990	5.3
433.20190	11.8
433.28842	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	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00988	1.0
57.03460	1.2
59.01377	100.0
60.10148	1.3
66.26897	1.2
71.01361	12.0
73.02930	12.2
82.31187	1.3
83.01370	2.0
85.02948	3.1
89.02427	6.9
93.30260	1.5
99.00862	1.4
101.02422	13.0
102.98595	1.3
109.35429	1.3
110.37420	1.3
113.02435	5.3
136.22481	1.4
163.53149	1.3
167.10782	2.3
167.31190	1.7
169.64734	1.4
178.63315	1.2
185.11852	9.7
271.08807	2.6
282.36951	1.5
329.15976	2.4
347.17041	18.4
373.18390	2.4
389.18140	52.2
433.14597	4.5
433.20044	3.9
433.28629	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88247	3.1
57.11683	3.1
59.01379	51.7
60.37280	3.6
71.01360	6.4
85.02937	7.5
89.02416	13.9
101.02477	4.1
103.69972	4.4
113.02409	8.5
130.48653	3.3
193.53989	4.0
200.10793	7.6
214.07466	20.0
224.10814	5.6
226.07388	4.0
227.07251	4.8
237.06673	5.4
238.07426	48.3
242.07028	19.3
243.11374	63.3
253.09845	47.4
255.11360	21.3
267.11322	14.9
271.10861	100.0
285.12323	7.0
295.10864	14.4
313.11923	20.3
343.12808	3.7
433.16681	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	433.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14684	1.8
59.01387	16.1
59.90227	1.8
67.34177	1.6
72.25558	1.7
73.50250	1.6
76.04492	2.2
83.01411	2.0
92.20051	2.0
95.01380	3.0
101.02350	1.7
123.00848	4.1
125.02391	2.8
126.24988	2.3
128.03516	10.6
138.03200	3.2
139.00352	12.7
143.08350	2.8
145.09790	4.5
153.06639	2.6
158.91988	2.0
166.02689	3.5
171.07721	18.6
177.01923	3.9
177.05617	2.3
178.02710	8.6
181.04996	4.2
189.08792	13.9
192.04364	3.0
193.05083	21.0
203.03471	2.6
207.06604	8.9
218.05782	9.6
225.32117	2.0
343.08118	10.1
355.08060	3.2
357.09976	2.4
358.10678	9.5
373.09027	4.1
373.13028	16.8
403.09848	17.8
418.12610	4.5
433.14969	100.0
433.20010	27.7
433.27969	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	433.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83405	1.9
63.86576	2.3
66.21543	2.1
68.99818	5.0
69.99801	2.5
73.92421	2.5
78.95901	4.9
138.03206	5.0
142.14398	2.4
153.05573	15.1
178.02554	2.4
179.03522	19.5
193.01393	16.8
194.05853	100.0
199.45825	2.7
207.06627	5.8
208.03763	34.6
209.08194	95.0
223.06149	37.0
259.02237	2.6
346.68582	2.8
433.14981	11.9
454.51755	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35297	1.2
59.01373	5.9
87.72369	1.1
92.20082	2.4
99.65760	1.3
149.02460	10.9
152.01170	5.3
163.03993	1.4
164.04782	32.9
179.07109	11.9
193.01393	8.9
208.03766	78.3
223.06111	100.0
304.90424	1.3
331.69315	1.3
433.14655	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.093
Annotation	Sinaticin
Peak:m/z	Relative Intensity
59.01373	11.8
87.00873	3.5
158.57361	2.6
174.03192	3.4
184.01987	2.4
186.49425	2.5
198.03259	30.7
213.01944	9.4
213.05431	5.2
229.08650	3.8
242.02139	13.3
257.04556	100.0
306.28354	2.4
433.09436	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	433.1139
Annotation	5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone
Peak:m/z	Relative Intensity
68.03186	0.4
71.92358	0.3
87.02060	0.5
113.87432	0.4
143.05000	2.3
143.46042	0.4
157.06508	0.6
159.08157	2.0
183.08139	2.9
185.06087	7.5
196.57545	0.4
204.20110	0.4
227.07135	100.0
253.05034	4.5
271.06119	0.8
433.11407	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1286
Annotation	Haplopappin
Peak:m/z	Relative Intensity
53.98142	1.8
54.76157	1.9
59.01384	17.0
62.59518	1.8
82.66980	3.2
117.03459	3.5
232.56586	2.2
251.09648	2.9
257.04590	8.6
258.49698	2.3
342.05298	2.7
374.04535	2.7
387.08774	100.0
401.10739	3.0
433.13235	68.4
433.27246	3.4
438.75110	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36943	0.9
72.56431	1.0
80.72138	0.9
84.84810	1.1
86.53333	1.0
91.05521	25.4
96.04546	2.1
100.39722	1.1
117.11683	0.9
118.06615	37.0
137.53630	0.9
147.04500	7.3
149.30576	1.0
164.07141	1.0
180.39839	0.9
184.38409	1.1
188.81586	1.1
200.10773	2.1
255.55853	0.9
258.82828	0.9
284.17621	6.1
296.17435	1.2
388.24072	6.9
432.22925	100.0
449.09851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49805	0.7
65.60897	0.7
69.61953	0.9
69.80193	0.9
77.96516	0.9
91.05522	3.6
97.05298	2.1
100.88605	0.9
118.06613	15.8
123.38216	0.9
146.99019	1.0
147.04471	2.0
164.07239	1.2
164.34680	0.9
185.10924	0.9
187.10770	1.5
187.12405	30.8
200.10796	4.9
245.10588	7.8
272.54187	1.0
277.08835	1.1
432.22940	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	432.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67279	0.8
55.29768	0.9
61.62322	1.0
80.17353	0.9
91.05521	17.7
96.04532	5.5
118.06605	37.0
147.04501	9.2
154.73282	1.0
164.07187	1.9
200.10788	2.2
213.49638	1.2
216.56107	1.2
228.11406	1.1
284.17670	6.2
388.24026	7.1
432.22925	100.0
437.84378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16167	2.4
59.01376	100.0
62.77807	3.0
68.93140	2.9
69.40392	2.5
73.11913	3.0
77.77528	2.6
79.41496	2.7
80.25820	3.3
89.02414	5.2
90.29558	2.6
105.41961	2.9
127.95407	3.1
230.59842	3.7
315.98129	3.8
326.89828	3.2
371.24481	6.8
389.25235	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	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	48.9
59.01670	2.2
60.01708	4.8
61.98829	100.0
70.73129	1.0
71.01358	4.8
73.02940	2.0
85.02937	1.9
101.02425	6.1
113.02392	4.7
119.04979	1.3
206.99500	1.3
227.07158	4.7
228.07455	6.7
237.37920	1.3
269.08255	17.7
270.08557	39.1
303.17401	1.3
372.21143	18.2
432.23343	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	432.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03189	1.4
57.03447	29.0
58.03778	2.8
59.01090	2.7
59.01375	79.3
59.70155	1.0
60.01704	6.8
70.46819	1.2
71.01371	16.8
72.01706	2.2
73.02937	10.4
83.01358	2.2
85.02930	10.8
86.03295	1.3
89.02434	9.1
90.02757	1.3
91.26131	1.3
101.02415	24.8
102.02740	6.0
107.08605	1.7
113.02422	25.4
114.02746	6.4
119.03415	1.3
127.78461	1.4
137.19856	1.2
147.11751	2.6
148.12057	5.5
150.05008	1.3
164.95915	1.1
209.11861	2.8
210.12138	7.0
432.19519	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	431.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18445	0.5
59.01376	100.0
71.01382	4.9
73.02946	2.7
85.02934	4.2
87.00844	1.1
89.02380	0.7
92.20034	0.7
101.02413	6.3
103.31095	0.5
113.02456	1.5
126.51691	0.6
365.26794	0.7
371.24277	5.1
389.25485	4.2
431.17285	0.8
431.26459	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	431.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
75.49421	2.5
78.95892	31.7
93.83790	3.1
116.92814	3.4
152.99559	100.0
214.29941	3.1
225.61305	3.0
225.94104	2.9
259.33105	2.7
346.29483	2.9
400.49112	3.3
431.22150	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	431.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27696	93.8
83.72559	83.3
111.77132	86.1
136.10516	96.2
185.26903	87.9
329.98077	95.0
357.38910	94.2
428.09708	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	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55892	1.1
51.42735	1.1
59.01373	1.2
71.78952	0.9
92.69353	1.0
97.06573	5.1
125.09705	100.0
142.83890	0.9
169.08714	6.9
185.25275	1.0
187.09752	93.7
261.13403	8.8
431.22852	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12580	4.6
59.01375	12.7
64.89242	5.6
68.83176	6.0
71.43881	5.2
72.04537	35.8
92.19373	5.8
118.21788	6.3
137.09744	6.9
142.49779	5.7
171.14995	9.6
189.12860	41.8
191.14391	22.3
200.32767	6.1
215.14099	6.5
227.17696	7.4
249.00864	6.6
354.13803	5.5
431.25558	100.0
441.27069	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.9
117.41053	7.0
121.33517	7.1
125.09678	100.0
187.09732	93.7
191.48541	7.2
373.90076	10.2
431.22717	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
63.72652	1.0
69.43357	0.9
71.01371	9.6
73.02927	6.7
76.31458	0.9
85.02932	8.7
87.51141	1.0
89.02433	4.2
99.00866	1.4
101.02431	11.7
102.98561	1.2
113.02430	5.7
118.13053	1.0
119.03425	1.4
127.75565	1.0
161.04562	5.7
183.67424	1.0
229.76906	1.1
260.42249	1.0
265.10828	1.9
269.08221	1.1
269.17551	1.3
371.11322	2.4
371.20761	29.5
401.15967	1.9
431.17554	1.7
431.22861	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64428	1.2
57.03441	1.5
59.01380	100.0
66.02316	1.2
71.01380	12.2
73.02934	15.2
83.01359	2.2
85.02945	6.4
88.23460	1.3
88.44487	1.2
89.02415	7.6
97.06564	3.1
101.02450	12.0
113.02419	6.7
122.01661	1.2
127.23532	1.2
128.69606	1.2
139.07625	6.6
157.08694	35.3
159.02928	1.3
161.04477	1.4
173.11842	1.7
181.93166	1.3
197.11758	6.7
215.12901	3.0
310.84454	1.8
371.20804	18.8
389.25909	1.6
401.21631	2.4
431.17429	2.8
431.22357	31.4
431.27588	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	431.2285
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
55.79589	1.5
57.03445	11.6
59.01377	100.0
59.01671	3.9
62.51444	1.6
69.03419	1.9
71.01373	37.6
73.02938	14.9
83.01354	4.4
83.05020	3.9
85.02939	16.1
87.00864	3.1
87.04480	3.6
89.02425	37.8
95.01342	2.4
99.04504	2.9
101.02443	30.1
102.77943	1.9
109.06526	3.2
113.02422	20.1
113.05987	2.6
119.03468	15.5
119.04977	16.9
123.08199	2.1
131.03423	3.6
138.20813	1.7
145.54887	1.9
149.02396	15.4
161.04517	7.9
177.84737	1.9
179.05589	8.4
209.15425	2.7
221.06628	3.4
269.08218	26.5
373.48880	1.8
431.23288	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
57.03428	1.1
59.01376	27.4
70.69575	0.8
71.01373	18.3
72.99295	23.0
73.02924	5.0
80.19314	0.9
83.01373	4.8
85.02943	7.8
87.00884	2.9
89.02437	8.5
101.02428	13.7
102.98603	1.3
105.81297	0.9
113.02422	7.7
119.03465	1.8
150.18332	0.9
175.40050	1.0
193.40239	0.9
251.16507	1.6
269.17444	3.0
296.57193	0.8
298.51376	0.9
301.14615	2.1
315.18018	1.1
402.13834	1.1
413.21875	2.9
431.18216	3.9
431.22812	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	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.5
59.01376	100.0
68.02242	0.9
71.01373	15.4
73.02950	10.3
83.01375	2.8
85.02937	6.7
89.02432	12.6
93.81898	0.9
95.01327	4.0
99.04517	1.2
101.01817	1.1
101.02425	26.0
107.08627	1.4
110.98227	1.0
113.02447	17.8
119.03391	4.3
147.11725	3.2
153.08763	1.1
161.04446	1.6
179.05502	1.5
189.19528	1.0
209.11711	6.2
220.38939	0.8
328.78363	1.0
371.20636	1.1
378.44952	1.2
389.21872	3.4
431.18869	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
64.51424	0.6
71.01356	4.5
73.02933	1.5
78.39612	0.6
79.48231	0.6
85.02956	1.4
89.02415	3.0
92.19292	0.7
101.02425	4.6
102.98583	1.2
113.02425	1.5
132.06252	0.6
168.73798	0.6
191.10736	0.8
204.44762	0.7
218.11787	0.7
301.14594	0.9
315.94492	0.7
371.17001	4.0
431.17911	2.6
431.23312	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	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39734	1.8
51.25992	1.5
56.46132	2.0
57.03439	33.4
57.43240	1.9
59.01380	80.0
59.33176	2.1
59.71945	1.9
60.21878	1.8
66.19186	1.8
71.01374	16.7
73.02940	56.3
83.01370	9.1
83.89758	2.3
88.98759	2.5
89.02438	3.2
91.01084	1.8
92.19306	2.4
94.85558	1.9
101.02425	44.1
113.02427	9.0
119.05006	60.8
147.11797	8.6
149.02420	42.4
155.28375	2.1
203.12440	2.1
209.11827	10.1
268.03690	3.1
269.08203	52.0
387.16785	8.4
431.14005	6.5
431.19098	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	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	20.6
59.01379	100.0
60.01686	1.8
71.01372	14.1
73.02936	30.1
83.01351	3.3
85.02932	5.2
87.00820	1.6
89.02443	11.6
101.02434	24.7
107.08674	3.3
113.02386	7.3
125.92521	1.4
147.11720	6.1
149.09647	1.3
161.04515	2.1
209.11880	2.4
225.33020	1.8
239.17162	1.4
269.04391	1.9
346.04654	1.8
371.20081	5.4
389.20694	6.2
431.18994	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09348	1.0
59.01366	2.0
59.98525	1.2
71.01372	20.0
73.37296	1.1
77.41371	1.1
81.63139	1.0
82.60168	1.1
92.49255	1.1
97.02936	45.2
97.03576	1.7
98.03722	18.9
113.72382	1.1
115.00364	22.9
149.02464	1.5
171.08139	1.6
201.10321	13.7
202.35435	1.3
203.12022	1.5
205.01009	1.5
217.13510	6.4
226.12482	1.2
255.15019	6.1
256.15897	2.5
271.18210	2.3
285.12198	1.2
300.14795	91.6
305.04428	1.5
315.17166	100.0
369.04550	1.5
373.40927	1.5
377.37286	1.2
416.15909	15.7
431.18347	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66038	1.5
54.90722	1.4
57.03448	35.6
59.01379	63.0
71.01368	17.1
73.02936	48.7
83.01369	7.0
85.02946	1.7
89.02436	3.0
101.02418	37.3
107.08615	2.4
113.02393	2.8
147.11754	13.0
189.90166	2.2
209.11806	8.8
217.96303	1.8
431.19229	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	431.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19884	1.2
59.01377	7.8
59.98516	1.5
71.01374	25.1
76.03465	1.2
89.02431	6.6
92.19322	1.7
97.02937	42.4
98.03714	16.6
115.00370	24.2
123.03354	1.3
201.10353	16.4
217.13495	6.0
225.02336	1.4
251.00131	2.6
255.15092	3.5
256.15771	2.5
264.60904	1.4
271.18066	2.5
300.14792	100.0
307.85599	1.5
315.17166	94.3
411.01276	1.5
416.15857	21.2
430.78833	1.5
431.07288	1.9
431.18335	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	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.19931	0.9
62.68298	0.9
67.47712	0.9
77.07522	1.0
88.98779	1.4
89.69572	1.0
101.02470	2.1
109.88519	1.1
113.02455	1.1
137.02316	1.6
144.24123	0.9
176.04770	1.7
179.03448	1.9
194.05826	11.8
209.08183	19.6
218.52791	0.9
235.70465	1.2
253.48293	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	431.171
Annotation	Magnone B
Peak:m/z	Relative Intensity
52.46926	2.1
52.59060	1.7
59.01085	3.8
59.01373	100.0
71.01355	3.2
85.02924	2.8
89.02393	3.0
101.02419	9.0
101.06597	1.9
102.09507	2.2
102.51054	2.1
107.51468	1.9
113.02400	3.2
125.19728	2.1
128.82880	2.2
142.36867	2.0
160.01620	9.4
161.06050	3.0
162.06876	9.6
166.72972	2.5
180.04289	2.4
199.19409	2.1
202.73820	2.0
220.65070	2.1
221.08141	13.0
222.08978	36.5
250.08424	8.9
254.07791	2.5
265.10794	61.7
284.10654	2.4
296.07037	4.3
300.85822	2.4
311.09277	19.4
312.10068	3.2
327.12308	19.8
328.09692	2.7
340.09415	4.6
341.10385	2.6
343.11887	5.2
353.10318	3.4
356.09000	16.3
367.11884	4.2
368.08936	5.1
371.11356	66.1
371.20679	11.7
383.11325	42.2
386.13849	25.2
398.13785	9.3
401.16074	86.4
413.16061	56.5
431.17230	19.4
431.22433	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	431.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30209	0.4
59.01385	1.6
66.51358	0.4
67.17490	0.3
71.01373	0.6
79.92294	0.4
87.00862	0.7
88.98809	1.0
89.02434	100.0
101.60374	0.4
208.24026	0.4
219.22539	0.4
232.45142	0.4
341.10861	2.7
398.13419	0.4
431.14206	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	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06866	3.2
57.16456	3.3
59.01378	100.0
59.85104	3.6
71.01363	20.0
73.02933	79.8
83.01381	6.0
89.02440	6.0
101.02417	49.6
108.03238	3.4
113.02433	4.8
116.78032	4.0
121.10210	43.7
125.54559	3.6
161.04515	6.9
320.61478	4.8
343.89944	3.8
387.16672	51.5
404.99582	3.6
440.83008	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	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
55.58450	1.2
57.03434	2.4
59.01374	53.7
61.73021	1.0
64.64945	1.2
71.01366	57.2
72.99296	2.1
73.02935	24.4
75.00866	1.3
83.01358	14.1
85.02942	34.8
87.00842	5.5
89.02427	22.5
95.01344	5.1
96.95993	1.7
99.00854	9.5
101.01793	2.4
101.02423	54.3
106.66547	1.2
111.33104	1.3
113.02438	32.8
119.03470	5.7
129.01883	1.6
143.03506	1.7
159.02869	2.7
161.04539	22.8
175.10257	1.3
231.64787	1.4
269.10266	27.4
384.11792	1.6
396.74570	1.4
431.15479	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	431.1349
Annotation	7-Hydroxy-3',4'-methylenedioxyflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.24599	0.4
59.01380	12.9
71.01366	1.6
87.40913	0.4
101.02428	2.1
105.03381	0.4
113.02431	0.7
119.05005	6.6
148.08498	0.4
149.02417	2.1
161.04517	0.5
163.04025	0.5
175.04027	1.9
182.07341	0.4
183.08115	0.8
185.06065	0.7
225.05881	0.4
225.09189	2.4
227.07135	17.1
251.07031	0.6
253.05093	3.9
269.08194	100.0
274.87570	0.5
280.81653	0.4
311.09402	0.9
371.20779	4.6
409.86075	0.4
431.13132	0.9
431.22842	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	431.1348
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
50.25116	0.5
55.67710	0.5
59.01390	0.6
61.29518	0.5
67.80766	0.6
74.80804	0.5
105.03444	5.0
119.05008	72.8
145.02939	2.6
149.02434	46.3
149.03360	0.6
154.51842	0.8
163.03983	6.8
167.03468	1.0
225.09244	1.5
227.07008	2.7
267.61063	0.6
269.08209	100.0
282.14041	0.7
293.08469	0.7
343.19833	0.7
376.31461	0.9
431.13559	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	431.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56647	1.0
57.45235	1.0
58.87929	1.2
59.01380	27.6
59.11698	1.1
61.51959	1.1
62.91676	1.2
63.02284	1.1
71.01378	3.0
73.02933	2.2
76.95205	1.2
85.02936	1.8
89.02417	1.6
90.78637	1.3
92.19971	1.3
93.86562	1.3
101.02412	1.4
113.02452	1.3
115.23943	1.2
121.02943	1.8
139.03960	1.5
151.04073	1.7
160.01598	4.9
161.01048	1.4
161.02425	42.6
163.03999	1.3
173.02373	2.7
173.72406	1.2
175.03996	19.2
176.04773	100.0
185.93066	1.3
188.04823	2.0
189.05524	1.7
190.06357	18.1
191.03500	16.8
191.07166	18.9
196.49689	1.3
198.34686	1.3
201.05611	1.4
203.07089	1.6
205.05060	21.7
206.05841	16.8
220.07332	1.8
221.08208	19.2
233.99573	1.3
239.10747	2.1
268.07318	4.9
280.07416	1.5
281.04739	1.6
283.09805	1.8
293.04541	2.0
296.06909	6.0
297.04214	4.1
307.06104	1.9
308.06897	1.4
309.04166	2.2
311.05829	2.2
311.09320	4.8
312.06439	14.6
323.09171	1.9
324.06421	10.3
326.07962	8.3
327.08694	20.2
339.08728	33.6
341.10342	5.5
342.10962	8.3
354.11240	11.3
357.13470	92.6
369.13394	5.8
371.20547	2.6
387.14600	6.1
401.12299	12.8
413.12369	26.6
431.13416	2.1
431.22794	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11266	0.4
60.99305	11.2
88.98790	100.0
89.01894	1.0
89.02429	26.1
90.98190	0.5
92.19926	1.0
96.56388	0.5
120.66357	0.6
214.14987	0.5
341.10776	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	431.1134
Annotation	Torin 2
Peak:m/z	Relative Intensity
51.76473	2.5
66.49842	2.8
85.38322	4.4
94.67759	3.2
103.30682	2.7
104.35046	2.9
116.74394	2.7
116.92857	5.0
180.75694	2.8
316.07751	3.2
385.07184	100.0
431.11331	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0983
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
51.40326	1.1
59.01379	100.0
60.22676	1.2
63.47549	1.4
71.01375	12.9
73.02936	7.4
83.01354	1.5
85.02970	3.0
89.02405	6.0
96.95990	2.6
100.00018	1.3
101.02405	13.0
113.02404	6.9
117.03436	2.0
121.02951	1.4
124.08868	1.4
143.03511	2.0
161.04578	2.2
239.07043	1.8
269.04633	5.9
281.04547	3.2
282.05145	2.3
283.06140	69.8
293.04654	3.3
295.06296	5.6
311.05621	94.5
323.05576	11.2
341.06586	21.7
353.06900	2.2
371.20679	12.5
389.21811	9.8
431.09854	75.6
431.18112	3.6
431.23654	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	431.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41414	3.2
53.91809	3.6
59.01370	5.5
59.12223	3.2
60.99302	4.6
73.02977	4.0
86.59267	4.0
88.98792	20.7
89.45334	4.5
100.02261	100.0
113.80565	5.3
120.01234	63.3
152.04718	4.9
153.03819	4.3
165.06815	4.3
172.26514	3.9
175.04037	20.0
202.05103	32.2
208.02013	65.3
217.07417	78.3
223.04375	69.5
232.09819	86.2
253.00908	4.1
254.87029	4.0
257.03159	20.1
266.08575	67.3
266.68198	4.1
310.07510	7.5
344.06451	9.2
431.09705	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	430.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04736	1.0
54.12498	0.8
59.01379	17.1
67.36549	0.9
71.01367	5.8
72.01685	1.4
73.02966	1.5
85.02947	2.2
87.00853	1.2
95.03738	1.1
101.02435	1.8
108.91049	1.0
113.02446	1.4
136.07663	2.5
148.04333	2.1
156.08192	1.7
158.09743	8.3
161.04543	1.5
210.12820	1.3
228.07010	4.4
229.07695	1.4
266.84775	1.0
274.71802	1.1
294.97531	1.1
324.20941	1.9
338.22433	2.1
382.21335	6.7
386.22708	1.6
398.28055	1.1
402.18420	1.4
430.21710	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25684	1.6
59.01380	100.0
76.98547	2.0
77.30919	1.8
79.63240	2.0
104.16245	1.9
235.22975	2.2
252.56271	2.1
295.22726	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	430.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58936	2.0
57.17747	2.0
59.01377	23.7
59.51563	2.2
60.01710	2.8
71.01369	21.1
83.84605	2.6
85.46245	2.3
88.04025	9.8
93.79289	2.5
114.01929	5.9
115.00372	18.5
128.03479	3.1
132.03009	18.4
164.03632	3.0
197.32207	2.2
199.06583	2.6
226.06488	16.5
226.08234	2.5
238.06299	10.5
241.08615	24.7
269.06912	13.0
281.06976	10.1
282.07715	3.0
284.09323	20.0
285.07623	9.6
296.09244	5.0
297.07660	3.4
368.11365	3.9
413.41885	2.5
424.59775	2.9
430.11435	100.0
430.20792	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59159	0.8
59.01379	100.0
60.61413	0.8
62.95179	0.7
88.74234	0.7
91.03979	1.1
97.49095	0.8
193.38893	1.0
277.21680	1.8
295.22830	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04249	3.3
52.95969	3.1
59.01376	100.0
122.12272	3.7
275.38550	3.9
357.27634	4.6
369.15259	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
65.15071	0.9
80.87585	0.9
103.73992	1.0
117.59998	1.0
136.55197	1.1
146.17613	1.0
185.45149	0.9
195.13870	1.8
206.88214	1.1
277.21786	1.4
295.22787	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81897	0.7
57.03440	1.3
59.01376	100.0
67.32084	0.7
71.01372	23.3
72.18103	0.7
73.02930	7.6
76.75431	0.9
81.94563	0.7
83.01370	1.4
85.02934	11.4
89.02432	10.6
91.54491	0.8
95.01369	3.6
101.02426	13.3
105.28854	0.8
113.02433	22.0
119.03460	1.5
135.02721	3.8
135.74422	0.8
145.06122	1.2
152.08432	7.4
161.04530	4.2
179.01637	1.6
197.56068	0.9
225.14883	3.5
256.20239	1.0
266.03177	1.6
266.05801	21.5
267.06607	26.1
354.16711	1.5
369.19186	39.7
387.20306	15.6
429.12448	9.5
429.21793	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	429.2128
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
51.02596	1.5
53.06104	1.3
59.01379	100.0
64.68900	1.2
71.01375	16.4
73.02930	6.3
79.59184	1.3
83.01364	3.0
85.02929	8.3
87.20867	1.4
89.02434	12.4
95.01360	2.0
101.02435	20.0
110.36849	1.7
113.02419	13.1
118.66097	1.6
119.03470	1.7
140.02557	1.4
154.47188	1.6
156.99686	1.5
161.04507	1.8
183.53539	1.7
189.12680	1.5
198.54163	1.5
225.14912	3.1
252.86760	1.6
338.30701	1.6
360.54425	1.6
369.19208	25.3
387.20215	23.1
429.14313	2.4
429.21170	8.5
446.16049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Dendroside F
Peak:m/z	Relative Intensity
56.31251	1.0
56.43308	1.0
57.03451	1.1
57.62440	1.0
59.01375	100.0
66.86747	1.0
71.01346	10.9
73.02939	1.5
75.00865	1.6
78.41619	1.2
85.02931	5.0
87.00878	1.5
88.15242	1.1
89.02425	15.3
92.19887	1.4
101.02434	9.4
113.02409	5.3
119.03446	5.3
137.09718	2.2
161.04503	2.7
179.05576	5.6
199.36964	1.1
239.28387	1.1
267.07175	1.2
307.54816	1.1
355.32288	1.1
429.21109	10.0
441.90430	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	429.213
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
50.79327	0.6
51.75549	0.7
55.01882	0.9
59.01378	100.0
63.61907	0.7
63.65704	0.7
66.57999	0.6
71.01373	26.0
72.45206	0.7
73.02933	10.1
80.35665	0.8
81.22395	0.7
83.01385	5.6
85.02928	9.3
87.00853	1.5
89.02425	24.5
95.01379	3.0
99.00874	0.9
101.02429	29.2
113.02433	17.4
119.03484	9.9
122.97035	0.8
131.22444	0.8
137.09651	1.0
152.08443	1.8
161.04515	1.6
163.11333	1.1
207.13898	3.7
225.14931	13.7
277.51242	0.7
328.53595	0.9
369.15176	0.8
369.19144	36.6
387.20233	37.8
429.21295	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
52.94118	0.9
56.87373	0.9
56.96283	0.9
59.01379	100.0
71.01375	12.1
71.36118	1.0
73.02934	5.9
83.01402	2.4
85.02950	6.6
89.02431	6.5
92.19421	1.2
92.35125	1.0
101.02429	13.4
107.32812	1.1
111.85532	1.1
113.02425	8.1
119.03484	1.7
161.04599	2.4
194.76094	0.9
271.70367	1.2
369.13797	3.0
369.19150	4.5
387.20322	5.1
429.21304	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
50.53757	1.3
53.00113	1.2
59.01378	100.0
60.58157	1.3
71.01378	24.0
71.08077	1.2
73.02935	29.5
73.22726	1.3
73.68695	1.2
76.49319	1.4
81.68047	1.6
82.32607	1.7
83.01386	3.5
85.02929	9.8
87.00838	1.6
89.02435	18.0
95.01336	2.4
96.40381	1.4
96.43901	1.5
101.02435	31.9
113.02431	14.4
119.03503	7.1
146.38599	1.5
148.07460	1.4
149.04591	1.6
152.08444	8.0
161.04536	3.3
225.14876	1.8
369.19214	23.2
387.20346	26.0
429.21506	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83300	0.9
59.01378	100.0
71.01380	1.1
78.27002	1.0
82.34946	0.8
85.02930	1.4
87.00890	1.8
89.54901	0.9
92.19357	1.1
96.01383	1.0
97.58956	0.9
101.24998	0.9
148.12164	1.2
199.04066	1.3
244.45834	1.1
374.12134	1.1
376.64120	1.0
395.48627	1.0
429.11472	1.2
429.20789	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Dendroside F
Peak:m/z	Relative Intensity
53.96160	4.5
59.01376	100.0
61.42516	4.7
71.01370	30.2
73.02933	30.7
85.02950	10.5
89.02438	6.2
92.19404	8.2
95.75993	4.9
101.02431	33.3
113.02451	6.5
132.91872	5.1
137.02292	5.4
161.04451	5.0
205.15407	5.2
229.45676	5.6
238.05963	5.6
249.14894	9.3
291.13153	6.0
315.19604	30.8
325.61627	5.8
343.21097	9.3
352.03891	5.7
387.23740	6.1
429.20810	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
71.01374	6.3
73.02938	4.6
85.02973	2.1
85.84566	1.0
89.02420	4.8
101.02432	3.8
104.20396	1.1
105.24282	1.1
113.02418	3.9
119.03422	0.8
132.27388	0.8
143.93271	0.8
151.60004	0.9
189.12910	3.5
201.51598	1.1
207.13863	1.7
207.94939	0.9
219.72772	0.9
225.14998	1.9
369.19110	6.3
387.20319	6.7
390.63263	1.1
429.21338	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60117	0.6
56.03017	0.6
59.01369	0.8
85.77630	0.6
87.00859	100.0
90.49529	0.7
91.80135	0.7
117.27320	0.6
129.13316	0.6
142.33127	0.8
160.10918	0.6
163.14647	0.6
341.10815	3.2
429.12589	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	429.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28801	0.4
57.37643	0.4
59.01383	0.8
63.84511	0.6
74.34035	0.6
76.06092	0.6
87.00861	100.0
98.83427	0.5
157.70163	0.5
268.36734	0.5
270.39633	0.5
429.12650	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	429.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34519	1.4
62.04693	1.4
63.48202	1.6
76.06609	1.4
84.93884	3.5
86.40636	1.6
92.19317	3.9
99.92570	31.8
100.90442	2.4
100.93352	41.3
115.92063	38.3
116.92833	100.0
139.11287	2.1
179.91388	1.7
233.59023	2.0
241.02449	1.7
268.85971	1.6
293.04785	9.7
375.12592	13.9
393.13660	24.4
407.11566	2.4
411.14655	2.8
429.15845	61.1
446.82666	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	429.1192
Annotation	Kaplanin
Peak:m/z	Relative Intensity
51.22344	4.5
59.01392	8.7
60.97156	5.5
72.91695	4.6
83.64719	4.7
91.54592	4.9
92.19975	10.8
94.32257	5.3
119.29302	5.1
126.59585	5.5
197.22844	6.1
239.07187	6.6
249.05579	11.9
251.07182	9.1
256.05142	5.2
267.06516	21.1
277.05081	26.6
279.06610	28.7
280.07376	6.2
294.05328	19.7
294.08984	9.9
295.06131	100.0
309.07700	10.0
310.08475	10.7
325.10815	36.6
369.09708	57.7
429.11844	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	429.1189
Annotation	Isoononin
Peak:m/z	Relative Intensity
57.03463	0.5
59.01378	51.2
71.01374	8.2
73.02940	5.7
73.03706	0.6
73.23962	0.6
78.19357	0.6
83.01385	0.8
83.06673	0.6
85.02952	4.2
87.00916	0.8
89.02428	4.9
101.02419	6.0
113.02436	9.0
117.03448	3.7
119.03522	1.1
119.05111	0.7
120.99618	0.6
135.02705	2.2
147.04437	2.4
149.02423	2.9
152.08403	1.5
153.09180	1.1
156.67960	0.6
161.04504	1.2
163.11151	0.9
237.05539	0.9
238.06392	1.0
246.26530	0.6
265.05087	0.9
266.02875	1.4
266.05841	84.6
267.06619	100.0
369.19135	11.3
387.20209	4.6
429.11966	42.3
429.20926	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	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65158	0.8
59.01380	8.6
63.72756	0.9
70.39919	0.8
71.01376	3.8
72.99277	1.6
73.02933	2.3
85.02908	1.7
87.00874	1.1
89.02446	1.3
93.03439	3.9
101.02463	1.4
107.05004	13.9
109.93221	1.0
113.02438	2.0
116.00476	0.9
119.03693	1.0
119.04992	32.8
123.12259	1.0
135.04506	25.7
137.02402	5.5
137.06044	5.0
163.03984	27.3
181.01480	4.0
181.05046	100.0
196.60201	1.1
221.10493	0.9
343.10129	2.0
345.90167	1.1
385.07474	5.8
385.11539	45.4
453.58273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35812	1.2
59.01367	6.5
62.25563	1.2
113.74786	1.5
130.08707	17.8
137.54686	1.5
140.55963	1.3
166.12334	6.6
201.10347	2.8
210.11311	5.8
211.12093	1.8
216.35214	1.6
413.23224	82.5
428.25549	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	428.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22397	1.4
59.01377	1.8
60.50597	1.4
60.67026	1.3
65.65477	1.4
72.65007	1.4
84.59954	1.8
114.80921	1.4
130.08720	16.5
139.96404	1.5
166.12393	3.1
179.50763	1.6
192.17642	1.7
201.10385	2.8
210.11287	2.2
211.12160	6.9
227.11887	2.2
252.22961	1.5
275.44174	1.6
413.23251	68.1
428.20496	5.4
428.25540	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	429.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08979	1.9
59.01380	28.3
60.29063	1.8
63.85715	2.3
87.00867	3.0
90.27921	2.0
93.03447	2.6
95.01333	2.6
96.95987	9.8
110.94432	2.3
118.74428	2.3
119.05007	100.0
123.00877	2.5
128.03545	2.3
135.04488	15.2
136.04018	2.3
151.04001	4.0
155.03500	7.9
160.11449	2.2
163.02646	3.9
163.03987	65.6
178.08778	2.7
181.05046	73.5
183.03017	4.4
190.06393	13.0
205.08667	9.4
211.02454	4.5
223.07765	11.7
249.07564	2.2
249.09784	2.5
261.23782	2.2
266.10388	2.8
267.10675	4.3
325.09247	4.4
343.10321	20.2
385.11389	47.9
429.13379	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	428.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53231	1.5
59.13081	1.1
67.39967	1.5
84.04532	38.2
93.03427	8.8
96.95992	10.1
98.02497	1.9
100.07622	2.0
102.05602	16.4
118.02965	2.8
121.02924	43.3
126.05558	12.4
128.03526	21.4
135.04468	1.7
135.98347	1.9
136.04031	24.8
137.02443	23.9
146.04594	3.6
162.05528	2.6
163.03989	21.0
178.08722	14.2
180.06729	2.1
204.06606	10.8
213.02225	1.9
222.07727	24.2
222.11211	2.7
240.25859	1.7
248.09251	43.1
266.06717	25.3
266.10309	100.0
428.11444	32.4
428.16663	59.4
453.04379	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	428.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96442	0.8
82.02961	7.9
85.02943	5.4
100.00980	0.7
100.04043	14.0
101.02409	5.1
119.05002	14.6
128.03526	69.3
129.01921	32.3
136.07671	13.7
146.04591	3.3
220.09789	25.2
248.09274	55.3
266.10333	24.2
308.07791	1.2
428.15616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89536	0.8
59.01377	100.0
63.48726	0.9
91.84833	1.2
284.81995	1.1
291.47116	1.1
324.45435	1.1
399.20206	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44183	11.6
57.47258	10.8
59.01371	100.0
92.20002	28.6
121.44331	12.3
124.01788	13.2
287.19925	16.5
436.14697	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	428.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26357	1.2
68.91632	1.4
84.04533	12.5
86.15856	1.6
88.03970	2.0
93.03448	17.6
96.95992	14.0
102.05595	12.6
118.02957	7.0
121.02891	10.2
123.87701	1.9
128.03526	46.3
136.04037	52.0
137.01482	2.4
137.02444	58.7
146.04579	12.9
150.05545	2.7
160.07643	6.7
162.05525	6.1
163.03946	7.6
178.08730	37.0
200.07356	1.5
204.06662	30.4
222.07693	54.0
222.49643	1.6
248.09122	10.1
266.04108	2.6
266.06573	51.6
266.10184	27.5
378.19400	1.7
416.56073	1.6
428.11707	100.0
440.27902	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09049	1.7
56.04735	2.2
58.08759	1.8
59.01379	100.0
60.94503	2.0
71.01373	10.9
71.70232	2.1
93.41881	1.8
106.91370	2.4
181.12361	4.7
291.19412	2.2
293.21329	27.8
311.22333	74.6
326.37213	2.3
394.48480	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01085	3.9
59.01378	100.0
75.26293	1.6
80.37730	1.7
100.22619	2.3
105.51535	2.0
218.79495	1.8
293.21344	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50357	1.0
59.01380	100.0
66.37440	1.2
90.64944	1.3
101.41933	1.3
122.32003	1.3
160.76755	1.2
288.75931	1.4
293.21228	7.5
296.63571	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35584	2.6
58.31396	3.2
59.01086	3.7
59.01379	100.0
59.38566	2.5
61.83040	3.0
64.03858	2.8
71.36638	2.7
82.87561	2.8
88.44521	3.2
135.45360	2.8
140.68958	3.4
230.04718	3.2
276.12296	4.0
280.35361	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	427.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39679	2.4
59.01380	54.0
61.22254	2.3
71.01369	16.0
72.12701	2.5
72.99284	6.4
82.93572	2.4
92.19964	3.2
127.33734	2.4
155.10764	4.6
177.28265	2.8
181.12331	15.7
191.66545	2.9
197.11871	3.3
228.13722	3.5
293.21286	13.7
311.18710	4.1
311.22287	100.0
353.23328	4.2
427.23157	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15347	0.7
59.01378	100.0
60.30581	0.8
62.62084	0.8
66.72828	0.8
67.98386	0.8
72.57682	0.7
73.34644	0.8
74.62873	0.8
105.97763	0.9
244.21092	0.8
254.18465	0.9
260.25653	0.9
293.21283	8.3
351.46884	1.0
367.24915	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	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	75.1
71.01369	57.2
73.02934	9.3
76.57041	4.0
78.86113	3.5
85.02932	23.9
89.02431	38.4
93.23748	3.5
99.00891	5.0
101.02435	45.5
113.02404	25.1
119.03532	4.8
123.46159	4.3
161.04533	7.2
341.72287	4.3
365.19794	24.8
385.21585	4.2
427.19711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69925	1.4
54.55195	1.2
59.01378	100.0
64.96765	1.4
71.01371	25.0
73.02935	46.7
83.01373	8.3
85.02942	8.9
87.00867	6.5
89.02431	16.9
95.01398	1.8
101.02429	41.2
113.02428	15.6
119.03478	2.1
123.81668	1.6
131.03400	1.7
134.14334	1.3
144.75783	1.6
149.04533	3.0
153.29588	1.6
161.04558	12.3
161.09711	2.9
176.08383	3.5
179.05614	2.1
187.11285	22.6
190.09947	6.3
203.10719	2.8
204.11566	2.7
205.12326	32.3
215.10806	2.6
233.11816	20.9
259.13245	6.5
277.14575	5.7
325.24744	1.6
326.43527	1.7
409.18939	1.8
427.19821	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	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03003	1.0
59.01376	100.0
61.19896	1.1
69.03437	1.5
71.01373	14.2
72.99290	1.3
73.02935	5.3
75.25220	1.1
75.87382	1.1
85.02928	6.5
87.00854	1.8
89.02415	11.8
93.03416	5.8
95.01373	1.8
101.02412	6.6
113.02436	9.9
119.03471	2.6
137.02422	9.5
152.08406	9.9
153.09201	21.5
161.04422	1.7
163.11255	11.6
174.01704	1.5
205.12341	12.0
223.13368	2.1
247.13329	5.5
307.08249	1.4
343.63989	1.2
359.24799	1.3
367.17548	24.1
385.18661	2.5
427.12411	8.2
427.20209	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42497	0.9
59.01377	100.0
71.01374	19.7
73.02936	45.5
83.01393	8.3
85.02948	3.9
89.02448	8.1
92.19367	2.8
101.02435	29.3
113.02425	12.8
119.03471	4.1
131.03459	2.3
143.03491	1.3
149.04482	1.1
153.09239	1.4
155.02147	0.9
161.04507	9.2
165.09186	3.8
178.76477	1.0
180.98599	1.0
203.05583	1.3
221.06674	1.6
223.13324	1.2
322.40631	0.9
385.18832	1.5
427.19083	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	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	93.2
66.57330	2.5
71.01362	14.6
73.02930	21.2
81.47331	3.0
89.02430	3.9
92.19308	3.5
96.12087	2.5
97.20576	2.6
101.02415	14.2
109.68727	2.7
113.02470	4.3
119.03444	3.5
124.77934	2.7
138.06871	6.3
151.07611	15.2
152.08441	27.7
153.09198	100.0
161.04425	2.9
205.12332	32.9
223.13350	6.9
280.56036	3.1
297.45148	2.7
367.17636	13.4
381.28323	3.4
385.18686	3.3
427.19833	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58751	0.9
59.01379	100.0
61.28063	1.0
64.25808	1.1
71.01365	7.4
73.02929	1.3
78.55190	1.0
85.02950	6.0
88.22425	1.0
92.19935	1.6
101.02410	2.5
113.02434	7.3
122.29269	1.3
128.25436	1.0
151.07658	1.4
152.08412	8.7
153.09192	21.1
156.82903	1.0
161.04550	1.8
166.01494	1.0
205.12311	13.6
223.13489	2.0
230.83316	1.0
266.06503	1.1
367.17612	19.4
385.18845	1.6
427.19836	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	427.1609
Annotation	Spicatocadinanolide A
Peak:m/z	Relative Intensity
59.01378	100.0
71.01374	28.6
73.02946	25.2
75.00861	3.3
79.91941	1.7
83.01373	8.2
85.02929	10.0
89.02437	27.3
97.02933	2.0
99.00874	2.6
101.02432	34.5
112.96551	1.6
113.02421	16.6
115.92075	2.4
119.03465	8.4
120.82156	1.4
123.08117	5.9
125.02465	1.5
125.09716	2.9
127.05088	1.9
130.57715	1.6
136.76410	1.7
140.65364	1.7
143.03453	2.0
151.03992	7.8
151.07634	3.4
161.04480	6.7
169.08801	1.7
189.05576	1.7
190.06340	6.5
203.14464	1.7
205.08676	38.3
205.12303	1.8
213.07645	11.5
223.09688	3.3
265.10641	2.2
367.13971	12.6
369.61691	1.7
385.14975	38.4
427.15268	13.2
427.20859	4.3
427.25049	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	427.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	43.7
63.96221	4.0
68.60094	0.9
71.01363	9.4
72.99287	5.1
73.02927	1.0
73.98283	0.8
74.99084	48.3
75.11938	0.7
75.79893	0.8
80.98502	0.8
81.59718	0.7
83.01408	0.9
83.26102	0.8
84.22696	0.7
85.02927	1.9
87.00863	11.2
89.02428	21.4
93.03433	7.6
101.02425	14.1
104.17879	0.8
113.02444	6.7
117.97285	1.9
119.03490	6.4
135.98346	11.7
136.99123	30.8
137.02431	11.6
141.07434	2.0
142.98630	0.9
227.35518	0.9
393.85931	1.1
427.16339	100.0
444.00653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99594	0.5
56.06846	0.5
62.25288	0.5
64.19453	0.5
78.95896	36.2
79.95749	0.5
96.95989	32.2
96.96941	100.0
121.41179	0.6
167.03450	0.8
183.05994	0.6
184.84676	0.7
200.93765	0.6
355.42438	0.6
375.93005	0.6
400.96799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90871	1.3
59.01375	33.2
69.03443	4.8
71.01369	7.0
73.02913	1.1
83.01359	1.6
85.02923	4.6
87.00835	1.9
89.02428	7.1
96.99281	1.5
97.02956	1.1
101.02434	5.3
105.10534	1.0
110.20939	1.2
111.00898	1.3
113.02441	4.4
113.99525	2.1
115.00340	6.9
123.04457	1.6
123.10998	1.3
130.01408	1.1
141.01920	9.9
153.09247	1.8
163.11244	8.9
167.03487	1.7
170.80626	1.1
174.00246	2.2
174.01675	37.3
175.02573	1.8
178.06277	1.2
179.05521	1.2
180.04289	1.2
183.00754	1.2
185.09349	4.4
201.04015	8.7
203.10373	5.3
205.12303	2.0
247.13441	7.0
250.65982	1.2
257.91101	1.3
262.04910	1.3
277.07254	2.3
279.08759	1.8
307.08234	20.7
349.09540	2.0
367.10358	7.1
367.17670	1.2
381.32333	1.2
427.12457	100.0
427.20404	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	427.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07769	0.3
59.01420	0.5
63.85965	0.4
67.91515	0.4
78.95898	34.6
82.99953	0.6
89.40729	0.5
95.50905	0.4
96.96948	100.0
133.13091	0.4
157.63100	0.4
202.72195	0.4
204.99007	0.4
242.21573	0.5
245.01750	0.4
250.19759	0.4
258.07153	0.4
264.05252	0.5
279.94699	0.5
357.71686	0.5
427.14664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49583	1.5
56.49477	1.4
59.01379	100.0
62.54699	1.3
69.11304	1.4
86.30369	1.4
93.27590	1.4
96.01675	1.5
169.03851	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	426.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31163	7.2
70.65801	7.3
90.18508	8.1
96.36115	10.1
200.28566	8.2
330.69958	9.9
342.94498	21.2
380.66788	9.3
426.03015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59027	3.4
56.51104	3.3
59.01378	25.3
66.17494	3.1
67.02529	3.0
71.01362	8.1
73.02943	15.3
75.00849	5.2
101.02436	14.7
101.51936	3.0
117.01964	3.9
118.66932	3.7
124.52078	3.3
133.02954	4.9
142.70079	4.6
145.02940	8.0
161.02467	8.0
163.00414	27.3
163.04048	4.8
164.01112	8.6
165.01930	7.9
167.03380	3.2
170.11800	4.6
173.02431	5.9
177.01906	35.2
179.03539	5.5
189.01920	37.6
190.99863	51.5
191.03514	16.1
192.00648	6.8
193.01373	5.0
195.02968	28.4
201.01938	4.3
202.99873	6.6
205.01413	50.1
205.12384	6.7
206.02264	4.8
207.03026	8.4
209.04617	5.3
217.01402	15.5
219.02916	7.3
221.00966	13.8
221.04572	7.3
222.01747	4.9
223.02513	96.2
225.04068	6.1
233.00951	19.5
235.02344	7.6
237.04045	30.8
249.00359	15.8
249.04042	8.7
251.01949	60.5
253.03448	4.9
261.00360	18.2
263.01959	17.2
264.02789	3.8
265.03479	32.3
276.99850	23.6
277.03110	11.5
279.01483	42.2
279.04596	4.5
281.02759	5.1
283.04593	6.1
291.01556	5.5
293.02942	8.3
295.04727	6.8
304.99359	4.9
323.04095	61.4
351.03528	14.0
365.01419	51.2
395.02551	53.3
397.04135	100.0
427.05148	61.8
439.16650	4.3
445.78162	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	425.2187
Annotation	Macrocalyxin G
Peak:m/z	Relative Intensity
50.12749	1.5
50.72538	1.7
56.88208	1.7
85.10667	1.8
92.19314	2.8
109.00333	1.8
123.92101	1.7
168.96281	2.0
206.09505	3.3
220.14671	100.0
221.15442	4.5
272.50864	2.4
421.08929	2.4
425.21796	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	425.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76547	19.9
56.29886	19.8
56.30891	20.7
59.01365	100.0
70.37390	18.0
86.33880	20.1
152.99582	40.6
156.40181	22.9
187.84480	22.1
192.64116	27.4
226.70117	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	425.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46542	3.9
57.40971	4.4
57.47172	4.6
59.01377	100.0
73.42567	4.8
82.13145	5.1
99.92578	6.5
103.14399	5.1
103.20757	5.2
109.31492	4.7
116.92880	6.7
167.47716	4.7
283.97235	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	425.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31544	0.8
53.65568	0.8
54.83621	0.8
59.01373	19.7
71.01374	8.1
81.10671	0.9
85.02930	1.2
89.02432	15.8
95.01360	0.8
101.02419	3.7
104.37350	0.9
113.02411	4.4
113.35075	0.9
119.03488	1.5
147.53607	0.9
159.08081	1.1
159.11794	6.0
171.08118	1.1
179.05574	1.9
183.11743	3.6
183.15439	0.9
184.08856	1.0
185.09552	1.3
186.10506	8.4
199.11253	1.9
201.12854	100.0
202.91353	1.0
425.18060	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79737	2.4
53.90586	2.2
55.01866	4.0
59.01376	74.2
59.40780	2.7
71.01371	73.5
73.02924	20.3
83.01376	11.3
83.25429	2.6
85.02947	22.6
87.00849	5.5
87.56512	2.4
89.02429	52.0
89.74066	2.5
96.95999	15.2
99.00881	3.5
101.02429	71.7
113.02430	42.7
119.03468	16.0
125.02386	3.3
131.03476	12.7
133.41547	2.2
143.03404	3.3
145.58798	2.8
157.22845	2.5
159.02937	3.4
161.04501	25.8
179.05659	20.0
221.06619	27.3
236.57188	2.8
263.07697	18.2
263.11246	11.1
393.62534	2.4
425.05582	2.8
425.10873	4.4
425.16663	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	425.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32115	2.5
59.01376	100.0
61.98349	2.5
64.18344	3.1
67.60886	2.4
68.10646	2.7
71.01372	64.0
73.02938	31.0
77.66471	3.2
79.15936	2.9
83.01385	11.1
85.02946	38.2
87.00854	4.3
89.02414	16.6
89.51300	2.9
99.00849	12.0
101.02427	75.8
109.59663	3.5
112.05487	3.3
113.02422	36.5
124.89971	2.9
125.02428	5.0
159.02977	5.3
161.04509	25.8
177.41499	3.2
221.10321	16.9
377.20523	2.9
379.00583	3.0
383.15558	50.3
425.16611	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32115	2.5
59.01376	100.0
61.98349	2.5
64.18344	3.1
67.60886	2.4
68.10646	2.7
71.01372	64.0
73.02938	31.0
77.66471	3.2
79.15936	2.9
83.01385	11.1
85.02946	38.2
87.00854	4.3
89.02414	16.6
89.51300	2.9
99.00849	12.0
101.02427	75.8
109.59663	3.5
112.05487	3.3
113.02422	36.5
124.89971	2.9
125.02428	5.0
159.02977	5.3
161.04509	25.8
177.41499	3.2
221.10321	16.9
377.20523	2.9
379.00583	3.0
383.15558	50.3
425.16611	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14278	3.3
51.34294	3.5
59.01382	6.3
61.98833	100.0
141.63869	3.6
240.47675	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92400	0.5
53.08973	0.8
62.70029	0.6
71.01340	0.9
72.00899	8.2
80.57248	0.7
87.48719	0.7
94.95175	0.8
100.00396	100.0
100.04040	5.9
105.60310	0.8
144.03021	54.1
192.83144	0.7
201.48280	0.9
212.03044	0.9
220.20421	0.7
262.75510	0.8
425.14420	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	424.1882
Annotation	(+)-Cyclotryprostatin B
Peak:m/z	Relative Intensity
52.72184	0.8
59.01368	3.9
61.98816	1.7
65.09029	1.0
71.02502	2.0
74.02452	2.2
76.01508	0.9
93.03443	4.0
95.50446	0.9
96.41112	0.9
96.95996	13.0
98.01175	1.6
99.04486	1.4
107.04998	1.1
111.01942	1.6
113.07195	6.3
119.05009	5.3
125.07350	1.0
134.06114	15.7
136.07716	1.8
146.06113	14.4
160.07692	4.1
163.04005	3.9
167.86354	1.1
172.04111	1.0
172.07735	1.0
180.06651	13.0
189.06693	18.4
191.08267	4.5
216.33897	1.0
218.06958	6.1
220.35034	0.8
223.86833	0.9
243.11412	9.1
264.10391	1.0
266.11868	22.8
299.89008	1.1
306.15012	1.6
400.70786	1.0
424.18854	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	424.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50053	8.4
54.86354	8.4
61.98416	9.0
63.12411	8.1
65.26177	8.5
68.35213	9.3
81.70495	9.5
99.92576	16.6
118.89972	100.0
199.05617	11.0
206.73206	9.9
303.83130	12.4
424.14850	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.95996	0.4
120.50583	0.4
134.67828	0.6
180.04263	0.5
188.07292	0.7
202.05124	2.3
223.76393	0.5
230.08208	54.7
261.10153	0.6
262.10834	100.0
267.93561	0.5
405.07880	0.5
415.03967	0.5
424.16211	24.3
432.82703	0.6
436.04297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11013	1.7
59.01373	8.3
71.01375	10.0
73.02936	8.6
73.78912	1.7
83.01384	3.8
85.02941	9.6
99.00850	2.4
101.02433	35.5
113.02425	7.5
113.49524	1.8
130.06586	10.8
135.04539	2.3
156.08142	11.9
172.07655	26.4
172.89259	2.0
200.07170	43.3
230.41064	2.6
292.11899	12.5
364.10413	10.5
424.12537	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	424.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08439	2.3
52.06802	2.4
52.53080	2.6
59.01369	2.3
66.88022	2.3
73.88844	2.3
78.03754	2.7
84.85575	2.2
87.00853	19.7
89.49707	2.9
121.94630	2.6
129.05820	14.7
130.99872	20.4
140.65297	2.9
143.45831	3.3
148.05336	4.2
154.06642	2.9
156.08177	11.9
200.07196	4.9
201.04410	4.3
217.44247	3.4
218.08246	2.9
260.07663	2.7
276.10001	3.6
277.11078	10.5
292.13495	5.3
424.14035	100.0
444.36996	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	424.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44869	1.2
53.70274	1.4
59.01381	17.6
60.34726	1.4
70.43716	1.3
71.01389	16.1
73.02953	8.7
75.16386	1.2
79.14951	1.3
81.46980	1.5
83.01364	3.1
84.29075	1.4
85.02946	12.5
86.00136	1.3
87.00879	23.1
89.02432	8.8
89.76278	1.5
91.39465	1.4
91.90582	1.4
95.38335	1.4
99.00852	5.6
101.02429	32.2
110.02450	2.2
111.00888	7.0
111.72982	1.3
112.04029	8.1
113.02448	10.4
130.08743	1.8
172.38634	1.5
179.58589	1.5
182.08231	9.8
184.09738	2.5
184.61774	1.4
196.15198	1.5
226.10838	8.5
259.00577	1.4
344.13461	16.1
346.11334	11.4
354.72604	1.8
362.14700	1.7
364.12534	3.0
406.13962	2.4
424.14645	100.0
445.89728	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36218	0.7
56.38491	0.7
59.01379	100.0
60.66795	0.6
62.12110	0.7
63.60703	0.6
73.02947	1.0
96.96014	1.0
101.02428	0.8
107.06564	0.7
220.77019	0.8
230.12749	0.8
344.29431	1.1
363.20355	1.6
423.22733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03579	0.5
58.40931	0.5
59.01379	100.0
59.64199	0.5
71.01367	2.2
78.90613	0.7
83.75254	0.6
85.02924	0.6
85.82862	0.7
87.00870	0.7
92.20069	1.3
94.98013	0.5
101.02397	1.2
122.89397	0.6
126.15849	0.6
153.76921	0.6
157.76233	0.6
189.12810	1.5
195.51895	0.7
201.12761	1.1
219.13896	9.2
321.19101	0.7
363.20227	4.0
423.21829	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	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
56.14088	2.4
57.03460	2.6
59.01376	29.4
67.29782	2.2
71.01367	51.8
73.02937	19.6
81.62159	2.4
83.01388	11.7
85.02928	36.0
87.00902	3.0
89.02424	6.1
95.57015	2.5
97.02941	3.3
99.00855	10.8
99.07353	2.3
101.02422	64.5
113.02403	26.8
137.87880	2.4
148.81190	2.4
151.47722	2.5
159.02945	3.2
161.04565	10.3
199.28230	2.6
227.94014	3.1
291.18130	100.0
315.21118	3.4
423.22357	58.6
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
51.60406	1.3
57.03453	1.9
59.01370	20.1
71.01373	15.2
72.04620	1.3
73.02934	3.3
82.10836	1.4
85.00697	1.4
85.02937	8.0
89.02428	9.0
91.69804	1.5
92.19931	2.2
101.02419	17.6
105.86762	1.4
113.02418	3.5
113.45734	1.6
117.15340	1.6
119.09977	1.5
135.08127	2.6
160.08917	9.4
161.09703	3.3
163.07614	1.9
163.09209	1.7
177.12828	11.7
179.40283	1.7
189.12851	43.0
191.14442	2.1
201.12907	14.6
204.11571	10.0
219.13889	100.0
291.18066	6.2
423.22189	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	423.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94463	1.9
57.03453	4.0
59.01375	18.9
69.63852	2.1
71.01379	4.0
73.02940	2.7
78.14153	2.1
80.14595	2.4
83.89719	2.3
91.65058	2.3
101.02428	4.2
135.08105	2.4
137.09712	4.2
143.29234	2.7
160.08894	9.6
177.12859	9.6
189.12837	38.0
201.12802	14.9
204.11536	4.2
219.13875	100.0
254.23508	2.3
265.62970	2.6
422.72226	2.4
423.05966	4.0
423.22589	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	423.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94463	1.9
57.03453	4.0
59.01375	18.9
69.63852	2.1
71.01379	4.0
73.02940	2.7
78.14153	2.1
80.14595	2.4
83.89719	2.3
91.65058	2.3
101.02428	4.2
135.08105	2.4
137.09712	4.2
143.29234	2.7
160.08894	9.6
177.12859	9.6
189.12837	38.0
201.12802	14.9
204.11536	4.2
219.13875	100.0
254.23508	2.3
265.62970	2.6
422.72226	2.4
423.05966	4.0
423.22589	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	423.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22523	1.6
57.03182	3.7
57.03448	85.5
57.03735	2.9
59.01378	40.2
64.34562	1.9
65.07700	1.5
69.39278	2.1
81.88443	1.7
92.19261	3.5
99.04502	100.0
101.02435	18.7
112.37744	2.0
119.05021	8.3
125.02408	23.3
135.06606	7.9
161.04590	20.3
163.04059	4.2
164.04726	2.3
181.05061	2.1
195.84001	1.7
199.00648	1.9
279.10858	43.0
321.11884	2.5
337.14328	1.9
423.05933	9.9
423.14902	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47946	1.9
57.03447	84.2
59.01380	48.4
71.01376	2.5
74.55367	2.1
75.00854	3.4
76.13464	1.8
79.89638	1.8
80.91671	10.6
89.02415	2.6
91.74638	1.7
96.96008	2.0
99.04503	100.0
101.02406	21.0
106.52351	1.8
109.29628	2.6
119.04990	4.1
125.02429	23.7
135.04533	3.8
135.06642	9.8
161.04573	16.7
163.03978	4.4
163.45303	1.8
199.00676	4.4
215.00208	3.6
242.94859	4.4
279.10843	42.3
321.11716	4.5
423.00998	3.1
423.05930	10.9
423.14807	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1298
Annotation	Ginkgolide B
Peak:m/z	Relative Intensity
51.00270	1.6
52.77089	1.6
54.78850	1.6
62.86460	1.8
65.73949	2.0
69.03450	2.2
72.99310	21.4
75.84782	2.1
97.02927	8.0
104.13543	2.1
113.02438	82.4
125.02428	84.4
125.03348	3.5
141.01894	4.8
141.80449	2.3
175.08275	2.2
179.10745	3.2
232.10986	3.9
237.08084	2.2
254.73195	2.0
261.15033	3.4
333.00381	2.3
349.12729	4.1
367.13956	100.0
384.85233	2.2
395.13388	8.5
423.12741	23.6
423.21799	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	423.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01366	8.8
70.90272	1.2
71.01381	2.9
73.02932	2.4
82.04207	1.3
89.02431	2.2
96.95988	10.5
101.02435	6.2
113.02441	2.1
119.04987	4.6
121.02980	10.1
123.00878	2.5
123.08195	1.3
137.02426	2.8
137.06058	1.6
138.03223	10.1
139.03993	1.8
153.05579	11.6
155.43906	1.2
163.04024	5.5
165.00766	1.3
165.01909	66.0
166.99808	8.7
179.03458	13.9
180.04280	100.0
181.05049	2.9
182.02203	44.4
184.14317	1.2
194.05811	7.0
195.02982	2.7
195.06621	88.1
197.04546	63.7
199.00620	1.7
210.05312	20.7
225.05547	2.4
225.07684	51.2
225.09891	1.9
247.21454	1.5
261.17117	2.8
301.06973	1.5
351.49960	1.4
375.10889	6.3
379.16248	2.7
423.06009	9.5
423.12894	15.2
423.17584	3.5
423.22134	26.7
433.43839	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	423.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54228	0.8
59.01383	7.1
63.92787	1.0
71.01370	4.4
76.06380	1.0
79.95729	5.6
80.96496	1.0
86.33031	0.8
87.00855	1.8
89.02422	5.6
99.04494	3.7
101.02417	4.9
119.05000	58.0
126.13899	0.9
127.34558	0.9
135.04482	5.6
163.03996	50.6
181.05052	18.0
199.00711	45.6
214.98245	1.6
215.00208	27.9
223.06024	1.0
242.99673	1.7
261.00656	15.0
323.09821	1.7
343.10275	6.0
381.90402	1.0
419.37375	1.1
423.06033	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	423.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05907	0.7
59.01377	4.8
68.01585	0.8
71.01373	3.4
79.95730	4.9
85.02912	1.0
87.00860	1.2
89.02448	4.9
96.95992	24.0
101.02464	3.2
103.70154	0.9
111.04580	0.9
119.05003	59.1
119.05862	2.0
123.96915	0.9
135.04489	2.0
143.27808	0.9
145.01341	0.9
151.04024	0.8
160.40540	0.8
161.02400	1.0
163.04005	49.3
181.05064	17.6
199.00716	39.2
215.00183	26.7
216.99809	1.0
242.99696	1.3
261.00769	12.4
276.11511	1.0
343.10464	6.1
423.06049	100.0
426.81378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37996	1.1
59.01379	20.2
62.97327	1.3
64.03576	1.2
71.01379	2.5
79.95738	6.6
85.02955	2.8
87.00851	6.2
89.02441	9.2
96.96013	10.7
99.04483	7.4
101.02425	6.5
109.43044	1.5
113.02410	2.6
115.86600	1.3
119.03506	1.3
119.04179	2.4
119.05006	56.0
124.01675	1.9
135.04520	6.8
139.03983	7.1
149.44618	1.5
163.04007	53.8
181.05070	18.1
181.87801	1.3
199.00682	42.0
215.00174	28.8
223.56433	1.2
261.00720	11.2
280.78094	1.3
323.09656	6.4
343.10236	6.8
421.34195	1.6
423.06030	100.0
423.18210	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	423.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08485	1.0
54.74822	0.9
58.20200	0.9
59.01365	4.8
61.73371	1.1
79.03986	0.9
79.95722	6.0
80.91702	1.2
82.37872	1.0
87.00855	16.0
88.40933	1.0
89.02428	4.3
93.03429	1.7
99.65227	1.0
101.02431	2.2
102.21229	1.0
113.02413	1.8
119.05000	56.6
121.13545	1.0
135.04514	6.0
141.00443	1.6
146.49350	1.2
163.03989	52.1
181.05045	18.2
199.00700	43.1
214.98260	1.5
215.00204	26.7
215.95494	1.3
243.05141	10.7
261.00690	13.7
261.19080	1.1
343.10233	4.5
423.06000	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	423.06
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73353	1.0
59.01386	7.6
60.56197	0.9
78.95898	25.1
79.95737	1.2
80.02172	0.9
89.02418	2.4
96.95993	100.0
96.96943	75.1
101.02427	2.2
119.05008	46.8
154.61876	1.3
163.04021	23.1
181.05066	1.3
199.00705	1.8
215.00252	2.0
235.02956	2.1
270.45105	1.0
292.84082	0.9
325.09290	23.7
423.06097	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	422.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70650	0.8
62.27237	0.8
84.13847	1.3
120.68803	1.0
132.99696	1.0
162.10440	1.8
163.11272	100.0
195.55054	1.0
222.32994	0.9
246.18620	77.0
287.73798	1.1
422.30679	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93768	1.2
55.42594	1.4
60.60176	1.4
62.46756	1.3
113.29525	1.6
131.12627	1.4
163.11273	100.0
170.60732	1.5
173.23653	1.5
246.16081	3.2
246.18613	81.9
313.05392	1.7
422.30652	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3067
Annotation	Radarin B
Peak:m/z	Relative Intensity
50.56559	1.6
55.79115	1.6
61.76117	1.8
68.30032	1.8
71.25745	2.2
75.63246	2.3
76.35250	2.1
77.46319	2.1
83.49777	2.1
104.00449	1.9
163.11269	100.0
246.18631	65.3
361.43292	2.3
422.30658	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46950	0.9
54.16405	1.0
54.72389	0.9
59.01374	20.0
59.37654	0.9
71.01375	35.9
71.05009	2.7
73.02927	6.7
79.31599	1.1
85.02920	2.2
88.04020	4.8
89.02422	5.0
91.38491	1.0
101.02422	10.8
113.02412	4.6
124.94347	1.0
128.07161	2.3
146.08214	91.0
188.09219	1.2
290.12427	4.7
308.13605	10.8
362.14462	1.3
380.15637	6.1
422.16699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	86.2
98.08514	67.4
99.98207	77.9
106.66103	70.9
361.19955	100.0
426.86475	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
76.47110	0.9
85.93096	0.9
91.03996	1.8
110.56342	1.0
162.48393	0.9
179.03941	0.9
214.77509	1.2
227.20163	4.5
390.23279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	76.8
69.19662	3.0
71.01370	15.8
73.02934	4.2
83.01408	3.9
85.02934	15.1
87.00842	5.5
96.17889	3.2
101.02416	23.5
113.02422	12.7
126.40677	3.8
129.01898	3.3
144.85744	3.2
196.07472	5.1
211.09686	3.6
325.37994	3.5
402.89395	3.6
421.24527	100.0
429.73465	3.6
440.35538	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	421.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82030	1.2
54.50502	1.2
59.01377	100.0
66.24557	1.5
72.46265	1.3
87.67751	1.6
88.87861	1.5
91.03990	2.2
104.29493	1.5
114.21528	1.5
168.64223	1.9
227.20137	15.7
287.22433	2.0
383.65060	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	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12278	58.5
50.66933	72.4
56.13226	71.7
63.17378	72.1
105.42488	76.8
191.32997	91.7
320.73807	100.0
333.41849	93.3
388.65817	89.5
390.61664	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34686	1.4
51.52887	1.2
59.01358	8.2
67.02316	1.2
72.00895	2.4
73.02923	2.6
73.68218	1.3
80.03602	1.3
87.05626	21.8
92.19973	2.5
97.04058	2.2
101.02402	1.8
115.08749	12.3
125.50808	1.9
127.05074	8.3
135.04492	1.7
137.07172	6.2
138.05606	2.4
141.06654	3.3
144.07727	9.1
145.37636	1.2
147.04497	19.6
153.31645	1.4
154.09821	6.5
155.03815	1.4
161.02548	1.3
164.05771	1.9
164.07158	59.8
168.06686	1.8
172.10980	9.6
182.08040	1.6
191.11938	2.1
219.15065	16.4
225.13571	55.9
239.13048	1.6
245.12877	5.3
263.13928	6.0
276.17090	3.4
280.51288	1.4
341.92624	1.4
347.20990	2.2
377.21826	2.2
379.22949	1.5
391.19919	30.0
403.19760	2.3
421.15656	10.6
421.20819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76850	0.7
56.09756	0.7
59.01375	100.0
71.01379	5.7
73.02940	1.7
74.41628	0.8
78.85137	0.7
83.49072	0.7
85.02975	1.0
85.74264	0.7
89.02416	4.9
101.02438	6.7
113.02469	1.9
119.03464	1.5
161.04559	1.9
181.05043	5.4
196.07396	18.3
211.09770	15.5
276.45285	0.9
301.16653	1.3
319.17590	9.4
329.12439	0.8
361.18646	22.6
361.22983	0.8
368.89218	0.8
421.20093	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	421.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96233	0.9
56.94364	0.9
59.01375	100.0
66.87879	1.0
71.01386	2.3
73.59246	1.0
73.91122	1.3
89.02428	4.5
90.49097	1.1
101.02441	2.1
113.02425	2.5
119.03454	1.1
139.54506	1.2
194.07213	1.0
199.70538	1.1
217.35721	1.1
263.75470	1.0
361.18872	2.2
379.19818	1.3
385.91730	1.3
421.20428	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	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91881	1.1
56.10934	1.2
59.01380	100.0
73.02928	3.0
75.45581	1.2
96.34723	1.4
101.02448	1.7
103.89555	1.6
113.02435	2.6
232.11307	1.4
338.50519	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48755	3.2
54.86116	2.8
57.03436	6.8
59.01384	40.9
59.24239	3.2
63.86850	2.7
63.97411	3.4
64.34995	3.3
71.01367	90.1
73.02943	40.0
83.01379	18.3
85.02943	51.0
89.02422	15.3
92.65193	3.6
99.00851	8.1
101.02437	77.5
101.73781	3.5
107.72311	3.2
113.02459	51.2
113.63543	3.4
157.15486	3.8
159.02998	4.3
161.03358	4.0
161.04520	30.0
168.91284	3.7
199.29965	3.5
289.16629	100.0
345.70746	4.2
421.20834	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10207	0.8
59.01377	100.0
71.01369	1.1
71.79827	0.8
73.02937	1.8
74.02456	0.7
82.46812	0.8
84.51887	0.9
89.02462	1.0
101.02388	3.2
113.02410	1.5
114.82906	0.7
161.04552	1.9
183.99184	0.7
276.35406	0.8
361.18503	3.3
421.21036	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	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
58.70752	0.8
59.01376	100.0
71.01366	22.6
72.99298	1.5
73.02928	5.2
85.02937	7.2
87.00851	2.6
89.02431	10.0
97.79910	1.0
99.00872	1.5
101.02405	9.6
101.46780	0.9
111.00858	1.1
113.02428	4.0
119.03467	4.7
119.04976	1.7
125.02393	1.3
127.04273	1.1
134.76120	1.0
139.11165	1.2
149.09706	14.9
193.08669	4.2
197.11725	1.2
213.07753	1.3
215.12857	6.5
221.26805	1.0
237.07623	9.8
361.15109	2.5
377.14349	2.4
377.18173	25.9
377.22430	1.7
421.16541	10.2
421.21655	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	421.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	5.0
59.63763	2.3
61.90618	2.2
104.71426	2.1
181.05052	35.4
196.07405	100.0
196.84204	2.9
211.09760	79.5
241.89484	2.3
259.43777	2.7
275.70853	2.6
421.19647	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	421.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84045	2.6
59.01374	90.4
65.49593	3.6
71.01372	76.4
72.99301	4.5
73.02928	16.6
75.00856	7.4
83.01380	5.4
85.02954	24.5
89.02425	71.0
91.12630	3.1
99.00842	5.0
101.02423	50.9
110.28033	3.1
112.69376	3.2
113.02416	40.9
119.03476	15.6
131.03491	13.4
149.04530	13.4
161.04538	5.6
179.05629	12.8
215.15944	3.7
289.16519	31.7
322.39227	4.1
340.40057	3.2
421.21246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
57.20896	1.1
59.01375	100.0
60.42709	1.4
62.77828	1.1
70.67941	1.0
71.01369	29.2
72.99277	2.1
73.02932	5.2
74.02415	1.2
75.00867	1.5
84.96547	1.0
85.02926	6.3
89.02427	24.9
95.01357	1.2
101.02426	18.2
111.00827	1.5
111.08119	4.6
113.02433	10.1
119.03475	7.7
130.99803	1.7
139.11290	2.5
144.40517	1.3
147.42198	1.4
149.09732	10.8
155.07173	2.2
155.10733	1.4
161.04495	1.5
169.12303	1.4
171.42697	1.3
179.05521	1.4
193.08736	2.4
197.11726	1.1
199.09682	1.5
213.07632	1.4
215.12859	2.7
237.07639	2.3
289.08957	1.2
317.19687	26.8
335.20679	14.9
361.14932	2.3
377.14267	6.4
377.21680	18.7
393.69412	1.3
421.11426	2.2
421.21167	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	3.5
59.01379	100.0
65.97219	1.5
69.03436	1.8
70.49458	1.8
70.79189	1.7
71.01377	18.1
73.02930	24.8
83.01349	4.3
83.05030	2.7
85.02933	11.2
87.56958	1.7
89.02431	12.7
93.15909	1.6
95.05006	13.7
101.02432	26.9
104.54240	1.7
111.00859	3.3
113.02422	14.1
115.03972	1.9
119.03495	2.0
121.06573	4.2
129.05548	2.9
130.02385	1.7
137.09723	3.6
139.07626	9.6
143.07083	1.6
157.08626	1.7
161.04614	2.8
187.11482	1.8
199.09813	8.8
217.10802	1.8
218.69714	2.0
253.53706	1.7
275.57114	1.7
314.06635	2.0
361.14969	9.2
377.14389	11.6
379.16251	3.4
421.12216	3.2
421.17224	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	5.0
59.63763	2.3
61.90618	2.2
104.71426	2.1
181.05052	35.4
196.07405	100.0
196.84204	2.9
211.09760	79.5
241.89484	2.3
259.43777	2.7
275.70853	2.6
421.19647	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01213	3.7
59.01387	11.3
71.53278	3.7
75.81151	4.0
87.16222	4.5
87.24961	4.3
92.19290	5.2
118.88585	5.1
349.55792	4.5
355.41254	5.3
421.16205	100.0
421.20981	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	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
66.68017	0.9
68.20179	1.0
71.01370	22.9
73.02936	4.1
85.02950	7.3
87.00871	1.4
89.02431	14.0
92.19895	1.4
99.00827	1.7
101.02435	15.9
111.00854	4.0
113.02426	7.2
115.99957	1.1
119.03465	3.8
119.04972	1.2
122.55600	1.0
130.28705	1.1
141.82745	1.2
145.06145	1.1
149.09698	10.8
183.10201	1.1
193.08698	2.4
215.12869	7.2
237.07747	7.6
359.17245	2.2
361.14920	5.3
377.18192	35.7
421.16559	5.5
421.21225	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.6
63.96235	100.0
65.67504	1.0
71.01348	1.2
73.02910	1.4
79.08860	1.3
79.95784	1.4
81.10476	1.2
83.01335	1.2
85.01388	1.1
85.02882	1.4
86.96281	1.1
88.02249	23.3
96.95970	4.5
97.48872	1.4
101.02419	1.6
102.78527	1.1
116.07140	1.9
130.08743	1.3
132.04868	65.0
147.99225	1.2
161.02490	1.5
178.86206	1.2
179.03491	2.0
180.01610	44.6
180.03326	8.8
195.90082	1.3
215.00185	6.1
240.13548	1.9
241.16832	1.3
244.17923	1.2
258.99048	4.1
335.33084	1.2
346.68048	1.2
388.55893	1.6
421.04395	27.7
421.16946	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	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
68.99784	2.3
74.70994	1.3
118.29906	1.5
123.00842	2.1
125.02442	2.1
138.03209	23.4
153.05565	21.6
166.99843	10.5
175.00400	1.9
182.02214	94.7
193.01395	15.4
193.05151	1.9
197.04546	100.0
207.06552	2.5
208.03767	30.9
223.06096	26.1
272.12643	1.6
347.11234	2.3
377.12497	2.7
421.11194	21.9
421.15414	2.3
437.14972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.4
68.95910	1.5
88.94398	1.5
92.20007	3.3
107.29814	1.5
122.03687	2.3
123.04519	4.0
129.26141	1.6
135.04459	3.6
148.01601	1.7
149.02437	12.3
150.01978	2.2
150.03203	79.0
151.03993	27.6
164.04771	7.8
165.05548	100.0
166.06329	14.1
180.04247	3.5
181.05055	10.8
195.06624	11.7
225.07657	34.0
235.67465	1.8
299.09305	8.5
341.10236	3.2
373.12823	30.6
421.15054	61.2
421.19952	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	421.1553
Annotation	Ochrindole D
Peak:m/z	Relative Intensity
51.69879	8.4
55.63109	10.2
60.99468	9.9
64.87263	9.8
65.57156	10.5
67.46191	9.4
69.79042	9.2
74.20612	9.4
99.00161	10.7
144.56433	12.4
161.09647	13.4
171.63486	13.2
205.11714	13.0
228.29829	12.1
331.61371	14.4
421.15353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84244	0.4
55.49919	0.4
55.70338	0.5
69.17135	0.6
78.95893	0.7
79.95727	1.3
80.96519	1.3
91.29309	0.5
96.96007	1.9
97.82240	0.6
130.32518	0.5
133.02945	2.6
135.04520	4.7
161.02432	14.5
179.03400	5.2
187.06068	0.6
193.06955	0.6
215.00197	28.2
240.98035	2.8
258.96384	0.7
258.99170	18.3
268.49588	0.6
301.00470	0.9
421.04474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0448
Annotation	Phe4Cl-Asp-OH
Peak:m/z	Relative Intensity
67.63207	0.7
71.11295	0.6
78.95889	3.5
80.96511	1.2
87.00825	0.5
96.96908	0.5
107.05022	1.0
111.00861	2.7
120.32787	0.6
133.02974	1.4
135.04539	6.1
161.02448	13.3
179.03477	2.5
183.10657	0.6
191.02051	1.2
199.87248	0.6
215.00198	28.0
230.98225	0.9
240.98097	3.0
258.99173	22.9
421.04437	100.0
441.85034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2803
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
52.17654	1.2
64.55837	1.3
69.28799	1.4
77.88321	1.7
98.03369	1.3
117.03426	8.9
118.04244	12.9
119.05022	27.7
120.57746	1.4
121.02924	11.3
129.17038	1.6
145.02939	60.0
162.03224	6.3
163.03999	25.2
168.08115	1.5
171.30844	1.6
214.16010	1.6
219.90948	1.6
367.85718	1.6
387.47284	1.7
419.28067	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	420.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60643	17.0
58.74649	18.0
99.92550	100.0
102.17630	22.0
141.93622	42.1
176.80151	22.1
227.01338	24.5
420.15817	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	420.1611
Annotation	Pitavastatin
Peak:m/z	Relative Intensity
59.01380	6.8
61.60906	7.0
64.60664	5.6
64.68211	5.0
65.47208	5.3
65.80051	5.8
66.34887	4.9
67.09563	5.4
84.15051	6.3
99.92584	100.0
108.93761	5.4
113.48409	6.0
115.92047	8.5
126.38384	6.1
127.57063	6.0
141.86893	6.7
141.93608	62.5
167.75969	6.8
360.13745	9.6
364.11514	6.4
420.16208	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92518	1.8
59.01369	2.7
61.98843	2.4
63.29638	2.1
79.59397	2.1
86.02480	11.7
92.19302	2.8
101.27998	2.4
120.01233	100.0
122.69489	2.3
157.85278	2.5
229.25543	2.5
231.84399	2.5
264.37326	2.5
266.67310	2.8
309.77368	2.2
311.49799	2.1
333.16483	55.5
407.47861	2.5
420.19568	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43771	2.6
57.10784	2.4
61.10144	2.6
82.77814	2.9
98.96167	3.0
100.12738	2.5
118.04240	11.3
119.05009	22.2
123.99382	3.0
140.71161	3.1
145.02956	49.9
151.98398	2.8
162.03143	3.0
163.03966	19.5
243.41713	3.1
258.64697	2.8
359.43607	2.8
419.22717	5.0
419.28027	100.0
423.40341	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	419.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
67.36835	2.4
70.91914	2.5
79.66786	2.4
84.17059	2.2
84.56738	2.4
85.02953	4.0
100.51395	2.3
135.99364	2.5
168.82483	2.5
223.68799	2.5
239.20305	2.1
419.23593	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	419.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.5
59.01376	14.7
62.14907	0.9
62.55905	0.8
67.48796	0.9
69.03484	1.4
71.04994	1.0
73.02921	7.3
85.02917	2.0
85.06569	4.7
87.04496	5.1
97.06557	12.0
97.50185	0.9
109.06565	4.7
111.08133	8.0
113.06066	2.2
115.07623	10.2
123.08152	1.3
125.06056	1.7
127.07635	1.1
132.99771	1.2
137.09712	2.1
139.07611	2.3
141.09195	5.8
145.08755	1.2
151.11292	4.4
153.09210	2.1
155.10771	1.7
163.11275	4.2
173.08159	1.8
182.41374	0.9
195.61565	1.0
199.13403	1.4
261.13422	8.9
316.96979	1.2
329.10153	1.0
359.20709	8.9
364.89273	1.0
377.21796	57.0
400.10941	1.2
419.22900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25986	0.8
57.03445	4.5
58.00590	0.8
59.01117	1.4
59.01381	17.7
67.74868	0.8
69.03439	1.4
71.01363	1.2
71.05018	1.0
73.02948	6.9
83.05002	0.9
85.02922	1.2
85.06571	4.3
86.69901	0.8
87.04503	5.0
95.05042	1.0
97.06577	6.8
99.82029	0.8
109.06575	4.0
111.08131	6.9
113.06133	1.7
115.07642	12.4
116.04745	0.8
123.08147	1.4
125.06102	0.9
127.07615	1.1
137.09692	4.4
139.07599	1.5
141.09213	6.3
149.09698	0.9
151.11276	2.9
153.09239	1.8
163.11287	3.9
167.10727	3.2
173.08141	3.5
199.13403	1.2
203.09264	1.0
225.17407	0.8
244.38577	0.8
261.13458	7.3
356.91983	0.9
359.20752	11.6
377.21817	61.3
397.28650	0.9
419.22931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24673	75.5
93.20184	85.5
197.18581	80.8
239.41615	100.0
239.62193	84.7
249.27663	90.6
297.01459	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24673	75.5
93.20184	85.5
197.18581	80.8
239.41615	100.0
239.62193	84.7
249.27663	90.6
297.01459	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10270	73.8
79.21408	63.3
103.89785	73.2
110.43811	91.4
178.26146	92.7
187.93071	77.8
230.13391	78.8
395.31769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86209	2.2
59.01178	1.8
59.01379	28.7
61.44347	2.2
71.01363	6.2
71.08131	2.4
73.63182	2.3
74.78051	2.3
85.02927	4.3
87.00851	2.9
89.02448	4.1
92.19418	3.7
113.02454	3.3
138.61894	2.8
139.89667	2.5
197.15486	3.6
206.55836	2.8
215.16498	41.8
359.20807	12.1
377.21786	62.6
399.77707	2.8
419.22906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	13.8
59.01377	13.4
64.39487	1.1
71.01372	14.6
73.02918	5.0
76.33978	1.0
83.01379	1.6
85.02933	100.0
87.00861	35.1
89.02415	5.3
99.00851	2.0
101.02421	12.3
102.98612	1.3
111.00858	57.8
113.02421	6.3
116.26505	1.2
124.36407	1.3
129.01920	11.5
130.99406	1.1
159.02966	1.3
161.04565	4.9
165.84261	1.2
289.16605	22.2
419.18985	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	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	94.1
71.01373	59.2
72.62138	2.1
73.02937	17.4
85.02944	11.2
89.02431	100.0
99.00854	2.6
101.02437	28.1
104.59542	2.0
113.02423	20.8
119.03494	15.5
120.96230	2.1
125.02424	2.3
131.03476	24.1
136.86810	2.1
143.07104	3.0
149.04532	39.0
161.59857	2.0
179.05672	5.2
191.05589	13.5
197.11903	3.0
215.12657	2.9
228.49036	2.3
315.21686	4.5
337.22330	3.5
419.18967	11.3
419.26651	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	419.1562
Annotation	Lamioside
Peak:m/z	Relative Intensity
54.71848	1.1
57.03440	1.3
59.01373	21.5
71.01359	14.6
72.99300	6.2
73.02942	6.1
75.00859	100.0
77.72914	1.1
78.38354	1.2
83.01379	1.4
85.02946	5.2
89.02431	13.5
91.92243	1.2
92.19965	2.8
101.02448	12.9
102.98573	2.9
113.02419	6.2
117.01894	1.7
119.03461	5.6
137.02444	1.7
140.89529	1.2
163.07607	3.1
172.87372	1.5
195.10185	1.7
201.05420	1.2
213.11279	9.6
217.04967	1.6
223.07964	1.4
237.03925	2.5
237.06155	39.2
239.09282	1.9
245.04510	2.4
257.10284	6.4
271.09094	1.8
273.04044	6.7
283.05078	2.2
344.23163	1.5
366.43924	1.5
375.16580	7.9
401.14450	1.5
415.44290	1.4
419.15546	90.5
419.20685	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	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78195	1.2
57.03452	13.8
59.01371	22.5
71.01363	14.4
73.02946	2.3
84.73294	1.3
85.02938	100.0
87.00858	34.9
89.02433	13.8
101.02414	10.8
111.00855	60.7
113.02420	7.1
119.03476	2.1
129.01947	10.7
142.91194	1.3
151.04089	1.7
159.09717	1.4
161.04576	2.0
179.05539	1.9
211.26215	1.4
232.61955	1.2
247.41513	1.5
289.16489	15.1
419.19086	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	419.135
Annotation	Dactylomelol
Peak:m/z	Relative Intensity
50.70314	1.5
53.27067	1.5
53.40659	1.6
59.01379	34.3
87.55754	2.0
89.94024	1.9
92.19425	3.8
107.52766	2.3
136.98773	2.3
138.03194	15.0
139.00352	3.3
149.02432	15.2
153.01942	2.2
164.04778	100.0
177.01869	2.6
179.07130	64.8
190.02727	23.5
192.04289	3.3
205.05096	13.1
301.07129	4.7
313.07199	10.0
329.06589	13.4
359.11377	37.0
419.13464	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09251	1.2
59.01379	100.0
64.74082	1.4
68.28128	1.4
72.59330	1.3
73.09505	1.4
73.74365	1.5
77.58182	1.3
85.02939	1.5
89.02449	1.7
92.86006	1.7
96.95978	2.1
98.74594	1.5
100.13892	1.5
102.26447	1.5
134.03748	19.1
149.06073	96.6
197.08203	31.9
265.94855	1.8
359.13379	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	419.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07397	3.0
51.45715	2.6
56.68541	2.9
59.01369	8.0
70.04093	3.1
92.20026	4.8
117.17701	3.5
121.02930	4.2
125.06036	3.2
127.40075	3.9
128.13585	3.4
148.64481	3.7
149.02415	21.1
150.03212	87.0
159.56778	3.8
160.09711	7.1
164.04778	40.4
165.05547	100.0
165.06923	3.9
179.07152	6.3
195.06680	39.2
208.03772	35.1
223.06126	57.1
248.72470	4.0
337.22485	8.8
371.11646	5.1
377.21780	7.3
419.13287	7.0
419.18103	19.0
419.23056	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	418.2139
Annotation	MRE-269
Peak:m/z	Relative Intensity
50.25503	3.0
53.33265	2.5
56.21126	2.9
57.66927	3.1
59.01395	4.3
67.57143	3.0
69.86193	3.3
74.91301	4.1
82.93422	3.7
92.19347	6.9
118.06592	7.9
118.56289	3.8
125.16386	4.3
137.11507	3.7
147.04543	7.4
164.07068	5.2
173.10832	95.2
418.21390	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	418.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35569	2.9
56.50542	2.7
61.98829	100.0
65.59695	2.8
71.15401	2.4
127.40545	2.9
137.47272	2.9
184.53212	3.0
184.67043	2.8
231.32971	3.2
256.15564	3.1
355.24811	3.5
393.72064	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	419.1099
Annotation	Eiseniaiodide B
Peak:m/z	Relative Intensity
59.01377	49.8
71.01373	7.8
72.99261	1.9
73.02933	29.2
85.02930	1.6
87.04484	1.9
89.02426	5.9
101.02394	6.8
113.02399	3.0
135.15373	1.5
147.03241	11.7
148.04034	3.2
150.50471	1.4
175.02689	3.6
176.03490	12.5
189.90344	1.5
190.05144	1.4
199.08734	1.9
206.04611	2.0
212.10872	3.1
215.08374	1.5
215.11710	12.8
220.02446	1.7
225.06621	2.5
225.10324	2.7
227.08214	7.5
227.11848	2.6
237.10257	5.6
240.09004	6.2
241.09808	8.1
243.07684	9.0
243.11392	2.2
253.09839	8.5
255.11470	10.0
255.84682	1.6
263.01593	1.6
266.06958	8.0
269.05603	2.6
269.09290	8.4
271.07169	2.3
271.10825	9.8
281.09271	19.0
284.08145	2.6
299.10370	13.4
307.07156	1.9
313.12000	2.2
325.08322	3.2
329.07733	1.6
333.19003	2.3
343.09409	11.2
359.16983	2.7
375.11847	1.9
375.20349	5.9
377.18088	9.7
387.08289	10.8
419.10944	100.0
419.19147	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	418.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	91.8
110.73919	94.3
121.16954	86.4
141.34041	84.4
190.71361	93.3
213.42650	93.6
239.27725	94.0
264.84351	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	418.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81472	0.5
62.80551	0.5
63.89621	0.5
85.02927	0.7
87.00849	1.2
96.95989	3.6
107.05036	0.9
110.02417	0.8
113.02492	0.7
114.14265	0.6
120.01157	0.8
121.49303	0.6
123.04498	4.0
124.04829	1.3
135.04506	2.3
139.99365	1.3
147.83960	0.7
153.00148	3.4
165.05571	2.6
168.01331	0.8
168.02486	43.7
169.03273	100.0
190.60602	0.8
193.04938	1.0
194.05376	3.0
211.04390	0.7
211.72314	0.7
229.17250	0.7
276.10675	1.1
331.08585	64.2
418.11624	35.7
427.94577	0.6
432.86655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74977	3.7
59.01373	8.2
63.43563	3.4
75.12180	4.1
93.96107	4.3
99.16245	3.8
99.35107	3.7
113.65970	4.6
115.15645	4.2
122.89355	4.3
135.52505	4.7
211.07631	6.8
213.09277	8.4
214.17207	5.1
218.98792	32.7
229.14532	5.1
253.05504	14.5
265.81363	4.4
278.17029	4.0
306.87967	4.4
381.13803	17.6
399.31223	4.9
415.30560	9.4
417.11118	23.8
417.32120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2495
Annotation	Erythronolide A
Peak:m/z	Relative Intensity
57.03431	3.2
59.01377	78.3
71.01368	18.1
71.05002	2.3
73.02932	10.7
75.00834	1.6
79.83737	1.6
85.02942	8.6
87.04510	13.2
89.02425	17.7
92.19388	2.1
93.07108	2.1
97.06550	11.9
99.00784	1.5
101.02442	18.8
101.06126	1.6
102.61035	1.5
111.08105	5.6
113.02427	11.7
119.03461	3.3
125.06033	2.5
137.06058	2.1
139.07761	1.9
143.07124	40.8
155.07106	8.0
157.08626	1.8
161.04543	3.6
165.10770	1.7
173.08192	19.5
173.09618	2.3
175.14946	3.8
195.10309	2.0
219.13893	9.3
222.70107	1.6
237.14978	12.2
255.16174	3.1
278.23593	1.7
343.21384	13.6
357.15561	21.4
381.22717	2.1
411.35217	1.9
417.17392	16.4
417.25021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60162	1.0
50.65604	0.9
53.88371	0.9
57.03445	2.9
59.01379	30.8
59.01669	2.1
59.04943	1.0
60.01682	1.1
67.91140	1.1
68.72688	1.1
69.03452	3.0
71.01366	8.9
71.80965	1.0
72.99307	1.7
73.02929	15.2
83.01360	1.7
83.02387	1.2
83.05000	13.4
85.02918	2.9
87.04469	1.3
89.02434	2.5
94.82068	1.1
95.05016	13.0
97.06551	2.3
101.02422	7.1
102.06947	1.1
107.05016	2.0
109.06557	11.2
111.08128	8.9
113.02415	2.0
114.42942	1.3
116.61099	1.3
121.06567	24.4
123.08139	1.4
127.07616	4.6
139.07611	4.6
141.10301	1.5
155.07126	1.9
163.11298	2.1
173.08167	24.8
173.14590	1.2
189.12794	2.5
203.09225	2.6
236.12103	1.2
247.33673	1.3
251.12875	7.2
274.53082	1.4
280.37479	1.2
287.14972	11.9
331.17575	2.3
357.19183	9.0
357.25394	2.3
375.20190	22.4
387.78250	1.4
400.62589	1.2
407.93259	1.3
409.86511	1.4
417.21777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
57.50006	1.4
59.01380	28.1
69.03448	2.3
71.01369	2.7
71.73068	1.6
73.02924	13.4
83.05011	13.3
95.05004	14.8
97.06570	2.8
97.15250	2.0
101.02412	1.8
109.06587	3.9
109.09638	1.9
111.08144	7.3
113.06055	1.9
113.57458	1.6
119.12202	1.7
120.22644	1.6
120.46317	1.6
121.06580	23.8
127.07538	1.8
134.44153	1.6
139.07654	3.7
173.08185	23.4
181.04973	2.8
186.03183	1.9
189.12874	2.5
201.05577	8.5
203.09251	1.9
251.12866	2.0
287.15030	3.9
311.09213	7.6
324.06543	1.8
339.08679	32.7
354.11105	7.5
357.19287	9.4
369.13470	15.6
375.20233	18.0
399.14520	7.9
402.20206	3.6
417.16739	4.1
417.21399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Maryal
Peak:m/z	Relative Intensity
53.44029	0.9
57.03449	3.9
59.01380	20.7
62.21520	0.9
69.03436	5.1
70.97388	1.0
71.01371	0.9
73.02932	8.7
75.56385	0.9
78.43503	0.8
79.62805	0.9
83.05016	8.8
85.02948	2.1
85.34853	0.9
87.04488	2.4
89.37126	0.9
93.07136	1.3
95.05022	10.8
97.02921	1.3
97.06585	1.3
101.02435	1.8
109.06580	4.9
111.08160	10.5
119.04932	1.1
121.06590	13.6
123.08144	1.2
127.07623	1.5
128.03543	1.1
139.07666	4.8
141.09216	2.4
153.09248	1.8
154.17871	1.1
155.07138	1.7
163.11298	1.4
173.08170	24.5
173.09546	1.3
189.12941	1.9
194.49336	1.0
203.09265	4.5
212.66402	1.1
223.31023	1.0
225.11272	1.2
233.33127	1.1
251.12961	5.3
261.13437	6.3
287.15060	5.9
325.95435	1.2
331.17581	1.6
339.08899	1.4
357.19226	8.6
375.20203	23.8
417.21399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
66.99149	3.2
73.26485	3.4
87.00868	14.8
91.55779	4.2
92.19348	4.1
103.92503	3.2
107.79700	3.7
107.89157	3.9
108.06002	3.3
116.05045	8.2
122.37370	3.6
165.99490	3.5
348.43216	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95789	1.5
55.01870	2.7
57.03436	1.9
59.01083	2.7
59.01376	61.1
64.86404	1.4
71.01373	62.4
73.02932	21.6
83.01374	6.7
83.04993	1.7
85.02940	24.9
87.00849	3.6
89.02439	25.6
95.01400	8.0
99.00861	3.3
101.02424	51.5
103.85628	1.8
111.00850	2.0
113.02435	35.2
113.06013	1.8
119.03502	8.2
151.11226	14.8
156.57921	2.0
161.04526	26.0
179.05602	2.7
181.12344	15.8
189.12834	10.4
201.12883	3.0
213.28508	1.8
219.13852	22.6
229.12053	1.6
235.08325	15.6
237.15021	2.5
255.16023	3.0
270.07663	2.4
357.15173	1.8
381.80508	1.7
392.89114	1.8
417.21371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47786	2.6
59.01377	16.6
68.57952	2.9
71.55868	2.5
80.25301	2.8
111.08141	95.3
125.09702	74.9
129.09244	4.1
157.22617	3.3
166.02612	5.0
173.08192	71.9
173.49014	3.0
174.85829	3.4
181.05067	5.9
187.09764	74.8
247.11852	3.5
249.59422	3.0
417.21265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01853	1.2
57.03453	1.9
57.03760	1.0
59.01086	2.2
59.01379	62.8
71.01369	20.0
73.02936	14.0
83.01373	5.0
85.02934	11.7
87.00878	8.4
89.02440	8.0
95.01361	1.1
99.00854	2.6
101.02424	30.0
102.98582	1.7
113.02438	13.1
122.03725	2.6
127.05137	1.7
161.04509	1.7
185.95241	1.2
195.13892	5.0
211.07603	1.6
213.09196	5.4
213.14996	2.5
287.16599	2.0
331.21225	5.5
341.35226	1.2
345.09790	1.9
357.19217	1.3
375.20151	5.4
417.21259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45317	1.1
59.01376	100.0
62.32312	0.9
66.43801	0.9
80.25169	1.1
86.24676	1.0
89.52990	1.1
95.80553	1.2
106.26716	1.3
115.24927	1.0
122.78024	1.1
139.96945	1.2
145.70505	1.3
177.86995	1.1
202.44786	1.2
394.68652	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85246	1.0
57.03440	1.6
57.10542	1.0
59.01091	2.9
59.01379	64.8
62.98130	1.2
67.04527	1.1
68.25444	1.1
71.01378	23.0
73.02937	33.6
80.16190	1.0
83.01372	7.1
85.02955	8.8
87.00827	4.5
89.02427	14.9
97.02968	1.5
98.79830	1.1
101.02439	29.3
101.91602	1.3
102.98592	1.9
108.80079	1.1
113.02453	11.3
118.45165	1.3
119.03465	6.9
131.03430	1.5
132.35216	1.2
160.29340	1.1
161.04556	2.1
172.25052	1.3
178.39751	1.3
195.13939	25.3
201.54947	1.1
213.14970	7.2
266.20468	1.5
287.16803	1.9
357.19144	6.4
357.26590	2.3
375.20349	14.8
375.27460	2.7
417.21259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19797	1.0
56.04219	0.9
56.26603	0.9
59.01377	100.0
64.54117	0.9
71.01386	1.6
74.29636	1.0
92.20010	1.4
123.51530	1.0
134.86067	1.1
182.79507	1.1
213.34998	1.1
246.12070	1.1
251.58488	1.3
295.78174	1.3
296.40768	1.2
334.78897	1.1
417.20831	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	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	52.7
111.08154	86.8
125.09704	86.9
135.04517	11.7
173.08186	88.9
187.09740	82.4
189.81671	7.8
236.98253	6.5
247.11801	11.3
253.90739	7.0
276.87845	7.7
399.78589	7.7
405.14432	8.8
417.21381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08914	0.7
53.96485	0.8
54.66942	0.8
57.03464	0.9
59.01377	76.6
62.16343	0.7
71.01371	25.0
73.02937	24.5
83.01364	8.1
85.02933	11.5
87.00835	1.3
89.02425	13.3
95.01377	1.2
99.00847	1.6
101.02427	41.3
101.03092	1.5
113.02422	13.9
115.63593	0.8
119.03466	3.6
123.72112	0.8
151.11250	0.9
161.04550	4.1
169.12329	1.7
174.08337	0.9
177.09207	7.7
195.10243	4.2
234.41368	0.9
265.59256	0.9
331.17572	1.9
357.15457	7.2
399.16486	10.3
417.17661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11684	0.9
57.03446	1.2
59.01377	100.0
59.54132	0.8
62.00343	0.8
63.12761	0.8
66.20844	1.0
69.03445	1.8
70.38287	0.8
71.01360	18.9
73.02561	1.6
73.02932	21.3
83.01359	4.8
85.02932	7.1
86.25204	1.0
87.00861	1.0
89.02425	12.8
97.36752	0.9
99.00816	1.3
101.01799	1.3
101.02428	28.1
113.02429	12.0
119.03467	4.6
123.04432	1.0
123.57734	1.0
125.02445	1.0
133.10213	11.6
143.03494	1.1
151.11292	1.1
158.66618	1.0
161.04555	4.0
169.12350	1.3
172.16463	1.0
177.09190	1.4
178.78282	1.0
182.33185	0.9
186.23343	1.0
195.10260	1.3
213.06607	1.4
213.11378	3.7
241.12924	1.0
357.15390	12.3
357.18826	1.6
375.16489	13.0
375.19794	0.9
399.16602	1.4
417.17624	57.1
417.22919	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.01376	21.5
72.99299	2.9
73.02938	21.5
75.87714	1.1
83.01378	7.5
85.02937	9.1
89.02441	15.0
92.19951	2.0
95.01353	1.5
96.52160	1.3
99.00817	1.5
101.02429	25.5
113.02430	9.4
119.03464	4.8
125.02466	1.3
130.92461	1.1
133.10240	8.2
144.53751	1.2
149.46123	1.0
151.11256	1.5
161.04536	2.3
177.09102	2.0
195.10350	2.0
213.11432	1.6
357.15430	14.4
357.18994	1.4
375.16528	9.2
399.16711	4.5
417.17633	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.01376	21.5
72.99299	2.9
73.02938	21.5
75.87714	1.1
83.01378	7.5
85.02937	9.1
89.02441	15.0
92.19951	2.0
95.01353	1.5
96.52160	1.3
99.00817	1.5
101.02429	25.5
113.02430	9.4
119.03464	4.8
125.02466	1.3
130.92461	1.1
133.10240	8.2
144.53751	1.2
149.46123	1.0
151.11256	1.5
161.04536	2.3
177.09102	2.0
195.10350	2.0
213.11432	1.6
357.15430	14.4
357.18994	1.4
375.16528	9.2
399.16711	4.5
417.17633	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97302	1.2
59.01365	3.3
59.41420	1.3
69.87348	1.2
71.01353	12.8
73.09036	1.6
75.00853	3.2
79.83287	1.1
87.00852	6.1
88.04034	1.9
88.71056	1.3
92.05074	1.5
92.60068	1.4
96.95985	5.4
96.96947	1.8
106.04227	1.5
107.05016	19.3
115.00347	31.2
123.04489	11.6
128.03424	1.4
132.03001	34.0
135.04504	100.0
135.05632	70.4
136.04025	24.1
140.10733	1.4
163.08740	6.7
165.05547	3.0
189.06662	9.0
193.05115	7.1
195.02890	2.1
207.07732	37.2
233.05769	5.0
251.06708	67.4
293.98361	1.6
417.13513	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	417.1191
Annotation	Actofunicone
Peak:m/z	Relative Intensity
50.48576	1.4
52.51919	1.2
56.97396	1.7
59.01376	2.8
68.99806	9.8
71.87160	1.5
76.68855	1.8
88.16792	1.6
102.98584	8.1
108.02176	12.2
109.02895	2.6
120.50817	1.7
122.03774	2.1
123.00855	2.7
123.04516	22.2
132.02103	1.7
134.03746	2.0
134.86328	1.6
147.04443	2.3
149.02435	7.0
150.03206	14.4
151.04033	2.7
152.01186	2.2
161.02408	2.7
162.03203	4.0
163.03993	6.1
164.04790	35.3
177.05551	17.1
178.02696	36.5
179.07121	11.7
193.01404	6.8
193.05052	46.4
208.03752	87.6
218.05850	3.3
223.06097	100.0
343.11768	8.3
373.12796	11.8
417.11801	36.3
417.21021	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63890	1.6
57.36152	1.6
72.54932	1.6
73.02935	18.2
75.85084	1.7
83.05019	3.7
93.03438	44.5
95.43195	1.8
99.00879	9.0
99.04501	9.6
110.02464	24.8
111.04496	36.4
119.25774	2.2
129.01913	1.8
137.02414	20.3
140.03438	2.5
143.03517	4.1
152.03520	4.7
155.03503	15.4
161.43877	1.7
173.04539	100.0
200.05658	12.7
210.83315	2.1
243.06232	52.4
340.21265	1.9
343.53778	1.8
444.81696	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
76.95723	94.7
78.46645	98.8
86.49572	96.9
97.87436	92.9
159.43228	100.0
182.09871	93.3
209.76488	95.6
376.58878	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
74.67303	5.1
93.95611	4.5
170.40829	5.4
223.17758	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63660	1.4
55.65187	1.4
59.01369	10.3
69.35786	1.4
71.01361	2.7
87.00883	20.5
89.02419	3.9
96.95985	7.4
101.02406	6.8
107.05007	16.0
110.02441	13.3
113.02437	2.1
123.04504	58.3
149.06075	15.3
150.03156	1.7
165.05569	17.4
167.03505	3.8
181.09944	2.2
193.05070	34.3
195.02977	10.6
207.07724	1.9
223.10893	10.0
252.55054	1.9
255.05103	2.5
275.10437	21.7
277.08206	2.0
285.09753	10.5
337.10797	1.6
357.08127	3.2
374.12625	1.7
399.10358	3.8
417.10526	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	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01376	100.0
61.04850	0.8
71.01372	13.6
73.02931	4.9
74.02453	1.1
83.01412	1.4
85.02932	8.4
85.84129	0.9
87.00854	5.1
89.02419	6.9
95.01346	1.8
96.44975	0.9
101.02424	8.9
102.98569	10.0
113.02424	6.2
117.97283	1.0
118.63741	0.9
119.03487	1.5
161.04550	3.7
175.84720	1.1
185.56573	1.0
241.77406	1.0
262.69205	1.1
285.15286	4.2
295.39908	0.9
373.17480	1.5
401.71500	1.1
415.18228	6.7
415.23294	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	415.2339
Annotation	Dendroside E
Peak:m/z	Relative Intensity
58.68023	6.0
59.01370	31.4
71.01360	11.7
74.25858	7.0
85.02921	10.6
92.19328	8.6
101.02431	14.9
102.98553	10.9
122.93925	6.3
168.32304	6.2
375.30219	6.9
415.23413	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	415.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56810	81.7
93.13354	88.9
117.10944	98.8
143.22685	100.0
228.44084	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50078	2.2
57.03445	11.1
58.22938	1.9
59.01381	31.5
69.03471	2.0
71.01376	22.0
71.05002	2.5
72.02171	3.2
73.02928	20.8
77.79149	2.1
83.01376	3.1
85.02948	5.8
87.00872	3.4
87.04500	48.8
89.02425	10.4
92.19380	4.4
93.07083	13.5
97.06568	5.6
101.02427	14.3
102.98595	10.5
107.08665	21.0
109.06560	10.0
111.08132	9.2
113.02437	10.2
113.09737	2.9
123.07288	2.4
123.08161	10.3
133.10233	3.7
135.08102	9.2
137.09692	13.4
139.07626	16.5
141.09183	4.1
143.07132	9.7
147.08167	8.6
147.11714	4.3
151.07674	3.7
153.09187	29.1
165.09181	22.8
167.10808	3.0
169.12265	2.9
173.08163	3.8
175.14883	2.9
181.12321	3.5
183.10252	3.4
199.13354	5.8
201.11267	13.1
203.14449	3.8
229.16005	19.8
247.17041	17.6
253.14406	3.7
265.18140	4.7
277.17734	3.1
285.15317	14.4
335.22275	5.7
371.24487	4.0
415.18817	14.3
415.23636	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	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88543	0.6
51.76868	0.8
52.18835	0.7
54.15946	0.7
56.59692	0.7
57.03453	0.7
59.01376	59.7
59.21901	0.7
63.95692	0.8
64.46397	0.8
71.01369	22.4
73.02932	34.7
73.26257	0.8
75.82338	1.0
83.01378	8.3
85.02917	7.7
87.00861	1.2
89.02419	12.3
93.02171	0.8
93.36101	0.9
101.02425	24.1
113.02414	10.5
119.03458	2.1
143.03528	0.9
149.13353	1.3
161.04561	1.1
167.53264	0.8
193.12280	1.5
280.25967	0.9
338.27472	0.9
373.18555	1.6
415.19687	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	415.1975
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.43789	1.0
59.01376	100.0
66.13270	0.9
68.52044	0.9
71.01376	6.6
73.02931	1.5
81.03430	2.4
85.02934	2.3
88.03935	1.1
89.02408	2.5
92.19355	2.1
99.04520	8.5
101.02406	5.4
108.34033	1.2
109.74319	1.2
113.02384	4.6
120.38177	0.9
132.60501	1.0
299.33170	1.1
408.91983	1.1
415.19351	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	415.1975
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.08020	1.8
50.83897	1.7
51.95560	1.7
53.02307	1.7
57.20606	1.8
59.01382	63.5
71.01368	21.0
73.02935	41.8
83.01377	4.0
85.02953	2.4
89.02430	15.2
101.02429	30.0
109.04970	2.2
113.02428	12.9
193.12265	15.6
211.13394	2.6
222.37509	2.5
355.17889	2.9
373.18719	11.2
397.62427	2.4
415.19742	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
64.51447	1.2
71.01382	1.6
73.02937	2.2
104.59939	1.2
119.05000	1.6
193.90198	1.1
200.30276	1.3
232.70099	1.1
237.09152	2.6
270.33490	1.2
281.08179	1.3
299.09323	1.7
415.19647	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18183	1.6
56.39824	2.0
59.01370	2.5
65.26816	1.6
69.13162	1.8
71.01373	100.0
73.11218	1.7
85.79845	2.1
88.00894	2.0
92.20005	4.1
95.09610	2.1
97.02955	25.8
98.03712	2.8
115.00356	73.9
151.95073	1.8
176.30750	2.1
184.28281	2.2
187.12399	15.6
205.89116	2.2
212.14427	4.2
214.04872	9.8
238.40054	2.6
279.08398	2.0
283.98972	2.1
299.17651	76.0
317.18729	10.8
343.51913	2.0
415.18814	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	415.161
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
51.86627	0.8
57.03447	1.5
59.01379	32.0
71.01370	21.0
72.99260	1.1
73.02936	8.0
75.00871	1.3
83.01373	7.3
85.02933	11.5
86.00066	1.0
87.00875	1.6
89.02420	8.2
99.00864	2.0
101.02435	25.3
113.02460	8.2
119.03435	1.2
142.92975	1.1
149.09688	1.5
159.88249	1.1
167.10764	7.3
176.08472	1.8
194.09453	24.3
195.10307	4.6
209.11809	33.5
211.09808	1.5
211.98915	1.3
232.64604	1.3
235.09703	4.7
371.17288	13.9
397.15009	14.1
415.16104	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28150	1.4
56.14648	1.2
59.01377	100.0
67.21265	1.5
71.01373	83.3
72.34270	1.5
73.02926	21.9
74.93036	1.5
83.01370	2.2
85.02930	2.2
88.98787	2.7
89.02417	2.2
101.02428	14.0
111.08141	16.6
113.02469	3.1
125.02437	2.2
135.04517	1.6
139.07628	72.0
149.09689	12.6
156.80038	1.9
161.04550	3.4
163.04013	3.0
167.10741	6.6
203.05658	16.0
275.07718	26.6
355.13928	3.4
373.15005	7.3
415.15869	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	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17231	0.4
59.01395	3.8
60.24181	0.5
62.83381	0.5
67.59892	0.5
71.01370	3.0
73.02945	1.1
82.64938	0.5
85.02928	1.3
88.54514	0.5
89.14090	0.5
90.81319	0.6
95.73492	0.6
101.02429	3.1
101.73206	0.5
106.04241	0.9
107.05012	5.0
113.02457	1.9
116.97859	0.5
121.84835	0.6
133.02895	0.7
133.06540	2.0
134.03731	6.3
136.04030	0.7
137.04398	0.6
139.79034	0.6
149.06065	100.0
158.38994	0.5
159.04720	0.6
161.04587	2.3
171.71169	0.6
177.05534	7.4
179.03506	0.9
191.07169	0.5
193.05067	2.4
230.19115	0.6
288.50754	0.5
311.11392	7.9
323.62228	0.5
341.08789	3.6
355.10385	4.1
383.09790	0.6
415.12460	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	415.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35479	2.9
53.82728	2.5
59.01373	17.1
59.75449	2.4
62.22401	3.0
62.36375	2.9
63.58004	2.6
67.11866	3.1
72.99300	5.0
76.03515	2.8
106.87992	3.6
119.05012	20.6
133.06573	3.4
210.69458	3.2
219.27173	3.9
237.09201	100.0
249.09238	27.1
253.08748	5.4
255.56213	3.6
281.08185	23.8
285.00754	3.2
293.08209	15.8
299.09259	62.3
303.91980	3.4
311.09204	18.4
322.65247	3.2
329.10535	3.4
341.10339	39.3
353.10315	10.9
371.11511	5.2
415.19278	5.1
415.24207	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	414.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12856	2.0
58.70649	2.4
59.01368	5.6
60.99290	2.3
95.96188	2.5
96.08154	9.9
96.47846	2.3
113.09660	2.8
115.07587	18.1
128.07170	3.0
128.10786	11.4
130.04118	2.1
140.10802	57.2
157.08684	76.8
195.13931	5.5
210.15044	4.9
220.13449	4.2
224.16516	16.2
234.14960	29.8
236.16557	91.4
254.17622	13.6
295.83432	2.5
298.16473	2.8
307.55795	2.4
322.01590	2.4
352.24771	27.5
375.41406	2.2
384.23764	5.0
396.23828	39.3
408.75562	2.5
414.25024	100.0
423.96948	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	414.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72938	1.4
57.03445	1.9
59.01376	4.3
60.99312	1.8
62.27693	1.4
81.70259	1.7
83.04998	8.9
83.37950	1.6
87.79387	1.6
94.06613	2.1
101.02433	2.2
109.06547	4.3
110.64826	1.7
111.08137	100.0
128.07072	2.6
140.81107	1.6
173.08180	15.4
176.14406	1.8
178.15991	50.1
186.11360	3.8
198.11342	7.6
199.54446	1.9
240.15881	2.0
322.23471	1.9
352.24985	22.7
370.66544	1.9
384.23846	8.5
396.24026	7.0
414.25058	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37180	1.9
54.07990	1.9
55.24781	1.9
56.98432	2.1
59.01372	11.5
60.48572	2.1
60.99302	3.7
61.59147	2.2
68.71169	1.9
74.39374	2.0
75.69070	2.3
83.26547	2.1
92.20071	2.4
96.08153	5.4
97.06550	3.6
101.63002	2.1
113.09705	3.6
115.07612	13.2
125.30633	2.5
128.10791	4.9
140.10793	61.8
157.08687	83.2
195.13899	4.6
210.15089	2.6
220.13512	3.6
224.16539	13.4
234.14990	24.3
236.14230	4.5
236.16541	94.0
254.17632	5.5
269.33704	2.5
352.24945	41.6
384.23785	3.7
396.24005	35.5
414.19519	3.7
414.25012	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	414.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51820	0.6
71.01370	5.5
71.67987	0.6
85.05853	0.5
92.20017	0.8
93.03432	3.0
104.36021	0.6
114.01973	0.6
115.00343	11.1
117.10112	0.7
118.02946	3.7
136.04030	100.0
137.02432	4.8
146.06065	2.9
159.56168	0.7
164.07193	8.0
164.84853	0.7
169.73817	0.6
200.38777	0.5
208.06145	10.4
252.05125	7.5
319.52707	0.6
396.09293	1.2
414.10413	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1041
Annotation	Dafadine-B
Peak:m/z	Relative Intensity
63.48987	0.5
71.01369	6.1
78.88895	0.7
81.01243	0.5
84.97504	0.5
93.03429	2.0
114.71123	0.6
115.00348	12.1
118.02992	2.5
132.02992	0.9
136.04028	100.0
137.02412	3.9
146.06065	1.2
163.03923	0.8
164.07133	6.8
174.70483	0.5
202.91638	0.5
208.06129	10.4
252.05124	6.3
396.09149	1.1
414.10422	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32424	1.3
56.27843	1.2
59.01375	100.0
69.44496	1.4
70.10999	1.4
216.83847	1.4
226.16968	1.5
241.88760	1.7
364.86807	1.7
428.94028	1.5
430.05978	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80693	1.4
56.50977	1.0
59.01381	100.0
62.79423	1.1
90.38895	1.2
119.78255	1.3
127.63126	1.2
178.65106	1.4
226.25653	1.2
309.41336	1.4
332.96185	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77077	74.0
64.44926	85.4
69.97585	86.9
85.21255	80.9
97.17332	81.3
100.31895	95.4
112.20142	100.0
117.85701	96.3
154.17764	90.1
375.41949	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.46503	0.5
57.03440	4.2
59.01383	2.7
73.44230	0.5
73.53133	0.6
82.95824	0.6
83.01376	25.7
85.02946	0.9
92.19296	0.6
96.33549	0.7
101.02412	1.1
114.69851	0.6
117.05959	0.6
130.09187	0.7
155.95155	0.7
157.05070	19.0
175.06064	3.7
176.13594	0.7
194.56247	0.6
255.23296	100.0
273.86963	0.6
336.07574	0.8
413.29108	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01368	3.0
71.01360	2.6
83.77361	2.8
87.00046	3.0
92.19963	4.1
133.37442	3.0
182.65392	3.4
309.20566	3.2
329.73068	3.4
346.38577	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	413.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	2.3
59.01392	1.0
61.29199	0.9
63.55832	0.9
70.15549	0.9
74.02468	35.1
87.05618	21.7
97.56126	0.8
111.05647	1.4
113.43771	1.1
126.09197	1.1
129.05717	1.2
129.06689	37.0
129.10306	1.7
130.08743	2.3
137.58812	0.9
140.07143	2.0
143.11884	23.0
153.10345	2.1
157.13461	0.9
166.08745	1.7
169.09814	3.7
183.11427	3.6
187.10924	6.7
208.13397	1.1
210.79686	1.0
214.15598	4.1
256.20285	22.2
264.91293	1.0
272.11316	1.0
294.21933	1.3
327.23993	15.0
358.86673	1.1
413.24060	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	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60028	1.6
56.74884	1.3
59.01379	100.0
71.01374	13.4
73.02930	8.6
83.01393	2.0
85.02946	11.1
87.00835	3.0
88.10940	1.7
89.02441	3.3
99.00905	2.8
101.02457	16.8
101.54256	1.5
102.98583	7.5
113.02409	9.2
165.78185	1.6
177.72835	1.8
219.13998	2.2
251.16562	2.7
348.09271	1.8
353.19684	10.1
371.20468	13.3
383.11349	8.4
413.16141	11.6
413.21765	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.82415	1.9
62.51867	1.8
64.90510	1.7
71.01363	15.0
73.02939	14.4
83.01389	2.3
85.02943	4.2
89.02427	4.2
101.02423	19.9
113.02415	11.6
121.70381	2.1
147.11755	3.8
174.91367	2.1
184.90630	2.0
209.15378	3.4
314.86768	2.2
331.59262	2.5
353.19641	4.4
354.77484	2.6
358.03531	2.3
371.20667	16.7
406.67010	2.1
413.17740	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
62.18117	1.1
64.34971	1.2
64.73199	1.0
67.56103	1.1
71.01381	1.9
82.12830	1.1
83.64738	1.1
89.02486	1.4
101.02452	2.5
140.33606	1.2
140.91278	1.2
148.64728	1.1
148.77927	1.0
224.47702	1.1
327.12457	1.9
374.06113	1.3
383.11075	4.0
390.72165	1.2
401.94714	1.3
413.16006	7.2
413.21854	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	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64909	0.7
59.01378	100.0
71.01362	3.7
71.25713	0.7
73.02924	0.9
79.08607	0.7
85.02934	1.7
89.02429	3.4
93.96552	0.7
95.01372	0.7
96.13619	0.7
101.02428	4.2
102.98594	1.6
113.02399	1.7
121.69093	0.7
124.76945	0.8
132.27495	0.8
134.73454	0.7
162.05103	0.7
209.15401	1.2
353.19690	1.4
364.69421	0.7
371.20602	1.6
413.21826	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	413.2183
Annotation	Tentoxin
Peak:m/z	Relative Intensity
51.41440	0.8
56.08513	0.7
57.03439	1.3
59.01379	100.0
61.98815	0.9
63.99988	0.8
68.70809	1.0
71.01376	1.4
73.02930	3.6
82.18410	0.9
85.02954	1.1
89.02430	2.0
89.09999	0.8
92.19936	1.6
92.94107	0.9
101.02408	3.8
113.02441	1.5
125.05888	0.9
143.07114	1.1
161.04562	1.1
234.92786	0.9
346.33185	0.9
369.19177	1.0
402.01489	1.0
413.22284	7.1
422.93658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05790	1.0
51.32085	1.1
54.82665	1.0
59.01376	100.0
60.57627	1.0
61.92426	1.2
63.83367	1.1
71.01364	19.0
73.02935	48.7
83.01371	9.6
85.02942	4.8
85.12078	1.4
85.70395	1.2
89.02428	5.3
90.49279	1.3
92.19447	1.6
101.02428	31.0
113.02438	12.3
119.55724	1.5
131.03482	1.9
143.03499	1.9
147.11777	57.5
149.04576	1.6
161.04588	5.4
209.15524	2.0
221.06897	1.3
296.35919	1.7
353.19708	1.9
371.20709	7.6
413.12512	2.2
413.17752	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	413.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35655	2.1
59.01369	3.9
63.27581	2.0
70.02984	3.7
82.02969	2.3
84.04536	2.3
88.33598	2.5
95.54910	2.4
114.01925	10.5
120.99515	2.2
122.51876	2.3
128.03520	14.2
145.09781	3.3
153.06689	18.0
168.74226	2.2
169.22543	2.3
171.07739	100.0
171.10107	2.5
189.08803	78.8
208.03502	2.5
224.33347	2.5
395.20764	2.6
413.19012	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1606
Annotation	Kadsulignan L
Peak:m/z	Relative Intensity
50.38910	1.2
51.34814	1.1
57.78499	1.1
59.01377	44.0
84.02943	1.2
86.27046	1.4
92.19465	1.8
104.15059	1.4
104.50935	1.4
132.02184	1.8
160.01645	19.8
212.83318	1.5
236.20752	1.3
284.10526	1.9
295.09509	1.4
312.10074	11.9
323.09207	7.8
324.10092	1.9
327.12372	23.1
337.10718	2.6
340.09534	15.5
352.09586	11.1
353.10455	9.1
355.11844	11.6
365.10361	8.0
367.11798	13.1
368.08939	19.2
368.12827	2.1
381.13248	1.6
383.11362	100.0
398.13617	23.3
413.16052	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1384
Annotation	Antibiotic CL 1565B
Peak:m/z	Relative Intensity
59.01368	0.7
61.01431	0.5
67.10146	0.4
78.95876	1.8
79.95770	0.6
80.65870	0.5
80.86179	0.5
91.05523	0.9
96.95998	100.0
96.96887	5.6
101.96207	0.4
104.58080	0.5
109.56773	0.5
124.48412	0.4
124.97807	0.4
126.59672	0.5
131.30458	0.5
137.72400	0.5
140.67332	0.4
163.04013	0.6
196.32455	0.5
299.80585	0.5
365.07004	0.5
413.14243	0.7
413.18753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02403	0.4
54.06276	0.4
59.01379	11.5
59.03715	0.4
60.30117	0.4
65.84438	0.4
70.20737	0.5
71.01365	3.0
73.02920	0.7
74.15210	0.5
78.79655	0.5
79.95728	55.1
79.99529	0.5
80.96503	12.3
83.01406	0.6
83.09639	0.4
85.02914	1.8
89.02427	0.6
101.02422	5.5
113.02440	1.8
119.03526	0.5
149.02457	3.3
149.06023	1.7
165.09225	0.7
189.05663	0.6
192.12282	0.5
198.91628	0.5
204.08900	0.6
228.86995	0.5
233.08586	2.9
251.09462	1.9
253.41820	0.5
258.08731	0.5
287.13095	0.5
413.14862	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	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11721	0.6
53.65142	0.6
57.93007	0.6
59.40785	0.6
60.88107	0.6
61.52297	0.7
72.15862	0.7
86.69764	0.7
96.06208	0.6
105.01935	1.3
119.05003	60.2
163.03992	100.0
251.05721	1.1
325.09421	5.3
413.10886	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	413.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78802	1.5
57.70954	1.5
59.01360	9.1
59.99481	1.7
71.01371	40.3
87.00816	3.4
88.04005	12.9
92.05025	3.7
96.95988	26.8
101.12366	1.8
110.55074	2.1
115.00346	47.1
116.05029	3.9
117.04569	9.1
121.04332	2.1
123.04453	2.7
132.03001	5.0
132.04495	4.2
135.05624	40.4
136.04010	4.2
137.80379	1.8
144.04514	9.8
145.04048	9.2
145.05220	2.9
159.05632	24.7
160.03987	10.4
162.59019	2.3
165.05504	4.6
169.07607	2.7
169.29646	1.9
175.05138	7.1
177.06664	51.2
178.05048	3.9
187.08813	14.4
197.43221	1.9
207.07758	16.4
249.08775	2.5
251.06715	11.1
261.09558	2.4
293.07736	21.1
301.29355	2.0
323.08725	13.7
408.27951	2.3
413.07397	6.3
413.11951	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	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92023	0.7
65.91895	0.7
87.00848	6.3
102.53149	0.8
105.01926	8.7
107.78135	0.8
119.04179	1.7
119.05003	45.7
132.99001	0.8
145.02904	6.5
163.03995	100.0
251.05656	1.9
303.73154	0.8
325.09073	1.2
376.49323	0.9
413.10886	38.1
426.68295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75062	1.9
58.17730	1.9
58.82685	1.6
59.62809	1.6
60.49043	2.0
65.15075	1.6
157.51221	2.2
224.16550	100.0
279.64651	2.1
279.68665	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	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.5
71.01359	5.5
85.02934	12.7
87.00842	2.7
90.98773	1.3
91.25494	1.0
101.02469	2.7
111.00856	6.4
113.02415	1.5
121.06570	94.6
145.06285	1.9
147.04507	12.8
160.80609	1.3
165.05542	100.0
168.00746	1.4
201.16772	1.2
277.47626	1.2
332.43167	1.2
369.11899	25.7
413.14828	2.8
413.22458	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	412.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09617	0.9
59.01377	2.0
71.01366	6.3
73.02941	2.2
73.98307	1.0
74.99085	7.4
79.70227	0.9
83.13452	0.9
85.02922	1.6
86.36220	0.9
87.00870	4.4
87.88937	1.1
101.02435	15.9
103.20334	0.9
106.70586	1.1
110.86945	0.9
113.00187	1.0
113.02457	3.5
115.40505	0.9
120.99663	3.6
161.04520	9.0
161.12372	1.0
162.03777	8.1
204.04929	1.2
232.04413	1.5
290.79895	1.1
412.10751	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	412.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78447	0.9
63.31973	0.9
68.59885	0.9
69.97153	0.9
82.06622	1.0
84.08190	4.7
95.03717	1.0
106.30357	0.9
108.04535	1.9
116.19649	1.0
119.29797	0.9
125.78925	0.9
130.06613	2.1
130.08725	6.6
142.06653	1.7
155.26147	1.2
156.08186	4.7
158.09702	12.0
166.12335	10.2
210.11237	1.8
210.12965	1.7
288.27023	0.9
296.94907	1.1
368.27109	5.7
384.22827	1.6
412.26086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66568	11.9
56.34249	12.8
59.01366	100.0
84.29169	15.5
85.43899	16.9
86.65454	15.6
89.22607	16.5
94.44283	15.4
139.95755	17.2
163.12453	14.3
209.76140	14.1
251.72723	20.7
271.13028	17.9
353.74854	23.0
363.77490	19.4
408.62091	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	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36602	1.2
59.01379	100.0
117.01923	1.6
216.01221	1.6
297.23361	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33973	0.8
55.96106	0.8
59.01378	100.0
67.68004	0.8
71.01374	5.5
73.02947	1.4
85.02951	1.4
92.19392	1.9
101.02450	3.7
102.98576	2.2
113.02425	3.5
171.16458	0.9
193.09601	1.0
255.83775	0.9
411.11932	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	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33925	2.6
59.01379	100.0
66.43706	2.7
69.22561	2.5
71.01375	20.1
73.02943	33.7
74.12981	2.3
83.01402	2.6
89.02444	12.3
92.19906	2.9
101.02420	30.1
113.02440	13.6
131.03529	3.5
137.09615	4.4
139.59915	2.5
161.04541	4.7
212.79942	3.1
235.68040	3.3
252.16489	3.0
275.05554	2.8
407.04541	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46157	1.3
57.41439	1.1
59.01377	100.0
66.26602	1.2
82.04101	38.2
82.12668	1.2
100.00391	1.8
118.05091	5.0
122.74847	1.2
136.43925	1.2
143.93947	1.2
144.03040	1.8
155.07101	6.0
194.77754	1.3
195.12520	21.3
351.20398	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30701	0.3
61.53930	0.3
61.54809	0.4
71.36234	0.4
104.20533	0.4
117.98945	0.4
135.04514	12.4
147.21907	0.4
197.86282	0.4
207.11345	1.5
210.60231	0.4
221.65881	0.4
249.12445	100.0
288.93140	0.4
399.24619	0.4
411.17722	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	411.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53602	0.3
64.34406	0.3
94.14220	0.3
105.53665	0.4
129.67772	0.3
135.04515	12.7
205.12598	0.4
207.11398	2.3
249.12442	100.0
335.48224	0.4
411.17758	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	411.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89663	0.2
59.67447	0.2
84.24665	0.3
135.04512	13.2
147.17159	0.3
207.11374	1.3
249.12447	100.0
378.87180	0.3
411.17703	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77430	0.7
57.03451	0.9
59.01083	1.8
59.01378	45.2
68.90881	0.7
71.01376	23.1
73.02942	6.1
74.99049	1.3
77.90095	0.7
83.01382	1.4
85.02930	5.7
87.00854	4.9
89.02431	26.3
99.00883	1.0
99.21294	0.8
101.02429	22.4
102.98556	1.2
113.02455	15.3
119.03498	9.4
123.04484	3.1
131.03484	1.0
143.08965	1.4
159.03090	0.9
161.04520	3.5
161.10023	11.6
186.99640	0.9
220.72154	0.9
289.16776	0.9
293.52823	0.9
297.12482	0.8
301.50650	0.9
303.06027	0.7
323.15448	1.5
411.16956	100.0
430.59714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78116	0.4
52.26819	0.3
59.01372	2.6
59.99878	0.3
67.08971	0.3
71.01368	2.0
73.02922	0.5
75.00858	1.9
77.65567	0.3
85.02926	3.6
87.00849	0.7
96.81824	0.4
96.95994	2.9
96.96952	0.7
99.00861	0.6
100.00407	1.9
101.02409	0.9
106.91260	0.4
113.02425	2.9
118.05071	2.2
121.67202	0.4
135.04504	15.4
137.02531	0.6
137.14209	0.4
207.11357	1.9
222.24144	0.4
241.85992	0.4
249.12425	100.0
300.59818	0.4
353.35089	0.5
377.67181	0.4
409.52521	0.5
411.17612	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	411.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
57.03461	1.2
59.01375	29.2
60.10494	1.0
66.23367	0.9
71.01377	25.5
73.02936	11.4
78.19517	1.1
82.95696	1.2
83.01369	4.4
85.02946	17.6
87.00821	1.3
89.02448	6.1
95.01379	2.8
96.95979	1.7
99.00866	1.4
101.02428	31.9
113.02428	14.5
125.02462	1.2
129.01920	1.4
135.04536	15.0
143.32413	1.1
159.08121	2.7
161.04526	9.6
177.09253	4.8
190.96695	1.1
207.08748	14.0
248.11714	2.2
249.12436	100.0
351.13138	1.4
369.14023	25.6
411.14868	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52810	1.0
57.03440	8.3
59.01379	100.0
71.01374	21.8
72.23512	1.1
73.02936	23.1
74.24850	1.1
75.00577	1.2
83.01382	5.2
83.05008	11.1
84.94758	1.3
85.02950	7.4
87.00857	1.7
89.02430	8.1
93.42392	1.1
95.01369	1.2
98.26582	1.2
99.00873	1.4
99.04493	2.5
100.08578	1.1
101.02431	16.9
113.02426	9.1
119.03480	1.7
133.42117	1.2
145.10197	2.3
148.08992	1.3
154.95206	1.2
161.04482	2.6
161.09773	2.1
163.11282	34.9
207.10236	1.6
325.16895	1.4
351.21799	1.8
369.19019	1.9
369.22922	4.4
411.16248	25.3
411.24500	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	411.1271
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.19978	1.1
57.75984	1.0
62.44599	1.1
71.92330	1.3
72.00903	24.7
74.02463	24.7
80.43745	1.1
92.19320	1.5
100.00394	67.0
100.04035	2.4
114.56322	1.5
118.05091	100.0
127.27306	1.2
144.03011	28.6
160.02631	3.2
162.08522	1.7
243.48286	1.2
249.12459	2.5
315.35931	1.3
411.12677	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	411.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50506	0.9
59.01382	8.9
68.92018	1.4
72.81853	1.1
82.55612	1.0
87.00877	1.8
89.22525	1.3
90.56359	1.2
97.06525	1.0
119.05010	100.0
121.02935	4.3
122.03665	1.4
127.05106	1.6
142.51859	1.1
163.03999	66.3
170.11819	5.9
199.98573	1.2
202.19972	1.1
225.09128	1.8
291.08792	1.6
351.10840	13.6
367.10187	4.5
398.70142	1.2
411.21063	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	411.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.0
61.23877	0.5
70.81612	0.5
71.01366	1.3
73.02937	3.5
83.01358	0.7
87.00848	0.6
101.02436	2.8
113.02438	0.5
119.05000	100.0
120.99644	1.1
154.71550	0.6
163.03992	31.4
188.86723	0.7
256.97330	0.7
311.10748	0.6
351.20114	2.4
367.10291	8.2
411.12820	0.8
414.33002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00865	9.1
78.03543	4.3
79.63026	4.7
89.02397	6.8
92.77681	4.7
96.99293	30.0
99.00858	41.5
111.00859	8.8
124.01628	30.7
135.02986	25.1
139.03989	29.3
142.99850	19.9
145.02936	7.9
145.50766	5.0
150.03200	7.1
151.03993	19.7
152.01169	11.4
159.02992	34.9
159.04228	5.2
161.02443	40.7
162.03255	9.6
164.01160	21.3
167.03479	21.6
173.00983	4.9
173.02417	10.5
174.03233	85.3
175.03996	23.5
176.01207	7.8
177.01923	6.5
184.81271	5.0
186.03091	6.6
187.03958	9.1
189.01915	19.9
190.02722	100.0
191.03450	5.1
199.04063	6.0
201.01918	9.0
202.02708	8.5
203.03506	8.6
204.04333	5.9
205.05113	55.6
218.02260	7.1
218.05759	6.4
231.03012	24.6
232.03656	6.2
233.04424	7.1
237.04056	80.2
249.04085	9.4
279.35358	5.0
289.03473	30.5
349.05695	35.5
411.05615	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08704	11.3
70.39920	11.6
73.34692	13.7
96.10214	12.5
99.92590	57.0
103.60748	13.3
118.89965	90.2
135.90102	15.5
166.23416	13.0
380.01233	14.2
410.09552	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	410.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	23.3
60.01699	1.1
61.98826	100.0
71.01381	3.2
73.02932	4.8
81.03467	0.8
89.02422	1.5
101.02436	6.1
113.02414	1.7
121.74390	0.9
139.56824	0.8
161.04536	1.7
171.76953	0.8
199.86372	1.2
221.06717	0.9
238.79225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
135.04515	100.0
168.68109	0.8
248.09270	45.1
260.04022	0.6
265.19861	0.7
342.46625	0.6
410.14548	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33760	0.8
55.20411	0.9
59.01378	100.0
65.81341	0.8
70.38288	0.8
71.01364	1.0
73.55772	0.8
75.69806	0.8
82.57658	0.9
86.54328	0.9
113.02415	1.1
135.95438	1.0
148.19756	0.9
149.59299	1.0
207.73727	0.9
246.48334	1.0
273.28683	0.8
283.08658	1.0
307.17856	1.0
310.85684	1.1
333.39209	1.1
349.18646	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54620	0.6
55.09897	0.5
59.01377	100.0
63.72925	0.6
68.08571	0.6
71.01363	0.6
79.36826	0.6
80.70045	0.6
87.00893	0.7
89.02425	2.7
261.11386	0.7
349.18658	3.0
409.18439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15193	4.5
60.52127	5.2
61.08001	4.9
61.85517	5.4
82.40321	5.5
84.74593	5.4
99.92569	58.0
116.92857	6.5
118.89954	93.3
134.89479	6.0
135.90236	34.9
155.89667	5.6
220.17934	5.9
299.41122	5.7
374.02521	7.0
410.09567	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	408.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
91.95826	8.8
105.38079	9.2
216.18884	9.7
275.89752	9.3
299.96442	10.2
311.71741	9.8
376.99661	11.1
380.22620	23.6
408.25790	100.0
434.13434	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	409.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98127	1.3
51.79124	1.4
54.04625	1.3
56.98028	3.0
57.03444	13.4
59.01370	37.8
71.01378	13.5
73.02940	7.9
74.68483	1.6
74.99094	3.8
80.54937	1.6
83.01393	1.7
85.02936	100.0
87.00858	36.2
88.54610	1.5
89.02420	3.7
93.66547	1.7
94.46950	1.4
99.00840	1.8
101.02425	15.7
102.00253	2.0
111.00869	56.5
113.02413	7.5
115.59798	1.7
118.98062	4.0
126.28272	1.7
129.01930	12.5
160.97871	1.5
179.00169	2.8
187.07898	7.3
235.10002	2.0
235.11882	22.0
262.74884	1.8
302.95624	1.8
305.10565	1.7
349.18558	1.7
361.34927	1.8
365.14789	12.0
409.20453	7.6
429.41016	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	409.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.2
59.01374	69.9
64.25503	4.1
67.98091	3.4
71.01375	63.0
73.02932	20.3
81.23076	3.5
83.01371	9.0
85.02925	23.9
87.00862	7.6
89.02435	52.6
99.00907	5.2
101.02431	73.7
113.02424	41.2
119.03474	10.0
131.03471	8.2
152.23373	3.8
161.04576	20.0
179.05661	8.3
187.03369	4.6
221.06627	18.3
233.97871	3.9
390.61624	4.5
396.62357	5.4
409.17068	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	408.151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47161	0.8
59.96425	0.7
61.98827	100.0
106.87373	0.9
269.98083	1.0
345.15594	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	408.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27629	1.2
56.82482	1.2
59.05205	1.1
73.02941	21.2
78.68090	1.4
78.86757	1.3
83.05017	6.3
85.02937	5.8
91.76712	1.2
93.02884	2.8
93.03439	50.3
96.81627	1.4
99.00842	8.9
99.04489	7.5
101.02408	1.6
111.04495	32.8
129.01907	2.2
137.02426	23.4
143.03461	2.0
149.80029	1.4
155.03490	16.2
157.18163	1.6
166.25299	1.7
173.04532	100.0
175.06039	1.7
202.08827	1.5
261.09726	1.4
319.29913	1.5
349.11444	7.0
423.31790	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	408.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89626	1.1
64.00677	1.3
73.02935	21.1
73.07379	1.3
81.03445	1.9
83.05010	2.4
93.03440	49.1
99.00854	9.5
99.04520	6.4
101.02439	1.5
111.04522	29.7
129.01909	5.6
137.02399	17.9
143.03540	3.1
155.03491	16.0
173.04538	100.0
175.06125	3.0
349.11398	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	408.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28373	1.1
57.07222	1.2
62.03962	1.3
65.99841	79.6
67.27428	1.1
69.81354	1.3
93.70388	1.3
98.30372	1.2
101.02409	9.6
109.02905	1.4
112.04025	77.7
121.02933	12.4
135.45389	1.5
137.02431	100.0
143.31383	1.5
145.01419	2.0
149.02431	74.5
216.03015	36.0
219.03087	3.1
220.64516	1.5
242.04384	2.2
262.07181	45.3
286.03528	2.0
289.68201	1.4
376.06711	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.90628	0.8
71.01353	1.8
78.08054	0.7
101.02432	1.5
113.02551	1.0
119.03478	1.4
131.00517	0.9
165.05473	1.2
174.87294	1.1
203.80688	0.8
347.17004	3.6
359.11072	1.2
407.13672	1.4
407.18970	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	407.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28229	1.0
59.01375	100.0
86.46127	1.3
100.66228	1.4
154.13855	1.4
195.04457	1.3
266.24030	1.4
271.93015	1.4
345.74063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26550	0.9
57.13390	1.1
59.01378	100.0
60.69920	1.2
66.96702	1.0
97.19583	1.1
105.51912	1.2
149.44031	1.1
235.42790	1.1
238.13603	1.3
347.17181	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79845	6.2
59.01115	5.2
59.01370	54.4
75.92596	5.8
87.74794	6.2
92.19292	11.7
125.53898	5.7
125.62654	7.2
128.03503	39.5
141.16582	7.0
143.08249	7.6
173.13353	25.4
201.01379	6.4
216.13885	8.6
226.59918	6.5
407.17596	27.6
407.21756	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	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
71.01376	3.2
73.02922	1.8
75.00858	0.7
77.99635	0.7
89.02396	1.0
94.99593	0.8
101.02433	3.5
113.02433	1.6
117.52055	0.8
121.19099	0.7
347.17157	6.6
365.17834	1.6
393.38269	0.9
407.19208	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
71.01347	1.0
74.25377	1.0
89.02423	1.2
93.05507	0.9
101.02454	1.3
113.02391	1.1
143.57382	0.9
305.16156	1.3
347.17062	4.9
407.19125	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	407.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29294	0.8
54.38350	0.8
59.01378	100.0
66.16581	0.8
71.43102	0.9
73.14334	1.1
77.54482	0.9
114.85585	0.9
143.03857	1.7
143.05008	51.7
166.58907	0.9
182.02173	4.0
185.77649	1.0
195.98317	0.9
197.04488	5.4
221.06862	1.0
257.25064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.31862	1.8
57.03435	1.9
59.01084	3.6
59.01378	100.0
71.01365	18.0
73.02935	4.7
75.00848	2.2
85.02929	8.4
87.00880	2.9
89.02428	7.9
99.00864	15.1
101.02412	14.8
102.98562	3.7
113.02419	9.2
119.03432	3.3
125.09710	3.1
133.06552	2.0
139.11278	8.5
141.09154	2.3
147.08171	2.1
149.09702	94.9
151.06123	3.5
151.07668	2.4
161.04465	2.0
165.09152	4.4
167.10785	2.8
175.02579	2.0
177.05574	3.4
183.10242	12.9
192.63185	1.9
193.08696	33.5
203.09409	2.2
203.12798	2.6
213.07605	8.3
237.07671	49.1
245.10194	2.1
267.79642	2.0
270.40421	1.9
347.13281	2.3
347.17047	10.6
363.16623	2.4
407.14969	28.8
407.19965	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	407.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27275	1.6
54.27719	1.4
56.94563	1.4
59.01368	3.2
92.19992	2.4
122.03711	2.4
149.02412	72.4
149.38350	1.7
150.01974	2.3
150.03204	70.3
164.04790	36.3
165.05557	100.0
165.06950	3.3
180.04254	8.4
193.08717	4.3
195.06613	41.5
196.07419	2.5
211.09735	7.0
244.14746	1.7
300.99545	2.0
344.12573	18.7
345.09714	2.7
359.14960	67.3
407.17175	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	407.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82144	1.8
57.51592	1.4
59.01365	8.2
60.57410	1.5
65.33534	1.5
66.40110	1.4
70.72121	1.4
71.01379	2.1
73.01137	1.7
73.02914	2.3
74.99090	3.3
85.01167	2.4
85.02926	8.6
129.05623	2.0
132.13997	1.8
134.03717	3.7
139.07594	2.2
149.06027	11.9
162.03554	3.5
173.08179	20.7
203.09233	8.8
241.09010	8.5
243.12267	2.8
277.11185	48.5
294.51486	1.6
370.77975	1.7
394.34579	1.9
407.17502	100.0
434.90622	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	407.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52694	8.4
59.01366	21.4
59.30379	9.1
69.60942	7.9
72.99284	83.3
91.66801	9.6
97.28699	9.0
117.07082	11.7
133.91393	10.0
161.06104	14.1
217.15874	12.8
223.92293	9.7
229.15903	46.1
245.15540	13.1
271.13223	15.0
279.15967	10.4
319.15433	11.0
351.14648	87.8
363.14368	14.5
407.13461	100.0
407.21680	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1653
Annotation	MK-2206
Peak:m/z	Relative Intensity
58.02964	6.7
59.01373	8.0
61.62714	1.4
61.98825	1.8
62.00525	1.4
65.63634	1.3
69.08088	1.4
74.02465	19.9
83.71760	1.3
86.02466	8.3
86.06081	1.9
97.04041	1.5
99.05643	21.4
100.04182	1.5
101.07198	1.7
102.05598	1.5
111.05536	1.3
112.04031	2.2
125.03519	2.1
127.05119	2.8
128.03517	55.5
133.06935	14.7
135.05597	7.4
141.06749	3.2
143.04604	81.5
145.06075	2.1
146.04599	3.7
153.06720	6.4
155.08289	2.5
166.09850	2.2
167.04648	5.2
167.08228	3.3
179.04633	9.3
181.06186	2.7
192.07602	2.0
208.50018	1.7
210.08835	10.4
250.22029	1.6
254.07991	12.2
272.08929	18.2
388.15610	8.8
406.16583	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	405.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85646	2.8
53.27021	2.4
53.29166	2.5
53.42999	3.0
54.49021	2.9
59.01379	100.0
60.26266	2.5
61.69063	2.8
61.90630	2.7
61.98797	3.2
62.24442	2.4
64.77850	2.7
132.48669	3.1
148.60760	3.9
353.56168	3.0
413.25986	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	405.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29853	3.1
51.48294	3.4
52.07303	3.1
56.17122	3.1
59.01377	100.0
77.59845	3.7
84.22169	3.5
90.39328	4.0
98.38433	3.6
128.46738	3.8
134.41893	3.6
195.52078	4.4
337.33878	3.9
370.34940	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	405.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63514	1.2
57.89341	1.2
59.01376	100.0
69.90320	1.1
95.54941	1.2
95.91029	1.4
109.49146	1.2
147.25423	1.1
171.06215	1.1
190.43486	1.1
192.31067	1.3
194.29718	1.4
256.97519	1.3
322.65094	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94007	1.0
59.01374	100.0
65.15891	1.0
65.46102	1.0
70.91618	1.0
83.70985	1.3
99.17374	1.0
116.14474	1.1
141.93404	1.3
194.91873	1.2
373.62433	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	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	77.8
72.61618	75.8
77.07311	92.6
83.07262	82.5
83.47472	81.9
96.81001	92.7
97.91475	85.6
101.87312	85.8
105.49966	98.6
118.83028	85.9
130.90866	98.9
156.92604	100.0
180.10501	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	18.5
61.98837	9.6
62.55366	3.9
68.26035	3.8
80.96525	6.2
85.02937	5.2
85.22072	4.3
92.19429	5.7
93.78228	4.1
101.02444	3.8
113.02464	4.0
141.61012	3.9
204.80385	3.8
243.19604	31.1
305.21265	4.9
330.97125	4.2
336.09518	3.7
405.19708	8.4
405.24814	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	405.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	24.4
61.98834	1.9
64.00578	1.2
66.12116	1.4
73.02927	10.4
83.05037	1.7
87.04533	1.9
90.72000	1.4
99.08130	6.5
111.08173	1.6
121.63357	1.4
123.08107	2.1
129.09193	27.5
139.07643	3.3
139.11244	5.9
141.09210	6.6
148.99783	1.4
151.11252	4.7
167.10760	5.8
169.12326	2.9
169.50800	1.6
187.85007	1.3
247.20676	2.7
299.22400	9.6
317.23227	1.7
345.22778	13.0
361.22397	2.8
363.23892	99.0
363.28427	3.4
405.19888	3.4
405.25006	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	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.62012	0.7
63.09924	0.7
66.54031	0.7
71.34406	0.7
80.43324	0.8
91.77299	0.8
101.19790	0.8
123.25411	0.9
275.55737	0.9
313.39880	0.8
375.55716	0.8
399.55798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99681	62.6
59.31234	78.5
60.28818	83.7
72.71994	77.8
98.84900	89.5
109.06968	95.4
295.40582	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	405.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00597	2.8
57.13349	2.4
59.01382	33.5
61.98806	5.6
74.23891	2.6
78.95912	4.2
85.02926	5.3
86.54375	2.6
88.42776	2.9
109.83921	2.7
122.69489	3.0
129.09238	5.5
157.08774	3.1
163.03937	3.5
178.02687	4.3
193.05118	3.9
225.11415	3.6
242.85440	3.4
273.20721	13.0
294.79218	3.1
301.20218	100.0
319.21252	62.4
334.42514	3.1
345.22681	3.6
361.22324	52.8
405.15439	4.2
405.24960	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	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33720	1.0
59.01375	100.0
59.23742	0.9
66.78559	1.0
67.01939	1.0
71.01366	1.2
77.90300	1.0
89.36703	1.0
122.36045	1.2
139.94427	1.1
150.92958	1.2
195.38060	1.1
234.63544	1.2
237.45833	1.0
320.97882	1.1
337.57117	1.2
394.53119	1.2
405.20822	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	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.98335	1.8
57.03453	1.6
59.01376	67.3
60.29175	1.7
61.98827	3.0
63.28394	1.8
71.01374	31.2
85.02930	8.7
87.00892	1.8
89.02422	30.6
101.02439	20.9
107.11308	1.8
113.02422	13.0
119.03487	8.3
153.05524	3.5
153.12843	7.9
176.01115	2.5
193.01292	4.1
199.13269	3.6
207.06581	10.7
208.03745	15.3
223.06194	11.4
223.13400	2.5
225.14882	3.2
301.20193	1.9
319.21262	3.3
361.22369	3.0
405.15460	32.8
405.21237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	38.7
61.98841	4.4
71.01363	15.6
73.02917	4.4
74.61021	2.2
85.02914	4.5
87.00858	3.5
89.02419	10.0
96.95942	2.7
101.02419	6.2
113.02415	5.7
115.03981	3.5
115.05748	3.0
119.03435	4.5
142.24489	2.5
158.83461	2.5
163.11263	5.4
167.10753	3.5
181.12317	42.9
197.11836	13.6
211.73999	2.6
225.11357	21.9
227.24400	2.9
241.44595	2.5
243.12431	29.7
285.13232	3.8
301.20181	23.5
312.06747	3.2
312.10120	14.2
319.21222	18.8
327.12390	11.5
345.22757	9.5
357.13586	3.1
361.22333	16.5
363.23273	11.6
375.14612	4.3
405.17526	100.0
405.24557	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	405.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60200	1.3
52.07952	1.2
52.55845	1.2
55.01863	1.7
55.12051	1.2
59.01379	100.0
65.14866	1.3
71.01377	15.8
73.02935	19.2
78.91901	2.0
83.01366	5.6
85.02929	8.7
89.02424	8.9
99.00883	1.7
101.02436	22.6
102.17752	1.3
113.02425	9.1
119.03453	2.0
139.11288	1.7
161.04434	1.8
165.09198	1.8
171.90645	1.5
183.10277	11.1
201.11218	2.2
308.41687	1.6
345.15466	6.9
361.14957	11.1
363.16583	14.9
381.21072	1.5
405.13773	3.1
405.17706	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1557
Annotation	Icariol A1
Peak:m/z	Relative Intensity
58.87985	2.1
59.01363	15.3
61.98835	17.5
71.04047	2.5
73.74516	2.3
75.24480	2.4
78.69152	2.6
83.58864	2.5
96.91491	2.3
104.70925	2.4
122.03749	4.0
130.08708	5.0
149.02420	35.5
150.03206	89.7
164.04776	15.3
165.05545	100.0
172.09677	3.2
175.07553	2.9
176.04781	5.0
179.03419	5.7
180.04327	5.0
194.05818	12.7
195.06619	53.1
209.08217	20.2
209.79559	2.4
301.20142	6.0
319.21320	13.1
342.19003	3.8
357.13467	36.1
361.22226	10.5
405.24918	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30933	1.2
59.01377	91.1
62.79040	1.3
69.77014	1.4
71.01367	13.4
73.02935	97.5
85.02935	5.1
89.02419	9.1
95.26974	1.4
98.96716	1.3
101.02456	16.8
109.06610	1.7
111.11288	1.2
113.02402	11.2
119.03507	1.6
121.10197	1.7
161.04646	2.3
169.56177	1.3
176.80847	1.2
183.10193	5.8
363.16586	2.1
405.17624	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	405.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10168	1.1
59.01373	4.7
60.34510	1.2
71.01373	2.3
73.02934	1.2
83.83495	1.3
92.20132	1.2
93.03436	6.8
105.68134	1.3
113.02477	1.3
117.03440	19.9
133.21265	1.3
155.04980	4.8
159.04517	10.4
161.02388	2.0
163.05008	1.2
175.04002	1.7
199.04004	40.2
201.01958	1.8
203.03432	5.7
212.89053	1.3
223.03993	5.9
241.05066	5.1
243.02954	86.7
256.49948	1.3
267.03000	17.0
269.00931	5.5
285.04047	29.7
311.02023	9.7
363.20398	1.6
365.19086	1.2
405.06134	100.0
405.21112	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	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96463	3.1
57.55893	2.9
58.92781	3.4
61.98828	100.0
66.77402	3.5
70.17121	3.6
70.44884	3.6
109.10641	3.9
153.41605	3.1
188.88113	4.0
211.66171	3.6
235.63033	3.4
268.96875	3.8
388.51428	3.6
425.59003	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	404.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95515	11.2
61.98832	100.0
64.63599	12.2
64.94988	10.0
70.21259	11.2
70.71169	11.0
83.29153	11.4
92.19424	24.9
102.18925	14.8
108.56159	13.5
110.75845	11.9
129.80798	12.7
147.85321	15.5
183.74368	13.5
224.29288	13.1
254.72859	12.3
271.42355	13.3
281.78818	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	404.083
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	22.8
62.89295	0.9
63.60935	0.8
70.36716	0.9
73.02986	1.2
76.89431	1.0
87.00865	1.5
93.05685	1.0
95.54724	1.0
135.04521	16.7
161.02425	100.0
161.04567	4.4
179.03481	38.5
179.05547	6.6
198.13687	1.0
341.08780	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54128	0.5
54.11141	0.6
59.95422	0.6
61.98830	100.0
62.42826	0.5
63.96934	0.6
73.52129	0.7
115.83059	0.8
344.11673	1.1
404.10260	3.1
406.47083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15043	0.5
61.98827	100.0
96.05731	0.6
145.61751	0.6
149.04636	0.6
180.40094	0.6
185.68349	0.6
222.85194	0.7
404.10568	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	404.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16937	1.1
58.58485	1.1
58.65338	1.1
59.01374	2.4
61.98827	100.0
63.01950	1.1
68.35292	1.1
71.01377	1.6
87.00877	1.8
94.97134	1.4
107.91476	1.4
114.71215	1.4
123.00847	1.6
135.04504	16.1
138.03168	1.8
139.03569	2.5
161.02426	79.0
161.04478	3.9
179.03479	31.7
179.05695	2.7
183.02325	1.3
189.47607	1.2
202.24855	1.2
341.08777	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49858	2.8
62.61353	2.9
75.79620	3.1
85.54353	3.4
88.84759	4.6
98.25224	3.5
114.13961	3.6
122.81165	3.6
157.12271	4.7
215.12877	15.7
227.16795	4.3
270.54694	4.3
301.79712	3.7
385.29688	4.0
401.29001	18.2
403.30664	100.0
411.95575	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	403.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83649	1.0
59.01381	100.0
65.50268	1.0
83.30647	1.2
84.48051	1.3
126.64577	1.3
161.58041	1.3
221.15475	1.3
221.89061	1.2
236.10506	1.8
350.76926	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	403.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50214	3.9
55.24364	4.1
58.83538	3.1
61.17990	3.7
69.97810	3.5
91.03997	8.2
127.11296	4.2
139.11278	16.8
171.10254	39.7
211.13393	38.1
229.14484	21.8
311.22311	7.2
329.23340	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	403.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09219	1.5
54.39596	1.4
54.72816	1.4
59.01380	6.7
65.97748	1.7
73.38863	1.5
78.95893	16.0
79.94655	1.5
82.25946	1.4
89.02399	2.1
91.03982	7.4
99.08156	6.7
113.44072	1.8
127.11277	7.2
139.11266	17.8
155.92191	1.9
162.71080	1.7
167.01068	3.0
167.42551	1.6
171.10260	46.2
172.25031	1.5
183.13921	3.7
184.77840	1.8
197.02229	14.5
211.13409	38.6
225.77708	1.7
228.15712	1.7
229.14449	19.2
293.21262	3.1
311.22260	7.5
324.38513	1.7
329.23361	100.0
403.18942	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	403.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.80112	0.7
69.06420	0.8
75.93804	0.8
84.22686	0.8
88.26878	0.9
91.50861	0.9
182.53061	0.8
287.19580	0.9
403.30530	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	403.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00864	0.9
54.96014	0.9
55.86628	0.9
57.03443	1.5
58.00578	1.7
59.01376	23.3
63.77701	1.1
70.46730	1.0
73.02934	23.0
83.05041	1.5
84.57326	1.0
87.04494	1.2
101.06042	2.2
109.06562	2.1
111.08131	6.7
121.10214	4.9
123.08148	6.2
139.07643	12.9
141.09171	11.3
155.10742	1.6
203.09285	4.7
233.55814	1.0
325.05212	1.1
343.21246	15.2
360.05801	1.1
361.22336	88.4
403.23383	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	403.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84465	3.9
56.18993	3.3
59.01371	35.0
62.70909	4.2
64.19400	3.7
92.67581	4.8
97.06567	6.0
98.16875	4.4
105.01934	7.0
113.09710	8.6
163.72089	4.1
170.60739	4.4
171.49646	4.3
217.15953	22.1
221.15512	19.4
231.17557	23.1
259.16977	5.1
303.23267	27.3
321.24344	100.0
343.22583	61.2
403.24869	75.5
410.72272	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	403.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93431	0.7
57.03435	1.8
58.00586	3.1
59.01084	1.0
59.01377	20.1
69.03452	0.9
71.05003	1.2
73.02941	15.4
77.46525	0.9
85.06571	1.4
87.45538	0.8
95.05027	1.3
99.04472	1.0
101.06066	6.8
109.06558	1.0
111.08186	5.8
115.07693	1.4
121.10221	11.1
123.08147	3.7
135.11856	1.0
139.07645	8.3
139.11221	1.0
141.09177	8.4
151.11328	1.1
173.08195	1.4
179.10909	0.9
203.09274	4.9
245.19084	1.8
289.16492	0.9
343.21313	16.1
361.22333	79.5
403.23358	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	403.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.6
59.01375	26.5
61.01820	1.2
69.03457	2.7
69.74290	1.2
73.02939	2.5
87.04486	4.8
89.99342	1.2
93.85435	1.0
99.08130	5.9
108.05780	1.5
109.06544	2.0
111.08155	8.7
122.42024	1.2
127.07646	4.7
129.09215	9.5
139.00368	1.6
139.11259	1.9
141.09135	2.2
151.11282	21.1
161.40044	1.3
163.11211	8.6
173.08192	19.9
187.13387	2.3
193.05109	1.9
203.64752	1.4
225.11356	2.9
261.13354	2.4
264.38141	1.1
266.39545	1.3
296.15344	1.7
328.09586	2.9
343.08231	1.7
343.11713	3.7
343.21127	10.1
361.22311	66.9
373.09387	1.8
403.14725	13.4
403.23367	100.0
429.81570	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	403.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68673	60.4
60.13637	57.7
64.65637	60.8
69.63153	59.9
72.69810	70.0
92.19279	100.0
112.74579	65.3
116.64487	64.3
154.75972	70.8
160.88596	70.9
176.82600	67.3
242.29460	62.7
370.52759	76.6
428.55106	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72092	1.6
51.92480	1.5
55.35175	1.6
59.01373	25.4
61.98815	8.3
68.79942	2.0
73.02931	11.7
79.50034	1.5
87.04523	3.5
99.08160	4.3
104.32890	1.9
109.06608	2.3
111.08126	8.0
113.57108	1.8
116.85762	1.7
127.07667	7.5
128.95932	1.7
130.92140	2.1
139.07634	2.9
141.09192	9.3
148.17569	1.7
151.11322	6.9
155.10788	11.6
167.10773	4.2
168.47873	2.0
186.21556	2.0
273.08734	2.0
325.20285	4.1
343.21283	28.5
361.18787	2.5
361.22342	93.8
403.23401	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	403.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67742	72.4
54.23262	61.8
55.43452	56.8
56.53992	69.6
65.08294	58.6
78.67417	59.0
78.85642	62.5
82.06188	59.9
89.32956	60.0
92.19406	100.0
101.13161	68.9
152.36711	62.4
218.41502	65.5
233.12459	72.9
330.26016	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45391	1.3
53.63231	1.3
59.01363	2.0
61.76601	1.8
63.49073	1.4
71.02509	7.3
73.04061	20.2
84.00877	3.1
85.04076	2.7
93.33415	1.8
103.05131	72.9
111.02009	2.3
112.07613	2.1
116.07168	74.1
117.42902	1.7
124.58384	1.8
125.07129	2.2
127.08821	3.7
127.68609	1.8
129.10316	38.1
138.05606	7.0
155.08238	22.3
172.10851	4.3
173.09340	22.9
186.12497	7.2
228.17159	97.4
238.15689	6.6
242.11530	13.3
285.19305	32.5
329.18222	15.9
359.19397	91.6
403.21991	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	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33300	49.1
54.01761	47.1
59.01371	100.0
62.16804	57.5
62.29275	57.9
86.98956	63.0
92.95588	73.8
116.56603	62.1
291.11069	67.7
398.60617	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90211	0.5
58.23280	0.5
59.01370	0.9
61.05787	0.5
62.81265	0.5
63.37206	0.5
72.00900	7.7
92.19891	0.9
94.80506	0.6
121.93109	0.6
139.29465	0.6
147.04518	40.3
164.07164	100.0
166.02765	0.7
181.05066	2.5
182.68497	0.6
192.18045	0.6
239.44908	0.8
403.11771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	64.8
59.81175	4.5
69.88343	4.0
71.01372	25.0
73.02952	8.0
73.04060	25.7
85.02922	7.5
89.02414	11.6
96.95978	10.5
101.02445	17.4
103.05121	55.7
105.74290	4.4
113.02422	30.9
116.07168	73.8
119.03511	4.5
119.04989	5.9
129.10284	36.8
137.09694	11.6
155.08258	20.1
173.09309	8.5
186.12512	9.3
199.09818	7.2
228.17145	100.0
238.07693	4.7
242.11424	6.5
285.19278	39.9
329.18277	19.3
341.18045	6.6
341.64365	5.3
343.11475	10.0
359.19351	99.7
403.16162	34.9
403.21893	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94909	0.4
59.01378	100.0
66.77478	0.4
71.01390	0.6
80.05787	0.4
89.02460	0.6
93.09079	0.4
97.06585	0.5
101.02450	0.6
122.18952	0.4
125.09704	0.6
196.05847	0.5
199.04085	0.7
238.24062	0.5
241.05188	0.9
241.18127	1.1
250.55316	0.5
262.15198	0.5
279.74899	0.5
299.22473	0.4
403.08780	0.9
403.23428	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	403.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46592	0.6
59.01377	100.0
62.22626	0.5
72.98190	0.6
93.15321	0.7
127.09628	0.6
129.09213	0.7
241.79443	0.6
299.22192	2.5
343.21234	1.3
380.88596	0.7
403.23273	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	403.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15349	1.1
54.64717	1.6
59.01374	46.6
69.73353	1.1
71.01365	16.0
73.02946	10.3
75.26775	1.2
83.01360	3.0
83.71117	1.4
85.02911	8.6
87.00833	3.3
96.05827	1.4
99.00869	1.6
99.50957	1.3
101.02443	12.5
109.55373	1.3
113.02397	3.2
125.02392	1.7
134.90970	1.3
149.04485	1.5
155.44101	1.3
155.78000	1.2
162.44135	1.5
181.12302	1.9
199.11745	2.0
199.13405	46.5
199.16394	1.2
199.61842	1.4
281.45908	1.3
293.79282	1.4
315.65656	1.3
341.23242	2.0
343.17429	18.0
343.21149	10.4
345.28259	1.2
361.18689	79.4
361.23047	3.3
392.44763	1.6
403.19455	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	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58338	1.0
59.01363	7.1
59.33011	0.9
61.34887	1.0
83.04992	1.5
95.05012	2.7
97.05991	1.9
97.06578	43.0
111.08141	62.9
115.07616	5.9
117.03423	2.0
125.08842	2.5
125.09702	43.2
129.09290	1.4
159.06604	36.8
173.08165	61.2
179.34528	1.4
187.09741	41.1
197.06018	4.6
233.10251	2.0
241.05045	12.5
247.11980	5.5
261.13394	2.8
265.04861	1.6
272.20663	1.2
283.06073	6.2
403.08322	12.7
403.19690	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	403.1974
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
57.03460	2.7
59.01376	68.9
67.78083	2.5
71.01373	27.4
73.02942	22.2
83.01340	3.7
85.02923	10.8
89.02442	5.7
101.02439	25.2
108.83727	2.8
113.02421	12.7
138.66557	2.6
181.12373	12.2
182.87943	2.6
199.13353	18.3
232.20111	3.1
240.78300	3.8
260.53268	3.3
331.24808	11.7
343.17517	6.0
343.21353	6.2
361.18665	31.9
361.22470	5.4
403.19507	100.0
407.08014	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	403.1891
Annotation	Zoamide B
Peak:m/z	Relative Intensity
51.62268	0.4
59.01367	0.8
71.01374	0.5
78.27524	0.4
78.95891	32.4
86.39029	0.6
91.03992	2.2
99.08152	0.8
120.56239	0.5
124.37757	0.5
139.11275	2.0
153.34616	0.6
166.99765	0.9
167.01120	17.1
171.10277	6.0
197.02196	32.5
205.15979	5.3
208.04387	0.5
211.13399	8.0
229.14494	5.0
285.12625	1.1
311.22388	0.8
329.23343	20.3
381.60989	0.6
403.18900	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	403.1611
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.80309	1.0
57.03450	2.5
59.01384	27.5
59.11590	0.9
64.22138	1.0
64.81063	1.0
70.36114	1.1
71.01381	12.4
73.02951	2.6
81.07078	1.2
83.01385	1.2
83.05026	4.5
85.02951	4.9
87.00870	12.6
89.02438	13.3
89.03317	1.1
97.33610	1.2
101.02451	10.8
108.73082	1.2
111.08128	1.6
113.02420	4.8
119.03485	2.2
135.11760	4.9
139.07608	2.3
151.11272	5.6
161.09648	13.3
163.66205	1.4
165.89781	1.3
168.09987	1.2
179.10767	25.9
197.11824	14.5
205.08745	2.1
223.09717	5.2
223.46649	1.4
241.10803	12.4
282.08871	1.5
283.11606	1.3
297.11298	1.6
343.21262	1.9
361.22354	15.1
385.15036	1.7
403.16077	100.0
403.23175	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	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.67873	1.3
61.77803	1.6
71.01372	11.3
73.02943	13.9
78.98240	1.9
83.01386	1.5
85.02972	1.7
89.02413	2.7
92.19268	1.8
96.95994	3.8
96.96940	8.1
101.02431	13.6
103.98200	1.7
113.02437	8.9
137.09714	9.2
148.05301	3.5
154.63643	1.8
161.04536	3.0
163.07584	9.6
166.06429	2.2
181.08675	29.8
197.06046	6.2
199.09758	2.1
273.95612	1.6
395.26746	1.9
403.15982	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	403.1609
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
59.01083	4.1
59.01378	100.0
60.19872	1.6
71.01369	29.7
73.02938	93.2
81.07085	8.2
83.00927	1.8
83.01357	12.9
83.05024	1.8
85.02924	7.4
88.12801	1.8
89.02413	14.0
90.16802	1.8
94.24263	1.7
94.96670	1.8
95.01369	1.6
95.54070	1.7
96.16702	2.0
96.96014	6.9
99.00844	2.2
101.02428	38.2
109.02940	3.8
111.00883	1.9
113.02455	16.8
115.04021	1.9
119.03515	2.4
122.98002	2.3
125.06065	19.9
129.01933	2.0
137.09703	26.7
153.01915	4.2
161.04541	4.3
181.08768	3.6
199.09796	16.3
218.87236	1.9
219.11388	2.6
229.89784	2.1
249.12500	3.7
266.14673	1.9
273.44424	2.2
278.10886	1.9
296.89746	2.0
297.13101	2.0
301.17255	2.0
343.14020	3.3
361.14951	6.8
403.11105	3.0
403.16083	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83161	1.9
55.53650	2.1
59.01379	100.0
69.03471	3.2
71.01373	30.6
73.02935	63.0
81.07093	11.2
83.01400	2.8
85.02930	24.1
89.02453	17.6
95.01384	5.0
96.95979	4.0
101.02431	39.9
105.52261	2.3
108.33951	2.8
110.39062	2.5
113.02435	59.6
119.03489	5.0
119.05041	3.5
122.03703	13.1
125.06070	9.0
131.03534	2.8
133.02931	9.9
137.06075	3.2
137.09703	10.3
143.03484	4.4
150.03235	4.2
161.04538	15.0
165.05531	3.6
168.30859	2.7
182.05876	4.4
197.08206	3.5
234.21147	3.0
403.16241	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46226	0.9
57.03436	1.1
59.01380	10.9
61.49681	1.1
73.02927	1.8
75.51871	1.1
75.58705	1.0
86.18160	1.1
87.04523	2.1
111.00831	2.1
111.08126	2.7
111.41576	1.1
123.00826	1.6
128.63766	1.1
134.25229	1.1
138.03203	8.4
139.00395	15.0
139.04013	7.5
139.11348	1.6
141.09193	1.6
147.04500	2.9
151.04002	2.4
151.11308	11.5
151.79262	1.2
153.01926	1.4
156.44014	1.2
159.04558	1.6
162.06827	2.2
163.04094	2.0
163.11267	5.1
166.02713	10.7
173.08182	6.3
176.01079	1.3
177.05598	1.3
186.77254	1.2
188.04797	14.3
189.05603	2.0
193.05019	6.8
203.03488	2.2
204.04155	1.3
225.11284	1.1
227.07880	1.2
254.16521	1.3
313.07150	8.8
325.07144	2.6
328.09521	44.7
340.09344	4.6
343.08005	2.1
343.11859	34.3
343.21307	2.9
361.22318	25.4
373.08911	15.4
373.13107	7.6
388.11597	8.4
403.13989	100.0
403.23053	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54909	7.2
55.80573	9.0
59.01385	63.6
71.01404	9.7
83.17754	7.8
111.00828	10.2
116.92840	38.8
127.64896	8.3
134.03749	10.9
136.35606	8.8
161.02434	11.1
173.01894	8.2
193.05054	47.7
204.78447	8.3
213.45157	8.5
299.09225	42.2
310.08371	11.4
313.10703	18.8
326.43970	8.4
355.08194	31.5
358.10397	12.9
361.22394	13.2
370.10660	15.8
373.13010	100.0
385.13071	79.3
389.13248	7.9
403.02386	10.3
403.18744	64.2
403.24146	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	403.0824
Annotation	Cnidimonal
Peak:m/z	Relative Intensity
53.60534	5.7
61.55172	5.0
67.04628	5.4
74.74178	5.7
85.00549	6.2
85.27747	6.2
90.00560	6.4
90.01130	5.8
97.06567	58.2
111.08130	10.1
113.39211	6.3
117.03467	9.7
125.09706	65.1
138.00499	6.6
159.06606	53.9
173.08105	7.7
187.09764	51.9
197.05997	30.8
231.94151	6.7
241.05063	100.0
265.05045	35.5
283.06131	28.6
380.28876	7.1
403.08344	81.7
403.12796	9.2
403.19611	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79718	1.7
55.07389	1.7
59.01379	39.5
63.49267	1.6
85.45508	1.8
88.37016	1.6
88.44430	1.8
92.19894	2.0
108.02146	14.5
121.02970	2.5
123.00033	3.1
123.00872	61.8
123.04482	19.7
124.01618	22.2
138.03217	100.0
139.04004	58.3
144.93044	1.7
152.01134	47.1
167.03485	85.5
181.05067	2.1
203.05565	1.9
243.96469	2.5
343.10269	33.2
361.20169	2.7
403.12469	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	402.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96191	0.6
53.47832	0.6
58.02967	2.9
59.01368	1.0
61.98818	2.5
62.68126	0.6
71.01361	0.8
72.01770	0.7
80.11825	0.7
80.14988	0.7
110.93684	0.7
115.08709	1.5
134.03696	0.8
135.04524	4.3
153.11778	0.8
161.02415	36.2
240.20760	10.0
306.18182	1.2
342.11276	1.5
360.23007	3.7
402.23972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37776	0.9
63.38192	1.1
66.96695	1.1
67.56284	1.2
71.01367	2.1
73.67418	1.1
87.00862	62.5
89.02449	2.6
97.64093	1.1
111.89236	1.2
146.38062	1.1
151.86371	1.2
184.04024	4.7
189.68109	1.3
210.05499	1.3
212.03519	2.5
223.42368	1.3
225.04301	2.0
239.05876	1.1
240.03020	20.1
245.86295	1.2
255.05374	100.0
266.04587	2.8
270.07681	36.1
280.06265	12.5
281.06976	16.7
282.04242	1.7
287.04300	9.3
295.08368	1.6
296.09296	5.1
298.06995	1.7
340.08249	7.5
342.06229	1.3
342.11322	2.3
367.79877	1.2
402.08322	62.4
427.02704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	17.4
60.01681	2.7
71.01360	6.9
81.58523	2.6
83.12077	2.6
89.02435	21.4
91.92934	3.2
101.02442	3.5
112.98778	5.4
113.02401	4.4
119.03474	4.5
146.03767	26.5
147.04485	14.0
201.36481	3.1
227.02179	3.5
238.05087	12.5
242.04573	63.2
256.06140	4.5
257.06924	100.0
258.03928	6.0
266.04593	94.0
272.09293	65.8
281.06949	84.2
282.07816	3.8
284.05606	26.0
296.09311	62.9
299.08078	4.6
314.10287	7.5
316.08505	3.4
326.18256	3.0
341.10727	4.2
342.11127	29.2
384.07260	27.9
402.08252	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89550	1.0
58.07299	1.1
59.01379	2.3
59.27069	1.0
72.47552	1.0
74.86074	1.1
77.33090	1.1
87.00858	100.0
90.59470	1.0
109.40266	1.1
128.58083	1.2
130.99849	66.0
132.00635	20.3
157.43581	1.1
253.03572	1.4
254.04301	48.1
366.13358	1.2
402.07175	7.1
402.21695	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77963	0.9
51.61958	0.8
59.01378	100.0
66.51215	1.0
71.01373	7.0
73.36935	1.1
75.00835	1.1
75.63766	0.9
79.95731	1.3
85.02942	1.0
89.02441	11.2
101.02413	5.4
106.77434	1.1
113.02448	1.9
119.03471	4.3
121.02946	6.1
129.09178	6.5
141.09204	1.8
155.71196	1.2
179.05582	1.7
185.11786	14.6
197.11804	10.2
209.11935	1.6
240.03400	1.3
291.19666	4.7
309.20667	6.5
317.10257	1.1
327.21814	12.2
341.10938	16.1
350.57376	1.1
358.10107	1.2
401.08884	1.3
401.19177	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	401.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30937	0.5
59.01363	0.6
61.98828	100.0
83.73509	0.6
85.95217	0.5
87.94236	0.5
89.02428	0.9
93.84856	0.7
94.46432	0.6
135.52406	0.6
152.80705	0.6
287.00436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56242	2.3
58.42872	2.4
59.01365	10.8
59.97020	2.2
66.03735	2.3
67.10938	2.8
70.46687	2.7
71.01376	4.5
74.71799	2.3
78.42818	3.2
79.95725	12.5
89.02419	16.7
91.03991	3.2
92.19936	4.8
101.02433	3.9
104.34126	3.0
119.03505	4.3
121.02945	15.4
129.09196	53.4
141.09195	13.1
171.10277	2.8
185.11823	88.3
197.11833	64.9
209.11826	13.7
253.24709	2.9
291.19611	32.5
309.20789	52.0
321.24496	3.0
327.21762	100.0
341.10931	13.6
355.70230	2.7
365.19058	3.2
401.08752	3.7
401.20160	5.9
401.25488	10.9
420.65445	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	401.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	40.5
61.94523	6.1
65.17674	5.4
89.02437	13.3
99.08133	76.5
101.02438	6.5
115.48021	6.5
121.02913	35.4
172.36644	6.5
219.14075	7.8
222.27625	6.7
299.53989	7.0
319.22903	100.0
341.10754	25.4
401.22977	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.8
57.08974	1.1
59.01373	43.7
71.01376	13.6
71.03450	1.4
73.02937	10.6
74.20325	1.2
76.43057	1.3
77.68042	1.2
83.05016	5.6
85.06596	1.6
89.02422	14.8
97.06585	6.3
99.04486	2.9
101.02421	8.6
109.06544	13.0
111.04448	1.4
111.08151	9.9
113.02425	5.3
115.07634	5.6
119.03491	10.1
119.08644	6.4
120.31150	1.4
123.08114	3.3
125.06062	2.6
127.07639	2.1
137.09682	2.2
139.07628	5.9
141.09187	2.0
149.09738	2.8
155.07179	1.6
167.10794	1.6
173.08179	20.5
179.05498	1.6
185.48254	1.5
203.09300	2.7
224.03194	2.2
236.02510	1.4
241.07475	1.7
341.10898	27.0
341.14871	1.7
341.15662	1.6
341.19632	22.1
357.10742	3.2
359.20740	77.0
401.09976	7.4
401.21851	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	401.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32500	1.0
59.01381	39.2
69.03448	2.2
71.01369	2.7
71.05015	1.5
73.02932	5.5
75.66382	1.3
83.05022	11.8
85.06578	2.7
89.02439	5.6
95.05025	8.9
96.81248	1.4
97.06561	1.6
101.02396	1.9
101.06085	2.7
106.04217	5.3
109.06559	5.0
111.08152	16.7
119.08643	5.3
121.40296	1.3
123.08130	2.1
125.09632	1.3
127.07663	2.3
137.09753	2.7
139.07646	5.7
141.09158	1.5
149.09703	21.4
167.10770	1.6
173.08179	29.8
203.09264	7.3
251.12759	2.6
275.69293	1.4
287.15002	6.3
326.33853	1.3
341.11151	2.1
341.19763	14.2
357.15573	5.1
359.20767	50.1
401.21848	100.0
424.10172	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	401.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01377	31.2
61.98821	4.7
64.23169	0.9
66.14729	0.9
69.03438	2.0
71.01385	2.5
71.05028	2.5
73.02944	6.4
75.99496	0.9
82.76421	1.0
83.05009	9.6
85.06582	5.3
87.04548	1.2
89.02449	6.5
92.20008	2.1
95.05012	7.4
97.06557	1.7
101.02439	1.7
101.06059	2.5
104.66547	1.0
106.04231	1.8
108.85758	1.2
109.06565	4.7
111.08148	15.6
119.08667	4.5
120.39948	1.3
121.21922	1.1
123.08170	1.5
125.06117	1.1
127.07630	3.8
127.67690	1.2
137.09717	1.7
139.07632	2.5
141.09229	1.8
149.09694	12.8
155.07161	1.8
167.10754	2.0
173.08168	28.1
189.12938	1.4
203.09256	4.1
218.61295	1.2
240.09048	1.1
287.14948	1.8
341.10904	6.8
341.19745	10.4
359.20813	42.6
401.21860	100.0
410.69302	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	401.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
65.32929	1.1
71.01380	6.9
79.38884	1.0
85.02950	2.1
89.02430	9.5
101.02436	10.4
113.02424	1.8
119.03486	4.8
141.09229	2.1
148.05322	6.8
149.24593	1.2
173.46858	1.0
179.05615	2.1
180.04221	1.1
191.03537	10.7
191.07141	5.3
192.04274	1.5
206.05829	5.5
235.06233	1.7
238.04724	1.9
241.13438	6.8
264.50632	1.2
279.06531	1.4
297.07718	5.3
297.20712	1.5
309.07541	1.4
322.05014	1.6
337.07065	5.8
341.06732	2.3
341.10864	10.9
341.19427	4.3
353.06540	2.7
357.13297	1.7
359.20731	8.6
368.08902	2.2
371.11325	7.6
383.11438	11.5
401.12823	11.1
401.21942	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	401.1815
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
50.69573	1.4
51.11867	1.4
57.03425	1.9
59.01375	75.3
62.33560	1.5
63.62250	1.4
69.03417	1.7
71.01370	25.1
71.04993	1.6
73.02585	1.8
73.02937	41.5
83.01375	4.2
85.02921	7.0
86.93129	1.6
89.02435	20.8
96.19155	2.0
97.06551	3.5
99.72588	1.5
101.02431	36.9
105.41471	1.5
113.02430	14.2
119.03426	3.3
119.08640	1.9
135.11736	2.0
143.03432	1.8
153.09123	4.2
179.05576	2.3
179.10733	32.0
197.08159	3.3
197.11816	18.3
202.84447	1.8
249.06033	1.6
289.14453	1.6
311.08868	2.1
322.62924	1.7
341.10678	17.0
341.15814	10.1
341.19632	1.9
359.16818	3.0
359.20917	14.1
384.58469	1.8
401.17914	100.0
401.21701	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1814
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01863	0.6
56.48805	0.4
57.03438	2.6
58.00582	0.4
59.01377	34.1
61.65087	0.4
66.19880	0.4
71.01373	23.5
72.99285	0.5
73.02931	7.1
83.01391	5.1
85.02940	10.6
87.00857	1.6
89.02428	19.9
95.01356	2.3
99.00871	1.8
100.93320	0.8
101.02430	26.5
106.11270	0.5
111.00861	0.5
113.02437	13.6
115.91972	0.5
118.79581	0.4
119.03469	6.7
123.08124	1.9
143.03511	0.4
161.04559	0.9
171.47697	0.4
177.12834	7.9
179.05540	0.5
195.13873	2.6
199.54570	0.4
221.11800	5.2
261.83475	0.4
280.16452	0.5
341.10870	13.5
401.18158	100.0
423.63718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	3.5
59.01379	100.0
71.01368	6.0
76.48175	1.7
80.54998	1.6
85.02917	1.9
89.02445	13.7
96.62960	1.5
101.02409	7.6
113.02414	3.0
119.03518	5.3
123.35400	1.6
139.11305	2.9
150.22015	1.8
152.20007	1.7
171.10263	11.2
179.05632	2.6
211.13394	1.8
218.20718	1.7
292.71741	1.7
315.21756	2.7
329.23441	12.6
341.10889	18.9
401.21225	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
62.14822	0.8
66.37158	0.9
89.02418	0.9
94.61859	0.7
101.02430	1.0
200.49579	0.7
286.60165	0.8
302.94449	0.8
341.10779	1.2
371.95346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98042	1.2
59.01375	11.3
59.98520	3.0
63.73886	1.4
69.56511	1.3
71.01373	57.3
85.02951	2.0
89.02433	10.2
97.02914	5.3
98.03719	42.1
101.02435	5.7
109.23471	1.5
113.02435	3.2
115.00350	20.7
119.03487	5.3
124.85098	1.3
140.49974	1.4
187.12358	2.7
285.16083	100.0
341.10846	15.9
401.17407	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80075	2.2
59.01378	100.0
62.39083	2.2
63.68925	2.3
66.32487	2.4
71.01365	24.0
73.02945	34.3
77.01665	2.5
83.01408	4.3
85.02940	5.8
89.02444	39.0
101.02428	30.2
110.20565	2.3
113.02431	15.2
119.03484	13.1
125.02338	2.5
135.08156	2.9
153.09209	76.9
159.11774	2.7
179.05606	4.2
197.08194	55.4
208.21262	2.6
212.44287	2.5
220.39986	2.5
341.10818	47.6
401.13748	4.7
401.22049	12.1
424.93393	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	401.1603
Annotation	Lariciresinol acetate
Peak:m/z	Relative Intensity
59.01088	1.5
59.01372	24.7
59.34580	0.8
59.81042	0.9
62.39979	0.8
66.86903	0.9
71.01368	7.2
76.02623	1.0
89.02428	16.4
92.19321	1.1
94.38248	0.9
96.70605	0.9
101.02425	5.4
113.02415	4.2
119.03465	5.1
141.69478	0.8
151.03966	1.8
159.04520	1.0
173.85724	1.0
179.05563	1.5
202.89317	1.1
252.07948	5.7
267.10251	4.0
272.10440	1.0
279.06763	1.1
284.10623	2.0
296.06836	13.0
299.09299	1.4
299.12946	1.3
300.10101	2.2
311.09235	28.0
312.09973	9.9
326.11710	1.0
327.08838	1.4
327.12387	20.8
328.09521	7.5
339.08694	1.3
341.10831	22.2
343.11856	11.0
353.10361	1.4
356.04922	1.6
356.08997	31.3
359.15103	1.4
371.06653	1.3
371.11359	63.6
386.13739	26.6
401.16058	100.0
402.81622	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25991	0.8
59.01379	53.4
71.01376	9.1
73.02946	1.1
75.32607	0.9
83.01383	1.1
85.02945	2.1
87.00848	1.2
89.02435	13.5
101.02425	8.2
105.99086	0.9
108.02177	3.7
113.02432	4.1
119.03519	1.8
121.02937	3.7
123.04476	1.2
135.04498	1.4
136.05295	79.5
137.06076	100.0
161.06183	0.9
179.05658	1.6
179.07115	4.5
203.05670	3.7
221.08121	1.1
235.34561	0.9
319.81516	1.0
341.12311	20.1
401.22217	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	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71991	1.4
59.01374	100.0
65.10247	1.4
67.33006	1.6
69.71047	1.7
71.01374	35.7
73.02933	69.5
83.01376	10.1
85.02937	8.6
89.02437	29.0
92.19986	1.6
95.01300	1.8
101.02421	54.0
107.05026	2.1
108.02147	6.9
108.11875	1.7
109.02917	1.4
113.02429	17.3
119.03455	10.1
131.03506	2.8
135.04466	7.2
138.03218	3.0
143.03517	5.7
149.02312	2.0
149.04539	6.7
152.01144	7.4
153.01950	2.7
153.05574	30.9
161.04527	10.5
161.97473	1.8
179.05632	2.4
197.04587	3.2
221.06657	2.5
305.70566	1.7
340.61102	1.9
341.10889	33.5
357.08148	2.1
401.10822	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	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81793	1.6
59.01376	54.8
67.25652	1.9
71.01371	29.0
73.02943	2.7
78.82394	1.9
85.12665	2.0
87.00855	14.8
89.02426	59.6
101.02422	33.5
103.86456	2.0
113.02424	17.0
119.03496	28.3
161.04564	2.2
173.72444	1.9
179.05576	8.8
179.07133	11.5
194.05974	3.8
209.08224	4.4
265.07147	13.2
291.80545	2.2
325.09317	3.4
341.10904	100.0
401.10736	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	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48907	1.0
59.01378	52.5
63.38913	1.1
71.01374	31.9
85.02951	1.7
87.00866	1.7
89.02429	66.3
97.87287	1.2
101.02425	29.2
113.02410	19.6
119.03483	25.5
143.03447	1.9
161.04506	1.7
166.84166	1.2
174.18733	1.1
179.05562	7.4
237.56145	1.2
341.10892	100.0
350.79050	1.6
401.12946	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	401.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	49.1
59.53337	0.6
71.01373	31.5
80.58971	0.7
83.01371	0.8
85.02927	1.2
87.00865	1.8
87.27367	0.7
89.02424	58.2
95.01379	1.4
95.95238	0.8
101.01791	1.2
101.02425	29.5
101.44490	0.9
113.02435	17.7
119.03482	24.8
131.03436	1.2
133.48871	0.8
143.03452	1.8
161.04523	3.0
167.46074	0.7
179.05594	8.2
216.51190	0.7
302.17560	0.8
341.10883	100.0
401.11029	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	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13006	1.4
55.38429	1.4
55.56808	1.6
57.54832	1.5
59.01377	54.1
69.39453	1.5
71.01374	30.2
75.76273	1.7
76.56485	1.7
84.63082	1.4
85.02927	1.8
89.02432	69.7
101.02425	32.2
113.02446	20.9
116.47480	1.8
119.03488	23.2
123.17403	1.9
123.56929	1.9
179.05620	10.8
198.45241	1.6
293.05838	1.8
341.10892	100.0
341.27148	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	401.1239
Annotation	Piscerythrone hydrate
Peak:m/z	Relative Intensity
53.94762	2.7
59.01379	43.8
63.66758	2.9
71.01372	27.1
89.02433	50.9
101.02431	20.4
113.02417	17.0
119.03480	19.9
138.74138	3.4
179.05615	7.4
251.07016	7.5
279.06589	7.8
292.07431	4.9
293.08157	6.7
297.07663	19.9
308.06989	5.5
309.07632	18.3
311.09366	7.7
313.07278	27.7
320.77115	3.4
323.09122	24.4
324.09946	6.7
326.08014	14.6
327.08719	16.7
338.11499	18.8
339.12210	14.8
341.06616	29.7
341.10870	72.3
343.08090	4.9
353.06674	3.6
356.08990	5.5
371.07639	90.3
371.11212	6.9
383.11365	76.7
386.10068	12.8
401.12387	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	401.1239
Annotation	2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.71710	3.3
59.01377	66.4
61.70394	3.1
71.01369	26.9
79.36428	3.7
85.02943	3.7
89.02429	68.2
101.02423	20.0
113.02429	22.1
119.03462	6.2
129.01881	4.1
147.04434	14.9
148.05281	33.4
158.97595	4.1
162.06860	6.3
176.04771	6.4
191.03487	50.5
191.07132	18.3
192.04219	5.6
206.05836	34.3
220.03758	6.3
233.04477	4.4
238.04659	8.8
270.33762	4.8
297.07687	18.8
337.07208	25.6
341.06860	10.3
341.10809	92.8
353.06683	20.7
357.09619	5.8
368.09140	6.8
371.11267	24.2
383.11401	31.9
401.12436	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.6
71.01364	19.4
73.02926	5.7
78.48994	1.4
81.99071	2.0
83.01389	2.0
85.02921	6.8
87.00855	7.0
89.02425	14.3
91.66373	1.4
93.03409	1.5
95.18308	1.3
101.02419	14.7
106.04227	1.9
107.05013	34.8
113.02431	12.4
119.03437	2.5
129.44250	1.6
130.60815	1.5
133.06578	18.4
134.03644	2.4
135.04492	9.6
149.06056	23.4
161.04530	2.5
177.05545	46.6
179.05548	1.8
195.06586	8.4
241.37892	1.7
247.57980	1.5
341.11276	19.2
401.10831	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05953	1.0
54.52348	1.0
55.05137	1.3
59.01376	9.0
63.18918	1.1
71.01385	14.2
73.02924	5.6
75.00865	1.3
82.74637	1.1
83.01340	1.6
85.02954	1.5
87.00853	7.2
89.02408	8.7
95.01331	1.8
101.02411	11.6
107.05009	36.6
111.93386	1.2
113.02467	11.5
119.03490	2.7
133.06567	15.0
134.03725	1.3
135.04497	17.3
146.70743	1.3
149.06071	22.5
161.04620	1.4
177.05569	40.3
179.03484	1.9
179.05336	1.4
195.06548	9.5
214.56342	1.2
265.07242	2.1
341.11362	10.3
386.81207	1.3
401.10873	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	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.1
65.87089	2.2
71.01363	15.1
77.12101	2.4
78.99603	2.5
85.02948	3.5
87.00854	45.1
89.02411	21.8
96.81295	2.7
101.02422	16.4
113.02403	3.9
115.43935	2.3
119.03461	3.8
164.04800	4.6
166.02756	4.1
176.04721	3.0
179.07094	48.2
181.05003	5.1
190.64902	2.6
194.05786	12.2
209.08170	24.4
237.07678	3.4
245.48283	2.8
265.07187	51.2
325.09299	11.7
341.10834	27.8
386.51132	2.5
401.10858	100.0
405.44580	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	401.1088
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
50.52743	1.1
52.04459	0.9
53.27433	0.8
59.01372	6.7
71.01371	14.2
73.02931	6.4
83.01367	1.8
85.02921	5.4
86.41655	1.1
87.00854	7.5
88.58679	1.3
89.02438	6.7
91.04298	1.0
93.98826	1.0
98.36482	1.0
99.00813	1.1
101.02430	10.0
107.05008	35.7
113.02422	12.2
119.03460	2.4
126.04295	1.2
133.06557	15.2
134.03716	1.4
135.04497	5.1
149.06068	23.2
161.04524	4.4
162.58034	1.1
176.04799	1.4
177.05556	43.3
178.06400	1.4
179.03488	1.6
179.07028	4.6
195.06636	9.6
198.98071	1.3
210.34142	1.1
254.43961	1.1
270.17004	1.1
341.08215	1.4
341.10980	6.1
348.86075	1.4
401.10876	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	401.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.4
59.46915	1.6
60.28659	1.4
61.98827	19.0
67.32304	2.3
71.01387	7.9
73.02939	8.1
74.34491	1.7
85.04512	1.7
86.77769	1.8
89.02444	7.7
101.02485	3.2
111.08186	2.3
115.00319	3.3
119.03519	3.8
127.01366	1.8
137.09700	4.0
139.07600	3.7
149.09654	1.9
159.05644	2.4
175.07610	2.0
183.05614	2.4
185.03587	2.1
214.05089	9.2
227.08170	2.2
237.06659	3.8
239.08214	2.6
240.06795	2.4
241.06232	2.2
255.07730	16.6
268.04837	7.1
283.07269	100.0
298.09552	13.6
313.11975	48.1
341.10815	15.4
341.19666	7.1
357.10870	8.4
359.20789	48.2
401.09784	25.4
401.21790	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14605	56.2
57.34110	62.1
59.01379	100.0
81.72782	61.8
85.93028	65.5
92.09644	66.5
92.51723	71.5
99.65205	72.2
123.37087	63.4
267.17166	71.9
276.70654	68.4
399.18600	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23749	1.0
71.01379	1.4
77.49862	1.3
98.18426	1.3
124.21678	1.2
124.80470	1.2
150.67079	1.1
184.03938	8.0
208.04051	23.9
212.03566	2.5
213.54222	1.1
236.03505	5.7
240.03001	10.7
255.05347	37.9
264.02994	14.4
270.04077	1.8
270.07761	5.9
272.05643	1.3
279.05362	100.0
287.04416	5.5
294.07730	51.5
312.08850	4.4
382.05832	9.3
400.06720	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	400.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.8
71.01030	2.0
71.01382	22.9
72.12714	1.7
82.72139	1.3
83.90157	1.3
88.04033	13.4
89.16171	1.3
93.03435	10.5
96.96000	10.7
97.09135	1.3
99.11590	1.5
102.05567	1.4
106.79527	1.5
114.01966	12.6
115.00351	32.5
132.03020	29.8
136.04025	24.9
209.06262	1.5
211.07643	53.4
211.09534	3.2
223.07629	17.5
236.07208	2.9
243.11334	1.7
248.07016	2.1
250.08672	2.1
251.07187	1.8
254.08244	41.6
255.06711	18.5
266.08270	27.9
267.06644	12.6
271.10892	2.7
282.11319	2.2
285.07687	2.8
294.11542	2.0
320.09460	2.6
324.18555	1.9
326.10318	2.2
336.16135	1.6
338.10443	6.3
354.65768	1.5
370.09311	11.4
382.09326	7.3
400.10370	100.0
400.18915	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	399.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22353	1.3
53.37937	1.3
55.01890	1.5
58.99580	1.8
59.01371	32.5
71.01359	11.0
73.02937	3.5
75.47635	1.3
77.29556	1.3
83.05014	2.0
85.02924	9.2
89.02443	2.1
97.63152	1.4
99.04499	3.0
99.08137	2.3
101.02405	5.9
102.98579	22.8
112.05269	1.8
112.69006	1.9
113.02451	1.4
117.97284	1.7
120.46806	1.8
120.99651	1.4
125.09692	9.0
127.07635	18.3
135.08124	3.3
140.49373	1.6
153.09193	21.9
155.10724	2.7
161.04492	1.9
163.11238	2.3
165.12798	3.1
168.74669	1.5
171.10245	11.1
181.87303	1.4
185.11832	28.4
185.28645	1.3
191.10675	2.4
197.11804	15.9
207.10138	1.8
208.43736	1.5
209.11826	100.0
235.20126	1.7
236.10487	2.2
237.11217	1.6
238.11960	6.1
239.16452	2.8
245.19006	6.5
269.15820	5.7
289.18027	17.3
307.19131	70.8
312.15759	12.4
325.20200	57.2
357.17227	1.5
381.22876	24.5
399.19058	3.8
399.23892	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	399.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93146	1.4
57.03445	2.1
59.01368	6.3
59.50951	1.4
66.94078	1.8
71.60802	1.6
79.25405	1.5
81.46319	1.6
84.02895	1.8
85.02962	3.2
85.43702	1.7
97.06597	1.6
100.77077	1.6
125.08286	1.6
125.09676	18.6
132.56631	1.8
137.09737	15.8
169.12280	3.4
171.10277	2.4
235.20709	2.3
240.39682	1.6
263.20148	42.8
279.19632	52.9
281.21378	2.8
289.18091	8.4
307.19141	59.8
325.20206	70.8
399.23874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58385	1.4
54.72167	1.4
55.69731	1.6
59.01085	2.4
59.01376	38.2
61.98814	1.7
65.03951	3.3
69.03454	3.0
73.02946	10.4
78.58958	1.7
83.05009	2.8
83.21873	1.8
86.92436	1.7
87.04517	7.0
92.19367	3.4
97.06547	3.8
99.04502	3.9
101.06059	11.9
109.06577	9.4
111.04523	2.1
111.08121	16.7
115.07642	7.6
122.07660	1.8
123.08096	2.4
125.06050	2.0
127.07632	7.4
135.08176	2.1
137.06096	2.5
137.09659	2.7
139.07626	10.5
141.09184	9.1
149.09714	3.0
153.09204	4.1
154.83363	2.0
155.10822	2.4
161.09843	2.5
165.09225	3.7
165.74734	2.2
167.10768	1.9
173.08179	2.9
177.12743	3.5
181.12227	2.4
187.11275	7.4
201.07750	2.5
203.09232	7.9
205.12332	7.9
214.98523	1.9
215.09303	3.0
241.10794	7.5
249.11185	13.2
259.16989	2.7
267.12402	8.8
272.69974	1.9
277.18002	1.9
285.13489	3.5
309.13571	2.6
321.16968	8.6
327.14304	4.0
339.17972	15.7
357.19217	55.4
399.20248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21729	2.4
55.38391	2.7
57.23112	2.5
59.01376	41.8
69.03454	6.1
73.02934	7.0
80.76640	2.7
83.05015	3.8
87.04534	5.1
101.06082	4.6
109.06561	6.3
111.08134	15.5
119.82262	2.9
123.08129	6.0
124.82705	2.9
127.07615	4.8
129.29294	3.1
139.07599	12.9
139.51118	3.3
140.37947	3.1
141.09181	5.3
142.76288	2.7
149.09692	3.6
167.10687	4.5
173.08136	4.5
177.12801	3.8
187.11298	12.4
197.13040	7.3
205.12390	6.3
210.14822	3.0
215.09242	5.2
215.14034	14.8
221.11856	3.6
241.10750	7.2
249.11238	19.8
259.16849	3.1
267.12482	6.7
285.13412	4.6
321.17032	4.1
327.14603	4.3
339.18140	12.7
357.19196	54.3
399.20291	100.0
399.24979	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60376	0.7
52.52399	0.8
59.01376	100.0
70.95689	0.8
71.01384	1.0
74.30688	0.7
80.88097	1.0
83.01379	1.3
85.02933	3.5
102.98579	0.9
114.88515	0.9
125.38853	0.9
143.58797	1.0
145.02940	2.1
150.05574	0.9
172.27965	1.0
177.05534	5.7
205.03534	1.2
223.04379	1.1
304.55103	1.0
399.20248	1.3
417.88593	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.0
59.01089	1.8
59.01381	51.9
65.99521	1.3
69.03459	2.5
71.01370	23.9
73.02951	2.3
83.05023	7.1
85.02959	2.6
89.02427	25.0
91.05520	1.3
93.07065	5.4
95.05005	1.9
101.02432	13.4
109.06620	1.7
110.78653	1.4
113.02431	9.7
119.03472	8.6
119.04996	1.6
121.06566	9.3
125.09735	1.3
127.07615	1.9
131.16309	1.2
131.51340	1.4
133.10210	2.0
135.08241	1.4
139.07623	1.9
147.08162	1.7
157.10068	2.4
159.08125	3.2
160.08917	49.0
173.08163	14.1
173.09706	10.3
175.11270	100.0
219.10269	41.3
266.59790	1.9
282.37003	1.6
339.18335	5.3
357.19220	13.5
361.25333	1.5
399.16507	88.1
399.20541	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1085
Annotation	4'-Demethylepipodophyllotoxin
Peak:m/z	Relative Intensity
51.12508	1.6
51.20260	1.7
57.51714	1.8
59.01373	24.3
64.65684	1.9
71.01360	3.3
81.86538	1.9
83.01380	4.5
85.02917	2.9
89.02398	2.2
101.02422	4.6
102.98580	12.6
113.02432	4.4
120.99749	2.1
121.48935	2.6
138.58177	1.9
156.85532	2.5
269.15735	7.5
313.07141	23.4
325.06802	2.5
341.06665	21.3
369.06161	100.0
383.07364	2.3
384.08643	21.0
399.05765	4.3
399.10800	83.6
399.18793	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	399.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.01368	4.7
73.02946	1.7
83.01421	0.8
85.02936	3.5
87.00853	1.4
89.02447	3.2
101.02420	4.3
111.00851	0.8
112.98789	0.9
113.02402	1.5
195.10223	1.5
283.02832	0.7
311.02271	1.2
339.14468	1.5
355.04834	1.4
357.15680	0.8
399.16537	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	399.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.45454	0.8
73.63162	0.9
75.75198	0.8
84.12813	0.9
95.65726	0.9
96.95995	29.4
98.94452	0.8
118.12594	0.8
129.30579	0.8
135.57632	0.8
154.61784	0.8
163.53439	0.7
165.52612	0.9
200.23039	0.9
215.20923	0.8
234.51337	0.9
316.83765	1.1
317.44388	1.0
399.20511	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	399.1085
Annotation	Mirificoumestan glycol
Peak:m/z	Relative Intensity
52.65976	5.1
61.69250	5.2
64.23734	5.6
71.33297	6.2
71.40932	5.7
73.03503	5.8
76.03204	5.9
79.39555	5.8
109.20473	7.1
146.89368	6.2
195.90367	8.4
221.73763	6.3
311.05829	44.2
339.04968	51.1
367.14896	6.8
369.06100	99.7
384.08521	7.3
399.10812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	21.5
59.01369	2.0
61.49956	1.3
64.60383	1.3
71.01364	2.8
73.02968	1.5
75.89589	1.2
75.90227	1.5
83.01388	5.8
85.02937	100.0
101.02410	7.4
111.00861	29.9
119.38727	1.4
128.33292	1.4
129.01926	29.5
134.03683	12.2
145.56940	1.5
154.57381	1.5
158.89809	1.6
161.04500	1.8
178.04597	1.4
193.05035	6.5
205.03543	28.2
223.04581	23.1
249.07219	1.4
274.92203	1.5
388.95230	1.7
399.09021	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03442	21.5
67.59735	1.4
67.69009	1.3
71.01356	2.9
73.02916	2.2
83.01378	6.3
83.94823	1.5
85.02938	100.0
101.02423	9.2
111.00883	25.2
129.01907	29.0
134.03741	12.6
148.49075	1.3
149.06041	1.8
149.32761	1.5
187.02432	1.4
193.05083	8.2
205.03529	28.0
223.04613	15.4
399.09299	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	398.1319
Annotation	Dafadine-C
Peak:m/z	Relative Intensity
51.65590	1.0
89.34942	1.1
94.91241	1.3
98.85228	1.3
99.92572	69.3
100.93343	7.3
107.97607	1.2
115.92042	8.2
116.92822	10.9
118.89952	95.7
119.90756	9.6
134.89478	5.3
135.90236	30.4
279.23315	6.4
355.28040	1.2
357.78140	1.2
362.15671	9.5
383.52347	1.4
398.13208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80238	1.1
59.01379	72.6
63.93622	1.2
92.19366	2.5
112.07687	2.6
129.10390	1.5
130.08720	5.0
142.53825	1.3
145.50511	1.4
207.15021	2.3
207.48047	1.4
214.97226	1.3
224.17667	6.4
225.16092	6.6
256.69431	1.6
290.71609	1.8
318.63452	1.3
320.23416	11.6
338.24509	100.0
398.26907	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79591	62.5
59.01363	100.0
93.24797	73.7
94.44801	66.3
107.18471	71.5
128.54120	68.0
183.82661	71.5
315.19574	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67996	3.2
59.01382	100.0
61.02113	3.0
61.77581	2.6
64.57380	2.4
65.85265	2.5
87.04494	3.6
93.03452	5.0
96.96040	3.1
102.00702	2.7
110.99745	3.6
137.06104	4.2
176.11879	14.6
193.36897	2.6
193.40915	3.7
194.12990	29.5
203.09331	4.4
215.09491	2.7
216.67189	2.9
247.19362	4.8
289.20230	21.0
292.90918	3.3
305.19641	3.2
307.21451	64.7
332.96262	2.7
397.19022	24.1
418.32169	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	397.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.6
57.28012	0.6
58.00364	0.7
59.01369	6.2
60.44331	0.7
67.33973	0.6
71.01383	4.6
73.02952	3.0
75.00891	0.9
83.01404	0.8
85.02257	0.8
85.02918	1.6
86.03272	0.8
96.95991	37.5
101.02438	1.9
113.02411	1.6
135.08139	8.3
137.02464	4.7
243.17435	6.0
255.17581	1.0
273.18573	1.1
293.17725	1.0
299.07602	0.9
323.18689	0.8
335.18692	1.3
353.19720	51.4
397.18716	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	397.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.7
63.58046	0.4
90.87819	0.5
93.03439	39.9
96.95983	2.0
137.02429	100.0
138.03195	2.1
164.86519	0.5
192.99596	0.8
231.42325	0.5
291.57727	0.5
397.14929	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27321	0.9
59.01379	100.0
77.15031	1.1
96.81646	1.1
106.64966	1.2
106.94270	1.1
179.79839	1.1
367.09610	1.3
397.14124	2.1
397.18921	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	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89661	0.4
54.84996	0.5
56.56197	0.5
59.01377	100.0
68.00059	0.5
71.01384	0.6
83.80923	0.5
85.02948	0.5
89.02443	0.6
91.58900	0.5
96.95985	2.7
101.02406	0.9
144.15776	0.5
231.92102	0.5
238.74089	0.6
337.15146	2.2
337.38361	0.5
397.11722	2.6
397.17865	1.3
406.00476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1866
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
56.24393	0.6
58.45042	0.6
59.01376	3.5
62.95452	0.5
71.01378	2.5
72.69243	0.5
73.02942	2.5
85.02943	2.7
92.19340	1.1
93.03426	1.3
96.95992	59.9
101.02426	4.0
113.02413	1.5
123.08129	0.9
127.95870	0.7
135.08133	6.0
137.02425	6.8
231.17455	0.7
233.15506	0.8
243.17514	5.6
255.17664	0.9
261.18625	1.2
273.18393	0.8
289.18094	0.9
335.18750	3.8
353.19702	46.3
397.18695	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	397.044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35604	0.4
59.01376	13.5
71.01342	0.5
78.95889	0.5
79.95731	0.8
87.00889	0.6
93.03442	2.0
96.95989	100.0
111.03300	0.4
137.02426	9.9
139.00789	0.5
160.66348	0.4
197.46674	0.4
202.20549	0.5
244.51248	0.5
250.93369	0.5
299.07709	2.0
353.19684	0.6
392.04361	0.5
397.12170	0.6
397.18454	1.8
422.89670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51353	5.2
55.79344	5.2
57.03424	5.0
59.01373	55.2
66.79086	4.3
71.01364	48.8
72.99282	48.0
73.02946	8.5
75.00883	37.1
81.71894	4.8
83.01394	7.0
85.02946	64.8
87.00859	11.7
89.02442	21.6
92.19360	7.9
95.01374	7.1
97.02905	7.6
99.00860	8.0
101.02416	21.6
103.00372	28.3
113.02440	100.0
115.75514	4.9
126.95567	5.5
131.03577	7.4
139.14023	6.2
175.02452	7.2
184.57173	6.2
187.28537	5.6
193.03520	91.2
235.04654	38.0
240.12103	5.1
259.36984	5.1
269.57950	4.8
379.08740	61.7
397.09790	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
80.11645	3.5
99.92563	54.4
115.92014	5.4
116.92863	6.1
118.89961	100.0
119.90813	4.5
134.89449	6.4
135.90230	19.2
141.93457	3.4
277.21719	19.1
360.13937	5.1
396.11606	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.9814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31304	0.8
59.01376	100.0
63.48714	1.1
72.54742	0.9
79.16565	1.1
89.40397	0.9
92.79669	0.9
119.46529	0.9
139.87956	0.9
141.01685	15.0
188.98535	18.2
232.97531	63.5
272.96609	1.0
314.97794	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	395.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99227	4.5
51.70085	4.7
58.24211	5.4
59.01371	24.4
61.98824	8.4
64.69601	6.7
67.91347	5.1
73.17204	5.8
77.40930	5.6
78.95889	8.5
79.16925	5.8
80.39928	5.5
86.81917	6.2
88.02857	6.6
107.24961	5.8
123.78879	6.8
127.11269	13.3
174.88904	6.8
185.11807	81.9
199.13333	12.6
207.10107	30.5
215.12872	8.4
221.11574	42.2
250.94600	6.7
277.21655	14.5
295.22812	11.4
313.23853	100.0
335.21896	11.6
395.24130	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2437
Annotation	Australin A
Peak:m/z	Relative Intensity
59.01376	100.0
61.82780	2.3
87.04492	3.5
92.19296	3.1
94.91508	2.6
100.64547	2.8
100.78335	2.4
115.36372	2.7
123.54201	2.8
135.06639	21.2
154.51891	2.6
168.22107	2.6
194.63504	2.5
223.90097	2.6
277.18118	21.6
294.86740	2.9
395.24442	81.1
412.11340	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54257	0.9
56.72178	0.9
57.95569	1.0
58.38258	1.1
59.01377	100.0
63.73273	0.9
71.01355	4.4
73.02927	1.7
81.77428	0.9
85.02911	1.6
98.96333	1.2
101.02428	4.9
113.02443	1.6
116.60896	1.0
137.02463	2.3
167.02092	1.8
221.10187	2.0
293.16183	5.7
311.71707	1.1
332.80151	1.1
335.17123	8.0
395.21591	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	395.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29984	0.4
59.01377	100.0
71.01389	0.9
86.22385	0.4
90.98621	0.7
101.02425	0.5
102.98637	0.4
112.98015	0.4
113.02432	0.6
138.35023	0.4
140.95709	0.4
155.50009	0.5
156.61317	0.4
158.95653	0.5
210.73477	0.5
249.44481	0.5
317.15067	0.6
335.17340	2.5
395.10004	0.7
395.19049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
73.02977	0.8
86.09039	0.9
91.48462	0.8
104.83537	0.9
112.21665	1.0
114.52377	0.8
119.05053	1.1
145.06187	1.1
175.01465	0.8
322.13760	1.0
335.17111	1.4
395.19351	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	395.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03210	8.6
58.82158	9.8
100.93365	94.0
115.92026	100.0
152.99561	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	395.1529
Annotation	Mirabegron
Peak:m/z	Relative Intensity
50.14521	6.2
61.94268	6.8
65.75449	8.3
70.66922	7.6
99.92574	37.0
100.93339	36.0
115.92034	12.5
116.92866	100.0
125.53129	8.8
131.55128	9.2
134.31592	7.6
221.33704	7.6
234.32538	8.8
358.02100	9.3
377.13965	14.6
395.15277	57.9
395.22437	9.5
395.27795	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	395.146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	3.4
59.01379	2.8
71.01382	19.6
79.88676	1.6
84.04537	29.6
88.04025	51.0
89.05628	1.5
102.05605	9.2
115.00356	20.0
121.02919	11.3
125.07184	19.9
126.05589	9.7
132.02992	11.7
135.04521	30.9
137.43225	1.8
143.08246	6.3
163.03873	2.1
194.08183	2.0
248.09271	4.3
261.12347	2.5
264.11148	19.6
265.12073	6.7
279.13486	23.1
280.11923	12.6
289.51157	2.0
298.84283	1.8
351.15524	3.2
382.47034	1.7
395.14584	100.0
395.22433	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	395.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42721	1.3
58.02961	1.6
63.75306	1.3
65.24584	1.4
65.95082	1.3
71.01376	19.4
74.43468	1.6
74.87595	1.5
84.04533	32.4
84.51352	1.4
88.04032	52.1
102.05577	7.9
115.00344	18.0
121.02903	13.1
125.07204	20.1
126.05574	7.4
132.03012	11.0
135.04509	29.9
143.08238	7.1
156.75841	1.5
156.92584	1.3
163.04062	1.8
246.10240	1.8
248.09326	7.5
261.12436	1.9
262.10822	2.1
264.11066	13.0
265.11987	2.4
279.13443	25.0
280.11890	12.8
351.15686	1.8
395.14578	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	394.187
Annotation	Rosmarinine-2-acetate
Peak:m/z	Relative Intensity
59.18266	0.8
61.43378	0.8
63.02178	0.9
70.77767	0.9
74.50591	0.9
84.04545	1.0
92.19993	1.3
99.04507	1.7
102.05601	92.5
128.03528	53.5
146.04582	50.2
168.69666	1.1
206.39955	1.0
239.21295	1.0
247.13412	5.6
265.14459	14.1
347.52029	1.0
350.19849	1.9
376.17587	4.7
394.18726	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	394.1871
Annotation	Rosmarinine-2-acetate
Peak:m/z	Relative Intensity
52.92272	1.4
59.01352	1.8
63.82723	1.5
84.04559	1.7
92.19945	2.9
96.14956	1.4
102.05598	100.0
128.03532	51.4
137.09720	1.9
146.04579	42.5
168.10416	1.6
203.14485	3.6
254.98895	1.8
265.14395	8.5
350.19843	2.3
357.16824	2.0
376.17841	2.8
394.18707	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59251	1.0
59.01388	1.2
69.67876	1.0
73.32143	1.2
77.44610	1.0
86.26182	1.0
92.19423	2.1
92.89251	1.1
96.26309	1.0
102.05597	100.0
105.01626	1.0
128.03529	48.1
146.04588	42.7
146.05557	1.1
197.63882	1.1
198.70004	1.2
247.13246	1.3
265.14511	14.0
275.47672	1.1
325.45178	1.1
350.19556	2.3
376.17523	1.5
394.18738	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.9
64.95268	0.8
69.11272	0.9
71.01374	8.9
71.04989	1.0
72.04537	1.3
73.02936	3.7
80.54095	0.7
82.02972	1.4
85.02927	6.5
87.00886	1.0
89.02435	9.9
92.19958	1.1
95.30317	0.7
99.00859	1.3
100.04034	2.0
101.02419	13.2
113.02419	5.8
115.03983	1.1
119.03440	1.7
123.08135	1.4
129.01939	9.0
170.09036	1.3
184.09929	1.1
186.11345	50.7
212.82831	0.8
214.07948	0.9
214.10863	12.8
231.08701	1.1
232.09122	2.0
232.11760	1.9
238.44937	0.9
258.00998	0.9
284.32153	1.0
364.28549	1.0
376.15961	1.5
394.17462	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	393.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25458	3.5
59.01373	9.8
82.10757	4.4
91.30523	4.3
101.70685	4.6
244.10818	5.4
248.10274	6.4
248.49225	5.0
255.78268	5.8
293.21268	86.2
311.22299	63.7
315.19479	9.4
333.20502	100.0
393.22385	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38946	13.8
59.01373	81.2
60.13394	15.7
62.28452	15.9
125.20674	16.9
152.83415	16.8
211.13373	25.2
233.11601	100.0
311.22266	81.8
349.84808	17.7
393.22540	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69938	0.6
51.86085	0.7
59.01380	100.0
62.05800	0.6
78.17042	0.6
89.12795	0.8
91.03995	0.9
99.85615	0.7
106.49122	0.6
114.13463	0.6
116.89339	0.7
199.16998	7.9
214.28706	0.6
218.90903	0.8
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
52.70802	0.8
59.01377	100.0
64.22386	1.1
71.01370	16.9
72.62895	0.9
73.02931	5.8
83.01366	2.3
85.02943	8.3
89.02408	12.4
95.01366	2.1
101.02422	15.6
113.02423	10.7
119.03468	4.7
140.42358	1.1
153.33731	1.2
161.04553	2.6
188.06485	1.1
189.14938	4.4
243.02580	1.2
333.19257	26.5
351.20300	17.7
393.21533	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01577	1.3
52.36004	1.4
53.07536	1.4
53.09376	1.4
57.03468	1.7
59.01380	100.0
71.01373	39.9
73.02927	34.2
80.37601	1.5
83.01366	7.6
85.02938	8.9
86.81747	1.8
87.00859	2.2
89.02426	33.7
92.19279	1.8
101.02428	33.7
113.02438	18.4
119.03455	8.3
120.01314	1.5
143.03461	2.8
143.10831	2.5
161.04597	8.2
189.14931	2.4
219.10489	2.4
254.30746	1.8
275.65421	1.8
287.59955	1.9
333.19220	13.4
351.20184	26.2
378.05353	1.9
393.21194	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	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
59.01374	100.0
62.22817	1.0
69.70961	1.3
71.01370	18.9
73.02937	8.3
75.00864	1.7
83.01370	2.0
85.02918	10.8
87.00861	1.6
87.37961	1.0
87.59373	1.0
89.02423	11.7
95.01360	1.2
99.00881	1.4
101.02409	23.6
108.15376	1.0
113.02419	16.1
114.13443	1.0
119.03433	2.5
123.00023	1.1
133.01433	1.6
139.02985	1.1
159.02966	1.8
161.04526	2.0
171.10309	1.9
179.05504	1.5
183.06532	2.5
189.14958	7.3
237.06096	1.7
302.35178	1.2
333.19177	21.8
347.50336	1.2
351.20267	29.0
393.16702	3.8
393.21234	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85120	4.8
59.01381	100.0
61.41881	4.9
68.21140	6.4
70.35529	6.7
74.30069	5.5
85.34023	5.2
98.65891	6.4
131.59192	5.4
140.49551	6.5
193.99730	5.4
268.70923	5.5
313.17871	6.2
371.72876	5.8
398.36948	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	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45744	1.2
50.74648	1.0
59.01379	100.0
59.23339	1.2
83.50774	1.3
84.74601	1.2
90.73799	1.3
129.98915	1.5
204.35944	1.3
223.16458	1.3
280.07285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98819	10.2
62.58057	0.8
63.11916	0.8
72.06834	1.0
75.15154	0.9
86.64944	1.3
96.95966	1.4
116.18147	0.9
166.75557	1.1
203.07959	1.1
212.91620	1.2
214.05302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.46387	2.4
61.98851	4.0
62.59995	2.3
66.23799	2.6
69.43536	3.1
70.74262	2.6
74.14247	2.6
89.99194	2.4
97.83335	2.7
117.90069	2.7
137.21059	2.5
179.89105	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	393.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31702	0.9
59.01377	100.0
59.06288	0.6
71.01385	0.9
73.02953	1.7
79.21616	0.7
113.02421	1.0
116.77782	0.9
117.48040	0.8
125.56566	0.9
139.00659	0.8
295.05994	1.0
313.71054	1.3
358.28220	0.9
393.13531	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90445	0.6
57.03446	0.7
58.02957	0.7
59.01378	12.8
69.03448	0.9
70.02966	8.4
71.01370	8.6
72.02135	0.6
73.02922	2.5
75.00867	9.5
80.92271	0.6
83.05038	0.8
85.02928	0.8
87.00866	0.9
89.02440	4.1
97.06603	0.8
101.02423	1.7
109.06568	0.9
113.02450	1.6
114.01949	100.0
116.05049	28.4
116.97528	0.8
125.09674	1.0
127.07657	0.7
133.54723	0.7
139.07597	1.3
141.09221	0.7
143.01749	0.9
156.64853	0.8
158.06151	2.9
165.05591	0.8
173.08191	1.2
188.07152	13.3
193.55281	0.7
199.69859	0.7
273.13452	0.9
393.13251	39.7
393.21426	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1378
Annotation	CHEMBL270164
Peak:m/z	Relative Intensity
52.68162	3.2
58.75271	3.6
59.66579	3.5
66.12615	4.0
72.96711	3.9
83.79805	3.6
99.92578	49.3
100.93344	19.5
115.92057	21.5
116.92854	100.0
139.11264	4.3
151.11073	3.7
167.04836	3.6
214.76408	3.7
217.00244	4.6
249.05302	3.9
268.21207	4.1
319.22800	14.5
321.10431	4.0
340.19958	4.9
375.12408	5.4
393.13818	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30214	2.5
58.99595	5.4
59.01374	6.5
92.20129	3.1
102.98579	14.8
114.29187	3.1
127.10722	3.0
134.65610	3.2
155.10770	4.7
160.76744	3.1
167.10738	12.0
167.91818	2.9
185.06245	3.0
185.11807	74.1
201.09550	16.3
219.10587	100.0
234.63612	3.1
240.58052	2.8
245.12003	3.9
289.11087	7.5
307.12204	20.6
349.13297	61.6
393.15695	5.0
394.76981	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	393.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33040	1.3
55.44493	1.3
59.01375	3.3
61.28261	1.3
67.12804	1.2
85.91447	1.2
86.87221	1.4
104.96770	1.3
121.02938	13.9
122.03688	3.2
123.00785	1.8
128.15886	1.3
138.03200	3.3
145.06172	2.9
149.02426	10.1
150.03206	77.4
153.05533	10.0
164.04773	5.5
165.05551	100.0
166.99825	6.9
180.04251	7.0
182.02199	42.1
195.06635	35.8
197.04572	49.7
208.86551	1.3
230.46967	1.5
286.08463	1.7
325.97702	1.7
345.09814	3.4
393.11966	10.6
393.20480	6.2
414.23578	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	393.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92474	1.4
54.38705	1.3
59.01369	8.1
65.20774	1.5
75.07013	1.6
83.25515	1.4
84.21652	1.6
102.05589	8.8
103.05915	1.8
119.05019	8.8
120.99643	2.7
121.02947	8.7
123.00832	2.4
123.08139	1.5
133.03058	1.7
138.03181	9.0
149.02423	21.0
150.03209	87.0
153.05533	13.5
160.01569	2.4
164.04790	3.2
165.05554	100.0
165.06946	3.5
166.99817	6.7
175.03964	2.6
180.04323	8.8
182.02213	44.8
195.06638	37.3
197.04565	51.8
218.26888	1.7
225.09317	1.7
227.07153	2.6
269.08191	21.6
313.07300	2.9
339.10651	1.5
393.03027	3.9
393.11929	9.7
393.16681	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	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33686	1.2
52.25769	1.2
57.11724	1.2
61.98828	100.0
80.04025	1.3
96.64896	1.6
110.93871	1.5
192.69791	1.6
253.46777	1.6
259.71143	1.5
277.13492	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	392.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95979	1.0
59.01379	100.0
61.49516	1.1
89.08763	1.2
379.29782	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	392.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53059	1.1
59.01387	10.7
63.20225	1.3
86.02113	1.2
88.26376	1.2
99.92575	100.0
100.93343	5.7
115.92049	7.7
116.92821	2.9
141.86832	6.9
141.93614	57.3
142.86632	1.1
142.94394	8.1
174.93390	2.9
177.97411	1.2
249.18631	13.3
255.50050	1.2
332.10837	19.1
370.24335	1.4
392.13016	75.0
403.70255	1.3
403.90808	1.3
407.65060	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	392.1717
Annotation	Acetylgynuramine
Peak:m/z	Relative Intensity
51.33437	1.4
51.74091	1.4
52.47413	1.2
59.01366	3.1
61.28608	1.4
75.80476	1.8
86.53692	1.5
92.19345	1.7
96.00985	1.8
102.05598	93.9
114.76387	1.5
121.06545	3.0
128.03534	59.4
146.04581	50.6
146.72881	1.7
173.09810	1.7
173.62627	1.6
189.12868	34.5
199.07584	3.3
219.13898	9.2
263.12766	13.2
264.26636	1.7
299.88797	1.5
374.16412	3.4
392.17178	100.0
392.27527	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	391.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60165	9.0
59.01383	67.3
63.99841	12.6
70.97566	9.8
71.34050	9.1
83.56158	12.3
86.97422	10.2
89.74608	10.5
96.35806	9.8
113.09705	100.0
165.12785	13.9
239.62099	10.8
244.78488	11.6
273.22314	11.9
317.21341	96.5
350.82901	12.2
372.72321	11.3
375.66269	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	392.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96165	1.0
50.96402	0.9
57.94732	1.0
59.01368	2.2
59.70900	1.2
68.25371	1.1
72.36092	1.1
92.19958	1.2
109.73977	1.2
115.59571	1.2
116.64469	1.1
120.01240	41.1
144.32484	1.1
149.68698	1.1
159.08263	1.4
179.09767	1.2
183.08115	4.7
185.06062	10.6
209.06079	6.3
212.60060	1.7
225.05554	4.8
227.07135	100.0
249.68108	1.3
252.37601	1.5
253.05072	98.0
267.53918	1.2
271.06125	56.6
343.05649	1.4
392.08188	18.4
392.16284	2.7
397.17300	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04218	8.2
54.04636	7.5
56.42961	8.5
59.01380	36.4
61.91929	7.4
66.15500	6.7
88.93460	7.8
90.38292	8.2
111.08154	17.4
117.65333	8.7
136.66467	8.4
165.12807	9.9
169.15274	7.4
182.42491	8.6
197.11827	92.3
215.10570	17.5
233.11562	100.0
276.13882	9.6
280.02872	8.1
291.19794	8.5
309.20776	58.8
331.18893	34.8
391.21219	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81784	9.2
52.98749	8.0
59.01384	79.3
71.50707	9.1
95.99327	9.2
99.46843	9.0
154.05775	9.8
160.87170	10.6
163.11357	11.9
165.12857	39.0
209.11795	48.0
213.94496	12.5
231.10025	45.3
247.20685	11.8
265.14893	9.6
291.19620	57.6
294.83414	12.8
309.17377	40.6
309.20755	100.0
331.18890	9.7
369.81137	10.5
391.21133	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98786	3.4
55.06696	3.5
59.01375	46.4
59.06019	3.3
59.36186	3.0
67.78522	3.5
94.91859	4.1
104.76310	4.0
115.99400	3.3
165.12769	5.4
171.10318	4.8
174.99176	5.9
217.00279	4.7
291.19611	38.0
309.20804	33.1
313.17850	21.5
331.18945	100.0
391.21136	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32145	0.4
55.62981	0.4
59.01376	100.0
70.16077	0.5
71.01369	5.9
73.02946	1.1
85.02954	2.3
87.00881	1.0
89.02433	6.4
95.01444	0.5
95.04581	0.5
101.02449	4.0
105.13362	0.5
110.71239	0.5
113.02428	3.2
114.58012	0.6
119.01737	0.9
119.03484	1.2
120.54966	0.5
128.00414	0.5
143.03424	0.6
161.04582	2.8
179.05678	2.5
312.83722	0.5
331.17691	6.8
391.19690	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04180	0.8
57.03440	1.9
59.01377	100.0
59.17907	0.9
71.01369	15.3
73.02924	4.5
73.33090	0.9
77.62214	1.0
85.02935	18.0
87.00839	8.1
89.02425	12.1
92.19952	1.2
101.02432	14.8
111.00874	8.2
112.47408	1.0
113.02416	6.3
119.03447	2.3
143.10777	1.2
151.70642	1.2
161.04546	6.3
167.14378	1.5
175.17503	0.9
179.05562	1.1
211.13411	5.9
229.14452	5.1
265.70615	1.2
331.17651	13.8
349.18533	2.2
391.10318	3.8
391.19931	23.2
391.24686	1.4
391.27197	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01378	100.0
69.03443	1.5
71.01367	20.3
73.02940	23.4
75.00838	0.8
83.01386	4.4
85.02940	8.2
86.25732	0.8
87.00863	1.4
89.02422	16.5
99.00829	1.9
101.02425	24.3
113.02431	13.3
115.93263	0.8
119.03486	3.9
131.03470	1.2
149.09703	1.8
155.51236	1.0
158.21672	1.0
161.04544	3.7
162.20412	0.9
167.10757	0.9
169.08672	1.4
187.13457	6.1
193.08563	1.0
217.81596	0.9
224.27454	1.0
237.07629	1.6
258.67111	0.9
331.13925	1.2
331.17609	16.0
347.13205	1.8
349.15100	1.4
349.18747	12.3
391.15103	10.1
391.20380	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00785	1.9
54.29972	2.0
55.46357	2.2
59.01376	100.0
61.27879	1.9
71.01377	12.0
85.02937	5.4
87.00870	4.1
89.02432	10.5
92.19335	2.9
101.02412	8.6
113.02428	2.4
135.53152	2.3
136.89577	2.2
142.36447	2.2
159.85922	2.0
167.10757	3.7
185.11809	2.3
200.92094	2.4
229.10800	4.3
331.17441	3.7
365.48233	2.2
391.10852	3.9
391.16138	21.1
393.05698	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11256	0.5
59.01375	100.0
65.62157	0.5
69.03426	0.9
71.01370	19.4
73.02934	33.9
79.29173	0.5
83.01381	6.8
84.23780	0.6
85.02925	5.2
89.02423	9.6
95.01372	1.2
95.37463	0.5
99.00890	0.9
101.02424	25.6
113.01660	1.1
113.02427	17.0
119.03484	3.1
125.02426	0.7
131.03490	3.3
141.09271	0.7
143.03528	1.0
149.04532	1.4
149.09691	3.6
158.06155	0.6
161.04549	5.9
165.38478	0.6
169.08669	1.1
221.06613	0.9
237.07756	1.1
275.67621	0.6
331.17560	2.5
391.15402	6.5
391.19800	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	3.3
59.01379	100.0
60.43071	2.5
61.55133	2.3
62.36794	2.3
70.47430	2.6
74.57008	2.4
85.02993	2.5
105.52354	2.6
119.86130	3.0
141.41052	2.6
142.82832	3.3
142.94266	2.5
143.25240	2.6
196.07211	2.8
211.09688	3.8
227.29341	2.9
250.14888	2.8
391.17783	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
63.35326	0.9
73.39094	0.9
74.37090	1.0
88.89422	1.1
96.44917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04180	0.8
57.03440	1.9
59.01377	100.0
59.17907	0.9
71.01369	15.3
73.02924	4.5
73.33090	0.9
77.62214	1.0
85.02935	18.0
87.00839	8.1
89.02425	12.1
92.19952	1.2
101.02432	14.8
111.00874	8.2
112.47408	1.0
113.02416	6.3
119.03447	2.3
143.10777	1.2
151.70642	1.2
161.04546	6.3
167.14378	1.5
175.17503	0.9
179.05562	1.1
211.13411	5.9
229.14452	5.1
265.70615	1.2
331.17651	13.8
349.18533	2.2
391.10318	3.8
391.19931	23.2
391.24686	1.4
391.27197	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18406	0.9
54.80126	0.9
56.76032	0.8
59.01376	100.0
60.08739	0.8
62.81451	0.9
63.88965	1.1
70.06425	0.9
160.65976	1.1
342.55914	1.2
343.29684	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89135	1.7
59.01084	3.5
59.01378	100.0
64.85745	1.8
71.01371	2.0
78.85305	1.8
116.05072	15.1
122.10078	1.8
167.14069	1.9
171.79028	2.1
199.98193	2.2
217.00246	4.7
243.12289	1.8
259.12396	2.5
277.80612	2.2
321.38013	2.1
349.58624	2.5
383.05231	2.1
391.13077	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37986	1.7
57.03463	2.5
59.01374	52.3
71.01376	21.6
73.02927	9.3
79.51524	2.0
79.92137	2.0
85.02937	4.8
89.02428	8.3
95.01370	2.2
101.02399	15.5
101.43673	2.1
106.15317	2.5
113.02409	10.7
125.02414	3.2
169.12288	15.9
172.01991	2.3
187.13370	49.7
199.13432	2.7
215.12910	2.5
251.67844	2.0
253.57759	2.2
287.40665	2.3
331.17685	24.4
349.18692	49.3
391.19748	100.0
391.26929	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.43864	1.1
69.03275	1.0
78.74429	1.0
79.23298	1.2
86.97818	1.0
92.19893	3.3
112.54118	1.2
131.68053	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53922	3.1
59.01378	100.0
116.05018	23.9
137.79074	4.1
154.22308	4.1
215.92616	3.7
217.00270	4.5
259.12421	5.6
391.12869	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70974	1.4
59.01375	42.9
71.01369	12.2
73.02927	6.8
79.40363	1.3
85.02934	9.7
87.00850	2.5
89.02409	3.3
93.27293	1.5
101.02425	13.8
101.03036	1.4
113.02440	5.9
119.03556	1.5
120.99628	1.3
125.02406	1.7
169.12363	1.5
187.13390	50.2
235.32855	1.4
271.44940	1.5
288.41980	1.5
331.17615	20.6
349.18701	79.4
363.22522	1.4
391.19748	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	391.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.5
60.19262	0.5
68.99781	1.0
69.03438	2.7
70.18802	0.6
71.01361	0.9
72.99315	0.6
73.01160	2.4
85.01151	4.1
85.02934	0.6
87.02726	2.8
89.02441	0.7
101.00625	1.0
101.02403	0.9
108.02109	1.2
109.06559	2.4
111.04449	2.1
111.08144	0.9
113.00621	0.6
113.02380	0.8
113.06079	4.6
115.07648	2.0
123.04482	4.4
127.07616	1.5
138.03218	2.6
139.07628	2.9
146.04015	2.4
147.04778	0.9
150.03177	2.7
153.05502	2.7
161.09750	0.8
173.08176	27.0
178.02693	7.1
182.00635	0.9
182.02193	18.7
189.09120	0.6
193.05060	8.6
195.08447	3.9
197.04565	22.8
203.09242	8.9
207.10283	4.5
211.13451	1.1
215.39771	0.6
225.11249	1.0
229.14383	0.7
231.10536	0.8
241.09042	11.8
243.12271	4.1
249.57811	0.7
259.09927	2.3
277.11139	38.7
277.83911	0.7
317.10272	0.8
347.11169	1.1
373.16727	1.1
391.10791	5.3
391.17957	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	391.1761
Annotation	Neocynapanogenin B
Peak:m/z	Relative Intensity
51.02683	1.4
54.59392	1.7
54.77000	1.6
101.86726	1.7
135.04489	10.2
137.02438	8.2
149.06050	3.1
151.04010	7.8
152.04756	24.4
154.71019	1.8
161.06042	7.7
162.06848	2.9
163.03983	8.2
164.04697	2.7
166.06319	2.3
175.07645	1.9
179.07082	10.4
180.07901	89.1
182.05849	3.7
191.07162	2.2
192.07968	15.5
192.97395	2.4
193.05029	1.9
194.05794	10.3
194.07491	1.7
194.09467	10.7
210.08965	2.4
212.06996	8.2
225.21500	1.7
226.08446	7.9
327.12286	2.0
328.09451	12.6
343.11902	16.5
358.14227	14.1
361.16553	14.0
373.16531	10.0
376.02039	1.7
391.17654	100.0
391.22797	3.8
407.48370	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	391.1765
Annotation	Neocynapanogenin B
Peak:m/z	Relative Intensity
52.18946	1.4
59.01361	10.0
59.16326	1.7
63.31367	1.4
85.02914	2.1
94.32200	1.7
117.92523	1.9
135.04529	11.4
135.38774	1.6
136.48250	1.8
137.02432	3.4
149.05983	2.1
151.03949	2.7
152.04793	13.4
161.06047	7.7
163.03961	5.7
164.04729	2.5
166.06335	2.9
170.37514	1.6
174.99210	1.7
179.07101	7.8
180.07896	57.5
182.05847	3.9
191.07054	2.0
192.07893	10.5
193.08876	1.7
194.05771	10.1
194.09471	10.8
201.79655	1.7
210.09105	2.9
212.06911	7.1
226.08398	5.9
311.09253	3.9
328.09576	2.9
334.26862	2.0
343.11783	11.2
358.14191	9.5
361.16507	10.3
373.16562	6.8
391.17612	100.0
391.26987	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	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71632	1.1
52.38229	1.0
57.03423	1.4
59.01374	100.0
63.07630	1.0
63.76666	0.9
67.39414	0.9
71.01372	12.9
72.99278	1.2
73.02927	12.1
83.01370	1.6
85.02941	9.1
87.00867	1.8
89.02440	11.0
101.02426	13.6
111.00846	4.4
113.02408	7.6
119.03484	2.2
147.98743	1.2
161.04535	1.6
181.78644	1.2
206.46635	1.2
285.08853	1.4
304.58215	1.0
347.17117	1.7
359.08835	1.2
391.20175	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	391.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22795	1.1
51.89143	1.2
55.01868	2.6
57.03439	1.6
59.01377	80.8
60.33383	1.4
65.10743	1.3
71.01376	35.8
73.02934	25.0
83.01366	9.8
85.02943	17.0
86.00051	2.0
89.02415	10.8
95.01381	2.7
99.00846	2.1
101.02441	45.6
101.11332	1.4
113.02434	17.6
119.03465	1.8
125.76912	1.4
136.34111	1.4
143.03471	1.7
161.04486	1.8
167.10759	2.3
177.66164	1.4
184.11732	1.4
185.11789	14.6
198.10005	1.5
200.30913	1.5
331.17551	2.0
347.17114	34.8
391.16040	100.0
396.77127	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	391.1299
Annotation	SN-38
Peak:m/z	Relative Intensity
58.00541	1.6
59.01377	66.9
60.63745	2.0
85.02933	1.8
116.05043	100.0
136.98520	1.8
153.35692	1.9
156.08186	2.4
161.46815	1.8
162.81091	1.8
162.82465	1.8
165.05518	2.0
168.08247	2.1
184.07587	2.6
212.53696	1.7
243.06508	2.0
244.10030	2.7
257.10843	2.3
259.12354	29.6
263.93298	1.9
285.13962	3.5
301.13327	3.7
331.10944	8.0
351.58786	2.4
391.13062	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90042	1.9
57.71226	2.1
59.01373	18.5
79.01455	2.0
83.76042	1.8
107.05027	18.4
108.02156	9.6
123.04523	17.3
134.03700	14.4
135.04503	100.0
137.02359	2.2
138.03249	4.5
149.07510	2.2
150.03282	2.7
151.03961	16.0
153.05606	2.8
165.05507	18.2
166.06319	10.1
166.99890	3.0
178.02679	19.4
182.02174	48.9
191.07362	2.6
193.05099	19.9
197.04538	62.5
216.19124	2.0
225.07680	14.6
248.14954	2.2
269.08157	5.2
287.34665	3.1
325.10309	2.7
343.11826	41.0
391.10147	11.8
391.14398	49.4
391.18805	5.5
391.26782	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
68.68793	0.8
71.01362	4.8
73.02921	6.1
75.00860	1.0
79.63297	0.8
83.01367	1.2
83.95630	0.9
85.69779	0.9
89.02415	1.0
91.06108	0.9
91.99696	0.8
94.40167	0.9
96.95992	15.4
96.96950	2.0
101.02414	6.8
113.02470	1.9
137.02422	1.2
153.01926	14.2
154.02715	1.7
161.04541	2.0
167.70155	0.8
168.04248	15.0
169.05008	2.0
169.18306	1.0
174.25053	1.0
331.10336	10.0
365.97852	0.9
391.16071	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	391.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
78.95895	5.3
79.05673	0.6
79.95731	1.0
87.16982	0.6
90.33775	0.5
96.95995	100.0
96.96905	10.3
102.05663	0.5
112.04627	0.5
113.07327	0.5
129.02669	0.6
137.02483	0.6
177.62460	0.7
241.66470	0.6
251.13934	0.7
276.13419	1.1
293.16336	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1219
Annotation	Shermilamine E
Peak:m/z	Relative Intensity
59.01368	33.1
65.90316	6.2
73.96986	6.6
85.02951	10.3
99.92559	44.4
116.92863	100.0
217.00278	12.0
236.80829	8.8
350.38324	7.9
391.12238	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54879	1.2
59.01379	57.7
61.78120	1.2
67.01898	1.1
67.09669	1.0
67.26895	1.0
71.01378	9.7
73.02934	17.1
75.00835	1.3
78.95916	1.6
83.01347	1.9
83.05009	1.9
85.02941	2.8
89.02423	5.2
90.84872	1.1
95.01335	1.7
95.05013	2.0
96.95997	100.0
96.96902	8.7
101.02422	11.6
108.02213	1.6
109.02950	6.6
110.03705	6.2
111.04494	2.7
113.02434	8.7
115.44998	1.2
118.83600	1.2
125.02424	1.6
125.06068	2.6
137.02435	28.4
169.05063	1.9
175.32626	1.2
217.27411	1.5
305.88504	1.4
343.15945	1.5
352.72122	1.3
391.12204	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	391.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90061	1.5
52.08942	1.5
58.14808	1.4
59.01373	10.9
59.25180	1.3
68.99802	3.9
73.77475	1.6
107.05040	14.5
108.02146	8.5
123.00864	3.3
123.04520	18.1
134.03748	14.7
135.04509	100.0
138.03227	7.0
150.03206	7.2
151.03983	13.8
152.04773	2.5
153.05582	8.1
165.05550	14.8
166.06236	11.8
166.99901	5.5
176.97165	1.5
177.05522	3.9
178.02711	26.0
179.03511	1.9
182.02200	65.7
193.05072	31.9
197.04544	78.9
197.68246	1.7
206.31860	1.7
213.66618	1.7
221.68951	1.6
225.07648	20.4
269.08121	10.1
317.10138	3.4
343.11868	25.2
364.12817	1.7
391.10022	15.3
391.14407	43.0
391.27011	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	391.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70261	6.4
54.82860	5.8
59.01383	15.8
71.01357	6.6
71.69890	6.9
73.02940	7.9
80.56134	7.3
93.03445	100.0
93.50370	6.9
99.09367	7.4
101.02373	6.8
111.04456	6.5
134.03749	99.1
137.02472	53.5
149.06088	27.4
150.86787	8.1
152.41534	6.1
155.03430	8.8
175.03969	15.9
178.02711	28.9
193.04988	82.9
206.22600	6.7
298.14282	6.6
331.08255	36.7
391.14105	7.7
391.18564	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70275	1.9
59.01383	17.4
67.18117	2.1
71.01379	4.6
77.20429	2.2
85.02933	2.8
92.19965	2.6
108.02161	11.9
123.04514	18.3
138.03233	13.6
150.03201	4.4
152.01135	50.5
153.05566	11.5
165.05496	4.4
167.03497	100.0
180.04367	3.0
193.01436	15.9
208.03792	31.8
223.06102	27.1
229.14452	15.2
339.58884	3.0
391.09949	27.1
391.19519	39.8
391.27109	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	391.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33104	1.4
59.01381	15.1
62.97152	1.7
71.01353	2.4
73.02943	3.8
85.02934	2.8
89.02436	1.7
96.96024	2.9
101.02411	2.9
134.03725	35.9
138.33124	2.0
149.06075	27.8
162.05554	2.5
164.85536	2.0
169.08730	2.0
178.02711	37.0
193.05046	100.0
208.03497	1.6
220.54565	1.7
254.88924	1.7
263.32520	1.9
313.70987	1.6
355.10303	14.2
391.07840	7.4
391.15900	6.8
391.20178	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	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
64.72726	4.5
75.88580	4.2
79.64833	4.2
83.46018	4.2
114.24332	4.9
197.45111	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	390.9648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55268	2.0
59.01379	81.3
71.16036	2.2
79.97076	2.2
85.02929	2.7
86.63369	2.1
94.32456	2.3
123.48265	2.2
125.03744	2.2
134.89424	3.4
158.93974	8.4
174.99216	42.5
210.92786	3.4
217.00287	100.0
323.56137	2.6
375.83115	2.4
410.21719	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	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68164	1.6
55.33771	2.2
59.01379	100.0
64.96323	1.9
68.54189	2.1
72.46046	2.1
73.27790	2.1
73.68259	2.5
76.02028	2.2
77.54613	1.9
80.12000	2.5
83.42497	2.0
88.80435	2.1
106.26219	1.9
148.05533	2.4
152.43704	2.1
177.57277	2.3
196.20470	2.1
216.33511	2.5
278.40735	2.2
290.85928	2.3
389.94675	2.5
392.41199	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	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69694	0.6
55.29542	0.6
61.98826	100.0
64.09644	0.7
86.54229	0.6
167.84212	0.8
197.79326	0.7
199.74934	0.6
229.39703	0.7
270.40091	0.7
403.27942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01116	1.2
53.95624	1.2
59.01377	100.0
61.06160	1.3
73.13707	1.3
115.62628	1.4
132.42860	1.4
135.92772	1.6
206.82120	1.8
218.25307	1.4
396.05917	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82894	34.0
66.91978	38.6
72.15076	38.0
78.69729	38.8
89.74725	40.6
101.03898	44.5
123.73412	39.8
212.52768	45.6
293.21204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70177	78.3
53.38849	75.5
58.59052	82.0
73.46877	91.4
85.13647	91.5
90.97121	100.0
263.68231	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79670	1.3
57.03451	1.8
59.01368	10.3
61.63237	1.1
61.94657	1.0
116.92838	1.5
119.15219	1.2
136.12904	1.3
136.90932	1.2
146.03737	2.8
151.03979	1.5
179.07047	5.0
181.28354	1.3
252.73836	1.3
288.65961	1.7
309.24396	1.7
311.22171	2.6
311.85114	1.4
312.10223	2.2
324.22977	1.4
327.12405	8.1
327.25519	13.0
329.23337	100.0
338.74622	1.2
389.17355	2.2
389.25464	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.45541	1.3
58.67488	1.7
59.01379	50.4
65.28258	1.6
65.66814	1.6
71.01374	27.8
73.02936	50.6
81.59788	1.5
83.01388	12.5
85.02927	7.4
88.52587	1.8
89.02425	10.9
92.38451	1.7
101.02426	32.6
113.02452	11.8
135.93758	1.6
167.10779	12.4
185.11790	2.1
329.16040	7.2
347.17120	14.1
389.18201	100.0
389.25620	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83462	1.6
57.03438	13.1
59.01377	71.8
68.65863	2.0
70.52354	1.9
71.01376	21.6
71.05009	2.3
73.02930	4.9
80.54423	1.8
85.02941	3.4
89.02430	21.6
95.01427	2.8
95.86398	1.8
101.02433	26.2
113.02419	13.7
119.03478	3.0
147.11755	8.0
165.12839	4.6
187.07753	2.0
209.11829	9.5
290.14001	2.3
301.14688	3.6
329.15866	4.0
347.48331	2.1
373.99591	2.5
389.18222	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40000	1.4
59.01091	3.2
59.01380	68.0
61.26841	1.3
71.01373	26.2
73.02937	8.5
76.05103	1.3
80.52917	1.3
85.02946	6.9
87.64131	1.4
89.02427	28.2
95.01382	1.6
99.00829	1.9
101.02425	37.0
113.02422	16.3
119.03466	10.6
127.58961	1.6
146.15762	1.5
161.04535	2.6
167.10693	1.8
185.11819	31.8
222.83330	1.6
329.15872	11.0
347.17038	37.1
389.18106	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46257	0.6
59.01377	100.0
71.14730	0.6
71.71504	0.5
85.68018	0.6
110.75098	0.6
114.11217	0.6
146.06120	0.9
147.06366	0.7
147.49017	0.5
215.12947	0.7
230.28285	0.5
232.50334	0.6
237.98059	0.5
329.23306	2.4
389.25394	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
58.42100	1.6
59.01378	43.4
65.43489	1.5
65.51582	1.4
71.01372	17.7
73.02930	16.9
83.01373	2.2
85.02930	7.2
89.02415	7.4
95.01367	2.0
101.02439	24.2
113.02405	7.9
113.03131	1.9
118.48561	1.6
167.10739	9.4
185.11818	15.8
303.17886	2.2
329.16046	9.5
347.17130	35.1
389.18140	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	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
54.22953	2.8
57.03452	24.8
59.01089	4.0
59.01375	60.0
65.08064	2.5
71.01357	22.7
74.31535	2.4
77.64400	2.8
78.72971	2.7
82.44039	3.0
89.02448	29.7
101.02421	21.2
102.22296	3.3
107.08665	3.1
113.02417	6.5
119.03479	4.9
120.99609	4.1
138.80571	3.2
144.60358	2.8
147.11713	10.3
209.11771	6.2
212.07933	2.6
236.21083	3.1
389.18216	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	389.1605
Annotation	4-[(2s,3r,4r)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dimethoxyphenol
Peak:m/z	Relative Intensity
50.25562	1.8
59.01355	2.8
71.00417	1.9
75.28440	2.1
79.80875	2.3
90.43993	2.0
93.97786	1.8
98.95559	3.0
99.65566	2.2
100.93340	8.0
101.02439	2.1
116.92822	24.6
148.05310	8.9
160.05289	19.4
161.06064	13.8
162.03236	3.7
162.06850	3.8
172.05281	57.7
174.03223	4.0
175.07631	12.4
177.05482	4.3
178.06325	19.3
187.07626	53.7
189.05383	2.2
190.06345	39.8
191.07120	23.6
192.04279	2.3
192.07991	3.5
205.08673	16.3
207.06628	4.1
208.07382	5.4
210.05321	3.5
232.03519	2.3
269.95343	2.4
308.07016	3.3
311.09372	3.0
323.09213	3.3
326.11606	3.1
329.13614	7.6
338.11771	3.0
341.13724	3.3
353.13913	3.6
359.15076	29.1
368.00748	2.5
371.14984	62.8
389.00711	4.6
389.16040	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	389.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.8
59.07958	2.3
74.99089	5.2
81.59079	2.7
82.86269	2.4
100.93336	5.7
112.23479	2.5
115.92030	4.4
116.92832	17.2
118.13817	2.7
121.02956	4.3
137.60439	2.6
146.03734	20.6
149.02417	94.2
161.06055	13.7
164.04790	48.9
165.05550	9.8
179.07103	35.1
180.07889	5.2
217.18150	2.8
281.08298	4.0
283.09824	11.1
312.10025	54.0
327.12399	100.0
336.28302	2.8
399.57797	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	389.161
Annotation	4-[(2s,3r,4r)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dimethoxyphenol
Peak:m/z	Relative Intensity
59.01372	21.5
61.70935	4.9
61.98804	4.8
67.27174	3.7
73.02924	15.5
90.36098	5.3
92.19302	5.4
101.02422	8.6
106.52208	4.6
124.25514	4.0
134.63853	4.2
135.04501	6.5
142.38168	3.6
146.36862	4.2
152.04831	6.0
153.24448	4.3
155.04538	4.4
179.07112	47.0
180.07899	100.0
185.15671	4.1
194.09447	6.6
195.10210	17.1
208.07426	31.9
223.09732	80.2
226.08398	7.5
247.48720	4.5
257.87256	4.6
285.11371	9.4
296.99384	4.4
325.10529	4.9
329.10318	20.1
341.10254	21.6
344.12485	5.3
359.14914	16.5
371.14871	17.9
389.15991	46.5
404.06787	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	388.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19951	83.1
58.18639	77.4
61.98780	86.5
71.80865	90.9
74.01560	97.2
84.89294	100.0
120.81636	98.8
186.67593	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35062	1.3
59.01379	20.7
68.36105	1.2
71.01376	6.2
73.02937	3.0
77.70585	1.3
80.60125	1.4
81.94559	1.3
89.02416	5.4
90.92216	1.3
97.06587	1.9
101.02420	2.9
109.02938	5.5
110.65588	1.3
113.02393	1.6
121.10240	2.7
125.06061	2.5
159.77525	1.2
161.02377	1.4
161.06035	1.5
183.10226	7.8
184.05193	2.8
187.04057	2.2
195.08032	2.0
211.07655	24.7
212.08430	26.2
213.09200	2.8
226.06404	2.3
227.07164	2.8
227.09302	5.8
228.04286	2.7
228.07947	3.3
243.06522	2.2
255.06627	100.0
256.07401	32.5
257.08075	1.6
268.07605	1.7
271.06277	2.5
271.09717	6.1
288.06372	3.1
301.10709	5.6
315.08749	89.9
329.19653	6.9
345.09720	17.4
347.20807	22.6
389.08719	9.7
389.13846	13.1
389.22186	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	389.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01085	2.3
59.01374	54.0
71.01360	14.1
72.99295	1.8
73.02927	2.9
74.99071	1.3
75.00861	100.0
85.02924	6.9
86.32872	1.1
87.00824	4.5
89.02428	14.6
95.01334	1.6
96.95990	5.2
101.02422	17.8
113.02422	9.0
117.01898	1.7
119.03465	4.7
120.61028	1.1
127.05180	1.3
135.31801	1.3
139.03961	1.5
152.01170	1.6
153.01871	2.9
154.07393	1.1
161.04550	1.6
165.09164	10.3
167.03491	5.5
167.07129	30.8
168.04268	11.3
183.06648	7.4
183.09221	1.5
195.06511	1.1
209.08212	6.1
209.66046	1.2
227.03720	1.3
237.06137	88.3
389.10126	5.2
389.14514	58.8
389.19406	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	388.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	1.7
67.45969	1.3
71.01375	22.0
71.62692	1.6
84.08624	1.2
88.04030	22.0
91.62953	1.3
95.49105	1.6
98.02480	1.7
105.01145	1.3
115.00352	30.2
115.05128	1.7
129.10341	3.3
130.08740	6.1
132.03018	17.3
143.11917	2.8
151.08792	1.7
152.07076	2.5
168.11404	26.1
185.12978	1.5
186.12466	19.3
201.12485	7.5
210.12469	100.0
214.15590	2.9
228.13522	29.8
229.11865	9.0
229.42999	1.4
272.16055	2.6
273.14594	2.0
344.14682	1.8
370.16351	2.1
388.17270	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70470	3.0
61.98827	100.0
100.93305	4.5
114.40903	3.3
120.97662	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.64772	0.9
93.56028	1.0
135.62411	0.9
140.77800	1.0
154.24152	1.1
162.54681	1.0
295.28897	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	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02456	0.6
51.53905	0.6
55.24697	0.6
57.47668	0.5
57.57804	0.6
58.49362	0.7
61.98828	100.0
64.52747	0.6
68.55382	0.6
77.43649	0.7
86.54362	0.7
102.05555	0.7
111.32757	0.7
145.35870	0.7
149.10327	0.7
281.09723	0.6
408.47177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
61.98828	100.0
91.25412	0.5
113.02454	0.5
157.90494	0.5
298.92197	0.6
357.49146	0.6
375.76288	0.6
388.20129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93640	1.2
51.81579	1.3
53.05882	1.2
56.71252	1.3
58.02984	2.3
59.01387	2.8
61.98839	13.6
71.01367	18.3
72.48550	1.4
85.06586	15.5
85.07339	1.4
88.04033	48.3
96.96600	1.5
97.58880	1.4
98.02470	1.9
99.00865	40.2
111.04498	2.8
111.08163	8.0
115.00349	22.2
116.92824	1.8
132.03011	13.9
166.12360	6.8
167.10782	13.2
184.13451	13.9
210.11348	1.5
211.09749	10.5
228.12401	100.0
229.10811	41.2
238.14362	1.9
282.13525	6.4
300.14624	5.8
326.12607	5.1
344.13443	51.4
344.17093	2.3
388.16254	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.225
Annotation	Lys Ile Glu
Peak:m/z	Relative Intensity
64.87487	0.8
71.01389	1.2
80.26351	0.8
82.04088	5.0
85.02916	1.9
85.61689	0.8
87.04499	6.1
94.39307	0.9
106.31848	0.8
112.05145	2.2
122.07217	11.4
129.10298	6.0
145.08664	5.9
152.84840	0.9
154.09824	1.4
159.10254	3.9
173.08160	6.1
181.05014	1.5
191.09238	17.6
193.14569	5.3
195.12527	6.5
199.10887	6.1
207.12512	1.9
210.12486	9.6
213.32986	0.9
235.15648	16.7
341.22076	4.0
344.22018	3.6
348.18503	1.0
364.71744	1.0
387.22516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	2.2
59.01381	27.1
73.02960	17.6
111.08187	11.0
117.90460	2.6
123.08157	3.9
127.69131	2.4
135.04538	3.3
139.07675	5.6
141.09219	3.5
281.26221	2.8
299.11328	2.7
327.21613	10.0
334.98288	2.4
345.22830	100.0
368.92758	3.2
387.23883	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63978	6.4
59.01369	36.7
88.25896	6.2
117.66508	8.7
220.44318	5.9
253.03555	6.6
280.02798	7.3
305.24893	100.0
330.89944	6.3
339.98358	7.6
387.24976	32.0
394.54883	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	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41251	1.7
57.08990	1.5
57.41610	1.7
59.01086	4.2
59.01378	100.0
60.54234	1.7
86.63200	2.3
130.13710	2.1
172.63683	1.8
282.05029	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	387.2027
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
52.80366	1.0
56.31860	1.2
57.03427	1.1
58.42643	1.4
59.01374	75.6
61.45186	1.2
63.97905	1.1
71.01373	36.9
72.67311	1.1
73.02937	9.0
83.01372	2.9
85.02933	10.9
89.02427	27.3
95.01388	4.7
99.00838	1.9
101.02428	31.0
110.63159	1.2
113.02428	13.2
119.03484	8.1
123.69744	1.2
130.32661	1.4
143.03477	1.3
152.08450	2.9
161.04573	3.0
165.09164	1.9
188.78592	1.1
207.13818	1.6
224.94661	1.2
225.14961	5.7
258.73322	1.2
381.68665	1.3
387.16229	5.1
387.20285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44106	0.5
53.54758	0.6
58.02968	0.9
59.29103	0.6
63.24076	0.7
65.01096	0.6
73.16139	0.6
82.04096	5.3
85.02926	1.6
87.04502	6.4
96.95982	0.9
101.06070	0.8
108.05757	0.7
112.05140	2.8
122.07222	9.3
127.07654	0.8
129.10349	5.3
141.10353	0.7
145.08710	5.5
154.09824	1.2
159.10185	6.2
173.08179	5.6
181.05092	0.8
191.09233	13.8
192.51410	0.8
193.14606	4.4
195.12454	3.7
198.10144	0.9
199.10895	6.8
207.12651	1.0
210.12473	7.0
225.13651	0.7
235.15640	15.6
341.22369	2.3
344.21948	5.9
387.22528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.41634	2.2
55.88297	2.0
59.01379	100.0
71.01373	26.3
71.91763	2.3
73.02940	97.9
75.44626	2.5
83.01365	13.4
89.02417	5.0
101.02430	49.2
113.02415	15.2
121.10215	37.3
131.03436	3.3
146.27626	3.0
147.82530	2.5
149.04527	3.5
161.04631	9.4
169.36143	3.0
170.51920	3.2
221.06729	2.6
231.45729	2.9
310.86081	3.0
383.65012	2.7
387.16699	37.0
397.48312	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	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60679	1.8
59.01376	100.0
71.01361	29.8
73.02932	89.6
80.43752	2.2
81.47923	2.3
83.01385	16.6
89.02416	10.8
92.19922	3.3
93.56194	1.9
95.25526	2.2
95.33498	2.2
101.02428	60.1
108.48317	2.2
113.02422	16.1
121.10191	35.5
131.03539	3.2
137.02406	2.9
139.64629	2.0
143.03432	2.7
149.04495	3.0
153.05501	2.8
159.04457	2.7
160.05243	8.9
161.04514	9.3
177.05565	28.3
178.06308	13.4
180.04260	2.5
181.08237	3.5
187.04005	3.9
188.04749	5.3
192.07903	11.6
203.07162	14.2
203.69833	2.7
206.05885	4.1
221.08182	13.3
282.36591	2.5
326.52957	2.3
338.53964	2.3
339.08630	3.7
343.62082	2.1
357.13553	4.3
369.13391	10.8
387.16794	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.02804	1.6
65.05861	1.5
68.15122	1.3
71.01359	3.7
73.02955	2.8
85.02939	2.1
87.00854	1.8
99.08147	7.6
101.02422	3.1
110.64940	1.4
116.91643	1.5
125.09727	6.8
127.11271	10.0
139.11279	25.8
141.09215	2.0
151.08876	2.0
157.12317	10.7
165.12843	3.8
183.04501	2.2
187.09746	10.6
196.06601	1.8
249.02249	1.6
280.61084	1.6
290.13983	2.5
327.21765	10.1
341.11029	1.7
345.18683	3.3
345.22800	79.8
387.19046	2.7
387.23947	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1452
Annotation	Flustramine D
Peak:m/z	Relative Intensity
52.34308	5.9
53.75060	6.2
54.34591	5.0
59.32488	6.3
60.78074	6.3
116.10778	8.6
161.88506	7.1
172.66670	7.8
234.38002	7.4
284.30240	7.0
299.09247	13.7
327.08777	12.2
357.09723	100.0
359.32986	8.5
372.11853	14.8
385.97699	8.2
387.14316	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29786	2.7
55.95480	2.6
58.98364	3.1
59.01377	100.0
61.88078	3.0
61.89522	2.9
62.92869	3.2
66.49028	3.2
71.01374	45.6
73.02948	24.9
77.39493	2.8
85.02917	33.6
89.02428	17.1
92.20001	6.2
95.01362	17.6
101.02425	53.4
101.08049	3.4
103.17632	3.5
105.82049	3.9
113.02425	74.1
119.03485	6.6
121.10231	26.4
149.04568	4.7
161.04517	6.9
169.15494	3.4
267.90955	3.3
273.42871	3.6
383.32999	3.5
387.16632	26.8
404.12451	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24919	0.3
65.09061	0.4
71.01392	0.5
71.31237	0.4
74.63763	0.4
79.95729	8.4
94.34811	0.5
94.98069	27.8
101.02429	1.0
115.00337	0.6
133.01399	1.7
165.05551	0.7
207.06909	3.9
214.41273	0.4
225.07996	3.1
249.41734	0.4
268.02512	0.5
286.23459	0.5
329.46378	0.4
369.12314	2.6
387.13315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77370	4.1
51.06170	4.0
59.01375	99.4
62.49314	4.9
68.28338	5.3
71.01354	20.7
73.02940	8.6
83.01404	5.8
85.02953	8.2
89.02415	5.9
91.05523	10.6
92.58721	4.9
93.03407	6.9
96.95988	6.8
98.70515	5.1
101.02421	22.9
103.05546	20.3
106.04210	7.3
109.03922	5.2
109.06561	93.6
110.03714	24.1
111.08157	6.9
113.02438	7.6
119.05028	9.8
121.06583	100.0
139.07664	46.0
154.24464	6.0
165.05513	10.2
211.45657	6.3
387.22598	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	387.1297
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
55.90698	1.6
59.01379	61.9
62.28342	1.6
67.46613	1.5
71.38209	1.7
84.87800	1.7
86.37572	1.7
89.02442	2.3
101.02422	3.3
102.98572	2.3
113.02444	1.8
121.02937	19.2
123.04504	96.6
123.05403	3.3
149.06006	3.6
165.05516	10.8
166.06363	24.8
180.36966	2.0
181.08728	2.4
205.72552	2.1
225.05559	3.8
225.07680	100.0
387.12558	3.9
387.17010	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	387.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
62.17029	2.0
62.17404	1.9
68.38576	2.1
71.01367	2.1
98.06203	2.2
115.37057	2.7
121.02913	2.0
145.02957	9.8
146.03302	4.4
147.04567	2.9
173.10814	2.8
182.07388	8.4
193.06604	5.1
195.08141	3.0
209.06123	21.2
210.06868	87.7
211.07646	11.6
212.08426	3.1
222.06886	12.4
223.07610	12.0
225.05670	3.7
226.06244	5.5
227.07112	2.8
237.05620	4.7
239.07088	19.5
240.07977	12.9
241.21069	2.2
254.05862	47.5
256.07214	2.6
266.05847	3.7
269.08093	16.9
283.06161	3.5
284.07098	3.2
298.04959	5.2
313.07220	44.8
316.68640	2.1
343.08289	100.0
387.20511	2.8
387.24695	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	387.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73945	1.3
54.29123	1.2
57.78523	1.1
59.01377	46.0
63.27897	1.3
63.42414	1.1
71.01369	26.1
85.02924	2.4
87.00851	1.5
88.14265	1.3
89.02425	62.7
101.02427	32.8
101.28568	1.4
104.99923	1.4
112.89238	1.4
113.02411	19.0
119.03485	29.2
122.28659	1.3
131.03415	1.8
138.03204	2.9
149.04585	2.0
161.04515	2.4
173.28017	1.4
179.05580	8.7
182.62392	1.6
209.77324	1.4
341.10886	100.0
387.11392	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	387.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10172	0.8
52.31081	0.7
56.04203	0.8
58.02978	4.1
59.01368	4.3
61.48072	0.7
70.02957	5.2
74.02467	23.8
87.00867	2.0
91.64321	0.9
96.95997	100.0
96.96985	4.0
98.02456	4.3
114.93412	1.2
116.03522	13.7
116.05041	4.2
142.06638	1.5
150.97874	1.1
201.10324	5.1
203.08267	46.2
203.10175	1.5
236.35545	1.0
245.09297	59.9
289.08261	1.5
304.15457	0.9
307.48212	1.0
341.10715	1.5
343.06009	1.0
387.20258	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	387.057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65105	1.1
55.85015	1.3
59.01383	13.4
59.90486	1.5
71.01380	16.2
72.99307	1.9
85.02937	2.5
86.01395	1.3
87.00881	1.4
89.02413	21.0
92.19349	1.7
101.02454	10.9
113.02441	6.2
115.00359	36.1
119.03477	7.9
121.02821	1.3
122.03715	3.2
123.04513	20.4
133.01419	100.0
134.41779	1.4
135.74426	1.3
138.03296	2.0
153.05556	2.4
165.05559	40.7
179.05627	3.1
181.05109	2.0
253.03458	2.6
341.10980	26.4
387.11346	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	387.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60407	1.4
53.09369	1.5
53.24386	2.1
55.44569	1.8
58.75406	1.6
59.01376	87.4
62.39168	1.8
69.31094	1.6
91.58064	1.6
117.48565	1.7
122.31469	1.6
122.65987	2.3
141.01692	100.0
153.25719	1.8
171.01424	1.8
182.34601	2.1
201.70532	2.1
210.92839	3.3
223.01974	12.8
287.23160	2.6
305.02310	2.2
344.75876	1.9
385.37482	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	386.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54368	2.7
56.72633	3.1
56.94294	2.9
57.12677	3.8
60.59489	3.1
64.01914	4.4
65.99838	5.2
67.51608	3.1
71.01382	5.6
72.99302	44.8
73.64800	3.1
76.58004	3.6
84.91883	2.9
85.02935	16.5
85.86728	3.3
85.95583	2.9
86.22961	3.6
108.04538	18.5
118.02955	7.0
122.02451	6.5
133.01607	3.7
133.02921	5.1
134.02473	8.1
144.04524	48.5
150.05608	6.3
162.01930	6.8
162.05611	71.8
164.03514	7.1
177.00446	3.9
177.01923	17.2
188.03519	100.0
206.00916	7.3
206.04526	21.2
223.04582	8.4
224.01981	4.9
224.05174	7.8
386.07150	62.1
386.11020	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39280	1.8
53.98070	1.7
57.03448	2.7
57.47087	1.8
58.00579	2.3
59.01381	45.6
72.68710	2.0
73.02941	21.4
85.35887	2.3
111.08137	5.1
121.10233	2.4
123.08134	8.6
124.33874	2.2
127.07721	2.5
134.43265	2.2
139.07616	11.3
141.09196	12.1
155.10760	3.0
173.08124	2.4
185.22650	2.2
203.09219	8.3
299.18597	9.3
314.28503	2.2
325.20248	24.3
343.21259	89.1
385.22302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03995	17.1
57.89789	19.7
57.91500	18.8
61.62329	19.0
67.60668	19.4
133.29010	26.5
303.23306	100.0
355.81024	28.4
378.66068	26.3
385.23834	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2235
Annotation	Oleandolide
Peak:m/z	Relative Intensity
53.03993	6.0
60.96206	6.4
79.37132	7.1
101.98839	6.6
119.05000	6.6
143.81679	6.4
245.01523	7.9
267.19669	100.0
275.16354	7.6
293.17493	51.1
385.22403	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2233
Annotation	Oleandolide
Peak:m/z	Relative Intensity
50.82563	1.7
57.03437	2.2
58.00588	2.8
59.01384	31.6
59.72645	1.8
63.07293	2.2
69.03442	2.5
73.02933	28.5
89.34406	2.3
92.19382	3.2
98.41826	2.6
98.51476	2.2
111.08150	4.4
121.10193	13.3
123.08120	4.7
139.07645	16.9
141.09200	10.9
149.89670	2.4
150.64827	2.2
173.08189	3.5
203.09218	23.2
216.01320	2.4
226.73529	2.6
262.24960	2.6
325.20193	23.9
336.68848	2.9
343.21210	87.0
385.22400	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	385.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68791	2.3
59.01365	4.1
74.50075	3.2
85.02954	12.5
89.56693	2.7
90.25250	2.9
92.19969	2.8
95.48933	3.4
137.87883	3.0
165.70750	2.5
173.17856	3.1
179.67859	2.9
190.42937	3.1
223.04500	12.7
249.18558	3.9
253.96925	3.2
258.10895	3.9
267.19662	100.0
275.16415	6.3
293.17572	39.0
385.22293	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18641	3.9
54.21659	3.9
57.03429	4.2
59.01378	68.1
59.30560	3.3
59.78821	3.1
62.69168	3.7
71.01376	52.3
73.02941	5.0
76.49249	3.4
83.01373	6.3
83.44093	4.3
85.02943	39.4
89.02429	21.6
101.02440	20.6
111.00837	7.0
113.02419	18.4
121.02925	16.8
138.06863	6.9
151.07605	18.2
152.08408	14.6
153.09200	100.0
159.24374	3.7
161.04520	15.2
162.57263	3.7
163.11287	4.1
164.04759	5.0
165.51955	3.5
205.03490	4.1
205.12306	28.5
223.04449	31.3
223.13347	17.3
385.11343	5.5
385.18671	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
68.23500	0.5
88.51358	0.5
89.40891	0.6
130.24959	0.6
159.75436	0.6
180.83044	0.6
256.62793	0.6
268.78177	0.6
309.49408	0.6
387.62109	0.6
408.28564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
50.35947	1.8
57.03445	4.4
59.01379	92.2
61.51162	2.2
71.01365	49.4
73.02914	17.2
83.01377	3.2
85.02940	21.9
87.00874	3.6
89.02432	34.4
93.04738	2.3
95.01391	2.9
97.02975	2.5
98.95576	2.9
99.00825	2.7
101.02438	32.3
106.55785	2.2
108.79208	2.5
113.02441	31.0
119.03496	10.8
123.08059	2.7
125.06087	4.0
136.86346	2.0
137.09695	9.0
138.06853	11.8
139.07617	4.5
142.14737	2.5
151.07649	21.5
152.08405	25.4
153.09203	100.0
161.04536	19.9
184.78949	2.3
205.12340	37.9
219.04762	2.4
223.13359	22.8
246.37538	2.6
325.20111	16.1
385.14380	3.7
385.18481	33.9
385.22906	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46089	0.3
53.82397	0.3
59.01380	100.0
65.09344	0.4
68.93088	0.3
73.02934	0.4
85.40823	0.4
91.65954	0.4
100.52645	0.4
102.26641	0.4
179.85730	0.4
216.30214	0.5
235.48271	0.4
249.89484	0.4
385.22720	0.7
401.78433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.15
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29154	0.7
59.01376	100.0
65.94276	0.7
66.96674	0.8
67.13146	0.9
73.02925	1.1
85.02952	1.4
121.06569	18.4
135.58833	0.8
161.87679	1.1
162.27525	0.9
223.04497	1.8
236.85847	0.9
254.89348	0.8
297.07550	1.3
323.05527	0.8
343.21121	3.5
385.22220	4.7
386.48975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04044	0.7
50.23669	0.6
50.97572	0.6
51.18348	0.7
54.87252	0.6
58.16911	0.7
59.01379	100.0
85.02970	1.0
88.01260	0.8
101.83620	0.7
105.41065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
67.50253	0.6
73.02943	0.6
85.02921	0.7
92.19400	0.6
92.57587	0.6
113.02425	0.7
121.02931	0.6
223.04660	0.9
243.55937	0.6
303.97891	0.5
382.53873	0.7
385.22391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
62.20341	1.1
68.94605	1.3
71.01360	2.9
78.67082	1.4
85.02947	7.1
87.42661	1.4
97.43041	1.3
101.02357	1.9
101.17957	1.4
104.44633	1.1
125.06071	1.6
137.26056	1.2
167.03552	1.7
189.73022	1.5
197.50618	1.4
223.04529	7.9
255.06903	2.5
279.61472	1.5
280.88409	1.3
343.17590	2.0
348.11343	1.3
349.30396	1.3
369.89978	1.4
385.18546	2.3
385.22659	2.7
388.41849	1.5
400.58261	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30496	1.1
57.03449	2.0
59.01374	87.6
60.09278	1.2
62.65826	1.4
62.78671	1.3
71.01376	21.2
72.60551	1.3
73.02927	9.0
82.89578	1.2
83.01379	9.0
85.02934	28.2
85.31488	1.2
86.00050	1.5
87.00865	2.0
89.02424	1.7
101.02425	25.4
111.00838	5.5
111.50517	1.4
112.01669	2.2
113.02422	13.8
113.97832	1.4
122.03731	2.6
135.04489	3.2
141.01904	1.4
147.71443	1.3
155.03719	1.3
161.04547	2.3
166.06311	27.1
167.07071	3.2
181.01492	1.9
181.07143	2.8
181.08701	61.9
195.06561	2.9
223.04530	7.8
310.10590	2.6
325.12915	100.0
343.09882	2.1
343.13989	49.5
361.44202	1.7
385.14816	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	385.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83777	4.6
59.01378	100.0
71.01382	7.5
79.33386	5.0
85.02950	42.1
101.02428	9.3
111.00851	12.1
118.42242	5.7
125.09711	11.0
151.07518	6.5
178.70114	5.3
180.05823	12.3
205.03442	8.2
213.07684	28.1
223.04515	26.2
272.61865	5.9
343.11798	37.2
343.21228	23.0
385.18155	6.8
385.22198	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	385.1293
Annotation	(-)-5-Methoxybalanophonin
Peak:m/z	Relative Intensity
53.79014	2.5
71.85677	3.3
73.06184	2.9
78.21273	2.9
78.80400	2.8
85.02930	7.4
103.67639	3.1
111.00845	5.4
112.27802	3.2
121.69579	3.3
162.36678	3.6
168.01451	2.9
170.49710	3.1
195.58334	2.9
203.38466	3.1
204.03387	3.5
223.04503	15.4
247.07486	3.1
252.27852	2.8
283.08951	3.4
299.09158	24.1
327.08755	25.8
355.08270	100.0
370.10535	23.1
385.12885	62.8
385.17307	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	385.129
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
57.86201	0.8
59.01373	2.5
62.37413	0.9
64.02354	0.9
67.80844	1.1
73.54090	0.9
85.02927	4.2
94.32063	1.1
101.02377	1.1
102.16617	1.1
107.80068	1.0
125.82650	1.3
128.51768	1.1
160.01617	15.4
161.02437	26.7
195.06612	12.3
223.04599	4.6
240.13205	1.1
279.06714	2.0
281.08255	1.9
283.09686	1.1
293.08218	4.6
295.06229	1.1
295.09622	2.1
296.07101	7.6
297.07663	7.6
298.08505	2.2
299.09158	2.4
309.07889	2.3
310.08511	11.1
311.09320	13.7
325.10785	12.7
326.11533	1.9
327.08862	4.3
337.07211	4.6
338.08047	1.5
339.08755	5.2
353.10318	4.6
355.08197	43.1
369.09802	1.4
370.10620	43.0
385.12933	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	385.1139
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
56.51168	0.9
57.06702	0.9
58.40425	0.9
67.94315	0.9
85.02933	5.3
97.19032	1.0
111.00932	1.2
121.02959	1.1
123.64535	1.1
131.65324	0.9
135.04478	1.5
149.02417	36.1
154.97569	0.9
163.03992	1.9
164.04787	100.0
177.89890	1.1
179.07124	25.4
193.01389	2.4
203.70731	0.9
205.03436	1.6
208.03760	36.4
223.06166	79.7
229.74088	1.1
230.12091	1.0
385.11343	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	385.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82808	0.2
59.01384	2.9
63.22245	0.3
71.01378	2.5
73.02918	0.3
79.95724	16.5
80.96506	0.4
85.02938	2.2
86.36844	0.3
87.00861	0.5
89.02425	1.3
94.76469	0.3
96.95998	2.1
99.00832	0.4
101.02419	3.6
111.00862	0.4
113.02419	1.8
115.86509	0.2
129.01906	0.6
146.03693	0.3
147.24406	0.3
161.06073	0.4
163.03931	0.6
164.04779	0.7
205.03510	0.6
205.05373	8.5
205.53691	0.3
223.04581	1.3
223.06453	3.8
235.09674	0.3
265.07516	1.4
307.14066	0.3
385.11749	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	385.1139
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
56.68779	1.1
60.90633	1.4
70.41022	1.4
103.34163	1.5
137.02383	1.9
149.02432	25.8
150.49782	1.5
152.01089	3.4
163.04007	3.6
164.04787	65.6
179.07133	22.0
183.89980	1.6
193.01442	10.8
208.03758	85.6
208.05704	3.3
223.06123	100.0
263.45892	1.6
287.72961	1.6
319.68939	1.5
385.11325	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85706	1.1
54.52348	1.4
57.03437	2.1
59.01380	27.1
71.01359	1.4
83.01361	2.5
85.02933	32.2
91.14832	1.4
92.19942	1.7
99.54928	1.2
101.02433	3.0
103.66822	1.4
105.01905	2.5
107.05006	7.4
111.00861	16.4
119.05003	100.0
129.01912	7.7
131.31320	1.4
135.04527	15.7
137.06190	1.3
163.03992	64.1
167.69704	1.4
181.05052	68.7
205.03586	15.4
223.04567	43.0
325.09293	10.8
343.10281	24.0
385.06784	1.9
385.11417	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	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	9.5
59.01376	7.4
61.97462	1.1
71.01382	2.9
73.02944	2.5
75.00854	1.4
79.33334	1.3
83.01388	1.9
84.18559	1.6
85.02435	2.1
85.02943	60.9
93.03439	6.3
101.02418	8.3
103.00316	1.4
111.00862	30.6
119.05009	13.6
122.67802	1.4
129.01927	19.3
135.04520	5.3
147.03035	2.7
158.46349	1.1
161.04579	1.5
163.04013	7.3
173.04482	2.8
179.03566	1.5
181.05064	10.4
182.86343	1.4
187.02451	1.7
205.03511	33.8
223.04585	100.0
385.11462	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	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18969	1.0
55.01891	1.5
57.03449	10.6
59.01385	7.3
65.68714	1.0
71.01378	2.9
71.96825	1.6
73.02903	1.4
82.85198	1.2
83.01375	2.1
83.68481	1.1
85.02940	100.0
87.00864	1.6
101.02431	9.8
105.38570	1.2
111.00871	30.8
113.27422	1.2
114.39141	1.1
118.58907	1.4
129.01936	18.3
135.04512	3.0
147.02928	6.8
161.05998	1.1
172.84174	1.2
179.03476	2.0
179.05403	1.5
187.02451	1.6
191.01953	9.3
205.03488	29.0
209.03093	1.9
220.49915	1.6
223.04593	84.8
293.79736	1.2
323.74646	1.6
385.07825	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	385.1143
Annotation	Axitinib
Peak:m/z	Relative Intensity
52.05301	0.7
57.03425	1.5
59.01374	5.2
59.20256	0.7
71.01376	1.1
72.99319	1.4
73.02938	1.8
83.01379	0.9
85.02944	14.5
85.28841	1.2
93.03447	5.1
96.41573	0.9
101.02452	3.3
107.05027	12.2
111.00856	6.9
113.02422	1.3
119.05010	36.1
121.02957	1.0
129.01936	3.7
135.04515	24.2
137.02432	7.6
137.06087	5.5
161.04652	0.8
163.04001	27.1
181.05061	100.0
189.66975	0.8
205.01920	1.0
205.03534	8.8
207.06622	6.6
222.09030	2.0
223.04559	21.4
223.06633	1.1
223.09703	4.0
235.93559	0.8
237.88956	0.8
242.04187	1.1
343.10260	0.9
356.44510	1.0
385.11472	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
74.29244	1.0
86.06784	0.9
86.83645	1.1
187.99066	1.2
265.23395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22067	0.7
69.03451	0.9
71.01377	1.0
73.02929	28.1
73.58339	0.8
75.50729	1.0
75.58418	0.9
81.03442	1.7
83.05025	6.6
85.02933	4.7
93.03444	71.7
99.00861	11.4
99.04514	11.6
101.02421	1.5
111.04503	40.7
126.98832	1.7
128.88335	0.9
129.01941	6.5
131.08250	1.6
137.01439	1.6
137.02437	28.9
143.03517	8.6
155.03506	19.9
170.39691	0.8
173.04536	100.0
194.54984	0.9
224.80206	0.8
311.08154	0.9
380.78354	0.9
385.05414	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04934	1.7
87.00859	17.7
103.12553	2.3
146.02412	10.2
173.02425	2.6
193.15915	2.1
222.09210	34.6
237.07939	74.0
248.07095	2.2
252.10255	15.6
262.08722	20.4
269.06949	62.9
287.64911	1.8
290.08289	23.4
294.11151	2.4
309.82056	1.9
322.10498	6.7
324.08771	9.4
384.10886	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	384.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
76.68831	1.1
79.89106	1.4
82.06617	3.0
99.47213	1.2
110.06076	2.7
127.38791	1.2
133.05342	2.7
134.06105	22.4
137.03589	2.1
139.08749	1.5
153.06676	41.3
160.04039	11.5
166.07480	2.2
180.09064	2.9
195.15065	2.9
196.84933	1.3
206.11823	14.0
223.14503	21.5
245.12997	1.8
273.12360	4.9
331.20023	1.2
384.19278	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	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22044	1.2
59.01378	100.0
62.75581	1.5
71.48820	1.2
84.29272	1.2
85.48312	1.3
87.00868	9.0
97.06612	10.4
104.54874	1.7
106.53183	1.3
111.04464	1.6
116.93684	1.2
119.05003	30.3
121.02930	18.4
122.03706	5.7
130.99791	1.8
147.04474	8.3
158.97543	1.4
163.04034	2.4
164.04797	3.1
191.03499	2.5
192.04335	1.9
205.89485	1.4
219.10219	1.9
383.13474	31.1
383.20798	2.4
404.50031	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2076
Annotation	Perseanol
Peak:m/z	Relative Intensity
59.01375	55.5
70.63763	3.1
73.02948	7.0
83.06070	3.2
85.02921	3.5
92.20017	7.5
109.06576	12.8
111.08125	8.1
112.47974	3.1
121.06528	4.1
131.08649	3.4
137.09676	3.7
149.09703	35.4
173.08109	29.5
203.09128	3.1
236.86356	3.4
323.18710	14.7
341.19733	100.0
383.20834	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07150	0.6
50.38120	0.5
52.49130	0.5
54.61077	0.5
56.26683	0.5
56.94937	0.5
59.01377	100.0
72.29403	0.5
78.95892	0.8
87.00874	0.8
89.02406	1.0
96.95998	13.8
96.96955	2.1
107.46174	0.5
113.16039	0.6
144.37949	0.6
152.99715	0.6
161.04549	0.6
161.05861	0.6
163.75180	0.6
171.12549	0.8
188.56477	0.6
198.59337	0.8
362.70123	0.6
383.12662	1.1
383.17160	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	383.1347
Annotation	Spicatolide G
Peak:m/z	Relative Intensity
59.01373	1.7
67.66465	0.7
72.19240	1.0
87.00865	16.3
90.58624	1.1
97.06581	9.4
100.95343	0.9
107.05018	16.3
111.04498	3.7
112.05299	22.5
121.02943	44.1
122.03733	9.8
123.04483	2.0
137.02417	2.3
140.60373	1.0
147.04523	26.5
148.05299	8.9
163.03981	16.6
164.04778	7.6
165.05501	1.9
172.05302	1.0
176.89796	0.9
191.03487	8.0
191.30455	0.9
192.04213	6.4
193.05101	1.5
201.09230	12.5
219.10153	2.0
291.08682	1.1
303.75742	1.0
323.11353	5.5
351.10886	3.9
383.13474	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	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
87.00859	17.9
92.19301	1.5
97.06572	29.8
102.90240	1.4
107.05017	7.0
111.04500	7.5
112.39797	1.3
121.02070	2.4
121.02937	58.6
122.03730	19.8
123.04494	5.8
125.33427	1.1
131.88885	1.3
135.04507	2.1
147.04518	28.4
148.05307	10.0
163.04008	22.3
164.04761	6.5
165.05548	1.3
169.34869	1.1
173.99544	1.2
191.03510	10.8
192.04237	9.0
201.09253	2.0
219.10272	6.4
250.81847	1.2
261.11404	1.3
291.08649	1.8
297.53995	1.3
323.11331	7.2
383.13474	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	383.1136
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
59.01366	6.3
60.28434	3.5
67.71918	3.8
80.80041	3.6
107.45937	3.9
108.39040	5.0
192.53601	3.7
192.95927	3.6
193.05019	7.8
245.28017	3.9
279.06601	18.3
282.05399	5.4
291.06702	4.6
293.08139	4.7
294.05386	8.7
297.07776	6.2
309.07544	15.3
310.04871	8.6
322.04776	29.9
323.05582	18.6
323.09744	6.0
337.07162	94.5
338.04251	18.4
338.07953	4.4
351.08716	8.2
352.09644	29.7
353.06558	55.1
353.10175	5.0
368.08966	25.6
383.11304	100.0
383.15848	7.1
396.19107	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	383.1136
Annotation	(2,4-cis)-3',4-Methylenedioxy-4,5,8-trimethoxy-[2'',3'':7,6]-furanoflavan
Peak:m/z	Relative Intensity
54.18933	3.1
59.01383	100.0
63.57944	3.6
64.62006	3.4
66.67883	3.7
81.55930	4.4
96.96030	6.4
101.02415	5.1
113.74944	3.8
120.13943	4.2
126.08221	4.1
135.71310	4.3
193.05138	7.0
196.78949	5.0
213.37515	5.1
215.54552	4.4
222.06825	4.6
277.05127	5.7
279.06491	15.9
282.05478	5.6
294.05338	6.1
297.07904	6.8
308.06992	6.7
309.07648	19.1
310.04724	7.2
322.05002	33.9
323.05643	18.3
337.07211	98.5
338.04315	18.6
338.08121	8.5
351.08786	7.6
352.09595	33.4
353.06644	87.9
353.10370	11.7
368.09021	19.2
383.11356	95.2
383.21414	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	382.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48066	0.8
52.75531	0.8
59.19205	0.9
61.98814	1.5
62.88779	0.9
67.81940	1.0
86.22226	1.0
86.65968	0.9
89.64454	1.1
140.25188	1.0
146.40227	1.1
162.10475	4.4
163.11281	100.0
174.13704	1.0
196.57147	1.3
206.15500	70.6
243.82535	1.1
278.18500	1.4
360.20248	1.2
382.27548	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84917	3.6
59.01376	22.2
71.01370	22.1
87.00842	5.2
96.99296	9.1
99.00851	6.2
101.02410	19.8
101.53680	4.4
105.01935	20.4
111.00864	17.2
113.02419	6.6
119.03524	4.7
124.01660	9.0
124.20616	4.4
127.00335	17.3
139.00320	9.3
139.03992	20.2
145.01402	8.0
151.03958	5.5
151.78699	4.8
161.02444	18.2
161.81065	4.2
177.01854	8.8
183.58066	4.0
189.02003	4.3
190.02693	6.6
191.03552	5.5
218.02097	9.7
219.03130	4.7
237.04042	96.1
270.26657	4.8
288.94910	4.7
293.03116	5.7
323.09949	4.6
383.06198	100.0
383.10745	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	383.0984
Annotation	Isofraxidin glucoside
Peak:m/z	Relative Intensity
53.05052	1.1
60.58192	1.3
61.58475	1.3
63.43460	1.1
67.52054	1.5
73.97090	1.2
75.00861	9.8
87.00855	1.4
90.52127	1.2
92.69180	1.2
98.28073	1.2
119.04997	45.0
135.04448	1.4
139.82959	1.3
145.02931	100.0
157.61259	1.3
161.02426	3.0
163.03992	96.1
221.04567	21.8
230.64090	1.5
383.09842	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47388	0.4
59.01369	3.1
61.92371	0.4
61.98829	100.0
68.81673	0.4
73.12043	0.4
79.52538	0.4
83.78664	0.5
87.00909	0.7
237.13615	0.5
294.18121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
64.45830	0.5
89.13457	0.4
91.45721	0.5
96.95997	0.9
140.97179	0.6
155.05412	0.5
175.02716	7.8
176.03516	100.0
190.01482	2.4
219.01862	0.6
220.02483	4.4
240.15657	0.5
268.16760	0.5
382.07770	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1004
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
51.85745	0.6
63.96814	0.7
71.01373	7.4
73.50953	0.6
80.31451	0.5
89.15679	0.6
97.69403	0.7
100.00412	0.8
115.00358	13.2
134.04718	100.0
162.07843	11.1
187.84154	0.8
188.05952	0.9
193.64120	0.7
206.06816	26.9
227.73631	0.7
232.04851	0.8
250.05789	1.2
266.08932	4.7
273.44287	0.9
382.10059	48.1
404.25684	0.8
407.79755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56842	2.5
59.01373	18.4
82.02963	18.2
84.04534	31.7
85.02943	23.1
98.93691	3.5
100.04034	19.5
105.01186	3.5
119.16748	3.1
121.02933	18.0
122.03660	3.3
128.03520	42.2
129.01909	4.9
134.03729	24.3
149.06111	15.2
176.03506	6.6
200.92899	3.4
211.10277	3.8
218.08131	3.7
219.08995	61.3
219.12332	3.3
235.08432	5.5
236.09294	4.9
250.10854	29.3
264.08789	6.7
278.10342	100.0
296.11423	67.3
338.12405	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63321	9.0
101.74965	7.0
105.43518	8.5
110.76069	7.1
128.32574	7.0
156.68503	7.4
177.47755	8.8
177.98524	7.3
199.13423	100.0
342.04010	8.9
363.25531	10.8
379.07550	9.6
381.25854	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	382.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64014	0.3
60.19939	0.3
123.27885	0.4
132.04530	0.6
148.04004	0.5
174.01897	0.4
175.02739	9.2
176.03510	100.0
190.01410	2.7
220.02499	5.3
263.49374	0.4
338.08942	1.3
353.23648	0.3
382.07782	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97399	5.9
59.27179	7.2
199.13403	11.7
206.10814	8.5
217.00241	7.9
277.18143	100.0
279.19720	16.0
295.19159	99.3
302.58630	7.3
363.25513	9.6
381.26425	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	381.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
73.98598	4.9
85.78185	5.0
96.95983	45.3
132.68050	4.9
220.24062	5.5
381.23068	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	381.1922
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
59.01386	10.6
68.16094	2.2
69.03464	2.7
70.28558	2.1
71.05017	5.6
78.83179	2.5
79.62009	2.1
98.00076	9.3
110.47619	2.4
113.86616	2.6
120.03799	2.1
121.06573	3.2
135.71072	2.6
137.09734	5.2
153.53484	2.2
180.85158	2.4
187.90259	2.5
191.14334	3.0
261.90442	2.4
275.20142	4.8
293.21161	9.8
293.50140	2.3
295.16766	2.2
301.18045	4.8
319.19159	31.8
320.60605	2.7
337.20410	3.9
339.18091	18.1
363.14182	3.7
363.18243	56.9
381.19266	100.0
381.23697	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86956	0.7
57.45762	0.6
59.01369	0.9
61.41378	0.6
66.41243	0.7
81.08784	0.7
102.64489	0.7
137.09726	1.4
195.30583	0.7
245.19179	1.5
247.20689	1.1
273.18552	1.2
275.20016	1.4
285.95981	0.8
300.24362	0.8
319.19122	1.2
335.18741	1.2
337.20230	54.9
381.19196	100.0
402.97824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.192
Annotation	Viguilenin
Peak:m/z	Relative Intensity
58.00594	0.5
59.01392	0.8
69.05154	0.5
89.14091	0.5
101.88579	0.5
103.03985	0.5
112.63914	0.5
137.09717	3.4
239.19087	0.6
245.19130	3.4
257.19220	0.7
263.20129	0.7
273.18384	0.6
275.20160	1.0
291.19632	1.0
306.18515	0.6
319.19360	1.0
337.16980	0.6
337.20227	58.1
381.19220	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	381.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92457	0.8
59.01373	0.7
63.18813	0.7
69.03448	0.9
108.78359	0.6
113.06117	0.8
137.09695	1.3
245.19112	1.0
249.27773	0.7
257.18936	0.8
263.20105	1.1
273.18527	1.3
275.20206	1.3
319.19186	1.2
335.18765	1.1
337.20230	60.5
381.19214	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	381.1919
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
52.07413	1.5
52.22264	1.6
52.90561	2.0
55.24565	1.9
59.01086	3.3
59.01380	100.0
61.95354	1.8
71.01371	46.1
85.02934	11.5
85.20506	2.3
89.02438	65.5
101.02406	25.5
113.02428	22.1
119.03468	21.9
128.71791	2.3
143.03476	2.3
144.81172	2.1
152.98267	2.0
179.05588	4.2
215.30354	2.8
219.13838	2.1
285.13086	2.2
339.43854	2.0
381.19226	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.56689	1.3
61.79388	1.3
69.06083	1.2
71.01370	7.3
71.94318	1.2
73.02958	3.9
76.97007	1.9
85.02947	2.6
90.98591	1.2
94.98044	3.0
95.01370	1.4
101.02409	2.9
111.31770	1.4
113.02465	2.1
161.04594	2.1
177.01921	3.2
225.09293	1.8
243.10223	2.3
244.28555	1.4
248.07269	1.4
279.14551	8.3
321.12103	1.6
321.15436	11.1
381.11755	2.0
381.19559	3.8
402.06116	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	381.1917
Annotation	Viguilenin
Peak:m/z	Relative Intensity
51.84965	0.6
52.19905	0.5
59.01384	6.3
61.62326	0.7
63.46824	0.6
71.84159	0.6
80.31033	0.7
125.02296	0.6
137.09692	1.5
185.47711	0.7
242.79646	0.7
245.19121	1.0
249.02786	0.8
263.20200	0.7
281.03979	0.7
337.20218	58.8
381.19196	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	381.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.9
63.01266	1.6
65.74274	1.4
71.01375	3.7
73.02933	10.3
74.99100	2.7
89.02441	1.8
92.30619	1.5
97.02984	1.8
101.02412	3.6
104.55003	1.8
136.57397	1.5
137.02425	6.2
139.79353	1.7
150.67314	1.6
159.05623	14.3
161.07245	6.3
173.07193	11.8
176.05872	8.0
177.06683	24.0
189.06613	2.5
191.08267	34.0
199.08733	3.1
203.08212	12.8
205.04346	2.9
205.06177	67.7
217.09805	9.8
219.07761	40.3
219.11372	8.2
227.08282	2.7
245.09314	45.4
255.11693	1.7
293.11469	6.4
301.33633	1.8
321.10941	100.0
381.08328	2.6
381.12814	26.5
381.17850	10.9
392.06699	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	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
62.60255	0.9
66.25182	1.1
66.70254	1.0
87.00881	1.3
102.98585	2.3
161.14449	1.2
177.01817	1.9
190.71338	1.1
283.05081	1.8
321.15448	1.8
350.52530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
59.77381	1.1
62.60744	1.0
71.01374	1.4
78.31989	1.2
84.68969	1.1
87.00851	2.3
89.02451	4.6
101.02455	1.3
103.95733	1.1
113.60527	1.1
115.92573	1.2
121.10220	1.6
121.27738	1.0
147.92981	1.1
164.50807	1.0
170.73557	1.2
189.09152	1.3
191.83551	1.0
219.10326	1.8
241.43082	1.2
277.24008	1.2
282.53903	1.3
328.91367	1.2
345.15503	10.0
349.09454	1.3
381.11844	12.3
381.19345	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1192
Annotation	Inumakilactone C
Peak:m/z	Relative Intensity
56.64717	1.0
59.01371	1.8
69.78436	0.9
71.01363	1.1
83.01382	0.9
93.03438	1.0
95.40174	1.1
97.06586	2.1
117.03425	4.0
121.02929	17.7
122.03734	4.4
135.04477	2.1
145.02936	100.0
146.03726	23.7
147.04459	1.4
163.04004	41.8
164.04778	37.6
165.05577	1.6
175.15770	1.1
180.04205	1.7
222.83743	1.3
243.10211	11.4
363.10895	14.6
381.11902	45.2
381.19244	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	380.1561
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.95131	0.8
57.74991	0.9
59.01378	12.1
59.30218	1.0
71.01370	33.0
71.05009	1.8
73.02919	1.0
85.02937	1.5
88.04017	5.9
89.02436	14.9
96.96000	1.9
101.02427	9.1
113.02423	7.9
116.03524	1.3
119.03464	4.4
128.07137	2.3
146.08220	99.2
155.66196	1.0
263.11450	1.3
308.13391	2.4
354.51227	1.0
380.15640	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	380.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42292	0.8
52.61791	0.9
59.01389	1.8
68.81985	1.0
71.01372	24.2
71.05019	2.4
71.38355	1.1
78.95908	5.9
83.95432	1.0
85.02927	1.3
87.00972	1.0
88.03477	2.6
88.04027	61.8
89.02424	1.3
96.96007	5.3
96.96944	8.7
101.02430	5.5
113.02427	1.8
116.07138	1.3
146.08221	100.0
161.04576	2.5
166.06548	1.1
174.11511	1.1
200.18533	1.2
216.76649	1.4
218.10309	2.3
282.08301	1.1
288.04395	1.3
308.13629	4.3
380.15649	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42770	0.2
55.17507	0.2
57.28903	0.2
59.01376	24.0
71.01344	0.2
87.00834	0.3
89.03943	0.3
104.09509	0.2
105.03448	0.4
113.02422	0.3
118.50036	0.2
122.51507	0.2
124.41541	0.2
133.02911	3.3
137.16211	0.2
176.01120	1.8
177.01917	100.0
188.70447	0.2
188.72134	0.2
189.09167	0.3
235.18887	0.2
279.14572	0.2
321.15588	1.7
381.08243	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	380.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.7
59.40604	0.8
60.93243	0.9
63.71792	0.9
71.01369	21.1
71.04996	5.3
71.63931	0.9
73.02934	1.2
84.56808	0.8
85.02923	1.7
88.04022	59.6
92.19468	1.0
99.00803	1.1
101.02431	6.2
102.63032	0.9
102.93243	1.0
113.02402	1.7
116.07169	1.1
146.08215	100.0
161.04616	3.1
173.24287	1.0
174.11264	1.1
181.05081	1.7
182.05397	1.7
258.98953	1.5
308.13470	4.3
318.05737	1.1
344.10681	1.3
380.05606	2.0
380.15619	93.1
403.99313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15603	11.1
53.29154	8.8
53.47506	8.1
100.66280	11.5
115.00175	9.5
219.03583	12.9
224.21164	11.5
362.83887	12.0
379.28687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1563
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
50.42292	0.8
52.61791	0.9
59.01389	1.8
68.81985	1.0
71.01372	24.2
71.05019	2.4
71.38355	1.1
78.95908	5.9
83.95432	1.0
85.02927	1.3
87.00972	1.0
88.03477	2.6
88.04027	61.8
89.02424	1.3
96.96007	5.3
96.96944	8.7
101.02430	5.5
113.02427	1.8
116.07138	1.3
146.08221	100.0
161.04576	2.5
166.06548	1.1
174.11511	1.1
200.18533	1.2
216.76649	1.4
218.10309	2.3
282.08301	1.1
288.04395	1.3
308.13629	4.3
380.15649	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2852
Annotation	Persin
Peak:m/z	Relative Intensity
56.20642	3.3
56.58549	3.3
59.89057	3.3
66.25354	3.6
67.04210	3.5
69.73244	3.6
83.56747	3.2
90.12091	3.5
90.92260	4.3
99.06117	4.2
99.92563	8.6
111.62585	3.5
115.92085	4.8
116.92826	21.1
234.87750	3.9
279.23337	8.3
347.25781	7.3
379.15710	8.0
379.20691	4.2
379.28561	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	379.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29523	7.6
54.65855	8.1
57.45833	8.3
59.01385	10.6
73.65915	9.8
111.43672	10.1
116.92870	14.0
129.80093	9.2
143.07303	11.1
159.77374	9.9
171.10249	11.3
279.23251	17.9
297.24350	100.0
379.24387	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	379.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18911	0.4
57.32410	0.4
59.01355	0.8
61.33348	0.4
61.79980	0.4
66.18778	0.4
73.02941	1.7
75.71988	0.4
83.04993	0.5
84.69595	0.4
85.06541	0.6
87.04516	0.5
87.44760	0.4
91.88812	0.5
97.06588	0.8
109.06583	1.8
111.08125	2.5
115.07597	0.6
125.06058	2.0
127.07616	0.5
129.09109	0.7
139.07645	6.3
145.08669	6.4
153.09377	0.6
156.96245	0.5
167.10753	4.6
173.08284	0.4
232.13052	0.8
333.22842	1.0
361.21912	0.9
377.21796	2.1
379.23352	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	379.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18911	0.4
57.32410	0.4
59.01355	0.8
61.33348	0.4
61.79980	0.4
66.18778	0.4
73.02941	1.7
75.71988	0.4
83.04993	0.5
84.69595	0.4
85.06541	0.6
87.04516	0.5
87.44760	0.4
91.88812	0.5
97.06588	0.8
109.06583	1.8
111.08125	2.5
115.07597	0.6
125.06058	2.0
127.07616	0.5
129.09109	0.7
139.07645	6.3
145.08669	6.4
153.09377	0.6
156.96245	0.5
167.10753	4.6
173.08284	0.4
232.13052	0.8
333.22842	1.0
361.21912	0.9
377.21796	2.1
379.23352	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	379.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04960	0.6
59.01377	100.0
59.04214	0.6
59.10625	0.8
69.03438	0.8
71.01346	5.9
75.49355	0.8
79.83937	0.8
85.02943	3.7
89.02436	9.7
92.19887	0.7
101.02413	3.8
101.03050	0.8
110.02518	0.7
111.00847	1.1
113.02415	5.0
119.03482	3.4
129.94142	0.7
143.03484	0.9
161.04462	0.9
165.12827	0.7
179.05615	7.3
201.11310	7.7
209.11852	9.8
319.17459	3.2
379.19412	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14949	0.7
51.08911	0.6
51.74176	0.5
52.55783	0.5
55.37495	0.6
59.01377	100.0
61.38866	0.6
77.47366	0.6
109.76237	0.7
214.28073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09011	1.3
59.01377	100.0
91.89582	1.3
186.98863	1.4
190.24030	1.6
192.63766	1.6
217.57228	1.6
276.75415	1.6
351.14490	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	379.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
87.00862	1.0
140.15657	0.8
150.03166	1.0
175.07623	1.2
188.56487	0.7
200.06760	1.0
236.98625	0.8
238.79405	0.8
281.18582	0.7
283.07358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.0
65.36422	1.1
71.01385	10.5
85.02934	5.3
89.02412	13.0
97.63171	1.3
101.02427	7.7
113.02423	6.6
119.03470	2.8
125.09716	1.5
137.09698	4.9
155.10779	49.8
169.12138	1.4
171.10255	18.6
173.11856	2.3
199.09735	9.5
201.11334	5.8
213.11243	9.3
217.10817	68.4
259.11932	2.5
379.16058	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	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76472	0.6
59.01083	1.1
59.01376	32.1
60.52535	0.6
71.01372	12.4
71.20042	0.8
73.47074	0.9
85.02932	4.3
87.00855	1.8
89.02425	12.4
95.01350	0.9
100.84441	0.7
101.02430	10.2
111.00829	1.0
113.02407	6.9
119.03476	4.8
137.09676	3.6
155.10768	49.1
171.10255	21.1
172.10460	0.8
173.11819	3.1
185.11868	1.7
199.09767	9.9
199.13264	0.9
201.11337	4.7
213.11378	10.1
215.12918	1.1
217.10797	63.2
241.10762	1.4
259.11810	4.5
379.16037	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	379.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31489	0.8
59.01378	100.0
71.01365	3.6
73.02940	1.8
85.02941	1.0
89.02413	1.9
101.02426	5.5
101.59297	1.0
113.02423	3.5
119.03483	1.3
121.92897	0.9
161.04489	0.9
170.47876	0.8
175.09627	0.8
258.22275	1.0
319.13977	6.3
335.13501	1.8
379.11472	2.3
379.16019	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	379.1582
Annotation	DMH-1
Peak:m/z	Relative Intensity
50.72021	1.2
66.95205	1.3
69.61445	1.9
77.80843	1.8
82.35165	2.0
84.93868	9.4
85.71648	1.8
99.23890	1.8
99.92571	60.6
100.93373	14.1
107.69557	1.5
115.92054	14.7
116.92848	100.0
118.19490	1.6
151.46315	1.6
239.75420	1.8
279.23227	9.5
347.25992	2.4
379.15860	76.4
379.28537	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	378.1502
Annotation	dansyllysine
Peak:m/z	Relative Intensity
59.01362	4.9
60.73695	2.7
64.22668	3.2
70.38389	3.1
80.04622	3.6
99.92567	84.2
100.93344	7.8
113.09686	4.3
114.18623	3.4
115.92019	4.9
116.92841	19.7
196.14244	7.8
226.50594	3.3
227.83636	3.3
278.22083	7.4
295.22668	4.1
296.23035	51.4
314.10300	3.8
318.21213	22.3
342.12836	6.3
345.07773	5.3
360.13971	100.0
378.14978	86.2
378.22833	13.5
385.60989	3.6
392.13037	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	378.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
74.97894	5.4
82.54035	6.0
83.05897	5.7
85.89434	6.2
87.82191	5.4
125.87580	6.7
140.87297	6.3
190.77359	6.8
203.86731	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	379.1397
Annotation	[3aR-(3aR*,4S*,5R*,6E,10S*,11R*,11aS*)]-2,3,3a,4,5,8,9,10,11,11a-Decahydro-5,10,11-trihydroxy-6,10-dimethyl-3-methylene-2,9-dioxocyclodeca[b]furan-4-yl ester  2-methyl-2-propenoic acid
Peak:m/z	Relative Intensity
52.01086	1.3
59.01374	13.7
59.13937	1.7
61.81893	1.3
70.46109	1.6
76.58579	1.3
83.08366	1.5
92.40668	1.4
97.06566	6.9
100.88658	1.6
103.77148	1.3
123.04508	25.9
123.08155	31.7
125.09702	24.2
131.27444	1.4
133.06558	2.6
141.09300	2.0
151.07625	38.5
165.05605	3.0
169.08688	24.4
175.03943	2.8
195.06615	8.7
212.52051	1.8
213.07689	100.0
273.14926	3.5
312.02542	1.5
361.13028	6.1
379.13971	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2331
Annotation	16-Hydroxybacchasalicylic acid-15-O-acetate
Peak:m/z	Relative Intensity
59.01375	100.0
59.09983	1.6
164.08426	3.3
317.21204	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	377.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26075	5.1
57.77367	5.1
59.01377	100.0
67.60609	5.3
80.92479	5.8
83.83900	5.8
88.85022	5.5
216.41768	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	377.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70773	3.7
52.94369	3.9
56.91042	4.9
59.01377	100.0
63.06413	4.5
79.55678	4.6
120.70863	5.5
136.84239	4.7
156.82384	5.5
308.37643	4.3
377.08328	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	378.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67052	1.3
59.01372	5.6
71.01369	26.6
72.00897	63.4
73.02931	3.1
87.00870	1.6
89.02419	1.8
96.95992	27.2
99.00862	2.3
99.04530	2.0
100.04021	1.8
101.02435	14.5
105.32228	1.3
111.01648	1.3
113.02431	8.5
126.05585	80.3
144.06682	5.9
161.04570	15.4
174.90160	1.5
288.10925	16.5
306.11899	13.5
374.02679	1.9
378.14075	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	377.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	29.3
79.01736	6.2
158.89555	6.0
183.64366	6.0
195.13922	45.1
277.21622	49.8
295.22784	100.0
317.21008	57.1
377.23019	67.6
396.76031	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	377.2331
Annotation	16-Hydroxybacchasalicylic acid-15-O-acetate
Peak:m/z	Relative Intensity
56.05326	2.7
59.01377	100.0
66.52924	3.0
78.18668	2.9
87.05989	3.4
92.70235	3.1
104.96747	3.3
165.37079	3.7
186.93796	3.2
231.44843	3.8
287.20276	5.3
319.32623	3.6
328.95587	4.1
377.23288	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	377.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02024	2.0
66.02408	1.9
98.38252	2.1
100.70288	2.3
126.73178	2.2
141.12845	14.4
155.14398	4.4
215.52475	2.3
249.22243	15.6
295.22784	100.0
295.76935	2.2
317.20972	3.6
377.23029	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	377.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01373	3.9
69.03447	4.1
71.01389	1.0
73.02934	1.4
75.00851	0.9
85.02947	1.5
85.06563	1.0
87.04493	1.3
96.96009	1.1
97.06561	3.8
109.06580	6.1
111.08126	1.3
115.07607	3.3
125.09756	0.7
127.07607	1.6
139.07660	4.3
141.09242	1.6
145.08693	0.9
149.09695	0.9
153.09218	1.6
154.52538	0.8
167.10718	3.7
171.10251	0.9
173.08144	10.3
174.12030	0.8
203.09254	1.2
221.51782	0.7
225.11249	2.7
261.13531	10.1
276.45374	0.7
303.31152	0.7
317.19617	3.3
335.13290	0.9
377.14886	7.9
377.21823	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	377.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	20.2
71.01375	2.5
71.05022	1.8
72.99306	1.4
85.02937	11.0
89.02448	2.2
101.02428	1.9
101.06070	5.6
111.08127	1.9
113.02446	1.2
116.17088	1.0
153.09190	1.3
159.10254	5.2
173.11801	2.0
180.06628	2.4
241.09787	4.9
253.17992	1.9
273.20193	1.0
289.20242	5.1
317.19684	100.0
335.16928	2.0
335.20767	45.3
341.10687	1.5
377.08969	11.0
377.14355	5.1
377.21780	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89798	1.1
57.03445	1.4
59.01375	100.0
60.39989	1.1
68.79588	1.1
71.01371	18.7
73.02925	6.1
83.01381	2.2
85.02937	9.6
89.02397	2.3
95.01350	1.4
101.02435	20.9
109.47865	1.3
113.02437	11.0
161.04575	2.4
173.15556	1.9
176.67720	1.2
223.77847	1.3
254.33475	1.2
274.36597	1.2
335.20731	29.9
377.21698	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	377.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43618	0.4
51.69390	0.5
54.91692	0.6
57.03442	1.3
59.01375	1.2
69.03443	4.5
71.91040	0.6
73.02938	0.6
83.33252	0.6
85.02930	1.1
85.06569	0.8
87.04483	1.0
97.06575	3.0
109.06559	5.5
111.08134	2.3
115.07622	2.6
116.04739	0.9
125.06015	0.8
127.07623	2.7
139.07648	3.4
141.09183	2.8
145.08644	0.6
149.09714	0.8
153.09174	1.1
155.10799	0.8
167.10698	4.1
173.08192	11.5
197.11780	0.9
203.09331	0.6
225.11340	1.4
228.71754	0.6
261.13434	12.5
317.19623	0.8
335.20532	0.7
377.21802	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	377.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01377	100.0
71.01374	22.4
72.12157	1.0
73.02942	7.5
79.41913	1.0
83.01366	2.3
85.02914	10.5
87.00883	1.6
89.02415	11.7
95.01363	1.1
99.00891	2.0
101.02428	19.0
113.02420	15.1
126.64394	1.0
159.02863	1.2
161.04510	5.5
283.24240	1.2
317.19785	1.9
319.15430	1.2
335.20755	31.9
377.21671	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	377.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
66.18151	1.4
67.52927	1.2
67.82198	1.3
71.01379	6.7
78.09184	1.4
83.49912	1.5
99.00892	1.6
101.02406	2.0
102.98582	2.9
113.02399	1.5
122.48831	1.7
154.86794	1.4
196.03781	1.6
213.24127	1.3
335.20590	2.7
377.16052	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	377.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19841	0.6
54.25135	0.6
55.39572	0.6
56.24639	0.6
57.43499	0.6
59.01376	100.0
71.01369	7.6
73.02940	3.6
83.01346	0.8
85.02934	4.1
99.00870	1.1
101.02433	6.9
113.02420	3.0
124.08195	0.7
161.04622	1.0
223.75490	1.0
229.09892	1.2
231.36252	0.7
247.79880	0.7
276.76483	0.8
294.65359	0.8
317.19626	0.8
335.20636	5.3
377.17096	0.7
377.22009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07823	0.8
55.37621	0.7
59.01375	100.0
65.05081	0.8
71.01367	2.2
71.67767	1.0
73.02944	1.9
76.10747	0.9
85.02945	1.9
92.19376	1.2
98.84303	1.0
101.02438	4.7
113.02419	1.6
124.22752	0.9
129.65820	1.0
160.29373	1.1
197.72495	1.0
241.05164	0.9
273.44595	1.0
317.20029	1.1
335.20801	5.2
377.08530	1.2
389.99158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	8.0
59.42220	1.6
93.00322	1.6
104.67121	1.7
109.14289	1.6
113.64996	1.7
187.10472	1.7
240.40431	1.8
264.20633	1.7
279.23270	100.0
293.08957	3.9
361.15326	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	377.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80240	0.8
53.73077	0.7
59.00038	0.7
59.01376	100.0
67.43989	0.6
71.01366	6.0
73.02924	3.0
73.60614	0.8
74.44139	0.7
83.01382	0.9
84.96405	0.7
85.02945	1.8
89.02392	0.8
101.02441	6.7
113.02406	3.5
121.06546	9.2
129.09204	1.2
130.41406	0.8
139.11264	8.3
142.91788	1.0
161.04550	1.3
259.17017	7.1
261.18576	21.6
287.16428	4.6
294.36749	0.9
305.17618	18.2
333.17102	7.7
335.17050	0.9
335.20798	6.8
377.15997	34.7
377.28912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27802	1.1
59.01087	2.7
59.01376	56.6
71.01379	16.1
73.02931	21.3
75.00853	1.6
83.01363	4.9
83.62180	1.0
85.02950	2.0
87.00885	1.2
88.23881	1.1
89.02420	16.8
99.04472	1.2
100.07136	1.2
101.02418	25.2
113.02419	8.4
115.03985	1.6
119.03502	8.5
135.88124	1.3
155.10768	25.4
173.11839	12.8
317.16037	6.1
333.16928	1.3
335.17123	43.0
335.20813	2.3
377.18179	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	377.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
59.62975	0.8
70.37817	0.8
76.02454	0.7
94.52955	0.8
96.09222	0.7
106.04209	1.2
107.05014	13.9
112.79700	0.9
117.03455	3.6
123.04477	3.9
133.02911	1.3
134.03729	61.9
135.04512	100.0
151.39871	0.9
165.05560	27.7
181.05089	1.6
193.08675	9.1
196.07379	5.0
197.08157	1.0
211.09749	1.0
214.88625	0.7
282.08984	3.9
329.13934	55.8
377.08688	1.3
377.16232	1.8
385.18015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86022	0.8
53.89466	0.8
58.89103	0.7
59.01377	28.5
69.50869	0.8
71.01376	11.0
71.53495	1.0
73.02929	5.3
76.52934	0.8
77.96230	0.8
83.01388	3.4
85.02943	5.9
87.00861	3.4
89.02435	1.0
92.19931	1.3
92.85729	0.9
95.01337	1.0
99.00821	1.1
101.02432	11.7
103.92896	0.8
113.02441	4.1
125.02437	1.4
152.72255	1.0
155.10725	1.6
163.66310	0.9
173.11813	48.8
185.11790	1.4
271.60947	1.1
317.16040	19.9
335.17111	75.2
377.18158	100.0
385.76300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42842	0.6
59.01376	4.6
75.21336	0.6
83.65418	0.7
85.26870	0.6
92.19956	1.0
107.05022	15.6
108.02187	1.3
123.04485	0.8
134.03732	6.6
135.04510	100.0
143.94940	0.7
152.01131	2.7
165.05544	28.4
167.03488	1.2
181.04973	1.4
193.08444	0.9
196.07350	1.2
196.53081	0.7
211.09790	0.8
251.66641	0.8
325.83801	0.7
329.13977	1.0
341.11136	1.2
360.18503	0.8
377.08347	7.0
377.16193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1606
Annotation	Gibberellin A125
Peak:m/z	Relative Intensity
59.01380	43.2
65.08058	1.1
71.01368	1.5
71.30618	1.2
81.86472	1.3
92.19920	2.0
97.06614	1.2
101.02429	2.9
121.06581	29.3
139.11287	37.5
149.06055	3.0
188.43448	1.3
214.70775	1.3
224.85716	1.3
250.01462	1.5
259.17004	29.8
261.18637	43.5
271.17062	2.4
287.16522	16.1
289.17868	1.4
305.17566	47.0
333.17090	14.7
335.20721	1.6
377.16049	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	377.1453
Annotation	Lamiol
Peak:m/z	Relative Intensity
57.03447	4.7
59.01377	22.9
62.17733	1.1
71.01373	10.6
73.02929	2.2
77.50203	1.0
83.20728	1.2
85.02920	7.9
87.00858	2.4
89.02434	11.5
89.96437	1.0
97.89350	1.2
101.02437	11.5
107.50823	1.1
111.08112	2.0
113.02423	6.2
119.03495	1.7
125.09698	9.4
135.08102	1.1
139.07593	1.3
153.09198	38.7
169.08687	5.6
171.10245	28.7
173.08208	1.5
177.99867	1.1
197.08186	10.3
215.09219	32.9
228.02681	1.2
257.10422	8.8
317.12354	2.5
317.19540	7.9
328.99368	1.1
335.13504	1.8
335.20840	2.5
377.14539	100.0
377.21725	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	377.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06057	1.6
59.01374	29.5
59.66949	1.3
60.05127	1.4
66.23624	1.2
71.01357	15.0
73.02911	2.1
85.02903	5.8
87.00826	2.5
89.02425	13.2
91.86493	1.6
95.85046	1.4
101.02438	12.1
109.07801	1.4
113.02402	2.4
123.77727	1.5
123.96692	1.3
125.08976	1.6
125.09705	26.6
132.04549	1.7
133.05331	2.3
138.05569	1.8
153.09210	23.3
155.10757	3.4
167.10782	3.2
169.08670	2.4
171.10249	40.0
176.70828	1.5
186.09190	7.7
197.08119	5.7
199.09752	1.6
215.09280	25.5
229.09767	17.1
257.10172	2.7
257.12766	2.0
273.08771	7.1
301.08267	6.0
317.19598	7.1
335.20776	3.0
377.09872	12.2
377.14447	100.0
377.21869	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	377.1421
Annotation	Go 6976
Peak:m/z	Relative Intensity
55.34210	2.0
55.43958	1.5
60.69860	2.0
68.99926	2.3
71.45856	2.3
83.28565	2.0
84.31506	1.9
84.93861	2.2
99.92568	71.5
99.93188	4.2
100.93341	23.9
115.92043	21.6
116.92831	100.0
129.52728	2.5
277.21744	4.0
331.60107	2.3
373.11331	2.6
377.14285	80.4
391.12006	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	377.1453
Annotation	Abafungin
Peak:m/z	Relative Intensity
50.00740	1.0
56.05520	1.0
59.01384	21.0
65.50316	1.1
67.30486	1.4
71.01366	8.2
72.20871	1.2
73.02940	2.2
85.02963	2.0
89.02426	12.8
90.52600	1.2
101.02423	9.4
113.02437	5.9
117.80982	1.1
119.03463	1.9
125.09709	21.8
145.39876	1.5
152.01205	1.4
153.09230	13.4
155.10837	1.7
167.10712	2.0
169.01663	1.1
169.08707	1.4
171.10266	33.2
197.08199	6.4
213.88573	1.4
215.09216	17.3
257.10315	1.5
290.84070	1.3
306.58249	1.4
317.19641	2.5
335.20682	1.5
377.14563	100.0
377.21619	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	377.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54333	1.8
54.66418	1.9
55.68539	1.8
82.72930	2.1
108.02169	16.7
110.73483	2.4
123.04501	13.7
152.01125	50.3
167.03476	100.0
181.05089	3.0
270.45627	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	377.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93652	1.1
59.01396	1.2
77.86339	1.1
92.19333	1.7
123.00864	5.0
129.17877	1.2
129.83559	1.1
131.71770	1.0
138.03209	13.4
153.05557	8.2
166.99869	8.8
167.46725	1.2
175.79234	1.1
182.02208	94.9
197.04549	100.0
331.71625	1.2
377.12460	6.7
377.20459	1.4
396.65033	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1396
Annotation	Pleionol
Peak:m/z	Relative Intensity
50.87954	0.6
51.32180	0.7
59.01371	0.9
66.84968	0.8
79.02007	0.7
86.28982	0.8
95.01363	1.3
103.40762	0.7
105.06211	0.7
106.88181	0.8
117.03446	5.3
161.02448	10.7
170.40845	0.8
173.06110	1.7
174.03232	0.9
174.06833	9.6
185.02470	1.3
187.04025	11.4
189.09215	52.9
215.11301	0.8
241.08669	4.7
242.09500	4.7
258.19403	0.8
277.21841	0.9
295.22882	1.7
317.12024	1.6
330.08923	13.8
345.11371	12.8
347.09369	6.1
359.28552	0.8
377.13956	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	377.1241
Annotation	Syringopicrogenin C
Peak:m/z	Relative Intensity
59.01367	9.1
67.76133	1.4
71.07784	1.4
79.10073	1.6
79.89642	1.6
80.45343	1.7
85.65740	1.5
89.02433	2.7
92.19995	1.8
121.80708	1.6
122.03703	11.8
134.03731	8.0
135.04498	6.6
136.01620	7.7
137.02454	1.7
150.03185	2.9
151.03979	3.1
152.04762	6.9
165.05550	2.1
166.02713	17.8
167.03468	3.6
178.02708	20.5
179.03500	24.9
180.04228	2.7
181.01315	2.6
193.05043	12.0
195.03012	3.6
196.03711	7.2
198.01627	8.2
209.04556	2.6
212.03319	1.9
228.02817	2.0
270.05261	3.4
285.07599	6.5
300.10013	6.9
317.19666	9.1
331.08157	3.3
335.20721	10.7
347.11383	2.3
359.11285	3.2
377.12393	100.0
377.17630	3.1
377.21887	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84279	0.9
56.03561	0.9
59.01381	12.5
59.45237	1.0
65.91803	1.0
66.31718	0.9
70.13608	0.9
71.01367	4.4
85.02940	2.3
89.02421	4.2
92.19945	1.1
101.02397	1.8
113.02397	1.4
125.09657	2.2
132.04523	6.2
133.05304	7.7
135.46413	1.1
138.05576	5.0
147.75972	1.3
153.09196	1.8
167.03482	2.4
171.10258	9.1
174.56235	1.1
186.09225	35.8
187.05115	1.6
187.08739	6.2
195.38162	1.0
197.08133	1.2
200.46342	1.1
201.10390	1.9
208.57724	1.0
215.09232	4.3
229.09802	100.0
229.92165	1.0
237.85878	1.2
243.11354	2.4
257.09372	4.6
271.10883	2.5
273.08810	41.1
301.08270	34.0
315.09802	4.1
377.09805	73.8
377.14468	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17844	8.8
58.78387	7.5
61.98832	100.0
75.28648	7.6
75.29633	6.8
159.67490	9.2
244.03961	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	377.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.1
59.24741	2.4
71.99822	2.5
76.25398	2.5
80.40543	3.2
82.89849	2.5
89.02428	15.8
96.95994	25.3
99.04520	3.5
113.02428	3.9
119.03444	3.6
126.71553	3.0
136.59222	2.9
179.05672	2.9
210.69223	2.9
221.24971	2.9
279.10651	3.0
341.10822	18.9
347.92050	2.9
377.08609	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	377.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	43.0
69.03474	1.7
71.01373	12.6
72.99297	16.4
73.02952	8.4
83.01398	2.2
85.02939	13.5
87.00883	3.4
89.02422	14.7
96.96005	1.5
101.02445	10.2
108.44218	1.8
110.06090	1.9
111.00890	2.5
111.08131	3.3
113.02457	6.9
121.06557	1.8
122.06139	3.2
125.09715	1.9
133.05342	2.4
135.04561	2.9
136.04059	2.0
138.05615	7.4
148.04048	26.9
148.05072	2.1
149.09729	6.4
153.09251	9.3
155.07214	7.3
159.96869	1.4
161.04628	1.8
166.05141	2.2
171.10216	1.8
174.67659	1.5
180.06645	21.0
180.07927	1.6
192.03123	7.4
196.09799	1.8
197.08296	6.0
198.09216	16.8
214.08878	2.9
215.62381	1.7
216.10147	1.5
217.10094	1.7
226.07628	2.9
237.07828	2.6
241.09834	91.5
243.11476	2.4
253.09816	28.1
259.11035	8.6
262.69748	1.6
271.11023	3.3
285.08807	42.2
315.09894	2.1
317.12515	1.7
317.19882	9.6
335.13382	2.4
335.17227	1.9
335.20810	5.7
359.08795	17.4
377.10056	100.0
377.14642	20.3
377.17993	9.5
377.22083	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	50.1
64.14282	2.7
82.29834	2.7
85.00925	3.2
91.39693	3.3
99.08144	80.8
101.59083	3.1
144.49634	3.0
150.04308	3.4
193.12334	35.6
244.92062	3.1
265.21686	4.1
293.21252	75.6
375.21552	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	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92502	6.6
53.43653	6.8
59.01377	35.4
63.12202	10.8
68.78767	8.7
71.06377	8.1
92.97186	8.1
109.16032	8.5
113.09724	25.7
151.34828	9.0
152.31667	10.0
188.83301	8.3
220.99295	8.2
231.95535	8.2
239.64490	7.4
249.22156	8.6
293.21207	83.5
315.19415	100.0
375.21622	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49600	1.9
59.01376	37.0
82.81336	2.2
99.07557	4.4
99.08145	71.3
103.13301	2.3
149.13228	2.9
173.78728	2.4
193.12238	29.4
206.37785	2.3
211.13382	2.3
293.17963	4.0
293.21225	100.0
375.21484	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75516	10.5
59.01373	69.0
59.51391	10.0
72.65729	11.6
77.36648	11.8
83.04031	11.9
91.28816	12.1
95.04984	17.1
110.28013	12.1
138.22075	11.7
139.49117	12.7
193.87204	12.2
224.54047	11.7
246.12337	20.6
278.11316	53.2
293.21347	100.0
315.19409	57.4
361.63245	13.4
375.21231	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	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50546	1.1
57.03468	0.9
59.01383	9.8
60.28937	0.9
62.69331	0.9
63.06403	0.9
69.03466	1.9
69.53027	1.0
71.01366	2.1
72.99305	1.6
73.02939	2.2
75.00857	7.6
83.05011	1.6
83.20424	1.0
83.61238	0.9
85.02966	4.2
85.06585	1.7
87.04507	2.4
89.02428	1.3
97.06598	2.5
101.06054	1.3
109.06599	6.5
111.04495	1.9
111.08162	1.9
115.07590	1.7
116.50784	1.1
125.06084	1.3
127.07613	4.5
129.05510	1.2
133.10223	1.1
137.09694	1.2
139.07622	9.0
151.57390	1.4
167.10779	2.2
173.08150	20.4
173.09381	1.4
203.09303	9.8
222.74500	1.1
241.10835	2.2
315.18149	13.7
333.19205	14.5
357.19019	1.2
375.16565	5.6
375.20297	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	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01371	2.1
69.03455	6.5
73.02939	5.9
83.05016	6.3
85.02946	1.7
85.06595	2.2
91.51514	1.0
92.62505	1.0
95.04999	9.5
97.06571	1.8
101.06023	1.1
104.06987	1.1
109.06574	9.5
111.08113	1.8
115.07598	1.8
121.06581	13.9
125.06042	1.6
127.07616	5.4
139.07629	7.5
167.10789	1.4
173.08174	33.6
203.09251	4.1
251.12929	5.3
287.14990	5.6
335.05286	1.0
357.19290	1.8
375.20264	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	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49521	3.4
58.41369	3.1
59.01378	100.0
60.05782	3.0
60.12152	3.8
60.46317	2.9
78.05494	3.6
92.19290	3.6
119.25032	3.5
139.94579	3.4
172.16611	3.8
173.78885	3.3
201.66667	3.1
220.41493	3.6
263.22830	3.8
375.15448	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	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75565	2.1
58.30229	2.6
59.01083	4.6
59.01377	100.0
63.48682	2.6
65.60646	2.6
66.76757	2.4
70.34480	2.5
120.08327	2.8
148.73946	3.3
174.99174	3.7
275.23743	3.1
288.04340	2.9
375.27222	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85641	2.3
60.27685	2.6
67.17709	2.5
68.10850	2.6
71.61811	2.6
73.20763	2.3
82.88623	2.8
87.16703	2.7
91.08825	3.0
97.29395	3.0
100.34452	2.6
118.79705	2.7
140.09291	2.8
159.08452	10.5
171.27046	2.7
171.92097	2.9
180.79492	3.1
224.73936	3.3
236.98724	2.9
291.09125	79.6
343.80826	3.2
344.50153	3.3
359.15329	100.0
375.18469	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	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26267	0.6
51.88597	0.7
55.39107	0.6
59.60767	0.8
78.33446	0.8
98.14778	0.8
102.40373	0.8
121.78185	0.8
147.68233	0.9
159.08466	10.6
161.06400	0.9
165.49478	0.9
196.32413	0.8
201.68661	1.0
209.93660	0.8
218.92743	0.8
277.07565	1.0
279.23239	7.6
289.10193	0.9
291.09106	96.1
359.15344	100.0
375.18494	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	375.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.9
76.17908	2.0
84.06237	1.8
87.54953	1.8
90.61944	1.8
119.98367	2.2
277.21735	100.0
375.19492	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	375.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
63.48839	0.4
65.15881	0.5
67.62132	0.5
87.88919	0.4
120.03069	0.5
125.98884	0.5
133.06630	0.6
143.57451	0.5
211.07628	3.0
220.07248	0.6
227.10777	100.0
301.14474	26.8
301.17133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69407	3.1
59.01376	47.7
59.79885	3.4
63.96228	49.3
79.95731	100.0
80.96513	4.8
95.89796	3.6
96.96000	3.6
127.39489	4.3
131.65338	3.8
134.26793	4.9
183.13887	19.0
190.96683	4.1
191.07492	6.1
217.00259	5.9
239.81387	4.0
277.21652	4.9
293.21152	4.1
295.22900	29.3
357.17377	4.4
375.18393	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45751	1.5
59.01378	73.3
71.01371	27.1
73.02939	39.2
83.01372	4.6
83.99592	1.9
85.02927	10.8
87.31763	2.1
89.02422	13.9
90.29226	1.8
95.01361	2.1
97.02902	1.8
101.02431	33.4
113.02414	12.8
119.03468	4.1
130.72449	2.3
141.77820	1.9
148.11044	1.8
153.09180	24.0
171.10216	7.5
178.13628	2.2
184.14149	2.5
240.21956	2.2
289.16580	3.0
315.14551	4.3
315.18005	6.1
333.15659	15.1
375.16528	100.0
375.20630	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	54.4
60.52975	2.0
65.64111	2.1
71.01371	20.9
72.99297	9.4
73.02929	2.9
75.00864	4.8
85.02937	5.3
87.04494	3.3
89.02428	21.3
101.02418	11.8
101.91761	2.7
113.02422	12.1
133.10220	12.4
137.90503	2.3
139.07672	2.7
177.09196	65.2
195.10280	5.5
197.11781	3.0
302.68185	2.6
315.18094	13.9
333.19250	9.9
357.19189	2.9
375.16504	100.0
375.20410	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03411	2.0
59.01092	2.8
59.01375	70.5
65.38970	1.4
71.01368	33.2
73.02935	19.8
83.01372	3.1
85.02937	18.1
87.04476	2.9
89.02422	31.9
94.45398	1.7
95.01363	1.7
101.02426	36.8
113.02414	17.1
119.03464	8.4
146.23141	1.6
148.07791	1.9
153.09183	1.9
162.05554	6.7
169.08664	2.1
169.12338	2.2
174.39700	1.6
177.00714	1.6
177.09206	1.8
194.89781	1.7
214.26920	1.6
242.17732	1.6
245.06552	2.3
315.14560	3.3
315.18066	16.4
333.15527	3.1
333.19061	13.7
357.15475	14.7
375.11917	3.7
375.16467	100.0
375.20422	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	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.0
55.06530	0.9
57.03431	1.0
59.01379	100.0
59.06332	1.1
62.64762	1.3
66.09341	0.9
67.74984	0.9
69.89506	1.1
71.01375	15.3
73.02934	6.6
83.01394	1.4
85.02944	5.7
87.00858	6.4
89.02431	6.7
101.02437	10.7
107.08648	9.5
113.02464	8.2
118.94708	1.1
119.03501	1.6
125.06033	2.1
128.85675	1.0
151.07639	18.3
155.44868	1.0
161.04556	2.0
195.06619	26.7
213.07613	1.8
264.45438	1.0
306.94421	1.0
315.14569	2.0
333.15396	5.8
375.12814	17.6
375.20395	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97149	2.0
57.77616	1.6
59.01373	76.8
59.94792	2.0
67.42257	2.1
68.74854	1.7
71.01374	33.5
73.02937	17.5
76.35176	1.9
81.18190	2.0
83.01374	3.3
83.05000	11.1
85.02934	9.6
85.06551	3.0
89.02444	24.8
99.04495	3.0
101.02426	35.4
113.02439	19.3
119.03485	8.0
121.25834	1.9
123.08147	1.9
125.09676	12.0
129.05534	27.0
139.87552	2.2
153.09204	57.1
155.04709	1.7
157.08737	2.9
161.04532	2.5
169.08701	20.3
171.10233	11.7
187.09712	9.5
315.14410	13.6
315.18073	24.9
333.15485	34.3
375.06790	3.8
375.16434	100.0
375.20352	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37252	0.6
52.94242	0.7
59.01387	1.5
84.04536	1.5
95.42844	0.7
106.04211	0.8
107.05014	18.2
128.03523	1.9
134.03717	4.5
135.04509	100.0
148.64708	0.7
161.02455	4.5
165.05540	27.1
176.04739	3.7
179.03455	6.6
191.07002	0.8
194.05847	14.1
209.08144	13.9
209.10818	3.8
227.11852	1.3
228.47461	0.7
231.45386	1.0
243.11458	1.9
271.10904	6.7
289.11987	4.3
312.14819	0.8
330.46542	0.8
331.12988	1.0
365.02408	0.8
375.20236	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52377	1.4
59.01374	10.8
60.63158	1.5
65.50738	1.1
68.99796	3.0
82.08361	1.5
100.02090	1.5
108.02141	7.2
109.03008	1.5
110.55325	1.3
113.28350	1.3
115.37786	1.5
117.76612	1.5
121.02924	6.9
122.03671	1.8
123.00909	2.2
123.04503	13.8
135.04543	3.3
149.02473	1.9
149.06058	3.2
150.03203	8.0
150.06786	1.7
153.05603	1.7
161.02351	3.1
162.03122	2.5
162.06868	2.4
163.03981	2.6
164.04778	6.7
165.05527	2.4
166.06334	8.5
177.05586	17.3
178.02699	23.8
179.03571	6.2
179.07129	6.6
181.08774	6.2
193.05042	25.9
198.71263	1.5
246.90202	1.5
271.09708	15.5
283.09744	9.2
285.11285	3.6
309.91895	1.5
313.59702	1.5
315.12201	2.2
345.13522	2.7
357.13574	1.9
375.14508	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	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
62.11520	1.2
71.01360	2.1
71.40805	1.1
71.67828	1.1
72.37315	1.2
78.99889	1.3
87.27891	1.2
97.78545	1.3
104.11611	1.4
138.03192	5.6
153.05556	79.9
161.04552	2.4
197.00882	1.6
315.10703	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	375.1296
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
52.06522	2.0
54.73766	1.8
57.23265	1.9
59.01375	21.3
71.01359	4.4
75.45087	1.8
85.02892	2.0
89.02441	2.1
93.89789	2.1
107.08649	39.7
151.07639	51.4
195.06625	100.0
259.11496	2.7
288.23303	2.1
303.40674	2.1
315.18161	17.6
333.19116	4.1
375.12842	21.8
375.20212	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	375.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84031	7.4
59.01371	21.5
60.57715	8.0
65.29670	9.9
73.02934	10.6
75.00866	13.9
75.94913	9.4
82.03019	8.4
84.04527	58.0
85.02950	18.1
106.04053	11.4
128.03520	52.7
141.09242	71.0
143.32246	9.7
175.31555	10.2
209.10866	74.7
223.50040	10.9
227.11980	19.5
243.11333	66.9
271.10901	91.4
281.18179	10.9
288.17456	14.8
289.12161	84.8
315.18140	15.7
318.91092	12.9
331.12900	62.4
333.19138	15.5
337.22372	82.8
375.20306	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	375.1086
Annotation	5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone
Peak:m/z	Relative Intensity
51.83733	2.9
52.15554	2.9
52.46854	3.7
59.01365	7.7
66.06075	3.2
83.18763	3.3
84.04543	15.8
121.02924	19.2
122.03734	14.1
128.03506	5.2
135.04466	6.9
138.03246	5.2
152.66574	3.5
158.85078	5.2
165.01883	27.9
165.05569	4.6
166.02687	18.1
167.03435	5.4
179.03452	3.3
180.04277	45.2
194.02106	12.8
198.01596	4.5
206.02126	5.8
208.03816	4.6
209.04581	23.2
209.10823	7.7
212.03226	24.3
221.04556	5.7
227.11774	5.5
239.03517	4.6
243.11452	5.7
256.03717	19.3
271.06125	48.2
271.10873	19.7
283.06039	18.1
286.08484	22.3
289.11856	16.1
311.05731	30.7
312.06461	4.7
315.05145	28.8
315.18045	6.1
327.05182	26.3
330.07471	27.3
331.08240	14.7
342.07480	5.3
345.09753	72.7
346.23532	4.0
355.81165	3.9
357.09854	45.6
375.06326	5.5
375.10831	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	374.9866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	54.8
59.01629	5.6
60.55696	4.9
74.70309	5.5
110.93135	5.4
111.62488	5.8
114.21275	5.4
142.44209	6.4
152.93684	7.4
153.91446	5.8
157.03523	9.6
201.02556	57.7
272.85431	100.0
290.86545	26.4
293.03162	6.2
293.10593	6.3
306.55582	5.9
314.86517	72.5
332.87640	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	375.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
77.23106	0.6
85.81638	0.7
90.11430	0.6
96.95974	0.9
100.34023	0.7
111.31624	0.6
123.99865	100.0
125.00647	48.1
151.03990	1.0
167.01697	1.4
194.97711	0.6
197.00945	1.0
198.24887	0.9
213.02234	4.4
287.05933	27.9
326.70706	1.1
375.07547	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0928
Annotation	capsazepine
Peak:m/z	Relative Intensity
55.99329	0.9
59.01373	4.5
65.30564	0.8
71.52541	0.8
73.02916	1.6
74.35181	0.9
85.71218	0.9
99.26385	1.0
100.70600	1.1
101.02422	2.1
101.95590	1.0
125.02423	1.9
137.99573	19.8
139.00348	18.7
153.01906	31.5
153.03078	1.6
154.02693	33.6
165.05553	1.6
169.05054	9.6
180.78708	1.0
181.98500	1.5
195.03058	1.8
197.00903	100.0
198.01665	1.6
199.02354	1.1
213.04105	1.2
278.39566	1.0
301.05673	17.5
316.07880	1.6
345.04709	7.5
360.07083	18.3
375.09296	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61706	3.8
56.16199	4.2
57.03428	4.9
59.42084	4.6
77.79772	5.2
84.94557	4.8
86.02457	21.8
91.10954	5.3
110.03281	4.7
120.50079	4.8
191.33478	5.0
287.16916	76.6
374.20126	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	374.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58421	4.5
53.02777	4.3
54.46489	5.5
58.46693	4.6
58.99611	6.0
59.01369	25.8
69.98380	5.9
79.62220	4.8
81.63124	5.6
87.00852	6.9
101.02439	8.4
102.98573	37.6
120.99630	9.8
128.03488	11.3
145.06200	7.3
146.04549	28.7
177.60544	6.4
179.07005	9.5
180.07516	7.0
244.07147	5.6
247.90114	6.4
329.74783	6.0
374.14502	13.4
374.22195	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	374.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52602	0.2
57.02803	0.2
57.71611	0.2
68.34478	0.2
68.72838	0.2
77.07444	0.2
78.82575	0.2
83.53132	0.2
94.41902	0.2
230.90282	0.3
232.10861	1.0
259.99258	0.2
289.17828	0.8
290.18808	1.5
374.24487	100.0
380.63956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
71.34853	76.6
81.39194	100.0
91.64543	89.4
107.15721	87.4
109.96484	94.5
301.86328	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35692	77.4
68.51199	92.4
77.96355	82.6
91.79128	83.8
98.97350	100.0
103.17896	92.1
341.53082	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38413	3.7
59.01370	42.6
59.30118	3.1
77.00146	4.1
79.65168	3.8
97.06577	72.3
105.18375	3.8
193.12335	9.3
211.13358	53.6
291.19672	66.8
321.43054	4.0
373.19958	100.0
381.69943	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	374.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18596	1.6
59.33372	1.5
65.48698	2.0
67.79807	2.0
70.02969	9.1
72.04523	2.2
74.02464	100.0
98.02470	20.2
98.03033	1.9
116.03526	45.6
116.05044	48.7
139.46088	2.0
145.68097	2.1
161.60777	1.8
192.00391	1.9
209.07191	1.9
224.36217	1.9
245.10817	12.6
255.09221	2.5
257.10840	16.0
281.68433	1.8
332.14136	10.0
357.80978	2.3
374.15100	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64560	1.8
59.01378	11.7
59.41383	1.9
64.98776	2.0
68.66248	2.1
73.64023	2.1
90.05261	2.2
121.62106	2.3
125.06006	2.2
151.34872	2.0
156.08662	2.3
165.12843	42.3
168.29387	2.4
180.82001	2.5
244.10771	5.2
247.20670	31.9
273.18689	10.7
291.19687	100.0
307.58237	2.3
313.17868	16.0
373.19952	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56610	8.4
53.62598	8.3
55.11961	9.1
74.94340	11.8
84.25676	10.3
87.10831	8.8
90.81580	11.0
90.88162	8.8
105.49242	10.2
165.12852	42.7
189.99719	9.9
247.20645	16.4
291.19751	100.0
373.20044	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87746	1.7
55.15719	1.9
57.03438	3.5
59.01379	15.2
59.92233	1.8
60.38771	1.9
63.91940	1.7
65.49992	1.9
70.31307	1.9
72.99293	2.5
73.02933	10.2
80.77322	2.1
85.02956	2.2
87.00834	2.5
94.02955	4.5
107.08647	2.0
109.06548	12.6
111.08128	7.8
116.63597	2.2
130.08698	3.0
139.07599	13.8
141.09180	2.1
173.08157	4.4
195.75368	2.1
203.09242	25.8
225.94292	2.4
228.32578	2.1
311.18597	10.0
313.16602	23.7
325.10733	2.4
329.19702	4.4
331.17569	13.0
373.13599	11.4
373.18585	100.0
373.21951	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	373.1869
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
58.71151	1.4
59.01378	100.0
60.08488	1.4
67.13956	1.7
71.01378	16.8
73.02935	20.1
74.62564	1.4
77.33153	1.6
83.01368	3.8
85.02941	6.8
87.00867	3.8
88.49150	1.5
89.02420	3.8
101.02413	19.8
102.22334	1.5
102.98565	1.9
113.02422	9.7
120.99616	1.9
150.03177	2.1
161.04532	2.1
213.09109	2.4
223.07648	8.7
225.06740	2.2
287.18448	2.3
373.09106	10.1
373.13458	2.8
373.18237	3.1
373.22314	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	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96708	0.7
59.01377	100.0
67.82216	0.8
71.01377	16.0
73.02938	8.0
78.21157	0.9
83.01366	3.2
85.02933	6.4
87.00865	5.0
89.02438	6.1
95.01385	1.0
101.02438	7.3
106.17374	0.9
113.02439	6.0
119.03483	1.7
121.40421	0.8
161.04507	2.1
225.04419	1.1
226.04604	3.9
241.06918	1.2
313.16489	1.4
331.17624	7.2
373.07602	1.4
373.14966	1.8
373.19022	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.84115	0.8
56.34652	0.8
59.01378	100.0
60.76989	0.8
67.16656	0.8
71.01376	12.2
73.02935	27.7
73.69337	0.9
77.81873	0.9
83.01392	1.2
84.61826	0.9
85.02950	2.3
85.45174	1.0
85.47001	1.1
87.00858	4.3
89.02431	5.4
97.02889	0.9
101.02433	17.3
113.02432	4.8
113.66207	1.0
119.03487	2.3
129.10266	1.0
161.04510	2.4
192.81377	1.1
211.03662	1.0
226.04672	1.3
269.04877	1.3
285.94012	1.0
299.09067	1.3
312.25516	1.0
373.12866	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	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.10349	1.0
71.01364	5.8
73.02938	2.3
74.86625	1.0
79.42447	0.9
84.36618	1.1
85.02940	4.2
89.02427	6.1
101.02422	7.0
113.02420	2.7
116.82678	1.0
134.35281	1.0
161.04573	2.3
177.65181	1.1
300.07016	1.2
327.65024	1.2
331.17618	5.5
366.47784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1502
Annotation	Deoxyloganin
Peak:m/z	Relative Intensity
55.73543	1.3
59.01376	100.0
68.70368	1.4
71.01376	23.9
73.02923	21.4
76.56223	1.2
83.01376	3.5
83.87318	1.3
85.02936	10.4
89.02430	19.6
95.01355	2.7
101.02425	27.9
102.98563	3.1
107.08640	2.5
113.02423	15.1
119.03484	6.4
124.78757	1.3
131.39734	1.3
161.04478	1.9
179.05492	1.4
287.14890	5.7
343.11029	3.6
373.15002	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95563	1.7
61.30420	1.5
68.76529	1.5
72.98152	1.7
108.02145	6.4
109.02882	2.0
123.00877	9.6
123.04540	2.0
124.01674	7.5
125.24458	1.8
136.01645	12.9
144.30209	1.7
147.04477	2.1
148.05267	9.4
150.03183	3.2
151.03989	2.7
160.05258	2.6
162.03189	7.2
162.06828	2.6
163.04008	23.5
177.05537	10.2
180.04222	3.0
188.04799	11.6
189.05522	2.1
192.04192	2.0
198.51866	1.8
204.04317	2.8
205.05081	3.9
221.04602	1.8
281.07898	1.8
296.10403	1.9
298.08502	27.2
310.08566	3.3
311.12650	2.9
313.07370	3.8
313.10806	43.0
329.13965	7.4
343.08228	2.7
343.11929	13.4
358.10547	10.2
373.12946	100.0
373.17853	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	373.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91695	2.9
57.15978	2.4
57.24145	2.8
59.53787	2.4
61.97159	2.7
65.86665	2.6
66.36774	2.7
70.35324	2.7
83.69215	2.7
119.31825	3.0
148.05295	58.7
150.03171	4.2
160.05334	29.1
161.06061	16.1
162.03212	18.8
162.06819	6.9
163.03992	13.3
177.05559	3.6
178.06326	13.4
180.04263	14.7
192.04257	5.3
204.04282	24.7
204.22739	3.0
205.05023	33.1
219.06570	13.5
220.79449	3.0
221.04565	4.9
222.05389	5.6
281.08167	14.7
284.10480	4.7
292.23306	3.5
296.10538	19.4
299.12796	14.8
304.12857	3.1
329.13956	41.9
373.12958	100.0
397.94928	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	373.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38416	4.9
54.08349	4.0
59.01372	25.2
67.47499	4.2
68.06873	4.6
103.22638	4.4
103.79066	4.8
199.46223	5.2
213.05602	9.1
220.07149	5.2
229.05231	6.2
284.06860	7.0
298.08398	6.9
299.09265	25.9
313.10812	34.9
331.21249	11.7
341.10468	7.8
358.10544	21.5
373.12967	100.0
373.22284	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	373.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63542	9.3
50.88162	9.2
59.01402	16.6
59.01845	9.3
68.84313	10.7
71.28605	11.1
75.77318	10.8
105.87632	11.6
121.02921	19.6
173.56508	12.5
228.56537	10.6
260.60953	10.5
267.06592	40.7
269.08231	68.1
270.16098	11.3
281.08060	43.8
283.09720	23.9
284.10556	14.2
295.09769	18.6
311.09177	18.0
323.31812	12.8
328.09637	12.4
329.14047	18.4
336.73770	12.2
340.09387	22.5
343.11911	100.0
355.11725	85.0
373.12958	25.2
373.18243	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	373.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84790	0.8
56.19050	0.9
56.52679	1.1
67.24439	0.9
67.62510	0.9
68.50327	1.0
73.26894	1.1
81.55336	1.1
92.03600	1.0
95.41689	1.2
97.29243	1.0
105.37850	1.0
133.70349	1.1
136.01561	1.1
137.02425	2.4
151.04002	6.3
155.58598	1.2
163.61375	1.0
164.24678	1.0
173.02318	1.1
211.04071	1.1
212.04773	4.6
213.05562	16.4
218.40822	1.1
225.05705	1.4
229.05069	4.0
241.05171	3.8
251.03252	1.3
255.10112	1.6
256.03772	9.8
257.04587	5.4
267.06659	2.4
269.04489	6.4
271.06195	2.2
283.06030	2.3
284.06934	8.5
285.07700	15.2
297.07669	3.7
298.08347	2.2
299.09213	26.7
311.05655	1.7
313.10773	14.4
315.08655	2.2
325.07193	5.9
326.07974	1.9
341.10306	7.4
343.08237	10.0
357.09686	1.4
358.10638	23.8
373.12912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
54.75999	0.8
59.01381	24.6
60.00335	1.0
70.14409	1.1
71.01368	9.0
81.05428	1.2
85.02943	1.8
89.02429	10.8
98.36731	1.1
101.02410	8.2
109.52685	1.2
113.02412	4.2
117.03431	2.0
119.03505	1.6
125.89479	1.1
134.03732	69.4
149.06071	23.1
165.05534	6.8
171.16907	1.1
178.02774	9.6
193.05055	63.9
211.06111	25.4
225.22781	1.1
331.83047	1.1
373.11414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89443	1.2
56.38188	1.3
58.99601	13.4
59.01372	12.6
65.14136	1.4
71.01368	1.5
71.62365	1.3
73.02917	1.6
73.08559	1.4
74.99042	2.0
75.00851	1.6
80.17363	1.4
82.06655	1.5
89.02422	1.5
101.02435	1.6
102.98578	100.0
120.99622	34.3
138.03194	3.2
149.02437	1.9
153.05536	5.7
163.00688	11.6
164.04768	11.3
165.58583	1.7
167.03419	1.9
179.07123	47.4
181.01453	2.2
243.06953	42.7
331.08521	8.0
373.04932	2.1
373.09503	8.3
373.18765	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	373.0928
Annotation	Arteanoflavone
Peak:m/z	Relative Intensity
56.75419	1.6
102.35085	2.0
112.51509	2.2
125.80332	2.0
241.05049	3.3
256.03601	2.3
285.04053	22.2
299.05649	8.0
313.03546	51.4
314.04541	2.6
315.05093	2.8
317.06625	2.1
325.03607	4.1
328.05893	8.3
343.00821	3.5
343.04581	97.0
343.08002	3.7
358.06848	25.1
373.09311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13354	3.1
58.99601	7.5
59.01377	14.6
74.99068	4.3
87.00866	8.3
102.98595	52.9
120.99622	20.9
144.40970	4.7
145.06078	5.4
161.02432	5.6
176.04828	5.5
177.05568	7.0
179.07138	8.0
194.05858	16.3
207.68816	3.3
209.08212	24.7
210.03557	21.3
225.05904	60.4
243.06953	100.0
252.53096	3.8
253.25989	3.3
313.07468	13.7
331.08557	23.0
373.09488	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	373.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61013	0.6
54.96120	0.6
56.50032	0.6
58.59636	0.7
62.70689	0.7
64.61855	0.8
71.01371	1.2
79.05540	0.8
81.03435	1.4
101.02441	1.0
105.03445	1.1
105.94025	0.8
113.47239	0.7
123.04505	100.0
149.02431	23.1
167.03484	13.0
173.65224	0.9
177.15053	0.7
181.44600	0.8
186.19820	0.8
191.03630	0.8
193.01482	1.2
329.08823	34.1
373.07690	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	373.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	34.0
71.01372	17.6
77.23363	1.3
77.89821	1.1
81.03408	1.7
85.02939	4.8
87.00876	1.7
89.02428	18.1
101.02431	9.7
107.05035	2.0
108.02153	7.9
109.02911	4.6
113.02419	6.0
119.03490	2.5
123.04487	19.3
134.03719	29.3
135.04495	1.3
137.02477	1.7
149.06084	10.1
151.00284	1.3
151.03970	1.4
152.01154	8.3
154.82571	1.1
165.07819	1.1
166.02696	19.9
167.03479	52.3
167.07150	4.7
178.02660	8.5
181.05025	2.0
183.33344	1.2
191.03505	1.5
193.01347	5.0
193.05022	39.0
209.04539	3.0
210.01682	48.3
211.02443	15.0
211.06076	7.7
234.21588	1.2
253.03378	1.4
331.09717	2.3
355.06790	7.6
373.07678	100.0
373.11609	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	372.2139
Annotation	Glu Ile Leu
Peak:m/z	Relative Intensity
59.01389	10.1
59.32505	1.2
62.77971	1.3
65.64538	1.3
82.02950	1.9
91.62626	1.4
100.04012	5.4
101.07200	2.4
127.05116	3.3
130.08727	84.4
136.11287	3.2
140.07170	8.4
145.06187	2.7
160.76019	1.3
169.13490	2.1
171.15068	1.8
179.11945	2.1
180.10295	45.9
183.59792	1.5
197.12956	13.5
199.18175	12.5
209.16537	3.2
223.10854	5.9
241.11897	2.6
243.17027	8.6
249.19403	1.6
284.23224	3.1
310.21359	3.2
347.25723	1.3
347.31165	1.9
354.20343	9.7
372.17316	5.4
372.21390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.1
59.32505	1.2
62.77971	1.3
65.64538	1.3
82.02950	1.9
91.62626	1.4
100.04012	5.4
101.07200	2.4
127.05116	3.3
130.08727	84.4
136.11287	3.2
140.07170	8.4
145.06187	2.7
160.76019	1.3
169.13490	2.1
171.15068	1.8
179.11945	2.1
180.10295	45.9
183.59792	1.5
197.12956	13.5
199.18175	12.5
209.16537	3.2
223.10854	5.9
241.11897	2.6
243.17027	8.6
249.19403	1.6
284.23224	3.1
310.21359	3.2
347.25723	1.3
347.31165	1.9
354.20343	9.7
372.17316	5.4
372.21390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
73.65675	0.7
83.94260	0.7
113.23094	0.7
120.01234	100.0
123.65288	0.8
140.08501	0.8
228.95030	0.7
237.09186	0.9
238.09502	1.8
300.09482	1.1
320.10812	0.8
372.18323	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74006	1.1
51.03721	1.1
58.27064	1.5
61.98827	100.0
66.15055	1.6
110.38618	1.7
140.34462	1.4
143.50977	1.4
175.54445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02949	8.7
59.01381	100.0
63.82312	7.0
64.30100	7.5
76.65463	6.8
83.01343	9.5
95.83589	7.1
100.04032	90.9
112.04047	9.9
173.66811	10.2
202.07159	9.6
293.66486	7.7
312.18393	10.3
330.19287	54.3
372.20157	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	371.2299
Annotation	Gln Leu Leu
Peak:m/z	Relative Intensity
52.80305	0.9
57.03439	4.9
58.02970	0.9
59.62590	0.9
63.36489	0.9
71.31470	0.8
82.04099	16.1
85.51951	1.0
87.04517	4.8
90.27435	1.0
100.77915	1.0
107.57482	1.0
115.07602	12.4
129.09215	5.1
129.10320	15.7
157.08652	3.9
171.12543	3.8
173.08208	1.4
175.09734	47.4
195.12453	4.0
197.16676	1.7
215.09917	1.1
230.90759	1.0
239.18805	1.1
268.49261	1.1
283.08200	1.1
327.24127	1.1
329.20840	6.5
371.10135	7.1
371.22989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08127	0.9
59.01163	0.6
59.01388	9.3
61.97665	0.8
62.56287	0.8
66.03433	0.8
71.01372	3.6
73.02941	3.6
83.01374	1.1
84.88883	0.9
85.02964	1.1
86.00094	3.9
86.34718	0.8
87.00871	21.0
92.19999	1.1
99.00838	0.9
101.02423	1.6
113.02417	1.0
115.02151	0.8
115.38154	1.0
120.04531	1.1
121.05288	1.2
122.06117	23.0
134.04756	3.1
134.06047	1.4
134.41901	0.9
136.07678	17.7
141.01909	1.3
145.03432	1.1
146.06111	1.6
149.04781	1.4
150.05594	100.0
152.07201	6.7
156.25830	0.8
158.06036	1.2
162.05573	4.6
164.07248	2.6
174.05623	3.8
175.06303	6.1
176.07153	11.0
192.06619	1.7
194.08249	3.4
204.06667	1.8
222.07700	1.5
312.10831	6.4
354.11954	42.3
372.13022	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2074
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.32498	1.4
51.51769	1.7
55.01880	2.0
57.03456	3.7
59.01377	53.3
71.01372	55.1
71.67551	1.8
73.02945	25.0
75.00850	2.7
77.10136	2.0
83.01385	15.2
85.02945	40.9
87.00867	3.2
89.02420	13.7
95.01361	8.3
99.00872	4.3
101.02427	53.1
111.00864	2.2
113.02428	27.9
159.02950	2.4
161.04541	28.5
168.19975	2.2
182.00789	1.8
209.15482	10.2
237.09180	2.8
295.08102	2.0
341.10196	2.2
371.16095	3.5
371.20776	100.0
374.77368	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	371.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.6
57.03449	4.5
59.01375	46.1
67.82426	0.8
71.01373	55.4
73.02937	28.2
83.01380	11.8
85.02939	35.8
87.00858	1.9
89.02428	13.5
95.01362	5.4
97.22937	0.8
99.00857	8.5
101.02425	52.4
102.18464	1.0
113.02426	28.6
119.03457	3.7
129.01843	1.1
133.34877	0.9
137.09714	1.1
143.03513	1.2
159.02936	4.4
161.04539	24.2
198.35722	1.1
209.15482	9.9
299.46506	0.9
371.20749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1711
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
51.91986	1.6
59.01085	3.5
59.01378	100.0
61.38853	2.0
69.09128	1.7
71.01378	41.6
72.99296	2.1
73.02931	4.7
74.53021	1.8
83.01376	4.0
85.02915	15.4
86.00102	4.5
87.00831	2.1
89.02434	44.8
92.19930	2.8
95.01364	2.6
101.02437	28.7
113.02435	13.4
119.03475	9.7
119.05012	2.5
147.11794	8.2
183.70807	2.0
234.64566	2.2
237.09149	13.2
267.02960	2.5
299.09140	3.0
318.30154	2.1
329.15994	4.0
331.91620	2.0
341.10239	4.4
371.17102	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16470	0.6
56.54634	0.7
56.59061	0.8
59.01368	2.0
61.98827	100.0
62.77264	0.8
62.77573	0.8
98.81886	0.8
108.69023	0.9
112.78011	0.9
130.08719	22.8
140.30676	1.0
167.87521	1.0
190.50656	0.9
204.36784	0.8
204.39072	0.9
263.60800	0.8
308.18655	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75117	0.5
59.01377	100.0
66.97440	0.5
101.02429	0.6
104.64269	0.5
131.46275	0.6
163.83246	0.6
188.29247	0.6
189.78122	0.6
207.39288	0.6
323.69193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36164	1.1
59.01357	7.0
72.81310	1.1
104.19792	1.1
132.02162	2.1
160.01631	15.6
191.01169	1.2
205.14867	1.2
242.09570	1.8
257.11938	1.2
269.11960	1.6
270.08899	2.8
278.74561	1.4
285.11295	19.5
295.09741	2.1
298.08502	9.6
309.07666	2.1
310.08545	2.3
311.09204	6.8
313.10840	9.0
316.33279	1.4
323.09167	2.2
324.09973	1.7
325.10818	16.6
326.07928	16.2
326.11450	4.1
340.12967	1.8
341.10275	100.0
356.12698	22.8
371.14948	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
67.89316	2.4
71.01377	36.9
73.02938	39.3
73.31313	2.9
78.39336	2.9
80.35812	2.9
83.01389	11.0
85.02933	25.1
88.38599	2.7
89.02427	22.9
89.20695	2.5
95.01384	3.1
101.02417	30.0
111.00892	4.8
113.02465	32.6
119.03498	2.8
119.05006	3.9
129.02019	3.2
130.80330	2.6
134.03722	23.6
135.69197	2.7
149.06061	28.4
167.07153	5.2
207.03987	3.5
213.07957	2.9
218.01234	2.9
219.60466	2.6
224.04932	4.8
225.05089	4.7
311.11301	26.5
329.12378	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	371.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21318	1.1
59.01376	11.2
60.35325	0.9
72.99295	7.0
81.84389	1.1
83.41486	1.0
86.26414	1.1
93.03445	6.7
108.82038	1.0
119.05015	24.6
126.55689	1.2
133.06613	4.5
161.06082	5.7
168.84607	1.0
221.09654	1.3
225.09129	1.5
235.07719	1.4
237.09206	100.0
249.09221	26.4
253.08667	14.0
263.07187	2.4
265.08722	4.9
267.10193	1.6
281.08215	26.7
284.20367	1.2
293.08212	19.9
298.03976	1.4
299.09265	47.4
299.12579	2.0
311.09271	20.4
329.10300	2.3
341.10306	22.9
353.10272	6.9
371.11423	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
75.06264	0.8
84.97370	0.8
92.20007	1.4
107.05015	20.4
135.44595	0.8
229.92278	1.0
265.64941	1.0
298.57269	0.8
299.09393	0.9
302.14264	0.8
341.10214	3.2
371.15149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77617	7.7
59.01376	10.5
147.04514	13.8
148.05263	36.1
176.04868	12.1
191.03513	54.9
191.07117	20.8
206.05818	20.8
225.24127	9.3
238.04816	11.7
267.06604	48.9
279.06476	17.5
282.08884	10.9
283.10062	10.5
323.05359	15.9
326.07956	15.1
338.08029	16.9
341.10254	51.6
353.10291	57.0
371.11203	100.0
371.15094	8.9
371.20926	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	371.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.9
74.17388	3.2
116.92850	3.5
143.34520	3.1
226.06168	4.1
237.05643	4.8
238.06364	4.8
253.08655	12.6
254.05777	3.5
265.05237	6.2
267.03015	11.9
269.08154	14.3
281.04535	3.5
282.05392	27.6
297.07721	70.4
312.10126	4.5
313.07135	3.8
326.04282	6.2
327.12338	11.4
339.08823	21.7
341.06650	44.9
356.08923	15.4
371.07715	4.8
371.11353	100.0
371.15799	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	371.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39631	1.0
59.01376	76.3
72.99307	5.8
85.02956	1.9
93.03444	5.6
107.05025	15.7
113.77113	1.3
119.05006	17.4
130.04095	1.2
133.06566	5.9
135.04491	1.4
160.58977	1.4
161.06096	5.6
237.09200	100.0
249.07196	1.3
249.09264	20.0
253.08707	10.3
255.10254	2.0
265.08649	4.8
281.08234	19.8
293.08185	14.9
299.09268	38.1
300.32642	1.4
311.09201	15.2
341.10208	16.3
353.10287	6.9
371.11603	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Randioside
Peak:m/z	Relative Intensity
51.60905	0.7
57.03432	1.6
59.01083	1.6
59.01377	40.7
67.01865	0.7
71.01374	19.1
73.02937	44.5
78.03452	0.9
83.01372	8.2
85.02940	11.7
86.03279	1.2
87.00829	2.8
88.04029	0.9
89.02415	4.7
91.01888	3.3
95.01390	1.2
95.61269	0.7
101.02422	25.6
102.98574	1.0
107.01367	1.6
108.02144	8.9
109.02947	1.6
111.00865	4.4
113.02428	12.0
122.03688	1.3
123.04507	42.3
125.02444	1.7
131.03453	1.4
143.03520	0.9
147.77936	0.8
150.03174	3.4
151.00345	5.3
151.04025	1.2
152.01115	10.9
165.05565	2.0
166.02686	10.3
167.03476	100.0
179.03502	1.6
181.05074	12.2
193.04971	1.0
194.02180	3.2
208.50465	0.8
209.04541	14.6
221.04523	3.2
223.04443	0.9
225.04976	1.6
239.05661	3.4
244.61159	0.8
251.05591	1.7
311.07733	9.9
361.56479	0.8
371.09796	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60905	0.7
57.03432	1.6
59.01083	1.6
59.01377	40.7
67.01865	0.7
71.01374	19.1
73.02937	44.5
78.03452	0.9
83.01372	8.2
85.02940	11.7
86.03279	1.2
87.00829	2.8
88.04029	0.9
89.02415	4.7
91.01888	3.3
95.01390	1.2
95.61269	0.7
101.02422	25.6
102.98574	1.0
107.01367	1.6
108.02144	8.9
109.02947	1.6
111.00865	4.4
113.02428	12.0
122.03688	1.3
123.04507	42.3
125.02444	1.7
131.03453	1.4
143.03520	0.9
147.77936	0.8
150.03174	3.4
151.00345	5.3
151.04025	1.2
152.01115	10.9
165.05565	2.0
166.02686	10.3
167.03476	100.0
179.03502	1.6
181.05074	12.2
193.04971	1.0
194.02180	3.2
208.50465	0.8
209.04541	14.6
221.04523	3.2
223.04443	0.9
225.04976	1.6
239.05661	3.4
244.61159	0.8
251.05591	1.7
311.07733	9.9
361.56479	0.8
371.09796	71.8
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	Deacetyl asperuloside
Peak:m/z	Relative Intensity
59.01361	1.5
60.37162	1.3
61.83981	1.3
67.11807	1.5
75.08226	1.4
85.02943	1.5
87.00870	14.0
92.19366	2.9
99.00847	3.1
101.02357	1.5
117.01937	2.6
125.02424	2.6
148.01627	32.6
150.03227	18.0
161.04485	17.1
165.05533	8.8
176.01131	21.0
177.01877	6.4
179.05611	24.6
191.03490	100.0
194.02150	6.8
209.04480	17.7
371.09787	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
51.46191	1.1
57.03443	4.4
59.01368	1.2
76.87922	1.2
81.24346	1.0
83.01340	1.3
85.02939	19.7
86.03285	4.8
87.03381	2.1
91.12035	1.0
100.04581	1.0
101.02424	1.1
111.00852	5.0
129.01903	6.1
131.02370	1.8
150.03218	31.9
153.01930	2.5
163.03999	1.3
165.05559	14.2
188.30426	1.2
194.02205	63.5
206.03802	2.1
207.04045	1.5
209.04547	100.0
223.04605	2.4
224.04805	2.3
225.05072	5.2
234.85982	1.2
371.09879	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	370.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24906	0.9
55.27201	0.7
57.03437	2.4
59.01367	10.4
63.97229	0.8
64.76211	0.9
80.95585	1.0
85.02917	1.5
102.05599	50.5
104.48397	1.1
105.68098	1.2
128.03523	59.9
137.09645	1.2
146.04581	100.0
195.88393	1.0
197.11810	5.1
201.72279	1.0
241.10857	1.2
333.20090	1.3
352.13947	1.2
370.15091	73.6
391.88446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0771
Annotation	Melisimplin
Peak:m/z	Relative Intensity
53.01429	0.8
55.33041	0.9
92.19341	1.9
102.39084	1.0
108.84230	1.1
111.00871	1.2
220.74741	0.9
241.05121	1.9
254.02191	1.6
257.04492	1.5
269.04517	4.8
285.04044	24.9
297.04001	1.9
312.06540	4.2
313.03574	24.1
327.08774	1.2
341.03024	100.0
344.05533	1.9
355.04465	4.4
356.05350	25.9
371.07697	78.6
371.24356	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	369.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.9
59.01385	6.5
60.42075	1.0
61.09964	0.8
68.95872	0.9
77.53844	0.8
78.35605	0.8
79.01685	0.9
84.50523	0.8
89.02414	1.2
91.04014	7.7
100.93420	1.2
116.92835	3.3
123.24734	1.1
140.54233	0.9
152.71239	0.9
177.42075	1.1
179.14394	1.3
195.13887	25.6
196.37424	0.9
271.74240	0.9
277.21686	25.4
295.22787	100.0
306.37442	0.9
369.13712	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	369.2645
Annotation	1-Naphthylacetylspermine
Peak:m/z	Relative Intensity
57.03443	2.1
59.01377	3.8
71.01366	9.7
83.05007	2.4
85.02930	2.0
91.52502	1.0
97.06553	1.2
99.08130	9.5
104.33589	1.0
115.07604	4.8
121.10198	5.3
129.09204	1.5
143.10742	2.3
145.08745	1.0
153.12837	5.5
155.20607	1.0
169.12355	1.6
177.12854	1.9
197.11842	38.4
219.13908	6.5
237.15022	1.9
241.10832	6.5
251.16544	9.1
263.01285	1.1
266.70651	1.3
269.17709	2.4
351.21777	8.0
369.18982	5.1
369.26459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92888	0.8
59.01374	5.4
59.80714	1.0
71.62952	1.0
89.02389	1.1
91.03983	7.0
113.09718	1.7
117.66931	0.9
123.58171	1.0
171.10260	1.9
177.12779	1.4
195.13908	26.4
216.18503	1.0
255.36142	1.0
277.18082	28.9
277.21689	28.9
282.64111	1.0
295.19196	17.2
295.22720	100.0
369.22708	15.7
369.26462	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77053	2.0
57.81266	1.9
59.01357	2.8
63.87132	1.6
69.67655	1.7
69.80364	2.0
71.01360	4.1
73.02922	1.7
83.01395	2.1
83.05019	3.2
85.02939	12.5
87.00863	2.2
93.59617	2.0
95.77332	1.6
97.06566	3.5
99.08140	3.7
111.00899	2.9
121.02921	7.4
121.10228	9.6
125.59927	1.8
151.66374	2.0
153.12839	3.0
165.12769	2.4
197.11810	32.3
203.13266	2.0
219.13805	2.5
223.04765	6.2
226.01204	1.8
251.16486	9.1
252.98152	2.3
273.97388	1.9
293.33444	2.0
347.06055	2.2
369.12021	9.4
369.26480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03404	8.3
52.76112	8.5
57.03436	14.3
58.03229	7.7
59.01375	100.0
59.54568	8.0
71.01425	11.0
85.02932	91.1
87.00858	15.3
97.06570	12.0
104.90977	10.6
105.05946	9.5
111.00889	22.2
121.02943	45.3
123.44877	9.4
129.01929	43.5
134.83926	10.7
173.35780	11.1
205.03523	23.7
217.31078	10.0
217.76064	11.4
218.00255	8.7
223.04530	59.2
287.22235	69.6
290.71301	9.7
369.11887	61.5
369.22449	23.4
369.26523	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	369.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32994	2.3
55.01859	4.2
57.03444	25.3
58.02962	19.7
59.01369	12.1
61.48908	2.3
61.92842	2.4
65.87589	2.2
71.01355	11.2
80.50759	2.7
80.59408	2.8
82.04091	23.6
83.01360	6.0
83.04992	3.7
85.02938	87.7
94.04110	3.7
97.04081	3.9
101.02419	15.9
101.95736	3.0
109.06586	2.8
111.00852	36.4
112.05179	4.2
112.07712	2.9
112.08739	3.8
119.05000	13.7
119.83622	2.5
126.06779	2.9
129.01933	27.2
129.10320	33.5
138.06718	27.7
141.10335	15.5
145.03030	3.2
146.06129	3.3
147.06419	6.2
154.09840	4.2
158.58331	2.9
163.04036	14.2
171.12523	11.4
173.08217	3.2
176.11880	24.6
186.52643	3.1
194.12949	23.1
194.24301	2.7
205.03503	25.7
223.04617	41.5
243.13515	48.4
285.15549	6.5
327.19138	17.5
327.96667	2.6
369.08047	4.7
369.12030	15.1
369.16306	3.6
369.21451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.4
58.02968	8.4
81.07077	2.0
82.04089	6.8
85.02936	27.1
85.21172	1.4
94.04085	7.0
98.33621	1.3
100.41959	1.4
100.70537	1.6
105.77931	1.5
107.04995	1.7
109.06552	2.5
111.00858	5.4
112.05148	2.6
112.07603	1.4
112.08765	1.6
119.05022	2.9
129.01942	5.4
129.10333	37.7
154.09850	2.8
163.03978	1.8
171.12491	9.3
173.08145	12.3
175.86340	1.5
176.11861	5.3
192.11418	1.7
194.13019	5.4
205.03520	3.4
223.04526	6.7
309.11987	1.5
327.19263	16.4
369.08264	2.4
369.21414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2142
Annotation	Ala-Leu-Ala-Pro
Peak:m/z	Relative Intensity
57.03442	1.9
58.02965	6.2
59.01370	2.1
65.42079	1.3
67.95898	1.4
69.72900	1.1
71.01344	1.2
73.02937	12.7
82.04101	26.6
85.02930	2.0
88.50632	1.3
111.08146	11.4
117.25362	1.3
119.05105	1.3
129.10330	19.1
140.08238	1.5
154.09840	2.4
155.07121	7.2
163.40753	1.1
171.12509	8.7
173.08211	16.0
194.12941	2.6
195.12520	8.1
212.14014	1.7
213.59933	1.6
223.78870	1.2
251.18808	5.4
325.22495	2.0
327.19394	2.1
351.20432	2.4
369.21414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1189
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
56.03378	0.6
58.44313	0.7
73.97267	0.7
87.00861	15.8
97.06572	17.3
107.05032	6.9
111.04494	3.3
112.05286	6.0
115.56409	0.8
121.02930	53.0
122.03722	12.4
123.04520	3.9
135.04546	0.9
147.04506	24.4
148.05295	7.0
149.02481	0.9
149.06120	1.0
163.03989	14.0
164.04747	7.0
165.05519	3.1
191.03520	8.2
192.04318	8.5
193.05042	4.2
201.09215	3.5
211.10715	0.8
219.10196	3.1
221.81825	0.9
307.74814	1.1
309.09875	7.1
326.09674	1.0
351.10828	5.1
369.11880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	5.8
71.58466	5.8
85.02930	42.8
103.29784	5.6
107.08670	5.4
111.00880	11.0
129.01888	8.2
160.01720	6.7
166.60899	6.3
195.10381	6.1
205.03423	7.1
283.09610	13.8
308.06989	10.4
309.07733	8.4
323.09299	26.1
324.06519	13.5
324.10245	6.6
337.10349	6.0
339.08710	94.6
354.11002	29.3
369.13464	100.0
369.22906	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	369.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	12.6
59.01379	17.2
62.65046	6.3
71.50001	7.3
73.49710	7.1
85.02930	82.9
87.00870	13.5
97.06567	14.0
100.32639	7.1
111.00838	10.5
121.02926	48.9
129.01944	13.4
131.24338	9.1
132.95590	10.1
147.04533	17.2
161.97629	8.0
163.03995	31.7
163.98155	7.1
167.37061	7.0
205.03569	16.9
223.04596	36.1
253.87489	7.8
327.21710	33.0
339.08789	10.1
369.11926	100.0
369.22668	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	369.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.2
59.01378	5.8
71.01371	5.7
73.02930	1.9
76.63868	1.2
83.01371	6.5
85.02941	51.2
101.02444	9.8
111.00856	16.7
113.02464	1.5
119.04982	4.6
121.06575	72.7
121.07458	2.5
129.01909	15.9
147.04518	11.3
161.04529	1.8
163.04013	2.3
165.05540	100.0
187.02461	1.7
205.03545	16.1
223.04591	35.0
309.09882	22.0
327.10785	8.5
360.77209	1.3
369.12024	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	369.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29884	1.0
50.74529	1.1
50.89810	1.0
51.40540	1.0
57.03439	8.9
66.76742	1.2
71.01362	1.5
73.02921	1.8
73.50732	1.5
76.30566	1.5
85.02939	47.6
99.04894	1.5
101.02441	1.4
106.04176	2.3
111.00861	14.7
119.04975	2.6
121.06575	100.0
122.38380	1.3
129.01941	13.5
147.04457	10.9
163.03888	2.9
165.05554	91.9
193.01436	1.4
205.03484	9.9
223.04596	18.0
262.97198	1.6
287.45142	1.4
369.07907	2.3
369.11920	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28030	1.0
55.01887	1.2
57.03450	23.8
67.01873	1.2
69.66624	1.0
71.01373	4.9
73.02934	1.5
79.63951	1.4
83.01372	7.6
85.02940	100.0
96.47317	1.2
99.17722	1.2
101.02419	6.9
110.33614	1.3
111.00858	24.0
119.05030	11.7
127.18277	1.3
129.01921	26.7
161.04521	1.9
163.04025	11.8
205.03531	21.0
223.04634	25.3
249.44933	1.3
345.88583	1.2
369.08228	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.19371	1.1
57.03447	19.8
59.01373	2.1
67.47396	1.2
68.88434	1.1
71.01373	5.0
83.01371	5.6
84.02135	1.5
85.02937	100.0
91.45785	1.0
92.09298	1.1
93.81840	1.1
101.02409	5.6
104.06248	1.2
111.00862	34.8
119.04987	9.0
129.01923	29.8
144.75191	1.2
145.02896	1.5
161.04535	1.5
163.03963	8.8
164.39861	1.3
187.02509	1.8
205.03526	29.0
212.60617	1.2
223.02396	1.7
223.04579	51.5
223.06677	2.6
246.09845	1.3
305.32538	1.3
369.08273	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	369.1189
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
56.28138	0.8
56.86628	0.7
63.57661	0.8
78.51278	0.8
87.00862	20.2
89.67608	0.9
92.19392	1.3
97.06559	17.5
107.05009	7.0
111.04475	1.4
112.05273	8.1
121.02931	62.8
122.03710	11.9
123.04473	3.6
130.99800	1.0
132.00612	1.0
137.02396	1.3
138.01259	0.9
147.04518	26.2
148.05293	8.8
149.06055	1.2
163.03979	13.4
164.04779	7.8
165.05539	3.8
175.87994	0.9
191.03520	7.1
192.04288	9.5
193.05037	4.6
201.09175	6.2
219.10161	1.6
291.08725	2.3
309.09708	8.3
351.10806	4.1
369.11884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83800	1.3
55.01860	2.3
55.46903	1.4
55.57586	1.3
57.03449	21.8
59.01379	1.6
61.63329	1.2
71.01360	3.3
73.02900	1.4
83.01380	8.4
85.02939	100.0
90.88718	1.3
92.19366	1.7
101.02419	8.2
104.78748	1.5
111.00854	29.4
119.04995	9.6
129.01921	35.6
129.76460	1.4
132.35895	1.4
163.03983	10.7
187.02451	1.5
205.03525	23.5
220.79146	1.5
223.04617	37.0
369.08325	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48973	1.2
55.01878	2.2
57.03447	15.7
59.01370	3.3
59.05322	1.3
71.01376	3.0
73.02973	1.9
77.18701	1.6
83.01378	6.3
85.02938	100.0
85.51476	1.5
87.00865	2.2
101.02419	9.3
111.00860	43.2
119.04987	8.2
129.01921	31.5
137.58321	1.4
145.06155	2.5
147.03000	1.7
161.04501	3.7
163.04019	3.1
165.05515	2.5
187.02463	5.8
205.03526	35.0
218.08089	1.5
223.04585	75.1
247.42065	1.5
278.98077	1.7
286.98010	1.5
331.37726	1.5
369.08066	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03443	14.4
59.39563	1.1
68.81831	1.4
71.01376	2.8
72.99293	1.8
83.01382	7.1
85.02934	100.0
96.20576	1.4
97.26389	1.4
101.02426	9.1
111.00855	42.0
111.75533	1.4
119.05014	6.6
129.01920	27.6
147.03021	2.7
163.03973	2.8
182.90643	1.6
183.14803	1.5
205.03520	34.7
223.02365	2.9
223.04579	85.6
369.08252	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	367.2488
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.14061	0.8
57.03433	0.9
57.19971	0.9
59.01373	1.1
68.58649	0.8
86.10971	0.9
93.47849	1.0
96.47771	0.9
106.82543	0.8
113.09698	22.9
139.11302	1.3
167.10739	4.6
179.10774	1.9
185.70708	1.0
195.13872	2.2
197.11818	1.2
197.37024	1.1
229.13310	1.0
249.22197	3.6
262.36710	0.9
278.87695	1.1
293.21255	100.0
367.24979	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	369.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
55.05867	1.7
56.18729	1.9
57.03448	23.1
63.07446	2.2
66.59160	1.9
71.01368	3.7
73.02924	3.6
75.00855	2.4
81.33558	1.8
83.01373	5.1
85.02936	100.0
93.03432	2.8
98.67581	2.1
101.02417	7.7
111.00849	32.6
119.04984	13.7
129.01913	31.4
136.45593	2.0
161.04681	2.9
163.03984	10.9
205.03519	22.9
223.04588	37.4
264.33392	2.2
369.08563	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	367.2488
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.82021	1.9
55.11030	2.1
64.88919	2.2
77.23251	2.3
90.30758	2.1
94.90916	2.4
99.08145	100.0
103.61513	2.5
123.48906	2.5
207.13910	10.9
219.79913	2.3
235.13351	4.2
236.12204	2.4
367.24847	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.7
59.01378	5.2
60.46286	1.8
66.31155	1.9
111.48841	2.4
113.09718	18.0
116.46571	2.2
145.08661	14.1
167.10815	4.2
177.12859	4.1
194.38722	2.0
195.13896	29.6
239.12924	11.0
275.05914	2.7
293.21234	100.0
331.86777	2.5
367.20560	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	367.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45099	1.5
68.00752	1.5
75.00856	2.4
87.00854	44.3
99.33580	1.7
104.79662	1.8
105.01922	100.0
111.89355	1.7
141.14700	1.9
150.02261	1.5
150.42380	1.6
171.14986	1.9
254.66661	1.7
279.23264	94.0
331.88232	1.7
367.24835	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	367.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34667	3.8
59.01377	30.3
83.00473	4.5
84.02159	7.2
95.25726	4.1
99.08157	10.3
101.95634	5.2
104.87498	5.1
106.09417	5.2
119.17458	4.8
169.12267	8.7
185.11859	77.1
197.11928	4.9
199.13359	10.2
207.10030	20.9
215.12805	6.8
221.11595	34.0
242.56635	5.1
249.18607	18.9
260.76974	5.2
267.19547	7.7
285.20731	100.0
299.24857	5.8
307.18790	11.7
346.39957	4.6
347.10352	4.8
367.20914	72.3
367.24969	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64162	2.5
58.02973	33.1
59.01361	3.2
63.47490	2.4
70.93404	3.6
82.70209	2.7
99.04512	29.7
110.07191	4.0
111.82634	2.5
112.07632	4.4
118.22070	2.3
120.34396	2.5
127.07610	6.5
127.08714	4.9
129.10324	37.6
136.36395	2.6
141.10320	19.1
155.11945	3.7
197.97534	2.7
206.34691	3.2
210.28134	2.8
219.10571	2.7
237.19708	7.0
239.17749	4.4
263.17493	4.2
267.14642	12.4
281.18677	69.9
323.20834	50.9
325.17618	49.4
367.14697	6.0
367.19839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81433	0.7
59.01379	100.0
61.67091	0.7
62.58812	0.7
63.14102	0.7
64.38371	0.7
65.87419	0.8
78.37829	0.8
95.52706	0.9
135.04485	4.6
161.02498	1.3
162.51247	0.8
205.11972	6.2
216.83188	0.9
249.12553	1.2
307.13730	1.2
331.09256	1.2
367.10822	1.7
367.15161	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	367.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18841	0.7
59.01375	100.0
61.57401	0.9
71.01388	2.2
74.01690	0.8
78.06686	0.8
80.01115	0.8
85.02990	1.1
87.00835	2.0
89.02434	1.1
96.96010	1.4
99.02670	0.9
101.02402	1.7
107.33708	0.9
109.03014	0.9
111.00848	1.6
120.68550	0.8
163.03984	5.1
164.04758	5.7
166.06383	1.5
173.06067	5.2
175.05106	1.0
177.05580	1.1
217.08611	2.2
220.07361	1.8
238.08452	1.4
243.05817	0.9
255.05107	1.8
270.79712	0.9
295.29913	1.0
307.13943	5.0
323.11377	3.9
331.09872	0.9
349.10001	1.3
367.10419	15.3
367.15140	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	367.1394
Annotation	Drosopterin
Peak:m/z	Relative Intensity
57.03440	2.0
59.01369	1.1
69.03450	9.5
71.01357	1.1
72.99297	13.6
73.02940	2.4
75.73054	0.9
85.02911	2.3
87.04531	1.6
93.03452	1.1
97.02933	14.8
113.02431	88.6
125.02428	100.0
137.02396	2.0
141.01884	1.3
143.03441	2.0
166.81566	1.2
174.03239	1.5
175.03969	2.6
179.10692	1.9
191.08493	1.2
196.42082	1.1
215.14352	2.1
232.11023	5.5
243.13963	1.8
261.14969	4.8
287.12909	2.1
305.13953	2.0
330.94687	1.3
349.12851	5.6
367.13959	76.8
367.21445	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	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98918	0.4
59.01374	11.4
60.91041	0.5
63.56309	0.4
70.51405	0.4
71.01370	10.0
71.05029	0.6
73.02940	1.0
85.02921	5.5
87.00872	4.6
89.02450	4.7
95.01357	2.9
96.64085	0.5
99.00879	0.6
101.02427	2.3
111.00887	0.6
113.02419	8.4
119.05004	100.0
121.02916	1.0
123.04498	0.8
130.65663	0.5
136.05287	0.9
138.06839	1.0
145.02946	6.7
146.03749	1.1
149.06039	1.2
151.07581	0.8
152.08420	5.1
153.09201	9.7
163.03993	68.3
163.11273	0.7
164.04788	3.1
165.03870	0.6
165.05544	2.1
175.07773	0.6
187.07590	0.7
188.04784	1.8
191.10774	0.7
193.05064	0.8
199.07707	1.2
205.12331	8.3
215.10803	2.0
215.18291	0.5
217.08711	3.4
225.09146	0.7
232.07388	0.6
233.08264	0.6
234.05383	0.6
235.07671	0.8
243.10281	8.2
249.07678	0.7
261.11349	1.0
279.08752	0.9
307.08212	8.9
307.17657	0.7
325.09314	0.7
339.17062	0.6
349.09232	6.0
367.10324	15.9
367.17389	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.3
59.18963	0.4
71.01373	0.6
73.02931	2.9
75.30371	0.5
79.07976	0.5
80.74412	0.5
101.02402	1.0
105.33849	0.5
119.05003	100.0
163.03999	35.6
163.05174	0.7
211.97028	0.6
215.72620	0.6
367.10312	5.7
373.17441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43940	0.5
55.28675	0.5
59.01375	14.8
61.47911	0.6
71.01373	8.5
73.02927	4.9
83.01374	1.0
85.02949	6.3
89.02438	1.2
95.01359	1.4
97.84849	0.6
101.02412	6.5
113.02431	7.6
119.05004	100.0
132.71268	0.6
136.92307	0.6
146.65866	0.6
147.21642	0.6
149.06068	0.9
161.04524	0.7
163.03998	30.8
166.85167	0.6
207.90671	0.6
307.08151	3.5
313.49591	0.7
367.10275	10.7
379.34814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54705	0.7
54.27636	0.7
101.10448	0.7
119.05006	100.0
126.20772	0.8
137.83797	0.8
147.55363	1.0
163.03996	58.9
200.29680	0.9
225.85104	0.7
251.73207	0.8
274.28372	0.8
367.10220	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	366.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.9
66.94785	2.3
72.08965	2.5
84.04546	5.9
88.34152	2.4
88.89388	2.4
133.06502	4.2
135.81793	2.7
162.21901	2.8
166.06314	3.0
177.05710	3.1
177.22150	2.5
180.77246	2.8
191.03471	3.8
192.07961	5.5
205.08710	12.1
206.05806	4.4
212.33716	2.6
220.11002	4.8
236.09314	5.9
237.07719	32.7
246.07765	3.6
248.09242	12.6
252.68034	2.9
260.09274	2.7
274.07275	3.7
276.12546	20.7
278.13986	3.4
292.08209	10.8
304.12091	3.5
322.12799	26.5
348.10770	25.3
350.99905	2.5
366.11960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58464	0.4
53.90667	0.4
55.99197	0.4
59.01375	2.5
59.53079	0.4
71.01357	0.9
73.02941	3.6
73.98531	0.4
78.21786	0.5
83.87008	0.5
101.02420	1.9
110.47734	0.6
119.05008	100.0
123.04491	0.8
145.28896	0.5
149.06079	2.2
157.97136	0.5
158.43088	0.5
163.04002	27.9
193.05112	1.1
276.01846	0.5
283.95190	0.5
367.10315	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	366.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68045	0.3
63.98416	0.3
65.13871	0.3
66.61620	0.3
67.66197	0.3
74.58630	0.3
112.13519	0.3
116.05068	0.4
160.04024	100.0
176.05122	0.3
204.03032	2.6
339.35635	0.3
366.08279	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1829
Annotation	SKF-96365
Peak:m/z	Relative Intensity
57.03447	8.0
58.02971	9.2
58.98849	0.9
59.01374	14.7
67.58475	0.9
69.03436	5.8
71.01373	38.4
73.02931	2.0
82.03653	1.6
82.04100	27.3
92.77722	1.0
92.87346	1.1
97.02931	48.5
99.04522	8.9
101.02407	1.9
102.98524	1.1
106.21233	1.0
109.37901	1.0
112.07638	1.7
113.02463	1.2
121.02944	1.0
122.09724	3.8
125.06075	61.7
125.07054	3.1
127.08727	4.9
129.10336	22.5
131.35155	1.0
134.03767	1.0
149.06090	1.8
151.03986	2.1
154.09912	3.6
155.11842	8.8
157.63492	1.1
164.11923	1.4
169.05032	5.4
171.12527	10.7
193.17079	1.4
195.12427	6.0
213.12317	1.2
226.93758	1.1
234.57404	1.1
235.18192	1.7
255.14583	1.2
272.21484	1.0
272.24451	1.0
277.20435	1.3
279.17081	16.8
321.19333	79.0
322.89993	1.0
365.14474	7.8
365.18295	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	365.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72480	1.3
57.03444	3.0
58.02974	3.1
59.01376	100.0
69.03428	1.5
69.52568	1.4
71.01382	28.8
72.99288	1.9
73.02936	3.3
77.63330	1.8
79.39974	1.5
82.04092	11.8
83.01348	1.9
85.02939	21.5
87.00855	6.1
89.02438	6.3
97.02932	33.2
101.02420	7.7
101.63666	1.4
109.07578	1.5
111.00854	9.6
113.02448	2.9
113.17624	1.8
115.76218	1.4
119.03491	2.1
125.06056	34.1
129.01884	2.0
129.05560	9.2
129.10304	9.8
143.72635	1.5
149.06075	3.3
155.11856	2.9
161.04520	2.2
171.12451	2.0
172.05257	1.9
173.06105	2.5
173.22972	1.5
185.08188	2.0
187.07652	8.7
189.05527	6.3
190.02638	2.4
191.04617	2.7
201.05437	1.7
201.09224	3.6
202.06357	2.7
205.06180	3.4
213.09131	2.1
226.06427	2.4
231.07874	1.9
231.10229	2.8
235.11931	2.4
241.08702	12.4
259.10574	3.6
263.11243	5.9
273.08798	2.4
277.08289	3.3
278.89438	1.6
279.17053	10.1
289.80746	1.5
303.09064	2.5
305.12354	9.8
305.15771	2.4
321.19305	51.4
323.16934	2.1
347.08051	9.3
365.09042	22.3
365.14172	9.8
365.18280	54.8
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
59.01376	100.0
71.01399	0.9
73.02933	0.8
85.02922	1.3
85.64755	0.9
92.19290	1.1
120.99610	3.9
128.05084	1.8
129.05405	3.1
152.97031	0.9
158.06126	7.9
159.06445	6.3
235.09871	0.9
268.71735	0.9
317.97678	0.9
365.11676	1.0
365.19336	4.6
388.24579	0.8
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
52.15252	0.5
56.18282	0.5
56.43520	0.6
57.95065	0.6
59.01377	100.0
70.50060	0.6
71.01411	0.5
71.99349	0.5
72.27974	0.5
79.89446	0.5
104.99522	0.5
113.02409	0.6
143.05013	5.6
249.11209	0.6
249.94682	0.6
303.04456	0.6
341.86530	0.7
365.19562	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92076	0.8
58.60226	1.1
59.01376	100.0
62.28089	0.9
66.02971	0.8
71.01376	1.1
72.88802	0.9
84.97446	0.9
115.54300	0.9
123.13142	1.2
182.08200	1.0
214.93448	1.1
247.39929	0.8
365.20001	1.6
373.48965	1.0
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
54.50436	0.9
59.01379	100.0
64.44357	0.9
64.89536	1.0
83.18758	1.1
119.36350	1.4
153.71939	1.1
177.98412	1.2
204.83302	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.78820	1.1
64.00387	1.1
64.43994	0.9
66.98175	0.9
71.01379	10.3
73.02948	1.3
85.02943	5.6
87.00853	1.2
89.02435	6.6
101.02454	10.4
102.98565	2.0
111.00839	2.2
113.02431	1.6
115.73703	1.1
119.03462	1.2
122.19550	1.0
126.35025	1.1
145.74905	1.0
151.57083	1.1
157.08676	2.3
161.02434	1.3
161.04553	1.5
173.10011	1.5
175.07965	5.0
179.05623	1.7
189.05743	1.0
189.09477	1.3
191.07486	1.8
235.10059	4.6
292.71167	1.1
305.16147	9.0
365.12903	7.8
365.17969	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10630	1.0
59.01375	100.0
70.94731	0.9
71.01379	8.6
73.02934	1.7
78.60643	1.1
85.02935	5.1
92.19354	1.2
101.02419	5.3
109.02927	1.3
113.02428	2.9
125.80357	1.1
126.13605	1.1
128.39490	1.1
157.08595	1.3
161.04529	2.8
162.04353	1.2
173.09868	1.4
175.07951	5.0
305.16104	20.0
365.12866	6.9
365.18018	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80441	1.0
56.00520	1.0
59.01377	100.0
87.34911	1.0
92.19310	1.5
142.49426	1.1
153.30095	1.1
193.12538	1.2
305.72348	1.2
308.69455	1.2
312.82724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82824	2.5
55.74286	2.7
57.03435	5.8
58.99859	2.8
59.01374	95.4
63.21876	2.4
70.24194	2.8
71.01368	21.2
73.02942	7.3
83.01356	3.8
85.02931	79.9
87.00856	25.7
89.02441	7.0
90.44276	2.8
95.12319	2.9
101.02436	26.9
104.66542	2.7
111.00870	36.0
113.02429	13.8
119.03450	4.6
129.01933	12.0
134.24805	2.6
141.09235	37.3
157.08676	13.8
159.10312	3.7
187.09819	4.3
199.09671	5.1
203.09195	51.5
235.11859	19.7
245.10393	4.3
272.70493	2.8
276.90378	2.8
305.15933	12.5
323.17117	11.4
365.14444	100.0
365.18808	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98022	1.8
57.03442	11.0
59.01377	100.0
59.20739	1.1
67.79892	1.2
68.67442	1.1
71.01365	16.0
73.02924	5.3
83.01360	1.7
85.02934	77.9
87.00857	23.7
89.02438	12.4
97.02953	1.4
101.02420	22.6
102.98568	2.4
108.05553	1.2
111.00123	2.2
111.00860	38.2
113.02419	9.7
118.98061	4.6
120.48740	1.2
125.02396	1.4
129.01949	8.3
136.78769	1.1
153.09235	1.5
157.08710	5.1
161.04539	7.1
173.09953	2.1
175.07942	4.9
177.68555	1.2
179.00208	1.3
179.05598	2.1
187.07973	5.7
191.07367	2.3
235.11916	15.2
263.68039	1.4
305.10770	1.6
305.15964	8.0
323.11569	2.5
323.17047	2.7
365.08737	2.6
365.13211	13.2
365.18277	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40054	1.0
54.03684	1.1
59.01379	100.0
71.01358	9.5
72.99307	10.7
73.02930	2.2
76.25503	1.3
85.02939	6.3
87.00848	1.3
89.02429	5.0
91.04148	1.2
101.02439	7.7
104.37944	1.1
113.02418	6.3
138.05588	5.8
161.04514	1.9
164.03558	8.3
175.04063	1.2
187.07687	1.8
191.02972	2.0
191.04626	41.6
192.77881	1.2
201.09389	1.5
205.06113	1.4
216.10236	11.1
219.07706	1.3
223.66531	1.3
230.06108	1.4
230.08244	9.1
231.07727	10.5
233.09294	11.3
241.08672	4.9
244.05046	1.4
258.06421	7.6
259.07117	5.5
259.10818	32.3
263.11334	7.1
273.08832	21.0
275.10339	1.6
285.08710	7.4
303.09882	12.8
305.12466	9.4
305.15656	1.9
323.17154	1.8
347.08820	37.1
365.09726	43.9
365.14343	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	365.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.0
59.01374	100.0
70.46708	0.7
71.01381	0.8
73.02912	1.4
99.04473	1.0
101.02402	1.4
102.98569	0.9
220.14523	0.8
228.31065	0.8
305.12183	1.5
365.14297	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	365.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	35.0
71.01374	6.0
71.03414	1.1
73.02931	6.3
107.41011	1.3
122.94064	1.3
133.71109	1.2
142.63142	1.4
145.07700	4.9
160.06381	15.3
160.37296	1.5
161.07173	43.6
175.08760	34.3
185.10815	2.8
187.08687	9.0
189.06691	72.5
189.10596	1.6
201.10373	14.7
203.08272	31.7
203.11850	10.6
217.09897	1.7
229.09799	34.0
235.27708	1.4
261.72708	1.4
277.11929	2.7
305.11435	100.0
323.12527	1.3
365.13571	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	365.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.7
61.98803	2.9
71.01377	2.9
73.02959	2.0
101.02459	2.4
112.52845	2.0
145.07700	11.1
160.06419	31.0
161.07199	52.0
165.05521	2.9
173.10817	3.7
175.08766	12.6
185.10800	7.9
186.11928	2.1
187.08820	18.0
189.06693	85.7
201.10336	36.6
203.08377	14.4
203.11861	22.1
218.06920	1.8
220.79379	1.8
229.09807	68.7
277.12100	1.9
280.39233	1.8
297.45941	2.0
305.11462	100.0
323.12491	2.8
365.13248	11.1
365.18182	9.0
371.50626	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	365.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99371	1.7
53.21359	1.8
54.18520	1.7
59.01377	37.7
69.26160	1.8
71.01376	9.5
73.02969	7.1
90.27860	2.0
92.19947	2.0
113.21620	2.5
129.82195	2.0
160.06407	10.8
161.07196	45.0
175.08768	46.6
187.08722	8.5
189.06700	100.0
201.10271	12.9
203.08289	48.2
203.11928	9.6
229.09839	42.2
292.33688	2.2
305.11429	91.0
323.12701	3.8
365.13397	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	365.1353
Annotation	1-beta-D-glucopyranosyl-L-tryptophan
Peak:m/z	Relative Intensity
53.63826	1.2
59.01357	2.8
72.82024	1.2
75.24506	1.4
77.18494	1.4
82.02964	7.8
99.05622	1.8
101.07115	1.8
109.04025	1.5
121.19730	1.5
127.05105	2.4
177.05576	7.0
179.07115	10.6
192.07918	36.4
205.05072	2.8
233.06973	2.0
234.07716	6.6
236.09283	10.6
238.10916	2.8
248.09314	7.6
291.09787	2.9
303.13507	15.6
304.55310	1.8
321.14526	23.8
347.12665	10.9
365.13477	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	365.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.4
59.01374	66.5
71.34669	2.6
72.99300	23.9
73.02934	4.3
78.99863	2.5
82.02991	4.6
89.02421	3.6
98.09527	2.4
99.04502	6.9
99.52688	2.6
101.02428	10.4
102.98576	4.0
113.02399	3.0
138.05574	5.0
143.07181	3.0
164.03546	18.9
190.08722	3.1
191.04633	94.6
216.10223	25.1
217.09818	3.4
229.06122	3.4
230.08163	17.9
231.07692	18.7
233.09274	18.5
244.04866	4.7
257.09329	4.3
258.06424	18.1
259.07040	4.1
259.07983	4.0
259.10837	60.8
273.08795	44.9
285.08780	17.7
303.09903	34.2
347.08789	71.7
365.09860	100.0
365.14517	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	365.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82310	1.9
57.03447	100.0
57.46515	2.3
58.32659	2.1
59.01377	95.7
71.01360	3.1
73.02943	4.1
85.02930	2.1
99.04504	98.0
101.02423	20.6
113.02428	3.7
125.02429	19.3
126.63455	2.1
143.07076	2.5
165.01930	3.0
169.07112	2.1
203.19310	1.9
229.86310	2.5
321.11972	26.6
323.13251	3.6
359.04874	2.2
365.14380	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	365.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.1
68.38721	0.8
71.01376	1.7
87.31839	0.8
92.19377	1.1
93.03427	1.6
96.05654	2.0
108.02148	12.4
123.04498	24.8
137.02422	1.0
140.06737	1.1
152.01137	21.7
165.01878	1.2
165.05544	5.2
167.03485	100.0
198.22951	0.8
203.08244	6.0
233.17578	1.2
277.16519	1.6
329.08771	16.4
350.23901	0.9
365.14191	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	18.4
59.01372	14.4
59.41390	1.6
75.75125	1.6
87.00874	10.4
93.71773	1.9
96.95989	13.1
99.04513	13.0
101.02407	3.7
108.02193	15.8
109.02918	3.7
111.00839	4.8
117.05515	2.1
123.04507	19.5
125.02390	2.5
133.01300	1.9
152.01161	23.5
153.01941	3.8
156.75604	1.9
167.03487	100.0
191.02003	3.2
210.99255	2.8
214.62343	2.0
321.11850	2.3
328.55368	2.2
329.08820	16.8
365.01764	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	365.064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	18.4
59.01372	14.4
59.41390	1.6
75.75125	1.6
87.00874	10.4
93.71773	1.9
96.95989	13.1
99.04513	13.0
101.02407	3.7
108.02193	15.8
109.02918	3.7
111.00839	4.8
117.05515	2.1
123.04507	19.5
125.02390	2.5
133.01300	1.9
152.01161	23.5
153.01941	3.8
156.75604	1.9
167.03487	100.0
191.02003	3.2
210.99255	2.8
214.62343	2.0
321.11850	2.3
328.55368	2.2
329.08820	16.8
365.01764	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	364.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89478	1.9
54.74358	1.7
59.01088	3.4
59.01377	100.0
63.04351	2.1
71.01368	44.2
73.02937	40.7
73.68995	2.1
83.01350	9.3
85.02960	16.2
89.02435	42.2
95.01379	3.0
101.02426	40.1
102.63897	2.0
113.02418	30.8
119.03490	11.3
142.06628	8.4
160.07683	4.0
161.04468	4.6
289.83685	2.4
304.11951	35.5
322.12964	40.8
346.73117	2.6
359.40289	2.4
364.14160	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	364.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	20.3
62.54835	2.7
71.01360	13.4
77.08007	3.4
77.28940	3.1
81.06524	3.0
89.02437	3.2
101.02416	4.7
113.02441	5.6
128.05049	40.9
130.06570	21.1
158.06100	100.0
183.06328	3.3
201.71260	3.0
202.05042	14.9
230.98967	3.5
304.11926	5.8
364.10544	24.3
370.85425	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	363.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.5
62.57314	1.6
63.72731	1.6
82.52512	2.0
110.94711	1.8
178.11835	2.0
242.96182	1.8
276.30179	1.8
281.24835	100.0
281.27927	3.2
334.23761	2.1
363.25186	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
64.80369	0.6
80.43603	0.8
94.88027	0.6
97.06609	0.7
99.08139	2.5
109.06566	1.2
111.08139	2.5
127.07626	0.9
129.09193	9.0
139.07669	6.1
139.11301	1.0
141.09206	1.2
143.10652	0.8
149.09648	0.7
167.10770	8.5
169.12302	2.3
177.60254	0.6
194.38234	0.6
216.13568	1.5
217.70552	0.6
345.22842	0.9
358.97202	0.7
363.23886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92215	84.7
72.86549	73.6
124.16106	100.0
315.90817	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27752	0.7
57.03451	1.6
57.68248	0.8
58.52364	0.9
59.01375	17.2
60.00562	0.9
61.98827	1.8
68.14175	0.9
69.03440	6.3
71.01369	10.5
73.02933	2.3
74.99080	5.1
75.00880	0.9
83.05022	3.8
85.02934	4.4
85.06577	1.3
87.00875	1.4
87.04489	1.3
89.02428	9.5
93.03409	1.4
95.05008	4.4
96.95973	3.6
97.06571	4.2
101.02416	5.2
109.06573	4.2
111.08129	2.0
113.02436	4.7
113.06055	4.9
115.07639	3.4
119.03490	1.9
121.06572	1.2
125.06071	7.5
127.07607	1.9
128.02963	1.7
136.99161	1.8
137.06094	1.4
139.07648	19.4
145.08690	2.2
150.65169	0.9
153.09155	6.7
157.08669	9.1
159.06593	22.4
167.10672	1.6
183.06609	7.9
193.08830	0.9
201.07661	5.4
201.11406	1.3
211.09692	1.7
243.12386	1.1
247.11899	9.7
319.00757	1.4
319.13959	1.7
345.19125	1.1
363.13336	27.3
363.20267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33770	0.7
59.01376	100.0
63.48567	0.7
70.44784	0.7
73.60557	0.7
75.71170	0.8
113.25017	0.8
119.71983	0.8
139.11702	0.8
343.58179	0.8
363.18384	1.9
363.22931	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
69.01396	1.2
84.86734	1.3
101.15662	1.2
103.35808	1.2
140.00667	1.1
221.94632	1.3
363.17905	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	363.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99696	0.9
56.96610	0.9
57.03447	1.9
59.01375	100.0
71.01375	5.2
73.02927	4.2
85.02948	4.5
87.00854	1.2
89.02440	1.3
101.02451	5.1
102.98601	1.8
111.56665	0.9
113.02442	2.2
303.20740	2.0
321.19080	6.7
363.10660	1.4
363.18250	12.5
363.23380	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	363.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01376	1.8
73.02937	1.0
83.01386	0.9
85.02939	1.3
87.00864	0.9
101.02410	3.4
103.30601	0.7
113.02428	1.1
164.07899	0.8
202.62857	0.7
211.27238	0.8
260.08420	0.9
321.19122	3.6
363.11105	1.1
363.18259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27116	1.3
51.75621	1.2
52.17286	1.3
53.25040	1.1
57.03424	2.2
59.01376	100.0
71.01366	27.3
73.02931	45.2
75.41833	1.5
83.01398	3.2
84.14701	1.4
85.02937	10.2
89.02419	15.8
101.02428	26.6
102.98582	11.0
109.06567	2.0
113.02444	14.1
119.03429	5.1
130.33647	1.5
159.10297	3.1
160.04016	2.7
183.10266	2.2
184.04047	2.2
187.99811	1.8
218.06970	9.5
229.10852	3.0
242.06989	17.2
243.07738	2.7
257.09280	2.9
303.14520	16.2
321.15585	18.9
363.08234	7.3
363.12729	3.0
363.16623	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90606	2.2
55.33020	2.5
59.01377	61.1
70.65076	2.5
71.01370	21.9
73.02940	67.4
73.86076	2.7
85.02930	5.2
89.02422	17.4
98.20229	2.8
101.02412	25.1
113.02422	6.3
121.10194	3.4
161.04564	4.2
183.10275	5.6
201.11362	3.1
223.65645	2.7
363.12277	5.4
363.16656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34498	1.3
57.03466	1.4
59.01378	100.0
71.01377	20.5
71.04999	1.6
73.02928	16.6
83.05015	2.8
85.02927	8.0
89.02434	9.0
95.01326	2.0
99.00834	1.9
101.02439	16.8
102.98592	7.5
113.02461	10.6
122.54345	1.4
130.97952	1.6
130.98944	1.6
139.07623	2.6
141.97191	1.5
159.10272	17.2
161.04564	2.8
271.10892	2.4
303.14374	9.6
321.15561	9.5
363.12405	8.1
363.16568	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47693	0.8
57.03465	0.9
59.01376	100.0
71.01376	14.5
73.02944	9.7
76.70175	0.9
80.46336	0.9
85.02932	8.2
87.86020	1.0
89.02416	5.8
97.06580	6.7
99.04494	1.4
101.02416	10.7
102.05290	1.0
102.98573	5.1
113.02452	9.6
123.08167	2.1
128.83989	0.9
141.09189	12.0
159.10269	17.2
161.04550	3.9
191.04645	2.0
205.06247	1.3
217.06186	3.6
219.07729	1.5
247.10883	4.9
257.05698	1.8
291.97757	1.0
303.14417	10.5
321.15628	2.3
363.08148	5.7
363.12451	2.2
363.16644	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	363.1298
Annotation	Pyridaben
Peak:m/z	Relative Intensity
51.57604	1.1
57.19295	0.9
58.35946	1.0
59.01378	25.1
71.01039	0.9
71.01371	10.4
73.02950	1.3
85.02950	7.9
89.02450	15.7
95.01379	1.2
95.65968	1.0
97.41058	1.1
101.02428	12.5
111.08143	18.7
113.02420	6.7
119.03482	5.1
124.31967	1.2
139.07637	14.0
141.09216	2.0
153.09186	2.1
157.08690	53.5
161.23102	1.2
183.06624	1.8
201.07713	13.2
203.14896	1.2
319.13806	3.6
334.80136	1.0
363.13010	100.0
363.20355	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	362.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35848	0.3
53.35132	0.3
61.98828	15.7
68.95858	0.3
68.97811	0.4
78.95888	0.8
79.95732	0.6
93.03402	1.1
96.95998	100.0
126.15862	0.3
137.02437	7.1
161.02466	0.8
202.92216	0.4
250.10860	2.2
299.07831	2.2
362.09238	2.3
362.19055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23735	1.1
59.01369	2.3
65.06557	1.5
71.38284	1.2
80.28574	1.2
82.85732	1.3
85.02942	1.3
87.00912	1.3
92.19273	1.5
107.05008	12.9
118.31352	1.2
121.02934	3.0
123.00880	1.7
134.03668	1.9
135.04504	100.0
138.03220	5.2
140.00174	1.2
153.05542	14.3
165.05536	19.2
166.99854	6.1
182.02174	30.0
196.34785	1.3
197.04544	42.7
305.96735	1.2
363.10886	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	363.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.9
71.77162	1.8
99.88848	1.4
108.02153	8.9
114.17580	1.7
122.03703	2.3
123.04495	16.4
125.81180	1.7
132.23723	1.6
149.02405	9.7
150.03201	77.5
152.01147	32.3
164.04781	8.8
165.05540	100.0
167.03477	56.4
167.04817	3.2
170.99687	1.5
180.04234	8.6
195.06627	35.1
363.10828	10.0
363.14880	2.5
363.17065	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	363.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22643	1.5
59.01375	10.5
67.47876	1.7
75.10398	1.8
78.58434	1.8
91.01765	1.9
108.02139	8.7
121.02930	9.5
121.06586	21.0
123.04505	12.6
127.25426	1.9
134.35823	2.3
141.09375	2.0
149.02420	12.0
150.03215	50.9
152.01143	21.2
164.04828	3.9
164.06131	2.1
165.05556	100.0
167.03467	37.4
180.04214	2.9
191.99707	2.0
195.06622	22.3
211.49182	2.0
256.07385	11.9
257.12842	2.3
271.09875	2.2
296.02231	2.4
315.08823	15.4
327.10846	23.9
356.55237	2.5
363.11011	9.9
363.16367	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	361.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18332	2.7
58.00092	2.6
59.01376	100.0
64.53448	2.6
72.45083	2.8
84.24618	3.0
103.96709	3.3
138.19917	3.1
161.98273	2.7
172.32407	3.3
201.11221	6.0
242.92799	4.3
257.19666	3.3
313.99429	3.4
355.79303	3.1
361.16473	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	361.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.51831	7.4
183.36159	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	361.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94896	1.5
59.01086	3.9
59.01380	100.0
64.95327	1.5
65.12181	1.6
89.15898	2.0
96.41579	1.9
129.20560	1.7
160.66049	2.0
193.22562	2.0
296.63950	1.8
340.98044	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	362.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98405	1.0
59.01372	1.6
61.98825	100.0
71.36237	1.1
83.10284	1.1
93.03431	8.3
112.31083	1.3
116.75366	1.1
137.02425	56.2
212.71925	1.4
224.00055	1.2
289.95154	1.5
299.07709	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	361.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71070	0.9
59.01379	16.1
65.85412	1.1
69.83636	1.3
72.37422	1.1
77.70945	1.2
78.15794	1.0
80.38297	1.1
106.30203	1.2
161.60840	1.0
279.23285	100.0
305.08157	1.3
361.13458	1.5
361.23618	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
67.52124	10.0
71.84039	10.4
141.75392	9.0
208.61107	9.5
290.10291	10.4
301.23840	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	361.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05272	0.9
55.27594	0.8
59.01374	13.1
63.68787	0.9
71.05037	1.4
71.05424	1.0
85.02936	10.0
99.08133	1.5
101.06049	1.6
103.77147	1.0
129.09198	6.6
173.66269	1.2
227.06654	1.3
273.20688	5.4
301.20200	100.0
319.21259	48.4
361.15146	1.2
361.22366	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65417	1.8
53.24842	1.8
57.03435	2.0
59.01384	30.0
69.66444	2.0
72.99290	3.1
78.55033	2.1
85.02956	12.4
85.06578	1.9
88.39913	2.2
92.19346	2.5
98.28552	2.0
101.02415	2.2
143.10742	2.6
148.35721	2.2
210.06657	2.1
256.29620	2.2
269.09161	3.1
273.20694	8.8
287.10474	3.5
301.20197	100.0
319.17596	4.7
319.21237	72.0
361.10208	2.5
361.17139	3.5
361.22345	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94965	0.6
57.44390	0.7
58.00582	0.7
59.01372	4.0
63.66201	0.7
68.26594	0.8
71.01376	0.7
72.91396	0.7
73.02943	1.3
101.06065	1.2
102.40498	0.7
109.06577	1.8
111.08173	5.3
121.06583	0.8
121.10204	1.8
129.09193	0.9
139.07628	14.5
153.09209	4.1
155.00095	0.8
171.10205	1.2
173.08174	1.8
203.09233	3.2
227.51880	0.8
228.04332	0.9
287.05615	1.8
319.21228	5.2
343.21295	2.6
361.15051	6.3
361.22333	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	361.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47329	1.0
55.81556	0.9
57.03453	1.1
59.01376	13.4
65.62805	0.8
66.91888	0.8
67.75166	0.9
69.46429	0.8
71.04984	1.2
80.39016	0.9
85.02959	1.1
97.06585	1.3
101.06078	2.3
109.06591	1.7
111.08140	7.4
115.07625	5.8
121.10214	1.6
126.57313	1.1
127.07658	1.0
129.09225	1.7
139.07645	10.3
141.09218	1.1
153.09227	1.5
162.40646	1.0
171.10222	1.2
184.05344	1.3
187.13374	1.3
195.13940	1.1
203.09274	1.9
255.19760	1.2
273.20776	3.9
287.05627	2.1
289.16501	1.0
301.20233	13.2
319.21268	51.2
324.00949	1.1
359.11969	1.0
361.15149	5.4
361.22318	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	361.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35909	0.7
51.47082	0.7
59.00126	0.8
59.01377	100.0
72.99305	1.3
80.15028	0.8
122.06099	1.1
132.04553	1.0
133.05331	1.1
140.84505	0.9
163.03983	1.2
201.10373	1.1
231.01588	1.0
233.40266	1.0
286.16980	1.1
287.17899	0.9
301.19205	17.1
361.10281	7.7
361.14612	2.1
361.21390	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	361.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83015	1.4
59.01378	22.5
62.68169	1.1
67.94903	1.2
72.99293	1.3
74.94984	1.1
79.66221	1.2
85.02936	14.3
87.00840	1.4
98.92334	1.2
99.00865	1.6
101.02415	1.4
115.70005	1.4
130.08717	2.1
132.04477	1.6
203.08226	1.7
211.17027	1.9
225.18477	1.6
227.16689	1.6
243.11517	1.8
255.19518	1.3
273.20721	10.6
301.20193	100.0
319.21274	63.4
325.18399	2.7
361.10153	4.8
361.14059	2.4
361.18021	3.1
361.22293	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	21.1
71.01374	1.2
73.82317	1.1
76.16040	1.0
85.02950	9.9
97.58211	1.1
115.07667	1.2
129.09183	5.1
143.10812	1.3
163.15440	1.1
185.93579	1.1
255.19569	1.5
273.20743	5.5
301.20209	100.0
319.21252	58.6
361.22311	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2135
Annotation	(-)-3beta-Hydroxy-13alpha-tigloyloxylupanine
Peak:m/z	Relative Intensity
59.01378	100.0
63.76074	1.3
66.93755	1.1
67.13625	1.2
71.00349	1.2
71.01382	1.5
83.63615	1.4
101.02431	1.3
125.06157	1.3
125.25040	1.2
131.69055	1.3
135.82596	1.4
135.83685	1.3
139.07655	2.1
145.89323	1.2
184.05359	1.5
228.04265	2.1
272.03305	2.4
287.05615	10.9
301.19238	18.0
361.22058	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
76.72194	0.8
84.04548	0.9
100.04028	1.1
108.02174	1.4
152.01088	0.9
167.03560	1.2
179.20883	0.9
232.09677	1.8
272.03201	1.5
287.05545	4.8
301.19235	21.3
361.21710	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	361.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56370	0.5
59.01376	100.0
60.70330	0.5
69.56584	0.5
71.01366	4.3
73.02953	4.4
73.58690	0.6
79.10825	0.5
79.11899	0.5
83.01384	1.0
85.02933	2.6
89.02422	3.5
99.90913	0.5
101.02415	4.4
113.02417	3.9
139.07637	6.3
157.08665	4.2
163.01187	0.5
173.15239	0.5
186.09229	1.3
212.10834	0.5
229.09761	3.4
255.11389	0.5
257.09299	3.1
286.16827	1.2
287.05573	0.7
301.13196	4.9
301.19223	18.0
319.14081	7.3
361.10376	4.1
361.15012	19.4
361.21265	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	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
62.00614	0.6
71.01366	5.8
72.99297	1.0
73.02930	11.6
83.01382	1.1
85.02931	4.5
89.02415	5.1
101.02432	6.9
107.78094	0.8
113.02428	4.4
115.00359	0.9
119.03448	1.2
131.03487	0.8
132.04520	0.9
133.01404	1.0
133.05293	1.0
153.09193	1.2
156.87151	0.7
161.04558	0.9
164.07155	0.9
171.10225	3.2
301.20230	6.2
319.21112	6.8
361.10339	4.3
361.15140	10.1
361.22086	5.4
366.04037	0.9
378.99158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77123	1.0
59.01377	100.0
59.64029	1.1
66.25777	1.0
68.85661	1.1
71.01373	6.2
72.89194	1.4
73.02930	12.4
83.01369	1.3
85.02926	9.7
89.02410	2.2
90.27754	1.2
101.02442	9.0
101.06075	1.3
113.02418	4.8
171.10248	1.3
227.06738	1.8
259.32999	1.3
273.20648	8.8
301.20197	80.5
319.17606	2.0
319.21265	44.4
361.22293	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96660	1.8
57.03428	1.5
58.02973	1.9
58.30110	1.5
59.01381	15.2
70.66077	1.7
71.01368	2.1
71.05022	1.8
81.54623	1.9
82.02943	2.0
84.04511	2.3
95.63107	1.6
99.05617	2.3
127.60130	1.9
139.07616	2.0
146.06114	46.4
147.04543	6.8
159.10219	2.5
165.05547	8.7
169.12279	6.8
173.08249	3.6
185.13078	2.9
188.10779	6.8
193.86691	1.8
201.11255	3.4
209.11844	3.5
213.10367	4.2
214.08777	2.7
231.11566	3.5
287.05771	2.1
299.22217	2.2
301.20316	6.3
317.18823	18.5
319.21216	21.9
361.17584	100.0
361.22360	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	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76341	0.8
52.69933	0.9
52.77813	0.7
55.27485	0.8
59.01377	100.0
63.72213	0.8
64.92590	0.9
71.01357	7.9
72.99298	1.2
73.02943	9.1
75.70190	0.9
84.04522	1.8
85.02939	6.1
89.02419	5.9
92.19401	1.1
101.02439	8.3
113.02390	5.2
119.04989	1.6
129.01932	1.3
132.04555	1.4
132.99388	0.9
133.05278	1.0
142.06554	1.1
157.07822	1.0
207.09360	1.1
225.10506	1.0
241.10063	1.6
252.70050	0.9
255.19640	1.1
269.09265	5.0
273.20740	2.3
287.10373	5.1
301.16870	1.9
301.20197	34.8
319.21210	20.1
329.11362	2.1
334.98349	1.1
348.24066	0.9
361.10339	4.8
361.14984	1.0
361.22330	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	361.1658
Annotation	Humirianthol
Peak:m/z	Relative Intensity
53.66475	2.0
54.07376	1.9
59.01376	24.1
71.01386	2.8
75.00926	2.8
81.30710	2.1
82.75259	2.2
84.55399	2.5
85.02939	9.2
87.72003	2.5
101.02432	3.0
109.02962	9.6
117.84226	2.4
121.02925	21.5
122.03716	29.4
136.05322	2.8
136.53934	2.4
147.04562	5.5
149.06172	2.5
165.05565	55.6
179.07089	18.0
181.12411	3.7
199.13402	3.5
273.20752	3.2
301.20184	75.8
315.12357	8.4
317.17670	5.8
319.21219	48.8
346.13998	5.8
361.16656	100.0
361.22321	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1657
Annotation	Macrocalin B
Peak:m/z	Relative Intensity
53.99349	0.9
57.03450	1.0
59.01356	1.7
64.32924	0.9
71.01379	1.1
73.02903	1.0
90.35007	0.9
92.19971	1.0
95.04982	1.0
95.43639	0.9
97.06561	1.6
101.04347	1.2
109.06578	5.4
111.08106	4.7
121.10233	1.1
122.03716	4.9
125.06077	1.4
127.07623	1.6
139.07658	10.9
143.10733	1.1
149.06030	1.1
161.06071	3.7
162.06871	1.2
163.03984	4.4
167.10721	1.4
169.12224	1.4
173.08141	5.8
179.07031	1.3
180.07910	34.2
182.05869	2.3
183.01834	0.9
184.05284	1.7
192.07901	5.5
193.08623	1.5
194.05811	6.5
195.06557	3.4
200.04852	1.4
203.09192	1.3
212.06920	6.0
226.08432	2.2
228.04227	1.2
272.03265	2.2
287.05658	7.1
287.16608	1.2
297.11234	1.4
313.10806	5.5
316.12918	1.2
317.17398	1.5
328.13043	10.2
331.15445	9.6
343.15372	2.4
361.09818	1.8
361.16565	49.3
361.22263	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	361.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93824	3.3
59.01375	89.8
62.26263	3.3
71.01373	30.7
72.99319	5.0
73.02931	6.2
79.05527	9.0
85.02937	7.3
89.02431	51.6
101.02413	27.9
107.08739	4.3
113.02425	24.2
119.03476	8.8
119.05007	28.4
119.08646	72.1
125.06062	3.8
137.09749	6.2
163.04041	15.7
271.69601	3.4
301.19778	3.7
317.12375	4.1
325.09238	7.9
361.10974	8.0
361.15048	100.0
361.19211	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	361.1506
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
50.19041	2.8
59.01381	75.6
71.01370	33.7
73.02935	28.4
81.07076	14.0
83.05048	3.0
85.02929	5.7
85.05964	3.4
89.02425	39.4
91.73310	3.2
95.04987	4.0
96.64654	3.3
101.02451	27.2
113.02429	14.5
113.06030	5.4
119.03481	4.7
125.06066	22.1
137.09674	14.7
155.01646	4.4
161.04564	6.9
335.47568	3.6
361.05783	5.2
361.10992	8.4
361.14999	100.0
361.18927	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	361.1504
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
54.12668	1.7
59.01078	4.0
59.01373	80.3
71.01364	28.7
72.99311	3.3
73.02936	86.5
81.03464	1.7
83.01365	12.8
85.02934	8.5
89.02422	13.3
99.04451	1.9
101.02425	49.8
110.06088	2.0
113.02423	12.3
122.06110	2.5
125.02433	2.6
131.03467	4.2
133.05321	3.5
139.07652	3.6
143.03503	2.1
161.04494	3.0
212.10739	3.2
237.67279	1.9
243.11375	3.7
247.79387	1.9
252.27423	1.8
255.11528	3.0
274.61063	2.0
287.10336	2.7
337.33664	1.9
361.10428	23.2
361.15024	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	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35718	0.6
52.84663	0.6
54.94056	0.7
56.87000	0.6
59.01374	100.0
60.40168	0.6
67.40958	0.7
69.55660	0.7
71.01368	13.5
72.99291	17.1
73.02940	12.5
83.01382	1.0
85.02934	5.1
87.00843	0.9
89.02438	15.7
95.01405	1.2
101.02424	16.4
110.06100	4.3
113.02422	10.9
119.03501	5.3
122.06085	10.6
132.04530	24.1
133.05316	26.4
134.06073	1.0
138.05606	1.1
139.07626	14.6
141.09210	0.8
157.08682	18.6
161.04684	1.4
162.05551	0.8
165.04311	3.5
166.05009	1.2
177.04305	11.3
186.09245	0.9
201.10283	6.5
209.03192	1.5
212.10890	6.8
213.10396	1.7
213.97711	0.8
229.09740	1.9
235.29428	0.8
240.09134	1.3
243.11374	18.4
255.11383	21.7
257.09317	15.8
287.10391	12.4
296.77509	1.0
299.10315	5.4
301.13000	12.2
301.19202	13.8
317.11444	3.5
319.13953	24.0
343.09238	1.1
361.10358	78.6
361.15015	46.0
361.21149	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	361.133
Annotation	Pandangolide 3
Peak:m/z	Relative Intensity
69.03024	0.3
69.93208	0.3
96.27017	0.3
130.29738	0.4
192.11508	0.3
277.03766	3.6
279.05573	0.5
343.12280	1.8
345.10181	5.1
359.11771	2.0
361.13306	100.0
379.14325	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64628	1.6
51.52856	1.6
59.01377	100.0
61.68789	1.4
69.66051	1.5
71.01371	30.5
72.99297	9.1
73.02922	21.4
74.70830	1.5
83.01376	3.1
85.02943	10.8
89.02441	17.3
99.00847	2.1
100.41861	1.7
101.02422	32.0
105.01900	2.1
113.02425	14.3
119.03510	3.2
119.05006	26.8
122.06063	8.2
132.04543	6.8
133.05336	10.3
157.08626	1.9
161.04530	3.1
163.03984	27.1
177.04327	3.5
212.10898	2.7
243.11328	4.0
255.11336	8.4
271.42340	1.8
275.14917	17.1
287.10330	2.2
319.14325	1.9
325.09415	8.2
361.10394	30.5
361.15009	58.8
361.19061	3.5
361.22348	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	361.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07663	1.3
56.50725	1.2
59.01376	37.7
67.64919	1.3
68.63988	1.3
71.01363	9.5
73.02926	2.1
85.02942	3.2
87.21309	1.5
91.19053	1.3
101.02427	6.4
108.70698	1.5
113.02451	2.2
121.02932	2.0
122.99938	2.0
123.00856	54.5
124.01635	8.4
137.02414	2.8
138.03217	100.0
139.04025	25.0
149.02417	2.8
161.04506	14.9
166.02658	2.6
178.02632	1.6
181.05054	5.9
184.79233	1.7
193.04950	1.8
287.27649	1.7
301.09290	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12351	1.3
51.39497	1.5
52.10368	1.3
59.01374	17.1
71.01376	2.7
72.96108	1.5
72.99299	18.6
73.02908	1.9
84.04532	2.4
85.02973	2.0
89.02445	2.7
101.02444	3.0
103.74031	1.5
110.06126	6.9
120.82632	1.5
122.06126	13.6
128.07173	2.5
132.04552	28.7
133.05321	29.6
138.05582	1.7
139.07683	2.2
157.08717	2.6
165.04323	2.7
166.05182	2.1
176.03557	1.6
177.04344	14.2
201.10339	3.1
209.03294	1.9
212.10851	10.2
213.10368	2.7
232.09761	2.6
243.11368	23.7
255.11401	27.1
287.10376	14.6
299.10403	8.2
317.11426	2.3
319.14114	2.9
361.10522	100.0
361.15063	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	361.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06766	1.7
57.90449	1.5
59.01375	55.3
71.01380	14.1
72.99293	14.4
73.02929	7.9
81.59509	1.5
83.01389	1.7
85.02927	3.5
85.70473	1.5
89.02422	12.5
99.00829	2.3
101.02413	15.6
110.06081	1.8
113.02442	8.1
119.03535	2.6
119.05003	100.0
119.05856	3.5
119.08624	8.9
122.06100	9.9
132.04524	19.9
133.05330	19.1
134.06143	3.0
137.09695	2.8
163.03989	44.3
177.04257	2.8
177.21524	1.8
181.08655	1.8
199.09737	7.0
201.10347	2.2
203.64154	1.7
212.10762	2.8
213.10425	2.3
224.16635	1.7
232.48485	1.8
243.11348	14.1
255.11337	19.3
261.48245	1.7
287.10443	7.7
299.10382	3.6
317.11383	1.8
325.05673	3.0
325.09232	31.5
361.10352	54.5
361.14996	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	361.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44397	0.9
59.01373	1.4
67.05299	0.9
80.93080	1.1
85.02870	1.2
92.88514	1.0
98.64481	1.1
139.00357	1.1
140.01134	13.4
153.05423	1.0
155.03493	18.4
164.98276	15.3
180.00591	14.8
181.01428	1.3
182.99329	74.1
198.01689	83.5
199.02597	4.0
215.09567	1.0
233.16196	1.0
343.06686	6.6
361.07773	100.0
363.74493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	36.1
59.13345	1.1
68.84137	1.5
71.01374	3.3
72.99287	23.1
73.02930	9.4
81.33043	1.5
84.75616	1.6
89.02425	2.8
99.00837	1.5
101.02441	10.9
110.06068	2.7
113.02440	2.8
119.03474	1.4
119.05012	17.3
122.06063	14.8
132.04533	32.2
133.05325	40.1
139.07634	7.8
157.08713	2.1
163.03993	13.5
165.04311	2.8
166.05083	2.8
176.03546	2.5
177.04300	21.3
201.10323	7.2
207.68610	1.7
212.10817	9.4
213.10286	2.4
225.84769	1.4
227.08356	1.7
243.11360	22.2
255.11391	30.5
287.10361	19.6
299.10385	12.3
317.11371	6.3
319.13821	3.1
325.09192	6.0
336.40173	1.8
361.10355	100.0
361.14993	31.5
361.22003	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	361.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26585	1.1
71.44667	1.6
78.28963	1.4
79.69441	1.3
102.70538	1.6
105.83179	1.4
119.52607	1.3
156.05724	5.1
171.04510	3.0
172.05286	8.2
183.04498	5.6
184.05257	37.3
185.06049	2.7
186.06816	6.7
196.05403	3.3
197.06085	2.8
199.03972	7.4
200.04797	32.4
211.03987	9.0
211.06142	1.2
212.04770	1.9
213.05586	3.0
214.06352	7.4
228.04301	53.2
240.04256	3.0
243.06624	6.2
258.05573	1.5
272.03235	44.2
287.05600	100.0
317.06659	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40198	1.5
51.63114	1.6
57.26312	1.5
59.01389	17.6
71.01360	7.9
72.99309	3.8
87.00858	3.7
88.73203	1.7
89.02431	7.3
91.40881	1.7
101.02468	3.0
112.30420	1.8
117.54551	1.8
119.08674	2.7
133.05266	3.2
137.09695	3.8
146.03510	1.9
156.05765	8.0
171.04530	2.1
172.05209	8.7
177.04341	2.1
184.05295	41.3
185.06044	3.3
186.06834	3.6
197.06046	3.5
198.12563	1.7
199.03995	3.9
200.04832	28.4
211.03952	3.9
212.10768	2.2
213.05574	2.8
214.06364	4.5
228.04276	43.8
240.04254	3.4
243.06612	8.5
243.11436	2.7
255.11311	7.3
272.03244	54.7
287.05630	100.0
287.10452	2.5
317.06689	10.8
361.10345	23.0
361.15009	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71373	4.7
59.01378	100.0
84.16145	5.7
84.38323	4.4
96.92668	5.5
127.37988	5.2
127.40606	5.4
130.95821	4.8
135.21323	5.0
170.47781	6.4
187.80620	5.3
217.00133	5.5
293.04977	5.7
354.88501	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	360.0715
Annotation	2-methyladenosine 5'-phosphate
Peak:m/z	Relative Intensity
60.30257	0.7
67.93040	0.8
77.73929	0.7
78.95898	21.1
106.97090	0.8
107.03584	0.9
110.65240	0.7
110.98513	26.9
113.02419	1.0
134.04716	100.0
138.03209	1.7
139.03557	0.9
150.01720	0.8
152.99579	9.5
164.99626	1.1
176.99568	1.1
179.55046	0.8
182.02182	1.0
183.02522	1.2
196.81952	0.8
198.04849	3.1
239.11945	0.8
262.59998	0.8
301.10077	0.8
309.37000	0.7
335.08640	0.7
360.07129	52.8
377.69135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66740	0.5
56.07159	0.5
59.01376	5.8
68.00811	0.6
71.01375	2.9
89.02422	3.0
91.05222	0.7
92.05036	1.4
101.02399	0.9
113.02419	1.3
119.03471	0.9
120.35278	0.6
136.04031	100.0
174.24863	0.6
180.03021	48.2
198.04930	0.6
278.77557	0.6
356.15628	0.7
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
50.88440	1.6
54.64237	1.4
54.77617	1.2
55.02005	1.3
59.01376	23.0
61.07277	1.4
68.57648	1.6
73.61534	1.5
88.78419	1.4
99.31248	1.5
102.58816	1.5
117.04832	1.4
119.31659	1.5
135.24850	1.7
188.07254	1.9
241.42859	1.9
242.95398	1.5
268.30533	1.5
277.21710	100.0
339.25595	1.6
359.22052	53.8
382.85199	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	359.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47834	0.9
58.28350	1.0
59.01381	1.6
67.05502	1.0
69.03455	2.1
71.05000	1.7
73.02953	1.3
83.05016	6.6
85.06589	6.1
95.04989	8.4
97.06592	2.0
101.06082	4.7
105.49174	1.0
106.04233	2.5
109.06567	7.4
109.59402	1.2
111.08158	8.3
127.07616	7.9
134.37155	1.2
137.09741	1.3
139.07640	4.6
149.09679	14.7
160.05336	2.0
162.03174	1.8
172.05309	12.9
173.08177	51.8
174.03206	1.7
175.07637	2.2
187.07634	11.4
190.06374	6.4
191.07114	2.0
200.27266	1.2
203.09297	1.9
205.08647	2.3
207.06575	1.2
216.69638	1.2
251.12909	2.8
287.14978	2.7
323.12970	1.4
329.14096	2.0
341.13995	10.4
341.18936	1.2
351.43469	1.3
359.15115	10.5
359.20761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95706	2.6
56.55964	2.5
59.01383	7.6
60.52698	3.0
69.88355	3.1
85.02948	13.4
94.90474	2.8
121.02934	14.2
213.14996	4.8
231.02945	3.3
237.18623	83.6
253.18106	6.6
255.19717	12.1
271.19208	31.5
281.17575	28.3
291.79715	3.4
299.18625	100.0
317.19724	54.8
359.20807	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12307	0.8
54.88402	0.9
57.21432	0.8
59.01394	1.7
69.03444	2.5
77.31006	1.2
83.05019	10.8
85.06575	6.1
92.19936	1.4
95.05016	9.1
97.06585	1.6
101.06053	6.5
106.04253	2.4
109.06584	7.3
111.08141	6.1
116.66386	1.0
127.07673	8.7
137.09702	1.4
139.07645	5.8
149.09700	10.9
173.08176	58.3
200.10193	1.3
203.09328	2.0
205.12347	1.1
210.37952	1.1
251.12912	4.3
284.68652	1.2
287.15051	4.5
359.20798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
72.99287	3.1
83.05017	3.5
84.02149	2.9
85.02979	3.1
86.86677	3.1
88.50397	2.6
95.05035	2.4
97.02943	26.9
98.03699	3.1
101.02415	2.8
102.89681	2.6
108.02147	2.3
109.06565	3.7
111.08159	4.6
113.02341	2.8
133.10191	11.2
153.09201	47.6
157.21863	2.6
167.08624	5.2
173.08170	14.6
187.07669	5.0
187.12306	3.9
197.08147	31.5
227.09163	3.2
285.16092	29.6
299.11383	5.8
299.14227	4.1
299.17648	99.9
329.10294	6.4
341.13742	3.5
359.14297	5.8
359.16223	4.1
359.20850	47.7
382.53497	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94465	0.8
58.02964	0.8
59.01380	1.9
63.28262	0.7
68.94012	0.7
71.01344	0.8
83.79320	0.8
85.87039	1.0
86.19104	0.9
102.98611	0.8
126.09216	5.0
127.07612	8.7
142.08728	1.4
144.10274	9.4
153.05650	1.8
170.08226	12.0
186.78027	0.8
188.09279	100.0
228.98120	6.0
235.18277	1.2
236.16568	1.3
253.19420	1.4
278.39258	1.0
279.16925	1.2
280.15549	1.2
294.16113	0.8
297.18100	6.1
298.16510	6.3
314.16025	1.2
315.54404	0.9
327.03922	0.9
359.09073	4.2
359.18237	95.7
359.53964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55359	2.5
54.49965	2.3
68.80796	2.6
92.19343	5.5
97.02683	2.7
122.89170	3.5
132.72604	3.3
148.05283	16.8
160.05260	32.8
161.06049	24.3
162.03123	3.9
162.06894	5.2
172.05292	94.8
174.03218	6.1
175.07571	21.1
178.06316	22.9
187.07649	90.6
189.05562	3.8
190.06360	49.0
191.05518	3.1
191.07173	22.1
193.05038	3.2
205.08675	18.8
207.06544	4.6
208.07385	3.5
210.05298	5.9
293.08176	12.4
296.10568	6.6
299.12833	4.6
308.10535	5.5
311.12939	11.8
323.12823	4.6
325.10593	3.4
329.13971	32.6
341.13989	82.1
341.18018	4.8
351.81140	2.9
359.15002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1501
Annotation	(-)-Lariciresinol
Peak:m/z	Relative Intensity
54.79630	2.0
58.27370	2.0
59.01370	4.4
92.19360	3.8
96.90315	2.4
135.04517	9.9
138.71451	2.6
150.03255	4.3
167.21446	2.3
179.07138	30.6
180.07915	100.0
182.05898	3.1
194.09462	5.6
195.10208	10.8
208.07423	31.6
223.09744	85.7
269.08209	6.0
299.09210	10.7
311.09268	12.5
314.11606	10.6
317.19623	14.2
326.11609	4.5
329.13977	10.1
341.13837	10.1
359.14993	54.7
359.20657	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	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30630	1.4
59.01377	11.7
67.00600	1.4
90.63041	1.7
90.79807	1.5
131.99940	1.5
133.85219	1.5
144.88757	1.6
185.11765	2.6
234.92212	1.8
258.08826	1.9
269.08322	2.1
270.08957	6.7
284.06827	6.5
285.11343	15.4
286.08463	7.4
296.06900	2.6
297.07590	1.8
299.09253	35.6
299.18512	3.2
301.10837	8.6
311.09286	9.2
314.07977	28.0
317.19638	17.4
329.10330	83.0
336.30508	1.7
344.12695	32.2
359.15002	100.0
359.20682	17.3
359.57031	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	359.1348
Annotation	Semperoside
Peak:m/z	Relative Intensity
52.00792	2.3
59.01379	60.0
63.70572	1.8
71.01374	5.3
73.02940	3.0
75.00854	4.6
85.02949	17.9
90.81274	2.3
97.02937	21.6
98.03728	3.0
101.02442	5.5
109.06563	14.2
133.10217	34.4
135.08131	4.0
137.78552	2.6
151.11264	3.9
153.09198	100.0
167.10732	19.4
182.17520	2.7
187.12465	3.7
195.10237	11.3
197.08195	52.7
201.92520	3.2
239.09366	2.7
269.10355	14.4
285.16031	16.2
299.11417	33.4
299.17670	60.6
311.71289	2.8
317.19678	14.8
359.13608	17.6
359.20773	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	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01084	3.5
59.01376	78.0
69.03442	3.0
71.01366	9.2
73.02947	2.6
78.13076	2.0
81.14829	1.9
83.05022	9.3
85.02927	14.0
85.06599	2.6
89.02461	2.7
95.05023	4.1
97.02941	23.3
97.06622	3.0
98.03699	2.5
99.04476	1.9
101.02422	8.5
101.06085	2.2
109.06560	14.6
111.04494	2.3
111.08141	7.6
113.06036	3.6
115.76677	1.8
118.85496	2.1
121.10213	2.8
127.07625	8.0
130.76253	1.8
133.10223	37.1
135.08139	4.1
137.09671	4.0
139.07608	9.8
149.09702	12.4
151.11314	4.3
153.09196	100.0
167.10785	26.8
173.08182	34.5
179.07259	2.0
187.12436	4.0
195.10300	10.0
197.08176	52.5
203.09218	9.9
212.14340	3.9
239.09224	3.4
269.10245	8.3
285.16095	16.7
299.11514	32.8
299.17636	68.3
328.75589	1.9
329.10208	2.3
341.14322	2.2
359.13702	13.7
359.20764	94.7
359.25342	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	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01084	3.5
59.01376	78.0
69.03442	3.0
71.01366	9.2
73.02947	2.6
78.13076	2.0
81.14829	1.9
83.05022	9.3
85.02927	14.0
85.06599	2.6
89.02461	2.7
95.05023	4.1
97.02941	23.3
97.06622	3.0
98.03699	2.5
99.04476	1.9
101.02422	8.5
101.06085	2.2
109.06560	14.6
111.04494	2.3
111.08141	7.6
113.06036	3.6
115.76677	1.8
118.85496	2.1
121.10213	2.8
127.07625	8.0
130.76253	1.8
133.10223	37.1
135.08139	4.1
137.09671	4.0
139.07608	9.8
149.09702	12.4
151.11314	4.3
153.09196	100.0
167.10785	26.8
173.08182	34.5
179.07259	2.0
187.12436	4.0
195.10300	10.0
197.08176	52.5
203.09218	9.9
212.14340	3.9
239.09224	3.4
269.10245	8.3
285.16095	16.7
299.11514	32.8
299.17636	68.3
328.75589	1.9
329.10208	2.3
341.14322	2.2
359.13702	13.7
359.20764	94.7
359.25342	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	359.1137
Annotation	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone
Peak:m/z	Relative Intensity
52.41600	3.8
55.10014	3.9
59.01379	26.8
78.20692	3.8
80.38062	4.1
89.03400	4.1
108.61618	4.0
122.66594	4.3
134.03690	38.3
149.06026	45.2
160.01668	18.2
162.03133	5.1
175.03984	5.8
177.01981	30.4
178.02695	5.9
192.04245	10.6
236.31351	3.9
283.16986	27.7
298.04855	17.2
299.09143	7.9
312.06644	6.1
313.07196	55.1
314.04294	10.8
314.63141	5.4
327.08936	6.0
329.06653	25.7
359.11365	100.0
359.18689	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	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
51.16544	0.7
54.51180	1.0
59.01382	2.0
61.05111	0.8
73.26549	1.0
88.71052	0.9
89.06643	0.9
102.98597	1.0
114.61084	1.1
123.00878	18.2
138.03212	75.0
153.05556	33.2
166.99850	5.8
182.02197	69.4
196.03749	1.0
197.04543	100.0
291.78809	0.9
312.15833	1.0
359.09866	9.6
360.69769	1.1
380.60419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43747	0.6
63.99622	0.7
75.17319	0.7
82.97421	0.7
123.00864	16.4
138.03220	74.9
153.05563	29.9
166.99835	6.7
176.22382	0.7
182.02211	70.1
197.04553	100.0
199.19600	0.7
278.21973	0.8
359.09912	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	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03321	1.0
57.16967	1.1
59.01377	1.2
61.05877	1.2
68.60614	1.2
72.99306	5.5
75.00863	100.0
81.60187	1.2
84.17039	1.2
93.03423	2.2
99.64910	1.3
107.05006	37.4
117.03433	2.0
121.02937	29.1
135.04510	56.6
197.04558	19.1
224.23357	1.3
274.25836	1.3
312.55215	1.4
359.09845	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98105	0.7
59.01376	94.3
68.49062	0.9
72.99306	1.2
83.56530	0.7
113.09179	0.7
115.76675	0.7
130.91136	0.8
156.99881	1.0
157.03510	5.7
159.01492	1.8
174.99236	42.5
201.02539	27.8
217.00293	100.0
274.88745	1.1
274.99545	1.6
313.32434	0.8
317.00708	8.8
359.01556	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
68.95815	0.7
70.27256	0.7
71.01371	0.8
72.29630	0.7
85.02917	1.0
89.04961	0.7
89.34354	0.7
123.00866	18.7
126.15105	0.7
138.02106	1.4
138.03214	78.9
153.05559	36.4
166.99831	7.4
182.02206	77.1
197.04549	100.0
201.57762	0.8
247.88644	0.7
359.09799	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	358.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.6
59.01376	17.7
65.01544	3.0
96.08164	8.4
97.06549	5.2
101.02440	74.9
102.98567	4.1
109.63948	3.6
113.09708	21.7
115.07626	33.0
128.10757	6.7
130.08723	46.1
130.82632	3.4
136.11314	61.4
140.10805	76.3
152.09125	3.5
153.09203	8.0
154.09532	5.8
158.42363	4.1
172.09766	4.2
180.10324	4.9
191.14420	4.8
192.14003	4.0
210.73026	3.8
296.18597	34.7
303.47729	4.0
328.17703	5.6
334.91937	4.0
340.17728	31.7
358.14935	4.5
358.18860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2648
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.34077	3.1
55.86753	3.1
58.44395	3.4
59.01376	8.1
70.51781	3.9
82.20144	3.6
86.02405	3.4
89.31802	4.2
94.98046	7.4
99.08167	9.7
122.17961	4.4
133.66267	3.6
199.60487	3.8
201.56900	3.9
211.17059	4.2
239.16606	37.8
242.69356	4.7
257.17673	7.8
310.25134	4.1
357.22397	8.2
357.26489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98032	1.0
52.05556	1.0
54.50775	1.0
59.01378	100.0
59.04993	0.9
71.01382	1.7
73.02950	1.6
75.11747	1.5
82.87708	1.1
83.79035	1.2
85.02942	2.4
87.21557	1.2
89.02453	1.5
92.19916	1.4
101.02464	2.0
102.17519	1.2
113.02408	1.9
127.27038	1.4
156.93483	1.1
161.04494	1.3
173.90033	1.3
184.12686	1.2
315.18164	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	357.1919
Annotation	19-hydroxy-2,3-dinor-6-oxo-PGF1alpha
Peak:m/z	Relative Intensity
51.55842	0.8
59.01364	2.3
59.22799	0.8
65.03968	1.4
65.95149	0.8
69.03436	4.5
71.01369	0.8
71.05015	1.7
72.99308	1.8
73.02939	3.8
75.95435	0.9
81.03467	1.2
83.05016	5.4
85.06547	2.1
87.04491	3.7
88.41840	0.9
91.77979	0.8
95.05013	1.4
97.06576	4.7
99.04494	1.4
100.05340	1.0
101.06072	3.8
109.06591	6.1
111.04490	1.5
111.08126	6.0
113.06072	1.2
115.07656	1.3
121.06628	0.9
123.08216	1.5
125.06070	5.2
127.07629	7.9
135.08125	1.6
136.01628	4.9
137.06091	1.5
137.09764	1.8
139.07611	12.4
141.09198	3.9
147.08142	2.1
149.09695	1.6
151.03996	5.2
151.07561	1.0
153.09160	1.5
165.09177	5.5
167.10733	2.2
173.08147	4.1
175.11224	1.2
177.09206	2.1
177.12816	2.0
181.48112	1.0
187.11302	1.3
191.06586	1.0
191.10739	1.9
193.12520	1.1
201.07648	3.7
203.09242	11.8
203.10838	4.6
205.12230	1.5
215.09235	5.9
217.10638	1.2
221.11809	5.4
229.10626	1.2
241.10892	7.9
243.12460	1.3
249.11209	9.4
267.12347	9.7
285.13452	5.8
297.17035	1.2
321.17023	8.5
339.18048	6.7
357.19205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00827	2.2
59.01368	11.2
61.19466	2.6
71.25727	2.3
73.02944	3.9
75.00857	6.0
85.62527	2.4
90.34352	2.6
121.03062	2.5
136.01639	22.4
137.09784	2.6
139.07683	3.9
151.03990	31.8
163.04021	3.3
166.79050	2.9
176.04773	35.6
188.04813	32.1
189.05586	45.7
190.06273	4.0
191.03477	3.3
203.07133	16.4
205.05017	11.0
206.05785	11.7
208.03839	10.7
238.04909	2.9
251.10426	2.6
269.15408	3.2
309.07648	13.1
311.09351	3.0
313.16718	2.8
313.20050	4.8
315.18188	10.7
321.16830	2.8
324.10013	4.7
327.12344	3.4
339.12128	4.3
357.13409	100.0
357.19156	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60844	1.6
59.01378	30.2
62.13045	1.7
73.02930	4.6
75.25786	1.7
77.97284	1.9
82.21236	2.0
87.00862	100.0
97.52731	2.1
198.85594	2.3
200.25339	1.9
208.68590	2.5
214.10130	2.7
235.13272	3.0
253.14458	2.5
283.13431	4.3
295.15665	3.4
302.47720	2.4
313.16663	68.8
315.17963	10.2
334.94595	3.0
357.19226	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	357.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01082	4.0
59.01376	100.0
62.03984	1.8
71.01369	28.6
73.02928	13.2
75.44212	1.7
77.82732	2.0
83.01375	2.8
85.02934	11.1
87.00858	2.8
89.02431	4.3
101.02419	23.7
113.02421	14.1
136.01538	2.7
151.04001	8.6
153.09174	3.9
161.04539	3.3
161.77472	2.7
297.13406	4.7
311.39963	2.6
315.14474	28.8
337.40793	2.1
343.80377	2.0
357.15613	20.2
357.19336	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	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.31591	0.7
56.65506	0.6
58.02982	3.0
58.04999	0.7
71.01387	1.2
96.22086	0.8
99.04544	0.8
119.05005	17.0
124.01596	1.3
134.03766	3.2
135.04500	10.5
135.24146	0.7
136.05295	12.4
149.06049	17.2
150.03180	0.9
151.03978	1.6
151.07635	15.0
160.22543	1.0
162.70879	0.8
195.06631	100.0
209.51675	0.7
220.84988	0.7
229.99850	0.7
243.46185	0.8
249.94675	0.7
357.11914	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	357.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35932	3.8
51.56445	3.8
55.40201	4.2
72.75229	4.8
72.95225	4.5
85.02898	5.7
157.23604	5.0
176.04767	29.7
188.04721	34.0
189.05556	44.8
205.05016	9.5
206.05858	9.7
208.03714	19.9
209.04317	10.3
297.16727	6.8
309.07764	9.9
315.18176	18.6
321.49594	5.1
324.10178	8.6
327.08783	9.9
327.12411	9.8
357.13391	100.0
357.18130	7.0
357.19177	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	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12644	0.5
59.01376	100.0
73.02943	0.7
82.52689	0.5
93.03446	14.7
96.66666	0.5
101.02360	0.5
107.41711	0.5
122.64535	0.6
155.13245	0.6
210.59419	0.6
211.13434	0.7
220.73096	0.6
292.12479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
54.82197	1.0
55.52689	0.9
55.69933	0.9
59.01375	19.7
71.01344	1.2
119.04971	1.8
121.71626	1.1
123.04467	2.2
135.04498	7.2
136.05299	11.5
151.04018	1.2
151.07654	2.5
174.21866	1.1
195.06628	100.0
292.81616	1.1
304.54593	1.4
357.11920	8.8
357.15753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95427	0.8
59.01370	4.1
64.09184	0.8
71.01357	1.7
75.22191	0.7
82.36489	0.8
87.00837	1.1
91.05489	1.2
96.95977	6.4
101.02327	0.8
107.05020	1.1
109.02931	7.0
117.07029	1.1
120.02135	3.5
123.04494	0.9
136.34607	0.9
138.03224	11.2
150.06876	5.8
151.06059	1.6
153.01971	12.8
153.05551	100.0
187.03975	1.7
229.40292	0.8
248.17122	0.9
357.08090	4.4
357.11957	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	357.0979
Annotation	(-)-2,3,4-Trimethoxy-8,9-methylenedioxypterocarpan
Peak:m/z	Relative Intensity
59.01377	4.3
60.15240	2.1
97.01443	2.5
120.15672	2.4
143.11929	2.5
167.03510	11.7
181.75497	2.5
213.37714	2.6
214.52496	3.1
225.05568	4.5
252.04131	3.4
253.05083	11.6
256.03741	6.1
267.06677	3.2
268.03833	12.8
271.06171	4.7
279.06509	3.0
281.08154	5.5
282.05307	5.9
283.06009	12.8
296.03183	26.8
296.06558	5.7
297.04001	19.8
297.07538	11.6
299.05634	3.9
310.04861	5.0
311.05704	100.0
311.09225	18.5
312.02820	11.6
312.06430	15.9
325.07199	6.2
326.07941	29.7
326.11649	9.4
327.05075	93.8
327.08722	14.2
327.12454	11.2
342.01636	2.8
342.07471	28.4
357.09738	89.8
357.13550	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	357.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.0
59.01381	25.5
71.01362	12.3
73.02942	2.1
75.00864	28.3
75.66644	1.7
78.15163	1.8
83.01391	1.5
85.02912	4.0
89.02442	22.9
99.00902	11.7
101.02435	13.0
108.18465	1.6
109.04040	1.8
111.00896	3.4
113.02409	3.9
119.03448	8.5
127.05097	3.6
128.03477	2.0
129.01935	18.9
141.01886	3.2
145.06163	21.1
152.99622	2.3
159.02959	3.7
177.04021	3.1
232.38142	1.7
270.99948	3.8
309.77917	1.9
321.48688	1.7
357.10382	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	356.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08972	1.2
55.31176	1.0
57.03450	11.1
58.02981	1.2
59.01382	12.2
63.16355	1.3
65.26170	1.1
67.05499	1.0
71.01380	6.0
88.04028	65.1
96.27401	1.3
101.44288	1.3
107.05001	1.5
108.05383	1.6
115.00368	18.7
132.03012	100.0
134.03696	2.3
163.07655	2.1
197.11790	1.8
240.12407	5.5
241.10907	1.8
252.12563	1.6
344.56909	1.7
356.09402	2.8
356.13541	71.0
356.82068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	16.1
59.76239	1.0
70.18681	1.1
82.06635	1.8
87.05628	11.2
96.84250	1.3
129.06662	6.8
130.08713	99.2
144.31233	1.3
155.11876	2.0
157.13409	2.2
166.08720	19.4
172.48903	1.2
183.11348	3.2
199.18176	21.0
209.16614	1.7
224.14249	1.5
225.12436	2.9
243.17133	3.1
257.19092	1.4
270.21860	63.7
277.01639	1.4
323.03320	1.3
356.21918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0618
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
65.93758	1.0
65.94371	0.7
88.10654	0.7
92.19936	1.1
94.49471	0.7
121.02938	100.0
180.05783	1.2
181.06575	8.1
225.05627	3.2
230.37488	0.8
313.07220	4.1
357.06186	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57718	1.1
58.02974	100.0
58.23486	1.0
76.02244	4.9
92.20030	1.2
118.02499	2.4
118.03312	66.4
118.28458	1.2
134.03737	39.9
149.06050	37.1
154.05441	1.4
162.02298	32.7
171.06473	1.2
173.10515	1.2
175.07268	1.2
178.02672	2.2
193.04993	10.6
196.42650	1.3
312.09134	5.7
321.35974	1.2
325.17911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.249
Annotation	13,14-dihydro-15-keto-PGF1alpha
Peak:m/z	Relative Intensity
50.87028	0.9
58.85335	0.9
59.01370	7.1
69.18134	1.1
83.05013	1.5
99.08160	8.3
113.09753	1.1
129.09239	7.9
139.11263	1.5
141.09192	2.0
153.12837	2.1
179.14536	1.1
181.15897	1.3
185.24762	1.2
195.13928	2.5
211.13379	1.6
223.13434	1.9
225.14986	16.9
237.14996	9.6
319.22791	1.6
337.23865	2.5
355.24899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2491
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
52.54091	1.0
54.84592	1.2
59.01350	1.5
60.28582	1.0
67.48528	1.1
70.33066	1.3
80.66225	1.2
85.02942	1.3
89.03291	1.3
99.08169	10.0
100.25491	1.2
127.11280	9.2
134.64276	1.3
139.11278	35.3
153.12849	9.7
155.10796	1.4
157.12357	1.9
169.12302	1.3
183.30038	1.2
197.09984	1.8
197.11827	49.1
237.15036	1.9
254.08943	1.3
355.24911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59089	3.2
62.60133	3.3
129.09177	8.7
146.69377	4.3
192.39032	4.3
197.11794	5.8
224.40192	4.5
225.14987	29.0
285.65628	4.1
355.19781	18.9
355.24890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2489
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
56.13853	2.4
59.01373	13.8
64.28936	2.5
66.95379	2.7
124.66971	3.4
129.09192	39.0
141.09233	5.2
213.14981	48.9
225.14966	40.7
234.04416	3.2
237.15088	4.0
319.22849	6.6
339.11996	3.1
355.24927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2488
Annotation	13,14-dihydro PGF2alpha
Peak:m/z	Relative Intensity
50.61183	2.1
51.26722	1.9
59.01373	2.7
68.58301	2.8
77.03618	2.2
82.90215	2.2
99.08113	8.4
127.11228	3.3
131.43312	2.3
132.60179	2.7
139.11285	16.8
142.77745	2.5
153.12804	4.6
193.15997	2.4
197.11835	23.0
198.42973	2.8
237.14946	20.1
255.16068	2.7
263.14120	2.6
355.24921	100.0
355.79852	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	355.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20367	2.1
57.03456	2.6
58.02962	5.8
59.01370	14.7
59.37488	2.2
59.40095	2.4
63.72795	2.1
68.22620	2.2
71.01376	13.0
72.14954	2.4
73.02945	36.9
82.04101	62.6
84.05672	3.9
85.02949	12.3
86.48013	2.7
88.89055	2.4
106.07302	3.3
111.08186	2.5
112.05164	3.3
122.07220	24.8
124.05151	11.7
129.10352	24.2
139.07689	5.9
141.10304	4.9
149.02353	2.7
154.09833	5.6
155.11871	3.9
171.11420	2.7
171.12550	31.2
176.11940	3.6
177.01869	2.5
194.05978	2.7
195.12524	37.8
197.14108	6.0
207.07730	2.8
207.12610	3.3
225.13635	3.0
237.13510	3.6
251.10208	3.5
265.88235	2.4
303.10590	2.4
313.21344	42.0
355.14590	3.2
355.23560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.249
Annotation	13,14-dihydro-15-keto-PGF1alpha
Peak:m/z	Relative Intensity
52.12374	2.1
70.97504	2.4
72.40466	2.4
72.63076	2.2
74.42798	2.5
92.31755	2.9
99.08144	4.6
129.09103	3.0
139.11269	5.7
191.38338	2.7
197.11810	4.3
235.15424	2.5
252.40805	2.5
255.16118	4.8
337.23978	5.5
355.24896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2489
Annotation	13,14-dihydro-15-keto-PGF1alpha
Peak:m/z	Relative Intensity
51.26749	0.8
57.03422	0.8
59.01368	3.8
63.52874	0.8
67.91968	0.7
77.24610	0.8
83.05013	1.4
99.08122	5.8
113.09756	0.9
127.07626	1.9
129.09189	14.4
136.38989	0.8
139.11263	2.0
140.19530	0.9
141.09218	1.5
141.97684	0.8
183.10237	1.6
195.13889	1.3
211.13438	4.7
223.13428	5.7
225.14882	4.4
237.15015	3.5
271.13675	0.9
319.22736	3.5
337.23956	5.8
355.24902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	3.3
59.01368	2.0
61.98808	3.9
64.44611	0.8
71.01365	8.7
82.04099	52.1
92.19395	1.1
123.08111	1.9
129.10370	0.9
141.09207	100.0
153.10338	1.5
154.55516	1.1
171.11301	2.0
195.12477	10.3
267.06897	1.0
313.21347	24.2
355.14020	1.0
355.17868	3.8
355.23505	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	355.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42834	2.1
55.04202	2.3
57.03436	5.2
58.02967	12.7
59.01378	21.0
59.56313	2.2
71.01365	17.3
73.02934	24.9
82.04091	54.3
83.04997	3.7
84.05669	4.7
85.02951	16.1
87.00879	4.1
88.12712	2.7
95.52777	3.1
101.02446	2.7
111.08141	4.1
112.05138	6.2
119.02068	2.8
121.06618	3.0
122.07246	20.7
124.05177	6.3
129.10323	33.2
135.08090	2.7
139.07611	16.3
141.10316	12.9
151.07697	2.9
155.11897	14.5
171.11313	3.0
171.12553	27.3
176.11952	5.8
188.11926	4.1
193.13368	4.1
195.12534	31.2
197.14151	4.6
201.12411	3.9
211.14577	6.3
237.13622	5.7
289.20267	3.8
313.21271	54.8
355.10208	19.5
355.14111	10.6
355.17978	2.9
355.18726	4.1
355.23529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1678
Annotation	Nb-Demethylalstogustine N-oxide
Peak:m/z	Relative Intensity
54.01134	1.5
57.68435	1.5
61.38373	1.4
78.95902	12.6
95.33235	1.4
109.79816	1.9
123.20724	1.7
136.04312	1.6
139.11253	2.2
149.00070	35.4
152.85907	1.5
180.40739	1.5
195.12787	1.7
205.15981	20.4
243.86897	1.7
355.16803	100.0
355.24634	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
53.36404	1.5
56.00846	1.6
63.85748	1.7
68.15987	1.6
69.42032	1.6
89.06958	1.7
89.91581	1.7
108.75649	2.1
114.77567	1.9
115.08831	1.6
122.03702	4.3
125.06726	2.0
135.04471	19.0
137.50610	2.1
157.42621	1.8
161.09709	10.9
163.11284	30.9
164.08426	10.5
169.07373	2.1
177.09206	49.0
178.09958	10.2
179.10779	90.7
191.10802	11.7
250.46144	2.0
280.14624	2.3
298.15707	34.4
309.22348	2.3
337.21738	56.4
340.20447	91.0
355.22791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69116	0.9
59.01391	1.6
62.38443	0.9
64.31328	0.9
71.01357	1.8
73.02941	22.2
78.86170	0.9
81.30862	1.0
83.05021	4.4
84.74378	1.0
85.02941	4.6
89.54507	1.0
93.03438	46.4
95.54273	1.0
99.00852	7.7
99.04494	5.9
101.02419	7.9
111.04485	27.2
113.02416	1.3
129.01944	1.8
137.02428	17.5
143.03459	5.6
155.03520	17.5
173.04535	100.0
176.48225	1.2
181.07196	12.4
355.12375	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89178	1.3
54.52130	1.4
56.76264	1.3
60.94514	1.5
68.64270	1.5
73.51476	1.4
76.67345	1.4
117.44424	1.8
122.29586	1.5
145.02934	5.8
160.81700	1.8
205.26299	1.6
221.69189	1.6
239.07054	3.3
246.87381	1.8
253.05000	2.0
253.08682	2.7
265.08868	1.7
266.05835	2.7
267.06604	62.9
268.07446	2.4
280.07431	3.0
281.08218	29.0
295.09717	27.1
296.10428	7.0
312.10251	1.8
325.06995	8.7
340.09500	62.2
355.11844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
69.72134	0.4
92.19948	0.6
94.10548	0.5
133.02931	0.5
134.03725	3.6
137.02423	0.7
161.02380	2.2
177.49762	0.5
178.02785	0.7
192.04295	1.0
193.05054	100.0
195.68625	0.5
247.66483	0.4
295.31622	0.5
355.10333	13.5
355.14285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15672	1.1
54.28823	1.1
55.87530	1.2
59.01374	24.6
64.33775	1.0
71.01369	15.5
73.02951	2.4
73.62959	1.2
78.12511	1.2
78.20950	1.2
85.02930	2.0
87.00860	8.3
87.57806	1.2
89.02428	16.4
95.01379	2.6
96.96006	6.3
98.95576	7.2
101.02416	18.7
105.03802	2.2
113.02418	11.3
119.03486	6.5
121.80083	1.2
131.03467	2.3
137.08292	1.0
161.04530	5.8
165.01871	1.7
165.05643	1.3
233.10271	7.6
267.09094	12.4
355.10699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
55.31567	0.6
57.57228	0.7
66.76048	0.9
80.65272	0.7
104.65714	0.8
119.76255	0.8
134.03726	71.3
137.02412	3.3
138.93179	1.0
149.06065	35.6
157.79993	0.8
178.02692	58.6
182.78381	0.8
185.02992	0.8
193.05049	100.0
203.80336	0.9
355.10239	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	355.1035
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
53.30139	0.6
59.01350	0.7
73.25231	0.6
86.11727	0.7
94.25398	0.6
107.14026	0.6
134.03728	100.0
137.02390	1.1
140.27087	0.6
149.04872	1.2
149.06062	42.6
178.02681	26.3
193.05048	85.2
355.10211	1.4
355.23453	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	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10267	0.9
59.01371	1.8
63.93384	0.8
71.01385	1.0
81.70757	0.9
85.02932	1.4
90.77403	0.9
91.27135	0.9
101.36042	0.9
102.44623	0.9
105.03432	1.9
121.02924	1.2
149.02420	41.3
149.77563	1.0
163.04048	1.3
191.03473	1.9
192.00642	20.5
193.01416	100.0
217.01396	2.1
235.02496	4.2
295.11868	1.6
320.29761	1.0
325.95731	1.0
355.06693	47.0
360.84763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82308	1.0
58.02970	4.6
59.01387	2.0
59.28100	1.1
68.19402	1.0
73.02948	2.9
74.76687	1.1
85.02924	1.4
101.02463	1.1
103.64931	1.1
117.35485	1.1
129.10318	2.7
137.02435	2.2
150.03224	37.3
153.01903	6.2
155.11909	6.4
165.05556	15.8
183.14763	1.1
185.99167	1.2
193.13454	1.3
194.02205	79.4
195.12604	1.5
209.04562	100.0
211.14517	1.3
224.10901	1.5
270.04395	1.4
276.13443	1.3
313.21341	7.4
333.69998	1.2
348.37372	1.2
351.23175	1.2
355.06378	2.0
355.10361	22.4
355.14145	3.7
355.23526	9.6
356.49399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38277	0.6
56.34499	0.6
59.01370	4.6
59.45476	0.7
60.85844	0.7
71.01358	1.6
73.02932	1.8
75.00855	10.8
96.23067	0.7
101.02407	9.9
102.84617	0.9
103.00352	15.1
103.09098	0.8
122.03725	3.0
137.02356	0.8
139.03986	1.4
145.01373	1.0
147.04497	1.3
149.02426	11.0
150.03214	3.8
151.04066	0.9
151.07578	2.3
165.01927	1.0
174.03201	0.9
175.03970	8.0
176.01091	5.5
177.01920	100.0
181.05057	4.3
189.95497	0.7
191.03497	25.2
193.05038	0.9
203.03494	3.5
205.04848	0.8
207.06602	5.1
209.04556	26.8
219.02928	6.6
229.01364	1.4
233.04517	1.8
234.46616	1.0
235.02443	5.1
251.05479	1.8
261.03989	3.3
263.01889	1.8
279.05017	1.0
293.06668	11.7
295.04489	1.4
323.04123	4.6
354.92807	0.8
355.06689	36.3
355.10229	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	354.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96210	2.6
59.01364	4.3
64.43478	3.1
75.07233	3.1
94.23589	2.7
99.92571	100.0
116.92843	3.0
156.37505	3.2
172.36656	3.1
246.79071	3.3
272.23080	4.5
354.15048	57.1
354.23334	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	354.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12864	1.7
50.76269	1.2
57.03446	3.4
59.01370	13.8
60.01730	1.6
61.98843	2.8
62.36059	1.3
66.58331	1.4
67.25012	1.4
69.03430	1.9
71.01389	2.4
72.00908	5.9
72.99297	52.2
85.02935	45.7
85.33883	1.6
86.73325	1.5
91.05506	6.2
96.95977	3.7
97.02913	7.0
112.04052	3.0
113.02434	40.8
113.72685	1.7
118.06603	18.0
124.10186	1.6
142.06606	2.5
144.08226	2.3
147.04495	36.3
160.15665	1.7
164.05769	3.6
164.07164	100.0
182.23804	1.7
184.71307	1.5
186.09221	3.5
187.98131	1.9
192.06598	3.3
195.02936	2.5
198.09291	7.2
216.10300	3.9
238.26131	2.0
260.09253	23.3
278.10355	17.1
292.11969	1.8
322.09314	3.0
354.12381	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	353.2334
Annotation	8-iso-PGF2beta
Peak:m/z	Relative Intensity
55.03435	1.0
57.03444	11.3
59.01373	6.5
69.03441	1.5
85.02934	37.9
99.08160	2.1
109.65438	1.2
113.09720	1.6
139.11284	2.9
149.09694	3.2
167.10760	48.6
183.12309	1.5
215.94763	1.4
244.94016	1.6
353.23343	100.0
376.04874	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	353.2334
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
57.03440	1.8
59.01368	2.7
64.09657	1.1
73.02930	1.5
83.04994	1.6
99.08138	1.6
106.30560	1.3
111.14901	1.3
118.87382	1.3
127.07621	2.1
129.09207	39.6
141.09200	13.8
147.08548	1.3
151.11298	1.5
155.10759	19.0
167.14418	2.0
191.14375	1.7
197.11810	7.7
210.68068	1.2
211.13394	30.2
223.13350	26.8
235.13376	5.1
273.22220	1.6
316.17770	1.5
317.21268	5.7
328.86948	1.3
335.22382	12.3
353.23334	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	353.2332
Annotation	Rhodomollein XVII
Peak:m/z	Relative Intensity
59.01368	8.1
66.76231	5.5
76.84821	4.8
81.84765	6.1
134.95729	5.3
181.63162	5.3
263.23993	6.3
291.23312	28.5
307.22879	30.6
326.48370	5.3
335.22256	20.5
346.06403	5.0
353.23349	100.0
366.55621	5.0
374.63947	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	353.2335
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
55.90034	0.8
57.03433	3.9
59.01381	7.1
60.02066	0.9
63.34871	1.1
63.36809	0.9
64.53336	1.0
69.03438	2.0
71.01370	5.2
78.87359	0.8
83.04999	1.4
85.02940	18.1
99.08135	2.3
113.09719	4.8
127.11261	2.1
139.11244	12.9
140.41431	0.9
149.09677	6.0
167.09386	2.2
167.10760	52.8
195.10289	1.7
197.11841	2.4
235.13406	1.2
353.23337	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	353.2334
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
53.84324	5.9
54.85861	5.6
57.03434	6.6
57.75758	7.4
59.01381	10.5
60.24681	5.7
71.01355	8.2
72.86431	7.4
73.78484	6.6
77.57913	6.1
80.87177	6.3
83.01358	14.4
92.19293	12.5
101.40873	6.1
127.00304	11.8
129.09198	30.2
133.92499	7.0
135.85663	6.6
136.53821	7.4
156.85843	6.8
164.93556	7.0
169.77121	6.9
170.00565	8.6
176.99336	8.0
177.09200	28.1
186.57672	6.8
191.14458	14.5
196.05531	7.2
211.13313	27.1
220.14684	14.4
221.15410	55.8
223.13327	6.9
235.13309	48.6
236.10564	49.6
353.13120	34.9
353.18033	37.1
353.23203	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	353.2335
Annotation	8-iso-13,14-dihydro-15-keto-PGF2alpha
Peak:m/z	Relative Intensity
50.78530	1.8
57.35908	2.0
59.01363	2.3
62.21420	1.9
66.82076	2.0
71.01360	2.2
86.90137	2.0
92.19389	3.3
99.08153	66.2
100.11102	2.1
101.06083	4.6
139.87634	2.0
150.53290	2.0
155.10741	5.0
178.30708	2.8
267.43967	2.0
269.90076	2.3
303.18967	2.2
335.22443	8.3
353.23370	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	353.2335
Annotation	8-iso-PGF2beta
Peak:m/z	Relative Intensity
54.17186	3.3
56.09496	3.7
57.03443	5.2
67.01572	3.7
73.32707	3.6
85.02949	15.2
120.19640	3.9
157.19623	4.4
160.90892	4.3
195.55099	3.9
197.11938	12.8
237.14894	14.6
279.35513	4.3
353.23392	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	353.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	8.3
59.38248	1.0
63.72074	0.9
77.32517	1.0
96.95996	6.5
202.17287	1.5
220.61653	1.1
222.64862	1.2
225.22250	2.5
253.21790	1.4
271.22794	100.0
291.19461	2.3
293.21167	2.2
353.19873	8.3
353.23615	21.9
369.15350	1.1
377.78384	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	353.2309
Annotation	3,3-Difluoro-5alpha-androstan-17beta-yl acetate
Peak:m/z	Relative Intensity
56.37463	9.1
59.01387	100.0
59.73482	9.1
82.57574	11.6
92.19445	12.4
122.36752	11.1
271.22827	72.9
320.46127	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	353.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78626	0.9
58.02969	1.4
59.01368	2.2
71.01379	6.5
82.04095	18.7
83.82403	1.1
100.11099	1.0
116.05714	1.0
118.14755	1.0
127.07661	2.4
129.02809	1.1
129.10333	4.9
139.07607	4.8
143.75493	1.0
157.08687	52.3
161.75977	1.1
171.12570	4.1
195.12469	1.5
196.14513	1.4
201.67982	1.0
203.33102	1.1
205.70206	1.1
262.56769	1.2
353.21960	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	353.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68728	1.3
55.26221	1.4
55.63427	1.3
58.02974	14.6
58.89500	1.2
64.04421	1.3
70.77254	1.2
71.05018	1.9
82.04095	24.7
90.76353	1.5
101.02450	1.9
112.07681	3.2
127.08710	1.5
129.10327	38.5
139.07642	6.1
141.10358	5.8
143.95096	1.5
155.11922	2.8
157.08702	33.7
171.12485	5.6
195.12498	7.7
197.16521	1.8
211.15968	1.4
240.24379	1.4
253.16635	2.0
267.20847	3.1
267.47369	1.6
311.19803	35.7
329.29733	1.6
346.52301	1.6
353.17484	3.6
353.21948	100.0
355.82452	1.5
374.15997	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	353.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10827	1.8
57.03437	3.2
58.02981	26.6
63.74682	1.8
69.62646	1.9
70.71594	2.2
70.77651	1.8
73.87627	2.1
77.48981	1.9
80.07410	1.8
81.07083	9.7
82.04101	11.7
87.22271	2.0
96.71781	2.1
112.07685	4.6
127.00391	2.8
127.08744	11.2
129.10332	51.5
130.73849	1.9
131.38533	2.1
154.09900	3.6
155.11908	19.6
157.08704	26.9
184.02094	2.3
189.47620	2.0
196.28297	2.0
267.20905	3.1
275.17538	3.5
311.19797	66.1
353.21924	100.0
359.03323	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	353.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37699	0.6
57.03446	3.4
58.02964	3.4
70.47934	0.7
82.04097	5.5
84.26940	0.7
91.00812	0.8
103.63463	0.7
108.05655	3.4
111.08131	1.3
112.05215	0.9
112.08775	1.5
125.09712	1.0
129.10320	16.4
139.07626	1.2
141.10336	3.7
154.09845	5.3
157.08655	5.0
165.10272	6.5
171.12520	1.2
176.11928	10.8
179.80013	0.6
194.12991	16.2
195.12440	0.8
201.57913	0.8
222.12505	1.3
247.19315	2.8
289.20395	6.3
307.21304	1.4
310.21225	5.5
335.21051	1.3
339.14456	0.9
353.21957	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	353.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01698	0.5
58.02973	1.2
59.01373	3.8
68.78040	0.5
71.01402	0.8
77.14107	0.6
77.68936	0.6
81.08228	0.5
82.04096	20.4
97.99571	0.6
111.08175	0.7
113.09695	0.8
127.07637	3.4
129.10321	7.9
139.07700	1.4
154.09889	0.8
157.08687	50.6
171.12473	1.4
189.00449	0.7
189.48904	0.6
195.12486	2.5
229.49541	0.6
232.00008	2.9
311.19678	3.0
345.93570	0.6
353.21951	100.0
362.27084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41303	1.5
52.51214	1.8
57.63107	1.7
58.02968	19.8
75.26536	2.0
82.04099	7.3
92.19962	2.5
98.36380	1.8
108.05639	3.6
112.05158	2.2
112.07648	3.6
125.09653	2.3
127.00403	2.0
129.10318	55.1
141.10318	8.1
154.09851	2.6
165.10353	3.2
169.08722	2.3
171.12497	12.0
176.11914	4.3
178.13487	35.6
194.13104	2.8
284.65179	2.0
310.21133	4.7
311.19797	29.5
353.10226	4.2
353.17572	3.5
353.21939	100.0
377.21198	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	353.1968
Annotation	Hexamidine
Peak:m/z	Relative Intensity
52.30317	2.5
54.23814	2.8
57.03449	22.3
57.48549	3.7
59.01380	19.5
69.03453	4.7
71.01362	25.2
83.01405	3.1
85.02943	37.6
89.55630	3.1
95.01379	7.4
96.99340	2.8
108.45049	3.3
112.01649	3.7
113.02438	35.7
137.09703	7.2
149.09720	4.4
165.12758	3.9
192.59061	3.3
209.15469	64.8
211.95091	3.4
353.12274	12.6
353.15826	5.5
353.19690	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	353.2123
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.73507	1.8
56.46992	2.1
67.58241	2.5
138.56314	2.3
163.11278	71.0
177.09193	75.3
220.95300	2.4
300.78799	2.6
341.19882	2.7
353.21231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18836	0.7
59.01379	100.0
66.96284	0.8
71.01353	0.8
74.20002	0.7
89.10389	0.7
89.38929	0.7
95.01410	0.9
101.02438	1.2
111.77021	0.7
116.97890	0.8
153.50261	0.7
161.04436	0.8
168.31480	0.8
208.15497	0.8
236.52383	0.8
242.20181	0.8
251.11707	1.1
290.61877	0.8
293.12497	5.0
353.14130	1.1
367.29642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29480	1.0
59.01376	100.0
87.00868	4.2
96.95994	68.4
104.43027	1.0
209.63998	1.0
243.13411	1.0
255.05032	4.9
295.53674	1.0
309.52667	1.1
314.47168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40460	1.1
51.62516	1.3
52.14654	1.3
59.01378	16.2
67.87782	1.2
71.01375	12.5
73.02932	20.3
83.05021	8.0
83.52820	1.4
85.02934	6.1
89.02429	17.3
93.02891	2.6
93.03445	48.0
99.00871	10.4
99.04498	6.8
101.02419	2.8
111.04498	27.3
113.02397	2.2
119.03470	2.8
129.01894	2.1
134.08899	1.2
137.02428	23.3
143.03484	5.6
143.17114	1.3
155.03519	17.3
161.04498	2.4
173.04539	100.0
179.05563	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	353.1028
Annotation	Glyceofuran
Peak:m/z	Relative Intensity
51.54463	1.5
58.02958	1.7
58.23910	1.4
59.09289	2.0
80.30067	1.6
81.56649	1.7
85.20457	2.1
129.10301	3.3
137.60622	1.6
147.04570	1.8
161.64423	2.1
238.10104	2.0
251.07100	26.2
262.06354	8.1
263.07092	23.2
264.07922	10.9
276.07584	1.8
279.06595	72.0
292.67792	1.8
293.08115	2.3
294.08856	12.1
295.06122	32.1
307.06125	16.6
310.08316	7.5
322.08350	14.7
323.05603	86.9
338.07986	33.5
342.54370	1.7
353.10284	100.0
353.21915	10.6
367.59637	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	353.1034
Annotation	Glyceofuran
Peak:m/z	Relative Intensity
52.05021	3.6
71.46912	3.7
71.47326	2.9
79.69097	3.2
81.55375	3.3
98.08495	3.3
100.85314	3.3
133.77998	3.4
138.60579	3.8
150.75166	3.6
191.89339	3.4
207.08124	5.0
251.07173	29.1
262.06381	7.0
263.07114	15.3
264.07874	6.8
279.06625	61.9
282.08948	4.4
294.08997	18.3
295.06027	32.2
307.05975	14.0
310.08633	4.1
322.08643	11.1
323.05646	95.9
338.08041	31.1
353.10291	100.0
353.15054	5.9
353.16086	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	353.0923
Annotation	Flumioxazin
Peak:m/z	Relative Intensity
50.34419	1.4
55.05878	1.5
57.45171	1.4
58.12850	1.5
58.99586	1.7
59.01361	9.1
62.74956	1.3
73.01164	24.3
79.05511	8.1
82.02953	1.8
92.19957	1.7
96.95967	1.8
101.00651	21.4
102.98574	12.1
105.00137	8.1
106.06600	2.2
107.97274	1.6
108.04530	14.6
113.04291	2.8
122.06091	2.7
123.04495	2.1
147.05600	3.3
148.07668	26.7
150.05510	2.6
161.07167	2.0
162.05626	18.5
164.07204	2.0
175.05075	2.6
182.06432	16.5
188.39848	1.7
189.06688	1.7
191.09372	1.9
192.06660	51.9
208.04292	3.1
226.05505	26.5
265.11319	6.6
270.04404	24.0
309.10294	34.3
328.49707	1.8
353.09271	100.0
353.13388	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	353.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54818	0.3
59.01369	2.2
71.43483	0.3
75.17053	0.5
78.42909	0.3
79.19262	0.4
96.95991	100.0
104.43430	0.4
123.04514	2.1
195.03032	0.6
195.75470	0.4
254.06149	0.4
255.05055	2.6
257.97833	0.4
353.01782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1035
Annotation	5-HYDROXY TRYPTOPHOL BETA-D-GLUCURONIDE
Peak:m/z	Relative Intensity
59.01375	47.2
60.23740	2.1
63.91346	2.4
71.01371	16.6
73.02928	38.6
83.01359	6.1
85.02944	3.3
87.00825	6.1
89.02424	2.9
92.05027	3.0
101.02404	21.9
104.98120	3.8
113.02462	3.2
118.05914	2.6
118.81541	2.4
120.04522	2.9
131.03465	3.1
132.04533	5.8
144.04517	13.8
146.02448	22.0
147.03250	95.4
148.03995	9.8
160.04019	49.5
172.04068	11.4
174.05576	5.0
185.04681	3.5
186.05510	5.3
202.05083	5.4
214.05133	10.9
216.52524	2.9
307.99808	3.2
315.24106	2.9
352.10321	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	351.2177
Annotation	Neorustmicin C
Peak:m/z	Relative Intensity
56.34171	3.9
59.01365	4.8
83.05029	7.0
84.37431	4.3
89.26633	4.3
96.95998	23.1
129.09190	5.1
153.12788	6.8
155.10771	5.8
178.10020	6.9
179.06883	30.0
185.06154	5.4
191.14394	20.7
235.13359	67.1
253.18092	19.2
333.20721	100.0
351.21747	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75626	1.8
54.27110	2.3
58.15965	2.5
59.01370	4.2
111.91367	2.2
127.43595	2.2
269.21100	14.2
286.50131	2.2
291.63687	2.2
303.47476	2.4
333.24353	100.0
351.21539	5.6
351.25424	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	351.2177
Annotation	Cinncassiol D4
Peak:m/z	Relative Intensity
52.53902	2.5
57.03425	3.6
59.01361	6.5
62.33356	3.8
64.77516	3.1
80.02657	5.1
83.05006	4.5
86.29144	2.9
89.98316	2.9
96.95982	7.4
99.08138	4.4
108.15924	3.2
127.07641	21.5
155.10678	4.1
169.73540	3.4
178.10019	7.4
191.14391	6.5
197.11707	4.9
197.85344	2.9
211.13412	15.2
223.13356	20.5
235.13394	63.3
289.21909	3.5
315.19464	14.4
333.20721	100.0
351.21884	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2177
Annotation	Cinncassiol D4
Peak:m/z	Relative Intensity
59.01381	15.4
71.01389	6.4
83.05012	4.3
83.12966	4.1
96.95972	9.6
109.06566	5.8
119.07883	4.0
127.07628	27.8
127.60384	3.9
139.07643	4.5
168.69914	4.9
178.10002	6.9
180.56163	3.5
182.55901	4.0
183.01141	4.1
191.14412	8.2
195.13805	5.2
211.13417	19.1
223.13405	23.0
235.13408	57.6
249.52718	4.0
315.19693	6.4
333.20731	89.8
351.18082	6.7
351.21820	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	351.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35546	19.1
52.53581	17.4
54.56014	18.3
55.27583	18.9
59.01385	19.6
110.03659	29.3
140.06499	23.4
198.09959	24.2
207.13814	22.6
233.11778	33.4
251.12807	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	351.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.0
58.02971	4.6
59.20761	1.0
65.01604	1.1
73.02942	2.6
82.04099	36.1
85.02946	11.5
85.66176	1.1
85.92181	1.0
97.04057	2.7
100.79452	1.1
108.05650	4.6
110.07230	1.6
111.00854	1.3
111.04497	8.0
112.08765	1.7
119.05025	1.5
124.05144	17.1
126.06739	8.3
145.02939	6.5
146.07268	1.8
154.09833	1.4
155.07176	1.8
162.10262	1.5
176.11917	74.7
179.13037	2.5
194.13010	32.8
221.14035	5.5
226.72934	1.1
227.08618	1.1
272.74271	1.2
351.20401	100.0
352.42029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.1
96.95994	2.5
98.82514	1.1
99.08163	2.4
105.35412	0.9
108.96696	1.0
155.10818	1.5
165.45251	0.9
183.13902	13.7
223.13208	1.6
235.13319	2.3
243.54709	1.0
251.20135	20.2
259.56787	1.2
269.21231	100.0
289.17886	6.4
291.19479	17.1
304.38803	1.4
315.25183	1.2
333.20807	4.8
335.18176	1.4
351.21545	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	351.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	2.6
59.01368	9.5
68.19351	2.0
68.92123	1.7
69.52022	1.7
71.01340	2.8
82.04099	100.0
87.41442	1.9
101.89460	2.1
112.22114	2.2
125.07171	10.6
126.05576	36.6
141.09200	36.0
143.08235	18.2
163.12376	3.8
164.10796	12.2
186.68350	2.2
206.12936	13.5
223.18196	2.9
224.14044	37.3
224.25946	2.1
242.24806	2.0
265.05450	2.1
265.19284	9.5
291.17065	2.6
333.19284	4.2
351.20416	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32602	1.9
58.02960	5.2
59.01383	4.0
60.77340	2.1
71.01350	3.4
82.04095	100.0
84.04509	2.4
98.06125	4.4
112.08798	8.6
125.07179	10.8
125.49747	2.3
126.05593	33.6
127.84882	2.3
141.09219	36.2
143.08240	16.7
153.09230	8.2
154.09836	11.4
164.10753	14.5
177.12834	2.4
181.50827	2.1
185.10434	2.0
194.12918	2.7
206.12994	14.4
223.18163	2.6
224.14078	38.9
239.33673	2.3
265.19244	11.3
291.17035	4.3
307.12183	2.5
309.18286	9.5
333.19415	9.4
340.46002	2.2
351.11020	6.3
351.14841	9.2
351.20404	94.0
374.98572	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	351.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62897	0.9
50.87336	0.9
54.42452	0.8
59.01377	100.0
63.90296	0.8
71.01363	1.6
85.02916	1.1
93.35795	1.3
101.02438	2.1
105.45155	1.0
108.51629	1.1
109.88181	0.9
113.41426	1.0
127.67786	1.0
146.04007	1.1
158.61302	1.0
193.14787	1.1
226.18369	1.0
291.18073	6.3
351.10916	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	351.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47073	2.1
58.02974	1.8
59.01388	3.3
65.03526	1.9
70.14763	2.2
74.41262	2.0
80.09457	2.1
82.04092	29.5
84.05479	2.1
86.53827	2.1
90.98595	2.1
108.05680	2.0
111.04510	4.1
119.05019	2.3
124.05145	4.8
126.06696	9.7
126.88231	2.2
154.09810	4.0
157.26733	2.5
163.03987	5.4
176.11900	67.4
179.13046	2.7
194.12999	26.9
208.08447	3.0
221.13902	2.6
256.92398	2.4
351.20361	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	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74550	0.4
59.01377	100.0
73.02970	0.4
85.02967	0.6
86.71693	0.5
111.00806	0.6
133.06960	0.5
137.76227	0.4
203.17957	0.5
213.12708	0.5
229.14294	0.6
289.67886	0.5
307.12216	0.5
351.10797	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80399	0.8
51.31784	0.8
53.33222	0.8
59.01379	100.0
59.93049	0.9
68.61565	0.8
71.13010	0.8
84.11347	0.9
110.44180	0.9
111.00859	1.0
117.97864	1.0
181.86575	1.0
298.93506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28605	2.3
52.46950	3.1
55.72609	2.9
55.77646	2.8
59.01381	100.0
66.80589	3.1
92.19949	4.8
94.34439	2.8
96.91199	3.1
118.99076	3.6
325.50589	3.8
329.66934	3.1
351.10745	4.7
351.18695	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18564	0.7
57.95890	0.6
59.01379	100.0
71.01378	2.9
85.02910	0.8
96.52700	0.7
101.02412	1.5
106.44054	0.8
163.01196	0.8
210.04956	0.8
218.48880	0.7
227.93121	0.8
320.09103	0.7
323.96536	0.8
351.20230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
68.21590	0.6
92.68930	0.7
93.87571	0.7
97.18160	0.7
111.18490	0.8
125.00982	0.8
156.41344	0.7
181.82727	0.7
193.37788	0.9
236.21039	0.8
346.58862	0.7
362.69614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1448
Annotation	Lambicin
Peak:m/z	Relative Intensity
52.10667	3.2
59.01367	4.0
66.50379	3.2
66.54814	3.6
67.16878	3.2
71.04993	4.6
72.99287	7.7
73.02932	5.3
87.00861	52.7
97.85439	3.5
99.22716	3.4
104.53025	3.6
107.04990	8.1
112.05305	3.9
113.02410	4.6
121.02929	28.2
122.03696	19.5
123.08146	4.3
130.99829	26.2
132.00641	4.4
134.03728	6.9
134.70985	4.4
135.04439	4.2
137.02464	5.3
138.60516	3.4
142.39131	3.4
142.94382	4.7
144.66960	3.4
147.04512	8.6
147.18686	3.4
148.05272	7.3
149.06064	7.4
159.04485	7.0
163.03954	3.5
163.11221	4.0
164.04797	4.6
177.12866	6.8
191.10713	13.3
207.17477	7.3
216.11569	8.5
217.16026	7.6
227.14384	5.3
233.11859	7.6
233.15373	4.9
235.17046	7.2
245.15355	25.7
254.04349	20.5
260.10464	17.0
262.23016	3.8
271.13422	4.5
277.14355	4.5
279.15839	5.9
307.15323	5.3
333.13385	5.1
351.10745	56.6
351.14517	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	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85410	1.5
59.01376	22.3
63.93927	1.2
71.01366	9.2
73.02936	1.9
74.93446	1.3
76.81540	1.6
87.00880	2.4
89.02444	10.5
90.53886	1.4
101.02437	11.5
108.25881	1.8
109.06585	2.6
113.02422	1.9
119.03532	1.5
127.07646	48.1
138.52780	1.4
143.07123	12.9
145.08688	3.0
171.06628	6.7
173.08165	3.3
185.08151	2.7
189.05980	2.3
189.07686	69.2
231.08804	3.3
233.93468	1.5
268.00922	1.4
351.12976	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35412	0.9
51.44234	0.9
53.43105	0.9
59.01371	21.6
62.20587	1.0
66.76007	1.0
69.64091	1.2
71.01361	11.0
81.21251	1.3
85.02965	1.1
87.00865	1.4
89.02432	12.0
92.19374	1.1
97.06550	1.9
101.02451	8.6
105.83537	1.2
109.06561	2.0
111.08147	1.4
113.02422	5.9
119.03454	2.2
123.08133	1.5
127.07635	73.4
134.36322	1.1
143.07133	13.7
145.08688	2.2
152.30859	1.1
171.06595	13.9
171.72240	1.0
173.08131	4.3
185.08188	5.9
189.07669	69.5
231.08611	5.4
351.06125	4.2
351.12943	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.9
61.74780	1.1
71.01386	8.0
71.73533	1.2
75.25551	1.0
85.02943	1.9
87.00816	1.6
89.02414	8.8
101.02435	8.1
104.64951	1.3
109.06569	1.5
113.02415	5.1
119.03457	2.3
123.08172	2.1
127.07631	50.6
138.51416	1.3
143.07147	13.3
145.08713	2.1
151.07693	1.8
171.06635	10.1
173.08109	3.8
185.08186	2.6
189.07692	60.2
195.06554	1.2
213.07590	1.4
231.08716	5.7
267.85559	1.1
351.12979	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	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68049	1.0
57.94307	1.2
59.01382	40.8
63.76408	1.2
64.78465	1.0
65.96559	1.2
71.01372	11.5
72.99291	1.6
73.02943	12.6
75.00854	1.6
83.01381	1.5
85.02922	2.2
87.00880	1.5
89.02440	11.7
90.95455	1.2
94.38879	1.1
96.95995	8.1
97.06544	1.5
101.02426	12.3
109.06571	2.6
110.15095	1.1
113.02425	6.4
119.03471	2.8
127.07638	38.0
129.05569	2.0
136.32976	1.2
136.52744	1.3
143.07175	8.4
145.08696	2.5
151.07639	1.4
171.06647	5.9
173.08202	2.5
185.08141	1.6
189.00668	2.9
189.07684	54.9
231.08746	1.5
333.04974	3.0
336.54495	1.4
351.12991	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	351.1085
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
51.50333	1.0
67.18852	1.0
68.15777	1.2
87.00865	23.2
93.37722	1.5
93.48838	1.5
95.04954	1.2
97.06573	28.3
107.05019	14.9
111.04497	6.5
112.05282	16.0
121.02930	54.7
122.03721	18.6
130.99850	2.6
132.00638	2.0
135.04543	1.6
137.02393	1.9
139.63002	1.2
147.04524	21.0
148.05287	9.2
163.03996	8.1
164.04739	2.0
165.05484	1.7
191.03535	14.1
194.02271	1.7
201.09181	8.1
219.10271	5.4
245.11760	5.5
254.04358	5.3
261.11453	1.3
289.10938	2.4
291.08780	12.4
351.10849	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	351.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63642	2.6
58.90382	2.8
59.01372	7.2
59.57840	2.6
66.56809	2.7
79.30396	3.2
87.00862	100.0
87.01353	5.9
89.52022	2.7
91.57289	3.3
107.04981	2.9
122.03711	14.3
130.99852	72.8
132.00610	24.9
135.04501	6.2
136.55609	2.9
151.30080	3.0
201.09216	3.9
212.57996	3.4
234.76579	3.9
254.04343	68.7
261.12518	3.4
267.75427	3.5
351.10901	27.9
351.21698	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	351.1085
Annotation	methyl 4-O-coumaroylquinate
Peak:m/z	Relative Intensity
59.01377	4.3
64.06921	4.1
78.90614	3.3
80.87164	2.8
85.77317	3.1
86.43439	3.8
87.00867	68.1
97.06569	4.0
107.05006	18.0
112.05248	6.0
121.02942	27.8
122.03709	26.3
130.99863	34.3
132.00604	12.6
134.03751	5.6
147.04495	20.3
147.47992	3.1
148.05292	17.2
163.04002	7.0
164.04810	5.7
191.03517	5.6
191.10812	27.2
192.04358	5.3
201.09320	4.8
219.10144	6.3
254.04312	25.1
351.10855	100.0
351.14767	7.5
351.21777	5.3
356.94781	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	351.1084
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
50.04494	2.4
54.17890	1.9
55.93291	2.4
59.01367	2.9
59.31678	2.2
68.61258	2.5
85.42177	2.1
87.00860	79.9
88.59577	2.2
92.19347	3.2
97.06579	5.2
107.05010	15.8
112.78205	2.3
121.02904	25.9
121.16711	2.0
122.03724	36.5
130.99850	44.1
132.00624	15.0
134.03705	14.7
137.02422	4.4
139.03941	3.7
147.04501	18.8
148.05309	16.7
149.02419	3.3
163.03987	13.2
164.04807	9.5
191.10768	26.7
192.04202	4.7
201.09164	2.4
219.10271	12.2
254.04260	46.0
264.18567	2.6
270.67111	2.4
276.75040	2.6
291.08875	2.8
320.10645	2.4
321.68170	2.8
351.10870	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	351.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.0
71.01361	0.8
79.95711	0.9
81.36811	0.9
92.19937	1.2
96.95995	89.2
109.02917	1.3
122.03714	3.8
123.04509	34.9
147.04529	4.0
164.07173	3.8
165.05550	100.0
172.71487	0.9
188.88690	0.8
189.00757	1.6
253.03520	5.4
351.00861	1.6
351.13110	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	351.06
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	0.3
59.01377	8.5
70.03912	0.3
71.01373	5.5
75.00844	0.3
81.04575	0.5
82.02950	0.3
83.01373	0.3
83.02491	0.4
85.02941	0.4
86.28536	0.3
87.00891	1.1
89.02429	4.3
95.01378	0.4
95.02509	0.6
101.02420	1.7
108.00886	6.2
109.04057	16.9
113.02421	1.5
119.03499	1.2
121.02834	0.3
127.00668	14.8
135.01993	18.8
143.00177	7.7
143.03491	0.3
145.01724	2.3
161.04478	0.4
165.75529	0.3
170.99655	15.7
172.84598	0.3
189.00702	6.0
193.08359	0.3
200.96838	0.3
257.35452	0.3
333.04962	0.5
351.06006	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	351.06
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14215	1.5
54.45039	1.6
57.03454	3.3
57.08845	1.6
59.01387	19.4
62.06691	1.7
71.01372	10.3
73.02932	8.1
75.33606	1.9
78.95886	12.7
85.02916	4.3
87.00864	7.5
89.02454	4.2
96.96014	19.7
96.96944	25.9
101.02436	9.0
108.00900	9.3
109.04033	20.9
113.02425	3.8
119.03459	2.3
120.74841	1.8
127.00658	16.9
128.06995	2.0
135.01990	21.3
143.00198	3.5
170.99657	11.8
189.00696	9.7
229.89626	1.9
351.06033	100.0
351.12720	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	351.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.1
66.21643	0.5
71.01363	1.1
89.02428	2.2
90.74753	0.7
96.96001	10.3
101.02445	1.3
108.00888	0.6
109.04066	1.3
109.06512	0.9
122.03726	3.3
123.04501	35.4
127.00736	0.6
127.07643	7.8
135.02046	1.3
143.07120	2.4
145.02924	4.0
146.03796	1.1
147.04514	6.4
150.03148	0.6
165.05545	100.0
170.99628	1.1
171.06557	1.2
189.07692	10.7
210.90326	0.7
253.03528	21.4
351.01642	1.2
351.06055	9.4
351.12900	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	351.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
62.76634	0.3
71.01361	0.3
73.02911	0.4
79.95700	0.4
85.02931	1.9
87.00848	0.5
96.95991	100.0
101.02438	0.6
109.02917	2.7
111.00873	0.6
113.02361	0.4
123.04507	3.9
147.04436	0.6
147.72775	0.4
164.07173	0.6
165.05551	11.4
171.62488	0.4
196.71107	0.4
215.35112	0.4
253.03493	0.5
291.10742	0.4
321.37436	0.4
351.00409	1.3
351.12985	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	350.9423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	67.4
61.12351	10.4
77.70251	10.1
94.18110	11.2
162.20335	13.0
164.94090	60.4
176.98068	18.0
193.43178	13.1
201.02553	12.5
208.93100	100.0
227.85034	10.7
252.83531	13.8
341.63766	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	350.944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87436	14.0
59.01365	29.2
66.81866	18.6
80.33142	18.2
87.95338	17.4
123.94325	18.4
186.85616	20.6
195.75449	16.8
208.93205	20.3
226.93150	100.0
280.50436	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	350.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44384	0.6
54.68488	0.6
58.04087	1.0
59.01392	0.7
59.23363	0.6
59.90580	0.6
67.42136	0.7
71.01365	3.2
78.95894	34.1
82.06864	0.8
85.41460	0.7
96.96024	16.0
96.96945	100.0
97.02943	4.4
125.06107	6.9
127.92959	0.7
143.93156	0.8
166.08705	1.0
208.10881	5.9
226.67076	0.7
252.09889	17.5
279.14911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2748
Annotation	13E-Labdene-8alpha,15-diol 15-acetate
Peak:m/z	Relative Intensity
50.56613	6.7
56.26020	7.5
56.58631	7.0
71.62582	7.8
91.18040	9.1
112.89334	9.9
114.27872	8.6
143.64183	8.1
205.46588	8.5
253.99667	7.8
331.26489	15.4
349.27560	100.0
369.75204	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	350.066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71908	0.4
59.01370	0.8
66.32726	0.4
71.01369	0.5
78.95886	5.3
79.95746	0.7
96.95990	100.0
96.96911	16.8
98.63909	0.4
125.06096	0.6
170.08174	0.6
208.10959	0.6
221.23535	0.6
252.09943	2.6
343.66803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43402	0.4
56.21487	0.5
59.01394	0.5
59.40778	0.5
59.75140	0.5
60.78519	0.5
65.61379	0.5
71.01367	1.0
71.79019	0.6
78.95890	6.2
79.73428	0.6
79.95757	1.1
89.02448	0.6
95.60180	0.6
96.95999	100.0
96.96918	15.3
100.94088	0.6
114.59032	0.6
121.36176	0.6
252.09851	2.7
258.21463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41055	0.7
58.33489	0.7
59.01378	100.0
61.21020	0.7
63.19456	0.8
71.01366	3.6
73.02914	0.8
85.02928	1.6
101.02436	2.9
157.99728	0.8
173.04507	0.9
269.44696	0.9
289.16583	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	349.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	9.8
77.95707	0.7
84.47078	0.6
86.52794	0.7
92.19447	0.8
99.08135	1.5
165.12822	4.1
193.05061	0.7
267.19650	100.0
289.17874	44.1
305.24872	1.4
312.06201	0.9
349.19885	11.2
349.24020	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	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34201	0.7
58.70288	0.5
59.01375	100.0
62.73539	0.8
66.46185	0.6
68.34573	0.6
71.01364	3.0
83.12162	0.6
83.53326	0.6
85.02937	0.7
89.02454	1.0
100.31744	0.7
101.02411	2.7
157.64374	0.7
207.43002	0.8
219.10504	0.7
244.73322	0.8
289.16464	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	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09681	1.7
56.69380	1.9
59.01380	100.0
71.01357	2.7
85.02935	2.9
92.65803	2.1
96.85046	2.0
125.46955	2.3
163.90544	2.3
215.58969	1.9
252.19133	2.5
289.16583	3.6
362.51077	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	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23216	1.0
55.66261	1.0
56.29610	1.0
59.01376	100.0
60.27473	1.0
77.61309	1.1
89.02402	2.9
179.05757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44065	0.9
53.73440	1.0
59.01376	100.0
70.04984	1.0
78.20232	1.0
79.45934	1.1
100.20229	1.2
125.58332	1.1
132.37820	1.2
143.89516	1.1
267.44952	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	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14481	0.9
57.29929	0.9
59.01374	100.0
69.94719	0.8
71.01385	7.1
73.02916	5.7
83.01399	1.0
85.02930	7.6
87.39553	1.0
88.42522	0.9
89.02420	1.2
101.02442	9.3
113.02420	5.0
115.71525	1.0
151.63454	1.0
186.45087	1.0
239.42796	1.0
267.35370	1.1
307.17551	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	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27965	1.2
55.39650	1.3
57.03426	1.9
59.01378	69.0
71.01373	34.8
72.99304	1.8
73.02953	6.5
80.96528	2.0
83.01383	2.4
85.02944	10.2
87.00887	1.7
89.02424	44.6
101.02414	28.8
107.08656	79.9
113.02436	21.1
119.03493	13.6
120.99641	2.4
129.01962	2.1
143.03455	1.7
169.08707	3.0
179.05688	2.5
187.09805	1.7
205.57056	1.5
253.25786	1.6
297.68350	2.1
331.17786	2.9
349.15073	100.0
349.18793	17.3
365.16302	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31941	1.4
53.70879	1.4
59.01377	88.9
65.15139	1.8
66.21522	1.6
71.01366	22.4
72.99300	3.7
73.02933	15.5
83.01369	7.3
85.02946	7.9
87.00895	2.4
89.02425	20.3
99.08123	1.8
101.02419	25.5
102.98576	26.7
113.02439	12.0
119.03482	3.2
127.07634	10.0
138.05614	2.8
145.08688	37.8
289.12909	13.2
307.13980	62.4
307.17331	3.3
312.01379	1.8
331.12988	2.1
332.01572	2.3
349.14999	100.0
349.19067	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	349.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68193	0.8
51.11647	0.9
58.99596	6.5
59.01370	2.1
59.59983	0.9
83.18562	1.2
87.00849	5.0
102.98589	13.4
119.65860	1.0
155.10779	2.1
167.10756	12.2
185.11810	67.4
201.09567	16.1
219.10593	100.0
245.12160	2.3
263.62564	1.2
289.11133	10.7
307.12216	18.4
349.13229	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44065	0.9
53.73440	1.0
59.01376	100.0
70.04984	1.0
78.20232	1.0
79.45934	1.1
100.20229	1.2
125.58332	1.1
132.37820	1.2
143.89516	1.1
267.44952	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	349.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66224	1.4
51.58805	1.3
58.99593	3.8
59.01375	7.3
87.00835	3.0
87.04733	1.7
88.97822	1.5
102.98577	15.6
109.64988	1.8
121.02925	1.6
126.58238	1.9
129.13312	1.7
144.27037	1.6
144.81931	1.7
145.02965	8.3
155.10658	1.9
167.10730	14.8
169.31076	1.6
183.10353	1.9
185.11832	68.2
201.09581	12.4
203.81519	1.6
219.10603	100.0
245.12044	2.2
268.11740	1.5
289.11130	10.3
307.12268	17.6
314.22150	1.6
333.16846	1.6
349.09192	7.1
349.13223	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	349.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99601	9.6
59.01366	1.7
71.01360	1.4
84.81136	1.1
87.00855	4.8
97.06573	7.8
102.98587	17.6
107.05002	2.0
107.53797	1.2
112.97295	1.3
117.03465	2.0
121.02917	18.4
122.03705	6.2
131.04956	1.4
145.02936	62.8
146.03720	7.5
148.75664	1.1
155.10736	2.7
163.04028	6.9
164.04730	2.9
167.10728	17.0
171.08315	2.4
185.11812	75.1
201.09532	20.5
204.55870	1.2
219.10585	100.0
243.10275	23.7
245.12166	3.0
261.11469	1.9
289.11047	10.0
307.12231	21.7
331.08405	9.5
349.09198	24.0
349.13242	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99593	11.0
59.01376	5.9
67.45441	0.7
74.99067	1.4
78.66278	0.6
81.29544	0.7
82.02978	0.9
88.93913	0.7
89.02424	1.2
91.36330	0.7
93.63079	0.7
94.46782	0.7
102.98581	100.0
103.76659	0.7
104.98195	0.8
107.77422	0.9
120.99612	5.9
122.23730	0.8
138.05556	0.9
141.09189	1.2
163.00684	12.3
164.03517	3.9
190.08742	4.4
191.04591	3.5
196.83090	0.8
217.06190	1.0
218.11888	6.5
233.09303	15.8
239.70807	0.8
244.04868	1.2
244.09839	1.3
245.09256	4.7
259.07254	5.3
261.12411	3.4
271.07178	1.1
277.08060	1.0
287.10370	5.9
321.68689	0.8
331.09253	3.3
349.10370	17.2
349.14365	2.1
349.18713	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	349.104
Annotation	Cystothiazole E
Peak:m/z	Relative Intensity
50.12262	1.3
55.47139	1.2
59.01369	7.8
60.97478	1.2
68.50053	1.2
71.01378	1.3
72.99286	17.4
82.69225	1.6
110.06090	7.7
120.04533	2.1
122.06102	7.4
138.05611	6.4
148.04048	9.7
166.05135	5.7
184.78912	1.4
188.07159	17.8
214.08727	20.9
217.09810	2.6
226.08746	2.0
242.06915	14.0
243.11313	1.5
254.06856	2.3
257.09314	100.0
269.09323	18.1
275.10410	9.1
287.10474	14.8
313.08466	2.3
331.09393	22.1
337.01431	1.5
349.10425	44.1
349.14658	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	349.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18257	1.1
59.01375	16.5
63.54975	1.3
66.03483	1.9
66.43125	1.4
71.01386	2.1
72.99294	17.1
73.02930	3.0
75.49479	1.2
78.00088	1.2
86.02477	1.5
87.00883	1.7
89.02422	2.8
96.99431	1.5
101.02440	2.6
110.06081	8.2
113.02362	2.0
122.06089	7.5
126.74005	1.4
138.05630	2.2
148.03987	6.6
166.05060	8.7
188.07210	16.3
189.67238	1.4
214.08730	19.3
242.06749	13.5
243.11296	2.6
254.06921	1.8
257.09305	100.0
259.10596	1.5
269.09332	15.1
275.10379	13.0
287.10355	11.6
307.13812	1.5
313.08240	1.6
331.09375	22.9
338.64554	1.3
349.10486	35.9
349.14969	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	349.0927
Annotation	CHEBI:90270
Peak:m/z	Relative Intensity
57.03423	5.8
59.01377	100.0
59.85253	1.5
71.01387	3.3
73.02933	1.9
73.15841	1.4
79.74249	1.5
85.02943	2.2
87.00859	50.3
89.02436	9.6
101.02434	5.3
104.64448	1.6
105.73338	1.5
111.00884	2.3
111.02402	1.7
113.02448	2.5
125.99467	1.9
149.06052	2.1
151.07666	3.4
173.06068	7.1
174.03212	15.0
174.06918	2.8
175.07689	14.6
187.07657	12.1
188.04767	9.3
189.09184	2.5
191.10733	1.9
199.07608	3.4
201.05557	22.3
201.09116	1.9
202.06335	28.1
203.07146	47.0
205.08748	1.7
214.06374	2.3
215.10699	3.2
217.08701	14.9
219.10324	2.7
222.71127	1.8
223.09741	3.5
227.07350	2.3
230.05737	1.6
231.46529	1.9
241.08736	3.3
243.10338	10.6
258.05521	1.9
259.09723	8.0
287.09250	3.6
313.07004	2.9
325.98630	1.6
331.08228	10.5
349.09302	73.9
349.13367	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	349.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.2
62.50700	2.4
100.24164	2.2
101.02433	2.2
137.32048	2.4
138.05592	9.3
164.03503	19.8
174.08888	2.2
190.08746	16.9
191.04607	29.0
202.08698	3.1
217.06178	3.5
218.11838	52.4
231.07770	3.2
233.09297	89.9
244.04805	12.0
244.09793	5.1
245.09312	15.3
259.07205	31.9
261.12408	21.8
271.07166	25.2
277.08194	3.8
287.10367	41.4
305.11432	3.2
305.20853	2.3
331.09396	36.2
349.10403	100.0
349.14441	4.7
349.18945	3.5
365.62173	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	347.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23561	0.4
51.68801	0.5
58.59306	0.5
69.03460	0.6
74.65504	0.5
92.47062	0.5
126.66946	0.6
133.36469	0.6
140.88731	0.5
146.17963	0.7
147.04451	1.0
158.03738	6.6
159.04512	0.9
159.06606	0.7
162.03203	1.1
165.56009	0.6
172.03854	1.0
172.05290	16.5
173.06003	0.9
175.03932	0.8
176.04816	1.0
186.06865	0.6
199.08952	0.5
205.12321	2.3
215.10782	100.0
218.09488	6.2
233.11824	79.0
244.02158	0.7
287.10403	0.9
319.20334	2.5
347.19913	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	347.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08901	5.1
59.01374	5.1
61.49733	4.7
73.13251	5.9
105.05619	5.3
139.17952	6.5
182.66620	5.9
244.96045	6.0
265.21725	100.0
278.23651	5.6
347.21985	36.5
358.32932	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	347.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24451	0.5
59.01366	1.6
62.93204	0.6
73.38326	0.6
77.09750	0.6
80.63566	0.6
87.40678	0.6
97.09427	0.6
102.78740	0.6
108.02195	1.0
134.03748	0.7
148.05264	1.6
152.01114	1.6
162.06807	1.6
167.03519	5.4
175.07591	0.7
176.04794	1.1
205.12326	36.9
215.10822	0.9
218.08186	2.4
219.12750	1.1
233.11803	1.3
261.12439	7.9
262.13245	17.6
277.19113	4.9
290.12891	5.6
294.12198	7.1
319.20285	57.2
329.18747	2.8
347.19772	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	347.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80535	0.4
52.04520	0.5
59.01384	0.6
61.65870	0.6
75.20139	0.6
108.68254	0.6
142.51369	0.6
147.22789	0.6
148.05344	2.8
162.06784	1.2
205.12326	36.8
215.10783	1.1
218.08200	3.1
219.12730	0.7
233.11786	1.3
235.88492	0.7
261.12411	8.6
262.13229	20.4
275.14178	0.6
277.19232	6.2
287.92883	0.6
290.12625	5.3
294.12131	5.7
303.19568	0.6
317.17487	5.5
319.20273	58.6
329.18625	1.4
347.19748	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	347.1867
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
52.13192	12.9
59.20209	14.1
69.95155	16.5
73.30627	15.1
78.75513	16.4
94.41751	15.2
100.05931	20.3
128.11780	15.5
216.06238	18.9
245.06250	18.3
269.15500	25.6
315.19699	62.0
347.18631	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	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90565	1.0
57.18344	1.0
59.01378	100.0
61.62372	1.1
63.83556	1.1
71.01362	4.9
73.02935	5.1
83.01359	1.5
84.37424	1.1
85.02915	1.8
101.02402	5.8
113.02369	1.8
113.04284	1.7
114.61675	1.1
148.20634	1.2
149.43704	1.2
155.42072	1.1
207.66801	1.2
287.10342	1.4
303.20911	2.5
347.11420	8.9
347.20706	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	347.1721
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
58.02964	2.2
58.76604	1.6
59.01380	11.4
63.42955	1.4
69.03466	1.5
71.01398	2.9
73.02946	1.7
80.96523	2.4
85.02953	2.8
94.04091	8.0
96.95934	1.6
105.07080	3.2
112.93728	2.9
120.99633	2.3
121.06564	10.2
121.07429	1.5
125.07143	2.7
125.59771	1.4
127.08768	2.9
129.10376	1.9
148.07671	21.0
154.09821	2.1
165.11455	28.1
173.07158	13.2
192.06601	2.7
207.10542	3.1
207.12512	83.1
217.06236	10.8
219.14999	11.3
261.16129	9.5
285.17194	3.1
287.14859	2.7
303.18127	7.8
305.15018	7.5
329.16116	2.0
347.13443	6.3
347.17230	100.0
368.89270	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27093	0.7
59.01374	100.0
71.01373	6.3
73.02916	4.0
85.02928	1.3
87.40002	0.9
89.02419	8.1
91.66866	0.8
101.02393	5.8
113.02396	3.8
119.03473	0.9
140.36705	0.9
141.12555	0.8
199.43648	0.7
253.43274	0.9
305.15942	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.61314	1.3
55.91578	1.3
59.01378	42.8
67.04102	1.3
71.01369	17.9
72.99258	1.4
75.08074	1.7
83.01398	1.6
85.02908	2.6
89.02432	20.0
96.42834	2.2
96.65046	1.7
97.88111	1.5
101.02430	14.2
112.35847	1.5
113.02400	7.3
119.03458	3.9
123.11761	2.8
139.11266	2.3
141.92990	1.5
143.10773	2.5
167.10762	66.8
185.11835	20.5
199.13399	1.8
202.02371	1.8
240.21889	1.8
273.18469	8.0
281.02554	1.6
285.18784	2.1
303.14230	1.9
303.19547	9.1
347.17081	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35130	1.1
59.01379	100.0
60.06758	0.9
65.22369	1.0
66.64275	1.1
66.96199	0.9
69.33007	1.0
71.01377	9.8
73.02898	1.3
85.02961	4.0
87.13924	0.9
101.02417	6.0
109.03915	1.1
113.02432	2.3
118.29264	1.0
138.75040	1.0
143.10754	1.8
161.04512	1.8
300.18317	1.2
305.16086	6.3
347.17130	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.75492	0.7
66.16528	0.8
66.38480	0.8
71.01374	3.6
72.57030	0.8
87.00861	2.2
89.02428	5.4
92.19303	2.7
101.02438	1.4
113.02414	1.5
119.03494	1.1
145.28795	0.9
146.74571	0.8
153.12761	1.4
160.27278	0.9
215.07149	6.7
231.15411	1.0
241.08681	1.0
243.12280	1.6
261.13345	1.0
347.07666	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	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
56.07906	0.9
59.01085	1.9
59.01377	43.6
67.48258	0.9
71.01370	19.6
73.02933	2.4
84.04520	1.4
85.02927	7.0
87.00858	1.5
87.32916	1.0
89.02424	20.9
90.84558	1.1
90.89145	1.0
101.02426	19.9
113.02422	9.2
119.03452	6.7
128.03529	1.7
129.01880	1.1
131.03752	2.1
138.03209	1.9
145.21208	1.0
148.33943	1.1
158.06058	6.7
166.02654	1.3
173.52066	1.2
175.08798	4.3
185.11818	29.9
190.31769	1.1
216.89561	1.1
231.44646	1.1
237.08333	1.3
259.07040	2.1
259.10745	1.3
287.06497	2.2
287.10294	9.3
305.11566	5.3
317.10318	2.6
321.18427	1.3
347.08203	2.4
347.12454	7.9
347.17087	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	347.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62225	1.4
58.32264	1.3
59.01380	43.0
60.79961	1.5
66.03889	1.5
71.01375	13.3
72.87750	1.5
72.99316	1.7
73.02950	7.8
78.95898	2.5
84.04559	1.7
85.02949	3.9
89.02422	18.2
101.02453	7.2
113.02448	3.5
119.44701	1.6
120.99702	2.8
125.06116	2.1
125.09701	34.0
128.98737	1.6
141.09250	1.9
153.09198	18.4
171.10269	71.3
197.08252	4.0
215.09216	22.6
215.10966	1.7
273.06818	1.6
287.10654	2.3
347.13550	100.0
347.20142	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	347.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05524	1.2
58.97347	1.2
59.01376	100.0
60.59924	1.4
65.76003	1.3
71.01369	8.9
73.02944	2.9
80.13340	1.4
85.02942	5.4
89.02470	2.3
101.02405	5.9
108.83230	1.4
113.02449	2.5
114.30209	1.5
161.04517	1.6
173.48335	1.4
227.12923	1.8
243.12296	6.4
261.13306	2.2
287.15253	1.8
303.14481	3.2
305.15930	8.9
305.19214	2.1
347.11871	2.3
347.17178	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	347.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42484	2.5
59.01380	100.0
67.32402	2.4
71.01353	4.0
74.02438	4.0
77.32983	2.5
77.91717	2.5
85.02920	4.1
92.19895	2.7
101.02419	6.2
101.43025	2.8
101.68430	3.0
113.02528	3.3
114.05566	3.5
139.11293	24.1
153.12827	4.9
163.11264	4.0
181.12306	16.5
183.10272	17.4
199.13412	34.2
201.11330	45.1
203.08264	17.3
217.10855	3.2
243.12390	37.3
245.09250	3.7
261.13327	26.9
303.14474	64.1
333.65308	2.8
347.11942	11.0
347.17264	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	347.1348
Annotation	Angeloside
Peak:m/z	Relative Intensity
52.38549	2.3
59.01382	96.6
67.23196	2.4
67.25092	2.3
69.00658	2.3
69.03447	4.2
71.01373	30.8
73.02524	4.0
73.02940	100.0
81.07091	10.5
82.02967	3.8
82.76692	2.3
83.01376	18.0
84.04536	15.4
85.02952	3.7
89.02427	5.1
89.39461	2.5
94.94949	2.6
99.00868	3.3
101.02438	54.8
113.02421	12.6
128.03494	4.1
131.03720	14.7
158.06108	25.5
161.04495	3.5
175.08719	6.3
185.69240	2.8
187.83943	2.7
259.10800	10.0
287.10330	21.4
305.11514	4.3
347.13507	99.8
347.17538	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	347.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97789	2.8
59.01379	50.3
69.96530	2.7
71.01368	7.6
89.02444	4.7
101.02441	13.1
102.98621	3.9
113.02452	4.6
140.46657	3.5
153.12836	100.0
154.62001	3.4
163.11293	15.1
165.89369	3.1
169.12312	13.3
181.12363	42.3
197.11789	5.0
199.13443	49.9
215.12910	7.4
221.42024	3.3
225.11285	8.1
227.81506	3.3
236.44498	3.8
243.12395	79.6
261.13406	47.7
271.16891	4.5
299.16547	6.3
303.14420	91.7
347.17157	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.2
59.01374	41.3
71.01375	2.4
73.02964	4.3
82.02966	9.7
84.04537	41.9
85.02921	5.8
92.05042	3.0
100.04032	12.0
101.02409	5.7
120.99653	2.5
128.03517	31.2
129.01904	15.6
131.03749	55.1
141.62303	2.7
142.06581	3.2
144.04553	3.8
158.06100	100.0
175.08751	28.8
225.10327	3.5
241.09886	4.6
243.11420	4.5
259.10794	33.3
269.09256	15.5
275.07910	2.6
278.19885	2.8
287.10339	80.6
287.15009	5.3
305.11426	29.6
305.15799	3.1
319.18002	2.6
329.11523	5.3
347.12357	47.0
347.17355	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	347.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	83.5
67.90083	2.8
70.02965	4.3
71.01363	18.5
71.01714	2.9
72.66553	2.8
73.02932	18.8
82.02954	5.0
83.01393	3.0
84.04533	43.3
85.02941	22.9
87.00884	3.6
89.02439	11.9
92.21918	2.9
97.87581	3.1
100.04012	3.8
101.02425	25.1
113.02423	15.3
116.05032	4.9
118.31350	2.8
125.06056	4.9
126.05567	2.9
128.03499	16.2
129.01945	29.4
131.03746	51.1
140.05022	11.5
142.06625	16.4
143.07155	3.8
157.07727	5.5
158.06087	71.4
175.08733	23.0
182.09833	3.2
207.09201	6.4
225.10266	18.7
241.09825	17.9
243.11450	4.9
259.10901	20.4
261.13458	4.8
269.09351	39.1
287.10385	100.0
305.11404	26.5
329.11288	30.6
347.12924	60.7
347.17178	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	347.1168
Annotation	Compound VII
Peak:m/z	Relative Intensity
59.01366	1.3
71.64789	1.2
83.44389	1.3
87.00861	7.8
102.98581	5.3
119.08651	3.0
120.99641	43.4
131.12216	1.5
145.10291	11.0
163.07637	1.9
163.11232	2.1
208.08138	1.6
225.11328	23.9
259.10190	11.5
347.11728	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	347.1137
Annotation	CHEBI:67555
Peak:m/z	Relative Intensity
50.21979	0.6
59.01384	5.7
61.33574	0.6
65.45279	0.7
87.00911	0.7
103.71912	0.8
117.03385	0.8
121.02959	1.7
122.03725	15.0
123.04459	1.5
124.01633	3.9
134.03722	7.6
135.04469	1.7
136.01634	10.2
136.05287	1.9
137.02455	5.6
149.06033	1.1
151.04004	1.1
152.04800	4.4
165.05475	0.9
166.02676	24.3
178.02686	23.5
179.03470	19.9
180.04274	6.7
181.01416	6.1
192.04155	0.9
193.05029	7.7
195.03018	6.9
196.03761	14.6
198.01663	9.1
209.04559	1.6
210.05365	1.3
212.03314	1.6
228.02728	5.8
244.01704	0.8
255.06560	8.5
258.08929	3.6
270.09027	9.5
273.11319	1.9
278.74268	0.9
285.07950	1.3
285.11246	1.2
299.05618	1.9
301.07486	3.1
302.07800	1.0
314.07886	4.3
317.10391	5.4
329.10327	7.2
347.11368	100.0
347.16779	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62861	1.2
52.65886	1.2
58.02472	1.0
71.47685	1.3
73.02931	21.5
80.07478	1.5
83.04996	6.6
83.39108	1.2
83.85495	1.3
85.02923	2.2
92.19925	2.5
93.03440	52.6
99.00848	8.6
99.04527	5.7
111.04501	34.4
129.01942	2.5
137.02432	21.9
138.65727	1.3
143.03496	5.7
155.03526	13.4
173.04533	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	347.1136
Annotation	Syringopicrogenin B
Peak:m/z	Relative Intensity
51.94597	1.9
56.44369	1.7
57.58019	1.8
59.01376	3.5
59.85719	1.8
63.68011	1.9
63.90484	1.7
64.51903	2.0
70.22186	1.8
122.03717	19.8
134.03714	10.5
135.11679	2.2
136.01657	4.9
136.05299	2.8
137.02376	2.8
140.17819	2.1
149.06078	3.0
152.04897	2.7
166.02695	24.8
167.12393	2.0
178.02696	28.1
179.03465	20.7
181.52754	2.1
193.05083	5.2
195.03055	4.0
196.03818	17.8
198.01691	9.5
228.02727	2.8
229.59212	2.3
255.06589	8.7
267.41415	2.2
270.08841	8.9
273.11185	2.9
301.07019	2.5
317.10400	4.5
329.10260	9.8
347.11353	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	347.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
66.26900	0.5
67.73911	0.5
78.95898	3.4
79.95724	1.1
92.19964	0.6
96.95996	100.0
96.96907	10.6
120.99638	4.3
134.04681	0.8
134.24364	0.6
135.04552	0.7
139.61256	0.6
174.01733	0.6
201.87108	0.6
229.15417	0.6
249.12433	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	347.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94740	0.9
56.12048	0.9
58.54042	0.8
58.54406	1.0
59.01377	23.3
67.57513	1.1
71.01342	1.8
84.24450	0.9
101.02449	1.5
103.00354	5.5
136.04045	1.9
148.03998	8.3
198.09128	1.3
200.07159	28.6
213.09308	1.5
214.08760	5.9
215.08266	5.1
218.40982	1.2
221.09987	1.1
228.05379	13.1
242.06776	2.4
243.07739	100.0
244.08656	1.2
245.09276	7.8
255.07729	5.9
257.09338	15.9
267.07745	21.2
271.07303	1.2
273.08777	8.7
285.08859	27.5
303.08694	7.7
347.08698	20.0
347.13269	4.9
347.17380	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	347.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94740	0.9
56.12048	0.9
58.54042	0.8
58.54406	1.0
59.01377	23.3
67.57513	1.1
71.01342	1.8
84.24450	0.9
101.02449	1.5
103.00354	5.5
136.04045	1.9
148.03998	8.3
198.09128	1.3
200.07159	28.6
213.09308	1.5
214.08760	5.9
215.08266	5.1
218.40982	1.2
221.09987	1.1
228.05379	13.1
242.06776	2.4
243.07739	100.0
244.08656	1.2
245.09276	7.8
255.07729	5.9
257.09338	15.9
267.07745	21.2
271.07303	1.2
273.08777	8.7
285.08859	27.5
303.08694	7.7
347.08698	20.0
347.13269	4.9
347.17380	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	346.2023
Annotation	CHEBI:69895
Peak:m/z	Relative Intensity
54.01004	0.3
80.34245	0.3
80.99050	0.3
85.08686	0.4
89.86219	0.4
95.79912	0.3
136.85966	0.4
156.01407	0.4
157.56129	0.4
164.19055	0.3
269.04639	0.6
283.17084	2.3
301.18097	0.8
309.76297	0.4
315.19681	0.5
328.19263	0.9
346.20230	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	346.2023
Annotation	CHEBI:69895
Peak:m/z	Relative Intensity
52.65231	0.3
53.27161	0.3
53.28141	0.3
59.01367	1.3
62.57346	0.3
75.00829	0.4
76.68325	0.3
157.19067	0.3
192.60088	0.3
192.70491	0.4
246.10449	0.4
268.03870	0.5
269.04535	0.5
282.25461	0.4
283.17056	0.9
299.20261	0.5
301.18127	2.0
328.19052	1.6
346.20230	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	346.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40170	1.3
55.45278	1.5
71.15420	1.5
74.02464	2.3
86.06676	1.5
88.04034	1.4
119.08616	1.9
120.01197	17.4
121.51298	1.4
128.03477	3.1
129.25751	1.7
137.09570	1.9
145.10205	15.5
152.58018	1.7
163.11243	7.2
171.11632	1.5
176.79466	1.5
184.03313	2.4
225.11346	30.4
250.29286	1.8
259.10034	29.3
265.24750	1.8
267.09781	2.0
328.15167	2.0
346.08902	3.2
346.13190	100.0
346.17123	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	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71950	2.8
55.76342	2.7
58.33655	2.4
59.01379	22.6
65.14081	2.8
111.02458	2.9
111.13884	3.0
125.72374	3.1
136.42455	2.8
180.86777	3.0
181.15970	14.1
257.21237	4.3
270.02325	3.4
283.16943	3.1
285.20569	5.9
303.21774	100.0
313.17960	5.6
324.54938	3.4
329.09546	2.9
345.16989	7.1
345.22961	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16763	3.2
59.01376	100.0
65.80126	3.3
67.19075	3.4
69.26548	3.2
99.89509	3.4
125.25801	3.7
221.16197	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	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32654	1.3
57.02163	1.3
59.01378	89.0
60.01717	9.0
61.98829	100.0
79.95195	1.3
82.83419	1.5
91.68069	1.6
96.25934	1.4
158.03659	3.5
159.03348	3.5
201.02585	12.0
202.02733	40.8
203.02292	38.2
204.00002	41.1
204.02740	14.4
232.49640	1.5
299.01901	1.4
328.09381	1.7
346.04205	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	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13458	2.7
53.58582	2.4
57.91045	3.0
59.01376	26.9
60.07159	2.7
62.52384	2.5
195.17581	4.2
257.21176	5.8
285.20789	3.9
299.16678	3.9
301.18127	11.0
303.21783	100.0
303.24796	4.0
312.98917	2.8
345.13434	5.0
345.16855	28.0
345.22910	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	345.2282
Annotation	oscr#20
Peak:m/z	Relative Intensity
50.94251	1.8
59.01376	12.2
59.88214	1.6
60.10286	1.8
67.94781	2.0
96.11181	1.9
113.09650	2.5
113.51016	2.0
125.09700	3.8
129.09201	14.4
139.11235	4.0
141.09143	4.1
155.10794	4.2
157.08656	2.8
167.10748	3.9
171.10266	10.0
181.12357	3.6
185.11832	13.5
197.11816	11.0
201.11395	2.0
213.11469	2.6
261.49789	2.1
277.37604	2.3
301.18112	3.8
330.40140	2.3
342.19366	2.3
345.13455	3.3
345.17133	11.3
345.22827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2284
Annotation	oscr#20
Peak:m/z	Relative Intensity
59.01376	12.5
64.76591	2.3
74.15657	2.2
78.17685	2.6
80.96078	2.2
85.03009	3.1
99.08125	4.1
114.48067	2.6
125.09728	3.2
139.11275	2.7
181.12299	11.4
187.09747	3.0
227.12810	2.5
245.13907	3.6
345.16650	5.3
345.22821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	27.9
61.25159	1.0
66.64111	1.2
66.95909	1.2
70.29156	0.9
71.01369	1.2
73.02933	2.3
75.26277	1.1
79.39169	1.0
85.02947	6.9
99.08130	5.2
119.34875	1.2
125.09689	1.7
127.11266	2.0
129.09157	5.6
143.10796	11.2
146.06091	18.9
155.10770	4.8
165.09166	1.9
167.14450	1.2
169.13428	2.1
171.10243	9.2
185.11789	10.6
188.10806	2.2
195.01886	1.1
197.11778	9.9
201.11330	100.0
215.12947	2.1
239.20148	2.5
257.21225	6.3
285.17914	1.8
285.20691	41.5
301.19186	7.2
303.21756	31.8
309.20728	6.0
327.21713	22.1
345.18094	30.3
345.22757	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	345.1707
Annotation	Royleanonic acid
Peak:m/z	Relative Intensity
59.01361	5.7
61.22160	3.3
71.13528	3.2
80.06937	3.3
171.10260	5.7
228.18036	4.0
285.20599	20.2
301.18094	100.0
303.21756	24.5
315.16092	5.9
345.17035	60.1
345.22791	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	345.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59654	0.8
57.03430	1.0
58.48348	0.8
59.01376	3.7
60.30397	0.7
69.03443	1.4
70.75790	0.8
72.99320	1.2
79.05524	0.9
80.21635	0.8
83.05010	10.6
85.06577	8.1
87.00851	1.0
90.97697	0.8
92.19989	1.4
92.98346	0.8
93.92870	0.8
95.05005	15.7
97.06569	2.0
101.06071	2.1
106.04271	1.6
107.05009	1.4
111.04467	1.3
111.08134	7.2
113.06056	13.1
123.04517	1.0
124.05309	1.2
125.06065	8.4
135.08096	0.9
137.09703	1.5
141.05620	2.1
149.09665	10.5
157.99387	0.9
158.83287	0.9
159.06606	66.0
165.05455	1.0
183.10313	1.0
189.07692	1.9
237.11226	1.5
273.13440	3.6
345.15759	3.6
345.19177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.8
75.23418	2.4
78.39024	1.9
88.34013	1.9
118.19623	2.5
146.76410	2.1
160.82253	2.2
212.06645	2.7
263.20154	100.0
324.05307	2.3
345.20453	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
50.29403	3.1
51.75112	2.5
53.25920	3.1
55.79345	2.6
59.01376	100.0
70.32726	3.2
71.01372	37.6
85.02945	4.8
86.24670	3.0
89.02434	55.2
101.02420	23.6
104.46674	3.2
113.02424	21.8
119.03454	23.7
121.10210	25.6
157.15199	3.9
179.05585	3.9
189.83055	3.1
195.29314	3.1
207.28230	3.1
345.15509	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1708
Annotation	Royleanonic acid
Peak:m/z	Relative Intensity
56.99989	1.0
57.28923	1.1
59.01379	23.1
61.57450	1.1
79.70589	1.0
81.62075	1.1
83.21777	1.2
84.55463	1.2
85.02936	9.1
85.06533	1.5
92.20036	1.6
125.09762	1.1
153.12808	1.7
171.10242	2.4
175.66354	1.1
181.12372	2.3
185.11813	7.1
199.13493	1.5
199.17041	2.2
201.11368	1.4
215.53600	1.2
225.11197	1.4
235.56479	1.4
239.20244	2.6
257.21332	9.9
285.20740	61.8
286.15753	6.0
301.18082	100.0
303.18250	1.9
303.21780	51.3
323.82001	1.2
327.21939	2.3
345.16998	55.2
345.22794	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01589	1.7
88.01958	1.5
92.19257	2.5
94.52338	1.6
97.57062	1.4
101.77072	1.5
177.76463	1.4
237.55829	1.4
286.13629	99.9
301.15979	100.0
345.10818	3.6
345.14938	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51611	1.6
52.33022	1.3
52.53428	1.6
57.56687	1.4
59.01375	100.0
62.04681	1.5
62.11527	1.6
71.01379	17.9
73.02934	24.1
79.05521	8.5
83.01376	3.8
85.02947	3.4
89.02429	7.6
95.05022	2.0
96.46854	1.5
97.06567	25.1
101.02422	18.9
113.02438	7.1
113.89166	1.7
118.61642	1.7
123.04501	7.7
125.12259	1.6
132.04510	3.1
133.05305	8.4
141.05580	9.4
141.23883	1.7
161.04527	8.6
183.05363	1.7
203.05577	6.4
232.20224	1.9
300.60922	1.7
303.14420	1.8
317.96747	1.6
345.11459	17.2
345.15695	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	345.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24206	0.8
58.22765	0.8
59.01375	21.8
60.61010	1.0
72.99268	1.1
78.49455	0.9
80.17271	1.0
86.50221	1.1
91.15079	1.0
91.66401	1.0
93.03431	3.8
101.02439	1.0
121.02952	19.6
123.04510	100.0
129.69865	0.9
137.65387	0.9
277.85995	1.0
280.43616	1.2
285.09875	1.4
330.18698	1.0
345.11499	4.1
345.15576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55249	2.1
51.70767	2.2
52.94033	2.2
54.63348	2.6
59.01375	29.1
71.01381	26.8
73.02937	6.8
80.02670	4.5
85.02931	18.1
89.02422	17.3
89.20538	2.5
91.05515	16.5
93.07092	3.2
101.02425	20.9
103.05519	26.8
106.04231	18.2
109.06571	89.4
110.03717	18.9
111.08135	12.2
113.02421	16.1
119.03463	4.1
119.05016	12.8
121.06574	100.0
123.00898	3.2
124.01633	14.8
138.03265	3.6
139.07646	46.9
161.04503	19.3
165.05553	18.2
166.99870	12.1
168.00615	25.5
182.02197	14.8
183.02963	67.0
345.08368	23.2
345.11697	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	345.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76171	1.2
58.50833	1.5
59.01376	6.5
63.65796	1.1
66.53831	1.2
72.99292	23.3
73.96011	1.3
83.98794	1.4
96.32637	1.4
117.23085	1.5
122.06068	2.5
126.74494	1.5
132.04607	1.9
133.05307	5.2
134.06102	1.7
160.04012	24.4
161.04807	83.8
161.06165	2.7
162.05600	30.5
193.03806	15.6
195.97029	1.4
213.09285	2.6
229.09853	2.2
231.10226	2.8
240.10320	10.3
241.09924	1.7
271.10867	41.4
271.13538	2.4
274.17099	1.5
283.10883	48.3
311.37268	1.3
327.09839	9.7
345.10916	100.0
354.00366	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	345.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58633	1.3
62.94316	1.1
70.26830	1.1
71.09996	1.2
73.40832	1.4
81.06425	1.2
92.64038	1.3
106.06640	1.4
122.06097	1.9
124.07642	17.2
132.04532	34.1
133.05319	58.2
134.06102	9.0
140.18607	1.3
165.04300	7.0
177.04277	7.1
178.05183	1.6
180.94092	1.5
214.12418	9.3
215.09901	1.4
215.11804	12.0
227.07935	1.3
229.09842	2.8
241.09866	3.2
257.12943	21.4
283.07977	1.4
283.10837	10.5
301.11972	8.6
345.10910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50721	0.9
54.17599	1.0
57.47540	1.1
59.01371	2.1
59.84688	1.1
62.80566	1.2
78.48971	1.0
79.34326	1.1
151.03993	5.8
181.08952	1.4
184.54871	1.2
200.04829	2.1
211.04042	6.5
212.04781	11.9
215.07222	1.3
227.03575	1.5
227.07181	11.1
228.04248	9.0
239.03519	6.2
240.04263	5.8
241.04993	1.8
243.06644	9.7
252.86888	1.7
253.05086	1.8
256.03784	34.4
259.06189	1.4
271.06140	53.9
283.02530	21.4
286.08496	11.4
287.05640	5.2
289.07043	2.0
300.02850	1.9
314.04288	1.8
315.05136	36.3
330.07462	27.6
345.09793	100.0
356.06750	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	345.0825
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.84990	1.4
56.00557	1.5
59.01370	9.7
71.01369	11.0
73.02939	1.9
74.58913	1.7
85.02951	2.3
89.02438	2.0
91.05508	4.0
92.20021	2.1
100.91963	1.8
101.02422	4.1
101.69975	1.7
103.05529	2.9
106.04215	3.4
107.55208	1.9
109.02937	2.3
109.06584	15.6
109.42039	1.6
110.03712	3.2
113.02383	2.8
121.06567	14.6
123.00858	26.9
123.04501	2.6
124.01624	16.8
138.03210	17.3
139.03999	11.2
139.07616	7.2
161.04552	2.7
165.05527	2.8
166.99834	79.1
168.00595	27.0
182.02194	100.0
183.02965	63.0
345.08246	95.3
345.12347	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	345.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.5
85.27618	3.8
106.19385	4.0
110.08734	3.6
121.02918	9.6
122.03689	6.4
123.04514	4.3
125.09744	4.8
130.08702	21.2
150.03183	4.7
165.01891	20.8
166.02672	19.4
171.10231	5.6
180.04269	41.4
194.02155	6.8
197.05986	5.3
207.02946	5.3
209.04544	18.0
212.03270	9.4
213.05528	7.4
215.09259	4.0
221.04575	5.5
225.05487	9.4
241.05054	94.3
253.05042	22.5
256.07379	46.9
268.07275	5.2
281.04416	4.3
285.04056	19.3
296.06866	6.6
297.04126	36.6
300.06393	51.0
301.07187	6.9
312.06467	18.5
315.08759	100.0
322.99411	3.9
327.08771	89.9
344.64362	4.9
345.09845	96.0
345.14172	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	344.1864
Annotation	Guan-fu base K
Peak:m/z	Relative Intensity
66.24590	0.5
67.27260	0.4
69.00961	0.5
69.23490	0.5
84.07751	0.4
87.95406	0.4
92.19947	0.9
103.70946	0.5
176.44705	0.6
229.51263	0.5
239.67084	0.5
299.16537	5.9
344.18658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1867
Annotation	Guan-fu base K
Peak:m/z	Relative Intensity
72.34737	0.4
75.98569	0.4
88.19228	0.3
91.00744	0.3
104.95416	0.3
108.84411	0.3
109.76311	0.4
111.29923	0.3
160.16466	0.3
178.04797	0.3
196.07710	0.4
283.16949	3.2
299.16522	2.4
336.55722	0.4
344.18665	100.0
366.62900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40462	1.4
59.01086	2.4
59.01376	63.3
60.37288	1.6
65.61945	1.4
71.01373	27.3
77.12417	1.4
83.83822	1.4
85.02944	2.9
89.02431	24.0
89.53327	1.6
92.05053	3.8
92.19296	2.2
96.96865	1.8
101.02435	19.5
113.02460	15.2
113.56777	1.5
118.86918	1.5
119.03464	10.4
120.04526	22.9
122.06123	3.9
136.04012	3.8
137.04866	2.3
138.05605	41.0
164.03516	67.1
180.06656	7.0
183.18718	1.6
225.96622	2.0
244.13760	1.7
300.10889	7.7
344.09860	100.0
344.14053	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	344.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66387	36.4
62.90571	40.4
73.65118	41.3
76.14598	44.6
79.30920	44.2
85.99053	45.8
89.32483	40.8
102.37897	43.7
240.76038	44.7
301.16553	100.0
310.82581	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	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.34807	0.6
59.01375	1.6
64.40564	0.7
69.03436	1.3
99.08140	7.0
114.54105	0.8
121.10197	3.7
125.09672	1.7
137.09734	1.4
139.11214	0.9
171.10257	29.8
193.12328	18.9
211.13348	5.5
225.14973	21.5
243.15807	5.6
293.21249	1.7
311.16452	1.1
343.24908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51715	1.2
53.22571	1.1
55.08427	1.3
56.25068	1.4
57.12876	1.2
59.01378	3.2
84.24751	1.3
85.93984	1.5
92.20071	1.5
93.97380	1.4
96.72491	1.2
99.08140	5.7
121.10207	2.5
129.09203	1.9
139.11270	1.9
169.12096	1.3
171.10263	46.2
183.13918	7.8
185.11795	8.1
193.12419	2.0
199.13358	1.7
200.55009	1.5
210.02083	1.3
211.13379	38.2
215.12878	2.1
221.11720	1.8
285.20776	6.8
289.97739	1.3
321.38257	1.3
343.16571	36.5
343.24896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
62.10487	1.3
69.03480	1.9
74.79709	1.1
83.05012	1.4
99.08148	14.7
106.85156	1.1
125.09693	2.8
148.31567	1.2
148.95857	1.1
165.12868	1.5
171.10248	8.0
175.11227	1.7
193.12337	27.1
201.11292	1.9
209.11813	1.9
211.13414	6.0
225.14955	30.3
243.15982	10.2
293.21048	2.2
294.72217	1.3
307.19354	1.7
343.24908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.65685	1.3
60.71228	0.9
76.80885	1.0
79.09742	1.1
80.84349	1.3
99.08151	5.3
102.69823	1.0
105.16688	1.0
116.85678	1.2
121.10223	8.3
137.09743	1.8
139.11327	2.2
152.43484	1.2
171.10258	64.0
185.11763	1.3
191.14409	1.2
193.12360	8.3
201.11368	2.6
211.13191	1.3
225.14900	9.6
243.16019	1.8
245.19160	2.1
255.80792	1.3
289.18112	7.3
307.19165	15.3
343.24911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
52.55014	2.1
59.01369	11.4
61.54404	2.3
62.01177	2.9
73.02923	4.1
73.23689	2.4
78.57100	2.5
78.73849	2.6
115.07621	18.4
125.09718	3.4
129.09216	47.9
129.10114	4.6
132.25572	3.2
141.09232	11.5
143.10788	32.6
151.11264	29.2
155.10744	4.5
157.12383	3.6
167.10770	4.8
171.10254	100.0
185.11809	26.8
201.11308	21.7
209.11847	17.1
213.11346	29.3
227.12871	14.5
229.14333	5.2
281.21164	3.5
297.20667	4.3
307.19058	14.0
325.20178	29.2
343.15491	4.0
343.21500	20.1
343.24863	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	343.2126
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
58.34163	4.0
61.65952	4.7
68.17710	4.8
99.24960	5.0
125.09686	18.8
139.85017	5.3
145.08656	26.8
153.12805	53.0
157.47487	5.1
162.36870	4.6
197.11862	72.5
215.12839	76.2
325.20111	5.4
330.47147	5.1
335.28952	5.0
343.21341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	8.8
59.27769	7.3
59.95713	9.5
76.03386	9.0
81.43259	8.0
92.70414	9.7
96.00648	8.7
97.70656	8.4
99.08170	13.3
101.80774	9.8
122.41087	9.4
151.11217	9.1
160.05321	8.8
171.10245	57.7
183.13898	13.5
211.13405	69.1
243.15814	10.8
343.24982	100.0
351.26089	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	343.2126
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
52.05349	0.7
54.59237	0.8
57.03450	1.3
57.94547	0.8
58.95996	0.6
59.01368	0.7
61.56639	0.7
63.46862	0.7
69.25813	0.7
73.02944	1.2
83.05014	4.0
99.08142	1.7
105.93301	0.8
111.08138	3.3
127.07640	3.6
127.11285	3.9
129.09200	50.2
136.38213	0.8
137.09726	1.8
141.09209	15.8
155.10770	23.1
167.10750	3.9
167.52632	0.8
171.10252	1.1
179.10837	1.0
201.11368	10.7
213.11340	19.0
225.11337	1.2
236.58905	0.8
243.12457	1.7
261.18561	0.8
279.19577	0.8
307.19263	1.5
325.20117	4.6
343.21268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89025	4.3
57.72159	4.0
77.93562	4.3
80.53533	4.4
97.06510	4.8
104.05575	4.6
125.09710	72.9
141.09195	11.7
142.06615	6.2
161.26218	4.9
162.12349	4.7
173.11810	28.0
187.09740	100.0
214.10951	4.9
224.34367	4.9
343.21255	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	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
72.13000	1.6
73.18533	1.8
81.56902	1.6
97.06574	18.0
107.62688	1.9
115.61096	1.8
123.08130	7.2
125.09700	100.0
159.10237	18.3
169.08728	2.0
171.10251	2.4
171.13806	2.3
201.11311	4.0
267.19751	3.4
311.18808	14.4
333.96805	1.7
343.08594	2.2
343.21283	26.2
343.25015	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	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31329	8.1
55.21291	8.3
59.13658	8.5
59.14390	7.8
63.64743	6.6
76.12114	8.0
92.19409	14.3
92.51534	8.3
102.97800	9.2
115.07622	19.2
129.09180	37.4
137.45168	9.0
141.09167	11.3
143.10736	11.5
147.48921	9.5
151.11285	35.2
171.10277	100.0
227.12845	12.6
325.20172	44.4
343.21191	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	343.1551
Annotation	18-Hydroxyballonigrine
Peak:m/z	Relative Intensity
55.33132	1.2
55.39289	1.0
59.01355	1.7
62.80517	1.0
64.03156	1.1
65.33309	1.1
74.06883	1.1
135.04536	4.9
171.10283	1.9
186.60339	1.2
188.12086	2.9
199.11331	1.6
225.12828	1.6
255.13866	6.9
265.12363	4.7
266.13187	1.7
269.15482	100.0
279.31870	1.1
281.15475	21.1
299.16519	21.3
343.15494	46.9
343.21246	10.8
343.32062	1.3
346.48700	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70767	0.9
57.03436	1.2
57.30187	1.0
59.01375	5.0
60.11926	1.1
71.01381	1.8
72.04536	4.7
73.02945	1.9
75.02748	1.0
85.02959	4.4
87.00858	14.3
93.03377	1.3
99.65327	1.1
101.07162	1.9
107.04984	8.6
109.04073	1.9
109.06573	1.3
119.04998	15.3
120.66418	1.1
123.00884	2.4
125.09708	1.1
127.05119	38.0
128.03535	17.6
134.81793	1.2
135.04518	12.2
135.08122	5.7
137.02457	1.4
137.06088	9.9
138.03226	1.4
139.04027	1.3
139.08733	13.9
145.06171	26.7
152.10770	1.4
153.09290	1.5
157.09830	2.4
163.03993	11.3
165.10268	1.9
171.10237	1.5
179.07117	1.8
181.05070	44.2
197.08206	6.8
198.11374	4.8
215.09344	1.7
219.14993	1.7
269.11414	1.6
281.14978	4.6
297.14523	1.8
307.12741	1.8
325.13919	8.0
343.06403	3.9
343.10422	27.2
343.15045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73129	1.6
59.01376	100.0
63.70094	1.7
67.84983	1.9
71.01363	2.6
87.00888	1.9
89.02428	3.1
92.81365	1.9
101.02394	3.4
102.98532	2.3
113.02454	3.0
130.08727	29.0
131.09073	12.0
193.12291	2.0
206.15143	2.1
206.81961	1.9
210.81297	1.8
277.17853	1.8
283.11841	2.4
301.12967	3.4
301.16312	2.1
343.14047	4.1
343.19543	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	343.1187
Annotation	6-Methoxycomaparvin 5-methyl ether
Peak:m/z	Relative Intensity
59.01363	7.4
60.13514	4.3
73.02931	6.9
85.02927	4.0
92.19313	8.4
95.05057	6.5
95.80611	3.7
96.51451	3.3
121.02938	28.1
123.04484	6.5
125.08588	3.8
125.89206	3.7
132.05807	4.5
160.82381	3.6
171.10286	8.1
211.13451	15.2
227.07208	4.4
227.20644	3.9
229.14436	14.6
238.06400	5.2
239.07176	41.7
251.07158	14.3
253.08736	34.0
254.09491	37.4
265.08545	36.9
266.09445	22.8
269.08264	8.4
281.08255	28.4
283.53940	3.8
300.49625	4.0
310.08362	3.8
313.10825	100.0
325.10831	79.4
343.11829	17.7
343.21188	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
64.14767	1.6
86.04517	1.6
87.04579	1.9
87.85298	2.0
99.92548	3.4
100.93341	8.1
115.92085	8.5
116.92830	11.1
121.02917	23.7
162.58337	2.3
171.10263	8.4
181.12291	3.5
226.06358	2.8
237.05721	2.3
241.04918	3.2
241.08646	2.3
253.05363	4.0
255.06607	27.9
264.17477	2.2
268.07269	3.5
269.08206	77.7
281.04987	4.1
283.09772	36.5
284.10654	9.5
311.09213	18.8
325.19977	2.5
328.09491	18.0
329.71811	2.2
343.11899	100.0
343.21179	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1034
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
58.77070	0.9
59.01364	2.8
60.21477	0.9
63.36343	1.1
64.64630	1.2
71.01360	4.4
72.99300	1.5
79.56548	1.1
80.91856	1.0
85.33358	1.2
87.00856	1.5
101.05811	1.0
107.05014	37.9
119.05002	63.7
122.03699	2.0
123.00860	9.6
124.01622	5.5
135.04506	21.3
137.06065	63.6
138.03207	7.1
139.04004	15.7
161.04494	2.1
163.03990	20.2
181.05049	100.0
182.53369	1.2
231.29277	1.1
258.55518	1.3
299.14508	1.3
313.09085	1.5
343.10324	52.2
343.14417	2.5
359.37106	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	343.103
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
51.76780	0.6
59.01374	9.5
67.05951	0.6
69.28003	0.6
70.69684	0.6
71.01382	0.7
81.36541	0.6
109.02921	4.1
109.06553	1.1
112.98666	0.7
119.04982	4.8
121.02889	4.8
128.49123	0.6
135.03607	0.7
135.04489	5.8
136.05293	1.1
136.83180	0.6
137.06059	43.9
161.02429	8.8
162.02765	4.4
163.02914	4.3
163.04018	3.4
179.03496	1.2
180.04166	1.2
181.05057	100.0
343.10214	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	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.2
71.01388	0.8
73.02932	1.0
85.02898	1.2
87.00873	1.2
93.03442	1.9
95.01362	2.0
113.02438	0.8
121.02915	5.0
123.00862	100.0
124.01639	51.9
137.02397	1.5
138.03214	66.5
139.03996	98.5
149.02423	1.0
156.31261	0.8
166.02681	0.8
178.02740	1.2
181.04976	1.8
213.63147	0.8
217.19576	0.8
343.10248	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	343.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71244	0.7
50.99540	0.6
55.96492	0.7
58.99598	9.6
59.01373	4.9
62.49615	0.8
66.36633	0.7
74.99082	1.7
78.52200	0.8
88.98441	0.7
93.03438	1.1
96.24697	0.7
102.22362	1.0
102.98584	100.0
120.99625	7.8
123.04516	1.6
134.03746	0.9
134.57024	0.8
137.02454	1.3
149.06076	10.4
156.06511	0.9
163.00705	8.1
181.08771	1.2
189.15021	0.9
213.05939	11.3
280.44128	0.8
343.08817	1.8
343.14227	3.0
366.77576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56962	0.6
58.99602	9.6
59.01376	3.1
74.99073	1.1
90.38087	0.8
93.03436	1.2
94.03734	1.0
102.98587	100.0
120.99653	9.7
123.04507	1.3
124.74495	0.9
134.03749	1.9
137.02422	3.9
138.02788	0.8
149.06081	14.8
163.00650	10.0
189.56026	0.8
212.29427	0.9
213.05923	13.7
284.63055	1.0
301.07602	3.1
343.08878	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	343.0823
Annotation	Clinopodic acid A
Peak:m/z	Relative Intensity
51.22310	1.6
53.43923	2.1
56.37135	1.9
59.01377	4.7
67.01870	3.4
73.08381	2.1
74.58324	2.0
92.19382	2.5
109.02955	3.9
117.03465	3.5
121.02970	3.2
148.05296	5.2
165.07018	2.2
171.38760	2.3
181.06465	3.7
182.07346	15.8
193.06596	2.6
209.06104	18.0
210.06844	100.0
211.07678	11.8
222.06895	2.3
224.01131	2.3
225.05527	8.3
225.09210	3.8
226.06363	2.2
227.07133	2.6
228.07916	2.5
237.05559	10.6
239.07115	4.7
248.59955	2.3
254.05844	52.5
258.75458	2.6
269.08151	20.0
281.08252	4.8
298.04736	3.4
299.12753	4.4
313.07147	43.0
333.53262	2.4
343.08200	80.6
343.11594	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	342.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99801	0.3
63.63915	0.4
67.76089	0.4
71.01381	0.5
87.80479	0.5
95.22152	0.5
102.19171	0.4
109.85460	0.5
119.08626	2.1
128.10773	0.6
130.08717	100.0
142.52034	0.4
167.53040	0.4
238.18073	0.6
342.19220	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09981	0.8
91.91971	1.0
102.26034	0.9
128.10788	6.4
130.08719	100.0
130.29149	1.0
136.95343	1.1
151.69044	1.0
172.09782	32.0
173.64804	1.0
225.96547	1.1
235.51051	1.0
239.59637	1.2
339.38553	0.9
342.19183	39.0
342.23026	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	342.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29248	0.6
65.34323	0.5
67.92239	0.6
70.77100	0.7
110.74110	0.6
128.10782	5.0
130.08719	100.0
166.00975	0.8
172.09779	52.2
342.15323	1.4
342.19223	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	343.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82630	3.8
59.01384	100.0
59.41122	3.6
59.43851	3.7
65.67970	4.0
75.74701	4.0
93.74158	4.0
95.69123	5.6
96.92137	6.1
98.45369	3.9
104.21185	4.1
109.03507	4.5
127.94469	3.8
157.03519	7.8
159.57018	4.5
164.02962	4.8
166.92024	8.5
178.97713	5.2
184.88644	6.4
201.00896	5.2
201.02585	94.7
228.20572	4.7
245.66637	4.2
315.93814	4.8
331.70502	4.1
343.03885	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	341.2696
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
57.03440	1.7
58.03524	0.7
59.01368	1.0
64.03541	0.6
65.76028	0.7
67.40695	0.7
105.85329	0.7
127.11271	0.8
141.12868	2.8
146.69238	0.9
153.12766	1.4
155.14384	10.4
169.12390	5.3
181.12367	1.6
185.11815	41.0
185.13483	1.4
199.13431	8.2
211.07590	0.8
212.10049	0.8
215.12889	5.7
240.71738	0.8
305.24719	7.6
323.25854	6.6
339.25354	1.2
341.26962	100.0
361.60361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10908	0.6
56.93788	0.6
59.01379	0.8
67.62085	0.7
72.51241	0.8
81.03444	2.8
83.05009	18.0
85.47200	0.6
85.79275	0.7
93.03510	0.8
100.07645	1.7
126.05614	1.5
130.08720	11.2
145.04996	0.9
170.11848	100.0
172.29379	0.9
196.09782	5.6
210.18677	1.1
214.10789	13.6
216.12329	0.9
236.16541	4.1
238.09534	1.5
280.15564	1.1
298.16586	0.9
300.09497	0.7
312.40811	0.8
324.14383	0.7
342.15579	61.3
342.19006	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	342.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.9
59.01383	22.4
61.44842	1.6
65.75124	1.8
71.01371	3.1
72.20043	2.3
73.02937	1.9
81.03432	4.4
83.05016	78.5
85.02913	3.5
85.06558	4.9
86.02451	13.0
99.00864	85.8
100.06496	2.2
101.02433	2.2
101.06074	19.1
109.04015	2.0
109.06580	3.0
111.04497	10.5
111.08153	2.6
114.09244	3.3
127.03999	4.7
127.07675	2.8
129.05586	15.5
140.10808	3.5
142.08676	15.5
144.10265	4.4
144.49445	2.1
145.05045	24.4
147.31859	2.7
188.09254	39.6
214.10854	36.3
242.13945	4.6
280.15558	3.3
300.11450	2.7
324.14398	2.9
342.11871	7.2
342.15564	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97834	1.0
58.00590	1.0
68.84866	0.9
93.75463	1.0
97.06538	1.4
97.28313	1.0
99.08146	100.0
112.55714	1.2
163.11284	4.8
174.00829	1.1
181.12334	24.5
191.10703	1.5
191.78059	1.1
209.11871	6.7
241.14464	6.3
341.23337	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62032	3.6
58.02969	5.1
59.01382	9.2
71.01376	19.6
73.02939	17.6
73.74387	3.7
85.02950	6.3
87.04494	5.3
89.02419	5.8
92.19958	4.5
93.03481	5.7
111.08134	23.8
122.78400	4.5
129.10356	6.0
141.09203	24.1
141.10341	22.6
143.11880	41.8
146.27974	4.1
155.10793	10.3
161.02458	10.2
189.66617	4.8
237.09225	27.1
263.21231	5.2
281.08316	7.2
298.75806	5.8
299.09195	9.7
299.23392	100.0
311.09207	7.0
338.06525	4.8
341.25571	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01379	1.8
60.95979	1.0
67.28090	1.0
71.01387	1.7
84.02157	21.3
84.27221	1.1
89.02438	2.0
97.06564	6.2
98.82095	1.3
99.04496	5.3
101.02409	1.8
104.47782	1.2
112.83650	1.4
113.09756	2.4
120.01687	1.2
127.07620	4.6
169.08772	1.4
171.10281	25.7
183.13898	23.8
192.42633	1.2
193.12328	5.5
211.13432	17.8
225.14883	2.8
243.15977	1.5
253.57050	1.2
283.57999	1.3
291.19781	1.4
313.13492	1.2
341.19727	4.7
341.23325	100.0
344.71936	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13862	4.2
59.01379	5.8
71.01431	4.4
90.61382	4.6
99.08149	33.1
105.27200	4.6
125.09701	10.9
129.09181	6.6
137.09744	57.4
137.79750	5.6
141.09068	5.7
141.35732	5.6
168.17696	6.9
171.10229	87.5
177.21761	5.4
237.26671	4.8
287.47101	5.4
321.55548	5.2
324.76328	5.5
341.23376	100.0
341.27155	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	8.7
62.45490	3.4
72.02988	4.2
87.40511	4.0
89.02439	4.4
91.29063	4.9
97.06576	8.6
98.90819	4.0
104.12639	3.9
104.26318	4.2
109.93550	3.8
110.01806	3.7
134.32065	4.0
174.44498	3.8
193.12334	26.8
194.11061	4.1
211.13422	8.8
225.14952	26.3
258.33240	4.0
341.14240	5.6
341.17877	19.3
341.23309	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	341.1968
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
59.01375	47.5
61.30278	3.6
70.77364	3.0
71.01373	18.8
71.05009	4.3
83.05023	7.8
84.02196	3.4
85.02937	7.0
89.02447	29.7
89.19540	4.1
92.20020	7.2
95.05074	4.2
96.13268	4.2
97.04527	3.6
101.02422	7.5
109.06525	4.3
113.02406	8.0
119.03455	8.6
127.07614	16.0
139.07587	4.5
153.09138	5.3
155.10764	7.8
161.02428	21.4
177.12857	3.9
179.05563	5.5
185.11891	4.5
201.11301	8.3
209.11862	15.2
213.11237	8.9
223.13295	17.8
225.11339	8.7
267.12360	4.5
271.32397	4.1
277.17551	4.4
311.09277	4.5
323.18622	26.8
341.11163	26.6
341.15457	12.8
341.19632	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	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98537	3.8
59.01373	9.7
61.87517	4.0
66.11678	4.0
77.85022	4.2
81.11684	4.1
85.02923	3.8
87.51228	3.8
96.32854	3.8
145.08678	26.8
150.27521	3.9
151.11292	8.3
169.12332	100.0
185.41765	3.8
213.11351	30.3
272.22302	3.9
341.19669	17.2
341.26697	6.4
347.01614	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.3
59.01383	4.6
71.01357	2.6
71.05007	2.4
73.02939	3.0
83.05009	3.3
84.90239	2.3
89.02425	5.4
99.08146	3.1
109.77704	2.1
111.08072	2.4
113.02415	3.3
113.49770	2.6
127.11274	5.0
129.09215	79.1
137.09682	3.1
141.09200	33.3
155.10765	12.3
161.02391	5.2
181.08733	4.0
209.94559	2.8
252.99406	2.2
285.87207	2.8
323.18423	3.0
341.10449	4.7
341.19687	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	341.1968
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
50.32676	0.9
57.03426	0.9
63.83480	1.0
71.01356	1.6
72.02192	1.0
73.81147	0.9
79.84158	0.9
82.33440	0.9
82.53215	1.0
83.05015	10.1
92.19292	1.4
99.08141	3.9
110.03638	1.0
111.08134	1.8
113.09669	1.3
123.08144	1.2
127.07639	12.5
135.04445	1.3
137.09737	2.0
139.07619	2.2
141.09242	1.2
143.07043	1.0
149.09734	1.3
155.09628	1.4
155.10777	14.9
158.98528	1.1
161.02414	8.3
167.10796	1.9
178.09897	1.1
179.03546	1.3
179.10783	7.5
181.12337	2.4
195.10175	1.5
199.09749	2.0
201.11331	6.5
213.11368	8.9
225.11333	12.2
243.12263	1.5
272.12656	1.1
277.17996	4.6
323.18640	14.8
341.08554	1.6
341.19693	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	341.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07644	2.5
51.78957	2.9
51.80342	2.5
56.13101	2.4
57.03458	2.2
59.01373	16.4
59.38128	2.4
67.65794	3.7
68.64918	2.7
71.05041	3.7
74.08206	3.0
83.05018	6.0
88.99550	3.0
89.02441	4.1
91.34010	2.6
95.05012	3.5
105.80978	2.6
106.41067	2.9
145.66501	3.1
151.11279	3.3
155.74124	2.8
161.02516	3.7
163.11313	3.0
172.11325	3.0
179.14345	6.1
185.11812	3.3
187.11470	3.6
205.12306	5.0
209.11722	6.4
222.59119	2.9
223.13373	100.0
252.11507	5.8
267.12527	10.3
280.85138	2.9
326.11584	23.0
341.01920	3.8
341.13632	26.6
341.15970	46.5
341.19852	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	341.1605
Annotation	Anacine
Peak:m/z	Relative Intensity
50.71163	1.3
59.01377	31.4
69.03448	41.0
71.01354	3.3
73.61879	2.1
85.02932	30.2
89.02433	6.4
91.35490	1.6
92.19421	2.1
93.02114	1.6
93.03449	17.9
102.98571	3.0
110.60355	1.7
111.04445	5.9
118.90524	1.7
119.84132	1.6
126.24406	1.8
137.02444	10.8
149.06070	70.5
161.02466	2.9
175.07628	22.8
188.24614	1.9
193.08694	71.4
341.09219	2.5
341.16104	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	341.1606
Annotation	Anacine
Peak:m/z	Relative Intensity
52.39730	1.7
57.03462	2.1
59.01382	12.8
59.95478	1.6
71.01370	3.2
71.05006	4.7
81.03412	2.1
83.05013	9.3
89.02436	3.9
92.19965	2.1
95.97206	2.0
96.64366	2.0
111.08114	3.2
135.04591	2.2
161.02444	4.8
175.03992	3.2
179.14398	10.4
205.12257	2.5
209.11786	2.6
223.11238	3.3
223.13409	100.0
249.11455	2.4
267.12320	11.0
269.04645	2.8
341.11484	4.7
341.16083	60.5
341.19803	9.8
364.14096	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	341.1393
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
53.61528	0.9
55.39604	0.9
58.72300	0.9
59.01373	1.8
71.01357	1.0
71.05004	1.1
73.83965	1.1
77.34142	0.9
81.03439	1.8
83.05000	1.5
91.90321	1.2
93.03462	1.3
95.42664	1.0
97.61726	1.1
99.92589	1.6
100.93337	1.9
111.04494	5.4
112.62068	1.0
116.92850	1.3
139.11133	1.1
145.02980	1.0
151.07602	2.2
171.10291	5.7
185.90875	1.3
201.11461	1.4
222.07030	1.3
255.10265	6.6
269.04453	3.9
270.12637	1.7
279.03247	2.0
283.09778	22.0
295.09732	4.6
296.10507	1.8
297.11496	1.5
298.12170	1.8
310.11917	1.7
311.09256	100.0
325.10828	1.3
326.11566	31.0
341.03284	4.6
341.13925	66.0
341.19409	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	341.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	5.7
59.01385	14.8
67.56087	0.9
71.01375	8.6
75.00846	1.0
78.04694	1.1
84.04536	1.6
87.00874	2.3
89.02429	12.4
93.03454	6.7
96.95988	9.7
101.02452	6.1
101.07201	9.0
104.47602	1.1
109.04072	7.0
111.92139	1.0
113.02454	3.7
119.03507	2.4
119.04928	1.3
123.08149	25.5
125.03570	2.1
125.07189	18.5
125.09711	1.8
127.05122	36.3
128.03535	13.9
133.06612	5.5
135.04509	34.6
135.05476	1.2
137.02458	10.9
140.10852	1.9
145.06181	85.3
145.09872	4.1
151.07680	4.1
161.02467	1.8
179.03511	2.6
179.05742	1.0
179.12001	1.3
204.02969	1.1
207.14960	1.5
252.70036	1.0
297.14523	3.6
341.05060	2.1
341.13708	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	341.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03902	0.5
56.58107	0.5
59.01393	5.5
66.82036	0.5
71.01365	3.0
73.47531	0.7
74.10867	0.5
82.08497	0.7
89.02438	1.1
93.03448	52.6
101.02425	1.4
108.02178	1.1
111.32278	0.7
121.02944	2.8
136.05295	31.6
137.02437	100.0
137.06073	50.0
137.07159	1.1
179.07111	1.2
206.19070	0.7
209.33778	0.6
341.08762	2.5
341.12332	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	341.1239
Annotation	(-)-Macrosphelide L
Peak:m/z	Relative Intensity
51.69289	0.9
59.01376	17.7
69.03436	6.8
70.50481	1.3
71.01369	4.8
77.82266	1.1
83.08910	1.3
85.02946	2.0
85.06583	2.9
87.00854	18.5
89.02443	6.3
92.19997	1.7
93.03403	4.1
97.06576	6.3
98.36861	1.3
101.02401	2.1
111.04551	5.2
113.02464	3.0
119.03510	2.2
119.04993	2.0
121.06583	5.2
123.04504	7.2
133.02930	3.1
137.02452	8.7
137.06018	1.9
139.07626	3.0
147.08150	1.5
149.06085	7.4
149.09659	2.3
151.04057	5.3
165.05580	2.4
165.09239	6.8
175.11259	1.8
181.08670	1.4
182.11311	1.4
186.21568	1.6
191.10793	14.5
193.08673	8.6
201.09236	1.4
207.10297	2.0
209.11844	2.3
217.12379	10.5
217.39961	1.4
219.10176	9.8
233.11928	2.0
256.47870	1.4
261.11356	8.2
263.09290	6.4
267.55511	1.4
279.12457	2.3
281.10300	28.6
305.10312	2.5
323.11310	9.7
341.12457	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	341.124
Annotation	(-)-Macrosphelide L
Peak:m/z	Relative Intensity
50.89611	2.2
57.48731	2.5
59.01379	50.6
69.03429	13.5
71.01373	18.0
73.02927	13.0
78.06731	2.3
85.02940	10.0
85.06565	3.8
87.00852	20.3
89.02433	14.9
90.00799	2.5
93.03461	23.3
97.06575	10.5
101.02426	18.5
111.04483	4.5
113.02408	5.0
119.03486	3.6
119.04996	4.3
121.06570	4.2
123.04495	14.8
137.02425	42.4
139.07632	4.0
144.65921	2.5
149.06068	10.1
151.03955	4.5
165.09201	5.8
181.08693	2.9
191.10759	14.1
193.08728	10.1
196.35887	2.7
201.04906	2.7
217.12346	10.9
219.10056	4.8
235.09940	3.1
261.11325	5.9
263.88199	3.1
281.10324	30.9
299.11240	2.7
312.33725	2.6
341.12442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Sucrose
Peak:m/z	Relative Intensity
51.69949	1.3
54.95001	1.4
55.05949	1.4
59.01377	100.0
71.01373	57.1
72.75424	1.3
73.02936	3.0
81.99464	1.5
83.01369	2.7
85.02942	6.7
89.02428	94.1
95.01347	1.6
101.02423	41.4
104.00877	1.6
113.02439	29.9
119.03480	28.8
124.70373	1.7
131.03474	2.0
138.68732	1.5
143.03500	2.6
149.04651	1.7
161.02449	11.2
161.04567	7.8
176.67682	1.5
179.05623	23.7
211.89470	1.8
323.08249	1.4
341.10950	72.9
348.54242	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	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60182	0.8
59.01376	39.1
67.45838	0.8
71.01369	15.6
73.02930	15.1
83.01372	4.0
84.81551	0.8
85.02924	5.2
85.43464	0.7
88.06294	0.8
89.02416	10.3
93.03438	57.8
97.78913	0.7
101.02425	12.9
101.90620	0.9
103.05838	0.8
108.56324	0.7
113.02433	9.2
119.03475	1.8
119.04997	17.1
121.83090	0.8
129.01938	1.0
137.02426	100.0
161.02364	4.2
161.04613	2.7
163.04019	1.0
179.03418	1.4
179.05705	1.4
234.09752	0.8
273.76682	1.1
281.10294	12.5
299.11328	4.8
341.08786	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
52.97167	8.5
59.01374	88.8
67.64188	9.2
71.01376	71.6
89.02443	92.5
96.49290	8.4
96.95393	8.7
97.96393	10.5
100.95400	8.9
101.02419	38.1
103.36780	9.3
113.02413	17.3
119.03464	16.8
130.11276	8.4
161.02492	33.6
179.05547	14.6
225.15067	19.7
267.73764	11.5
324.13113	9.3
341.11099	100.0
341.14386	15.9
341.23380	95.1
342.50635	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	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
52.02242	2.4
59.01379	97.0
71.01370	58.1
71.59825	2.8
81.23510	2.7
83.01401	2.8
85.02947	9.8
87.00854	6.5
89.02429	100.0
91.93235	2.7
95.01338	2.6
101.02425	34.4
113.02430	27.1
119.03484	24.5
135.04507	17.5
135.79936	2.7
143.03456	3.4
152.21901	2.7
161.02434	45.2
161.04478	9.1
179.03514	14.3
179.05569	34.3
213.98361	2.4
275.29092	2.9
338.22061	3.2
341.11313	73.0
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	Unknow
Peak:m/z	Relative Intensity
50.55528	1.5
54.80246	1.5
59.01379	100.0
59.94249	2.5
71.01372	53.1
78.27136	1.7
83.01382	2.1
83.89131	2.0
85.02951	8.1
87.00903	1.9
89.02432	79.2
92.19949	2.4
95.01383	2.2
101.02435	40.9
113.02435	30.5
119.03497	27.8
127.19888	2.0
143.03511	2.6
161.04552	7.6
179.05617	21.6
204.99847	1.9
341.10883	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Trehalose
Peak:m/z	Relative Intensity
59.01376	77.5
70.16049	1.8
71.01371	39.9
78.12133	1.9
85.02953	4.8
87.00862	7.5
89.02431	79.1
89.42902	2.1
89.81726	1.7
93.04549	3.2
101.02422	29.5
113.02433	20.1
119.03478	21.7
133.02910	8.1
135.03490	3.3
135.04515	78.4
137.03542	9.1
146.08217	1.9
149.90968	2.1
161.02432	100.0
161.04539	12.0
179.03508	62.5
179.05521	24.4
232.97765	2.1
290.17477	2.3
341.08713	55.8
341.11041	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	341.1029
Annotation	UWM6
Peak:m/z	Relative Intensity
52.88344	0.6
54.00720	0.9
59.01376	9.4
62.75000	0.7
72.99291	5.8
85.02986	0.9
93.03439	14.2
101.37306	0.8
105.30379	0.8
113.09697	0.8
116.58168	0.9
127.59435	0.8
143.05006	1.9
161.02477	0.9
219.08153	3.0
219.24132	1.0
222.06914	1.0
225.09155	1.7
235.07536	1.4
236.08575	0.9
237.09201	100.0
242.22729	0.7
253.08720	15.6
263.06989	2.9
281.05322	1.4
281.08206	23.6
299.09219	37.9
299.12589	1.5
341.10196	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	341.1029
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
53.18740	1.2
59.07352	1.0
65.06064	1.0
87.42362	1.2
101.02341	1.1
121.02908	5.7
122.01920	1.4
160.05220	1.9
162.61374	1.2
196.05241	1.5
203.09108	1.6
218.78319	1.1
221.06061	1.5
222.06923	1.8
223.07655	4.0
237.05479	1.5
239.07060	15.6
249.05446	10.4
250.06354	1.9
265.05066	5.4
266.05777	4.4
267.06619	100.0
281.08243	4.8
282.08978	18.0
294.05328	10.8
297.11313	9.4
309.07684	15.5
311.02545	1.3
311.05548	11.3
326.07965	16.2
341.10287	74.1
341.19571	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	341.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30759	0.9
59.01369	13.6
59.49039	0.8
64.52357	0.8
71.01369	5.1
75.00861	1.1
87.00860	5.1
89.02419	7.0
93.03442	9.6
101.02434	2.0
102.98562	2.2
111.37749	1.0
113.02473	1.6
119.05008	2.0
129.01970	1.6
133.02899	1.0
135.04514	87.5
137.02429	14.3
137.06068	4.3
142.57396	1.1
145.38979	0.9
151.02257	1.0
159.04477	16.6
161.02435	10.0
163.04080	1.5
175.02211	7.4
175.03738	1.9
179.03484	100.0
191.03532	7.0
193.03253	5.2
195.05083	6.4
211.04361	12.8
219.03041	1.7
220.03786	1.2
279.05206	1.3
281.04910	1.3
323.04019	1.4
341.05148	2.0
341.08694	23.5
355.90808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65945	0.8
59.01367	4.9
62.21146	0.8
68.70805	0.8
71.01376	1.8
75.00848	0.8
93.03438	54.9
102.63792	0.9
115.02747	1.0
124.91180	0.8
135.04507	48.8
137.02432	100.0
137.08871	0.8
155.64314	1.1
161.02461	10.2
179.03491	42.8
181.34424	0.9
341.08731	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	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36613	0.9
51.88040	0.7
53.48852	0.7
59.01359	0.9
62.24954	0.7
80.21215	0.7
84.10723	0.9
85.02954	1.0
87.00859	4.8
102.82959	0.9
123.94938	0.9
133.02974	7.1
135.04515	22.0
161.02425	100.0
161.04581	4.5
179.03513	15.6
179.05647	6.0
203.78445	0.9
220.03397	0.8
230.26192	0.9
256.99094	0.8
257.66348	0.9
341.08774	56.2
341.99734	0.8
352.33749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	24.4
71.01369	12.3
85.00845	0.7
87.00850	1.0
89.02429	21.7
90.12344	0.8
96.96947	1.8
101.02414	9.6
107.05016	1.4
113.02404	7.7
119.03487	5.4
134.03723	8.2
135.04514	100.0
161.02473	6.2
179.03490	49.8
179.05542	4.5
245.95183	0.8
341.11426	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	341.0876
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.09734	0.9
54.92144	0.7
55.86559	1.0
57.07460	0.6
60.60278	0.8
87.00871	3.8
133.02948	11.4
135.04523	27.0
161.02434	100.0
161.04588	6.3
179.03496	28.3
179.05598	9.3
320.29019	1.0
341.08786	66.4
347.11746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00351	1.0
61.12539	0.8
67.50614	0.8
72.66604	0.9
84.75568	0.8
87.00871	3.6
92.19339	1.1
93.98847	0.9
98.84219	0.9
133.02913	7.5
134.03735	2.2
135.04509	55.5
161.02425	100.0
161.04573	4.4
179.03494	47.2
179.05562	6.3
181.72470	0.9
201.73929	1.0
219.77701	0.9
262.45966	1.0
341.08774	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28418	1.9
76.30821	1.9
80.48530	2.1
82.87365	1.9
84.63741	1.8
98.12753	2.0
107.62267	2.2
128.10783	3.6
130.08723	100.0
133.22813	2.2
134.42177	2.6
172.09790	69.0
322.16644	3.3
340.17636	10.7
343.30890	1.9
349.33444	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	340.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80294	0.7
52.14734	0.8
54.94528	0.8
61.37405	0.7
71.01384	0.9
92.34937	0.9
93.57983	0.8
100.20137	0.8
130.08730	100.0
166.06795	0.9
208.09819	5.4
225.81532	0.9
248.71915	1.0
278.17621	0.9
293.50287	1.0
298.21078	3.9
322.16489	2.1
340.14078	3.1
340.17651	36.2
340.23630	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	340.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70372	0.7
54.14228	0.9
62.09154	0.8
84.20810	0.9
130.08720	100.0
153.09166	1.5
157.37410	1.1
203.28392	0.9
209.08194	2.0
328.23630	1.2
340.13504	1.9
340.17633	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92371	0.6
54.38344	0.5
64.24616	0.6
68.24135	0.5
118.58099	0.6
128.10777	5.5
130.08717	100.0
172.09782	56.9
172.11298	1.5
173.48088	0.6
182.11942	1.0
273.89243	0.6
340.17545	5.4
340.21133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1401
Annotation	His-Trp
Peak:m/z	Relative Intensity
54.42677	1.3
65.68765	1.3
71.01382	17.0
72.04541	16.0
81.53560	1.5
88.04031	43.6
115.00362	31.2
115.51569	1.5
128.88983	1.5
130.08704	6.1
132.02995	2.4
163.11287	5.8
180.13969	2.9
181.12328	17.7
198.45618	1.6
206.11847	1.8
224.12952	21.3
225.11343	8.8
234.14725	1.7
252.16014	2.3
278.13937	1.5
322.13010	9.2
340.14026	100.0
340.17462	3.6
340.23026	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	340.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	0.6
60.47754	0.4
65.23672	0.4
78.07369	0.5
81.97417	0.5
90.26279	0.5
92.19293	0.5
93.26553	0.4
122.03732	1.2
128.10829	4.9
130.08717	100.0
135.08208	0.5
137.06093	1.9
172.09776	36.3
244.15550	0.5
340.17664	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.14
Annotation	His-Trp
Peak:m/z	Relative Intensity
54.76387	0.5
65.17779	0.6
126.05611	1.0
127.80717	0.7
130.08730	9.5
170.11845	100.0
196.09798	4.6
200.95154	0.7
211.54366	0.8
214.10851	9.9
232.06140	0.7
234.14893	4.7
252.16068	3.8
270.15686	0.6
270.75928	0.7
278.13998	3.7
281.78778	0.7
296.15033	12.0
340.09927	1.4
340.14029	38.2
340.17612	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	339.2538
Annotation	11-deoxy-PGF1alpha
Peak:m/z	Relative Intensity
63.08440	6.6
70.05396	7.7
70.95928	6.6
71.05012	9.7
72.44682	5.8
74.45177	6.6
84.23074	6.7
99.08154	14.8
101.06094	13.9
204.81154	7.8
339.19958	35.4
339.25308	100.0
346.28708	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	339.2539
Annotation	ent-13E-Labdene-2alpha,3alpha,8alpha,15-tetrol
Peak:m/z	Relative Intensity
52.54625	1.1
58.00586	1.4
59.01371	2.3
59.98006	1.2
83.05023	2.4
97.06540	1.9
99.08136	19.6
106.43070	1.4
108.86749	1.4
113.09732	1.3
115.05756	1.7
127.07648	3.0
129.09200	32.5
135.08130	2.4
151.11275	1.6
166.30968	1.3
171.10236	6.9
175.85893	1.4
185.66891	1.4
209.15451	35.2
221.15504	2.1
231.83182	1.4
239.16762	1.4
259.57538	1.7
303.23264	5.1
318.96896	1.5
321.20636	9.0
321.24307	6.6
339.21622	16.5
339.25375	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	339.2539
Annotation	11-deoxy-PGF1beta
Peak:m/z	Relative Intensity
59.01388	1.7
61.36446	0.7
67.09979	0.8
67.44353	0.7
71.01376	1.0
71.05010	3.9
72.59284	0.8
81.42905	0.8
83.05028	1.4
84.12231	0.8
113.09670	4.9
141.12773	6.8
153.12807	4.7
169.12335	1.7
186.42236	0.8
192.37326	0.9
275.23773	1.1
277.25275	1.5
321.24268	3.4
339.25388	100.0
341.05270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.254
Annotation	11-deoxy-PGF1beta
Peak:m/z	Relative Intensity
58.41007	1.4
84.04865	1.5
88.79206	1.5
92.19916	2.0
99.08156	3.0
113.09702	2.7
129.09213	7.4
130.11118	1.7
134.23279	1.7
179.14371	1.6
193.15948	2.2
209.15388	7.0
211.17001	2.0
221.15410	2.3
225.15009	17.7
227.16560	2.8
239.16565	20.2
263.58014	1.6
321.24344	12.8
339.20337	8.0
339.25397	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	339.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23586	11.6
54.69411	11.2
85.30962	11.4
89.39514	11.7
110.63825	13.4
134.20935	13.4
196.43896	11.9
203.65973	14.6
213.11256	22.3
235.13393	14.1
237.14934	100.0
265.64117	12.9
321.20660	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.3
61.37033	2.4
63.52720	2.4
75.48627	2.5
82.95506	2.6
86.56226	2.9
87.41837	2.7
92.02001	3.1
102.36579	3.2
104.82075	2.7
106.04212	13.9
115.28759	2.8
117.07076	5.5
128.00551	2.8
135.08147	71.1
171.08858	4.5
171.10258	100.0
224.07883	2.6
237.14957	13.7
259.82632	3.3
321.20779	6.9
339.21750	42.4
358.48718	3.0
361.81772	3.5
361.95529	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
55.83909	0.7
56.09439	0.7
59.82080	0.8
62.67056	0.8
66.27264	0.7
69.75143	0.8
72.54059	0.7
84.70628	0.7
90.26517	0.9
91.90140	0.8
93.10954	0.7
96.29121	0.9
98.89810	0.7
137.12643	0.8
163.11275	100.0
214.05646	1.0
339.23309	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2539
Annotation	11-deoxy-PGF1beta
Peak:m/z	Relative Intensity
57.06976	1.3
63.42660	1.5
65.10699	1.4
75.13801	1.5
81.32088	1.5
99.08139	7.6
113.09705	2.6
124.03629	1.7
129.09204	7.9
133.19643	1.6
145.90459	1.7
207.13821	1.8
209.15479	3.8
211.17017	2.4
221.15532	3.1
225.07814	1.6
225.14977	8.7
227.16479	2.3
236.34399	1.6
239.16516	29.9
280.35754	1.8
321.20819	1.9
321.24377	9.7
339.20865	5.8
339.25372	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	338.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57382	0.5
59.01381	5.1
65.66902	0.5
68.84600	0.5
81.02561	0.5
82.02982	3.1
84.04547	7.1
85.02934	3.6
100.04042	3.6
108.99901	0.5
121.02921	3.3
122.03741	3.0
128.03497	6.5
129.01978	0.7
133.02940	9.1
134.03734	4.1
135.04544	0.7
149.06036	4.4
175.03954	1.0
177.01907	7.4
218.08177	1.0
219.09010	10.8
236.09254	1.2
239.64610	0.6
249.10057	100.0
250.10762	5.0
264.12402	65.0
278.10345	18.8
296.11423	11.2
338.12567	3.9
352.81622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64677	0.8
54.11753	0.7
56.51467	0.9
70.04141	0.9
78.01783	0.8
90.06142	0.9
111.78692	0.9
116.18835	1.1
183.01196	23.0
184.03278	1.1
194.98061	1.0
233.78757	1.0
237.53772	0.9
338.15924	1.1
339.19983	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	338.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	43.0
60.01677	3.3
63.77510	2.2
71.01370	4.0
80.81443	2.4
82.02957	19.2
84.04536	26.2
85.02923	18.9
100.04031	18.2
109.68767	2.2
110.02469	2.9
121.02921	25.4
122.03732	9.0
128.03516	39.9
129.01845	2.8
134.03772	20.8
135.04440	3.7
137.02419	5.7
149.06093	21.1
157.50407	2.8
189.31111	2.2
205.88806	2.4
218.08223	5.1
219.08992	56.0
234.11328	2.9
236.09271	3.5
250.10805	28.5
264.08960	3.0
278.10309	100.0
296.11438	53.6
338.12204	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1608
Annotation	Aucherine
Peak:m/z	Relative Intensity
77.34029	0.9
91.14872	1.0
91.33369	0.9
92.08461	1.0
130.08720	100.0
132.02989	1.2
137.09689	1.5
163.07629	8.6
193.08665	6.6
207.06641	26.6
276.16061	8.2
278.10403	1.1
294.17157	6.3
320.15036	6.1
330.08936	1.1
338.12515	2.2
338.16092	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89811	1.5
53.65264	1.9
59.01370	4.9
82.02966	15.4
83.61449	1.8
84.04524	32.2
85.02920	18.2
100.04025	26.7
110.02471	4.0
121.02122	2.4
121.02911	18.8
122.03720	12.3
128.03514	33.4
129.01927	2.5
132.72606	2.1
133.39839	2.2
134.03702	20.9
135.04520	3.0
149.06091	18.7
218.08109	3.6
219.08997	50.6
234.11232	3.3
236.09375	7.0
250.10846	27.1
264.08759	2.8
278.10324	100.0
289.34335	2.4
296.11349	53.5
327.45801	2.1
338.12418	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	338.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61778	1.3
55.76198	1.0
59.01399	1.4
71.01365	12.3
72.04531	2.8
73.82764	1.3
88.04028	87.9
90.20998	1.3
107.02315	1.3
108.04494	2.3
112.07651	1.4
114.01943	2.6
115.00341	26.6
123.26430	1.2
129.49879	1.3
132.03015	100.0
135.11795	5.3
161.09709	1.3
162.87199	1.4
178.12358	8.1
179.10762	2.9
222.11317	2.9
229.62189	1.4
232.13582	1.4
250.14549	3.1
264.87244	1.5
294.13437	7.6
296.11374	1.3
317.79425	1.4
320.11438	2.4
338.12466	76.2
338.16583	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	337.2384
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
50.28357	1.7
51.54720	1.5
52.06348	1.5
56.87365	1.8
58.31034	2.3
59.01377	1.8
87.00857	8.5
272.22000	2.2
305.21121	8.8
337.20447	5.2
337.23883	100.0
357.80029	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	338.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83413	1.2
52.81596	1.3
59.01369	5.5
59.18355	1.3
83.70744	1.2
84.04549	1.7
87.00865	15.1
102.29174	1.3
102.96156	1.4
105.01901	2.1
114.86593	1.4
120.05348	2.9
132.04509	13.5
145.03012	2.1
146.03351	2.4
147.03181	2.3
164.04367	2.0
172.03973	2.2
176.07121	12.5
180.46719	1.6
191.05872	78.5
200.03534	12.9
206.08206	35.7
216.06602	12.6
219.09059	1.8
219.14206	1.3
223.04837	28.2
230.52718	1.4
244.06102	12.1
248.09207	3.4
262.14850	1.6
276.08670	6.1
278.06711	13.4
278.10336	7.1
296.11459	2.0
338.08813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85635	1.7
59.01369	5.4
61.58225	2.4
70.88293	2.1
78.12151	2.3
79.01057	2.2
84.57008	2.1
86.06108	1.9
88.15377	2.0
90.83693	2.3
96.18663	2.4
99.08118	2.4
112.67333	2.2
129.09239	3.6
193.15961	2.9
197.11847	3.5
200.98048	2.4
204.66486	2.1
211.13518	2.8
212.30209	2.1
223.13426	4.3
234.68948	2.3
237.15016	8.5
319.22699	3.7
337.23880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28297	0.6
59.01375	3.0
60.62305	0.7
60.82246	0.7
64.67068	0.7
74.67025	0.7
83.05002	1.2
90.87368	0.8
111.08168	1.2
117.56043	0.7
122.00397	0.8
127.11240	1.4
129.09203	1.1
147.21887	0.8
165.74788	0.7
169.12439	0.8
179.14391	3.4
189.13004	1.0
195.13861	1.2
199.35605	0.9
207.13829	4.9
216.95987	1.1
265.21582	1.5
293.24957	4.7
319.22745	9.4
337.23853	100.0
344.27457	0.8
347.61743	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2385
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
50.07706	0.7
50.22983	0.6
50.52067	0.8
54.02899	0.7
54.74608	0.8
59.01370	5.9
71.04987	1.2
73.43417	0.8
81.03446	0.9
83.05006	4.3
98.33404	0.8
106.23280	0.9
113.06066	0.8
113.09685	1.3
127.11275	0.9
131.75316	0.9
139.11272	1.5
141.09233	2.0
165.12860	8.8
167.10768	1.4
168.11546	6.0
177.12799	0.8
179.14334	3.1
180.11513	1.7
183.13760	1.3
193.16045	0.9
207.14003	1.5
247.20631	3.3
248.46120	0.9
265.21823	1.6
275.23752	9.1
319.22778	44.0
337.23871	100.0
341.15933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.5
61.51506	0.8
65.08989	0.8
71.01380	9.3
73.43462	0.8
81.03319	0.9
82.04095	32.7
85.16573	0.8
108.23122	1.0
123.08138	1.1
129.10289	3.7
141.09207	66.2
195.12489	7.2
234.55051	0.9
251.21323	1.0
337.22464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68861	1.9
59.01379	8.0
62.14447	2.0
74.22385	2.1
74.58994	2.0
92.19958	2.6
97.06530	2.1
109.75284	2.1
115.07586	2.4
116.80532	2.2
131.01712	2.4
145.25542	2.2
166.20624	2.2
221.15404	9.7
248.98912	2.4
253.20251	2.5
264.52081	2.2
319.22784	2.9
337.19800	4.6
337.23813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47845	1.4
56.57523	1.9
59.01382	3.7
61.78971	1.6
64.14729	1.4
71.01363	1.5
73.45943	1.7
83.05003	2.5
126.92455	1.8
129.09209	3.7
141.30208	2.1
155.53163	1.7
157.31395	1.6
168.57686	2.1
193.15996	2.7
207.13931	2.0
223.13336	2.7
229.19690	2.1
237.14934	11.4
304.80679	1.9
319.22720	7.0
337.23868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	16.7
58.04105	1.1
59.01364	2.9
61.68282	1.0
65.11823	1.0
84.04530	5.7
85.02948	2.2
94.30017	1.3
99.04491	4.9
100.04060	4.4
101.04361	1.6
112.07653	5.6
112.08784	2.2
112.97475	1.6
128.03506	1.4
129.10326	76.6
141.10336	29.5
154.09836	5.5
165.09178	1.5
171.12505	7.3
201.56303	1.1
206.02200	1.9
232.09634	1.3
233.10161	6.5
239.62416	1.2
251.11115	2.5
295.20276	72.0
296.79968	1.1
337.22476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47836	0.9
58.02687	1.7
58.02972	29.1
59.79665	0.8
94.02972	1.0
112.07648	10.8
127.08749	3.5
129.10329	38.7
136.11343	1.0
141.09264	2.0
141.10315	13.4
155.11868	3.6
164.10783	4.1
167.11777	0.9
235.18219	3.8
238.69514	0.9
251.21289	18.2
277.19238	9.8
295.20261	100.0
334.27341	0.8
337.22498	48.4
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
51.44698	0.5
59.01377	100.0
63.04041	0.7
84.35124	0.7
96.95979	7.0
126.48519	0.7
135.04532	0.7
178.26654	0.7
277.00464	0.7
324.63995	0.8
337.14191	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	337.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83267	2.2
56.71700	1.7
71.01356	4.7
71.80775	2.0
82.04101	24.8
138.44421	2.2
141.09206	54.5
183.26007	2.3
195.12418	3.8
228.63089	2.2
337.22443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	26.2
59.01377	1.5
69.08446	1.1
72.19965	1.0
74.13055	1.1
82.04093	1.7
92.19443	1.3
112.07664	9.0
124.71756	1.0
127.08767	1.8
129.10332	32.2
141.09305	2.0
141.10323	11.9
155.11893	2.7
164.10748	2.0
167.11928	1.8
171.12494	1.3
235.18195	1.8
251.21274	18.4
277.19080	6.0
295.20270	100.0
337.22495	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08281	0.8
59.01377	100.0
64.33181	0.9
69.32545	1.0
71.01374	4.2
85.02966	1.6
85.63387	1.0
86.26643	0.9
89.02426	1.9
92.20010	1.5
96.94524	1.0
98.04723	0.9
99.17339	1.0
101.02427	2.3
101.27879	1.1
103.25502	1.1
113.02425	4.9
115.07626	100.0
119.03471	1.3
129.66231	1.3
161.04514	1.4
163.03906	1.1
174.03299	1.7
183.62778	0.9
192.66664	0.9
203.07266	1.1
214.49318	1.1
221.60236	1.0
265.07202	3.6
277.12878	9.6
319.08215	1.1
337.09195	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
63.28326	0.6
77.22945	0.6
229.02489	0.6
306.49710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56939	0.5
57.68708	0.5
59.01378	100.0
64.75273	0.5
88.45609	0.5
89.16777	0.5
92.64521	0.5
96.04483	0.5
101.02371	0.6
103.06136	0.5
149.02432	0.8
184.72073	0.5
337.09381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	36.7
59.27289	1.4
62.18049	1.7
64.95911	1.4
66.03485	1.4
66.65900	1.4
70.02958	6.7
71.01369	9.1
72.99284	11.6
79.31643	1.6
82.02977	15.4
83.01375	2.1
87.00867	2.6
89.02442	3.9
89.32677	1.6
99.04444	1.5
100.29908	1.8
101.02431	7.2
110.06153	2.5
113.02418	2.1
116.62535	1.6
122.06084	11.1
129.00359	2.0
135.01952	2.1
136.04018	7.7
138.05597	100.0
144.99982	1.9
152.03520	32.5
154.05029	1.7
166.05084	50.3
184.06175	17.6
191.53287	1.9
198.04044	2.5
202.08714	2.9
218.08211	1.9
230.08185	7.3
245.09262	66.4
247.10921	19.3
257.09253	10.4
275.10416	22.1
277.12891	2.3
295.13943	3.6
319.09418	30.5
337.06219	24.9
337.10422	36.9
337.14807	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	337.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66449	2.4
59.01120	3.3
59.01379	48.7
69.75314	3.1
87.00875	28.0
99.17652	4.1
102.66594	2.8
105.01905	47.8
106.05190	2.6
111.00831	4.6
119.04182	4.2
119.05003	83.4
137.09721	5.6
145.02934	100.0
147.02986	49.9
161.18158	3.3
163.03987	71.8
168.09154	2.7
173.00908	2.8
180.60103	2.9
189.05554	4.1
202.71030	2.9
221.08165	3.5
234.02304	6.3
236.69455	3.3
265.07108	18.6
271.20303	2.8
310.87814	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	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	63.9
87.00856	34.9
95.08729	2.4
99.49187	2.7
105.01919	53.7
111.00812	2.9
117.03426	4.5
119.05000	94.1
139.63972	2.6
145.02946	100.0
147.02953	47.1
151.42291	2.8
163.03996	80.7
216.13704	2.7
265.07111	5.3
293.06860	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	337.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
61.27879	0.8
71.14901	0.9
96.95996	100.0
179.03482	1.2
239.05574	1.4
310.13092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0442
Annotation	1-(5-Phosphoribosyl)imidazole-4-acetate
Peak:m/z	Relative Intensity
59.01372	1.8
59.84495	1.1
71.05001	0.9
75.57982	1.0
78.95892	38.4
81.82568	1.3
96.63304	1.1
106.00629	1.4
110.98513	72.2
111.01984	100.0
113.02425	1.3
115.33205	1.3
152.99574	18.3
154.56636	1.2
155.12083	1.3
164.03581	2.7
164.99596	2.0
176.99530	1.6
225.04126	1.2
294.03934	4.9
337.04453	63.6
337.07724	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	336.1089
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
52.81379	3.1
55.01874	7.1
59.01374	51.4
59.89742	2.7
71.01377	36.9
73.02931	18.5
83.01373	20.0
85.02940	31.0
101.02426	100.0
108.16366	3.4
113.02430	15.6
130.06601	57.0
172.07651	13.8
191.89334	3.6
200.07111	14.0
250.95634	3.6
292.11874	100.0
336.10831	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29995	1.1
57.14169	1.0
59.01379	19.4
59.48358	1.2
62.68539	1.0
63.49192	1.2
82.02975	28.5
84.04539	76.4
85.02943	22.8
91.05517	2.3
96.37104	1.4
100.04034	74.2
101.02399	1.4
117.94077	1.2
128.03514	38.8
129.01944	5.9
160.07648	5.6
188.10797	4.8
204.10263	14.0
232.09779	100.0
233.35165	1.3
250.10828	77.2
252.60861	1.4
292.11917	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	336.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02317	1.7
53.85806	1.7
55.73711	1.6
56.05760	1.6
56.20819	2.4
59.01373	20.4
77.16882	1.6
81.72243	1.8
82.02979	19.4
84.04040	4.1
84.04528	75.3
85.02943	28.2
85.30077	1.7
91.05514	3.2
96.80160	1.7
99.81114	1.9
100.04034	76.0
101.39520	1.7
109.14077	2.5
110.26628	1.9
116.02377	1.8
127.75955	1.8
128.03525	45.2
129.01918	3.7
160.07635	3.2
184.69408	1.8
188.10771	3.8
204.10306	15.5
232.09782	100.0
249.88458	2.4
250.10840	82.1
275.59250	2.0
292.11914	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	335.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96866	1.6
59.01386	2.8
60.87687	1.4
60.88033	1.4
75.94081	1.9
109.83820	1.7
113.09698	4.0
134.30019	1.8
141.09265	2.5
149.76486	1.7
163.22108	1.6
170.53003	1.8
184.66313	1.9
191.14412	1.8
207.13898	8.8
237.15001	2.1
242.42049	1.9
247.10120	2.2
273.22189	2.5
295.51849	1.9
317.21292	16.1
335.22321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43157	3.5
56.06077	3.7
59.01374	4.6
81.82767	3.9
83.05001	7.8
92.19966	5.9
110.03733	6.6
123.08142	7.0
139.11246	15.7
151.11153	5.5
165.12823	8.6
167.10767	7.2
191.14430	6.6
235.13405	100.0
273.22318	10.4
291.23032	5.3
317.21182	79.9
335.22290	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.223
Annotation	Prostaglandin B1
Peak:m/z	Relative Intensity
51.21673	3.0
54.56640	3.3
54.80503	2.9
59.01371	7.9
61.29159	3.4
63.59980	3.2
78.94369	3.9
79.08116	3.9
80.10857	3.8
83.05013	14.6
97.06560	4.3
103.54359	3.9
109.06600	4.6
113.73627	4.2
139.11285	8.3
139.91367	3.6
151.11263	15.3
165.12785	5.4
200.93480	4.3
205.01260	3.5
207.13986	4.8
235.13382	100.0
273.22189	6.2
317.21179	42.0
335.22308	34.9
337.71765	3.9
342.39191	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	335.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20692	4.6
57.03445	12.8
59.01369	33.5
69.03460	7.9
70.89116	4.9
94.38386	5.8
113.09713	29.9
116.82523	5.6
139.11290	10.6
173.13293	10.5
175.11292	6.3
189.12822	10.0
193.12279	25.6
207.13921	8.6
235.13443	13.5
255.21255	10.9
317.21182	28.7
321.33331	6.2
335.22287	100.0
349.84720	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	335.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50513	59.2
116.89496	58.9
177.12706	71.4
184.89600	68.4
189.41959	61.2
204.13017	58.2
207.13864	100.0
235.13371	99.5
289.60355	68.1
335.22150	73.4
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	Unknow
Peak:m/z	Relative Intensity
54.80181	4.5
57.06793	4.8
59.01378	18.8
66.31455	4.5
69.03458	11.3
69.11477	5.2
92.19910	7.5
96.29416	5.3
116.52412	4.6
118.50049	4.8
118.87818	5.2
137.09694	11.2
139.11287	7.8
147.08151	11.6
151.11276	8.2
153.09254	7.1
153.12848	26.5
181.08669	40.2
183.10243	57.7
195.10254	22.6
206.09421	5.3
250.83418	5.3
273.22177	12.3
289.21799	10.4
291.19662	19.5
317.21289	83.1
335.22263	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	335.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00598	2.1
57.03434	12.8
59.01391	20.6
60.81436	2.6
62.17078	2.6
69.03442	6.0
83.05031	5.6
88.91228	2.5
90.24980	2.2
99.08123	4.5
105.11431	2.5
109.06586	2.4
112.38448	2.2
113.09714	20.5
119.08627	2.8
127.11243	3.9
129.09161	4.4
139.11282	11.2
165.12790	2.5
173.13356	12.3
193.12286	28.5
205.12337	9.4
207.13956	4.2
217.12280	2.4
218.94585	2.8
235.13361	10.1
237.14911	2.7
255.21208	15.1
273.22202	4.6
299.20206	4.2
317.21158	22.7
320.06372	2.4
335.22293	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	335.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.9
60.99316	1.5
61.17527	1.4
61.74409	1.4
68.67453	1.5
69.03462	1.6
69.89537	1.4
73.52874	1.5
99.08144	3.7
117.40211	1.9
139.11266	1.7
148.64880	1.6
157.12393	2.9
235.13376	4.0
237.15994	1.7
273.22391	3.3
305.21210	60.0
317.21265	9.9
335.22290	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	335.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.7
59.01376	19.8
69.03453	5.2
69.84303	2.2
71.05025	2.7
77.38850	2.3
83.05038	2.9
85.90736	2.2
95.05038	4.4
97.06590	3.0
99.08154	9.1
107.08652	2.4
111.08154	4.3
113.09682	22.4
126.62932	2.4
135.11787	2.8
139.11278	11.3
145.74918	2.5
151.11214	4.9
161.13342	3.5
163.07599	2.9
163.11287	3.9
163.14992	2.6
171.13930	4.9
173.13383	5.3
191.14362	3.6
201.16539	2.5
205.12418	4.8
235.13432	16.4
242.74336	2.3
244.93028	2.3
251.16605	3.0
253.18048	10.9
255.21121	3.3
258.82669	2.4
273.22205	9.5
277.18018	5.7
299.20114	3.3
305.31500	3.1
317.21219	25.5
335.18692	5.5
335.22269	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	335.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02958	6.8
61.05326	4.3
62.18400	4.1
63.37865	3.9
74.51586	4.3
74.79649	4.1
78.53078	4.7
82.04103	48.7
129.10327	43.9
129.60500	4.5
134.87556	4.1
139.07625	25.0
142.96967	4.9
155.11964	5.7
171.12540	47.3
176.47066	6.0
195.12486	22.4
235.22902	4.9
266.99295	5.2
291.21854	11.2
335.14731	9.8
335.20959	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	335.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50475	6.8
59.01369	7.8
61.38956	8.6
66.87418	7.6
86.28233	9.3
111.08141	10.7
137.23909	9.8
163.99365	8.3
172.85732	11.7
180.36331	8.3
183.64471	8.5
223.13341	55.2
245.85907	9.7
317.21432	10.6
335.22229	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	335.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87219	1.5
52.15936	1.3
56.17519	1.1
58.02728	1.9
58.02977	33.4
60.11134	1.4
61.77343	1.3
69.26600	1.3
81.07080	2.5
82.04081	6.6
92.19291	1.8
112.07626	1.7
112.08811	1.7
125.07214	4.8
127.08757	12.9
129.10323	18.5
136.11269	6.2
137.10825	1.7
144.66786	1.5
149.10797	1.6
154.09865	5.3
155.11916	24.0
167.11929	2.1
178.13524	2.1
178.16068	2.1
195.12436	2.2
197.09106	1.4
207.18651	9.2
218.90974	1.6
249.19652	10.0
291.21841	1.6
293.18732	39.9
335.20905	100.0
339.17816	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	335.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40782	1.1
58.02979	1.7
72.99301	1.7
73.48245	1.5
75.00855	2.4
82.04091	5.4
82.06619	2.4
87.91129	1.4
103.81273	1.4
112.08795	17.0
120.01262	1.7
123.43073	1.5
127.07613	1.6
129.10309	2.2
135.57626	1.4
136.99117	1.5
139.07605	1.7
152.11568	1.4
154.09853	81.3
171.12497	2.1
178.13393	1.3
195.10219	2.6
196.10561	8.9
211.62001	1.3
214.11641	2.0
281.13876	1.3
317.19397	1.6
335.07965	2.7
335.13504	14.4
335.20865	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	335.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42662	3.0
59.01378	23.7
66.76249	3.3
71.01379	7.4
73.02928	21.3
84.59672	5.1
85.02942	3.7
87.00874	7.4
90.98589	16.0
93.03440	4.3
96.95982	3.9
98.49030	4.1
98.78734	3.6
99.04543	3.7
101.02427	17.0
112.08779	21.4
113.02432	5.3
113.66593	3.6
120.99645	7.8
127.07603	6.1
141.06480	3.7
154.09868	57.0
179.00183	5.1
308.19675	6.4
335.08041	18.2
335.13998	28.5
335.17145	14.3
335.20813	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	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72914	1.2
59.01381	39.8
66.49271	1.1
70.37998	1.2
71.01370	22.0
73.02936	21.9
75.00851	2.4
83.01376	5.1
85.02934	6.9
89.02412	11.3
89.21747	1.1
101.02435	29.0
113.02465	11.9
113.06065	7.1
119.03489	2.6
131.07118	5.6
137.53716	1.2
161.04672	1.4
236.00218	1.4
275.11328	2.1
291.74011	1.3
293.12497	14.1
335.13486	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	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40567	1.5
55.64595	1.6
59.01379	35.8
65.85651	1.6
71.01379	28.1
73.02928	20.7
75.00867	13.8
83.01369	7.2
84.81480	1.9
85.02934	12.4
87.00804	2.1
89.02428	7.0
95.01455	2.1
99.00843	2.3
100.65885	1.9
101.02427	23.2
105.77500	1.9
111.08208	1.7
113.02439	10.0
119.03476	2.3
123.99185	1.7
130.53865	1.7
137.02426	3.2
138.37659	1.7
150.59239	1.8
161.04530	3.9
217.68517	1.8
225.11560	1.9
257.08524	2.2
275.04361	2.3
335.13501	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	335.065
Annotation	(R)-4-Bromo-2-methyl-5-(1,2,2-trimethyl-3-cyclopenten-1-yl)phenol acetate
Peak:m/z	Relative Intensity
53.88487	1.8
59.01372	17.6
71.01373	9.0
78.95889	2.5
85.77039	2.1
89.02451	3.1
91.63411	1.9
93.03436	8.4
93.04585	3.3
93.24472	2.3
98.15434	1.8
101.02438	4.4
108.00904	3.0
109.04083	15.9
111.04497	2.4
112.94590	1.8
116.14352	1.8
127.00671	12.5
131.64877	2.1
135.01974	10.8
137.02473	17.4
137.03410	2.7
143.00169	4.0
170.99666	12.1
181.72725	2.5
189.00792	3.4
191.00249	3.1
257.55008	1.9
282.83081	2.0
335.06561	100.0
335.12943	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0772
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01381	1.8
68.86105	1.2
75.22745	1.3
83.04981	1.6
85.51852	1.3
93.03430	22.6
101.02454	1.3
110.12171	1.4
111.04485	9.9
133.02911	12.6
134.03697	5.3
135.04509	49.7
137.02483	9.8
155.03510	6.6
156.26782	1.5
161.02420	100.0
179.03464	46.4
335.07718	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	335.0513
Annotation	2,2-Bis(4-hydroxyphenyl)hexafluoropropane
Peak:m/z	Relative Intensity
59.68441	0.4
68.99559	10.3
94.29875	0.6
110.36221	0.7
161.02148	0.9
178.96901	0.5
182.52451	0.6
197.04099	1.2
225.03523	0.8
246.05042	0.6
265.04816	100.0
297.37210	0.7
311.17072	0.7
335.05118	41.4
335.22391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.6
71.01369	3.2
83.08718	1.1
89.02422	2.6
95.35160	1.3
96.96017	2.7
101.02418	2.6
108.00899	1.9
109.04063	13.4
111.08115	1.6
127.00654	12.4
135.02014	15.6
143.00179	3.2
170.99718	10.6
189.00677	3.2
207.95215	1.4
287.40457	1.4
299.08813	1.3
335.06537	100.0
335.13403	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	334.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	3.9
64.93296	0.7
74.56519	0.9
83.57229	1.0
99.05624	20.3
103.97099	0.8
109.02934	1.0
112.07677	1.8
121.02919	14.9
127.24947	0.8
137.06023	1.1
141.10300	1.1
150.99486	0.8
151.63898	0.8
208.31683	0.8
212.14035	1.0
281.23468	0.9
291.17148	23.4
334.17746	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	333.2073
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
54.03986	0.8
59.01367	4.7
68.75716	1.1
72.95464	1.2
102.98611	1.2
119.45746	1.4
131.15306	1.1
169.84250	1.3
175.55139	1.1
260.14096	2.1
280.36966	1.2
301.18140	4.8
303.19666	79.0
306.29794	1.2
315.19675	34.9
331.19080	1.6
333.16681	3.2
333.20721	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	333.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
59.89384	0.6
70.74426	0.8
71.01373	3.1
75.00817	0.8
75.62275	0.7
85.02931	1.9
89.02430	5.2
91.04003	13.6
101.02405	3.0
102.98549	3.5
158.27861	0.8
169.15947	1.8
171.69676	0.8
197.15468	1.7
199.17044	25.6
202.95096	0.9
241.18063	1.8
259.19238	3.2
270.64764	0.9
291.18097	0.9
315.19748	1.6
333.16699	0.8
333.20667	3.0
354.81366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2072
Annotation	(+)-Phomactin F
Peak:m/z	Relative Intensity
50.78859	3.9
57.03426	4.1
59.01374	10.0
59.33583	3.5
83.14020	3.7
98.18200	3.8
113.09689	18.6
121.06618	4.4
129.05583	6.5
137.09698	8.3
143.98349	4.9
151.11322	10.5
163.65883	4.3
191.14470	4.9
217.15898	4.4
235.13272	21.9
265.21652	9.3
284.62000	4.1
289.21680	4.6
291.19495	6.4
315.19415	39.7
333.15369	27.8
333.20581	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	333.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	13.7
69.03326	7.9
71.64089	7.2
167.06895	7.8
183.91829	9.3
242.71156	8.8
333.20755	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	333.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33248	1.2
57.03430	1.8
59.01385	5.7
66.53622	1.6
80.69057	1.5
88.84377	1.4
123.04457	2.2
137.09761	3.6
141.09206	5.8
163.11259	2.2
164.72878	1.6
165.12782	2.3
217.16008	3.7
233.02667	3.9
234.03627	3.0
243.36742	1.6
247.04352	11.4
248.05170	3.5
271.20715	7.1
289.21826	2.5
315.19708	41.8
333.15274	100.0
333.20663	55.3
350.45563	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2072
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
57.03436	5.7
59.01373	20.8
69.03438	7.4
80.41095	3.5
84.02157	4.5
92.19456	4.2
95.05023	4.7
97.06552	4.5
99.08127	5.0
99.61505	3.9
107.08653	4.8
109.06615	6.0
113.09702	21.2
119.08659	5.6
120.13776	3.9
125.09729	4.0
125.59094	3.9
137.09683	14.5
151.11266	24.0
153.09157	6.4
155.10739	23.6
158.93420	4.2
167.49197	3.7
169.12344	5.1
176.85120	3.7
177.09082	4.9
191.14290	6.0
225.14832	4.0
235.13402	9.3
271.20593	18.4
289.18335	4.2
289.21664	14.4
315.19708	39.0
333.15488	18.1
333.20709	100.0
344.30688	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	333.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75585	4.9
59.01378	100.0
104.70278	5.4
154.20639	6.2
262.85864	5.6
271.25470	5.9
291.18500	6.9
315.19556	20.6
333.20737	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	333.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05798	1.1
52.43590	1.2
56.02966	1.2
59.01378	100.0
59.65611	1.1
59.92074	1.1
60.81823	1.3
66.94485	1.2
69.28249	1.3
71.01373	2.7
71.09042	1.2
73.02956	1.9
73.55634	1.2
75.00848	1.6
82.88985	1.2
85.02942	2.1
101.02428	6.1
102.98564	2.5
113.02421	5.2
155.69676	1.6
291.18103	5.6
333.15588	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	333.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81410	0.4
58.99604	10.8
59.01371	2.5
59.46073	0.4
64.37930	0.4
66.15766	0.4
74.99092	1.1
92.19925	0.7
102.98584	100.0
105.26665	0.5
120.99615	9.3
139.11275	2.8
163.00679	6.3
274.04349	0.5
286.34189	0.6
333.13678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11495	0.4
53.94320	0.4
58.99601	10.6
59.01374	3.6
59.07790	0.5
64.77608	0.5
65.02197	0.6
73.02929	0.5
73.75359	0.5
73.91868	0.5
74.99095	1.2
77.22934	0.5
86.13338	0.6
102.98583	100.0
120.99636	6.6
137.37820	0.5
139.11264	3.4
147.42401	0.5
149.39539	0.5
163.00714	7.4
215.07057	0.7
325.08578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73785	1.3
55.84068	1.5
57.03448	2.5
57.39334	1.3
57.50607	1.3
58.56700	1.2
59.01374	52.9
65.78733	1.5
71.01368	25.6
72.99299	16.1
73.02931	6.0
75.00867	2.0
79.92702	1.4
83.01382	3.7
85.02915	12.0
87.00861	3.0
89.02419	22.9
95.01347	1.8
101.02438	25.4
108.04526	9.1
113.02412	15.7
119.03459	8.6
122.06100	40.9
134.06078	6.9
136.02992	2.0
136.04024	46.3
138.05586	6.7
150.05602	2.2
152.07166	2.8
153.09270	11.5
161.04562	2.1
184.06081	2.5
185.11746	2.0
203.08212	2.1
216.10272	2.3
228.10495	1.6
241.09875	12.7
243.07854	2.3
259.10876	10.7
271.10812	3.6
289.12012	2.0
289.86917	1.5
291.14563	1.8
291.52765	1.7
315.10028	3.0
315.18198	2.7
333.06555	4.7
333.10916	25.4
333.15491	100.0
333.19250	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	333.1192
Annotation	CHEBI:19923
Peak:m/z	Relative Intensity
59.01376	100.0
64.81534	1.3
70.55661	1.2
71.01368	43.5
72.99285	1.7
73.02943	2.0
75.00866	2.3
83.01379	1.7
85.02943	8.4
87.00862	2.0
89.02430	50.6
92.19928	2.3
95.01364	2.0
96.16649	1.1
97.06548	1.8
101.02427	29.4
109.17494	1.3
113.02427	20.4
119.03488	17.5
129.05513	2.0
149.70064	1.2
152.99622	2.6
179.05569	2.1
241.01234	1.7
333.11990	58.2
333.15582	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	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34047	2.0
59.01083	3.7
59.01378	94.6
64.88810	2.0
71.01369	13.5
73.02932	4.3
85.02943	2.7
89.02425	11.4
101.02418	13.6
104.05091	2.5
113.02414	2.8
120.04525	3.1
122.06098	16.1
123.08190	9.2
125.09629	3.7
138.05626	2.8
148.04021	2.6
151.07614	4.4
153.09138	3.2
157.08702	3.0
161.04623	8.1
169.08720	4.2
171.10287	3.1
187.06377	3.6
189.07666	5.0
199.06303	3.2
202.08751	16.8
202.12300	2.4
213.07738	35.4
221.05632	3.5
228.10297	48.0
242.06940	10.4
243.11310	5.2
256.08594	30.7
271.10895	100.0
297.08643	16.7
315.09909	42.6
333.06540	5.2
333.11127	39.9
333.15457	18.9
333.19083	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	333.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19719	2.3
59.01379	100.0
67.05522	24.8
68.32085	2.4
71.01372	28.3
73.01144	3.1
73.02938	68.3
83.01381	11.8
85.02937	10.4
87.00822	3.3
89.02422	12.4
101.02437	49.4
107.51800	3.1
111.04466	5.2
113.02451	6.5
124.49703	2.7
125.02450	3.1
161.04533	6.2
213.70468	2.9
333.11890	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.7
58.81224	1.4
59.01376	39.2
60.83500	1.5
71.01381	7.5
73.02942	11.9
76.77553	1.6
84.13181	1.6
85.02955	3.1
87.04498	1.8
89.02415	2.0
97.06615	1.9
99.04500	3.1
101.02425	7.3
115.38536	1.6
123.08139	26.9
125.09695	27.8
129.05527	1.8
130.39278	1.6
143.03510	7.2
145.05035	3.6
147.90025	1.9
151.07626	28.8
161.04492	8.0
169.08690	24.1
189.07657	21.6
195.06586	3.4
199.09686	4.1
213.07678	100.0
221.05722	2.9
233.10286	2.6
333.06534	2.4
333.11948	43.5
333.15439	4.1
333.19064	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	333.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68091	1.2
52.55743	1.2
55.08389	1.0
60.45259	1.3
65.50896	1.1
67.11532	1.2
71.45223	1.3
72.72644	1.2
78.95888	43.2
96.96944	9.3
152.70152	1.3
152.99562	97.3
171.00612	10.5
241.01205	58.0
241.03670	2.2
259.02200	5.0
302.53552	1.4
305.77591	1.3
333.05917	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	333.0593
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
53.02588	0.7
55.17113	0.7
65.87139	0.7
78.95895	43.7
86.77728	0.8
92.85516	0.9
96.96936	10.5
97.77064	0.8
152.99574	100.0
171.00623	14.1
171.52422	0.8
174.93080	0.8
214.26363	0.8
223.00064	1.1
241.01181	55.1
259.02133	4.1
328.21490	0.9
333.05930	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.9765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31096	0.6
59.01375	93.0
77.54599	0.7
78.95882	1.0
83.48935	0.7
91.99596	0.7
92.19969	1.0
102.33786	0.7
111.69981	0.7
146.97444	1.1
152.99583	2.9
157.03545	11.3
159.01509	5.8
190.96513	6.6
201.02548	100.0
241.01006	1.3
332.97748	8.2
333.05945	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	331.2491
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
59.01382	4.0
70.72285	1.6
103.18646	1.7
112.41389	1.8
125.09718	7.9
141.09247	2.0
143.10863	2.5
155.14415	2.5
157.08711	17.9
167.22202	2.0
171.10220	4.7
171.13875	3.3
187.09796	10.9
209.10806	2.6
271.10745	2.7
299.16486	2.0
313.18027	3.5
313.23859	10.7
316.07233	2.0
331.19144	21.5
331.24936	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	332.1174
Annotation	Furametpyr
Peak:m/z	Relative Intensity
66.46826	1.5
66.51424	1.3
70.77988	1.3
79.72202	1.2
92.19375	1.9
92.37112	1.3
107.08654	100.0
107.17853	1.5
116.22925	1.4
117.89986	1.5
128.03511	3.0
134.84152	1.3
135.25354	1.2
162.02277	2.3
169.08679	1.9
177.55986	1.3
203.07462	17.6
256.51978	1.8
260.50284	1.4
300.78717	1.5
332.11761	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2491
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
59.01349	4.7
60.75735	3.9
62.97209	3.8
69.00855	3.8
71.08707	4.0
82.61535	4.2
84.04552	4.3
115.41199	4.1
126.37571	3.9
128.03500	5.8
139.79472	4.1
157.08670	18.7
171.55595	4.2
187.09775	27.3
209.10834	9.2
230.30670	4.1
243.11461	8.1
271.10812	34.8
289.12012	8.1
306.27347	4.2
313.23831	8.2
322.06012	4.4
331.13568	44.7
331.19202	28.5
331.24902	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	331.228
Annotation	Tessmannic acid methyl ester
Peak:m/z	Relative Intensity
55.28638	0.6
59.01382	0.6
59.22324	0.7
84.04524	1.4
84.98934	0.7
107.64184	0.8
116.72745	0.7
128.03526	1.3
209.10861	1.2
243.11388	1.7
271.10919	4.5
289.11948	1.7
299.20181	100.0
331.13641	4.4
331.19049	5.3
331.22922	4.4
348.27875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2278
Annotation	Secochiliotrin methyl ester
Peak:m/z	Relative Intensity
54.19408	0.5
55.89555	0.5
56.12987	0.5
60.02026	0.5
61.42255	0.5
88.22926	0.5
188.70641	0.6
271.10788	0.6
299.20157	100.0
331.19092	2.4
331.22775	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.1
60.05879	1.4
75.47304	1.8
82.02978	2.9
84.04556	1.9
85.02926	1.7
99.28572	1.9
100.04016	1.6
108.21992	1.7
110.76482	2.0
113.09675	2.1
127.11290	2.5
141.09274	2.0
142.80656	1.5
143.10762	3.5
150.48325	1.7
181.12286	2.0
185.11841	28.1
199.13403	4.2
209.10875	7.9
215.12810	14.1
221.15355	2.0
236.10574	2.0
243.11247	6.1
262.58807	1.6
267.09409	1.9
269.19095	20.2
271.10867	11.1
275.16736	2.5
275.64984	1.9
277.21735	3.2
289.11960	3.7
293.17596	2.7
295.22778	2.9
313.23941	15.0
331.13400	6.9
331.15192	2.1
331.19089	34.8
331.24872	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	331.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26588	1.3
61.32038	1.4
84.04546	3.0
86.69330	1.7
92.19280	1.7
128.03513	2.2
209.10791	7.2
243.11298	6.3
271.10922	13.9
273.14984	12.1
284.49829	1.5
285.07877	2.5
285.79291	1.8
289.11932	6.2
301.18106	25.6
313.18030	7.6
331.19159	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	331.1915
Annotation	Sarcostolide G
Peak:m/z	Relative Intensity
163.07666	2.9
163.53862	0.6
210.07013	0.6
210.84102	0.6
213.61673	0.6
233.59587	0.6
268.14716	7.5
270.16144	2.1
270.83932	0.7
283.17004	6.2
285.18579	11.0
287.20184	24.0
298.15768	15.9
301.18066	1.2
303.19708	6.6
313.18304	1.1
331.19147	100.0
331.24664	4.6
331.84256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1916
Annotation	Sarcostolide G
Peak:m/z	Relative Intensity
51.96586	0.6
84.04539	0.9
84.33632	0.5
90.09133	0.6
128.03542	0.8
209.10764	0.7
212.90540	0.6
215.10678	1.2
243.10175	0.8
257.15436	2.5
271.10925	2.4
285.18637	3.4
287.20169	100.0
289.11844	0.8
301.18002	2.7
313.14563	0.7
313.18097	2.5
331.15561	3.9
331.19119	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1914
Annotation	Acritolongifolide B
Peak:m/z	Relative Intensity
57.57920	8.3
58.64542	8.1
61.98803	10.6
80.37796	7.9
84.04527	15.2
99.59329	10.1
135.08165	11.6
151.62164	10.0
163.28105	9.5
178.26428	9.0
199.69437	10.0
209.10918	18.0
259.20667	89.6
271.10843	55.6
285.18539	10.4
289.12009	16.7
299.20099	9.8
303.19644	62.2
331.19077	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	331.1916
Annotation	19-Hydroxy-royleanone
Peak:m/z	Relative Intensity
84.04532	0.8
95.30602	0.6
95.40982	0.5
128.03508	0.7
150.31528	0.7
166.19951	0.6
267.13937	3.2
271.10718	2.1
283.16992	3.2
285.18573	2.9
289.12085	0.7
301.18094	43.7
313.18161	5.8
331.19159	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	331.1915
Annotation	19-Hydroxy-royleanone
Peak:m/z	Relative Intensity
54.11708	2.8
59.01374	4.5
64.86922	4.0
72.01663	2.9
78.77483	3.6
84.04529	5.2
116.03942	4.0
128.03522	6.6
160.41582	3.4
174.55901	3.6
201.12794	5.8
207.31488	3.6
209.10904	8.2
243.11278	6.3
271.10886	15.4
289.12152	6.4
294.61682	4.5
299.20200	100.0
301.18069	27.8
313.18112	4.4
331.19214	58.7
332.76236	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	331.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02882	0.4
59.01368	0.6
76.43510	0.4
77.03577	0.4
77.62193	0.4
82.02948	0.5
84.04530	2.9
85.02928	1.0
118.25200	0.6
119.34685	0.5
128.03476	2.6
151.52048	0.4
173.11244	0.5
179.77654	0.5
181.07622	0.5
199.11374	0.6
199.95358	0.5
209.10834	2.4
211.89297	0.5
212.19977	0.5
214.23973	0.5
222.78922	0.5
227.11905	0.7
237.12904	0.8
243.11325	2.0
251.14365	6.0
251.60443	0.5
252.15219	4.2
265.15869	1.0
267.17477	0.8
271.10922	5.1
277.16034	0.7
279.13916	9.9
280.14569	0.9
281.15451	1.1
283.16937	3.5
285.18460	1.0
289.11862	3.2
295.17090	5.7
297.14990	2.2
298.15625	3.4
301.18213	0.6
313.18109	18.6
313.21771	0.8
331.19141	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	331.1915
Annotation	sinularolide D
Peak:m/z	Relative Intensity
59.01385	5.3
61.57829	2.6
66.90380	2.0
84.24789	3.0
98.59155	2.8
105.56458	2.2
111.08118	10.4
116.97266	2.3
125.09698	3.8
173.08191	11.4
201.11307	2.8
209.10892	3.1
243.11206	4.7
257.15369	3.6
271.10840	6.1
285.18567	4.3
287.20160	24.4
301.14777	4.3
301.18097	28.5
303.19614	3.2
313.18082	15.9
331.12827	3.5
331.19144	100.0
331.24814	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	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12722	1.5
53.03250	1.5
57.76043	1.7
59.01377	100.0
71.01384	3.7
80.53727	2.1
84.04536	4.2
85.02927	4.4
101.02431	4.3
106.96755	2.4
113.02410	2.6
128.03548	2.8
138.95813	1.9
161.69351	2.5
193.66313	2.0
209.10843	4.8
227.11873	3.5
243.11327	8.1
255.00542	1.9
271.10904	13.7
289.11707	2.6
289.16568	8.7
289.19775	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	331.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39179	1.6
59.01374	30.1
75.67397	1.8
77.49017	1.9
103.40860	1.6
249.18597	100.0
249.21245	3.4
291.94077	1.8
331.19012	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1915
Annotation	Allocyafrin B4
Peak:m/z	Relative Intensity
60.37653	0.8
84.04514	2.1
85.02926	1.1
97.06525	1.5
128.03465	2.0
176.84190	0.8
177.38824	0.9
187.11240	2.1
199.11316	0.9
201.12958	1.2
209.10890	4.0
213.12837	3.7
215.14456	10.3
242.04539	1.1
243.11432	2.1
247.13313	3.9
251.14412	8.7
251.77043	1.0
253.16013	40.2
257.15390	7.1
259.18387	1.0
267.16388	1.1
271.10971	6.9
271.16980	12.7
283.17117	7.3
289.11954	3.8
301.18109	62.4
313.18085	1.4
331.19159	100.0
349.67517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65095	1.5
58.64186	1.7
59.01377	100.0
71.01360	3.2
71.43615	1.9
73.02924	3.2
75.00839	2.1
89.02427	3.7
101.02456	2.8
107.26783	2.1
108.11628	1.9
179.17737	1.8
223.66531	1.7
271.10907	2.5
283.16965	9.8
301.18167	13.1
313.18124	32.5
331.19165	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64771	1.0
51.36478	1.0
57.93700	1.1
59.01376	100.0
70.72792	1.0
71.01373	5.8
73.02913	1.4
75.80312	1.0
81.45549	1.0
83.01369	1.5
84.04544	1.3
85.02950	1.7
93.26657	1.0
101.02426	5.0
107.28664	1.1
113.02394	2.5
115.46893	1.3
119.20052	1.1
130.59651	1.3
166.33238	1.2
236.58000	1.4
271.10779	1.8
289.16327	1.5
316.83102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	3.5
59.01369	14.0
72.04527	2.0
82.02964	14.8
84.04533	52.4
85.02943	17.4
92.19958	2.5
98.60278	2.3
99.78842	2.1
100.04035	10.1
103.90221	2.0
104.16444	2.0
114.59959	2.1
128.03525	29.6
129.01959	3.2
135.90195	1.9
142.06586	5.0
159.09238	3.6
169.37639	2.1
209.10847	54.0
214.12112	2.1
227.11880	21.8
233.66817	2.2
243.11372	42.6
271.10880	100.0
289.11969	62.9
331.13031	23.8
354.71133	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63892	1.8
59.01375	9.9
82.02964	15.8
84.04538	52.7
84.42658	2.0
85.02927	20.0
95.56126	1.7
100.04035	10.1
101.02447	2.3
101.48161	2.0
128.03522	35.8
129.01845	2.4
142.06631	4.9
159.09286	3.8
166.45418	1.9
207.09222	2.4
209.08926	3.8
209.10828	57.5
227.11850	20.9
243.11371	51.8
271.10895	100.0
289.11908	62.2
331.12970	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	331.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19915	1.1
58.02970	2.0
59.01371	16.5
66.53522	1.2
67.69384	1.3
75.08539	1.4
82.02982	14.7
84.04527	51.9
85.02937	19.9
85.18862	1.2
100.04044	14.3
102.98603	2.2
128.03520	36.7
129.01915	1.6
142.06602	7.7
150.20702	1.7
156.08267	1.6
159.09274	5.0
181.07780	1.9
207.09290	2.1
209.08934	2.7
209.10825	52.3
225.10255	1.6
227.11905	22.5
243.11409	45.7
271.10870	100.0
289.11942	59.5
331.12961	24.8
336.51001	1.3
338.61023	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	331.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19500	1.3
54.45814	1.2
58.02978	1.9
59.01373	10.1
82.02953	14.6
84.04529	39.7
85.02917	16.5
88.73039	1.5
100.04026	11.9
109.75845	1.4
127.22032	1.5
128.03514	31.6
129.01892	3.1
131.14116	1.7
142.06580	6.4
159.09229	2.9
209.10828	40.3
227.11880	17.2
243.11371	35.5
271.10889	100.0
289.11938	60.3
289.14331	1.6
315.19537	1.5
331.12946	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	331.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02989	3.1
59.01375	11.1
68.11710	1.4
69.02792	1.7
82.02977	13.0
84.04539	51.6
85.02928	16.7
89.07142	1.3
100.04014	10.7
101.02390	1.7
120.99619	1.6
121.20715	1.7
128.03525	30.4
129.01932	3.4
139.04741	1.4
139.10037	1.6
142.06604	6.2
159.09250	6.2
172.07896	1.5
181.07735	1.7
207.09323	2.7
209.10829	50.4
222.04195	1.7
222.94479	1.6
227.11989	16.0
243.11383	46.2
271.10892	100.0
289.11929	59.2
299.39008	1.9
327.73972	1.7
331.08984	2.4
331.12952	24.0
331.17014	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	331.1035
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.50087	0.5
64.45854	0.8
71.01366	1.1
75.30004	0.6
82.00562	0.7
108.02168	1.6
110.00094	2.7
125.02398	3.3
137.90627	0.8
137.99518	1.1
139.00352	1.2
152.01135	4.6
153.01924	100.0
154.02737	4.7
161.04565	1.4
166.02716	0.9
167.03493	8.3
168.00688	0.7
168.04262	45.6
169.01419	3.1
169.03816	0.8
169.05087	6.5
331.10349	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	331.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31547	0.5
54.04552	0.6
57.42756	0.5
59.01367	0.6
71.01357	1.3
85.02932	1.1
91.54900	0.6
101.02418	0.7
108.02142	0.8
110.00058	0.9
113.02439	0.8
124.04809	0.8
125.02408	3.3
135.04504	1.3
137.02496	0.7
137.99574	2.6
139.00352	1.0
150.61342	0.7
152.01135	4.6
153.01926	100.0
154.02734	4.9
157.98262	0.6
161.04527	1.0
167.03505	12.4
168.00600	1.4
168.04263	48.5
169.03813	0.8
169.05124	6.5
179.19592	0.7
209.04428	1.0
249.12263	4.5
260.53909	0.8
331.07440	8.0
331.10355	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	331.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08847	0.8
53.77738	0.8
54.27647	0.8
57.20137	0.8
59.01369	3.4
72.99308	6.2
73.16294	1.0
101.02426	1.5
103.16095	1.0
110.06090	0.9
122.14052	0.9
129.78316	1.0
148.04008	3.6
150.05539	1.8
186.09149	0.9
214.08722	30.7
226.08710	1.6
229.09801	5.6
241.09776	1.1
242.06944	21.8
254.06956	4.1
257.09305	100.0
269.09293	13.6
287.10416	12.6
313.08496	2.1
323.31891	1.0
329.66907	1.0
331.09406	22.4
331.13800	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	331.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
63.98283	0.7
66.26241	1.0
66.31612	1.0
67.65259	0.8
67.98239	0.8
72.99299	4.8
75.05556	0.9
78.29128	0.9
79.20947	0.8
81.67420	0.9
99.35086	1.0
117.78068	1.0
118.87662	0.9
128.17784	1.1
138.05589	1.4
148.04034	1.8
150.05591	3.6
165.57318	1.0
177.06735	0.9
214.08749	35.4
229.09813	5.5
241.09906	1.6
242.06944	24.3
254.07045	2.0
257.09308	100.0
259.10745	1.4
269.09311	8.5
281.12759	1.1
287.10400	14.5
313.08188	4.5
331.09338	22.6
331.13174	1.6
345.13803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98238	0.8
55.54449	1.2
59.01373	0.9
66.30948	0.8
68.23981	1.0
72.99297	6.2
85.52137	0.9
86.83214	0.9
138.05666	1.2
140.38765	1.1
148.04044	3.5
150.05635	3.6
173.97415	1.2
173.98883	1.0
204.00067	1.1
214.06772	1.6
214.08731	33.6
226.08940	1.1
229.09758	4.9
242.06940	25.6
254.06958	1.4
257.09323	100.0
259.10632	1.9
269.09348	11.3
287.10358	17.5
313.08359	4.4
331.09317	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	330.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54706	1.2
55.01878	3.1
57.73784	1.6
58.02970	8.3
59.01374	8.2
65.68147	1.4
71.01361	2.6
72.40128	1.6
74.88633	1.7
82.02975	2.4
83.01376	10.5
84.04566	2.5
87.52000	1.5
89.02407	1.9
98.02471	3.0
99.00867	3.7
100.04034	100.0
100.84702	1.9
101.02403	7.6
104.02869	1.6
112.04058	17.8
124.04026	3.3
127.11294	3.3
128.03500	2.8
140.03528	9.9
142.05092	6.8
154.05029	3.1
202.07204	35.4
209.22580	2.0
235.62201	1.8
239.48344	1.8
242.01747	2.1
248.85503	1.8
292.39401	2.0
330.19260	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	330.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47389	3.0
58.80619	3.5
63.01818	3.3
80.21220	3.2
111.97897	3.4
120.01244	20.6
128.13690	3.4
147.11768	8.8
147.18649	3.8
148.05263	8.5
154.47923	3.5
161.05814	4.2
163.03783	3.1
190.48447	3.6
209.11806	44.2
243.10564	30.0
330.13913	100.0
340.33011	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	330.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27234	1.7
65.53160	2.0
71.01379	31.0
73.02937	53.7
73.03323	2.4
80.19794	1.7
83.05073	1.7
88.04020	36.8
96.04540	27.6
97.06579	10.1
115.00357	33.1
128.03499	3.9
130.08731	17.2
132.02957	3.0
138.05595	4.7
140.07184	30.9
141.05568	10.5
147.98576	1.9
152.10840	7.6
153.09164	8.5
154.47185	1.9
157.13405	3.2
171.04527	2.0
171.10251	2.7
198.24207	2.0
199.07233	3.2
202.73502	1.8
212.09253	17.9
214.10808	16.9
214.40065	2.0
215.09290	14.4
224.12837	3.8
256.08334	4.3
263.34106	1.9
268.11948	17.9
287.29019	1.9
312.10922	8.1
312.15585	4.3
330.11932	100.0
330.16583	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
59.01381	2.5
71.01372	10.9
72.04534	3.8
73.02927	3.8
77.56807	1.8
78.54137	1.8
83.05044	1.9
85.02942	12.4
87.00870	27.4
88.04028	38.4
94.98279	1.8
96.04553	7.5
98.06106	2.0
99.04521	2.0
102.05630	2.4
110.06054	2.1
115.00351	15.8
121.31122	2.1
125.09708	8.8
131.82436	2.0
132.03053	2.2
134.15961	1.7
135.08176	2.6
139.97473	2.2
140.07141	2.1
152.10786	11.2
153.09210	4.2
161.24402	1.7
168.10298	3.5
171.10245	14.4
196.09807	10.5
214.10869	81.8
215.09319	22.2
224.12982	9.7
268.12009	3.7
290.08481	1.8
312.10922	26.9
330.11990	100.0
346.31543	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	330.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39603	1.9
56.46453	1.9
57.03441	3.4
58.02966	3.2
58.72215	1.9
59.01371	3.3
71.01361	12.3
72.01828	2.1
87.29688	2.4
87.57748	2.3
88.04021	70.0
101.02394	17.3
102.83475	2.2
113.06090	4.3
115.00328	19.8
122.20706	2.1
125.09689	15.6
126.01953	2.5
127.71813	2.3
131.07120	26.9
132.03012	20.7
135.08139	4.5
153.09210	38.7
171.10278	21.3
174.11304	2.7
197.05704	2.4
197.08144	11.6
214.10849	69.8
215.09233	27.3
224.06660	2.6
224.12819	3.9
224.87059	2.3
267.68594	2.4
268.12039	3.1
312.10864	16.8
330.11948	100.0
330.19177	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03449	1.4
59.01373	1.7
63.80479	0.9
64.67564	1.0
74.79255	1.0
77.67717	0.9
83.05006	1.3
88.83725	1.2
99.08135	4.4
107.83234	1.1
127.11243	4.6
129.09233	1.5
139.11269	14.7
155.10735	1.2
165.88560	1.1
169.83598	1.1
171.10248	33.4
183.13887	5.3
186.65300	1.2
201.11237	1.3
209.11780	1.1
211.13402	34.4
229.14394	18.7
251.02470	1.1
274.05023	1.2
299.16495	1.6
311.22137	1.4
329.14035	2.3
329.17209	3.7
329.23325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03440	1.5
65.84792	0.7
69.15758	0.9
71.35516	0.8
75.37560	0.8
83.83836	0.8
99.08154	10.9
121.10291	0.9
122.68285	0.9
127.11298	13.1
137.09702	1.3
139.11278	41.2
155.10698	1.3
157.12308	3.9
162.14296	0.9
162.40157	0.9
171.10249	78.8
201.11328	1.7
211.13347	1.6
293.21329	1.0
303.79846	0.9
304.04971	0.9
329.17798	5.8
329.23340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
54.27103	0.8
58.00592	0.7
59.01375	5.1
63.41731	1.0
77.88244	0.9
98.12582	0.8
99.08142	6.6
110.61671	0.9
129.09198	13.4
138.00983	0.9
147.73177	0.8
164.27686	0.9
169.12340	7.6
181.12268	7.4
183.13914	1.8
197.11836	3.7
199.13387	29.9
200.69746	1.0
211.13393	16.2
223.98901	0.9
227.12961	1.0
243.16135	1.1
250.38809	1.0
293.21304	3.4
311.22128	1.4
329.23337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
53.49136	2.2
53.56522	2.2
59.01386	2.1
67.26794	2.2
78.07146	2.4
78.12175	2.4
92.19312	4.6
99.08121	2.3
113.86752	2.6
129.09193	9.7
148.31432	2.4
169.12289	4.9
199.13397	21.7
201.11351	2.8
211.13376	15.1
285.18472	5.6
327.51572	2.5
329.17648	22.7
329.23349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
56.76396	0.5
59.01378	33.5
70.03378	0.6
71.10035	0.7
73.02942	1.6
85.19327	0.6
99.08138	3.2
115.07629	1.5
125.09731	2.4
127.11266	2.4
129.09203	3.4
139.11293	9.5
153.09227	1.1
155.10803	5.2
166.09897	0.8
171.10269	7.2
182.09424	0.7
183.10269	1.1
183.13896	1.4
185.11783	3.5
195.13927	0.8
197.11804	2.5
199.13383	2.5
201.14941	2.6
206.53636	0.7
209.11884	1.5
211.13411	3.5
223.17046	1.3
223.21165	0.9
229.14453	12.9
241.18140	0.7
269.17609	12.0
293.21283	5.2
299.22430	0.8
309.20673	0.8
311.22260	9.2
329.17169	2.8
329.23343	100.0
348.92532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
59.01377	3.2
78.72695	0.9
94.90452	1.1
99.08147	6.6
114.58681	0.8
122.56283	0.8
124.38763	0.8
125.09730	1.3
127.07613	1.2
129.09213	11.4
139.11305	1.8
169.12350	5.2
171.10295	1.5
181.12219	1.6
183.13997	1.3
185.11839	4.9
193.12291	1.3
197.11830	1.8
199.13405	18.0
209.11765	2.0
211.13412	11.7
227.12686	1.1
229.14429	1.2
293.21243	3.5
298.89215	1.0
311.22095	6.3
329.23349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
52.17122	0.8
56.96293	0.9
64.44210	1.0
99.08153	5.5
112.55918	1.3
125.09734	1.5
127.11261	5.6
137.71651	0.9
138.67821	1.0
139.11340	9.0
167.14459	1.7
171.10240	23.4
183.13863	9.6
209.11971	1.5
211.13403	43.2
211.15355	2.1
229.14424	17.1
229.29553	1.1
287.74130	1.1
293.21307	1.4
301.91586	1.2
319.18472	1.2
329.17468	3.0
329.23346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	Tianshic acid
Peak:m/z	Relative Intensity
61.06419	1.4
68.35174	1.7
73.91496	1.7
89.66424	1.6
116.52404	1.8
124.07729	1.6
125.09753	1.8
128.60020	1.7
129.72226	1.5
143.10767	15.5
153.12833	64.3
157.08698	18.8
171.13889	17.1
176.40617	1.6
185.11800	10.8
197.11832	79.0
215.12869	44.1
215.55779	1.7
249.75879	1.5
267.23309	13.4
329.23328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
50.45861	0.7
51.33805	0.6
82.06550	0.6
99.08139	1.4
111.08173	0.8
125.09740	1.6
127.11262	1.3
129.09229	3.6
133.07983	0.7
135.11797	0.9
139.11278	5.6
141.09233	0.8
153.12820	4.0
155.10863	1.1
155.14378	1.2
157.08696	18.7
171.10231	6.1
183.13977	0.9
197.11798	2.9
199.13396	4.0
201.14925	2.9
204.07697	0.8
209.11874	1.3
211.13412	1.3
229.14404	8.5
264.81302	0.8
267.17648	1.2
285.18649	1.2
293.21249	4.8
309.20880	1.0
311.22214	8.1
329.17816	6.6
329.23337	100.0
337.20477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82587	1.4
105.06650	1.5
108.31614	1.6
135.75467	1.6
141.54443	1.6
143.10735	7.5
153.12845	76.8
171.10269	3.0
185.11838	9.0
197.11832	100.0
201.11067	1.5
215.12875	50.4
267.17419	2.3
267.23312	8.0
285.18668	10.0
307.61346	1.5
311.22153	1.6
329.17398	4.9
329.23358	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2122
Annotation	methyl phomopsenoate
Peak:m/z	Relative Intensity
51.11261	1.9
56.68225	2.0
86.47559	1.9
119.48375	1.9
199.11281	11.9
243.87218	2.0
297.18588	100.0
329.20883	7.6
339.30194	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	329.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61593	2.6
53.20255	2.5
54.30524	2.5
59.01352	3.9
77.58524	2.9
83.78213	3.6
104.70382	2.8
153.90759	3.1
196.07899	3.9
236.66933	3.2
272.45261	3.6
297.18561	100.0
329.17453	14.7
329.23624	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	329.1971
Annotation	CHEBI:45412
Peak:m/z	Relative Intensity
54.74724	0.9
57.03440	1.1
59.01380	28.5
60.01082	0.9
68.65723	0.8
74.36172	1.0
87.04500	28.3
89.02517	0.9
112.27859	1.0
153.12804	2.1
269.17581	8.1
287.18643	100.0
329.19742	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64390	0.8
56.45348	0.8
59.01379	41.3
68.48696	0.7
69.72585	0.8
71.01362	1.0
72.98056	0.8
73.02942	4.6
78.96735	0.8
87.04501	30.9
95.19735	0.8
96.28013	0.7
101.02466	0.9
138.41693	0.9
153.12811	3.2
175.44948	0.9
177.05525	1.2
181.12292	1.1
228.75522	0.9
269.14627	0.9
269.17554	7.6
287.18643	100.0
329.19788	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1759
Annotation	Carnosol
Peak:m/z	Relative Intensity
58.98375	0.9
59.00729	0.7
59.01374	1.0
67.00080	0.7
67.21918	0.8
215.10796	3.5
241.90764	1.1
246.24419	0.9
271.13455	13.1
285.18588	60.2
301.18033	2.2
329.17590	100.0
329.23221	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	329.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
63.19873	1.5
71.81316	1.5
77.93948	1.4
82.84994	1.5
90.30492	1.5
97.06582	6.7
99.08150	1.9
102.21465	1.6
109.75614	1.5
111.08137	4.0
113.09623	2.0
125.09702	100.0
127.11275	1.8
129.09186	2.4
129.10677	1.5
139.11255	7.3
141.09229	2.2
153.46651	1.5
157.08690	3.1
159.10252	26.8
169.08658	2.2
171.10240	7.6
173.11775	2.3
185.11867	1.9
187.09718	21.9
199.13414	2.3
211.13387	2.3
229.14441	9.2
235.07262	1.7
267.17438	2.9
267.19864	2.1
277.13589	1.6
293.21262	3.2
311.22220	8.3
319.41354	1.8
329.19608	55.4
329.23364	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89372	1.6
59.01368	1.8
63.10612	2.0
65.04487	2.0
76.51673	1.9
104.57875	2.3
153.22568	2.1
171.10291	3.4
199.06160	2.6
201.11322	7.3
225.72627	2.2
284.14209	3.5
285.18607	100.0
299.16440	7.7
311.16504	3.0
329.17575	74.8
329.23361	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1759
Annotation	3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
Peak:m/z	Relative Intensity
55.74556	0.8
59.01384	0.8
65.13631	0.6
66.29725	0.9
67.27587	0.9
68.49853	0.9
74.99069	0.9
79.99140	0.7
82.20093	0.8
92.19950	1.7
119.20209	0.8
121.54653	0.9
183.13849	1.8
211.13332	6.5
215.10724	5.5
229.14426	5.1
286.58282	1.0
296.14178	3.1
299.16504	13.0
311.16553	1.0
314.15149	3.1
329.17599	100.0
329.23267	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	329.1758
Annotation	Carnosol
Peak:m/z	Relative Intensity
54.28547	0.7
59.01385	0.7
65.79812	0.8
73.65094	0.8
89.38394	0.8
90.41444	0.8
92.19399	1.2
103.40350	0.8
129.09193	3.4
148.36916	0.7
171.10258	0.9
181.12317	1.3
199.13353	7.8
211.13432	5.0
255.17607	1.1
283.16956	1.5
285.18527	5.0
299.16559	1.2
311.16550	3.4
314.15323	1.5
329.17560	100.0
329.23337	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	329.1759
Annotation	3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
Peak:m/z	Relative Intensity
50.55145	2.7
55.05922	2.6
62.03158	2.7
62.09184	2.4
103.05540	3.2
107.20019	3.0
142.87793	3.4
195.98300	3.2
255.13847	3.8
259.15457	4.2
283.16946	12.5
299.16541	19.5
312.96127	3.1
313.44974	3.8
314.15228	67.6
329.17578	100.0
329.23474	15.6
354.90521	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23528	0.9
54.95614	0.9
59.01380	100.0
66.34769	0.9
68.27089	0.8
80.41126	0.9
142.18166	0.9
156.22331	0.9
175.57959	0.9
207.14044	1.1
209.11815	1.5
225.14967	56.1
269.13916	18.4
329.16165	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	329.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08042	2.4
59.01369	16.8
61.99736	2.6
73.55801	2.6
74.23595	2.6
81.30505	2.5
86.53551	2.7
87.81810	2.7
92.19295	5.2
96.91414	3.3
185.82466	3.1
285.18466	4.9
329.17587	100.0
329.23251	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1757
Annotation	Carnosol
Peak:m/z	Relative Intensity
64.75455	4.9
76.16788	5.2
152.23549	4.8
167.84586	4.5
191.59119	4.8
229.14423	5.0
296.14111	28.1
297.18408	32.9
314.15277	24.1
329.14102	8.1
329.17618	100.0
329.23325	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49879	1.3
56.64011	1.5
59.48883	1.7
71.01414	1.7
79.04930	1.5
87.04515	1.5
96.95983	2.2
108.02132	1.9
121.02943	11.5
122.03761	2.7
131.03484	9.3
147.04512	2.5
150.03180	2.0
158.03693	9.6
159.04506	20.4
160.03995	3.6
160.05295	96.8
161.06079	27.4
164.04750	3.4
167.08771	1.7
173.06042	11.3
174.06770	6.1
175.07623	55.3
177.05571	10.0
178.06349	40.7
192.07944	9.7
304.88913	1.8
329.10699	5.1
329.13922	100.0
329.19824	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	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71378	1.3
59.01376	1.7
64.87334	1.2
80.84457	1.6
87.87658	1.4
88.93266	1.6
92.19344	2.2
94.65429	1.5
121.02933	8.1
122.03718	2.4
125.06062	1.7
136.05280	2.8
137.06108	1.8
138.74155	1.6
147.04543	3.2
148.05293	24.0
149.02367	1.8
159.04512	16.7
160.05292	83.5
161.06117	19.9
162.03241	7.6
162.06833	1.9
163.04044	6.2
170.71344	1.6
173.06067	6.4
174.06885	3.2
175.07634	44.1
177.05579	7.3
178.06349	25.9
180.04291	3.7
183.29747	1.9
186.07259	1.5
192.07938	6.8
193.08727	2.3
221.90932	2.3
281.08206	6.7
296.10565	3.7
299.12939	2.0
311.12869	2.3
328.87744	2.4
329.13931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23940	0.7
53.81931	0.6
55.79554	0.9
56.23148	0.7
58.71102	0.6
59.01367	5.4
59.13472	0.6
60.07380	0.7
75.25185	0.7
85.44728	0.7
87.00903	0.7
91.05518	10.5
109.06130	0.8
120.44172	0.9
121.02909	7.9
123.04425	0.9
135.04507	1.4
147.04506	4.9
152.12328	0.9
159.04475	1.6
163.03983	6.0
192.07927	1.1
210.88377	0.7
238.04082	0.9
240.04314	1.9
251.07155	1.8
267.09930	0.9
269.08188	91.1
271.09732	3.7
281.08157	16.6
283.09744	3.9
287.15201	1.3
287.18549	1.9
299.09250	60.6
309.14508	0.9
313.10986	1.3
314.11618	45.3
329.13907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1031
Annotation	Isoamericanol A
Peak:m/z	Relative Intensity
51.97760	2.4
59.01391	3.7
72.99299	30.2
73.87311	2.8
74.10075	2.6
75.21210	2.7
75.84270	2.6
91.42939	3.3
93.03451	4.6
100.97030	3.0
119.04987	11.3
135.04517	4.9
149.02376	6.5
211.07552	3.4
225.09076	3.6
237.09224	71.9
249.09218	15.8
253.08640	41.8
263.07037	3.8
265.08737	11.2
267.10440	3.2
267.48489	3.2
269.14011	3.7
281.08075	24.1
287.15051	4.4
293.08344	7.4
299.09256	100.0
311.09250	40.3
329.10019	6.1
329.16345	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	329.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71342	1.0
59.01378	100.0
71.01376	11.3
73.02931	2.9
83.01385	1.3
85.02936	6.8
89.71573	1.1
92.19471	1.2
95.01367	1.4
101.02407	7.9
107.05018	26.3
107.08657	1.2
108.09095	1.1
112.25206	1.2
113.02424	7.3
114.55058	1.5
116.07249	1.2
159.03011	1.4
161.04553	18.3
164.47607	1.2
186.99976	1.3
269.10190	2.5
285.12283	1.7
329.12158	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	329.0883
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
52.61166	0.6
59.01379	3.5
59.73728	0.6
61.27615	0.7
71.01369	5.2
72.99306	0.8
73.02937	1.7
81.28274	0.7
85.02923	1.4
86.75479	0.7
87.00862	1.3
89.02431	1.7
94.64474	0.7
95.01368	1.0
95.05012	1.1
96.95985	1.5
101.02428	3.5
102.98586	1.0
107.05022	1.3
108.02139	3.7
110.02438	1.6
110.68327	0.7
113.02419	1.7
114.05596	12.8
121.03042	0.8
122.03739	1.1
123.04513	100.0
127.58707	0.8
135.04512	4.1
137.00659	6.6
147.04504	1.2
149.02405	1.3
152.01132	3.1
161.04541	1.3
165.05489	0.9
167.03493	9.8
181.03221	1.0
199.04361	1.7
223.06194	1.2
223.10921	1.8
241.07074	1.8
249.12456	0.9
267.13541	1.7
278.48843	0.8
285.09839	19.6
329.08670	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	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65622	1.2
69.83575	1.4
71.01362	1.3
79.88697	1.2
95.50569	1.7
108.02165	43.1
114.05602	12.0
122.03709	19.5
123.04500	49.6
128.86211	1.3
152.01152	37.5
167.03485	100.0
329.08826	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	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99805	1.0
54.25742	1.1
58.39395	1.2
71.01353	2.4
75.71551	1.0
77.06728	1.1
78.95875	1.4
79.29977	1.3
86.93829	1.1
88.04033	9.7
108.02159	38.5
114.05570	9.1
115.00352	2.1
115.71054	1.3
122.03716	5.4
123.04500	27.2
135.04507	5.0
151.09671	1.3
152.01138	38.4
167.03482	100.0
170.11844	3.0
193.36723	1.3
196.09760	6.8
213.12460	6.9
214.10825	2.7
217.89850	1.2
249.12474	16.1
254.10448	1.5
329.04584	2.3
329.08212	40.2
329.13458	12.7
348.64990	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	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.76513	0.5
60.21270	0.6
62.40354	0.5
65.39834	0.5
108.02159	42.6
115.59242	0.6
120.16820	0.6
122.31029	0.8
123.04504	35.6
151.59561	0.7
152.01134	42.6
167.03477	100.0
267.86371	0.7
329.08792	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	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.07129	0.6
58.95573	0.6
75.52728	0.5
108.02164	40.7
109.02914	0.7
112.10352	0.6
123.04514	36.3
152.01146	41.7
167.03488	100.0
170.95961	0.7
171.79271	0.6
279.47894	0.7
300.37473	0.7
329.08829	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	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.08095	1.2
56.14808	1.1
57.01954	1.3
57.15941	1.1
58.99588	2.4
59.01089	2.7
59.01373	58.6
71.01375	24.7
73.02944	1.4
85.02934	6.7
86.98895	1.2
87.00873	1.6
89.02429	33.7
95.01358	2.8
95.31902	1.2
101.02410	19.1
102.98009	1.8
102.98583	24.8
106.17287	1.4
107.01326	1.5
108.02145	2.3
113.02437	12.6
114.05581	13.0
117.87444	1.4
119.03462	12.4
123.04504	17.9
150.03259	1.5
151.00349	3.2
152.01102	8.1
166.02678	8.4
167.03496	49.1
167.04799	1.7
170.08223	2.0
181.05037	8.3
194.02092	4.9
204.58060	1.5
209.04544	24.0
223.40207	1.4
236.77640	1.3
258.17770	1.3
260.54285	1.3
269.06720	5.8
285.14560	2.8
329.08759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	28.7
66.19480	1.9
68.58459	1.8
78.95924	2.0
87.34139	1.9
92.19354	2.3
103.98016	2.2
136.74107	1.9
143.01999	12.7
144.76007	1.8
145.95229	2.1
148.96333	2.4
153.49527	2.0
159.01472	96.3
166.27928	2.0
187.00970	100.0
201.02527	14.5
203.20393	2.7
329.02106	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	329.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
65.92514	1.0
72.99291	1.8
75.73308	0.9
79.95726	100.0
80.96510	54.3
80.97008	1.3
85.71738	1.0
101.02425	1.2
119.04998	7.0
120.99625	27.5
136.99132	55.2
163.04010	7.3
164.14955	1.1
164.98616	64.4
167.03464	1.7
182.99673	17.8
189.39922	1.2
223.06128	1.8
241.07182	10.1
243.12398	1.1
329.03375	35.4
329.08493	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	329.0812
Annotation	8-(3-Chlorostyryl)caffeine
Peak:m/z	Relative Intensity
51.82947	0.6
54.92767	0.7
55.24153	0.7
58.20413	0.7
59.01363	0.9
62.17582	0.8
66.32790	0.7
67.80701	0.8
71.01397	1.0
79.95728	3.7
80.96512	4.0
81.84878	0.7
92.19424	1.5
93.03368	1.0
93.57001	1.1
107.05010	4.0
108.02159	13.0
123.03651	1.5
123.04512	36.6
133.02863	1.1
135.04512	9.9
137.00598	1.8
149.02379	1.0
152.01160	11.5
161.02452	9.0
167.03477	29.2
213.99466	3.4
215.00221	3.9
215.67119	1.0
240.98112	3.8
249.12456	23.1
285.09760	3.7
299.10059	1.0
313.82751	0.9
329.08182	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	328.1038
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
58.02972	11.8
59.01366	5.6
59.97010	0.9
68.05045	1.7
70.02969	1.1
71.01366	14.8
71.61736	1.1
75.21947	1.1
76.75977	1.3
83.84895	1.1
86.33780	1.2
88.04025	95.9
103.21844	1.2
105.99120	1.3
112.03989	1.3
114.01956	1.7
115.00356	20.5
123.08134	18.6
125.06070	1.4
125.09694	10.8
132.03011	36.5
133.05423	1.4
133.06570	4.9
140.10793	2.6
150.09225	7.9
151.07616	12.0
169.08665	7.0
212.09271	31.9
213.07669	21.6
222.11319	6.7
248.09442	1.2
266.10294	2.4
284.11426	2.1
310.09308	26.6
328.10367	100.0
345.17856	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	328.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60918	2.1
71.01376	19.7
72.93936	1.9
73.02946	3.1
74.94806	2.3
83.05006	2.7
86.02460	11.0
87.00848	4.1
88.04039	45.8
115.00376	31.2
123.08137	3.7
125.06075	31.7
132.03058	35.2
150.09244	10.4
151.07668	3.8
169.08678	5.4
181.26828	2.5
212.09312	33.6
213.07520	4.2
275.64886	2.4
310.09467	5.5
326.59564	2.5
328.10382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03448	2.9
68.75010	1.8
92.19937	2.2
125.09711	10.1
135.45227	2.0
137.09708	4.5
157.08681	9.0
171.10222	34.5
185.11847	17.0
197.11836	7.5
201.11357	4.6
209.11833	4.3
221.11852	3.8
291.19727	8.1
309.20648	4.6
327.16013	18.7
327.21780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.254
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
61.16378	1.4
63.72426	1.3
64.22289	1.4
66.69357	1.4
74.28878	1.5
99.08144	2.6
145.08688	23.7
155.10771	55.9
171.10245	1.9
185.11917	1.7
199.09787	18.1
224.92018	1.6
227.16493	9.0
246.64667	1.7
255.19701	2.1
309.24301	24.3
325.23911	2.8
327.18546	5.3
327.21957	6.0
327.25409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61249	1.3
57.03445	1.9
57.26614	1.3
57.43346	1.3
59.01377	35.8
62.71534	1.5
71.64532	1.5
87.90076	1.8
89.13412	1.6
111.16531	1.4
113.09695	9.9
122.20742	1.6
125.09728	5.6
125.98846	1.4
127.11259	2.4
129.09189	16.7
131.74638	1.5
139.11272	38.5
141.09163	1.7
153.09230	2.7
155.10776	3.5
158.65578	1.7
169.12343	1.7
171.10248	12.5
183.10272	13.5
184.64883	1.7
185.11815	10.0
195.10182	1.8
197.11865	18.8
199.09755	1.5
201.11334	48.2
213.11331	17.4
265.21716	6.2
291.19675	6.4
309.20557	2.7
316.10361	1.8
327.21771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36642	1.6
61.87991	1.4
65.83479	1.5
73.02930	2.2
83.05031	3.6
87.97132	1.7
99.08127	6.0
118.82153	1.7
127.07669	2.3
129.09207	29.5
141.09207	9.2
141.12833	1.9
163.11301	2.5
165.12772	2.8
169.12297	2.6
185.11852	31.9
197.11841	40.4
209.11806	55.9
227.12839	3.2
249.58470	1.8
251.00786	1.8
274.87933	1.9
291.19675	7.2
309.20706	9.2
312.13614	9.6
327.15945	13.2
327.21771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.05888	2.7
69.98206	3.1
83.04996	6.3
86.37221	3.3
116.72827	4.1
121.09981	3.6
129.09201	15.7
129.96051	3.6
141.09224	6.9
155.10670	4.2
163.11246	7.0
171.10252	4.7
185.11841	20.0
197.11787	16.9
209.11818	100.0
210.47047	4.5
226.16339	3.5
227.12904	4.7
234.52965	3.6
259.83466	4.5
291.19644	4.6
309.20517	4.6
312.13666	8.4
327.15833	17.8
327.21732	70.5
329.32013	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80027	1.5
68.68038	1.4
99.08141	2.1
124.14645	1.5
125.31934	1.7
127.07662	1.8
129.09190	38.3
141.09232	10.6
150.41394	1.6
171.10258	2.6
185.11836	62.9
197.11839	49.1
199.13354	2.2
207.68158	1.8
209.11830	6.6
218.72681	1.8
247.20380	2.0
265.21594	1.8
291.19708	8.8
309.20660	7.1
327.21786	100.0
327.25674	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.72647	0.9
57.03432	1.3
71.93631	1.1
77.54618	0.8
85.02945	15.1
97.06555	2.3
119.44484	1.2
125.09676	1.5
128.66545	1.0
137.09695	4.5
171.10254	31.1
183.13898	7.2
193.12296	1.5
209.11879	1.5
211.13403	22.9
221.11871	5.1
229.14441	12.6
291.19669	1.5
327.21771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03445	1.5
58.00545	1.2
59.01366	6.5
87.04481	1.7
89.17192	1.2
111.08149	10.1
116.61987	1.3
122.89138	1.2
169.12343	2.9
171.10252	5.0
185.11835	1.3
195.13931	2.3
197.11819	43.9
199.13399	8.0
209.15521	1.4
211.13416	6.2
229.14400	1.4
239.16522	18.7
242.95775	1.2
261.15839	1.4
291.19659	4.9
309.20752	2.3
327.21774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
56.54325	1.5
63.76128	1.5
73.02940	2.0
74.52796	1.7
92.19351	3.0
97.06593	2.0
99.08144	2.2
127.11258	2.0
129.09203	41.5
141.09216	11.9
155.10764	26.8
165.12891	2.0
171.10291	11.7
185.11826	49.3
197.10168	2.7
197.11839	44.4
209.11707	3.4
247.20563	2.2
264.71500	1.9
271.74939	2.0
291.19550	14.2
309.20795	23.6
327.21750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1966
Annotation	3,4-Seco-Sonderianol
Peak:m/z	Relative Intensity
61.02518	0.4
66.04434	0.3
84.93004	0.4
94.36359	0.4
102.50127	0.3
107.98959	0.3
144.76364	0.4
151.97408	0.4
171.10278	0.4
199.11249	0.8
232.86511	0.4
237.12880	0.5
251.14430	2.0
263.14313	0.5
265.12259	3.3
272.90884	0.4
279.13882	2.7
280.14655	3.6
295.17026	100.0
327.19501	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61432	0.8
57.03437	3.9
59.01369	1.9
66.45515	1.2
71.01376	1.1
71.05000	1.6
74.59314	0.9
85.02941	17.1
85.06583	5.2
90.64348	1.1
93.24354	1.0
95.05029	1.3
97.06577	9.5
111.04530	1.1
125.06042	2.2
134.52821	1.1
137.09685	1.5
145.52487	1.0
165.12787	1.1
171.10257	7.2
181.30261	1.0
183.13896	35.4
193.12372	1.3
195.13875	2.6
211.13422	20.4
238.99695	1.1
251.16524	4.8
291.19675	2.5
309.20670	1.7
327.21750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.81953	1.3
61.90395	1.1
64.23071	1.1
73.02967	4.4
80.54727	1.5
112.05318	5.9
112.42448	1.5
115.07690	5.9
127.11329	5.8
129.09225	9.1
138.10698	1.4
141.09264	3.2
155.10774	100.0
171.10260	43.5
185.11900	8.6
197.11815	9.6
247.20770	1.9
265.12402	1.7
268.82935	1.6
280.14737	1.5
291.19812	9.2
295.13766	1.7
295.16998	43.9
295.20059	2.3
309.20743	21.2
327.21902	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08049	7.1
54.11779	7.8
59.69488	7.7
75.24760	8.8
92.51357	7.8
110.56786	9.7
122.27686	8.8
125.09692	12.1
153.12836	43.5
155.10791	17.8
166.87631	7.2
171.10191	19.0
183.77103	9.0
184.38544	8.0
197.11864	43.6
199.13362	22.1
228.06956	9.0
270.91925	9.2
272.44977	9.3
309.20636	12.7
312.13553	13.8
327.21909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1601
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
59.01365	0.8
59.60882	0.3
60.35992	0.3
63.59110	0.3
80.80886	0.3
88.52874	0.3
91.63972	0.4
107.55665	0.3
109.45224	0.4
111.90902	0.3
121.06620	0.5
170.97168	0.4
171.10211	0.4
197.11995	0.4
199.13347	0.6
227.12895	0.5
228.07430	0.5
230.27574	0.4
253.12448	0.4
255.17546	18.2
267.13876	1.4
268.14679	6.5
283.17044	17.6
299.16327	0.9
300.13477	0.6
309.20853	0.5
327.16013	100.0
327.21478	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1602
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
51.00029	0.3
57.03431	0.3
58.50222	0.4
59.70398	0.3
70.96252	0.3
85.02920	0.4
157.52679	0.4
159.10350	0.4
171.10231	1.5
183.13809	0.6
211.13412	2.2
229.14342	0.4
281.11948	0.8
281.15439	2.6
293.11905	0.5
294.12674	1.9
297.11395	0.6
297.14877	2.0
309.14981	4.2
311.12842	1.3
312.13721	11.8
327.16016	100.0
327.21530	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	327.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
87.98282	1.2
99.08140	2.2
113.09715	4.9
125.09688	2.7
129.09189	6.9
137.09680	1.4
141.09152	1.5
153.09232	5.6
155.10780	2.4
157.08693	5.9
169.12289	2.0
171.10242	7.4
183.66899	1.3
185.11830	8.3
197.11765	9.9
201.11333	14.9
209.11810	1.7
211.48529	1.2
213.11263	5.5
287.50696	1.6
291.19797	1.8
327.18076	1.8
327.21762	46.9
327.25598	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	327.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54569	0.6
57.03441	3.0
59.01377	21.1
59.39917	0.6
71.01360	1.2
72.99290	1.2
73.02955	0.8
73.34807	0.7
75.00880	5.1
84.16798	0.8
85.02947	1.1
87.00861	7.9
87.04503	16.6
89.02406	0.9
95.05006	4.1
107.05022	1.8
108.33726	0.7
109.06554	7.6
119.05002	43.0
120.05305	14.4
121.02914	1.6
121.05636	10.0
123.04507	6.0
123.08144	0.7
125.09699	1.0
133.06570	1.4
135.08151	67.4
136.64954	0.8
151.07620	17.7
153.09198	2.7
161.02342	0.8
161.06015	1.7
163.04001	25.0
163.07628	2.9
164.04335	5.4
165.04494	8.4
169.11893	0.7
177.01912	1.1
179.07173	7.6
189.05489	5.1
195.02994	0.9
195.06599	2.9
197.08127	4.8
197.11856	1.8
205.05042	3.4
217.01382	11.1
223.13464	5.6
227.09171	1.4
267.12396	19.0
285.13428	100.0
327.03696	1.8
327.07047	14.5
327.10315	2.0
327.14450	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53275	1.4
51.58540	1.5
59.01375	5.9
72.04539	10.7
82.02959	1.8
84.04545	7.1
98.76042	1.6
101.07197	3.2
109.04076	3.9
127.05113	51.2
128.03528	10.4
135.08118	1.8
137.09705	27.6
139.08725	17.5
145.06203	21.8
154.12395	3.6
155.10738	2.5
181.08694	7.9
192.92020	1.4
198.11252	2.3
199.09702	2.5
209.06062	2.9
219.91133	3.6
221.16574	25.6
222.82397	1.6
225.05568	16.8
237.05714	2.6
252.07863	3.4
253.05035	30.6
256.07355	2.8
267.06680	2.4
268.07242	5.6
269.04599	18.8
281.04590	10.4
282.05396	2.4
284.06943	7.9
296.06927	10.8
297.04056	74.2
297.07367	3.2
309.14713	11.5
311.05643	3.1
312.06439	27.6
327.08719	55.2
327.15536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	12.7
59.01382	100.0
70.45143	1.6
71.01374	26.0
72.18021	2.0
73.02939	71.8
83.01375	12.9
89.02427	3.7
101.02435	51.2
113.02429	10.0
118.03316	4.0
119.03563	2.0
119.05025	7.9
120.05327	3.8
131.03474	3.1
149.04512	2.3
161.04518	9.7
175.01396	1.8
221.06567	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	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
54.70668	1.6
59.01371	30.4
63.71650	1.9
71.01363	9.6
75.00878	2.5
87.10187	2.0
89.02444	15.6
89.64075	2.0
93.03465	2.7
101.02417	5.2
103.21206	2.2
106.18465	2.0
113.02443	4.8
114.15991	1.9
119.03468	2.5
119.04984	3.6
120.64881	1.9
121.02939	54.7
123.04506	100.0
135.78239	2.2
147.04503	56.5
165.05544	11.0
179.03380	2.0
283.08295	2.7
313.91379	2.3
327.10934	54.1
327.14551	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	327.0874
Annotation	Andrographin
Peak:m/z	Relative Intensity
50.66945	1.9
52.73460	1.8
58.27871	1.9
59.01362	3.9
59.68050	1.7
88.13242	2.4
101.13247	2.2
125.14145	2.3
158.92490	2.5
195.72621	2.1
197.06104	4.6
199.04950	2.3
209.06070	2.4
225.05588	25.5
236.04845	2.7
237.05536	12.4
238.06380	2.8
245.78711	2.2
252.07884	2.5
253.05003	42.8
256.07318	4.3
259.86545	2.2
268.07214	10.3
268.86478	2.3
269.04559	29.0
281.04562	17.0
282.05197	2.6
284.06836	8.9
285.17075	4.2
296.06879	14.7
297.04074	100.0
297.07410	4.8
311.05701	3.7
312.06412	41.4
327.08734	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1084
Annotation	Paeonoside
Peak:m/z	Relative Intensity
57.92221	1.0
60.63120	1.1
71.04996	1.1
76.93652	1.1
81.56673	1.3
106.04256	1.8
119.05016	1.4
119.56295	1.2
119.57407	1.4
121.06569	93.5
133.31161	1.4
140.42862	1.4
143.92001	1.3
147.04500	18.2
165.05548	100.0
192.18971	1.5
236.30771	1.4
327.10843	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	327.0874
Annotation	Grantionin
Peak:m/z	Relative Intensity
53.69443	2.0
112.63210	1.9
117.73866	2.1
119.04983	3.8
121.06524	2.5
127.05052	9.3
145.06221	2.2
159.40613	2.2
165.05563	2.4
197.06116	4.4
203.39070	1.9
221.16594	2.7
225.05508	22.6
237.05571	11.0
251.07140	2.5
252.07863	9.9
253.05043	41.4
256.07199	3.7
268.07352	11.3
269.04575	26.7
281.04572	14.1
282.05246	3.7
284.06857	8.0
296.06931	16.8
297.04056	100.0
297.07483	3.6
311.05615	2.3
312.06448	42.4
318.54333	2.0
327.08734	96.7
327.15079	20.5
331.61456	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	326.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46864	0.8
75.75987	0.8
125.67161	0.9
128.10754	1.2
130.08720	100.0
171.47478	0.8
172.12772	0.9
180.65617	1.0
326.19717	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91274	0.7
56.76634	0.7
65.72084	0.8
77.96407	0.8
128.99132	0.8
130.08719	100.0
151.11298	1.4
233.77513	0.8
326.16745	1.5
326.19736	39.0
326.23694	1.3
335.91266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79741	1.4
55.84888	1.9
58.02973	100.0
60.47503	1.4
60.84409	1.3
76.02254	9.2
78.48653	1.6
114.40294	1.5
118.03304	58.2
119.05000	77.9
119.05851	2.6
132.14990	1.6
140.30888	1.5
146.28703	1.7
162.02275	34.8
163.03999	6.5
209.00020	1.8
307.53226	1.6
326.03568	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	326.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37862	0.7
53.36960	0.7
70.52247	0.8
95.75397	0.8
128.10794	5.5
130.08719	100.0
131.08972	0.9
140.73477	0.8
172.09781	42.6
183.80554	0.9
188.23152	1.0
326.19754	10.7
347.12991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
77.06740	0.5
101.34965	0.5
102.05580	0.9
116.07141	5.7
130.08717	100.0
130.92708	0.5
158.08203	2.9
192.64673	0.5
205.66487	0.5
222.11343	2.0
223.09749	0.8
240.12366	2.3
243.64905	0.5
283.09641	1.2
311.09280	2.6
326.11697	3.0
326.16095	9.5
326.19748	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03167	0.4
62.26402	0.3
66.16833	0.4
74.25758	0.4
84.62860	0.4
97.99508	0.4
106.10058	0.4
106.37578	0.4
128.10762	1.0
130.08720	100.0
190.68646	0.4
252.19664	0.6
326.19745	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28677	1.0
58.02973	100.0
58.39633	1.1
76.01634	1.1
76.02243	6.0
85.55996	1.3
87.96838	1.2
100.38271	1.2
109.23393	1.1
118.03306	53.6
119.05002	74.8
162.02280	35.0
163.04001	7.4
282.07910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29329	0.8
59.01372	0.8
66.03575	0.8
69.05922	0.7
75.42236	0.8
78.65035	0.8
87.00860	39.6
98.02415	0.9
119.04997	5.4
120.05361	4.2
123.04533	0.8
140.35588	0.8
151.02226	3.6
152.01738	42.3
167.98764	0.9
173.34908	0.8
178.03320	6.6
180.76425	0.8
192.01164	1.1
194.02797	100.0
208.00723	1.7
220.04355	17.6
234.12776	0.9
236.03831	12.7
264.03329	20.9
266.01291	7.1
290.01459	2.0
326.03391	79.4
326.12347	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	326.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80843	2.2
57.97560	2.1
59.72239	2.1
81.17257	2.5
98.00687	10.8
119.05027	23.8
120.05344	21.4
128.07150	3.6
130.76416	2.4
134.04668	2.7
137.02487	3.0
151.03973	3.2
151.73061	2.6
152.04797	3.7
161.02443	3.3
162.03250	2.9
163.03996	4.1
164.04579	10.7
175.03839	3.2
177.05554	13.0
179.07095	9.6
187.06412	2.6
201.04343	5.3
202.05106	52.5
204.06667	72.4
216.06609	10.6
217.07448	100.0
219.09012	93.6
232.09782	98.4
234.02293	5.6
234.11320	40.1
249.04645	5.0
264.07001	22.9
276.13275	2.5
282.08154	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
80.83496	3.9
101.79544	4.1
111.95089	3.9
135.94498	6.6
158.23996	4.5
307.22769	100.0
325.18423	30.8
325.23840	70.6
326.14371	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.1
77.39687	10.1
78.15456	9.8
85.48321	10.5
88.11783	11.3
99.08156	13.7
116.17788	10.3
148.76891	9.3
183.01248	14.4
185.67569	11.2
191.89055	9.6
307.22681	18.5
317.56760	11.4
325.18015	36.0
325.23782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
52.30858	8.8
59.47560	10.8
79.73134	11.5
81.16681	9.9
275.16577	11.6
293.17593	23.4
312.92014	10.8
325.14883	100.0
325.19983	77.1
325.23883	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	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80284	1.5
53.40161	1.3
56.64648	1.4
84.79959	1.6
85.40491	1.3
97.02921	7.0
99.08150	36.7
109.06518	1.4
110.03719	1.9
111.21991	1.5
163.11296	16.7
181.12335	27.5
191.06728	1.6
207.10272	81.6
217.47240	1.6
225.11322	100.0
325.18381	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.42476	0.8
80.02682	1.1
81.03432	1.3
83.05028	6.8
115.07635	8.1
125.09760	3.6
135.08078	0.9
141.23532	1.1
155.10788	8.7
163.11255	5.6
165.12849	4.5
178.09938	4.8
197.11772	1.1
202.80391	1.0
207.10350	1.4
209.11827	100.0
216.03163	0.9
236.10574	1.3
249.09714	0.9
260.65799	0.9
279.19724	1.8
289.18057	2.3
307.19159	75.4
325.20392	11.6
325.23663	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	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
54.36592	1.0
58.95275	0.9
59.01360	1.3
69.21270	1.2
83.05019	6.4
106.47289	1.2
114.10184	1.2
115.07642	6.3
116.30635	1.1
125.09699	2.6
125.97982	1.3
127.07604	1.7
131.97583	1.2
132.00156	1.2
137.09766	1.8
142.39226	1.3
155.10754	9.4
163.11295	5.8
165.12881	4.4
178.09955	5.2
179.89636	1.2
191.10777	1.6
207.10240	1.9
209.11832	100.0
225.11253	1.3
228.44887	1.1
236.10576	1.5
253.07109	1.1
260.86917	1.3
262.90326	1.1
281.21191	2.2
307.19165	74.7
325.20267	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	325.2021
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03435	2.4
59.01357	1.7
63.23217	1.4
72.20910	1.6
76.85424	1.5
80.02309	1.8
87.04508	12.8
99.32790	1.9
108.91820	1.8
109.06615	1.7
119.05027	1.7
193.15965	10.3
210.59048	1.5
223.52632	1.6
237.14952	100.0
289.18097	6.6
307.19302	2.2
325.20221	82.9
326.27408	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11366	2.3
51.68336	2.6
55.99494	2.7
64.03089	3.2
70.19763	2.8
74.21702	3.0
75.52985	2.7
81.17989	3.3
83.05012	4.0
88.81472	3.1
99.08132	6.5
115.07611	3.7
127.07642	31.3
139.07671	4.3
155.10742	4.7
157.08876	3.6
163.11322	4.8
165.12842	3.6
178.10056	4.6
185.11823	35.2
197.11826	28.2
209.09868	4.3
209.11826	100.0
238.11972	4.3
256.13037	4.2
289.18008	3.9
291.72678	3.9
307.19159	95.6
325.20212	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31278	3.0
63.87585	2.5
71.01373	3.9
72.84426	2.7
73.90947	2.8
78.33297	2.9
84.02126	3.0
87.72057	2.8
90.55287	3.0
125.09727	5.4
127.07630	22.6
153.09177	18.1
155.10797	4.4
171.10287	12.3
184.11166	3.1
185.11835	26.4
197.11807	21.2
209.11832	73.5
216.34442	3.3
238.12177	5.1
256.13040	3.7
289.18115	7.3
307.19150	100.0
310.12262	4.5
311.31931	3.2
325.14301	20.4
325.20126	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74601	0.7
53.47200	0.8
57.03435	1.6
83.05013	1.6
97.06621	1.4
119.67586	0.9
125.09712	11.1
131.87697	0.9
137.09731	11.2
169.08681	1.5
169.12305	1.4
171.10274	4.2
178.70387	1.0
187.71529	1.0
209.15388	1.5
235.20630	5.5
245.19073	2.2
261.18665	1.3
263.20181	22.6
279.19647	32.8
281.21350	1.7
289.18069	6.5
307.19116	20.3
325.20215	100.0
327.78470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
54.32852	1.4
54.45819	1.0
57.03445	5.2
59.84340	1.2
87.04481	16.1
92.19974	1.2
95.00224	1.2
138.60861	1.5
193.15947	7.4
237.14967	100.0
249.15034	1.8
325.20206	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19680	1.6
54.48831	1.6
67.62093	2.2
74.99551	1.9
83.05002	8.9
84.02171	3.2
91.82896	1.8
95.05003	10.3
108.87882	2.1
109.06577	8.0
112.06307	1.7
113.06054	7.9
122.65250	1.9
124.61030	1.9
124.81905	1.7
127.07619	9.4
151.05907	1.9
163.11229	4.3
165.12808	4.0
185.11816	11.7
191.10817	2.8
197.11873	20.4
209.11839	100.0
211.13434	18.7
227.12907	7.8
238.12004	3.2
239.26965	1.9
289.18112	3.1
307.19183	58.8
325.20218	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57882	1.6
59.01371	2.3
85.06570	1.6
99.10925	1.6
116.77279	1.9
128.99237	1.7
281.11777	3.0
291.01413	1.7
309.11203	12.6
310.12103	66.1
325.14392	100.0
325.20197	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	325.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34325	1.7
52.79417	1.6
57.22712	1.8
99.37919	2.4
110.93547	2.0
119.16405	2.2
146.80043	2.1
194.04138	1.8
199.58418	2.1
212.25813	2.0
226.15421	2.3
265.16016	9.8
281.11700	2.4
295.09708	7.4
307.19116	4.9
309.11337	9.9
310.09045	2.9
310.12128	53.4
325.11377	4.0
325.14368	100.0
325.20248	10.5
327.44940	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	325.1446
Annotation	2-Carboxy-3,5-dihydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
52.51411	1.4
135.29860	1.7
135.64900	1.9
155.10771	2.1
175.11273	27.3
209.11778	10.2
239.14462	2.2
251.10707	2.7
265.12283	2.4
266.13147	24.1
274.49442	1.8
281.15482	100.0
281.47800	1.9
307.19040	7.1
325.14435	60.7
325.17841	3.0
325.20291	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32266	1.3
59.01377	100.0
61.98813	2.6
71.01371	7.2
73.02940	2.6
85.02961	3.1
96.08797	1.5
101.02409	3.3
109.02935	1.8
119.04996	8.0
132.50551	1.6
151.04018	2.1
163.03909	2.5
179.03470	2.6
179.82013	1.6
199.37019	1.6
266.15479	1.7
283.11948	3.5
297.67465	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	325.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97458	0.5
57.03434	0.4
58.99595	0.6
59.01382	3.9
78.37927	0.5
102.98586	4.7
109.86248	0.6
116.80650	0.5
119.04985	4.7
121.06575	100.0
130.08722	0.8
131.09038	0.8
163.03931	1.2
195.04886	3.8
226.32561	0.5
275.72208	0.6
283.15579	0.6
325.18222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
66.46236	2.4
71.01366	7.9
85.02930	3.2
101.02435	8.0
113.02425	2.4
119.04994	13.5
120.15272	2.4
140.82285	2.7
161.04515	2.7
219.71890	2.4
223.34781	2.3
283.11884	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	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
59.97982	0.3
62.76887	0.3
71.01360	1.8
78.99789	0.5
81.60000	0.4
89.02444	1.7
101.02444	0.8
109.00583	0.4
112.37566	0.4
119.05009	100.0
163.04001	30.2
313.10562	0.5
325.09329	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	325.0928
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
58.31499	0.6
59.79222	0.6
94.44003	0.7
95.66719	0.7
105.87272	0.6
119.05009	100.0
163.03996	57.0
224.74750	0.7
325.09470	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	325.0929
Annotation	(-)-Bilobalide
Peak:m/z	Relative Intensity
55.53230	0.4
55.71687	0.4
61.98941	0.4
72.99295	3.9
80.87055	0.4
87.38950	0.4
88.23168	0.3
92.19321	0.4
101.06042	1.8
106.04251	2.6
107.05011	1.3
109.06573	4.1
121.02934	3.3
122.00227	0.4
135.04523	1.4
136.05284	1.8
161.28490	0.4
163.11275	100.0
165.09268	0.4
165.12804	5.4
175.11179	3.0
191.10846	0.5
193.12320	9.4
207.10165	0.8
209.11859	0.4
219.10278	0.7
237.11351	4.2
251.09251	5.3
325.09317	4.9
325.12921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69752	0.6
59.01370	9.9
64.78475	0.7
64.80602	0.6
67.47185	0.6
68.99819	1.7
71.01385	4.0
72.99295	5.1
73.02958	0.8
73.66711	0.7
85.02948	1.8
87.00879	5.2
96.66553	0.6
96.99312	3.9
97.99632	0.9
99.00883	5.9
113.02447	0.7
117.01942	0.9
117.03444	6.4
119.05003	48.4
119.05840	1.6
135.04489	2.6
136.05307	1.1
145.02937	100.0
147.08240	0.8
147.75694	0.7
149.06042	0.7
152.07153	0.7
155.70880	0.7
159.08072	5.7
161.00963	7.2
161.02394	2.7
161.04520	5.5
163.02672	2.5
163.03990	41.9
163.88164	0.8
172.64757	0.8
175.07701	1.1
177.09227	1.6
178.05095	1.0
179.01991	1.1
179.05563	10.3
179.06830	0.7
193.08669	0.7
203.10858	1.5
214.35120	0.9
221.11914	1.7
256.69348	0.7
265.10886	1.7
281.06949	1.0
283.11868	6.8
325.09427	37.7
325.13028	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	324.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20134	0.2
54.69870	0.3
60.80568	0.3
62.29838	0.3
106.94237	0.4
130.08719	100.0
137.09721	0.5
146.31662	0.3
250.18257	0.6
257.36237	0.3
277.57870	0.4
324.18152	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50556	0.5
53.98553	0.5
59.01375	0.7
59.42739	0.6
60.01693	0.6
61.98837	0.7
74.16187	0.5
77.64862	0.5
84.28052	0.6
95.49838	0.7
100.04041	0.8
107.27679	0.6
118.34992	0.6
128.10823	2.9
130.08722	100.0
149.09691	1.0
151.07620	1.4
172.09764	1.6
193.08661	1.0
232.73410	0.8
324.14368	1.3
324.18164	33.7
330.46365	0.6
345.68539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
50.55696	0.6
59.01384	1.0
68.40440	0.5
71.01374	0.6
73.02943	0.7
85.02934	1.1
87.00866	4.7
87.46262	0.6
88.61185	0.7
117.01903	1.2
117.03431	5.0
119.04175	1.2
119.05001	26.9
124.50111	0.6
125.02450	0.5
131.09520	0.6
135.04489	0.8
144.38074	0.6
145.02939	100.0
159.03035	0.7
161.02457	1.2
161.04526	8.1
163.04002	29.4
179.05574	8.2
297.36694	0.7
325.09305	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29505	2.0
52.71973	1.8
54.93502	1.7
60.12152	2.1
62.87553	1.8
67.96172	2.0
74.48103	2.1
128.10825	3.7
130.08717	100.0
172.09778	70.4
176.70830	2.1
231.97412	2.2
324.18243	3.3
343.39355	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	324.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83722	0.3
59.01375	2.1
60.10847	0.3
68.99797	3.5
84.18748	0.4
90.14253	0.4
96.99288	6.4
129.56221	0.3
133.02940	2.6
134.03719	5.7
135.04530	4.7
137.02412	1.8
139.03987	0.4
148.00400	0.7
150.19867	0.3
161.02431	14.7
163.02756	1.8
174.25812	0.3
178.02713	1.4
178.05075	3.7
179.03503	6.2
236.05586	0.4
250.10840	100.0
259.80655	0.3
264.05164	1.8
292.32590	0.4
295.85806	0.3
324.07202	6.6
324.10690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2591
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
55.00063	4.6
58.68215	4.7
68.79935	4.6
71.01367	7.8
72.92641	5.1
85.48475	4.9
100.21750	5.3
103.03986	5.6
121.48240	5.9
189.34308	5.4
223.16972	22.1
224.80217	5.8
258.52127	6.4
305.24750	28.5
323.09796	11.8
323.25928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0725
Annotation	Midazolam
Peak:m/z	Relative Intensity
54.44597	0.9
54.76224	1.2
57.96859	1.1
59.01388	1.5
60.63753	1.1
65.88966	1.2
68.77664	1.1
68.99811	47.1
82.42310	1.1
96.99299	71.3
101.16881	1.2
104.46886	1.3
114.59715	1.2
133.02959	1.4
134.03729	1.8
135.04494	1.9
137.02420	1.4
141.99109	1.2
148.00412	16.1
149.04271	1.5
161.02390	7.3
163.02748	36.3
164.03543	5.8
178.05090	66.2
179.03522	3.0
190.01445	1.3
191.02229	6.0
200.47615	1.3
205.03795	1.9
206.00966	1.5
206.04576	1.9
221.03517	1.6
233.03276	6.3
234.04028	5.4
236.05629	8.1
245.78043	1.5
249.02711	1.6
250.10860	62.4
264.05115	25.6
309.04892	2.7
324.07251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14702	7.6
59.01355	10.1
59.96088	7.5
62.10990	8.1
63.21425	8.3
66.02220	9.3
67.10931	8.8
102.76941	9.8
103.39552	9.5
105.74375	9.3
113.02434	44.4
176.64162	9.7
223.88452	9.2
280.71820	8.7
292.39432	10.0
305.18094	12.8
305.21317	100.0
323.09814	41.2
323.22281	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	323.2228
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.00312	3.4
58.91879	3.3
59.01365	6.1
59.09602	3.1
60.95989	3.1
67.28464	3.6
69.35749	4.0
92.19971	3.8
113.02426	4.9
225.26620	3.4
261.22357	5.3
305.21201	100.0
323.09778	8.7
323.22250	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	323.2228
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.45481	1.1
59.01385	1.1
63.10500	0.9
71.01348	1.1
71.82919	1.2
87.31689	1.2
92.28017	1.3
109.06561	10.5
113.02448	1.5
184.81561	1.2
207.86800	1.4
223.05963	1.4
224.22026	1.4
243.97314	1.2
245.19099	2.9
261.22241	67.6
279.23303	58.1
305.21320	2.5
323.09601	2.1
323.22275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93433	10.3
59.01365	20.3
77.04568	12.9
92.00262	12.4
99.71532	12.1
119.12687	15.1
119.40983	14.3
141.50998	15.5
156.65968	13.6
217.07462	14.4
233.25476	14.0
305.21167	100.0
323.09558	19.3
323.22165	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
59.01369	0.9
123.61253	0.8
124.05247	1.0
165.12819	1.4
167.14412	0.9
237.14912	0.8
261.22153	6.9
287.20139	0.9
305.21210	100.0
323.22241	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41875	1.1
78.52403	1.2
106.47041	1.2
128.36288	1.2
146.84064	1.4
193.15979	2.7
237.14932	32.6
305.21353	6.5
323.22284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
59.01370	22.8
61.23972	13.4
71.01373	21.4
83.01403	19.5
103.01781	13.2
113.02452	70.3
209.11772	64.1
237.14984	25.7
276.24036	15.5
305.17468	20.9
323.09900	100.0
323.18588	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.3
73.46354	1.6
82.80354	1.4
85.79889	1.5
95.04996	1.7
95.68692	1.5
97.02933	12.4
99.08142	54.0
110.03735	3.3
113.02428	1.9
135.11810	3.6
136.05276	6.4
149.06030	3.1
149.09717	2.5
161.09700	7.1
177.09161	3.1
179.10756	58.5
186.20032	1.8
205.08650	11.1
223.09756	100.0
323.18561	10.7
323.21906	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	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53936	3.0
71.01375	4.2
71.75941	2.8
100.66641	2.8
113.02474	5.2
197.11856	4.9
209.11879	34.0
225.98038	3.3
261.22226	6.3
263.16098	3.3
286.04620	3.1
305.17575	32.1
305.21213	100.0
314.47052	3.1
323.09924	14.1
323.18762	9.2
323.22217	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01357	1.5
72.13406	0.7
75.00866	7.7
79.57900	0.7
85.02947	0.6
87.00867	1.0
89.02402	2.8
101.02464	1.3
101.07855	0.7
113.02428	1.2
120.12160	0.6
135.04530	5.1
136.71138	0.7
157.08420	0.6
200.94395	0.7
237.06241	4.6
323.04050	0.8
323.13391	7.7
323.17047	1.5
335.96631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
65.10325	0.8
65.41734	0.8
68.54707	0.8
71.01373	1.3
80.07838	0.7
81.04972	0.8
88.24437	1.0
101.02377	1.1
113.02421	1.0
189.88315	0.8
207.96361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98041	1.9
58.99600	16.6
59.01376	98.1
59.01670	3.5
67.21582	2.0
69.10330	1.9
71.01358	17.2
74.99089	2.7
83.15107	1.7
85.02949	3.7
85.56806	2.1
89.02423	21.3
95.01398	3.3
101.02401	20.1
113.02411	14.6
119.03502	4.5
133.57655	2.0
143.07137	13.9
161.08171	3.9
162.19356	2.3
263.09219	2.8
274.55869	2.1
290.18671	2.4
301.17346	2.1
312.35510	2.3
322.67703	2.3
323.13513	100.0
323.17410	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	323.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05731	0.5
59.01379	100.0
71.01373	1.2
73.02925	0.9
79.03131	0.6
82.43948	0.5
85.02950	0.6
101.02429	2.5
113.02446	0.9
126.62951	0.5
175.09822	0.6
196.52914	0.6
205.08858	0.6
230.84450	0.6
239.25745	0.7
263.14865	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35616	0.5
59.01377	1.4
69.03469	0.8
80.73720	0.6
87.00858	3.7
95.01349	0.6
97.06569	1.1
102.98591	1.4
102.99223	0.7
114.57956	0.6
116.91180	0.6
120.99717	1.0
121.06596	0.8
121.09521	0.6
125.09688	0.9
127.05191	0.8
145.06203	5.9
163.04013	0.8
173.10005	6.9
177.01880	0.8
189.09544	17.2
189.11096	1.2
191.10822	2.6
201.11302	19.7
217.09021	2.7
217.12379	1.0
235.10075	100.0
280.03687	0.7
305.10727	1.1
308.12473	0.6
323.11703	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99606	1.9
59.01369	2.4
59.48647	1.7
85.33398	2.2
87.00859	100.0
110.85399	2.0
122.03714	12.7
130.99846	93.8
132.00624	30.9
148.05309	3.5
162.06805	2.9
182.84935	2.0
191.10773	50.2
217.12268	8.9
233.11836	3.5
243.91687	2.1
254.04340	42.9
261.11160	3.9
323.11392	52.9
323.14984	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	323.117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82991	1.0
56.98011	4.9
58.99602	100.0
59.01375	56.6
59.01670	2.0
71.01366	12.7
74.06512	1.0
74.99084	11.0
78.37772	1.1
83.01395	1.1
85.02914	2.2
87.00863	12.7
89.02438	12.6
96.67566	1.1
96.95992	5.7
101.02444	12.9
113.02429	8.2
118.98081	1.4
119.03469	5.4
136.99123	1.6
143.03485	1.4
143.07124	8.2
145.06816	1.2
157.06889	7.2
161.04610	1.4
161.08127	4.8
175.07973	5.4
179.50031	1.2
193.09052	7.0
209.22623	1.6
263.09479	23.6
281.10629	4.7
323.04205	2.1
323.13712	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69242	1.5
59.01377	35.5
63.35190	1.4
71.01379	3.1
74.99088	6.5
84.70587	1.7
85.02932	2.2
87.00877	3.3
100.06825	1.9
101.02451	1.8
113.02451	11.1
115.40005	1.9
120.99660	16.8
122.02748	1.9
141.01978	2.6
159.02998	6.9
173.10054	15.9
173.17813	2.0
175.07968	72.9
183.10294	3.4
192.90053	1.8
217.09059	3.5
217.45428	1.8
235.10124	32.1
261.11435	3.0
263.09726	6.5
317.25824	1.8
323.11734	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	321.2434
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
52.30020	10.1
63.67728	9.4
65.11847	10.9
78.95901	15.2
96.96033	20.2
130.69150	9.6
197.11835	14.7
303.23343	17.0
321.21024	40.6
321.24380	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	321.2434
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
50.44535	0.9
57.03431	1.2
59.01372	7.5
60.44770	1.0
68.68039	1.2
69.61282	1.1
71.01363	2.0
93.54317	1.1
113.09725	9.7
143.21704	1.2
206.46164	1.2
221.15427	12.5
253.98207	1.3
303.23373	13.7
321.24353	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	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
56.81426	3.5
57.69168	4.0
59.01392	6.0
60.96389	3.7
70.60809	3.7
78.95881	18.3
96.95982	7.5
115.03956	7.1
122.87606	4.0
166.66505	4.8
184.99207	3.6
208.64421	4.4
303.23294	8.1
321.21341	11.6
321.24460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1136
Annotation	Methyl picrotoxate
Peak:m/z	Relative Intensity
50.47523	1.6
52.21585	1.9
54.89878	1.8
60.78711	2.3
61.20159	1.7
87.00863	100.0
92.19350	2.1
107.62995	1.9
121.02938	2.2
122.03737	16.0
130.99847	76.0
132.00639	34.0
148.05281	2.2
191.10788	46.3
217.12250	5.1
233.11894	3.1
254.04295	28.4
260.55386	2.2
261.11453	2.6
263.09293	3.7
293.60089	2.6
323.11368	70.9
323.15100	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	321.2434
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
53.94878	1.2
59.01384	6.2
71.01357	2.2
79.32136	1.5
85.53883	1.5
96.18264	1.9
112.05038	1.9
150.71519	1.5
175.61102	1.6
196.57234	1.5
197.11844	26.0
303.23239	18.5
321.24347	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	321.2435
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
55.85420	2.4
57.10451	2.6
65.23103	3.0
73.40524	2.7
78.95895	18.8
101.31567	3.2
113.09700	23.0
133.13994	2.8
137.92374	3.7
142.39630	3.5
177.53534	3.0
184.52946	3.2
229.23988	3.5
231.29776	3.1
278.73508	3.0
321.24500	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87220	0.9
59.01377	100.0
64.81422	1.0
69.03432	1.3
71.01364	2.4
78.94090	1.0
85.45174	1.0
89.02440	2.1
95.05006	3.9
110.02465	17.7
111.02804	10.9
128.03514	1.7
128.09438	1.0
129.03854	1.4
136.07718	3.0
144.99486	0.9
145.06573	4.2
171.08131	4.3
179.05603	1.3
199.03358	1.4
223.11224	2.0
241.05428	7.7
303.05453	1.7
337.53595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2435
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
64.71864	0.6
64.97569	0.6
81.99191	0.6
86.42439	0.8
89.93214	0.6
109.43731	0.7
161.85031	0.7
292.68768	0.6
321.24353	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	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
52.46348	1.9
59.01366	7.8
61.21840	1.5
61.42385	2.1
65.45855	1.4
108.98262	2.0
141.12895	2.7
195.13898	26.7
296.43723	1.7
303.23248	24.6
321.24368	100.0
330.06689	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	321.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01923	2.0
56.10918	2.1
57.03183	4.1
57.03449	90.8
59.01379	100.0
61.17172	2.0
70.23710	2.2
71.01376	11.4
73.02919	5.5
74.90309	2.7
83.01376	3.6
85.02948	11.5
89.02413	11.6
96.96000	2.5
97.02921	4.8
99.04517	75.5
101.02415	36.7
109.04044	10.5
110.02443	14.8
110.87437	3.0
111.00917	3.5
111.02815	14.9
113.02420	11.8
121.47424	2.6
125.02377	18.6
127.00690	10.7
128.03577	3.7
129.85977	2.4
135.01988	10.5
143.03423	3.1
161.04521	3.6
164.89502	4.1
170.99673	10.5
279.69998	2.9
321.04898	55.8
321.11862	54.6
321.15472	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	321.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53224	1.6
53.11330	1.7
56.77822	1.5
57.03446	85.2
59.01379	100.0
63.66356	2.0
71.01373	12.2
72.99297	2.2
73.02931	15.4
82.77917	1.7
83.01397	2.5
85.02904	2.6
89.02438	4.2
99.04504	91.4
101.02434	23.3
113.02449	4.4
125.02404	16.1
138.05562	3.8
143.03452	2.4
143.48589	2.6
249.47868	2.0
279.10950	4.6
321.11896	30.4
321.15262	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	321.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50808	3.9
57.03448	70.1
57.05870	3.2
57.33268	3.3
59.01379	100.0
71.01379	17.5
71.24519	3.9
73.02923	8.9
80.14556	3.6
81.41477	4.4
85.02956	5.5
89.02435	16.0
92.19367	6.3
96.95990	33.3
99.04505	69.3
101.02427	28.1
101.90066	4.0
110.02463	26.8
111.02794	21.5
125.02470	9.2
125.03548	30.2
135.04509	18.6
141.05591	5.1
146.91643	4.5
194.99690	37.2
241.05478	9.0
249.12262	34.5
249.84491	4.3
271.92133	4.3
321.04071	8.5
321.11789	64.2
321.15448	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	321.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01386	2.7
65.46911	1.0
68.07943	1.3
72.99295	37.7
82.02965	12.9
84.74481	1.2
107.43838	1.1
110.02465	6.6
111.02809	2.6
136.04048	4.5
138.05597	100.0
189.72644	1.1
216.10278	5.4
217.09744	1.9
229.06123	8.0
241.05461	2.7
242.08356	1.5
243.07605	2.8
244.08521	5.2
247.10898	10.3
259.10880	52.7
303.10004	2.5
321.10922	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	321.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59811	1.0
58.01291	1.1
59.01373	1.4
59.04302	1.0
67.01483	1.0
72.99290	33.9
82.02961	10.4
85.86135	1.1
91.32843	1.2
110.02483	6.4
111.00852	1.2
111.02802	6.2
135.04564	1.9
136.04065	2.0
138.05595	100.0
143.67921	1.2
216.10252	5.2
229.06195	11.1
241.05482	2.0
242.08167	1.2
243.07732	2.8
244.08531	5.4
247.10861	14.3
259.10880	52.0
303.05515	1.1
303.09818	2.0
321.10934	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01381	15.5
63.08345	1.4
69.95466	1.6
71.01372	8.3
72.99297	40.6
73.02947	12.4
82.02960	16.3
83.01339	2.4
88.09489	1.6
89.02456	3.5
90.99254	1.5
99.04526	1.7
101.02448	13.3
108.75025	1.6
110.02449	12.4
111.02797	10.2
113.02444	2.4
128.03517	1.7
138.04541	3.7
138.05598	100.0
162.03952	1.8
167.85637	1.7
207.83847	1.9
216.10187	7.2
229.06105	9.2
241.05521	8.4
242.08208	2.3
243.07625	2.0
244.08517	7.7
247.10814	17.8
259.10846	50.9
303.05579	2.1
321.11005	71.1
321.15323	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	321.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.5
72.99302	32.0
73.65093	1.5
82.02978	13.9
87.00856	1.9
90.98580	12.1
110.02464	8.2
111.02745	2.9
120.99625	26.0
129.91306	1.6
134.03737	3.6
135.04506	7.1
136.04057	2.0
138.05602	100.0
179.00209	3.1
185.72897	1.8
191.05464	2.0
208.10783	7.0
216.10231	4.1
229.06149	10.2
233.08769	1.9
237.01498	1.9
241.05658	2.0
243.07770	3.5
244.08443	2.1
247.10950	14.0
259.10883	50.0
303.09894	2.8
321.10846	73.2
321.14554	4.2
321.19049	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.7
63.47199	1.3
72.60369	1.5
81.96550	1.4
86.02454	7.1
87.00838	11.3
110.02455	100.0
111.00846	8.2
128.03510	17.4
158.06046	17.1
172.06134	2.7
173.02493	2.8
173.04807	48.8
184.04112	2.0
188.07147	17.9
192.37181	2.0
196.06142	2.8
198.05592	18.8
200.03619	2.3
200.07092	1.5
205.03760	7.7
223.79834	1.6
226.04999	15.9
230.08183	3.4
239.65231	1.9
240.05113	28.9
258.07727	6.4
260.05597	10.6
284.03912	2.1
284.64310	1.5
302.05145	10.1
320.07773	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25959	1.3
56.19891	1.3
58.15985	1.4
58.16403	1.4
58.99599	9.1
59.01373	16.1
60.88919	1.6
71.01392	1.8
80.10558	1.6
87.00861	2.0
87.33550	1.7
95.24775	1.5
101.02418	2.1
102.98589	41.4
104.52809	1.7
119.30453	1.8
129.07359	5.8
137.64806	1.9
139.07626	2.9
154.63605	1.5
157.08685	100.0
173.06400	11.0
175.46312	1.6
189.95697	1.6
191.07472	50.5
261.08014	7.4
279.09030	21.7
321.10138	51.4
321.13937	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	320.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08840	1.3
74.77739	0.9
81.79785	1.3
84.04549	1.4
86.02480	6.9
87.00880	1.4
96.95992	17.6
110.02467	100.0
111.00887	13.7
111.02867	1.1
128.03517	23.6
133.01422	1.4
146.04582	2.6
162.89366	1.3
172.06200	2.6
174.97656	1.2
175.61107	1.3
196.06219	2.3
206.64397	1.3
227.64154	1.1
240.05096	32.3
251.19843	1.3
259.98187	1.5
274.74472	1.2
284.04242	2.3
302.05237	10.1
319.91882	2.1
320.05597	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	320.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58826	0.6
55.99875	0.4
58.59964	0.5
78.38776	0.5
84.04552	0.8
86.02460	8.2
87.00887	0.6
102.05572	0.7
105.69804	0.6
110.02462	100.0
111.00861	8.5
128.03532	19.0
128.07152	0.9
139.69266	0.6
146.04591	2.2
152.07117	1.0
162.49138	0.7
172.06140	5.4
189.51906	0.6
196.06178	3.0
216.05156	1.2
232.36816	0.6
240.05156	27.8
243.83333	0.6
284.04141	2.7
302.05209	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	320.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
86.02475	6.9
107.81522	0.5
110.02461	100.0
111.00862	10.8
128.03523	19.4
128.07162	1.1
146.04585	3.3
152.07106	0.7
172.06122	5.0
189.67644	0.5
196.06140	1.9
216.05104	2.4
217.39268	0.6
230.57846	0.6
240.02701	0.9
240.05141	27.2
247.07971	0.6
284.04181	1.3
302.05164	8.9
304.16901	1.2
320.05786	0.7
320.19873	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	320.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10479	0.6
65.93272	0.5
85.02939	0.6
86.02470	7.1
105.87681	0.5
110.02466	100.0
111.00867	8.4
128.03529	18.1
146.04564	2.2
152.07201	0.6
154.05083	0.7
172.06161	5.9
196.06149	3.0
216.05093	1.4
240.05138	28.8
284.04169	2.4
290.82123	0.6
302.05161	9.1
320.05920	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	319.2278
Annotation	19S-HETE
Peak:m/z	Relative Intensity
59.01370	9.5
96.95532	1.9
99.08136	53.3
105.29072	2.1
106.88397	1.9
156.29338	2.1
180.41190	2.0
206.72073	2.1
219.13844	8.4
248.72911	2.0
319.22800	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	320.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26965	0.6
71.81601	0.6
73.49866	0.6
77.53907	0.6
86.02474	8.3
89.92372	0.6
98.90928	0.6
110.02460	100.0
111.00864	8.8
128.03514	18.4
128.07100	0.8
146.04550	2.5
152.07208	1.1
172.06078	5.7
196.06175	1.3
240.05130	30.0
240.07465	1.4
284.04065	2.4
302.05185	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	320.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64993	0.5
59.01373	3.0
60.96833	0.5
65.78011	0.5
70.48852	0.7
71.01365	0.9
72.12789	0.7
85.02930	1.0
86.02482	7.0
93.83976	0.5
102.05610	0.9
110.02461	100.0
111.00861	9.7
115.71172	0.6
128.02594	0.9
128.03526	19.2
136.55281	0.6
146.04578	2.8
152.07140	1.2
172.06184	6.5
196.06161	1.3
216.05106	1.3
240.05136	25.3
249.26639	0.7
255.36182	0.7
284.04099	1.1
302.05215	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	319.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66561	1.3
55.97091	1.4
56.74695	1.3
57.03442	3.9
59.01362	9.1
59.01637	1.7
59.46764	1.6
65.30711	1.4
97.06561	1.9
108.27576	1.6
113.09702	34.1
121.97968	1.6
139.11270	8.7
167.59427	1.6
171.32414	1.8
204.84839	1.8
221.15451	3.8
272.57178	1.7
319.22775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	15(R)-HETE
Peak:m/z	Relative Intensity
50.86095	3.3
59.01365	19.8
113.09677	5.8
175.14888	16.5
219.13907	22.4
254.65379	4.0
257.22745	17.8
301.21701	27.4
316.88702	5.3
317.80664	4.1
319.22757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.7
67.03365	1.4
68.42787	1.4
72.65959	1.5
83.05003	2.4
139.11252	1.7
191.58366	1.5
211.13412	7.3
275.23798	8.1
319.22797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	19S-HETE
Peak:m/z	Relative Intensity
52.22806	1.4
56.29560	1.4
59.01368	3.8
71.54613	1.5
85.70997	1.6
99.08156	39.4
219.13818	2.7
222.06566	1.8
239.37488	1.8
319.22797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	5(S)-HETE
Peak:m/z	Relative Intensity
56.90156	3.0
59.01373	8.0
61.44809	3.2
66.87165	2.8
118.26934	3.2
193.12312	29.2
219.17914	4.0
219.77852	3.9
257.22662	12.4
301.21741	26.8
319.22797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	19S-HETE
Peak:m/z	Relative Intensity
52.42270	0.8
63.05514	0.9
110.32655	0.9
114.17228	0.9
287.30399	1.1
319.22781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	19S-HETE
Peak:m/z	Relative Intensity
54.04034	2.5
59.01385	4.2
66.32623	1.9
71.36623	1.9
75.58282	2.2
92.19400	3.5
106.03825	2.1
134.91844	2.2
162.29579	2.7
221.15355	2.6
287.05307	2.3
300.33298	2.5
319.22791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	16.7
111.08146	4.7
127.07629	3.4
127.63090	3.4
155.07153	34.0
163.14934	31.4
167.10739	6.8
179.10756	5.4
257.22723	22.0
275.20239	6.8
283.20660	3.5
301.21701	28.1
319.19382	8.4
319.22797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
74.77244	3.2
84.95652	3.1
112.08777	16.0
136.05132	24.6
141.34889	3.3
150.00343	3.0
154.09813	18.4
163.12436	5.4
189.75348	3.1
205.12259	3.8
217.46904	3.5
299.20959	3.6
317.49924	3.3
319.21423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
77.76945	2.8
112.08791	7.7
136.05170	22.3
154.09898	7.4
163.12405	13.5
219.95349	3.1
220.01445	3.4
250.19229	4.5
276.20575	4.3
319.08142	6.4
319.21402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	19S-HETE
Peak:m/z	Relative Intensity
53.58772	1.7
54.02410	1.8
56.01341	1.7
56.83001	1.9
57.82414	1.7
59.01365	3.0
63.53975	1.9
68.67384	2.1
77.72272	1.9
139.20235	2.4
139.27876	2.2
233.47726	2.2
236.97130	2.8
297.09198	2.6
297.26129	2.4
319.19293	8.0
319.22748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61496	8.4
54.28388	7.3
59.01374	15.1
73.85209	7.5
99.08135	14.4
99.28911	7.6
128.43445	9.4
131.56323	8.5
191.16176	7.8
301.90997	10.2
319.19388	15.1
319.22693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42640	0.8
59.01376	100.0
77.60762	0.9
80.91682	1.8
92.19280	2.0
106.90284	1.1
111.08087	0.9
121.89626	0.9
131.05019	1.3
134.16527	0.9
140.92563	0.9
189.09470	1.4
217.13448	20.5
249.51190	1.0
259.15622	24.5
273.20740	1.3
318.96198	1.7
319.17822	2.5
319.21194	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03299	0.5
50.26771	0.5
51.79948	0.5
53.69671	0.5
54.00902	0.5
58.02970	5.3
59.01370	3.8
59.44593	0.5
62.03389	0.5
68.00156	0.7
81.04571	0.5
82.02972	0.6
93.04568	3.9
94.02966	4.0
95.02503	1.1
109.04035	0.7
112.08786	14.2
115.07625	2.4
125.07101	0.6
129.10294	2.6
134.09692	0.7
136.05151	27.8
145.33972	0.6
154.09845	17.7
163.12401	12.2
164.10849	5.4
165.77153	0.6
178.28644	0.6
179.11835	5.4
188.11942	4.0
189.10318	2.8
199.52397	0.6
205.12202	4.8
206.12996	3.2
217.13350	0.8
235.18192	0.8
250.19225	5.2
259.15573	1.0
273.20749	0.9
276.20886	5.7
277.19827	2.8
292.20389	6.8
301.20203	2.2
319.21396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.2
71.01358	0.9
73.02928	3.0
76.29555	0.5
80.91669	2.9
82.19007	0.6
83.62265	0.5
85.02921	1.2
91.87388	0.6
96.95982	0.8
101.02420	1.4
105.48537	0.6
108.47327	0.6
113.02412	0.7
115.07627	100.0
122.13027	0.5
129.09213	1.2
141.09184	0.7
157.08643	0.6
169.08662	2.7
174.03198	16.2
187.09695	1.2
189.05534	3.3
189.09511	1.3
203.07114	6.2
217.13361	2.2
231.06607	3.4
232.07327	0.8
245.25038	0.6
259.15576	2.9
273.20685	2.6
275.09259	0.9
319.08261	7.2
319.11713	1.0
319.21249	20.0
323.30347	0.6
337.92453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1394
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01879	2.2
59.01373	100.0
62.89948	2.5
65.67051	2.8
71.01373	44.4
72.99278	2.8
73.02938	15.0
75.00857	3.6
82.47085	2.7
83.01386	5.0
85.02936	28.7
87.00851	3.5
89.02414	43.5
95.01361	4.8
99.00866	5.4
101.02440	43.7
113.02433	30.3
119.03449	12.1
125.09684	4.3
161.04546	12.6
215.12813	4.4
219.12344	11.9
259.12006	22.1
275.14981	4.6
277.12933	3.7
319.14011	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2121
Annotation	7alpha,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one
Peak:m/z	Relative Intensity
50.82468	1.5
50.84930	1.2
59.01366	6.6
68.68097	1.6
73.68810	1.4
108.15500	1.6
110.50247	1.6
115.97120	1.6
219.33057	1.6
299.16714	3.5
299.20151	100.0
317.17542	6.3
317.21204	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	318.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.23625	0.6
64.95257	4.8
65.76189	0.6
71.01359	6.7
73.02930	0.8
76.71452	0.6
80.05083	0.9
83.12234	0.6
85.02920	1.6
89.02423	6.1
101.02434	5.0
111.05640	3.9
113.02447	9.7
114.05579	4.2
119.03496	2.9
120.04539	1.6
120.99619	1.3
132.18309	0.7
138.05598	9.3
143.03418	1.0
146.03233	0.7
161.04535	1.1
164.21869	0.6
168.06589	0.9
179.05524	2.2
183.07748	1.4
217.70064	0.7
249.64893	0.8
279.90381	0.7
281.16370	0.7
318.05850	2.7
318.12036	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	317.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94839	3.4
54.09222	3.3
59.01364	7.7
64.74540	3.3
65.59437	5.5
92.19911	8.0
163.11328	6.7
181.90868	4.0
184.55666	4.0
217.07246	8.7
244.86871	3.8
269.18930	5.2
287.20224	8.1
299.20163	93.0
317.17310	18.1
317.21115	100.0
318.08020	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	317.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52391	2.9
55.08620	3.3
59.01095	3.8
59.01364	22.4
68.15378	3.4
73.70151	2.8
80.63678	3.3
83.05008	3.3
98.88943	3.4
103.12489	3.2
119.95045	3.1
121.10158	5.5
143.14703	3.1
149.13319	6.6
169.77252	3.6
191.10713	3.6
193.12315	46.6
201.16562	5.3
255.21152	26.3
299.20221	29.8
317.21234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.2
61.90179	2.8
86.80534	2.5
157.60956	3.0
234.97537	4.8
236.27924	2.9
252.76547	2.9
299.20120	44.4
317.21255	100.0
322.64136	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60448	4.2
54.12428	3.7
57.03446	5.7
59.01369	23.6
59.48869	4.2
106.48739	4.6
113.09711	54.8
127.38700	5.0
133.93744	4.8
139.11250	17.4
165.12836	4.8
190.87463	4.3
234.97739	8.2
235.15248	6.9
261.87891	4.9
273.22299	6.0
299.20129	17.9
317.21243	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	317.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.7
65.68549	1.6
72.07243	1.4
73.94011	1.6
82.72776	1.6
129.53348	1.5
141.09253	2.4
152.47659	1.6
163.11252	7.9
164.55226	1.5
165.12810	9.7
179.10727	14.7
245.19038	2.4
273.22284	12.5
287.20059	6.2
299.20090	2.3
317.21213	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	317.2121
Annotation	Agallochin H
Peak:m/z	Relative Intensity
56.50085	0.5
59.01364	2.6
106.52244	0.6
110.03720	3.5
141.09195	1.2
148.07663	0.6
149.09694	3.2
152.63336	0.6
153.09221	2.3
161.31799	0.6
163.11276	8.5
175.11290	3.1
234.97549	0.8
299.20166	13.2
317.21222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.9
88.13674	0.4
120.93438	0.5
132.74103	0.6
137.35861	0.5
234.97466	0.8
247.37166	0.5
250.15266	0.5
299.20236	1.0
317.21201	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	317.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16121	5.3
52.45074	5.8
58.45542	5.5
59.01373	32.7
59.71405	5.9
67.26655	6.1
163.11263	9.6
172.55373	7.2
276.07947	7.6
317.05414	9.0
317.21268	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	317.2123
Annotation	7alpha,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one
Peak:m/z	Relative Intensity
51.44559	0.6
54.32886	0.6
55.38122	0.6
57.30724	0.6
59.01397	0.8
62.43943	0.6
64.11368	0.6
69.52917	0.6
85.51239	0.6
113.32014	0.7
114.03255	0.7
137.58365	0.9
157.08617	0.9
299.20154	100.0
315.21844	3.1
317.05655	0.8
317.17310	1.8
317.21118	15.5
317.23740	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	317.2121
Annotation	Excoecarin D
Peak:m/z	Relative Intensity
59.01381	0.6
64.02626	0.6
68.92179	0.5
77.40221	0.6
98.80677	0.6
114.01662	0.7
175.44292	0.6
179.91733	0.7
185.09412	0.6
243.17696	0.9
269.19040	0.6
283.68933	0.6
285.18683	4.4
287.20175	100.0
294.45764	0.6
299.20187	24.1
317.21216	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
59.01344	9.3
61.04521	2.5
79.98768	2.7
83.90956	2.4
87.41199	2.6
97.06567	57.5
159.04482	3.0
219.13823	3.4
237.14885	39.5
314.02606	2.6
317.21182	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	317.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.5
70.86073	0.5
141.39154	0.6
159.60242	0.6
166.90909	0.6
234.97446	1.1
287.20203	1.4
299.20129	3.3
317.05484	3.9
317.21204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	Agallochin H
Peak:m/z	Relative Intensity
53.15614	3.3
59.01371	28.4
71.89230	3.4
76.71202	4.1
97.06572	100.0
99.08122	28.9
116.92808	6.6
173.13354	5.6
182.12486	4.3
219.13943	6.3
234.97610	15.5
237.14983	15.5
238.14120	5.0
306.82141	4.1
317.21283	96.6
326.20517	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	317.187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02735	1.9
58.02979	37.6
77.23663	1.7
83.86970	1.5
97.55222	1.5
108.56628	1.6
121.68272	1.7
129.98488	1.5
199.43578	1.7
293.66321	1.7
317.05533	3.0
317.18729	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	317.187
Annotation	Huperzine G
Peak:m/z	Relative Intensity
58.02699	1.6
58.02975	45.1
64.16087	1.0
69.08377	1.1
96.40022	1.0
98.03709	1.3
122.67062	1.1
134.85593	1.0
299.17615	2.2
317.18695	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	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.7
64.80357	2.8
71.01373	3.2
71.05024	3.2
72.53051	3.1
72.99302	3.5
85.20860	3.1
98.20777	2.8
99.00865	28.5
101.14800	3.2
113.19653	3.0
125.09675	4.1
130.16756	2.9
153.12997	3.2
163.11247	14.0
181.12329	41.0
184.05362	3.3
195.20146	3.4
199.13429	67.7
200.04794	4.4
207.10223	41.5
225.09367	5.2
225.11340	65.1
227.12881	4.8
228.04234	3.5
233.68277	3.8
243.12401	43.0
257.13800	3.7
269.51843	3.4
275.14908	4.3
287.05792	10.9
317.06854	4.5
317.10455	6.1
317.16125	100.0
317.19620	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	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72879	1.2
53.35922	1.4
57.03438	5.8
59.01374	16.4
69.40379	1.3
71.01377	17.4
72.99295	3.4
73.02921	6.4
73.75529	1.3
75.00835	2.0
75.77818	1.2
80.76328	1.3
80.96510	2.2
83.04988	2.2
85.02943	2.6
87.00851	2.3
92.19347	1.9
95.04970	2.4
96.82172	1.5
101.02412	2.2
109.02969	1.5
110.98215	1.5
111.04510	21.6
113.06096	2.6
113.09710	2.0
117.01584	1.3
125.09737	2.7
125.82939	1.6
129.05548	3.1
139.03928	2.3
152.01265	1.3
157.05080	2.4
157.08582	1.6
167.79391	1.4
169.08688	2.4
175.06102	100.0
184.05278	2.8
186.61050	1.4
193.12421	1.5
195.10286	2.1
200.04686	3.1
209.11880	2.8
211.04128	1.8
211.13396	2.8
213.07668	2.3
213.10350	2.4
225.00746	3.4
228.04187	7.1
233.71446	1.5
255.12549	1.9
257.10236	6.0
272.03268	9.2
273.13470	16.5
287.05600	16.8
317.05566	16.6
317.12195	7.3
317.15985	33.0
317.19550	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	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74941	1.5
51.61145	1.6
54.27897	1.8
58.44998	1.8
58.94884	2.0
59.01382	15.6
59.01627	1.7
76.22993	1.7
80.83728	1.9
85.73129	1.8
99.00872	33.1
109.06596	2.0
125.09708	9.0
163.11189	7.8
181.12309	22.9
199.13466	41.5
200.29375	1.8
202.98656	2.1
207.10252	31.8
225.11319	100.0
243.12328	53.9
317.05719	3.1
317.15988	88.3
317.19693	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	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83342	1.1
56.69377	1.1
57.03438	1.3
58.02954	1.4
59.01366	2.7
60.02517	1.1
60.64651	1.2
71.05008	3.0
72.73219	1.4
77.21298	1.3
79.14389	1.1
84.15582	1.2
85.02925	1.5
92.19340	2.6
99.00859	27.8
110.03683	1.5
111.11982	1.2
124.12821	1.3
125.09688	14.6
155.14427	1.9
163.11275	20.1
181.12332	47.8
183.06248	1.4
184.05272	1.6
199.13393	55.5
200.04655	1.4
207.10274	59.2
209.11900	2.2
213.14807	2.1
225.11322	96.9
228.04306	2.3
241.14610	1.7
243.12360	58.0
257.14035	2.0
272.03378	3.0
275.15268	1.4
287.05768	7.3
317.16043	100.0
317.19232	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	317.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52874	0.9
53.66916	0.8
54.54215	0.9
59.01367	1.2
59.78793	1.0
62.84956	1.0
71.01367	1.4
73.02909	1.6
73.98302	1.5
80.96498	5.0
86.99095	2.6
94.98061	1.4
109.02960	4.6
120.99646	8.0
136.38197	1.1
139.00334	4.6
140.01141	68.5
150.03206	2.8
152.01132	1.2
153.01932	8.9
154.99901	2.3
155.03488	100.0
164.98521	1.4
165.05579	10.3
167.01721	15.7
177.05531	2.1
181.03323	2.2
211.04355	11.1
225.00685	2.2
229.05321	2.7
269.04785	1.5
281.04877	1.4
317.05002	13.6
317.09134	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	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19323	1.2
58.57342	1.2
59.01373	10.1
59.24437	1.2
59.55389	1.3
71.01370	2.4
71.32155	1.4
72.37534	1.4
78.02095	1.4
78.34475	1.3
90.86839	1.4
99.00872	15.0
108.52081	1.8
112.98514	1.8
125.09705	8.6
127.11286	2.5
139.00633	1.5
163.11298	8.0
180.35970	1.6
180.40222	1.6
181.12341	21.5
197.11795	3.2
199.13399	100.0
207.10237	34.7
225.11290	65.9
227.12909	7.0
243.12332	17.0
272.03073	2.5
286.24496	1.6
287.05710	5.6
317.10425	2.9
317.16071	98.2
317.19672	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	317.0665
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
59.01387	0.4
70.88090	0.5
79.05526	2.3
81.03474	1.8
89.62089	0.4
105.03439	4.4
105.19215	0.4
115.26445	0.5
119.46252	0.4
123.04510	37.7
149.01227	0.7
149.02426	19.2
167.03485	100.0
167.75626	0.5
299.20148	5.3
317.17441	1.7
317.20981	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	317.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78123	2.0
73.98309	13.7
74.99100	3.8
82.81485	2.3
86.99087	14.2
87.00853	3.0
120.99635	100.0
133.03076	2.5
139.00380	3.2
140.01164	73.8
144.03302	5.4
150.03174	21.6
151.03984	5.3
151.99333	13.1
154.02477	2.4
155.03499	98.8
162.03183	11.0
165.05550	63.6
166.00870	2.7
167.01711	74.1
177.05547	15.1
178.00986	2.9
181.03256	17.1
193.03297	4.6
196.09824	19.4
211.04350	43.7
213.06319	2.4
229.05429	39.4
230.74460	2.3
239.14258	2.4
252.23540	2.6
257.05161	4.8
269.04892	3.5
281.04962	5.5
317.06873	36.1
317.11853	15.6
333.77484	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	317.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80502	1.3
59.01373	9.4
61.52215	1.3
62.38938	1.3
76.72491	1.9
89.02469	2.6
102.61053	1.2
102.72013	1.3
107.63225	1.5
110.07757	1.3
143.05032	1.7
156.05817	5.6
171.04578	1.9
172.05255	11.4
183.04514	2.4
184.05295	42.8
199.03934	4.8
200.04776	33.3
211.03999	12.2
221.68057	1.5
228.04285	57.2
240.04292	5.5
243.06728	10.2
264.16916	1.5
272.03268	61.4
287.05627	100.0
317.06580	13.5
317.12259	3.5
317.15942	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	317.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55568	0.6
63.34187	0.5
64.81493	0.6
71.01374	4.1
71.05009	0.7
73.33079	0.6
75.77705	0.6
78.98567	2.8
79.95720	1.1
80.96504	30.3
84.50975	0.6
87.00858	1.2
89.43849	0.6
94.98073	8.4
97.02930	0.9
101.02422	1.2
101.30024	0.7
106.81362	0.7
106.98070	0.9
120.99613	1.0
122.97548	1.1
125.02398	3.4
134.97609	1.6
142.10347	0.6
146.80283	0.6
148.99133	5.3
152.98613	7.4
164.98611	14.3
178.69389	0.8
206.99707	2.3
224.22430	0.9
225.00725	22.3
239.67113	0.8
250.86017	0.6
273.09744	0.9
315.60519	0.6
317.05463	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	317.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13405	0.7
57.14014	0.7
59.62847	1.0
71.01383	3.3
76.85080	0.8
78.98579	1.7
80.96503	25.7
83.87544	0.8
92.52731	0.9
94.98066	6.9
97.02921	1.2
101.02416	1.3
103.13902	0.9
106.98100	1.2
109.95952	1.0
123.98160	1.1
125.02375	3.7
134.97568	1.7
148.99113	5.7
152.98605	5.3
164.98618	11.6
206.99710	3.5
225.00716	18.8
317.05463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2539
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
52.21191	1.1
54.52404	1.2
59.01378	100.0
65.86644	1.5
77.92020	1.7
121.72395	1.6
188.98528	1.5
202.03073	1.6
232.97513	9.3
240.96571	1.5
255.23299	1.5
265.80792	1.7
300.82593	1.5
315.19815	29.6
315.25366	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94289	0.7
61.48830	0.8
71.01373	19.8
71.85221	0.8
88.04028	34.7
97.06570	1.4
115.00352	22.1
132.02988	4.7
139.11278	62.7
156.13913	4.3
182.11792	1.1
198.12129	1.3
199.33533	0.8
200.12917	100.0
201.11330	26.4
210.15001	4.6
254.13850	0.9
272.15067	7.1
298.12979	3.9
316.14008	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	315.2329
Annotation	Nootkastatin 1
Peak:m/z	Relative Intensity
54.65062	0.4
63.39015	0.4
85.41827	0.4
92.19423	0.5
95.96735	0.4
111.58110	0.5
192.16913	0.5
259.53293	0.5
283.20673	100.0
309.77020	0.5
315.19913	1.3
315.22906	4.2
319.10532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2538
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
70.32421	0.9
71.59199	0.8
74.60500	0.9
104.35321	0.9
126.72134	0.9
127.11227	3.9
141.12842	5.8
143.10759	1.2
155.10695	1.4
163.07533	1.3
171.13942	1.6
201.11307	1.2
254.16690	1.6
269.19238	6.8
269.24915	1.2
279.23282	1.7
282.16275	1.5
287.20178	6.7
297.24347	16.9
313.23865	7.9
315.19879	21.9
315.25385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.2
59.53703	0.9
66.09404	1.0
81.96731	1.0
127.11264	1.3
141.12840	2.2
155.10738	1.3
171.10316	1.2
171.13763	2.0
187.76529	1.2
201.11378	1.4
265.05478	1.0
279.23297	4.4
280.63388	1.0
294.55322	1.0
295.22632	1.3
297.24335	11.4
299.83444	1.1
313.23868	14.6
315.19992	11.6
315.25388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46710	0.7
59.01378	4.5
60.03539	0.6
62.17963	0.8
65.27905	0.8
65.71644	0.7
75.53554	0.7
81.30806	0.8
82.20367	0.7
83.04985	1.1
99.08154	4.5
111.08138	4.4
127.11379	0.9
129.09207	12.2
141.09213	1.3
141.12849	1.1
153.12854	1.1
155.10735	4.3
157.08723	1.1
167.10793	3.6
169.12367	0.9
171.10197	6.1
183.10228	4.5
185.11829	13.2
197.11855	10.7
215.12810	1.3
279.19708	4.2
297.18265	1.8
297.21118	1.4
315.21771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71105	0.5
56.07266	0.5
57.03442	0.7
57.45512	0.5
58.69188	0.6
59.01372	3.1
63.08822	0.6
83.05014	1.1
84.27721	0.7
85.29073	0.6
95.64550	0.7
99.08146	6.5
111.08144	10.2
113.08113	0.6
113.09704	1.5
113.93430	0.6
127.11269	1.1
129.09203	9.7
139.11223	3.1
141.12862	0.9
157.08704	2.8
171.08981	0.7
171.10252	5.3
171.13902	0.7
183.10229	3.4
185.11835	6.6
187.09735	0.7
187.13434	0.9
195.10201	0.7
197.11919	2.6
215.12856	4.7
235.20663	1.0
279.19708	3.7
297.18481	3.4
297.20929	3.1
315.21802	100.0
332.47937	0.7
336.15417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07726	5.4
59.01381	23.2
69.13964	5.1
80.79375	5.0
95.75272	5.1
97.18045	4.7
129.09187	13.5
144.78102	6.0
155.10762	13.2
185.11844	30.6
197.11797	9.9
232.97522	9.3
297.18408	42.3
315.22012	100.0
339.14139	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	315.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41503	3.8
59.01371	8.3
76.76911	4.4
99.08141	10.6
100.35559	5.3
129.09196	7.4
137.22318	6.3
155.10728	7.8
165.30148	4.8
171.10280	5.0
185.11873	20.3
197.11839	9.6
285.18610	28.4
287.19989	7.8
297.18539	36.6
315.15717	7.2
315.19141	35.4
315.21759	100.0
319.55518	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	315.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25711	0.4
59.01398	0.9
78.55924	0.5
92.19939	0.8
139.24617	0.5
139.85139	0.5
199.73579	0.5
315.19675	100.0
332.20953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20883	2.4
53.40242	2.3
59.01373	29.6
71.01376	35.3
73.02927	11.3
78.73376	2.7
83.01376	4.0
85.02935	18.3
89.02420	12.7
92.19980	4.2
95.01378	3.8
97.82056	3.1
99.00808	2.6
99.08141	11.2
100.70956	2.7
101.02438	20.9
111.08121	4.5
113.02438	15.2
113.09715	3.5
151.11253	2.8
153.12813	6.0
157.08649	11.9
158.17490	2.7
159.24214	3.0
161.04533	5.4
169.12369	11.2
188.17448	3.0
197.11861	55.1
215.12819	25.8
297.18567	15.1
315.21902	100.0
337.10962	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	315.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23018	0.6
54.22499	0.6
66.46786	0.8
66.73487	0.7
92.19965	0.8
135.93024	0.7
138.69490	0.8
139.00563	0.8
300.17398	0.9
315.19675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21866	2.0
54.39155	2.1
57.41417	2.1
59.01377	10.8
63.47067	2.1
82.55400	2.6
92.19442	2.9
98.67471	2.5
122.59269	2.4
199.11287	3.6
232.97443	5.1
241.15964	100.0
271.16946	4.1
285.18796	3.1
297.18478	15.6
315.15952	4.7
315.19614	92.5
315.25171	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.197
Annotation	Cespitularin F
Peak:m/z	Relative Intensity
57.04931	0.7
57.74732	0.7
59.01371	1.1
59.31551	0.6
59.33226	0.8
60.20810	0.9
113.09682	1.2
118.90812	1.1
139.11252	1.4
153.12775	1.3
157.08739	1.9
169.12337	1.3
179.93761	0.7
197.11855	11.4
206.58858	0.9
215.12898	6.7
279.17764	0.8
297.18594	100.0
315.19452	15.8
315.21988	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	315.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20644	2.6
56.75258	2.6
59.01374	7.3
74.86085	2.6
85.16102	2.8
116.29585	3.2
126.53481	3.2
135.12935	3.2
183.83072	3.0
197.79932	3.3
263.06244	3.2
285.18588	5.6
287.20078	27.8
315.19675	100.0
328.41852	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	315.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22417	0.5
59.01379	5.2
62.53874	0.5
62.68630	0.4
62.70271	0.5
73.87749	0.5
84.08319	0.5
91.99947	0.5
114.78938	0.5
128.47736	0.5
132.32729	0.6
179.84335	0.5
269.19153	2.2
285.18445	0.7
297.18588	0.7
299.16638	1.9
300.17258	5.6
315.19675	100.0
315.24960	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	315.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64387	0.5
59.01359	2.7
63.03517	0.5
63.06589	0.6
66.59466	0.6
68.75757	0.7
82.77724	0.7
95.44952	0.7
117.26958	0.6
127.15372	0.6
139.84187	0.6
142.77525	0.7
227.14250	0.9
232.97487	0.8
263.14395	3.3
264.15140	4.7
279.17535	10.6
281.15582	1.3
297.18597	100.0
315.16019	1.0
315.19656	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32317	0.4
130.45427	0.4
139.66045	0.4
140.29948	0.3
152.74475	0.4
216.82478	0.4
315.19659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1964
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
59.01380	9.6
78.95889	4.4
228.42444	4.3
232.97647	4.8
285.18549	29.0
297.18570	18.6
315.16318	7.5
315.19626	100.0
315.25232	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	315.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.3
66.78047	2.8
91.50615	2.7
106.52218	3.6
132.93906	3.8
141.12828	3.3
175.12209	3.1
246.16672	3.2
268.33777	3.6
269.19000	6.8
287.20108	13.8
290.50787	3.4
315.19696	100.0
315.25067	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.1
62.80508	2.3
77.80260	2.3
81.36346	2.3
83.53725	2.7
85.77843	2.8
92.36003	3.1
207.59833	3.5
221.60159	3.3
232.97522	5.5
251.16496	3.1
271.13385	12.7
285.14972	4.4
285.18369	4.0
297.18588	100.0
315.15997	70.1
315.19656	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	315.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25638	1.1
57.19062	1.1
59.01375	7.8
81.03468	3.2
83.05019	19.9
87.11001	1.4
92.20036	1.5
107.88998	1.4
116.04793	1.4
187.13428	8.0
232.97610	2.8
259.48923	1.3
283.16818	1.4
285.18665	2.0
297.18457	2.0
315.19717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21291	1.5
54.44227	1.7
59.01366	10.6
66.81245	1.8
84.25183	1.7
87.77711	2.2
92.19386	1.8
105.36707	2.2
122.94949	2.0
232.97453	2.5
241.47440	2.0
285.18518	25.2
287.28030	2.0
296.26230	1.9
315.15912	3.3
315.19608	100.0
316.04712	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	315.1815
Annotation	CHEBI:67324
Peak:m/z	Relative Intensity
51.37471	1.7
53.11909	1.6
57.03442	3.1
59.01365	10.9
59.16325	1.8
64.50491	1.6
70.42503	1.8
76.82174	2.0
83.05019	4.6
97.06573	4.1
97.15131	1.8
103.41660	2.0
111.07358	2.9
111.08138	88.5
123.08167	2.1
125.09703	79.9
129.09180	3.7
141.09113	2.4
145.08690	8.1
159.10260	30.4
173.08162	23.6
187.09744	29.6
232.97472	3.0
243.19679	2.8
253.18150	3.8
273.20535	2.2
285.18652	2.9
297.18796	20.8
315.18140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
76.20348	0.5
80.66656	0.5
82.76921	0.5
96.98991	0.5
102.97115	0.5
185.18015	0.6
215.14432	1.2
285.18588	26.4
299.16364	0.9
300.17203	2.6
315.19662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1963
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
59.01361	3.1
66.59757	1.4
72.41248	1.7
77.51132	1.4
98.60790	1.6
99.13157	1.6
109.37769	1.8
201.92017	1.6
228.90694	1.7
269.19043	2.7
282.16229	18.9
315.19687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.7
65.75947	6.8
138.98770	6.6
151.55908	6.6
167.79439	8.0
271.17154	8.4
285.18604	100.0
297.18445	54.1
315.15848	24.9
315.19641	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81184	0.7
50.82003	0.8
51.30844	0.8
59.01351	1.6
61.13371	0.8
77.32444	0.9
115.59100	0.9
127.07790	0.9
141.30547	0.8
145.66170	0.9
203.79086	0.9
215.12885	3.4
285.18503	3.4
287.20197	1.0
297.18506	1.6
315.19656	100.0
315.25430	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	315.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27702	1.4
51.42329	1.6
58.80888	1.4
59.98531	2.3
61.78815	1.6
69.88815	1.9
73.29462	1.9
74.00449	1.6
80.12105	1.5
80.70835	1.4
85.73357	1.7
92.19385	2.3
97.02946	49.7
98.03711	20.3
99.04494	3.3
105.08199	1.8
106.03004	1.7
111.80025	1.8
121.02957	2.7
144.04465	1.9
149.02451	2.7
166.81551	1.8
198.09251	4.4
200.10887	2.8
201.10294	24.2
202.11156	3.2
204.57231	2.0
212.10748	2.7
213.07614	2.0
213.11664	2.1
213.69937	1.6
213.88866	1.9
217.13434	23.3
225.48108	1.7
226.12430	7.3
241.13376	3.8
242.28896	2.0
255.15012	10.0
256.15790	10.7
271.18210	11.2
300.14807	94.3
315.13809	4.0
315.17191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09444	4.1
55.01885	6.8
57.03441	5.0
59.01371	84.9
63.31704	4.5
71.01376	100.0
73.02932	23.0
83.01376	13.4
85.02939	58.6
89.02441	32.4
92.20002	9.2
95.01396	6.8
99.00864	8.6
101.02434	49.8
106.44958	5.2
113.02437	31.3
161.04524	35.0
185.10063	13.3
192.61681	5.6
198.06865	11.7
206.42276	5.5
271.13336	24.0
285.18530	7.2
315.12283	23.3
315.16003	25.1
315.19391	27.7
315.22183	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	315.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	28.5
71.41722	4.8
102.52255	5.2
125.09713	43.2
125.10518	4.8
145.08698	29.3
187.09734	55.8
232.97435	8.2
315.19818	100.0
315.25470	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1451
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
58.00217	0.3
59.01379	0.7
68.49892	0.3
68.94080	0.4
69.03441	1.6
70.56454	0.4
71.01371	0.5
71.05003	0.8
75.33037	0.4
89.02429	0.5
91.04028	1.3
101.61661	0.4
121.77699	0.4
123.08116	0.5
125.09727	0.9
151.11275	0.9
153.12834	2.5
161.09712	3.2
179.10796	9.3
197.11836	100.0
223.09686	0.8
241.10840	7.7
315.08765	1.1
315.14529	35.9
315.17914	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	315.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98515	2.0
63.14075	2.2
65.81253	2.1
66.48542	2.0
77.30785	2.5
97.02928	61.0
97.48701	2.8
98.03722	19.7
99.04501	4.1
110.33758	2.2
148.76074	3.8
163.23761	2.6
186.07976	4.0
199.96693	2.8
201.10382	22.4
202.11121	3.8
212.10968	2.9
213.11568	3.7
217.13451	25.0
226.12372	14.2
241.13483	10.0
255.14973	11.4
256.15756	11.5
271.18161	12.3
277.63403	2.6
300.14810	99.2
315.17133	100.0
327.08228	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	315.1715
Annotation	Neoselaginellic acid
Peak:m/z	Relative Intensity
50.28770	1.8
53.50338	1.7
58.29130	1.8
61.55486	1.7
64.47083	1.8
71.38976	1.8
71.60346	1.9
72.88255	2.0
73.89859	1.9
89.81714	2.5
97.02938	49.6
98.03711	15.8
99.04527	4.2
115.80936	2.3
158.06099	2.4
164.45860	2.0
186.08032	4.3
187.08798	2.5
197.08372	2.5
198.09254	2.6
200.10789	3.6
201.10326	20.1
202.11034	2.6
212.10793	3.6
217.13382	16.0
226.12404	8.8
241.04974	7.8
241.13538	4.5
255.15126	11.3
256.15778	12.4
271.18283	7.3
300.11618	4.3
300.14807	81.6
315.08875	7.5
315.17203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05145	1.8
56.48186	1.8
56.76558	2.3
57.30520	1.8
86.20353	2.1
87.99722	2.3
97.02944	53.2
98.03736	25.6
186.07968	2.3
198.09236	5.7
201.10324	31.0
202.11154	4.6
212.10841	3.0
215.11855	2.4
217.13440	24.1
226.12413	10.1
241.13461	5.2
255.15053	13.8
256.15833	12.6
271.18173	10.9
300.14798	95.6
315.17157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
59.01371	11.7
65.96664	1.1
71.42620	1.0
73.02932	1.1
75.05626	1.2
96.46841	1.1
97.06556	2.5
101.02428	26.0
101.62190	1.2
123.08149	21.3
123.66592	1.3
125.09710	18.8
133.06540	1.7
141.09262	1.3
151.07613	25.1
165.12784	6.6
169.08643	19.1
171.10320	1.2
195.06580	5.3
213.07674	100.0
217.69080	1.2
248.23103	1.2
253.10806	10.4
283.08313	1.1
315.11008	8.4
315.14313	1.8
315.56674	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	315.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
59.01371	11.6
60.42987	1.0
70.72179	1.0
71.01371	1.1
83.04977	1.3
93.88633	1.2
96.68283	1.2
97.06524	1.4
99.04462	1.3
99.53059	1.1
101.02431	17.9
122.06071	1.4
123.08127	21.3
125.09692	20.0
128.03513	2.2
129.03886	2.5
141.09181	2.6
142.09511	1.4
151.07625	27.9
165.12799	6.3
167.07158	1.5
169.08681	14.9
183.91832	1.0
195.06659	5.7
202.23065	1.4
213.07683	100.0
253.10844	10.7
280.94403	1.3
315.10489	4.2
315.13953	5.0
315.17621	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	315.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
59.01387	9.1
71.01369	8.4
72.04555	10.3
73.04878	1.3
75.00835	2.2
80.96464	1.3
88.04014	11.5
89.04370	1.3
92.19286	1.5
94.24113	1.2
95.84635	1.2
96.81722	1.3
97.06573	1.6
100.89543	1.3
101.02441	20.9
115.00335	8.5
120.99635	1.7
123.08161	21.7
125.09698	17.6
133.06572	1.3
141.09151	2.0
151.07637	23.8
154.12355	2.7
155.10764	5.2
155.12752	3.0
156.11081	5.6
161.55360	1.4
165.12852	8.5
169.08664	18.3
169.09830	1.6
185.53535	1.4
195.06627	7.0
198.11423	3.1
199.11664	11.0
200.10135	2.8
209.11751	2.6
213.07692	100.0
253.10732	10.5
255.06645	9.3
271.13409	1.8
273.13379	2.5
311.83182	1.4
315.05060	2.5
315.12616	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	315.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49158	0.9
51.31718	1.3
53.16162	1.0
57.03427	1.1
59.01371	1.3
69.03461	1.3
91.03986	1.2
92.19421	1.8
121.02898	1.3
151.95601	1.2
179.10770	4.9
197.11830	100.0
203.15718	1.1
241.10818	7.1
285.11346	19.3
297.11234	2.5
311.37289	1.1
315.14529	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0873
Annotation	Philenopteran
Peak:m/z	Relative Intensity
59.01368	2.0
83.99554	1.6
93.03485	2.0
96.69246	1.3
104.56481	1.4
120.99630	3.7
121.02918	8.6
134.50323	1.8
169.06638	1.7
188.71890	1.6
195.04448	1.4
197.06075	2.2
213.05602	15.0
223.03996	3.7
224.04727	8.7
239.03410	1.7
240.04248	2.3
241.05051	100.0
255.06786	2.6
256.07330	22.2
259.06116	1.8
267.03082	3.0
271.09708	3.8
283.06107	3.1
285.04044	8.1
300.06442	24.9
315.08746	75.8
315.14368	3.1
315.17468	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	315.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78986	3.1
59.34747	3.1
59.49880	3.2
65.02740	3.5
106.04210	6.6
107.05031	15.0
109.34322	3.9
121.02960	4.9
124.81677	3.6
150.03224	23.2
179.03465	17.4
182.02109	6.7
191.03439	3.5
225.05656	27.9
226.06390	100.0
238.06384	13.5
241.05151	3.7
241.08835	13.8
270.05350	33.3
282.05377	16.7
285.07700	67.3
297.07751	32.8
315.08832	16.2
315.17981	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	315.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18721	0.6
57.93190	0.9
59.01363	0.9
59.54179	0.6
60.08936	0.7
71.79619	0.8
73.02908	1.1
87.00842	5.0
121.02930	5.1
121.03703	0.7
134.03732	3.2
185.06071	3.0
195.04480	1.6
196.05345	0.8
197.06078	3.9
197.11836	12.7
212.04861	1.4
213.05592	22.3
223.03972	5.4
224.04802	6.7
236.38043	0.8
239.03487	1.5
239.07076	3.4
240.04279	2.9
241.05058	100.0
247.53256	0.7
255.06584	3.9
256.07397	22.6
257.04529	0.8
267.02985	3.0
271.09775	3.9
273.17044	1.3
283.06146	4.2
285.04010	9.2
299.05841	0.9
300.06412	23.6
315.08737	77.6
315.14038	5.8
315.17502	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.82127	1.1
66.71384	1.2
71.91665	1.2
83.95264	1.2
85.02905	1.8
108.02158	91.6
108.39311	1.2
109.02941	44.8
111.45241	1.2
113.02402	1.4
116.77969	1.2
133.02794	1.2
143.32195	1.3
151.03949	1.7
152.01138	100.0
153.00798	2.6
153.01921	35.1
165.01816	1.5
197.45085	1.2
232.71053	1.2
315.07227	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91835	0.9
60.33717	0.9
61.13384	0.9
61.98832	2.0
84.59853	1.1
108.02153	29.8
109.02934	76.9
123.04482	1.1
142.03450	0.9
151.99911	1.3
152.01135	44.0
153.01926	100.0
156.26749	1.0
167.70970	0.9
190.28008	1.0
229.06081	1.1
229.08450	1.0
315.07230	83.9
320.26340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89098	1.3
52.58056	1.2
58.75142	1.3
59.01389	1.2
60.19171	1.2
60.19487	1.4
94.48801	1.3
108.02158	88.8
109.02934	58.2
124.73971	1.3
151.04024	1.4
151.99902	3.2
152.01138	100.0
153.01923	65.6
154.82594	1.5
163.03972	1.8
187.78398	1.5
315.07211	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12715	1.4
52.61813	1.5
71.01376	23.6
72.04539	41.3
72.13148	1.7
72.97657	1.7
79.10001	1.5
88.04034	36.6
100.07645	2.1
109.76316	1.7
115.00352	27.1
126.77313	2.0
137.09698	10.4
154.12352	30.0
155.10785	33.2
155.60721	2.1
181.18777	2.0
185.65460	1.9
189.95308	2.4
198.11348	49.4
199.09798	10.1
208.13419	2.5
214.59917	1.9
252.12378	3.2
266.49533	2.1
270.13440	2.1
295.55850	1.8
296.11450	13.2
314.12479	100.0
314.16177	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	314.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	28.6
72.04533	46.0
84.98940	2.4
88.04034	43.7
89.51236	2.3
114.05589	3.0
115.00362	34.9
115.05907	2.7
132.02986	3.5
137.09711	15.7
154.12378	39.0
154.37352	2.4
155.10770	44.0
198.11362	66.4
199.09700	12.4
214.11668	2.6
270.13452	3.5
296.11316	17.0
314.12460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.92910	2.4
68.94446	1.8
82.67945	2.2
92.90790	2.0
96.54863	2.1
102.15012	2.3
141.09219	7.9
155.14375	4.6
157.08687	35.3
171.10271	3.2
171.14102	2.1
262.43063	2.1
277.21918	3.6
295.22696	3.5
313.23853	100.0
317.49484	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	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.82351	0.5
56.24155	0.6
61.79053	0.7
63.98279	0.7
92.68674	0.6
127.11266	2.9
141.12848	1.1
150.93069	0.6
153.73198	0.6
157.12314	0.7
169.12280	1.1
176.64166	0.6
185.00722	0.8
185.11830	16.0
208.01256	0.7
237.44511	0.9
267.23273	1.5
283.22754	1.1
295.22702	7.5
298.15805	1.3
311.22379	4.7
313.17603	7.3
313.23871	100.0
324.91406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.8
69.32115	1.1
78.06410	1.2
79.37889	1.3
113.09773	1.5
127.11259	7.3
169.12276	2.5
181.12300	2.8
185.11816	29.7
199.13361	14.0
215.12860	4.8
277.21738	7.6
285.18527	2.9
295.22705	7.4
295.51382	1.3
313.18234	37.3
313.23834	100.0
328.49176	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	314.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33859	2.1
54.97786	2.3
58.02963	13.5
60.80401	1.9
71.01357	20.0
77.34438	2.3
81.50987	2.0
88.04027	83.2
88.04547	4.7
107.67428	2.0
115.00369	28.0
116.83745	2.6
132.02994	5.8
137.09679	9.4
154.12354	24.0
155.10754	34.8
198.11351	29.6
199.09869	18.2
208.13544	3.2
226.14493	3.0
241.36147	2.5
259.35889	2.3
273.69034	2.4
314.08966	4.9
314.12457	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	314.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45436	1.3
58.02976	15.4
59.01367	1.8
66.99998	1.6
67.43520	1.6
70.02942	1.6
71.01370	16.2
77.67514	1.3
82.24772	1.5
88.04026	93.5
89.02451	1.6
115.00370	30.3
130.08698	2.2
132.02989	13.1
137.09740	10.1
137.71989	1.7
154.12366	26.5
155.10762	30.7
180.10403	1.9
180.35269	1.7
181.08690	1.9
198.11353	23.3
199.09763	17.4
208.13429	6.6
226.14537	3.5
252.12189	1.7
296.11389	2.6
314.12460	100.0
314.16138	3.2
325.73068	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	313.2383
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
52.62583	1.5
57.03452	1.7
59.01363	9.7
60.71277	1.7
75.31748	1.7
83.67992	1.8
121.58667	1.8
141.09239	3.5
155.14377	4.0
157.08707	17.4
171.10280	2.5
185.00795	3.7
186.87886	2.1
249.22173	2.5
251.22937	10.1
271.76440	2.1
277.21762	3.9
283.13382	9.8
295.22220	3.5
298.15771	30.0
313.17850	100.0
313.23685	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	313.2384
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
74.61440	4.8
100.81892	4.8
133.80186	6.4
155.10709	5.5
162.41565	5.7
169.92239	6.8
171.10258	12.3
222.37410	6.0
230.46605	6.2
267.23373	26.0
278.80527	5.8
310.79443	5.6
313.16638	24.2
313.23792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
54.54779	1.1
60.88906	0.7
83.19189	0.9
92.20053	1.1
111.08136	7.5
113.09694	1.7
129.09186	1.3
137.83754	1.0
143.65042	1.0
144.84488	1.0
155.14323	1.5
157.08696	19.8
168.10960	1.0
183.13904	5.7
185.00807	1.1
212.58688	1.3
222.74811	1.0
247.14192	1.0
249.22099	0.9
267.23236	1.6
277.21722	1.1
311.22479	1.8
313.23862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.08695	0.6
51.23214	0.7
52.25707	0.6
54.55806	0.8
66.97433	0.7
70.93219	0.8
71.57545	0.7
79.50911	0.7
96.43805	0.7
113.09705	4.7
117.19540	0.8
125.09676	1.0
127.11268	4.3
145.61296	0.8
151.11304	1.1
171.10263	4.7
178.97050	0.8
209.45265	0.9
251.23761	1.3
255.13918	12.6
277.21725	1.5
293.21301	4.6
295.17294	0.8
295.22751	9.8
297.15106	1.7
313.18408	16.1
313.23849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
65.30457	5.3
71.57949	5.6
76.77813	5.3
82.22200	5.4
159.31085	5.8
183.10268	9.4
186.93282	5.7
192.23151	7.4
209.73599	7.3
295.22839	7.2
313.20435	17.3
313.23730	100.0
319.96011	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	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
64.93497	1.0
68.50432	0.9
77.06987	0.9
85.06548	1.2
87.60151	1.0
111.08119	2.6
111.44386	1.0
113.09670	2.0
119.25238	1.0
122.55761	1.0
127.11263	5.7
129.09196	1.2
155.10754	2.2
155.14442	1.5
157.08607	8.4
171.10257	1.7
185.11705	1.9
251.20200	1.3
251.23607	1.4
269.21274	1.8
283.17084	18.5
285.20706	1.8
293.21106	4.2
295.17096	6.4
295.22705	18.6
313.17987	24.1
313.23816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67303	0.6
57.03429	1.6
57.97947	0.8
59.01369	3.5
63.87907	0.8
66.55291	0.8
96.88953	0.7
113.09667	1.3
125.09690	1.2
127.11288	0.9
134.42526	0.7
141.09242	9.6
141.12807	3.8
153.09222	5.0
153.12791	0.8
155.14397	8.1
157.08684	21.5
159.15285	0.8
171.10248	11.7
171.13872	1.7
185.11861	1.6
187.09685	1.7
277.21729	8.6
295.22708	6.7
313.17859	11.7
313.23834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82557	0.5
65.25425	0.5
68.64672	0.6
71.04996	1.2
85.44750	0.6
85.68536	0.6
113.09692	2.8
123.18584	0.6
125.09696	1.2
127.11266	3.7
136.01315	0.6
141.12854	2.9
155.14328	1.0
168.68661	0.6
171.10223	4.3
251.23698	2.2
257.76663	0.6
288.39664	0.6
289.79150	0.7
293.21341	2.6
295.22736	5.1
311.22202	0.8
313.23856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
58.00600	2.0
59.99167	1.5
76.44608	1.5
83.49371	1.4
84.29245	1.7
86.02451	1.5
111.94199	1.7
125.09711	3.8
127.11269	9.0
147.08626	1.7
155.10773	2.9
165.09250	3.9
171.10216	13.9
199.09821	3.6
201.11322	77.7
277.21628	8.7
295.22763	3.4
313.23843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
54.92182	1.0
58.00601	1.8
62.75929	1.3
73.01672	1.3
99.08148	15.8
127.07595	2.9
129.09196	25.1
183.13889	48.9
195.13902	5.3
277.21649	2.8
279.26901	1.3
283.13382	2.4
283.16989	5.7
285.18506	1.4
295.22833	9.5
313.14542	3.9
313.18173	29.3
313.23834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	1.9
85.27901	1.2
93.09169	1.1
99.08146	20.0
127.07619	5.6
129.09206	37.1
170.87183	1.3
183.13881	55.1
194.07108	1.6
195.13930	9.4
197.11768	1.4
215.66217	1.3
236.32004	1.2
270.72464	1.5
277.21646	8.8
295.22708	13.0
313.20642	4.0
313.23837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53512	0.7
59.01369	5.5
71.01368	13.9
82.04094	11.7
82.07671	0.8
82.47501	0.6
96.95923	0.7
102.56127	0.7
102.98592	4.2
107.05007	5.0
119.03388	0.8
119.05026	1.5
120.99629	1.4
121.81815	0.8
123.08150	4.6
140.88293	0.7
141.09207	100.0
149.02762	0.9
153.11409	5.0
183.04800	0.9
185.08197	0.9
271.20294	22.1
311.66855	0.8
313.09540	1.3
313.12946	1.6
313.16864	1.0
313.22488	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	313.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12074	2.6
54.72420	2.9
59.01349	2.8
69.37429	2.6
83.05022	11.1
86.46516	2.7
114.58174	3.1
129.09196	25.0
129.37057	3.1
140.08936	3.3
141.09219	5.2
143.07152	6.8
149.09674	6.9
151.11246	6.0
157.08789	3.2
171.10268	32.4
183.10260	28.5
195.10251	49.8
204.38138	3.2
213.11327	6.8
277.18073	14.9
295.16580	5.2
295.19409	5.5
298.12094	12.0
305.93295	3.5
313.14404	18.3
313.20319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.202
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81935	0.7
85.31123	0.7
96.46567	0.8
99.08114	0.8
127.11268	1.3
129.09207	15.5
141.09227	5.0
155.10757	8.4
157.08662	7.7
171.10254	18.4
183.10233	15.8
195.10222	1.9
199.11189	1.1
223.84317	0.8
233.19044	0.9
236.48978	0.7
240.33243	0.7
251.14346	2.9
263.14313	1.2
265.09863	0.9
265.12164	5.5
277.18060	4.2
278.21597	0.8
279.13916	3.0
280.14624	7.0
295.16934	100.0
298.11786	0.8
313.14386	5.5
313.17758	17.2
313.20322	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	313.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64251	1.1
52.91739	1.2
54.73742	1.1
56.84400	1.0
62.01957	1.1
63.72736	1.1
73.02941	2.1
97.06564	8.9
99.08125	5.7
112.05276	9.3
113.09722	5.5
115.07637	2.9
127.11276	7.9
129.09212	7.4
141.09207	2.0
141.12823	2.2
142.79793	1.3
151.11272	1.8
155.10771	100.0
157.08681	53.0
165.12872	1.6
171.10254	6.8
183.10275	9.4
183.13853	2.0
190.93236	1.3
197.38504	1.4
198.73682	1.4
199.11299	15.5
213.12897	1.4
225.12880	1.5
233.19069	1.7
243.13910	3.1
249.12852	2.6
250.13512	5.5
254.70828	1.3
255.13921	1.9
265.15985	23.6
277.18182	8.7
283.16934	9.0
285.20908	1.4
295.19141	22.4
295.22772	5.2
304.86493	1.3
313.17905	43.8
313.20422	36.5
313.23758	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28472	2.0
54.41441	2.5
69.34817	2.5
70.21296	2.3
77.61873	2.6
85.02931	6.1
86.25809	2.5
94.94877	2.7
97.06577	5.3
112.60171	2.5
146.70522	2.3
157.08635	19.9
169.12357	11.5
197.11890	29.0
215.12863	18.3
313.16864	4.8
313.20270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19139	6.4
54.19010	5.8
55.46038	7.7
59.01379	6.3
66.56101	5.9
81.57902	6.2
90.23933	8.5
104.20670	7.4
110.42018	7.0
112.05318	6.8
126.22056	6.7
141.09200	8.3
141.52435	7.3
155.10765	100.0
157.08687	70.2
196.99971	7.3
199.11314	9.4
200.32869	7.5
225.06453	7.0
240.00763	8.1
277.18076	9.6
283.17197	29.8
295.19385	14.5
313.17874	64.1
313.20395	57.8
313.23737	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88318	2.2
56.02576	1.8
57.14621	2.0
63.68106	2.4
78.46085	2.3
93.70547	2.3
144.17239	2.6
154.38261	2.4
167.75485	2.6
173.09641	3.9
206.05179	2.6
269.19125	10.7
280.47726	2.3
313.18140	100.0
313.23877	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	313.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51925	4.1
59.01345	4.2
61.61136	4.0
62.34510	4.0
78.89478	4.0
121.02927	4.4
193.88531	4.2
199.01787	4.1
220.95868	4.9
283.16995	100.0
295.16885	33.7
313.17914	92.0
313.23865	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	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02567	1.2
51.28705	1.2
55.54652	1.3
56.39671	1.2
56.96496	1.5
57.03448	2.6
57.38378	1.1
58.62062	1.6
63.93057	1.2
70.71848	1.4
73.02959	1.5
78.80122	1.4
80.61801	1.4
98.17718	1.4
99.37718	1.4
111.08136	2.8
123.82742	2.1
127.07642	2.0
127.11288	6.2
129.09212	56.7
139.11261	1.4
141.09244	12.6
152.11293	1.4
155.10640	1.6
171.08849	3.1
171.10274	74.2
183.10254	62.2
185.39180	1.6
195.10254	11.6
198.47852	1.6
199.04497	1.4
217.76686	1.3
224.10527	2.1
233.19078	3.4
268.24728	1.5
277.18051	9.1
295.19150	12.2
313.20230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08345	0.3
68.03024	0.3
69.08048	0.3
83.44476	0.4
86.84153	0.3
127.81260	0.3
147.48045	0.3
155.73311	0.4
219.26880	0.4
285.42279	0.3
297.14972	0.4
309.43750	0.3
313.18109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32382	0.5
68.19576	0.5
93.29486	0.7
101.45903	0.6
102.38237	0.6
134.70027	0.6
144.01689	0.6
157.08737	0.9
185.00816	1.3
201.31097	0.6
283.13492	3.4
285.18494	0.7
297.15002	1.4
298.15750	25.0
313.18143	100.0
313.23441	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	313.181
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
51.24847	2.4
57.55040	2.5
59.01372	3.6
62.77962	2.4
65.45967	2.4
96.49624	2.9
115.07628	31.6
116.33395	2.5
120.43938	3.1
122.23446	3.0
131.38814	3.0
143.07098	14.9
160.12857	3.5
171.06731	3.2
211.09854	5.6
215.12788	15.7
277.21802	3.6
283.16949	15.6
295.22861	6.2
298.14807	13.7
298.93494	3.3
313.17892	100.0
313.23666	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	313.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49357	4.3
63.69806	5.0
63.97288	5.3
65.26890	5.4
68.05895	5.8
75.46496	5.4
116.60653	5.5
122.38029	6.3
199.77937	5.8
255.13844	56.5
295.16690	6.6
313.18063	100.0
313.23672	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88507	2.0
59.01373	4.1
59.80006	1.7
67.57290	1.8
99.08134	2.1
117.97942	2.1
127.11255	2.5
141.13010	2.2
171.10330	2.9
175.42612	2.0
232.99049	2.1
269.04547	4.6
269.21332	4.1
295.22928	2.6
313.18085	100.0
313.23782	48.0
331.69312	2.4
332.44498	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	313.181
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50243	0.5
97.45081	0.5
111.65952	0.6
125.22169	0.5
176.37601	0.7
254.82292	0.6
280.97723	0.6
283.17041	100.0
295.13620	0.8
295.17023	35.8
313.18091	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85464	0.4
69.28794	0.5
71.97550	0.5
73.87683	0.4
85.63697	0.4
92.41642	0.4
92.69854	0.4
97.88937	0.5
106.79451	0.5
133.41547	0.5
157.17177	0.4
166.40520	0.5
279.13837	1.0
280.14621	6.9
283.16852	0.5
295.13620	0.7
295.17035	31.3
313.18109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08418	1.0
54.40179	0.9
57.66730	0.9
59.01387	1.2
73.39223	1.1
77.88799	1.0
86.05806	0.9
89.07986	1.1
104.70773	1.0
119.16689	1.1
142.95569	1.1
230.78673	1.2
283.13412	20.9
298.15756	46.4
313.18118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.181
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75151	1.3
68.09207	1.2
72.03572	1.1
75.20892	1.2
211.57164	1.3
242.13107	1.7
265.58899	1.4
285.18582	1.9
295.17053	1.8
298.15726	51.7
313.18088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1659
Annotation	Resiquimod
Peak:m/z	Relative Intensity
59.01375	35.3
61.44335	2.0
65.97894	1.9
84.26881	2.0
84.70902	2.1
87.00861	100.0
92.19995	4.8
95.18079	2.0
128.34068	2.1
128.43268	2.3
191.37514	2.2
199.72774	2.0
225.05862	3.3
235.13264	2.7
237.86340	2.2
269.43884	2.1
295.15527	9.1
313.07077	3.6
313.13177	3.5
313.16565	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62896	0.5
60.00706	0.4
61.07284	0.4
66.67394	0.5
85.06559	0.6
108.18993	0.5
108.53311	0.5
113.40243	0.5
127.11254	0.6
136.05275	2.8
143.07098	2.0
151.07567	0.7
155.10712	1.9
157.08662	2.4
161.09715	1.7
171.10217	1.0
199.11253	1.2
201.11278	2.1
215.10936	0.6
227.10771	0.8
264.47095	0.5
269.15472	0.5
269.19058	4.6
269.21548	0.7
279.13727	0.5
280.14359	0.5
283.17032	6.1
285.14893	3.6
295.16971	2.0
295.22736	1.9
313.18063	100.0
313.23672	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1084
Annotation	Agrimonolide
Peak:m/z	Relative Intensity
54.55350	1.6
55.74567	1.5
59.83215	1.6
81.36981	1.7
90.59261	1.8
93.03441	11.2
106.27875	1.8
107.04981	2.1
119.05014	50.0
129.18335	1.8
131.33446	2.0
132.05771	14.3
133.06589	100.0
145.06583	10.0
164.04739	2.1
189.05615	4.3
222.08449	2.1
236.08437	7.1
239.10793	91.8
251.10773	52.1
256.09460	2.0
265.08615	4.0
269.11813	59.8
313.10788	43.8
322.34518	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	313.1083
Annotation	6-Methoxyhomopterocarpin
Peak:m/z	Relative Intensity
59.01369	5.4
59.59593	1.1
67.45947	1.1
73.02912	1.4
93.03435	2.1
108.02161	5.2
121.02939	42.4
122.03710	1.9
123.04499	5.5
132.05791	5.1
145.06584	2.3
164.04785	1.7
194.67050	1.2
195.08160	1.6
211.07646	8.0
220.29646	1.3
225.05685	1.7
226.06334	8.0
238.06346	2.1
239.07114	49.1
253.08710	57.3
254.09494	33.1
269.11801	2.5
281.08179	27.8
313.10818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1082
Annotation	6-Methoxyhomopterocarpin
Peak:m/z	Relative Intensity
58.41703	0.9
64.12289	0.7
92.02662	1.3
93.03448	23.5
100.33953	0.8
103.79275	0.8
108.02143	5.3
110.42425	1.0
120.02136	3.4
121.02911	1.6
147.04494	0.9
159.04494	8.3
253.08704	100.0
265.08716	7.1
283.09598	7.2
313.10779	48.1
313.16336	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1083
Annotation	Leridol
Peak:m/z	Relative Intensity
51.22964	1.2
52.59987	1.4
56.96793	1.4
58.52122	1.6
58.98525	1.4
59.01376	20.6
59.50838	1.4
65.11468	1.4
68.16430	1.7
71.59354	1.5
71.81750	1.6
92.19347	1.7
93.03439	60.4
107.54067	1.5
111.00881	1.5
114.59368	1.5
119.05019	11.5
120.78490	1.3
121.06564	8.1
133.06564	6.8
145.06583	7.0
207.06609	2.7
211.07625	8.2
223.07639	37.1
226.54805	1.4
227.36835	1.4
235.07686	16.9
236.08385	7.8
237.09042	1.7
239.10809	24.8
249.08990	1.8
251.10760	19.7
265.08633	9.8
277.08795	10.6
283.06604	3.3
283.09760	100.0
295.09763	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31098	1.1
63.44725	1.1
66.59198	1.1
85.02903	2.0
92.19372	1.5
100.11922	1.4
107.04993	1.1
108.02158	92.3
110.96687	1.1
123.04505	76.4
152.01146	31.8
163.00351	1.4
166.57852	1.3
167.03482	100.0
171.77094	1.4
178.02750	2.5
179.83662	1.1
189.64977	1.2
246.67892	1.4
260.16415	1.2
304.68851	1.2
313.09290	45.2
313.12891	1.6
331.56003	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	313.093
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
58.26928	3.3
59.01373	24.1
71.01372	42.9
72.40719	3.0
73.02922	16.6
78.95901	4.7
83.01383	3.6
85.02938	26.9
89.53795	3.1
95.01360	5.8
96.96924	3.7
99.00806	5.6
101.02418	22.9
104.73785	3.5
106.04234	5.9
107.05014	100.0
108.02155	82.2
109.02933	87.7
113.02398	16.6
113.18858	3.2
126.17527	3.8
151.03986	87.8
161.04546	23.5
173.62033	3.3
188.99870	3.9
198.43605	3.1
232.98914	5.0
265.36111	3.4
313.09244	20.4
334.92368	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	313.0931
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
55.01890	0.8
57.03441	0.9
59.01378	4.0
64.67173	0.5
71.01376	20.9
73.02943	4.3
82.04120	4.2
83.01386	2.7
85.02944	7.7
90.58413	0.6
92.19357	1.4
93.03442	0.8
95.01373	1.0
99.00858	1.1
101.02429	8.3
102.98568	4.4
107.05017	100.0
113.02422	6.3
119.05008	1.2
122.85246	0.8
123.08136	1.1
141.09207	36.0
148.80025	0.7
151.04019	6.8
151.11288	0.8
153.11389	0.7
159.02957	0.9
160.06660	0.8
161.04512	8.9
167.03435	0.7
210.49680	0.8
223.29776	0.6
237.03813	0.8
271.20300	7.9
298.52069	0.7
313.09402	8.1
313.22528	9.3
322.76230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	23.3
59.01360	7.1
59.76274	2.6
62.71754	3.1
72.64893	2.6
72.99300	3.7
85.02944	11.2
91.10226	3.0
108.69332	3.0
109.06582	2.8
120.01714	3.0
123.08157	21.8
125.09697	19.0
137.09668	4.9
141.09091	3.3
147.04549	5.7
151.07640	24.6
163.11322	20.6
165.09152	3.8
169.08652	12.7
179.10779	35.2
181.12315	16.7
189.09196	3.4
193.08655	3.9
195.06480	4.2
207.10220	6.1
213.07698	100.0
214.71492	3.6
223.09709	4.9
225.11308	3.4
241.71645	2.8
251.09198	16.6
253.77345	3.0
267.08380	3.2
269.10352	22.0
277.24167	3.4
295.08340	4.2
313.09326	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	313.0926
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
51.60127	0.3
52.92057	0.3
59.01382	0.8
59.10817	0.3
62.27978	0.3
87.00909	0.4
96.15768	0.4
96.95997	9.1
99.92618	0.3
100.93341	0.4
108.02183	0.8
108.90428	0.3
109.02932	100.0
115.26970	0.4
116.08180	0.3
119.04975	0.8
130.52736	0.3
133.06573	2.3
142.81921	0.4
159.10190	0.4
226.08839	0.4
239.05936	2.5
239.10861	1.9
251.10738	0.5
269.11826	0.8
271.12006	0.4
313.09552	10.4
313.12970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Salvianolic acid F
Peak:m/z	Relative Intensity
70.98947	1.0
80.52810	1.1
81.03452	1.4
96.62437	1.0
105.03429	10.2
119.05004	49.4
123.04484	2.1
145.02946	1.4
145.27217	1.0
149.02426	63.7
163.03987	2.0
168.10408	1.0
175.04010	5.9
183.08113	21.9
193.01448	2.3
201.09019	1.5
225.09196	18.2
227.07137	10.5
251.06929	1.3
269.08194	100.0
289.88779	1.3
313.07510	1.3
316.00818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
78.95924	0.6
88.84812	0.7
93.85195	0.6
96.96951	3.1
99.31914	0.7
108.29697	0.6
132.03040	3.0
159.27104	0.7
223.06792	0.7
232.49942	0.7
249.12511	2.7
312.08145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38644	0.7
57.97551	0.6
61.98827	100.0
74.59419	0.6
88.04013	5.2
96.96937	3.6
115.00343	2.4
132.03012	25.5
135.04494	0.8
160.74382	0.8
163.04118	0.6
166.81499	0.7
181.03308	0.7
182.56075	0.6
189.04404	1.0
190.05432	0.7
225.02339	0.6
249.12465	2.9
253.04201	1.2
268.06598	5.1
299.72205	0.6
303.83365	0.6
306.73532	0.6
312.07526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50090	1.4
59.01385	1.5
65.49181	1.5
71.01371	16.2
72.04526	3.8
73.04539	1.6
74.80663	1.6
77.65781	1.8
88.04027	100.0
98.06091	6.9
109.76448	2.0
110.06072	3.8
114.01956	1.8
115.00349	35.8
130.20403	1.5
132.03015	84.4
135.08113	2.1
137.09688	3.2
152.10812	17.6
153.09192	8.6
162.12839	2.9
196.09750	6.9
196.84256	1.7
197.08270	3.3
206.11871	9.8
223.59047	1.7
224.12914	10.5
250.10840	7.0
268.11981	3.1
294.09863	2.4
312.10886	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17897	2.3
71.01370	12.9
72.04524	4.2
73.48533	2.4
87.72462	2.3
88.04025	95.3
110.06059	3.8
115.00349	32.0
132.03009	100.0
152.10835	21.2
153.09218	4.8
162.12894	9.9
165.03624	2.6
196.09779	8.9
206.11761	4.3
224.12842	2.8
268.11899	3.3
294.10004	2.7
312.10873	99.6
333.64816	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	312.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
59.72068	1.0
72.04527	2.7
79.92765	1.1
82.02969	11.5
83.01377	5.8
83.05020	1.3
84.04539	2.0
85.02934	21.2
86.06105	7.0
88.04002	2.0
96.00774	1.2
97.02937	6.0
98.02460	31.9
98.06094	1.5
100.04026	6.3
101.02405	1.4
108.04530	7.3
110.06085	1.3
111.04505	1.6
112.03979	3.5
123.08150	2.0
126.05578	4.8
128.07182	1.7
132.02983	7.1
138.05618	1.3
140.10796	21.9
142.08754	19.2
145.10426	1.2
150.05542	1.3
151.06409	2.7
152.07147	29.7
154.04961	1.7
162.09253	4.3
168.06650	2.3
170.08241	19.6
204.10263	1.6
206.11841	10.2
207.79652	1.2
222.11208	1.9
224.12880	18.0
239.94408	1.1
312.07620	4.9
312.10892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21897	1.2
54.44396	1.0
59.01383	1.4
64.34203	1.5
79.22063	1.4
99.08132	3.1
113.09715	1.9
129.09254	1.5
169.12335	1.4
181.12309	6.0
183.10304	2.3
183.13844	6.0
197.11768	4.5
199.13408	1.7
211.13394	14.6
293.21252	26.9
311.22302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09711	0.8
62.55529	0.9
71.01371	5.1
78.79070	0.9
78.95891	8.7
85.06583	4.0
88.04026	100.0
96.95381	2.3
96.95992	46.7
96.96938	8.7
132.02974	1.7
160.09769	21.7
191.97600	1.2
195.03368	2.1
232.11887	27.4
311.83115	1.1
312.07626	98.0
312.11139	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
67.72286	0.9
83.05042	0.8
85.45944	1.0
99.96726	1.0
150.67638	1.0
183.01173	12.6
249.22243	83.9
267.23340	2.3
293.21231	31.9
305.06119	0.9
309.57114	1.0
311.16833	61.0
311.22266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.53146	1.6
59.01382	3.7
62.67593	1.4
63.91844	1.4
70.26926	1.6
70.86007	1.5
90.97879	1.7
92.31809	1.6
109.53829	1.7
116.71914	1.7
127.07584	1.8
157.08678	8.1
188.37585	1.6
193.15953	1.9
195.13890	9.2
239.35518	1.8
267.17526	8.9
293.21234	10.0
311.16760	20.8
311.22253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.14897	4.5
55.15690	4.3
66.63930	3.9
74.12794	4.5
77.52740	4.3
82.08295	4.8
99.98584	4.9
181.12341	10.9
293.21188	7.2
311.17004	33.2
311.22238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88056	1.2
52.33197	1.2
57.03443	1.5
64.76470	1.3
89.56657	1.6
99.08145	7.5
101.89240	1.5
113.09717	6.4
129.09230	10.3
153.12794	2.2
169.12343	5.4
181.12340	6.6
183.13898	6.3
197.11844	13.8
199.13463	2.8
211.13377	23.6
293.21179	15.5
311.16635	5.7
311.22296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37027	1.5
71.63115	1.4
95.63070	1.7
108.43472	1.5
113.09701	2.9
127.11279	1.8
139.11263	6.2
148.93124	1.6
153.09029	1.8
153.12845	1.8
155.10805	2.0
157.08681	3.6
163.80869	1.6
171.10260	25.4
181.12329	6.2
185.11801	3.6
197.11844	10.9
199.13432	3.1
207.65523	1.7
211.13455	21.6
238.55554	1.7
293.21194	18.1
311.22305	100.0
317.87143	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33591	2.2
59.01379	89.3
61.76295	1.9
80.94051	1.8
82.17320	2.0
99.64479	2.0
105.08575	2.2
119.70578	2.0
125.09673	2.2
183.13823	4.7
197.56656	2.2
201.11252	5.0
232.76067	2.4
273.84128	2.2
293.21329	4.4
311.16547	7.1
311.22284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94501	1.2
52.03062	1.3
63.81782	1.2
65.93562	1.2
66.91516	1.3
69.17423	1.5
99.08134	1.9
99.85438	1.9
109.15147	1.4
113.09703	5.6
129.09201	2.7
139.11218	5.8
169.12267	1.7
171.10248	22.6
181.12367	2.6
185.11778	2.7
197.11847	7.6
199.13438	3.2
201.11313	6.0
211.13351	13.7
293.21185	10.9
311.22281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57320	2.5
54.82778	2.1
56.39977	2.7
58.95272	2.3
59.01358	4.6
59.35604	2.2
61.68098	2.3
63.78482	2.4
67.63625	2.3
75.95411	2.3
76.52404	2.6
80.79444	2.4
114.21309	2.7
114.47126	2.9
115.09808	3.2
125.25558	2.6
134.56004	3.0
139.11304	11.2
167.07155	5.3
171.10251	22.3
185.11810	4.1
213.51898	2.7
225.14890	4.5
237.18440	3.3
293.21222	23.2
311.22302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
58.00581	8.9
121.10234	1.6
125.09674	2.9
127.07613	5.1
127.11259	5.6
137.09758	1.2
165.09207	2.1
171.10252	7.6
178.56981	1.2
183.13907	23.6
199.09824	1.9
201.11331	51.8
213.14935	7.6
223.13329	1.5
241.14433	6.1
275.20145	2.2
293.21085	6.7
311.22278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63008	1.3
52.68666	1.3
57.03419	1.3
57.10012	1.4
57.99841	1.6
58.94411	1.6
64.83120	1.4
70.07526	1.4
79.99110	1.6
84.55283	1.6
99.08132	2.1
103.20738	1.4
113.09747	5.8
117.34937	1.5
120.09139	1.7
129.09180	2.4
151.38966	1.8
152.11467	1.6
169.12300	3.3
181.12352	2.7
197.11865	16.2
199.13399	2.7
211.13345	16.9
293.21164	11.9
307.09760	1.7
311.18610	3.2
311.22284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37507	1.1
60.32082	1.1
60.84781	1.1
70.03706	1.3
81.36208	1.2
84.96407	1.3
87.47585	1.3
98.95572	6.8
113.09676	2.3
123.03989	1.4
123.83594	1.3
133.44543	1.6
143.78908	1.4
153.12811	1.6
181.12343	9.4
183.01187	5.5
213.14955	40.4
251.42133	1.2
269.21240	44.2
293.21268	27.6
306.19733	1.4
311.16995	37.7
311.22272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
59.01369	1.7
63.02946	1.3
85.06570	3.3
87.78234	1.5
91.28448	1.5
139.11295	1.6
163.11311	2.4
168.11603	3.1
171.10277	6.3
195.13791	1.5
201.11342	1.7
211.13405	5.9
249.22157	3.6
293.17963	2.2
293.21228	62.3
295.00592	1.7
311.22293	100.0
320.70395	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
71.38735	1.0
80.54518	1.0
84.99087	1.0
115.07615	1.7
128.08444	1.4
167.14450	2.5
183.13858	2.1
185.64046	1.0
195.13849	12.4
195.71806	1.1
213.15126	1.2
249.22134	1.3
293.21313	11.7
311.16650	3.8
311.22290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71890	1.7
59.01380	2.0
65.12527	1.7
82.24768	1.9
82.46955	2.1
88.92004	2.1
91.66297	2.0
91.67554	2.0
104.51915	1.8
126.81461	1.8
139.11295	2.1
171.10330	3.5
211.13428	1.9
225.15059	2.1
293.21259	9.9
311.16898	3.8
311.22287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53859	0.2
59.01379	1.0
64.05450	0.3
79.95731	0.4
117.00733	0.3
119.05051	0.5
127.26488	0.3
145.02319	0.3
170.00395	0.6
171.00914	0.3
183.01201	22.0
184.01991	0.6
197.02831	0.4
198.03539	0.7
247.20517	0.5
249.22319	0.3
293.21304	1.4
311.16885	100.0
311.22006	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77337	6.5
72.53930	5.8
72.89454	6.7
76.83960	7.1
89.77206	6.0
214.09001	7.8
293.21103	25.5
296.14117	8.5
311.16583	38.0
311.22192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01373	2.7
60.45936	2.1
61.40840	2.5
64.07822	2.3
67.20732	1.9
88.93632	2.5
90.78141	2.4
92.19951	3.1
100.70356	2.1
135.81302	2.3
161.54767	2.6
167.14394	3.6
183.13962	3.2
195.13878	17.7
217.04901	2.9
224.95341	2.4
293.21268	9.0
311.16602	10.1
311.22302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04094	1.8
59.01374	2.7
60.42673	1.0
61.42873	1.1
61.92900	1.0
71.01373	1.5
71.05013	2.3
82.04100	9.4
88.10292	1.2
92.19328	1.4
101.02434	2.8
111.08195	2.1
112.08781	12.5
129.11452	16.2
139.07625	6.7
140.08304	5.7
153.11440	7.3
157.08675	51.3
202.88391	1.3
204.77588	1.4
211.15695	4.6
225.19768	2.1
269.18686	11.6
283.07425	1.2
311.20901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71290	1.1
58.04078	1.3
78.62302	1.4
81.07066	6.6
83.04992	1.8
91.58983	1.1
107.08637	2.3
112.08779	10.3
113.10818	2.5
119.08652	1.9
129.11476	14.4
133.65088	1.3
133.91470	1.3
141.65926	1.3
157.08693	2.7
163.36606	1.5
185.12970	2.5
192.34319	1.3
269.18710	100.0
302.63037	1.4
311.20892	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04083	3.1
58.40631	1.1
59.01367	1.6
72.56908	1.4
81.07082	21.3
84.19090	1.3
84.95363	1.3
104.27164	1.4
107.08634	2.4
112.08787	16.0
113.10831	9.4
119.08658	2.8
127.07625	1.5
129.11449	19.7
153.11427	1.8
157.08694	21.5
158.51474	1.3
165.65683	1.6
207.18718	1.9
252.57440	1.3
255.21477	1.5
269.18698	72.8
295.19855	1.5
311.07678	4.6
311.20889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1865
Annotation	Dihydrobotrydial
Peak:m/z	Relative Intensity
57.03444	3.9
59.01382	18.6
63.90927	0.9
71.05015	8.1
90.39042	1.0
92.61892	1.0
165.12785	1.1
181.15993	5.1
189.27080	1.1
207.17538	2.1
209.15424	2.2
223.16968	5.0
225.18588	100.0
251.16515	14.7
269.17566	12.0
311.15317	1.5
311.18658	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81668	5.8
81.05266	4.7
97.78145	5.8
111.08131	17.4
137.09738	6.1
138.30495	5.3
160.90141	5.3
170.96362	5.6
171.10307	16.3
188.61726	5.7
205.60367	5.0
249.18579	6.2
263.10330	5.6
265.18121	61.1
278.13141	4.8
288.74438	4.6
293.17587	26.9
293.20734	5.1
311.16061	37.1
311.18628	100.0
311.22296	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70621	1.5
52.18838	1.5
59.01374	2.6
60.57409	1.8
71.82282	1.8
87.66912	2.0
123.08165	11.9
123.54256	1.8
125.09735	3.8
137.56444	2.3
185.11801	2.1
199.13527	3.2
221.19144	4.3
237.18706	2.6
247.17097	3.0
249.18690	14.4
265.18079	65.4
275.16760	2.0
293.17773	12.8
293.21417	8.1
311.18802	100.0
311.22336	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	311.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67499	1.6
55.07112	1.2
59.01376	42.9
67.94882	1.3
72.99295	10.5
109.90349	1.5
122.59182	1.8
146.48808	1.5
181.15958	1.9
207.17526	1.7
225.18622	2.4
251.16505	74.0
269.17581	100.0
311.18661	37.7
311.22076	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	311.1866
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01381	11.6
64.68086	8.4
97.48927	8.9
127.83995	9.1
136.39456	11.3
147.44420	8.8
153.09148	17.7
157.08711	16.7
171.10234	15.5
183.10320	17.2
193.76625	9.6
195.10222	64.3
214.76076	9.5
271.50400	9.0
274.31708	10.4
279.58881	9.1
293.17502	100.0
311.18604	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1864
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01376	5.8
62.48899	2.9
65.05576	3.4
65.46960	2.8
68.96959	3.7
76.91785	3.7
79.27811	3.3
79.56740	3.5
84.65522	3.5
105.06458	3.4
110.50371	3.5
148.28116	4.1
195.97067	4.1
223.20674	6.5
249.18655	5.1
267.19678	100.0
275.16553	7.2
293.17639	45.4
311.16266	36.5
311.18744	45.5
311.22266	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	311.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.9
71.01385	3.8
72.02142	3.4
78.78606	2.5
83.05025	15.7
83.38316	2.5
84.83564	2.5
88.90090	2.6
91.75886	2.3
95.04952	2.5
99.08132	6.1
108.15533	3.1
111.08134	4.0
111.36588	3.3
112.82951	3.0
127.07633	27.5
127.11325	2.8
149.09769	8.7
151.11325	4.8
155.10835	4.8
171.10231	40.8
177.09172	3.5
178.10004	4.6
183.10222	29.2
195.10255	100.0
224.10530	5.5
231.17477	5.8
242.11514	4.7
259.01193	3.4
275.16452	4.2
293.17612	84.8
311.18655	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18248	0.3
63.49226	0.3
72.04742	0.3
74.11394	0.3
81.57008	0.3
91.76701	0.3
94.40778	0.3
97.73581	0.3
141.12932	0.4
170.00473	1.2
183.01192	19.9
184.02031	1.5
197.02820	0.4
198.03566	0.6
221.86826	0.3
247.20798	0.4
249.22229	16.5
267.23123	0.6
293.21249	5.3
301.87363	0.4
311.16882	100.0
311.22189	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	311.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60694	4.1
54.52826	4.0
59.01369	29.4
71.59294	5.8
73.48698	4.8
79.73456	5.1
106.36414	4.7
109.46043	5.0
156.27718	5.2
163.26694	4.8
171.10266	5.6
247.09238	5.1
253.05020	6.5
281.04630	9.0
281.15466	6.3
283.17044	100.0
293.20901	6.6
296.06845	5.8
311.09442	8.2
311.16245	51.4
311.22083	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1653
Annotation	TRIPTOPHENOLIDE
Peak:m/z	Relative Intensity
54.23176	0.3
59.01368	0.7
66.36009	0.3
81.96324	0.4
86.83797	0.4
102.91486	0.4
140.34245	0.4
157.08788	0.4
244.81366	0.4
253.08701	3.0
267.13959	1.6
281.11865	3.1
293.21017	0.5
295.13382	15.6
296.14175	30.5
311.16559	100.0
311.21777	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73028	1.8
62.38865	2.1
79.92104	2.5
103.45566	2.2
104.10627	2.2
106.65362	2.5
113.09670	2.5
132.41187	2.2
142.10356	2.3
199.45558	2.3
281.11795	4.4
293.20883	3.1
296.14157	36.7
311.16553	100.0
311.21960	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	311.1652
Annotation	TRIPTOPHENOLIDE
Peak:m/z	Relative Intensity
70.45417	0.5
86.55039	0.5
118.67544	0.6
155.10672	0.7
167.99619	0.5
177.09148	0.6
193.17975	0.6
195.10231	3.6
201.84283	0.7
277.28796	0.6
281.11856	1.2
293.17545	2.4
295.13339	1.5
296.14044	0.7
311.16534	100.0
311.21832	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	311.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55426	0.4
51.26728	0.4
55.64952	0.4
59.01381	7.9
67.63083	0.4
71.01376	0.8
72.99285	1.0
77.17152	0.5
85.02924	0.9
88.93781	0.4
95.04958	0.4
99.00845	0.5
101.02486	0.5
107.05017	100.0
109.06534	0.5
123.04498	2.1
233.11768	0.6
251.12857	2.0
267.16006	0.5
269.13968	3.6
273.69891	0.4
311.11752	0.7
311.15137	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	311.0926
Annotation	Bryacarpene 5
Peak:m/z	Relative Intensity
59.01382	3.6
70.91451	2.5
93.03452	12.1
119.04986	20.2
132.05797	33.0
133.06589	100.0
135.04544	4.7
143.05014	4.1
161.06079	46.7
164.04726	4.9
176.04739	44.0
176.34834	2.6
180.99734	2.9
205.05054	34.1
208.03784	18.5
237.09174	20.7
239.10701	6.2
245.65953	3.1
246.69542	2.5
249.09178	15.0
281.08087	3.6
293.08121	16.2
311.09250	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0561
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
59.01376	1.5
68.24644	0.7
82.30947	0.7
83.74596	0.7
102.15083	0.7
114.64931	0.7
117.03446	9.5
147.04491	7.4
149.02441	3.9
222.06866	1.0
223.07623	1.5
267.06616	100.0
268.03778	7.5
269.13882	3.9
311.05551	6.6
311.14804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94459	0.7
58.85602	0.8
59.01383	1.4
72.01945	0.8
92.20040	1.1
114.41521	1.0
117.26608	0.8
135.04520	1.6
147.26794	0.8
149.02411	7.6
151.03990	1.0
152.01125	3.6
162.15169	1.0
163.04051	1.1
164.04787	31.0
179.07123	10.2
193.01334	7.3
208.03764	69.5
216.67116	0.9
223.06113	100.0
291.07111	1.0
292.27060	1.0
311.07962	1.3
311.11478	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	310.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15810	0.9
68.14665	0.9
71.01353	1.2
82.04094	65.1
84.04520	6.7
85.02917	1.0
98.44781	0.9
102.05586	13.9
116.29533	0.9
137.08073	1.0
140.27922	0.9
141.09206	14.1
144.07733	1.5
155.51714	0.9
164.10797	6.6
168.07762	27.7
206.15443	3.6
224.16547	100.0
248.35013	1.0
250.14558	11.6
266.18671	5.5
267.17081	4.7
267.40359	0.9
302.99399	1.0
310.17728	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	310.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
61.02909	0.6
66.28120	0.6
72.99306	1.5
74.02051	1.0
74.02463	25.0
75.00851	4.6
75.94972	0.6
80.50838	0.8
86.02472	8.1
91.05548	1.1
105.01921	100.0
107.63324	0.7
132.08177	4.2
147.04514	19.2
149.06056	2.7
159.90921	0.6
160.07666	2.7
176.07202	1.3
178.08723	11.7
192.54272	0.7
192.61928	0.6
222.07718	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2436
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
96.96004	7.4
99.08138	7.7
104.14202	5.3
128.66158	6.0
132.75868	5.5
148.56987	5.8
174.69182	5.5
179.14302	5.7
179.35011	6.0
277.21716	55.6
309.20770	22.2
309.24371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28649	1.8
59.01378	2.6
78.55212	2.1
84.61437	1.9
107.72591	2.0
111.08134	8.0
171.10152	1.9
181.44603	1.7
194.48991	1.9
235.16965	2.5
247.20724	3.7
251.20110	4.0
263.20209	4.4
273.18631	19.6
291.19632	65.3
309.17401	4.9
309.20721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42667	1.7
70.62144	2.0
80.02676	9.9
81.03481	2.4
83.05023	27.2
84.02161	10.6
94.52003	2.1
97.06586	4.1
99.08127	3.2
100.56135	2.1
100.93389	2.3
104.39197	2.1
123.08155	2.0
124.93409	2.1
125.09711	3.2
137.09705	49.0
139.11255	13.8
153.09216	3.2
155.10777	38.2
167.10742	4.4
169.12300	2.0
171.10268	48.2
193.12378	15.4
209.11804	2.4
220.61714	2.0
247.20639	2.7
265.21722	3.9
291.19647	51.7
309.20749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58731	1.0
60.56242	0.8
77.54749	0.9
99.08147	100.0
107.08646	1.8
138.13264	1.0
138.37679	1.1
143.77048	1.0
168.14265	1.1
192.82079	1.1
210.12656	1.7
232.06004	1.0
245.74622	1.2
260.99936	1.4
309.20721	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43310	0.8
53.80173	0.9
60.77620	0.9
72.99279	1.4
94.52190	1.0
95.98897	1.0
99.08143	83.0
107.08627	1.7
119.75702	1.1
153.12877	1.8
181.12347	1.5
209.11792	3.7
210.12570	6.5
215.26596	1.0
283.22522	1.2
309.17633	4.1
309.20718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08432	2.8
64.35961	3.1
79.95737	4.0
80.02666	5.2
80.22064	3.6
83.05008	18.0
83.70657	3.1
84.02131	4.3
96.95991	74.8
100.02213	3.0
108.81158	2.9
112.98009	2.9
137.09705	35.2
139.11287	4.9
143.49715	3.2
153.09100	3.5
155.10721	26.4
167.10835	3.8
171.10233	27.6
193.12302	6.6
203.62556	4.3
209.11827	5.9
237.14957	3.1
247.20488	4.2
269.68951	3.2
291.19711	41.4
309.17374	100.0
309.20737	73.7
311.81613	3.0
332.19238	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76209	0.9
59.01371	4.1
59.86732	0.9
83.04976	1.2
113.09712	7.4
115.07663	0.9
137.94994	0.9
139.11264	4.9
141.09183	1.7
154.68478	1.0
157.18121	0.8
165.12820	5.7
181.12341	14.9
183.13956	1.4
193.12373	2.1
193.15927	1.2
199.06543	0.9
210.55901	0.8
211.13417	6.0
247.20677	3.7
273.18597	1.6
291.19672	27.7
309.20734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87901	1.3
59.01365	2.2
67.00623	1.4
71.05029	2.9
73.82623	1.6
83.01408	2.4
97.06566	6.9
123.08100	2.2
125.09690	7.1
139.11266	7.7
163.11290	8.0
165.12810	7.2
167.10680	3.0
179.14381	2.7
183.13828	15.2
193.16035	1.7
207.10225	1.9
209.11829	20.8
211.13272	2.9
247.20596	10.4
256.71597	1.7
265.21799	15.4
291.19659	76.1
309.17334	4.0
309.20709	100.0
325.43506	1.7
326.14838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.0
58.17863	3.1
58.93339	2.6
59.01373	3.3
73.54488	3.0
82.68118	3.0
83.01369	5.6
83.05027	4.8
96.96005	30.6
121.04068	2.6
125.09612	10.8
131.90002	2.8
139.11278	19.3
163.11311	10.5
165.12828	18.1
167.10701	3.6
199.36409	3.0
206.25462	2.9
209.11774	52.7
247.20651	15.2
265.21680	4.7
273.18466	3.6
291.19675	100.0
295.54761	3.3
309.17380	51.4
309.20734	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03450	8.5
59.01388	7.4
59.75794	3.3
64.63528	4.6
72.04808	4.1
80.02678	7.5
96.96013	9.6
99.08119	8.4
104.43122	4.6
106.89659	4.1
121.12566	4.3
123.08127	6.6
125.09705	9.8
128.90504	4.5
134.89375	5.7
137.09650	8.0
139.11276	6.2
151.11232	16.8
155.10722	24.0
165.12801	18.0
167.10716	5.3
171.10272	48.8
181.12267	36.7
185.11792	39.1
191.10741	9.9
193.16034	4.5
209.11867	52.8
245.19257	5.0
247.20575	6.6
257.50323	4.3
263.20160	8.6
267.84433	5.8
281.21268	7.6
291.16794	6.1
291.19629	44.1
308.84467	4.9
309.17288	17.8
309.20657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39847	1.3
58.24557	1.3
61.19020	1.3
62.00283	1.4
70.83585	1.3
80.30351	1.3
81.07099	1.6
99.08134	7.1
101.06055	1.9
106.04198	2.9
122.03732	3.3
136.08859	3.2
137.09685	11.4
150.11952	1.6
151.11273	8.4
161.09665	17.4
162.10524	8.2
165.12827	5.4
167.10728	2.1
171.10281	5.6
179.10779	31.2
180.07916	9.6
183.13852	7.7
185.11758	8.0
209.11797	18.8
219.17516	9.9
223.09602	5.3
227.12932	16.6
247.20592	1.8
248.58844	1.6
250.93756	1.6
273.18387	1.3
291.19653	10.0
309.17126	22.4
309.20709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43298	2.3
52.45635	2.3
59.01361	5.4
94.95258	3.1
97.06580	4.6
111.08136	25.7
112.00562	3.0
151.11282	3.6
162.10506	12.6
162.28488	3.6
163.11313	6.5
165.12788	5.5
171.10284	11.2
175.87820	2.9
179.10727	3.3
180.07681	3.2
181.12445	3.8
183.13921	12.9
197.11861	60.0
209.15440	13.2
211.13339	7.2
211.41620	3.0
219.17551	3.5
223.16969	5.5
247.20644	4.1
251.16592	22.2
265.18179	4.3
281.17548	3.6
291.19681	74.5
309.17142	25.9
309.20718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76268	2.7
57.03441	4.5
71.01354	3.5
79.95746	3.9
80.27891	3.4
96.95995	59.5
113.09692	6.1
125.09647	3.9
129.09245	4.6
151.11266	21.6
153.12816	5.1
165.12823	34.0
181.12347	25.5
191.10764	6.9
209.11894	45.6
211.13387	6.8
247.20650	14.2
267.23663	3.8
291.19681	62.8
309.17398	100.0
309.20786	62.1
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
52.29290	2.7
56.15863	3.2
57.03453	2.9
59.01360	7.5
65.31129	3.5
67.31145	2.9
71.04977	4.1
85.79800	3.1
111.08143	23.2
119.49348	3.6
135.57300	3.9
162.27072	3.6
169.12277	6.3
183.13824	4.0
193.92726	5.1
197.11824	63.0
209.15506	38.8
211.13356	18.6
223.17026	6.5
225.14928	23.0
233.15388	6.0
251.16449	28.1
291.19647	35.4
309.20706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38851	2.4
51.77808	2.5
57.03439	4.5
57.87170	2.6
59.97777	2.6
62.36631	2.5
63.20766	2.4
64.72755	2.4
83.05009	5.6
95.56464	2.9
97.06561	3.4
99.08128	30.5
121.10208	87.9
123.08147	3.2
125.09716	32.3
130.07837	3.4
139.11252	3.6
165.12801	3.6
171.10323	5.0
185.11838	22.5
209.11842	56.0
223.13368	2.9
254.07959	3.4
266.81674	3.0
291.16263	3.4
291.19647	100.0
293.11841	14.7
294.12671	65.8
294.15863	4.2
309.14902	93.0
309.20612	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
65.34768	1.0
73.40212	1.2
75.89612	1.1
82.67631	1.0
92.19261	1.4
99.08122	1.2
113.09775	1.6
126.06873	2.1
141.09164	1.7
165.12892	4.6
167.10600	1.2
167.14401	2.1
181.12224	4.2
195.13855	1.5
211.13342	2.8
213.14955	1.8
247.20610	2.0
273.18597	2.6
281.57187	1.2
286.11224	1.2
291.19662	37.5
309.20728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35304	2.1
52.79542	2.3
53.22013	2.0
53.78386	1.9
59.33458	1.9
60.58929	2.1
80.46423	2.1
110.52116	2.7
111.73315	2.3
113.80582	2.8
153.12869	3.3
165.12775	2.7
197.11816	4.4
262.48312	2.5
265.17398	2.3
291.19684	32.9
309.20746	100.0
328.85114	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	309.2072
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.12025	1.6
53.15053	1.4
53.79862	1.6
53.94873	1.4
56.77945	1.7
57.03454	1.5
71.05010	15.5
97.00506	1.9
97.06561	6.9
107.05022	1.9
117.10004	1.6
119.08698	1.6
121.10226	13.8
123.08134	2.5
125.09698	11.2
137.09753	14.4
143.81847	1.4
148.72260	1.7
171.10228	26.7
183.10205	1.9
185.11775	19.1
197.11906	2.2
209.32747	1.7
251.16553	25.0
280.57098	1.8
291.19653	72.3
309.17200	3.8
309.20715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
97.06615	1.8
119.57321	1.9
125.09692	2.4
162.10471	12.6
163.11275	7.0
165.12808	7.7
166.92969	1.8
167.10645	2.1
179.14340	1.8
209.15491	2.1
219.17499	11.0
223.13390	4.3
237.14919	2.4
242.10094	2.2
247.20674	10.0
264.76767	2.2
291.19681	71.8
309.17206	8.3
309.20691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75633	1.4
57.03441	2.3
59.01353	2.9
75.49739	1.4
96.95985	20.2
97.06586	2.1
139.11263	2.0
155.10771	3.5
161.02443	2.2
171.10240	8.3
183.13828	1.6
184.93170	1.7
185.11746	7.9
219.17398	2.1
237.14706	2.3
247.20634	29.4
265.21677	6.7
273.18530	10.8
291.19595	34.5
309.17276	24.0
309.20657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26826	2.0
53.07878	2.1
54.53347	2.1
59.01379	2.5
88.02328	2.3
90.88541	2.5
99.08138	2.3
127.11314	3.8
129.09271	2.3
145.28169	2.2
153.12820	3.7
155.10782	3.9
167.10757	4.2
179.14400	4.7
197.11867	4.6
247.20641	4.8
265.21512	2.5
291.19659	22.4
309.17245	5.6
309.20737	100.0
309.24142	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74036	2.1
54.73277	2.1
57.27589	1.9
74.50909	2.3
76.80825	2.6
83.04989	2.8
111.08129	22.1
120.33294	2.5
166.75429	2.5
169.12375	9.5
197.11827	100.0
205.55104	2.4
211.13335	11.2
263.20111	5.3
291.19717	17.6
309.20682	58.6
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
53.52926	0.4
59.01376	100.0
71.01353	0.8
73.17567	0.6
84.04530	0.8
85.02956	0.9
98.63914	0.5
101.02449	2.3
113.02452	0.9
132.50209	0.6
136.07674	1.0
137.08000	0.8
152.93018	0.6
161.04605	0.6
190.53490	0.5
195.27032	0.5
216.36887	0.5
223.06471	1.2
249.09683	2.4
249.13379	5.9
309.06262	0.6
309.10062	1.1
327.45529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
62.45633	0.8
79.95728	4.1
91.87757	0.9
92.19936	2.3
93.46851	0.7
96.95993	57.5
101.05985	0.8
101.55534	0.9
122.97569	1.6
125.60030	0.8
129.05594	1.2
132.82262	1.0
168.31291	0.8
182.59821	0.8
186.12827	0.9
209.11876	2.1
291.19785	5.1
309.17429	100.0
309.20526	5.7
328.56268	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	309.1345
Annotation	Pectinolide A
Peak:m/z	Relative Intensity
59.01380	35.0
62.52700	3.7
68.14547	3.6
69.79821	3.7
72.99293	20.9
73.55161	3.6
92.98384	5.0
104.26985	4.4
149.09715	6.6
177.09166	41.8
177.12854	6.0
180.97678	4.4
187.11279	48.8
203.10835	4.9
205.12361	69.4
221.11894	7.3
225.38179	4.3
231.10295	9.7
249.11375	62.6
267.12390	100.0
309.13577	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83751	1.0
56.18473	1.1
57.03453	2.0
57.64971	1.0
59.01376	22.5
59.63122	1.2
72.99297	6.9
75.00875	3.1
84.04566	1.9
85.02939	2.0
85.53428	1.0
105.88502	1.3
117.01924	1.8
119.04988	1.6
121.52577	1.2
129.01859	1.4
130.54581	1.2
135.08160	6.9
136.05295	5.9
145.01401	2.3
145.06570	1.8
149.09755	2.2
150.00360	1.3
157.51923	1.4
159.08133	1.5
161.09694	41.7
165.09137	1.6
177.09235	6.4
177.12854	2.4
179.09175	1.5
179.10715	1.9
187.11247	10.6
203.10858	2.2
205.12405	9.5
221.10081	2.7
249.09152	3.8
249.09912	4.4
249.11578	19.5
267.12421	100.0
276.06726	1.4
309.13675	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	309.1344
Annotation	Pectinolide A
Peak:m/z	Relative Intensity
53.50917	0.9
57.03439	1.7
59.01375	22.7
61.73534	1.1
62.74857	0.8
72.99275	7.9
75.00837	2.1
87.00856	4.2
99.00826	1.2
109.06551	1.7
109.62353	1.1
119.04992	1.5
121.06567	2.1
129.01892	5.0
131.07318	1.0
135.04463	1.5
135.08185	7.6
136.04086	1.2
136.05238	5.1
145.01382	5.3
145.06558	1.2
147.02975	6.9
147.04401	1.3
153.09157	1.2
154.20476	1.1
161.02454	9.9
161.09695	40.1
163.02448	4.4
165.09160	2.6
177.09198	6.7
177.12823	2.3
179.10779	1.3
186.71037	1.1
187.11313	10.0
203.10760	3.6
205.12321	6.3
221.11801	1.4
231.10257	1.7
249.11417	17.1
267.12384	100.0
309.10095	2.7
309.13373	17.8
330.41217	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	309.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80267	1.3
57.03439	2.8
59.01085	2.0
59.01379	51.7
60.97914	1.1
63.52661	1.2
63.60749	1.1
67.20992	1.0
69.91548	1.2
71.01379	26.0
75.00859	7.5
75.97980	1.2
77.49071	1.3
85.02944	9.4
89.02438	33.7
94.50821	1.5
99.04498	6.2
101.02426	17.6
105.12192	1.4
106.81078	1.2
111.20287	1.2
111.80827	1.2
113.02425	9.1
119.03520	11.3
129.01891	1.8
129.05556	12.7
147.06604	15.2
161.04529	6.2
237.06180	2.0
247.87267	1.3
309.11926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.15857	1.1
59.01373	78.7
66.15000	1.2
71.01364	23.0
71.55864	1.1
85.02939	6.8
86.20347	1.4
89.02425	44.2
92.79716	1.5
95.01341	1.2
101.02432	22.0
113.02395	13.2
119.03471	14.6
129.05576	10.0
147.06577	5.7
168.05246	1.3
172.30626	1.3
228.73521	1.4
309.11905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37527	1.2
57.03434	1.6
59.01085	2.4
59.01379	69.5
72.61559	1.1
83.01382	5.5
83.91412	1.4
84.04546	2.7
85.02934	1.4
87.00870	6.3
97.06577	1.9
99.00880	9.3
101.02438	20.5
105.01914	12.6
109.80104	1.2
117.01926	5.5
118.54665	1.2
119.04997	17.0
128.03465	2.4
129.03824	2.1
133.02966	11.8
135.04532	12.3
145.01413	62.1
147.02995	29.5
161.02435	100.0
163.02498	53.9
163.03940	7.4
169.08627	1.4
179.03453	3.2
190.51741	1.4
205.10432	1.9
229.17642	1.4
249.09598	10.7
267.10648	1.8
309.06238	2.8
309.11646	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	308.1867
Annotation	(2R,3S,2'R)-nadolol
Peak:m/z	Relative Intensity
50.38776	0.5
51.07563	0.5
89.45554	0.5
97.59606	0.4
104.57507	0.5
130.08714	100.0
135.08131	0.8
151.11247	0.8
157.52684	0.6
183.99629	0.6
187.97916	0.6
247.66469	0.5
301.11380	0.5
308.18655	28.2
308.22232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63994	0.8
54.02510	0.7
55.39032	0.7
57.87870	0.7
59.01376	1.2
85.02943	1.3
99.00864	6.6
101.02439	3.2
117.01933	1.3
119.05011	1.6
123.40211	0.9
141.34059	0.8
145.01392	6.9
150.03195	5.5
162.03220	81.8
163.03899	1.5
177.05563	27.5
178.02667	11.7
189.01945	1.3
193.05070	32.4
193.98593	3.5
206.02213	100.0
209.00940	7.5
221.04558	29.6
221.10159	4.1
232.00139	3.4
249.09593	5.7
265.03528	4.8
267.10663	2.2
289.76151	0.9
305.11685	0.9
309.02533	59.7
309.11908	1.3
331.32016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62480	1.1
59.01374	16.3
63.29165	1.2
73.05481	1.4
82.02966	18.2
84.04531	58.2
85.02934	19.3
96.53425	1.4
100.04028	24.0
101.02445	2.5
106.04266	1.6
119.04999	44.2
128.03514	33.4
129.01930	5.9
146.06096	35.1
162.02957	1.3
194.67107	1.2
204.10298	18.9
214.57297	1.5
220.09772	41.0
220.11742	2.6
234.11378	9.7
237.87068	1.5
248.09264	100.0
249.10231	1.9
266.10339	72.8
308.11343	21.0
308.14508	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	308.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.2
64.02087	1.3
64.04517	1.4
69.49931	1.3
69.70854	1.4
82.02946	10.5
84.04533	83.4
85.02932	9.3
88.87502	1.6
97.59129	1.4
97.94822	1.6
100.04037	13.8
101.02421	2.1
119.05002	89.1
128.03516	52.6
129.01936	20.0
136.07661	98.1
146.04565	5.5
162.64592	1.5
167.77589	1.6
204.10362	14.1
220.09764	18.4
248.09261	100.0
266.10324	51.0
282.75537	1.7
308.11383	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	308.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17112	1.6
56.36626	2.0
59.01371	8.9
60.36985	1.5
68.15113	1.8
74.05844	1.6
81.75589	1.9
82.02974	7.8
84.04044	3.9
84.04534	86.2
85.02936	8.4
92.19455	2.2
100.04029	12.5
119.05000	82.8
128.03520	60.4
129.01947	15.6
136.07672	100.0
146.04590	9.7
188.05557	2.3
204.10266	13.3
215.85309	2.0
220.09775	19.3
248.09267	89.0
266.10321	39.9
308.11307	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	308.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	25.0
63.91544	1.5
81.23209	1.6
82.02980	9.0
84.04537	13.5
85.02946	13.0
87.71697	1.8
98.02502	5.1
100.04028	13.9
104.93516	1.7
105.03439	2.4
105.36423	1.6
119.04986	6.7
121.02915	2.2
126.05607	43.9
128.03513	2.1
129.01926	7.4
149.06104	2.1
177.50900	2.0
202.08687	2.7
204.10236	8.2
220.09801	41.0
248.09280	100.0
258.31528	2.0
266.10306	41.3
308.07919	6.6
308.11414	16.9
308.15707	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Yaretol
Peak:m/z	Relative Intensity
54.66660	3.7
61.86442	3.2
88.76313	3.6
90.38474	3.6
92.19389	3.7
99.85941	4.0
171.50305	4.0
208.27762	4.1
285.32959	4.0
307.22867	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.2
60.49039	7.4
71.15218	7.9
74.70876	7.9
100.41466	9.6
128.37273	8.5
175.13739	8.3
214.90668	9.3
261.18530	19.7
307.19180	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84622	4.3
59.01383	5.7
65.55947	4.8
83.44164	4.3
92.19933	5.9
93.03484	4.8
96.95986	11.4
143.55676	4.4
145.22830	4.7
151.87997	5.0
185.21315	5.1
185.97649	4.9
189.12772	7.5
219.13939	16.6
245.19128	8.0
249.14943	18.3
289.18115	39.6
307.15619	10.2
307.19086	100.0
314.48053	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	307.1916
Annotation	Albocycline
Peak:m/z	Relative Intensity
56.76676	1.0
68.79892	1.3
69.42965	1.0
72.99306	2.6
75.09850	1.1
76.33656	1.1
94.38944	1.2
97.06571	26.1
119.07275	1.5
151.11252	2.1
157.08601	1.2
181.12337	1.4
192.18600	1.2
197.11864	2.0
210.12611	6.6
253.60191	1.3
277.94931	1.2
289.18137	1.9
291.09091	2.8
307.19162	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	307.1914
Annotation	Albocycline
Peak:m/z	Relative Intensity
61.95679	1.9
65.23119	2.0
76.02444	2.1
81.82918	2.2
97.06561	3.9
99.08152	19.2
109.75154	2.3
124.38674	2.0
153.12892	2.8
175.50064	2.1
307.19168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Albocycline
Peak:m/z	Relative Intensity
59.01376	12.8
95.05029	17.8
109.06572	16.5
113.06035	20.9
113.09693	15.9
149.09715	32.4
151.11285	50.8
194.73721	12.5
196.10251	12.2
209.11778	67.9
211.13467	13.9
289.08194	15.5
289.18127	23.8
307.19214	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66941	6.9
53.44519	7.0
56.00883	6.8
58.47083	6.7
112.87561	8.8
150.53017	9.3
166.44568	8.0
245.19093	9.9
289.18103	38.5
307.19174	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99603	3.6
65.03962	50.3
69.16643	2.7
71.05011	34.8
97.06570	58.1
97.23949	2.8
119.08630	21.9
119.44888	2.6
121.06582	77.2
125.09698	56.0
133.96901	3.2
137.09630	3.4
163.11188	4.5
163.38301	3.1
165.12840	2.8
177.09525	3.4
185.11826	100.0
209.11786	48.6
211.13451	30.3
235.13348	69.3
289.18045	38.1
307.19144	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33106	3.6
60.61247	3.2
84.10979	3.6
90.75211	3.8
115.44896	4.5
123.04488	5.8
125.09672	5.7
137.09755	12.9
141.12866	3.9
163.11320	6.2
168.48027	4.2
176.81322	4.1
180.63177	4.7
185.11806	21.0
191.14383	17.3
207.10277	7.1
225.11333	4.5
245.19057	24.4
289.18115	100.0
307.19199	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.6
68.77212	3.6
72.84913	3.3
102.24610	4.1
134.14012	3.6
138.40425	3.6
141.09196	13.8
163.11227	4.0
179.10738	3.6
181.12375	7.5
187.23398	4.0
191.14426	20.1
206.09399	3.8
209.11775	6.7
245.19019	14.7
289.18045	26.9
307.19150	100.0
325.16803	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	9.3
69.58038	5.8
71.50548	5.3
80.29459	5.8
83.01402	8.8
83.04996	10.3
95.94434	6.2
97.06566	10.2
105.96578	5.8
111.34118	5.8
123.04493	8.0
125.09685	13.8
129.28049	7.4
137.09639	10.8
163.11259	13.9
181.12285	7.7
185.11763	10.0
187.53975	6.1
191.14417	15.2
207.10121	9.5
209.11870	45.4
245.19121	39.1
263.20248	7.5
289.18130	100.0
290.69928	7.1
307.19159	78.1
314.39615	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27388	4.1
57.03441	7.5
59.01358	10.2
71.01372	5.9
78.23139	5.0
83.05017	6.4
97.06564	8.0
111.08139	19.9
118.86324	4.7
139.11754	5.1
151.11263	23.6
155.10693	9.9
165.12802	24.8
179.10780	5.6
181.12373	39.5
191.10797	10.9
197.11873	6.9
205.12419	5.5
209.11812	69.7
245.19063	23.5
263.20047	7.5
289.18130	35.7
307.19080	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91123	6.4
59.01376	13.7
62.41713	6.5
77.77140	6.1
95.04987	12.7
96.96016	6.6
97.84401	6.5
103.01395	7.2
105.82874	6.8
125.09714	16.5
143.01915	7.5
163.11310	15.7
204.52026	7.3
207.10271	11.5
209.11734	12.2
211.13272	13.4
245.19106	37.5
276.59387	6.5
289.18085	78.1
307.19156	100.0
307.22757	79.6
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
55.49640	18.6
59.01360	27.9
59.67525	18.7
73.95760	19.5
76.56212	22.6
116.98689	23.0
165.12726	48.2
181.12300	23.4
186.45609	19.9
209.11836	37.9
289.18231	30.2
307.19122	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	307.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42927	1.3
55.03000	6.9
56.85647	1.5
58.02969	3.9
58.04096	1.8
59.01375	28.0
59.91243	1.3
62.82347	1.5
71.01373	9.6
85.02942	1.9
89.02419	7.3
101.02421	6.8
112.08784	6.4
113.02415	2.8
121.02929	13.9
127.07681	2.3
129.10316	29.0
135.03484	3.4
135.04509	100.0
145.08682	17.6
154.09752	2.0
169.51413	1.7
234.11320	3.1
250.13220	29.0
265.12970	5.6
265.15558	46.5
290.15137	36.0
292.15475	6.9
307.08575	2.1
307.13965	42.5
307.17752	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20592	21.9
65.03957	36.3
69.21299	19.5
71.05009	31.0
74.89948	19.4
87.66855	22.9
97.06610	41.7
99.04765	22.1
121.06546	100.0
125.09715	40.8
185.11771	26.6
235.13399	40.4
255.64725	24.2
263.96725	22.8
289.18008	37.2
307.19162	53.8
307.23044	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	307.1397
Annotation	NSC-224070
Peak:m/z	Relative Intensity
59.01378	46.6
61.19933	1.2
71.01368	17.4
74.94540	1.1
80.78618	0.9
83.01399	1.0
85.02933	5.2
89.02428	31.8
92.19304	1.2
99.08135	15.9
101.02433	18.7
104.82642	1.3
113.02406	10.3
117.72740	0.9
119.03508	12.6
127.07648	4.5
129.09186	2.4
141.09203	1.2
145.08691	74.3
156.81259	1.2
159.69240	1.2
307.14005	100.0
321.64948	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	307.1397
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.26887	0.9
53.32823	0.8
53.62363	0.8
55.16702	0.8
57.03449	0.9
58.41437	0.9
59.01376	32.9
62.61542	1.0
65.06149	0.9
67.04819	1.0
71.01377	17.4
73.02933	4.0
75.25858	1.1
79.22435	1.0
83.01361	1.9
85.02940	6.4
87.00835	1.5
89.02425	13.6
101.02412	17.6
103.40366	0.9
105.32870	1.1
107.28657	1.0
113.02439	5.8
119.01707	0.9
119.03520	2.4
120.99628	74.2
127.07634	4.0
129.10413	1.2
135.04523	4.1
145.08685	44.1
160.06892	1.0
204.53371	1.1
219.10591	1.7
265.15613	1.5
290.15198	1.8
307.04654	1.5
307.14038	100.0
307.16910	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	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
66.23734	0.4
71.01370	4.0
75.26732	0.4
85.02956	1.6
87.00865	0.6
89.02437	5.4
101.02433	3.3
102.98566	4.0
113.02445	2.0
119.03497	2.1
120.99622	3.6
124.01617	0.5
126.15876	0.4
131.23357	0.4
164.01199	0.6
169.83368	0.5
174.03088	0.5
177.09514	3.0
178.09972	0.7
263.13028	0.4
307.04837	0.8
307.08646	0.6
307.14233	4.3
313.63666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39650	0.7
56.94314	0.8
57.03454	1.2
59.01378	100.0
59.65476	0.7
69.23413	0.9
71.01376	4.6
73.02934	4.3
73.60990	0.9
83.01370	1.3
83.57085	0.8
84.11552	0.8
85.02917	1.8
89.02415	1.4
92.19981	1.1
99.04488	1.1
99.05962	0.9
99.44779	0.8
101.02420	9.6
113.02415	3.8
116.05343	0.9
133.06532	0.9
135.04503	26.9
161.04543	1.4
235.65428	0.9
237.04060	1.2
265.13000	6.8
273.86960	1.0
307.04578	5.2
307.07980	1.6
307.13104	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49290	0.6
56.29848	0.7
57.03423	1.1
59.01375	100.0
60.19835	0.6
62.50552	0.6
63.51244	0.6
68.12949	0.7
71.01376	12.7
73.02929	6.1
74.80058	0.7
83.01364	3.2
85.02940	8.9
87.00853	0.9
89.02437	10.2
90.21651	0.7
92.19858	1.3
92.56520	0.7
95.53914	0.8
96.72417	0.7
99.00886	1.0
99.04536	0.8
101.02425	17.7
113.02419	9.4
119.03499	1.1
122.27880	0.7
124.04022	1.4
135.04515	5.0
159.02927	1.0
161.04523	5.3
215.09184	0.9
221.10219	0.8
245.09508	0.9
247.11975	1.0
265.12909	19.8
307.04749	3.2
307.08578	4.1
307.13721	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57128	0.5
56.49801	0.5
58.99597	4.3
59.01372	4.8
79.90726	0.6
80.80537	0.6
85.73721	0.5
87.00859	3.2
129.09171	0.9
133.06924	0.9
140.62964	0.6
155.98958	0.7
159.67720	0.5
177.09528	100.0
225.04929	0.6
247.10141	7.0
265.11151	18.0
307.12170	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	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99607	5.4
59.01378	5.5
66.34012	0.7
85.02934	3.5
87.00874	4.4
145.02916	1.3
177.09532	100.0
247.10023	8.4
265.11133	18.9
307.12167	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49649	1.0
52.67326	0.9
56.98023	1.9
58.15031	0.9
58.99603	100.0
59.01359	1.4
59.84619	1.0
59.98817	0.9
63.96175	1.0
74.99077	11.5
80.49957	1.2
82.26208	1.4
87.00883	9.1
90.85548	1.1
136.99091	1.7
161.27156	1.1
177.09532	25.2
185.11833	30.7
219.10608	41.9
247.10120	21.3
265.11063	5.2
307.12241	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09682	0.6
55.01865	1.2
57.03448	8.5
58.99607	3.8
59.01386	6.6
77.91129	0.7
85.02936	100.0
87.00844	1.5
100.39216	0.8
117.03425	5.5
119.05019	2.9
129.01932	1.2
145.02937	70.9
154.99837	1.0
159.08087	1.8
161.04509	5.9
163.04005	1.5
168.99779	0.8
177.09526	62.2
187.07629	4.7
231.06627	1.1
247.10097	6.5
265.11118	8.5
307.12152	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	307.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91682	1.2
54.09866	1.1
55.85004	1.1
57.29166	1.4
58.00605	1.4
59.01084	2.2
59.01377	60.2
59.31071	1.3
67.44292	1.4
71.01372	24.4
72.99303	1.4
73.02930	7.2
75.00849	1.3
83.01376	3.4
83.05016	1.8
85.02946	10.9
89.02431	31.1
98.39304	1.6
101.02431	28.9
102.21957	1.3
113.02412	11.5
119.03491	8.2
127.04011	11.9
171.37682	1.4
243.19576	1.3
307.10352	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	306.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62007	0.9
57.67961	0.8
61.68253	0.8
86.02466	1.6
131.92728	0.8
133.38315	0.9
155.10719	2.0
167.10718	4.5
183.10167	1.1
185.11813	67.8
201.09428	1.0
219.10591	100.0
306.13806	62.8
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
54.82671	1.6
59.01366	6.9
65.65882	1.5
66.71745	1.6
73.30396	1.5
73.52225	1.4
100.44151	1.9
115.96693	1.8
305.24844	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	306.0766
Annotation	Glutathione
Peak:m/z	Relative Intensity
51.25055	1.9
51.96644	1.9
52.87363	1.6
58.02974	7.4
58.42455	1.7
67.56570	1.7
69.78123	1.7
74.02466	24.7
86.02467	12.1
87.05624	10.8
99.05632	27.6
99.36492	1.8
101.07211	3.2
116.01708	3.3
123.05605	2.2
125.03603	2.2
128.03535	61.8
135.05618	4.9
137.07172	2.0
141.06668	9.6
143.04620	100.0
145.06142	3.0
146.04588	10.0
153.06656	3.0
160.00752	19.7
167.04582	8.2
177.03374	7.6
179.04633	15.1
185.05716	2.3
197.05664	2.7
204.52870	1.8
209.11972	1.8
210.08952	13.9
241.85571	1.9
254.07771	16.3
272.08945	31.3
288.06610	10.0
306.07669	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10464	1.3
99.19985	1.5
124.01631	18.1
137.02420	19.0
138.03181	4.2
139.03998	19.4
150.44974	1.8
151.04004	2.7
164.01152	6.5
166.05057	14.2
175.03993	99.5
177.01874	2.7
184.20224	2.0
187.04002	1.8
188.04741	3.5
189.01894	3.1
202.08667	3.1
203.03528	3.0
208.14609	1.7
219.09001	74.0
230.08195	17.9
232.09753	8.4
234.11354	100.0
246.07632	3.9
247.08487	15.1
262.10785	13.4
288.08755	2.1
305.00296	2.2
306.09949	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	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01366	38.7
65.19568	24.9
71.04993	51.1
74.57122	22.3
74.90041	32.2
76.12263	26.7
85.77397	24.9
92.26357	24.7
109.35713	24.4
178.94139	25.2
265.59686	27.2
287.16467	58.3
305.17810	100.0
305.21143	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	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
58.97607	3.8
66.55743	3.7
79.05515	6.8
80.93456	3.9
97.06572	24.1
123.08135	7.5
125.09698	20.2
135.08144	100.0
185.11699	4.8
205.15996	7.3
211.85362	3.9
249.14972	49.5
287.16504	6.2
290.11615	5.2
305.14285	7.7
305.17538	97.6
313.92505	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	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01399	10.3
66.85307	6.6
77.36464	7.0
106.03609	7.5
118.70259	7.4
135.08141	47.2
185.11760	55.6
243.17476	12.4
287.16507	39.5
305.17645	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	305.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99451	1.6
76.06396	1.9
80.04213	1.5
93.20451	1.7
119.70187	1.6
134.03726	57.9
135.04489	6.4
148.05289	13.9
149.06071	77.4
150.03291	1.8
161.02448	3.4
161.06096	14.4
162.03239	9.2
171.61397	1.6
175.45216	1.8
186.33868	2.0
190.04997	11.2
200.54051	1.8
204.06622	28.3
210.72452	1.6
218.08110	2.7
232.09676	2.1
247.10841	18.2
247.13219	5.6
248.11598	13.9
263.13968	10.0
268.66028	1.5
272.10440	21.6
289.13046	43.1
290.13821	26.3
305.16199	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	305.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30868	0.9
55.25121	1.5
59.01376	100.0
71.01371	5.4
71.68462	1.2
73.02934	2.5
74.99072	1.3
79.13791	1.1
85.02914	3.0
88.69305	1.2
89.43186	1.2
101.02417	9.2
106.72473	1.4
113.02433	2.8
150.05717	1.3
183.69318	1.4
193.51405	1.3
239.14325	1.3
239.37242	1.2
257.94153	1.5
263.14984	8.7
305.10739	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	305.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19584	1.2
53.60522	1.3
54.59861	1.2
55.16574	1.3
59.01373	3.3
66.23631	1.4
71.01328	1.9
75.89481	1.7
79.79309	1.6
82.15845	1.5
88.83147	1.7
101.02382	2.2
134.03729	61.7
135.04524	7.7
147.12566	1.6
148.05287	16.6
149.06076	70.7
161.02460	2.4
161.06128	11.4
162.03195	9.1
167.97327	1.9
176.03476	3.3
182.39998	1.6
190.05222	11.7
199.06758	1.7
204.06685	30.2
218.08307	3.0
232.09662	2.0
245.13844	1.8
247.10837	20.2
247.13246	6.4
248.11690	9.5
263.13995	13.3
272.10400	21.9
288.13513	3.0
289.13046	49.4
290.13843	25.3
293.55914	1.6
305.12735	3.6
305.16177	100.0
305.19717	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	305.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52735	0.7
59.01376	100.0
71.01373	20.2
71.05037	0.8
73.02928	9.6
75.34396	0.7
83.01364	3.8
85.02934	10.3
89.02425	13.5
95.01383	1.4
99.00880	3.6
101.02428	26.4
101.06041	1.3
113.02428	12.2
119.03474	4.5
138.05586	1.6
157.07654	0.8
159.02968	1.6
161.04538	7.1
201.11279	0.9
218.50613	0.8
245.10258	1.4
261.08646	1.3
263.11331	14.4
293.56952	0.8
305.12506	1.6
305.16052	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	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54714	1.6
57.03434	4.2
58.07638	1.7
59.01376	100.0
60.01726	1.9
62.88882	1.9
66.69661	1.7
69.03438	2.9
71.01371	40.0
71.22102	2.0
72.99284	2.2
73.02938	2.5
74.01962	1.9
80.96508	2.3
81.07082	9.3
83.04990	2.1
84.32739	1.9
85.02937	7.6
88.04021	2.5
89.02432	61.9
95.01345	2.8
101.02425	27.4
103.04022	2.2
110.64140	1.9
113.02440	19.6
119.03484	17.8
125.06056	3.5
128.07159	3.3
129.07480	3.5
131.03461	2.1
141.28926	2.2
144.04477	2.7
173.09656	2.7
189.06642	2.3
201.09677	7.5
226.43826	2.1
233.15373	2.5
261.08600	3.1
261.11670	8.3
263.14899	7.8
304.36969	1.9
305.07526	4.2
305.12357	70.8
305.15994	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1145
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
57.94387	1.0
59.01379	4.4
71.01356	8.1
104.56467	1.1
145.07712	18.8
159.09175	1.8
160.04311	1.3
160.06413	45.8
161.07195	96.5
171.09294	1.3
173.07195	1.4
173.10809	8.1
175.08762	50.2
185.10835	6.9
186.07977	4.5
187.08771	22.2
189.06700	100.0
201.10316	40.9
203.08267	27.1
203.11888	28.5
211.08678	1.5
213.78542	1.2
217.09718	2.0
229.09825	68.2
245.09325	1.5
277.11838	10.7
305.11438	66.3
305.15005	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	305.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
63.61190	0.6
68.27191	0.7
69.03437	0.7
70.71431	0.6
71.01371	8.7
73.02941	5.5
83.01384	0.9
85.02928	4.0
87.00871	1.5
88.04014	5.1
89.02419	4.4
96.95969	0.9
99.05630	1.1
101.02421	8.2
103.04069	0.6
107.25044	0.7
109.06582	1.1
111.04522	0.7
113.02444	4.5
115.00364	4.5
116.47530	0.7
119.03465	0.9
126.39688	0.6
132.03014	1.3
136.93970	0.6
141.05719	0.6
141.06720	3.3
147.05894	0.9
148.04272	0.7
161.04434	2.5
175.04308	3.3
189.06981	6.7
190.05411	3.4
198.68326	0.7
206.67834	0.7
243.69363	0.8
261.08969	0.6
263.11319	4.5
275.10458	0.7
305.08322	9.6
305.12228	3.5
305.15762	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	304.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69741	1.9
55.33758	2.2
59.01381	100.0
71.01369	9.0
71.05016	16.8
88.04028	20.5
97.91842	2.5
98.02445	4.0
126.09252	33.4
128.06302	4.3
128.07173	80.2
139.07715	3.2
144.03015	10.9
146.08221	21.8
200.09306	75.4
218.10313	13.4
260.11414	96.1
300.53937	2.6
322.13654	2.8
323.37445	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	305.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
85.44657	0.6
85.68918	0.6
101.57685	0.7
141.01695	64.1
187.46426	0.7
189.34267	0.6
223.02057	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	305.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63525	0.3
59.01385	0.5
62.91597	0.3
69.47912	0.3
71.01387	0.4
82.02989	2.7
89.02472	0.5
89.51863	0.3
92.61108	0.4
96.04533	2.6
117.59898	0.3
120.04541	0.4
122.03692	1.7
122.06099	1.5
136.04044	0.6
138.05600	100.0
160.06387	0.7
161.07204	0.7
171.52995	0.3
188.07069	0.4
189.06636	0.8
190.08730	0.4
191.08203	0.4
201.10297	0.4
202.08707	0.6
203.11986	0.4
216.10283	0.4
218.06911	1.7
218.11891	1.9
229.09830	1.5
233.09311	6.1
244.09702	1.4
245.09372	0.5
261.12457	8.0
287.10391	1.3
305.11420	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	303.233
Annotation	8,11-eicosadiynoic acid
Peak:m/z	Relative Intensity
54.40872	1.6
59.01375	7.9
62.69369	1.6
66.69852	1.8
218.22775	1.9
234.26163	2.1
259.24274	8.3
285.35376	1.9
303.19754	3.6
303.23294	100.0
308.57416	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	304.001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	1.9
59.01378	59.5
60.01701	5.6
61.98826	100.0
69.61326	1.1
87.65110	1.1
89.68932	1.3
90.93094	1.1
92.19963	1.1
106.85984	1.2
115.02441	1.3
116.02630	2.0
117.00430	2.2
117.02236	2.1
118.00455	2.0
119.00181	2.4
159.01480	14.2
160.01613	41.4
161.01195	37.6
161.98940	25.4
162.01591	11.0
202.02705	9.0
203.02313	6.9
203.99976	5.4
204.02689	2.7
211.24210	1.1
220.39526	1.4
259.23630	1.2
262.01718	1.9
303.99930	18.1
304.02704	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2176
Annotation	9,10,16-trihydroxy palmitic acid
Peak:m/z	Relative Intensity
59.01387	1.1
99.08109	1.3
112.73344	1.1
113.06103	1.4
114.08865	1.2
115.07642	2.3
119.48769	1.0
150.40828	1.1
151.26755	1.0
159.92813	1.0
167.40109	1.0
169.12299	1.8
185.11797	19.2
199.13486	3.7
215.12924	10.2
221.52031	1.1
249.18567	2.1
267.19769	4.4
283.19113	1.1
285.20724	14.1
303.21774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.233
Annotation	8,11-eicosadiynoic acid
Peak:m/z	Relative Intensity
50.88652	1.0
59.01376	9.3
64.19264	1.2
93.23407	1.2
102.67446	1.1
123.11300	1.4
136.37880	1.2
151.73032	1.3
259.24252	2.5
303.23306	100.0
315.55551	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	303.2177
Annotation	9,10,16-trihydroxy palmitic acid
Peak:m/z	Relative Intensity
50.44064	0.6
59.01360	1.0
60.15060	0.6
63.69030	0.6
66.10738	0.7
66.67866	0.6
66.78006	0.6
68.17646	0.6
68.84112	0.6
76.16560	0.5
85.06570	0.6
88.03554	0.7
115.07627	4.3
125.99104	0.7
130.81856	0.7
169.12317	1.2
181.12325	0.8
185.11809	17.0
199.13399	3.2
215.12886	20.3
249.18568	2.6
267.19659	4.0
283.19165	3.1
285.20740	16.8
303.21783	100.0
322.20197	0.6
323.73532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27477	0.9
53.30462	1.0
55.68481	1.1
57.06004	1.0
58.02435	0.9
59.01377	35.2
60.11448	0.9
69.99211	1.0
71.05006	2.6
99.61523	1.2
101.06068	6.4
125.09676	2.6
139.11282	2.3
153.12811	1.9
167.10713	2.6
181.12425	1.3
183.10315	1.3
185.11806	24.2
195.13864	1.3
197.15469	2.3
199.13429	4.5
201.11295	2.4
203.11977	1.1
215.16507	12.4
243.12346	5.9
243.16023	7.8
261.17059	100.0
303.14462	16.5
303.18124	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	303.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35684	1.6
52.44482	1.5
59.01372	2.3
63.92117	1.7
70.00043	1.4
83.97887	1.6
92.19373	3.3
115.07613	7.5
167.14345	4.1
185.11821	26.6
187.28073	2.0
211.13445	15.6
215.12845	25.3
216.71510	2.1
218.65956	2.0
229.14471	20.3
283.19156	3.0
285.20700	12.8
298.25549	2.1
298.28989	2.1
303.18347	8.8
303.21762	100.0
321.53253	2.3
323.33551	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	303.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95534	1.6
59.01380	24.0
59.62685	1.3
67.93645	1.9
69.03452	2.3
92.19963	2.2
106.06920	1.8
106.25084	1.9
107.01332	1.8
110.02454	7.9
139.11278	3.5
149.52232	1.8
153.12846	100.0
159.19443	1.6
163.11287	19.4
169.12283	3.3
181.12326	37.4
183.10211	1.9
197.11838	3.5
199.13400	67.5
201.11295	10.6
215.12825	13.3
225.11371	23.6
243.12366	98.3
261.13452	56.2
261.16568	2.1
265.07169	1.8
272.66516	2.2
290.00861	1.8
291.49011	1.9
303.14526	68.4
303.17957	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	303.1449
Annotation	Urechitol B
Peak:m/z	Relative Intensity
59.01082	4.0
59.01375	98.5
59.74099	2.3
72.83964	2.5
102.98592	2.7
110.02468	4.1
111.02749	3.0
139.11281	39.9
153.12837	17.4
155.10771	40.7
163.11325	6.1
171.10229	13.3
181.12318	25.3
183.10216	34.1
185.11862	2.6
197.11758	4.1
199.09741	4.4
199.13359	67.8
201.11330	67.9
217.10837	28.1
219.31506	2.4
225.11311	12.8
243.12392	86.3
259.11819	10.2
261.13400	63.6
261.17010	12.6
303.14487	100.0
303.17953	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	303.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47477	0.8
54.59709	0.8
54.96173	1.0
55.25716	0.9
57.03444	1.1
59.01089	2.0
59.01380	56.6
61.98829	1.6
63.37399	1.1
73.02939	1.9
75.00883	1.7
83.05016	15.1
87.00858	7.5
88.16815	1.0
89.58157	1.2
93.03435	1.5
93.07084	1.5
97.06593	1.2
99.04491	6.3
105.44741	1.1
110.02476	2.6
111.02810	1.7
111.04498	1.3
121.53445	1.2
123.08162	1.0
125.06010	1.2
129.05481	1.3
141.05597	1.8
146.27206	1.1
159.06621	14.9
163.11310	4.8
165.09171	7.2
197.11920	1.3
199.15361	1.5
205.12408	1.8
223.13356	4.4
225.11295	5.0
241.14398	1.7
243.12393	17.3
285.13431	6.9
303.14493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1448
Annotation	Urechitol B
Peak:m/z	Relative Intensity
51.43178	1.1
53.15693	0.9
54.39941	0.9
55.01874	1.5
57.03434	1.4
58.94684	1.0
59.01373	12.9
68.26275	1.2
69.03439	5.3
71.01369	5.6
71.05003	2.0
72.99291	16.7
73.02933	2.1
75.00854	1.0
81.03469	4.5
83.05027	6.1
85.02934	4.8
85.06575	6.0
87.04491	1.5
95.05007	1.9
97.02975	1.8
99.00864	41.1
99.04510	7.4
101.02420	4.5
101.06064	2.3
109.06593	1.6
111.02750	1.2
111.04504	1.9
111.08128	7.5
113.06084	1.4
115.04050	1.6
115.07561	1.0
117.01968	7.7
120.33654	1.3
120.99633	1.7
121.06572	5.2
123.04503	4.9
123.08133	2.7
125.06083	2.2
131.03461	2.2
133.06615	2.4
139.07593	1.5
149.09746	5.2
151.04004	1.6
154.52655	1.0
169.05113	2.0
177.05563	1.8
205.12328	1.4
243.12276	1.1
258.57166	1.1
261.13480	2.3
285.13617	2.0
303.14499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72389	1.0
59.01381	10.1
61.33363	1.2
74.32040	1.2
79.33009	1.5
81.81483	1.2
83.05042	1.4
85.02956	6.0
157.08659	8.1
163.11250	2.0
169.12425	1.7
176.05699	1.4
181.10835	2.0
181.12340	30.1
197.11810	11.2
199.13405	6.2
215.12941	19.8
225.11336	50.1
241.05397	1.8
243.12366	100.0
261.13431	61.4
303.14496	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	4.4
59.01374	100.0
68.81562	2.0
71.01364	2.7
119.81738	2.2
139.11279	40.8
153.12820	18.1
155.10709	3.8
156.43990	2.6
163.11227	10.9
171.10216	3.9
181.12343	27.1
183.10226	26.4
188.15387	2.5
197.11768	2.4
199.13405	63.0
201.11345	58.8
225.11299	10.2
243.12338	73.7
261.13419	54.0
296.29214	2.3
303.14481	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89814	1.3
59.01374	17.2
63.04226	1.4
96.80421	1.5
110.02470	5.5
111.02810	2.6
153.12837	79.0
163.11230	15.2
169.12355	2.8
171.10280	14.0
181.12308	43.8
197.11798	9.9
197.85869	1.6
199.13388	45.7
200.61736	1.4
215.12947	10.5
225.11319	13.9
243.09866	3.4
243.12355	100.0
252.02138	1.7
261.13437	34.8
303.14481	51.8
303.17911	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	303.1448
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.65969	1.9
57.03460	1.7
59.01382	27.7
65.55061	1.7
71.01378	2.4
73.02949	8.7
83.05038	2.7
85.06604	2.3
88.87862	1.5
99.04520	2.6
101.06059	2.3
110.02487	6.8
111.02807	3.2
111.04513	2.1
111.08138	2.8
115.03981	16.2
123.08144	3.3
127.07634	6.4
129.05504	1.9
141.09267	4.1
145.05063	7.0
157.08699	2.1
162.24532	1.9
184.66232	2.0
215.45218	1.8
223.13377	1.8
241.14442	2.4
243.12354	3.0
261.13290	2.0
285.13519	9.5
288.11157	3.8
303.14520	100.0
303.17899	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	303.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80363	1.2
59.01368	8.7
59.24651	1.2
76.52679	1.2
80.88464	1.1
85.02967	2.3
100.43931	1.4
110.02474	9.6
111.02798	8.0
140.00873	1.4
152.21539	1.2
153.12843	6.8
157.08688	4.8
163.11292	2.3
173.55275	1.3
181.12329	30.9
197.11829	11.6
199.13477	12.7
215.12881	11.8
225.11325	35.9
241.05411	1.7
243.12361	100.0
261.13419	59.5
303.14493	44.3
312.30029	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	302.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36787	1.0
58.69446	0.9
59.01370	6.5
59.48071	1.1
68.77229	0.9
79.17667	1.1
93.63144	1.0
102.98604	8.0
110.02460	57.4
111.00864	1.0
120.99660	1.2
128.03511	9.7
153.12845	4.7
157.88203	1.2
163.11215	2.1
180.13889	4.3
181.12302	4.0
196.06038	1.6
198.14993	100.0
199.13405	4.0
214.14481	12.2
224.12921	14.4
225.11469	1.6
240.05042	7.9
242.13972	33.7
243.12335	1.7
246.16719	1.2
260.12231	1.7
260.15002	41.8
302.05173	1.6
302.12778	2.1
302.16080	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09391	0.6
68.01424	1.5
68.99818	0.8
70.02965	1.3
75.76891	0.7
77.22360	0.6
95.06971	0.6
96.00884	1.1
97.01683	3.0
98.02464	100.0
110.02457	8.4
116.05037	13.4
129.36607	0.7
130.05099	7.8
153.12880	3.8
199.13487	1.0
227.08250	51.2
243.12399	1.3
259.10904	0.8
261.13223	1.0
303.14395	1.2
318.45767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50797	1.5
71.01369	27.0
84.49727	1.7
88.04028	66.9
97.06586	4.1
106.45327	2.3
110.02434	18.1
115.00376	26.1
125.09698	94.2
132.03029	9.6
142.12331	2.0
186.11339	100.0
187.09752	37.7
196.13481	2.8
210.53033	2.5
256.60049	2.0
258.13455	10.6
284.11481	3.4
302.12454	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00324	3.1
56.21071	2.9
60.22490	3.0
60.75237	2.8
63.12403	3.1
66.92345	3.3
71.01364	31.2
76.26669	3.4
88.04023	65.9
115.00348	24.5
125.09703	93.5
132.03004	5.9
186.11330	99.0
187.09735	33.9
196.13388	4.0
214.07997	7.3
242.86409	4.3
258.13449	6.6
302.12460	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	302.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83675	0.3
75.53412	0.3
110.02460	100.0
111.00886	3.7
127.97062	0.3
128.03513	14.6
134.06105	0.5
146.04578	2.5
152.07141	0.9
177.38695	0.5
178.05043	0.5
186.12474	0.4
196.06119	3.3
222.49948	0.4
237.83095	0.4
240.05138	22.5
284.04138	2.0
298.03088	0.4
302.05164	3.4
302.13162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01370	1.0
71.01355	0.8
72.00896	14.6
76.41464	0.7
81.84868	0.6
86.29233	0.6
87.00878	0.8
87.84323	0.7
93.03442	1.2
94.03793	1.5
110.02457	100.0
111.00854	3.4
114.09256	0.7
125.09719	1.2
128.03519	16.9
128.61140	0.7
137.02437	2.8
138.02760	4.4
139.02911	3.1
139.11259	5.4
140.03207	2.6
150.06305	0.8
151.11273	2.8
152.07178	1.3
167.10701	1.3
172.04350	3.1
177.31186	0.8
178.12366	1.6
195.10223	1.6
196.06161	1.5
196.13394	13.8
211.09651	1.2
222.11348	3.5
232.29472	0.8
239.09172	3.9
240.05125	19.0
240.12546	2.8
266.10434	5.9
284.04272	3.2
284.11386	40.5
302.05124	1.6
302.12442	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55001	0.4
54.58903	0.4
58.72681	0.4
61.08434	0.5
71.50993	0.5
72.56915	0.5
81.78659	0.5
110.02460	100.0
111.00873	3.1
117.39597	0.5
128.03523	14.0
141.49525	0.5
146.04590	0.8
152.07117	1.1
157.74545	0.5
161.11093	0.5
196.06177	3.8
240.05136	19.2
247.10791	0.5
284.04083	1.2
302.05219	3.8
313.13626	0.6
313.85208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2172
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
51.94407	1.5
54.76176	1.9
65.16625	1.4
73.58934	1.4
106.13164	1.4
108.78477	1.6
112.93539	1.8
113.53348	1.7
149.12791	1.9
155.05231	1.6
165.21077	1.6
194.66164	2.1
262.72604	1.8
275.90121	2.0
301.16501	3.2
301.21707	100.0
301.25165	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	301.2172
Annotation	Eicosapentaenoic Acid
Peak:m/z	Relative Intensity
56.70964	2.4
59.01374	15.8
117.78469	2.9
128.46519	3.0
130.35222	2.9
130.82201	2.8
138.96298	3.0
203.18033	5.7
257.22678	23.6
301.21710	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	301.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31668	2.1
58.03312	2.2
76.80368	2.1
78.34835	2.2
96.60525	2.7
98.32749	3.3
107.69014	2.3
217.07269	5.2
285.13367	3.1
297.33923	2.4
301.21729	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	301.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19854	0.5
92.53879	0.5
109.78578	0.5
124.53052	0.5
125.41171	0.6
184.32115	0.6
283.20670	100.0
301.21408	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	301.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42635	0.8
66.41305	0.8
67.43144	0.7
78.78954	0.8
80.76152	0.8
118.45757	0.8
126.30515	0.9
134.01952	0.8
156.00504	0.9
213.50352	0.9
283.20563	9.7
301.21732	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	301.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
92.19390	0.5
94.07457	0.4
197.11810	0.7
259.11642	0.6
283.20682	19.1
301.21725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.202
Annotation	Emedastine
Peak:m/z	Relative Intensity
50.82278	1.5
56.08269	1.5
56.08543	1.7
57.39855	1.5
57.62271	1.4
61.11312	1.6
80.41438	1.8
93.29233	1.8
115.07630	85.9
115.08442	2.8
127.52421	1.6
129.09204	2.2
139.11252	2.8
153.12883	8.0
185.11815	100.0
197.11861	11.5
215.12863	2.7
239.20084	12.9
301.20258	91.3
301.23849	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	301.2019
Annotation	Koninginin G
Peak:m/z	Relative Intensity
52.64027	2.4
55.04701	2.7
58.07106	3.2
59.01379	40.8
60.20144	2.7
60.44112	2.5
74.49239	2.7
78.95868	3.6
82.54893	2.5
149.05864	3.0
175.20119	3.2
188.06572	3.9
196.89998	3.8
197.11839	4.5
213.07707	7.3
221.19006	4.2
239.20172	48.9
241.10762	11.4
241.18076	100.0
255.74521	3.1
283.19089	5.6
301.20258	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2172
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
52.65187	2.8
56.06073	3.2
63.44570	2.8
86.31040	3.3
195.06816	4.1
197.11996	4.1
217.07146	16.9
265.93652	3.7
285.13211	6.3
301.16544	15.7
301.21719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
63.75435	0.7
68.23679	0.8
83.50369	1.0
83.61255	0.9
85.44855	1.0
108.53973	0.9
161.06418	2.2
217.07201	75.5
254.01108	1.1
285.13477	40.8
301.16602	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	301.2019
Annotation	Koninginin G
Peak:m/z	Relative Intensity
51.53344	0.7
57.03444	3.8
64.30194	0.8
71.05007	1.0
85.06563	1.0
92.19915	0.9
97.06579	5.1
99.08142	22.9
109.59081	1.2
115.07658	0.9
117.71037	0.8
127.11316	1.2
129.09213	3.3
139.11261	3.9
143.07169	1.3
155.10776	5.2
169.12302	8.3
183.13885	1.4
185.11800	1.3
185.23370	0.9
201.11330	4.8
254.83582	0.8
257.33813	0.9
283.19125	1.9
301.20242	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	301.202
Annotation	Emedastine
Peak:m/z	Relative Intensity
55.90757	2.7
56.92929	2.3
66.67979	2.9
73.37494	2.8
74.90210	2.6
80.35313	3.1
86.97287	3.1
88.07380	2.7
91.21479	3.6
115.07620	60.3
153.12849	58.7
175.24319	3.5
185.11800	91.8
195.32230	3.0
197.11839	88.0
215.12846	56.4
239.20186	14.4
301.20255	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	301.1445
Annotation	Enterodiol
Peak:m/z	Relative Intensity
51.14457	1.2
55.65848	1.4
59.01373	1.8
59.14755	1.4
73.04881	1.6
93.03430	11.2
106.04192	2.9
107.05054	1.7
118.08788	1.5
119.05019	35.2
120.05780	2.0
133.28084	1.5
135.08231	1.4
159.59747	1.4
159.87405	1.4
164.08443	2.9
165.09189	100.0
168.52092	1.6
177.09134	7.9
186.80196	1.5
191.52911	1.8
196.07408	1.8
197.11887	2.4
225.05656	2.1
241.10779	6.2
255.06622	9.0
270.08682	2.2
271.06033	1.5
271.13409	75.9
283.13412	31.0
301.14496	67.0
301.20129	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	301.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
60.45126	0.5
82.84552	0.6
165.92186	0.5
180.73895	0.6
211.07640	12.3
215.53568	0.6
227.10773	100.0
240.04311	6.1
241.04994	4.3
244.07350	1.1
268.03741	2.4
283.06052	5.1
301.07022	4.7
301.14456	3.9
301.20190	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	301.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45029	1.6
54.81589	1.8
56.58036	1.8
57.01487	2.0
57.03433	4.3
58.12852	1.7
59.01374	16.2
72.99323	2.7
73.02914	1.9
75.22984	2.1
75.62688	1.8
83.05029	2.8
85.02956	2.0
86.89458	1.8
87.36880	1.7
91.93196	2.7
97.06551	3.8
125.09688	2.9
135.11813	2.0
138.98026	2.0
144.53876	2.3
151.07657	2.5
151.11273	48.9
169.12424	2.5
179.10751	15.3
183.10512	1.9
197.11813	97.3
213.07675	9.0
213.11330	11.6
215.09175	3.6
223.09741	9.8
241.10796	100.0
259.11865	44.3
259.15488	3.5
301.12958	66.9
301.16638	2.9
301.20340	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	301.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03969	1.6
57.03474	1.7
59.01379	30.0
60.44529	1.8
61.65218	1.6
63.45092	1.7
71.01371	18.8
71.05008	9.9
72.99297	13.0
75.00858	2.2
87.00864	27.0
94.57587	1.8
97.06597	2.7
99.84015	1.9
113.68801	2.0
120.60627	2.0
123.08121	30.5
125.09720	17.8
135.11729	3.5
141.09247	4.9
151.07611	25.6
151.11243	10.8
151.88499	1.9
153.12875	4.3
167.10751	2.1
169.08690	32.8
170.11925	2.7
171.12173	11.9
177.09189	2.1
179.10770	24.0
195.06645	2.4
195.10295	12.7
197.11804	38.7
199.09732	3.7
209.11853	9.7
213.07684	100.0
218.92714	2.0
223.09756	3.6
239.09248	8.6
241.10797	87.6
259.11856	53.3
301.12891	30.9
301.16266	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	301.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03969	1.6
57.03474	1.7
59.01379	30.0
60.44529	1.8
61.65218	1.6
63.45092	1.7
71.01371	18.8
71.05008	9.9
72.99297	13.0
75.00858	2.2
87.00864	27.0
94.57587	1.8
97.06597	2.7
99.84015	1.9
113.68801	2.0
120.60627	2.0
123.08121	30.5
125.09720	17.8
135.11729	3.5
141.09247	4.9
151.07611	25.6
151.11243	10.8
151.88499	1.9
153.12875	4.3
167.10751	2.1
169.08690	32.8
170.11925	2.7
171.12173	11.9
177.09189	2.1
179.10770	24.0
195.06645	2.4
195.10295	12.7
197.11804	38.7
199.09732	3.7
209.11853	9.7
213.07684	100.0
218.92714	2.0
223.09756	3.6
239.09248	8.6
241.10797	87.6
259.11856	53.3
301.12891	30.9
301.16266	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	301.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79923	1.7
55.46624	1.8
57.03442	4.3
59.01376	24.9
60.69397	1.8
62.66135	1.7
72.99274	3.5
75.00848	2.0
83.05011	3.1
86.55141	2.0
87.00853	4.5
93.03431	3.4
95.05009	2.1
97.06561	2.9
100.66270	2.3
119.04987	12.0
123.08129	3.4
125.09686	5.3
140.03859	2.1
151.07620	3.3
151.11250	63.6
151.12428	2.9
153.09158	2.4
153.12848	2.5
163.03958	3.6
165.09158	10.4
169.08636	4.0
171.10257	3.0
179.10744	15.2
195.10269	3.0
197.11824	100.0
213.07698	16.6
213.11298	12.1
215.09285	2.6
223.09703	12.5
241.10799	95.3
242.05951	2.2
259.11844	41.9
271.13431	5.1
301.07376	2.8
301.12820	59.6
301.20160	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	301.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13971	0.9
59.01376	14.8
69.33472	1.0
71.01384	1.5
71.05012	4.2
71.62595	1.0
73.91974	1.1
80.66730	0.9
83.04977	1.4
87.00858	18.7
87.19180	1.1
89.28746	1.1
97.06577	2.7
123.08125	24.4
125.09698	18.0
128.61089	1.3
133.06508	2.1
141.09201	2.6
151.07637	27.5
151.11272	2.3
166.30925	1.1
167.07295	1.0
169.08675	16.6
179.10764	2.6
181.64326	1.0
195.06624	5.4
195.10385	2.1
197.11781	5.4
209.11823	32.8
213.07675	100.0
220.35059	1.1
223.09653	1.4
227.12895	2.0
239.09258	1.9
241.10716	7.1
259.11740	7.8
265.86374	1.2
287.70599	1.2
301.09232	8.5
301.12839	6.3
301.16376	6.5
301.19516	10.0
324.52945	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	301.0929
Annotation	Isotachioside
Peak:m/z	Relative Intensity
52.57437	0.8
58.14611	0.7
71.01377	3.8
85.02916	1.2
93.03409	1.5
101.02439	1.5
109.02946	0.8
113.02429	1.6
121.02936	1.8
123.00866	100.0
124.01667	8.1
128.39688	1.0
137.02414	3.5
138.03218	93.4
139.03993	26.6
144.75513	0.9
149.02422	1.9
151.04021	1.8
159.03038	1.2
161.04541	5.4
163.03957	1.5
166.02751	3.7
178.02657	1.4
181.05049	4.9
193.05104	1.6
301.09265	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	301.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	31.1
61.92909	5.3
74.77241	4.7
78.92613	4.8
84.86321	6.2
87.00851	12.7
97.29874	5.9
106.75663	5.8
125.09695	72.7
146.26735	6.8
153.09212	66.1
168.53201	7.1
171.10240	90.3
178.09299	6.2
197.08179	30.3
197.11737	8.9
213.07661	8.1
215.09227	100.0
241.10782	11.9
257.10291	38.7
259.11774	25.0
301.12915	37.8
301.16632	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	301.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93745	1.0
53.29560	1.1
59.01386	11.2
61.59349	1.1
83.04980	1.1
87.00859	24.8
88.04021	6.5
91.23326	1.2
97.06567	4.8
102.51027	1.2
115.00442	1.3
123.08159	22.4
125.09695	19.9
133.06549	1.2
141.09212	2.5
142.09485	1.8
151.07622	26.5
151.11273	2.0
159.02139	1.1
161.87544	1.1
167.10773	1.9
169.08705	15.8
176.00896	1.2
195.06621	5.0
195.10345	3.8
213.07678	100.0
239.09262	2.2
301.11496	2.1
301.16260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86787	0.9
50.94478	0.8
51.77536	0.9
59.01376	12.1
62.02153	1.0
71.01375	1.0
87.00865	16.5
88.04029	2.0
92.19331	1.6
97.06576	2.6
123.08141	21.4
125.09705	16.4
133.06567	4.7
141.09224	2.5
151.07616	23.5
167.10716	1.4
169.08676	17.1
184.84457	1.1
195.06583	5.0
195.10257	1.3
213.07683	100.0
239.09125	1.7
259.11966	1.1
301.09222	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	301.0715
Annotation	Aromadendrin 4'-methyl ether
Peak:m/z	Relative Intensity
59.01370	1.6
63.02392	1.7
65.00319	5.7
69.40273	0.7
83.01366	5.2
87.00860	1.3
95.38935	0.9
107.01369	20.3
108.02155	6.3
112.13963	0.7
123.04485	4.1
125.02431	0.8
134.03729	22.0
136.01663	4.9
149.06052	33.3
149.07190	1.5
151.00359	67.9
151.03923	1.7
156.22723	0.8
164.01158	19.3
165.01958	3.2
169.01375	1.4
171.10298	0.8
174.03204	1.8
175.03996	1.1
177.01880	5.9
183.13857	1.2
196.00215	1.6
201.01845	1.2
213.07687	5.1
242.05786	1.6
286.04858	8.3
301.07175	100.0
301.20331	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	301.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65846	1.3
59.01374	11.0
71.01379	1.5
73.02942	2.0
78.21438	1.3
83.45229	1.2
87.00869	17.7
92.19396	1.4
97.06552	1.6
123.08148	24.3
125.09699	21.5
141.09174	2.3
151.07632	27.3
151.11229	1.3
167.10748	1.5
169.08679	20.6
179.10748	1.7
195.06532	2.4
195.10269	2.3
197.11818	7.4
208.88223	1.5
210.88962	1.3
210.95319	1.2
213.07686	100.0
239.09305	2.9
241.10843	10.7
248.30852	1.5
259.11884	10.1
301.09711	9.2
301.12399	3.4
301.15268	4.5
313.42471	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	300.148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58217	2.3
57.11696	2.3
61.52514	2.1
63.84771	1.9
71.01402	3.0
88.04026	34.4
88.44198	2.4
97.02937	65.8
99.04517	3.8
102.98594	4.9
115.00359	11.8
120.98488	2.4
120.99596	2.9
123.08129	15.3
132.03003	14.2
136.07654	12.4
140.10786	3.2
141.09213	11.0
157.05354	4.9
158.06104	9.7
171.08089	4.2
184.09796	14.8
185.08365	3.2
186.07919	18.9
187.08661	2.9
201.10350	38.8
213.10277	2.5
241.13336	2.5
255.14944	17.1
300.10959	32.3
300.14789	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	301.0717
Annotation	Gnetifolin A
Peak:m/z	Relative Intensity
50.70524	1.9
53.38840	2.0
56.26720	1.7
59.01366	2.4
81.45274	2.1
115.55592	2.5
141.45193	2.5
149.02332	3.5
212.04810	2.8
225.18987	2.6
227.03418	2.5
239.03583	3.6
240.04221	12.7
243.03018	3.4
257.04547	12.8
268.03711	11.3
269.04562	21.7
271.02475	4.9
279.14252	2.8
285.04044	55.0
286.04846	65.7
287.42706	2.6
301.07196	100.0
301.10638	4.9
301.20059	13.2
318.92606	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	300.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.87655	0.6
59.01362	1.1
69.03441	2.9
70.02970	1.1
71.01369	27.4
71.04990	4.0
72.04534	4.9
81.07089	1.5
87.88329	0.8
88.04025	56.4
96.99303	1.6
100.07668	1.0
114.09230	21.6
115.00345	28.2
120.57706	0.7
123.08144	4.0
123.81649	0.7
124.07700	1.7
125.09669	1.2
132.02980	1.4
138.09187	1.3
141.09235	1.2
142.12332	3.8
144.44870	0.7
156.10246	7.9
166.12349	1.7
168.10239	1.2
170.06442	1.2
170.11865	10.9
177.18871	0.8
180.40540	0.7
184.09796	3.1
184.13414	50.2
185.10211	1.5
185.11807	32.3
199.95773	0.8
203.82964	0.8
210.15038	1.0
256.11865	1.5
256.15530	19.4
263.08575	0.9
282.13559	1.8
300.11151	4.5
300.14496	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	300.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71677	1.6
52.28849	1.5
54.66753	1.4
58.02961	18.1
59.01361	2.0
62.38853	1.3
70.76317	1.7
71.01367	14.1
88.04028	91.2
95.04173	1.8
102.98546	13.9
115.00351	29.2
123.08133	9.6
130.63786	1.8
132.02989	27.3
136.07661	4.2
140.10815	24.9
141.09230	34.8
144.76018	1.7
184.09744	22.9
185.08073	17.6
194.11893	2.5
212.12900	3.0
214.80539	1.7
282.09790	2.4
285.62979	1.6
300.10883	100.0
300.14340	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	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00858	1.8
55.47514	2.0
58.02977	17.5
59.01368	2.3
64.30499	1.9
71.01369	20.5
73.95453	2.2
78.95918	2.8
88.04023	100.0
92.19891	2.6
97.02930	16.5
101.19722	2.1
102.98536	3.3
110.02478	2.7
114.05592	10.1
115.00368	31.2
117.07323	3.2
123.08131	10.9
130.08708	4.9
132.03018	29.3
136.07669	4.8
140.10786	24.8
141.09198	40.9
143.11870	4.5
158.06107	2.6
167.07147	2.9
171.07813	3.9
184.09775	32.4
185.08232	19.5
186.08058	2.9
201.10326	9.0
212.12877	3.4
214.15588	17.0
220.22900	2.1
233.95493	1.9
238.99309	2.5
255.15080	2.9
282.09921	2.8
286.16525	2.5
300.10895	93.5
300.15012	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	300.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37813	1.1
56.91011	1.1
69.53282	1.3
70.57812	1.2
71.01364	25.3
72.04550	1.8
73.54051	1.4
74.38357	1.4
74.65233	1.3
88.04027	53.0
92.19383	1.5
99.00060	1.5
100.13218	1.3
102.65496	1.3
105.50410	1.4
114.09207	19.2
115.00349	30.1
123.08102	1.9
124.07645	6.0
132.44334	1.4
142.12434	2.0
156.10286	7.8
168.10257	2.2
170.06429	2.5
170.11848	6.9
184.09894	2.4
184.13406	42.5
185.11824	28.2
185.42450	1.5
210.14806	1.5
219.23076	1.4
244.50513	1.3
256.11948	1.6
256.15546	15.9
282.13223	2.6
300.11172	3.2
300.14536	100.0
300.17725	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	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20943	1.3
59.01367	2.7
60.34525	1.2
71.01373	26.4
72.97884	1.4
74.02468	3.3
74.29231	1.3
81.07086	3.6
87.00858	62.6
88.04025	77.7
92.20020	1.7
95.05006	2.0
95.13670	1.4
97.17510	1.3
102.98565	3.6
104.22733	1.3
115.00356	31.7
123.08140	84.1
130.99846	66.6
132.00603	15.2
132.03003	18.8
136.04044	6.8
141.09236	8.0
162.68695	1.4
169.39159	1.5
170.02824	1.5
184.09775	91.0
185.08157	27.7
196.13397	5.8
196.30684	1.6
199.20454	1.4
243.62413	1.5
254.04298	42.8
256.11853	7.3
258.13425	5.4
282.09872	7.2
300.03571	9.5
300.10904	100.0
300.14371	5.1
304.46503	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82906	1.5
54.51746	1.7
59.01366	2.2
64.88363	1.8
69.03441	3.3
71.01364	18.8
88.04027	100.0
97.02931	8.9
101.93847	2.0
115.00352	25.4
118.26144	2.1
120.99609	2.8
121.05590	1.7
123.08135	62.8
132.03011	22.9
137.06134	1.9
140.10820	2.7
141.09203	31.0
152.98059	1.9
167.07074	3.6
184.09778	43.7
185.08235	14.9
186.07869	2.3
201.10318	8.8
217.61176	1.7
269.49350	2.0
282.09882	4.1
300.10971	89.2
300.14758	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	299.259
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
52.70657	1.4
56.72679	1.3
57.16877	1.5
57.39148	1.7
59.01370	2.3
62.27660	1.5
62.72635	1.4
70.03934	1.6
71.04995	11.5
99.92523	2.1
111.30234	1.7
155.64389	1.8
197.64787	2.1
211.20732	13.7
225.22224	15.8
253.25336	32.6
299.20187	9.5
299.25891	100.0
312.88321	1.7
321.88971	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	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
52.06659	1.5
57.03448	8.8
59.27812	1.5
64.57512	1.6
66.92529	2.2
67.78559	1.6
68.00477	1.7
71.05020	3.4
78.64280	1.7
81.96654	1.6
83.04970	1.7
84.02133	4.2
124.50113	1.7
154.35429	2.0
225.22136	3.9
253.25383	42.1
263.23724	13.2
281.24905	14.6
297.24298	3.0
299.20386	5.8
299.25919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98060	4.2
51.05636	4.5
52.24711	4.8
56.22320	4.8
59.01371	6.8
62.15348	5.3
81.19604	4.5
85.06588	6.7
85.47844	5.8
95.40900	5.1
116.92792	7.2
135.91354	6.4
175.30678	4.8
197.19081	7.5
208.86543	5.4
253.25377	10.4
299.25970	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	300.0877
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
53.18563	0.7
60.24551	0.7
61.16174	0.7
64.84467	0.7
68.01379	0.8
68.34550	0.8
88.28750	0.9
89.84573	1.0
91.05527	6.0
91.64458	0.7
92.46661	0.8
102.35208	0.8
107.03747	2.0
108.04547	100.0
120.04560	9.5
134.94708	0.8
147.04579	1.0
151.02718	6.0
152.02397	1.6
152.03531	37.4
162.02020	0.8
164.03522	6.9
191.02280	1.5
207.39087	1.0
212.10600	0.9
212.44940	0.8
256.09802	32.7
264.26279	0.8
300.08795	39.2
306.56171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2227
Annotation	ROCCELLIC ACID
Peak:m/z	Relative Intensity
50.47383	0.6
59.01374	4.6
71.04989	0.9
77.49050	0.6
78.43303	0.8
93.28687	0.8
93.29350	0.8
103.44845	0.6
105.21985	0.6
111.08131	4.3
111.15958	0.7
113.09716	6.6
115.20177	0.8
141.12827	5.4
155.10782	4.6
157.08655	4.9
169.12306	1.2
174.99271	3.2
217.00262	4.6
237.22110	1.6
273.68152	0.8
279.19568	1.8
281.21262	3.9
299.22305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36441	2.4
59.01375	28.2
62.45885	2.3
68.95858	2.2
75.63830	2.3
99.08144	21.2
104.05643	2.8
127.07613	4.7
129.09200	45.4
139.11276	15.7
169.12337	60.2
174.99176	6.1
181.12337	5.7
217.00304	34.7
263.20154	5.8
281.21350	25.3
299.22412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01376	1.8
68.43484	0.7
77.50719	0.8
116.92819	1.4
217.00290	3.1
225.43732	0.8
253.25389	3.8
281.24869	1.2
297.24384	1.7
299.20261	3.1
299.25916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2592
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01366	4.3
75.39315	0.8
101.49885	0.8
135.38457	0.9
141.12863	3.9
157.12366	3.7
174.99193	1.7
177.31345	1.0
217.00287	4.2
217.84439	0.9
253.25311	1.0
271.22736	1.5
297.24268	1.1
299.20465	17.9
299.25888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	7.2
59.01371	65.9
63.57053	8.7
129.09207	100.0
141.09198	49.3
157.12308	43.2
174.99223	39.8
217.00294	79.1
222.81512	8.2
225.47119	8.3
281.21213	36.2
299.16537	37.1
299.20157	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	299.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77365	0.7
58.00598	1.9
59.01377	9.3
61.78915	0.7
66.43119	0.8
67.39481	0.8
83.05006	1.0
97.06570	1.1
99.08143	17.9
110.97737	0.9
111.08113	1.4
127.07626	1.9
129.08220	1.0
129.09206	35.1
169.12320	68.3
174.99225	3.8
181.12361	6.5
181.14990	0.8
185.11783	0.9
196.43504	0.9
217.00272	12.2
263.20065	5.8
273.39801	0.8
281.21198	7.5
297.20770	1.0
299.22281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49371	0.5
51.12626	0.4
51.80536	0.4
55.16074	0.4
189.17555	0.5
222.55855	0.5
227.10690	1.2
239.08055	0.6
299.20160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66168	0.3
51.96105	0.3
56.88544	0.3
59.01380	0.7
59.69978	0.4
67.99826	0.3
71.63939	0.4
83.54284	0.3
91.51199	0.4
116.00011	0.4
140.34476	0.4
174.99194	0.6
178.59933	0.3
217.00366	0.7
299.20142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61460	0.4
54.58168	0.5
59.01381	4.5
88.03935	0.5
115.71716	0.5
122.74660	0.6
123.35670	0.6
127.11330	0.6
150.98817	1.3
153.00041	0.6
155.10768	6.1
171.10236	0.9
174.99207	1.4
190.92337	0.5
217.00284	5.9
220.21680	0.6
266.96545	1.0
282.99524	5.1
299.02762	5.0
299.20105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30702	0.3
50.82807	0.3
52.48502	0.4
54.65984	0.4
67.92718	0.4
69.52740	0.4
75.32854	0.4
97.80293	0.4
107.98170	0.5
159.73117	0.4
169.63138	0.4
283.17032	0.7
299.20157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02648	0.5
53.55372	0.5
58.90795	0.5
59.01367	2.6
59.18747	0.5
60.48282	0.5
66.86128	0.5
73.53531	0.5
76.46347	0.6
112.05331	0.7
161.79559	0.6
174.99159	2.4
217.00269	3.7
249.58705	0.6
298.96024	0.8
299.20154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55602	1.8
52.84763	1.6
59.01377	3.8
66.95636	1.7
125.09682	3.0
127.11292	9.2
143.10759	2.0
155.10822	11.0
171.10245	41.8
185.11882	13.6
185.69046	1.8
201.11368	2.3
217.00328	3.1
263.20215	7.3
281.21329	4.4
297.66916	1.8
299.02817	1.9
299.17264	25.5
299.22427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42188	1.6
50.68602	1.9
54.46721	2.1
63.20628	2.1
66.96758	1.9
69.03434	9.1
84.02154	2.6
96.10673	2.3
97.02938	40.4
118.92093	2.0
128.87898	2.2
156.08238	2.7
158.09715	3.0
167.08603	3.3
185.09673	3.6
187.12408	2.9
195.10434	3.3
212.14439	9.3
299.14359	4.4
299.17648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1764
Annotation	Trichostatin RK
Peak:m/z	Relative Intensity
55.24560	1.6
59.01369	2.6
67.53938	1.9
69.03438	8.0
72.51121	1.8
84.02145	4.2
84.05039	1.8
85.70632	1.6
95.34574	2.1
97.02936	33.3
98.03699	3.3
103.62417	2.0
156.08173	2.7
167.08611	7.6
177.02039	2.4
187.12469	2.4
212.14429	12.1
292.46002	1.9
292.49445	2.1
299.17651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1864
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03451	2.1
59.01379	7.8
76.10709	1.6
83.05009	1.9
97.06585	15.6
103.92004	1.6
113.09684	7.2
121.34456	1.6
129.09209	43.2
131.29323	1.8
131.47194	1.8
139.07648	9.5
141.09193	11.7
151.07562	2.0
157.08673	55.3
169.08684	40.9
181.08710	10.2
183.07489	2.0
207.61819	2.1
210.08882	2.5
219.17485	15.7
263.16602	4.1
281.17587	25.4
299.18661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1289
Annotation	Galanganol B
Peak:m/z	Relative Intensity
50.12135	0.6
51.42539	0.7
51.82614	0.8
59.01382	1.1
65.59071	0.7
71.01331	0.9
79.77296	0.9
91.42648	0.7
95.92100	0.8
106.04204	1.2
107.05029	3.7
111.39359	0.8
121.03002	1.0
123.04518	0.8
134.03737	5.9
143.04980	5.1
144.05771	4.7
145.06575	100.0
147.04485	8.8
152.54880	0.8
162.06837	17.5
163.07616	12.8
183.69531	0.9
269.11829	84.0
284.03229	7.3
299.05490	3.1
299.12830	9.6
302.11377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1652
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
56.31324	0.2
58.82382	0.2
59.01366	0.4
90.59064	0.2
121.26334	0.2
158.93973	0.2
171.55405	0.3
180.48802	0.2
198.06857	0.3
199.07661	0.3
211.07547	0.7
222.86710	0.2
257.13965	1.1
267.13907	0.9
299.16525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	25.5
59.01376	63.4
59.82468	3.7
70.15228	3.5
71.01371	3.5
72.99294	41.7
73.02929	30.8
75.00865	97.7
81.07078	25.4
81.64550	4.0
83.05038	4.4
97.02916	4.4
117.47501	3.9
117.71275	4.7
125.06071	52.1
133.10222	16.0
137.06042	8.8
137.09695	15.3
151.11247	7.8
166.86966	4.3
181.08716	9.0
195.10266	98.2
213.11325	81.3
239.09241	46.7
255.12263	4.8
257.10291	100.0
299.11282	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10699	0.6
58.02968	0.9
58.56796	0.6
59.01375	1.0
60.36713	0.6
64.95280	0.5
93.03427	3.8
109.06591	1.4
120.05799	6.4
122.48927	0.7
134.03711	1.2
135.04494	6.0
135.08171	0.7
148.66183	0.7
151.07613	1.3
158.48445	0.6
164.08411	4.6
165.09183	100.0
177.09158	0.9
184.11340	0.9
193.08687	62.1
196.07367	2.8
201.10358	1.2
202.60098	0.6
205.08618	0.8
209.06110	0.7
251.10684	0.8
252.92964	0.6
269.11722	4.8
271.13483	3.0
281.11942	1.4
284.10620	0.9
299.12735	4.5
299.18558	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	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
58.42887	0.4
85.02907	0.6
93.03439	76.3
108.04055	0.4
109.56483	0.4
127.48870	0.4
137.02432	100.0
144.60004	0.4
175.69919	0.4
215.68304	0.4
241.45758	0.4
299.07721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.077
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
54.10689	0.4
55.78603	0.4
57.32406	0.3
71.01370	1.9
73.02955	0.5
85.02941	0.7
93.03439	43.5
101.02415	0.9
114.19314	0.4
137.02429	100.0
139.03786	0.4
299.07687	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	299.0925
Annotation	(-)-Farrerol
Peak:m/z	Relative Intensity
51.13809	0.8
57.89924	0.8
66.54915	0.8
73.81044	0.9
86.34259	0.9
93.03433	13.0
107.05022	29.1
109.02951	1.1
113.59820	0.9
119.04994	5.0
121.02905	4.0
131.05032	2.0
134.09862	1.0
135.04520	4.0
143.04997	2.3
147.04512	100.0
148.18390	0.8
151.03987	5.2
171.26871	0.9
174.36168	0.8
179.03494	13.2
213.37442	1.0
229.92171	1.0
237.09204	18.3
281.05356	1.6
281.08228	34.6
299.09241	33.0
316.38586	1.0
323.46033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02319	0.8
52.41178	0.7
59.01378	100.0
60.43388	0.8
82.59450	0.8
88.04027	12.7
96.95997	7.9
146.08229	5.7
168.50676	0.9
218.10321	6.9
295.57208	0.9
298.06076	14.1
298.09384	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	299.0561
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.18201	0.3
67.04469	0.3
73.12022	0.3
73.49221	0.3
77.15906	0.3
77.16388	0.3
90.88261	0.3
92.19400	0.3
107.69956	0.3
135.00905	0.4
145.06586	1.3
148.01630	0.6
151.00461	0.3
200.04688	0.3
211.03903	0.4
212.04814	0.5
227.03493	2.2
228.04198	0.4
239.03561	0.3
240.04254	0.4
255.02974	1.8
256.03745	3.2
269.11853	0.5
283.02524	2.0
284.03268	100.0
299.05615	45.4
299.12808	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	299.0772
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
52.36284	0.6
55.96298	0.7
56.09502	0.5
59.01359	1.0
63.27975	0.6
69.25710	0.7
71.01365	0.7
83.00622	0.7
85.02921	0.7
88.04038	1.3
89.04377	1.4
93.03442	83.0
96.95976	1.3
97.02818	0.8
137.02429	100.0
193.05023	1.1
211.06174	4.0
212.15858	0.7
231.73317	0.8
257.11362	1.5
299.06598	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	298.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33302	0.5
55.22554	0.5
59.01381	100.0
59.61146	0.5
60.04764	0.5
82.04114	0.8
87.20563	0.5
94.42507	0.7
113.54469	0.5
114.39971	0.6
146.50505	0.5
181.18510	0.6
257.52390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67983	1.0
56.62391	1.0
59.01367	1.6
62.86367	1.0
62.98528	1.3
66.01338	1.1
66.23807	1.3
69.61720	1.2
71.01374	12.0
88.04030	100.0
96.04519	1.4
102.05570	1.3
112.18478	1.1
114.01958	1.8
115.00350	25.9
121.06513	1.7
132.03011	49.2
138.09244	17.9
139.07628	15.2
182.08253	12.2
183.06648	7.7
192.10258	1.4
210.11407	2.7
224.17102	1.4
231.42090	1.4
236.09326	2.2
254.10294	3.0
280.08258	6.6
298.06097	2.4
298.09338	60.4
298.12650	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	298.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19647	0.7
54.98928	0.7
55.79450	0.8
56.91061	0.8
58.02972	0.9
59.01366	1.9
66.45606	0.7
71.01378	8.5
73.28268	0.8
82.03024	0.9
88.04027	93.1
90.98463	1.0
114.01939	4.7
114.16711	1.0
115.00346	20.3
123.08130	1.1
132.03012	100.0
138.09222	9.4
139.07651	8.8
173.11925	1.0
181.52872	1.0
182.08215	5.4
183.06598	2.2
192.10294	3.7
193.05806	0.8
199.66890	0.8
200.95950	0.9
210.11342	4.4
236.09276	1.8
254.10345	2.1
280.08237	2.1
298.06137	1.9
298.09341	40.2
298.12732	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	298.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11126	0.9
59.01372	4.9
63.70412	1.1
71.01382	7.4
71.05007	1.3
72.30722	1.2
88.04031	75.9
96.95995	46.3
101.32906	1.3
104.38758	1.1
113.05072	1.4
129.60027	1.3
139.05202	1.5
145.83846	1.3
146.08226	28.7
182.05632	1.8
202.06915	1.7
218.10341	39.2
298.06039	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	298.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	4.9
67.04398	0.9
71.01367	7.8
88.04031	76.8
96.95996	43.2
96.96611	1.6
115.11035	1.1
146.08223	31.9
154.82146	1.0
168.06416	1.0
181.01765	1.4
218.10344	38.3
239.37189	1.1
298.06021	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	298.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	5.8
71.05008	2.1
84.51136	0.5
86.24430	0.5
88.04028	73.9
96.95991	45.4
133.64297	0.7
146.08229	28.5
150.19322	0.5
163.72583	0.6
171.41269	0.6
181.01732	2.0
218.10321	39.5
226.03772	0.7
298.06021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73023	1.8
50.78542	2.1
59.56062	2.3
61.93209	2.3
84.13478	3.0
111.75661	2.3
171.10228	4.4
237.70227	2.7
279.23248	11.0
297.15305	4.1
297.24310	100.0
297.27420	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	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01858	1.8
69.79597	2.0
71.63578	1.9
84.85575	1.8
129.67047	2.2
129.94879	2.6
155.10786	2.7
171.10239	4.3
172.88646	2.4
214.89603	3.4
237.60345	2.3
263.84711	2.3
279.23355	19.9
297.21002	5.9
297.24313	100.0
310.09021	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	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.46994	0.7
59.01376	5.3
59.06460	0.8
59.84833	0.7
76.68687	0.9
81.74666	0.9
97.35887	0.9
121.64641	1.0
128.61867	0.8
133.45793	0.9
151.73384	0.8
183.73878	0.9
199.88519	0.9
225.22124	1.1
229.07767	0.9
251.23819	44.9
284.17471	0.9
297.24359	100.0
304.33890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
53.65569	0.8
59.86890	1.0
65.40528	0.8
70.98224	1.1
92.19815	1.2
95.54855	0.9
104.46632	1.1
113.09706	2.0
157.08710	15.8
251.23758	1.4
279.23306	21.2
295.22940	1.6
297.24365	100.0
305.62759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
57.06774	0.5
57.18307	0.5
59.87434	0.6
65.04939	0.7
79.35474	0.7
169.12294	4.8
183.13927	5.0
197.15446	3.1
204.58202	0.6
211.16971	0.8
223.66347	0.6
270.25055	0.8
279.23294	13.4
295.22711	0.9
297.24341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81763	1.3
71.03276	1.6
72.55345	1.4
97.18755	1.5
108.72264	1.3
116.69980	1.7
148.56487	1.2
155.14351	1.6
199.13429	2.2
216.67438	1.3
220.04025	1.2
246.88712	1.3
253.25471	1.9
279.23340	2.3
297.18652	6.1
297.24326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90651	1.0
71.20994	1.0
75.22535	1.3
78.10022	0.9
82.65638	1.0
98.49739	1.1
111.57992	1.1
116.92819	1.1
155.10722	2.2
171.10240	2.4
182.46988	1.0
188.12856	1.0
196.77371	1.1
279.23288	12.5
297.24350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
56.46550	0.7
65.44614	0.9
66.38647	1.0
79.35033	1.0
102.07347	0.9
127.11256	1.0
154.86084	1.0
157.08669	10.9
169.12325	4.4
279.23276	24.6
295.22598	1.0
297.24332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27257	0.6
52.14391	0.6
57.51005	0.6
59.01387	0.8
61.01634	0.7
78.29629	0.6
82.19382	0.7
93.69079	0.7
109.47653	0.7
120.94356	0.7
121.15306	0.9
139.66338	0.7
141.12888	0.8
155.10762	19.6
279.23294	17.7
297.24344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
56.75434	0.6
58.22302	0.7
59.10282	0.6
59.49850	0.6
63.54107	0.6
65.01306	0.7
67.08170	0.6
80.96568	0.7
90.68489	0.7
104.13707	0.8
130.59366	0.8
132.51143	0.8
156.69055	0.8
197.15469	1.4
222.67519	0.7
279.23285	4.7
295.22867	1.3
297.24347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
85.41793	2.9
87.57834	2.6
90.23693	2.9
92.54921	2.7
106.24065	2.9
109.40562	3.3
118.29022	3.1
131.08939	3.8
133.28670	3.1
136.59944	3.2
199.50954	3.2
201.12935	3.0
279.23291	4.6
290.86963	3.8
297.15454	4.5
297.18658	17.9
297.24326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46517	0.7
89.64086	0.8
95.99950	0.8
97.88370	0.8
99.39134	0.8
155.10748	11.5
171.10289	0.9
185.11809	1.0
217.62776	0.9
254.13869	0.9
261.22299	0.9
269.18985	1.1
279.23294	19.7
295.22891	1.2
297.18869	2.8
297.24344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
59.01375	3.0
59.26657	1.8
60.86830	1.7
92.71049	1.7
95.07053	1.9
99.08134	2.8
99.35200	1.7
110.05054	2.4
113.09687	3.5
126.70081	2.0
129.09206	7.4
155.10783	2.9
167.10777	3.1
181.71260	2.0
183.10315	16.1
185.11867	8.9
195.13896	4.6
197.11812	27.1
279.19650	13.4
297.20743	100.0
297.24109	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	297.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15223	3.1
50.27144	2.6
52.41082	3.1
109.06081	3.0
111.08101	4.6
111.79248	3.2
114.41129	3.2
122.55411	3.6
137.09659	3.2
139.11305	6.6
149.09700	15.6
183.01259	19.9
214.89751	4.8
235.20624	7.7
279.19693	96.5
297.15378	100.0
297.20712	93.6
297.24286	15.5
308.15546	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32786	1.9
53.65891	2.1
57.03429	2.2
59.01362	2.7
75.30745	2.4
77.51893	2.5
87.43835	2.5
99.08130	5.2
112.57339	2.4
113.09705	4.8
129.09212	15.2
155.10754	4.6
167.10770	9.0
183.10196	16.5
184.56168	2.5
185.11786	5.7
196.42825	2.4
197.11809	25.5
206.98860	2.4
245.49432	2.3
279.19669	11.1
297.20694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95086	0.7
57.00568	0.7
57.79412	0.7
61.85004	0.8
71.05015	3.4
72.79679	0.8
83.05024	1.5
109.09907	0.9
111.08141	6.4
113.09693	1.8
139.11267	0.9
157.08702	5.6
169.12366	1.4
195.10216	4.1
213.11243	1.2
229.14359	1.3
235.20731	1.6
236.42722	0.8
265.37814	0.8
277.18158	2.0
279.19553	5.7
297.20706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90765	0.8
67.07265	0.7
80.20876	0.6
82.13009	0.8
172.88573	0.9
180.66309	0.7
191.24347	0.8
199.11261	18.6
201.12868	4.2
202.31227	0.8
214.89601	1.3
295.73578	0.7
297.18613	100.0
297.23984	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2071
Annotation	[1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol 1-acetate
Peak:m/z	Relative Intensity
53.39374	20.4
68.48258	19.6
75.66190	20.1
92.19848	23.0
127.07595	38.9
135.04521	24.2
139.07603	23.0
149.00966	100.0
157.12332	28.4
181.61548	20.3
196.90379	22.8
209.44733	24.7
210.12674	27.9
224.24106	20.9
233.21262	21.2
264.98462	28.9
282.83536	20.3
297.04758	47.6
297.20856	73.2
297.24237	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57309	0.3
59.27000	0.4
84.42592	0.4
123.26719	0.4
213.68684	0.4
254.82251	0.5
262.38312	0.4
279.17270	0.4
297.18591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63273	1.4
103.26366	2.1
138.68404	1.5
142.36224	1.8
161.46593	1.7
183.01166	24.2
199.11221	2.5
214.89586	2.8
253.46439	1.8
267.80600	1.5
282.16263	3.9
297.15265	100.0
297.18591	50.8
297.24258	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	297.186
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
50.19690	0.9
55.48748	0.9
58.04617	0.9
59.08171	0.8
68.75388	1.0
127.11311	1.1
129.09125	1.2
139.11218	1.4
151.31145	1.1
155.10818	1.2
157.08646	4.5
182.45378	1.1
214.89699	1.4
215.16505	1.4
220.50130	1.2
227.14247	1.7
263.14188	2.2
264.15048	2.5
270.28909	1.3
279.19833	10.5
281.15359	1.8
282.12524	2.6
297.15530	4.3
297.18448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1131
Annotation	CHEMBL2147415
Peak:m/z	Relative Intensity
59.66858	1.0
63.51902	1.0
95.89895	1.0
108.47137	0.9
123.33668	1.0
130.16490	1.0
222.06816	7.7
234.06897	5.7
236.08388	1.7
248.08368	8.6
249.09256	4.5
249.79765	1.0
267.10260	100.0
279.10309	24.6
297.11356	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	297.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66337	2.9
59.01377	34.0
60.59710	2.8
62.36343	3.1
65.67098	2.5
67.86575	3.1
72.01550	2.5
75.37604	2.9
83.05009	5.9
90.31226	3.1
91.04010	13.1
92.19303	6.3
96.95997	7.1
106.04268	6.2
135.11780	15.4
138.67960	3.0
159.08133	5.8
159.58952	3.0
161.09720	45.5
179.10748	100.0
205.08698	4.7
243.22025	2.8
297.13489	31.6
297.16675	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	297.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17248	11.7
51.35960	11.7
59.01375	29.7
60.74113	13.5
60.86010	13.2
69.07285	13.6
83.05039	18.7
91.91927	13.7
122.97797	13.3
127.07597	22.9
139.99237	13.8
157.08699	22.1
169.08708	22.8
181.08710	71.9
198.60803	14.8
210.09055	16.5
259.45276	14.8
260.17227	14.7
279.16077	91.3
282.59235	13.6
297.18457	100.0
297.24258	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	297.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92374	1.5
56.24474	1.5
56.45148	1.5
61.56047	1.6
87.86352	2.0
94.87438	2.3
103.27418	1.8
121.64796	1.9
155.10782	2.9
183.01183	18.7
199.11267	10.4
202.56201	2.0
258.38229	1.9
282.12924	1.8
282.16318	16.4
297.15253	74.9
297.18576	100.0
297.24164	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	297.0978
Annotation	Sarkomycin Z
Peak:m/z	Relative Intensity
59.01373	6.1
71.22865	3.3
80.58347	3.7
81.75316	4.5
83.64069	3.6
84.57773	3.7
86.82763	3.7
93.03445	36.6
97.06546	5.0
109.10189	4.2
147.11780	4.9
149.86060	3.9
152.25127	3.6
163.11296	26.3
165.12834	51.0
181.12317	61.6
191.10713	15.2
209.11824	9.4
253.10803	100.0
297.09824	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06059	1.0
71.35651	1.0
89.00500	1.2
91.68790	1.0
93.03438	32.3
93.03976	2.1
119.04997	1.2
130.04219	31.5
131.05008	2.2
133.06578	12.8
135.04555	8.1
143.05013	1.7
144.05801	6.9
145.06584	100.0
157.06566	1.3
161.06064	13.9
162.06842	16.4
163.07634	5.6
173.06068	45.6
173.07558	1.5
191.05499	2.0
191.07147	37.0
194.05812	6.4
201.66505	1.4
220.16391	1.1
239.10716	1.6
249.09103	2.3
251.10802	9.7
261.09189	1.5
267.10226	2.1
279.10281	23.4
297.11313	6.1
297.24091	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	297.0769
Annotation	R1128A
Peak:m/z	Relative Intensity
52.04164	1.0
55.42933	1.2
62.74477	1.1
74.37792	1.2
79.95196	1.3
87.15479	1.3
93.03443	23.8
107.05017	5.0
119.04990	8.7
133.02887	1.6
135.04514	1.9
145.02950	6.2
147.04541	1.8
149.06093	3.0
151.03978	7.8
159.04510	6.3
159.76730	1.2
177.05540	5.7
183.08142	15.8
185.02477	5.4
203.03539	2.2
209.06081	5.1
210.06808	1.6
211.07669	8.2
225.09230	8.6
227.07132	27.0
235.07658	23.5
253.08681	14.0
255.06851	1.6
261.05457	1.6
261.17111	1.8
269.08185	1.9
279.06696	31.8
297.07681	100.0
313.87592	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	297.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15984	1.7
53.29565	2.4
59.01364	13.7
72.99289	2.7
75.00861	18.7
90.32895	2.2
91.65045	2.5
93.03438	100.0
108.51502	2.3
109.75199	2.6
123.37247	2.7
163.11267	15.7
165.12834	29.1
181.12335	20.6
191.10757	14.2
208.05267	3.1
209.06049	4.4
209.11806	14.8
225.05576	4.2
253.04968	3.7
253.10809	50.5
297.03955	12.5
297.09763	36.6
297.13403	23.4
303.46042	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	297.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15544	2.7
59.01391	3.0
59.20895	2.5
64.33859	3.0
70.48946	2.6
86.03197	2.9
97.06554	3.4
117.09391	2.6
122.92474	3.1
138.91362	2.8
147.11754	4.1
163.11293	29.3
165.12819	49.9
168.91243	3.3
176.22583	2.8
181.12357	50.8
188.82173	2.9
191.10809	19.4
195.09607	2.6
209.11810	16.9
225.11234	3.3
250.65643	3.0
253.10806	100.0
270.87500	3.0
297.09808	41.4
297.13046	4.7
303.53900	3.4
311.35190	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	296.0822
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
58.48108	0.3
59.58974	0.2
92.02545	0.5
92.21671	0.3
94.24112	0.3
107.03625	3.0
118.05064	0.4
119.13555	0.3
134.04713	100.0
179.05873	0.6
186.05576	0.3
187.06360	2.8
189.07951	2.6
194.08269	1.0
199.21790	0.3
202.08737	2.8
204.10304	1.1
219.03334	0.3
227.94853	0.3
228.31775	0.3
234.05867	0.4
296.08301	6.0
296.11447	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	296.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	0.8
71.51974	0.9
82.02972	55.2
85.02923	10.8
98.02462	2.2
100.04033	61.9
101.02422	2.3
122.03727	15.4
123.04478	6.0
128.03510	24.9
129.01933	7.7
134.03714	21.3
135.04514	6.5
141.09183	5.9
142.09506	4.2
146.04568	6.3
149.06058	20.8
152.07129	1.2
153.23619	1.0
169.26073	1.0
218.08261	1.4
235.08444	7.3
236.09280	12.4
250.10841	35.9
264.08752	13.5
278.10349	10.3
286.68140	1.2
296.11386	100.0
296.21704	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00592	0.4
61.84444	0.5
64.23990	0.5
67.42628	0.5
81.42143	0.5
95.63662	0.6
107.58849	0.5
113.09729	3.8
179.14372	2.0
181.12297	0.8
295.22775	100.0
308.45972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39215	0.9
55.60587	0.8
59.01400	1.1
69.73030	1.2
71.71315	1.2
71.76340	1.1
84.04540	1.0
95.05033	1.1
102.05589	51.4
102.06258	2.1
105.37888	1.2
121.02912	1.1
122.06101	2.6
123.04497	100.0
123.51888	1.0
138.05617	1.4
138.34706	1.4
140.03323	1.1
148.04082	2.5
149.02426	7.9
166.05104	2.1
234.07637	2.3
252.08757	36.2
254.07826	1.1
296.07703	5.2
296.10764	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54187	1.4
66.04808	1.4
67.89973	1.4
86.17685	1.5
92.51028	1.6
102.05476	1.5
105.60299	1.6
113.07929	1.4
145.34177	1.5
155.14444	3.4
164.04939	1.7
167.68039	1.8
171.10246	23.1
183.10172	1.9
198.94514	1.7
277.21707	25.2
295.22775	100.0
296.21457	1.9
304.38892	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01534	0.7
83.77740	0.9
95.73878	0.8
100.86402	0.9
107.49548	0.8
125.09690	4.5
151.11278	2.0
251.23705	1.7
277.21719	1.1
295.22784	100.0
298.19553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.54741	0.7
52.28005	0.9
59.01382	1.4
65.37026	0.8
70.19241	0.9
71.48008	0.9
79.43853	1.0
113.09694	4.2
134.79031	1.0
195.13895	24.3
214.93134	0.9
277.18387	1.4
277.21704	20.8
295.22769	100.0
297.94720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
58.98970	1.0
59.01387	1.3
66.05629	1.1
67.32445	1.1
98.19853	1.2
99.08141	2.9
113.09673	2.4
114.10033	1.6
139.75385	1.4
158.39563	1.2
166.96002	1.4
171.10272	46.9
227.68434	1.3
277.21722	60.9
291.66022	1.4
295.22754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82365	2.4
64.05632	2.2
69.32509	2.3
71.25494	2.2
116.93594	2.4
131.12614	2.2
273.52228	2.3
280.54788	2.6
282.46918	2.7
295.22760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04097	2.9
51.59582	3.1
51.71924	2.8
53.86283	2.8
53.96759	2.8
59.01381	6.1
61.29201	3.2
74.83174	3.4
81.42331	3.1
91.24513	3.1
113.77224	3.5
130.36504	3.3
181.77519	3.4
209.15527	34.3
223.16995	20.0
226.06079	3.8
265.21567	4.5
277.21698	58.5
295.22803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36632	1.1
51.50877	1.4
59.01370	6.6
113.09717	1.4
157.08682	67.6
205.19899	1.6
207.72491	1.5
277.21710	66.0
295.22781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68752	1.1
59.01370	1.4
80.50243	1.3
92.19410	1.6
113.09718	2.4
116.82537	1.3
120.37813	1.2
147.10367	1.3
159.69632	1.3
177.12910	1.7
177.98871	1.5
181.12381	1.3
183.10336	1.6
195.13908	28.3
195.43729	1.4
251.64751	1.5
277.21747	30.8
295.22781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.6
67.05554	1.5
71.04145	1.3
73.00851	1.3
89.95055	1.4
111.08152	6.8
127.08601	1.6
133.58084	1.5
168.91129	1.8
198.12947	2.1
220.02330	1.8
251.23746	1.8
295.19354	3.2
295.22791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62467	0.7
54.48942	0.6
56.41742	0.8
60.74151	0.7
63.92070	0.8
105.79922	0.8
109.38671	0.8
127.11303	1.7
141.12817	11.3
155.14381	5.0
155.35709	0.8
163.72470	0.8
228.00909	0.8
231.33656	0.7
249.22244	14.2
277.21768	1.1
295.22772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16852	0.9
50.72798	0.9
54.77822	0.9
59.01373	1.2
66.37460	0.9
72.74558	0.9
73.19340	0.8
77.97809	1.0
80.45412	0.9
86.03349	1.0
99.56294	1.0
105.63064	1.0
113.09698	1.6
118.98698	1.1
120.37810	0.9
166.61586	1.1
183.13947	1.2
186.34821	1.1
195.13908	12.4
277.21732	12.9
295.22791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
53.65510	0.8
56.00318	0.9
63.78393	0.7
70.11924	0.7
94.05562	0.8
107.31739	0.9
141.12816	1.5
169.12360	2.1
197.11662	1.1
277.21765	12.7
295.17313	3.6
295.22784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.88345	0.7
56.51265	0.8
66.93149	0.8
95.65150	0.9
95.85746	1.0
113.55495	0.8
143.54227	0.9
187.98080	0.9
265.21686	3.6
277.21616	4.8
295.22775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89440	1.1
70.68946	1.3
73.49009	1.1
74.64103	1.2
85.89857	1.2
171.10260	31.3
183.10197	1.5
204.33989	1.3
277.21725	49.5
295.22787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52650	1.0
82.42259	1.1
86.94993	1.3
111.08127	4.8
113.87331	1.2
121.49747	1.5
127.11223	2.1
134.34677	1.1
139.31483	1.1
140.94388	1.3
165.12746	1.5
251.23792	2.7
284.89362	1.2
295.22778	100.0
301.97424	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	295.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72710	0.8
51.27449	0.7
54.88438	0.8
61.20154	0.7
75.29696	0.9
81.84569	0.8
85.07705	1.3
92.87492	0.8
105.52551	0.9
112.08791	1.6
129.11438	2.1
147.63306	0.9
224.55457	1.1
233.08243	1.3
235.18353	1.1
253.19220	100.0
295.08261	1.9
295.11755	1.3
295.21390	26.2
301.70810	1.0
317.33118	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	295.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84784	1.4
64.71813	1.3
67.32236	1.6
69.94549	1.4
71.01369	19.2
82.04073	1.6
123.08177	3.2
129.97659	1.7
141.09207	100.0
141.10303	3.5
153.11459	7.1
159.02826	1.5
189.28400	1.6
295.21365	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2027
Annotation	CHEBI:44612
Peak:m/z	Relative Intensity
55.87547	1.1
58.02975	29.1
88.03246	1.3
90.36968	1.2
91.53439	1.3
112.07684	6.8
125.07153	1.6
129.10345	28.8
141.10352	11.8
149.99695	1.5
151.00104	1.3
152.35637	1.2
154.76512	1.5
164.10780	2.9
167.24969	1.5
216.85255	1.4
222.70366	1.2
251.21263	10.1
264.61478	1.4
277.19223	7.6
295.20279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1916
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
59.01381	5.0
76.50468	3.6
81.00082	2.9
92.19448	4.7
97.06587	3.1
113.09682	6.0
153.12788	4.0
165.12900	3.5
233.19080	6.9
277.18121	48.0
295.19165	100.0
295.22415	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	295.1913
Annotation	10-Deoxymethynolide
Peak:m/z	Relative Intensity
53.25224	0.7
56.45046	0.8
62.99567	0.8
63.87774	0.8
75.92921	0.9
85.27272	0.9
95.43560	0.9
99.08144	5.7
111.08061	1.1
129.14970	0.9
137.34731	1.2
149.09729	1.6
151.11276	4.2
155.10802	1.4
167.10707	1.4
177.09302	1.1
179.10666	1.3
195.10268	38.8
217.14348	1.1
233.19075	1.6
251.20270	1.1
277.18073	6.0
293.17560	1.4
295.19141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
69.34106	8.4
94.86089	7.9
111.08121	43.7
115.98675	7.5
123.96038	7.0
125.80349	7.8
161.24055	7.4
183.10245	95.6
195.13820	9.3
197.11815	11.2
221.65161	7.7
237.14900	12.8
277.17914	15.3
295.19220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1914
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
50.70517	1.4
52.07119	1.5
59.01375	8.1
60.49905	1.5
83.05020	2.8
103.82869	1.7
107.52251	1.9
113.09744	2.5
137.09723	2.2
139.11200	2.4
141.09238	3.4
149.09702	7.4
151.11275	3.0
157.08655	1.9
160.64198	1.8
165.12878	13.9
167.10768	15.4
179.14450	4.1
195.10516	2.0
205.15935	2.4
233.19102	22.7
259.16910	8.2
277.15009	2.5
277.18066	78.3
295.19162	100.0
309.60938	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	295.1702
Annotation	17alpha-Ethinyl estradiol
Peak:m/z	Relative Intensity
59.85570	2.7
76.90391	2.8
92.09478	3.0
109.75823	2.9
147.22195	3.3
251.14282	5.5
265.12286	5.5
277.17990	5.5
279.13751	4.1
280.14691	3.3
295.16898	100.0
295.22028	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	295.1912
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
55.11225	11.1
59.01379	23.4
62.41563	10.0
65.78781	11.9
67.49090	11.7
69.42256	9.7
71.83331	11.8
92.54137	11.5
111.08097	23.9
118.49926	12.7
157.13113	12.4
183.10274	100.0
203.53755	13.1
221.51991	12.8
231.37091	12.6
277.18225	15.4
295.19119	50.6
301.09259	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	295.155
Annotation	TALAPEROXIDE A
Peak:m/z	Relative Intensity
52.01245	0.7
53.23191	0.6
55.79976	0.7
57.03451	0.9
59.01377	20.3
59.18006	0.7
85.02930	15.1
97.02908	1.3
109.06589	1.1
121.33572	0.7
124.32462	0.9
134.68958	0.8
136.05287	0.9
139.07689	1.7
149.09737	1.5
151.07584	0.8
151.11264	4.8
177.12852	1.2
189.12866	3.4
191.14381	6.7
194.03569	0.8
204.74055	0.9
207.13899	15.7
235.13303	9.4
249.74768	0.9
253.14447	100.0
295.15381	5.5
309.66061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1701
Annotation	17alpha-Ethinyl estradiol
Peak:m/z	Relative Intensity
57.56236	0.9
59.01371	0.9
60.39017	0.8
62.98613	0.9
100.11340	1.0
110.08726	0.9
161.04660	1.0
251.14351	1.4
256.07135	1.1
279.13800	1.3
295.17029	100.0
295.22696	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	59.9
59.01376	87.3
59.66573	1.6
70.59885	2.1
71.01364	3.7
73.02937	1.9
84.14655	2.7
89.02431	10.4
99.04507	100.0
101.02422	24.9
125.02418	27.9
133.05055	8.9
151.06091	61.1
161.04520	35.7
170.18211	2.3
193.07138	17.8
194.77423	2.0
233.10150	2.3
295.10333	39.0
297.47958	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	295.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	1.7
59.01373	7.1
61.74499	1.1
64.03727	1.0
68.84486	1.6
74.02463	2.8
80.84193	1.3
84.04569	1.9
86.02473	1.7
91.05549	6.2
98.42197	1.1
98.43050	1.3
100.88441	1.3
103.22404	1.5
109.04073	7.6
112.18609	1.3
121.86332	1.2
122.03714	50.3
123.04491	17.4
127.05118	97.7
128.03537	6.4
134.03728	7.1
134.96921	1.2
145.06175	7.5
149.05991	1.6
193.07321	1.5
235.10883	9.2
236.11685	1.9
262.09546	2.5
263.10284	17.2
271.47461	1.5
277.11920	10.8
295.12994	100.0
298.02014	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	295.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47329	0.4
55.96297	0.4
59.01377	100.0
59.39535	0.5
62.82911	0.4
65.41920	0.5
71.01357	0.8
73.02940	0.5
82.80546	0.5
85.02930	0.9
86.27918	0.5
87.00865	8.4
88.01205	2.2
101.02435	2.1
102.31926	0.5
107.14851	0.5
113.02444	0.9
119.04971	1.2
128.80804	0.5
137.02431	3.3
145.02962	2.1
147.04500	7.2
148.05324	8.1
163.03998	1.2
174.03281	0.6
175.03984	12.3
184.70146	0.8
189.09152	0.8
191.06989	0.5
193.89790	0.5
205.05040	2.2
207.06633	11.9
235.11829	4.7
251.05602	11.1
253.19080	1.1
295.04657	4.4
295.08276	1.2
295.11853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.061
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
50.76416	0.8
51.51149	1.0
59.01371	2.0
61.18025	1.3
66.33999	1.2
83.88433	1.1
90.99933	1.1
92.19370	1.5
92.73949	1.2
93.03440	7.2
98.09592	1.3
106.15128	1.0
115.80382	1.2
121.02956	6.9
131.05031	1.3
137.69644	1.1
145.02963	5.7
149.02496	2.7
161.02449	4.5
175.03993	19.2
184.10048	1.5
189.01869	1.3
201.01921	6.1
207.08125	1.9
209.06073	7.0
223.07648	5.6
233.05788	1.1
235.10309	1.2
250.06323	1.2
251.07170	17.9
253.05061	7.9
267.06564	2.0
277.05246	2.1
293.04510	1.8
295.06143	100.0
295.09521	5.6
303.94250	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	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15637	2.1
57.03447	57.2
59.01085	5.4
59.01375	94.8
61.52112	2.4
67.34235	2.7
71.01367	9.7
71.05006	2.4
75.00875	3.9
84.51353	2.3
89.02444	19.8
99.04505	100.0
100.63203	2.7
101.02402	25.2
113.02428	3.4
115.03978	5.3
119.03517	4.1
125.02409	25.0
133.05020	11.9
151.06114	61.7
161.04544	39.7
189.95990	2.9
193.07181	20.9
233.10233	2.8
237.06204	3.7
295.10309	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0611
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
72.29342	1.3
73.02096	1.1
76.23032	1.4
83.01360	1.6
87.80083	1.2
89.58726	1.4
93.03436	9.8
121.02931	2.5
126.31899	1.2
140.08832	1.4
161.02390	2.1
163.51828	1.2
174.03146	1.7
175.04005	26.7
189.01917	6.0
201.01964	14.0
209.06097	6.1
223.07555	2.2
225.05544	1.4
227.06993	1.9
249.05304	1.4
251.07155	21.6
253.05025	21.8
253.14362	2.1
267.06564	1.9
277.05002	2.6
295.06097	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	294.0985
Annotation	Nitrothal-isopropyl
Peak:m/z	Relative Intensity
52.84671	1.3
53.95023	1.1
69.03446	6.5
72.00900	8.4
76.02780	1.2
77.86777	1.3
82.02971	31.7
85.02936	31.4
91.05528	2.7
92.19339	2.5
100.04033	28.8
101.02435	19.4
110.93291	1.4
113.02454	2.6
118.06608	2.0
128.03471	1.9
129.01927	86.7
147.04491	31.1
164.07166	100.0
188.10905	1.3
189.09238	1.9
204.10368	1.5
242.30116	1.6
254.33064	1.4
266.10059	1.4
276.08740	33.5
294.09830	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.046
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	3.0
72.99290	2.9
74.32740	0.5
74.91253	0.4
83.01376	1.8
84.81503	0.5
85.02938	18.6
99.00882	0.8
101.02417	1.9
103.80464	0.5
111.00867	100.0
111.40475	0.5
119.27942	0.5
126.21074	0.6
129.01933	3.5
129.98587	0.4
154.99843	12.2
161.85577	0.5
173.00896	21.8
251.12970	0.6
264.10440	0.5
295.12128	0.6
313.31638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0984
Annotation	Nitrothal-isopropyl
Peak:m/z	Relative Intensity
59.01377	14.8
59.73338	1.8
60.01690	2.1
67.70058	1.9
69.20741	1.8
71.01397	2.7
72.04524	3.1
77.95958	1.7
82.02976	100.0
83.41703	1.8
89.02455	4.0
96.64516	2.4
98.02458	47.1
100.04036	60.9
105.84883	2.3
113.04623	2.1
121.02891	3.2
122.03728	38.7
132.02960	3.1
134.03720	46.9
149.06033	26.4
207.09007	20.4
208.98183	2.4
219.43515	2.4
234.25851	2.6
235.08492	4.7
246.49202	2.5
248.09291	10.2
250.10858	30.6
274.30173	2.1
294.06696	4.2
294.09830	99.8
294.12671	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	294.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.8
59.73338	1.8
60.01690	2.1
67.70058	1.9
69.20741	1.8
71.01397	2.7
72.04524	3.1
77.95958	1.7
82.02976	100.0
83.41703	1.8
89.02455	4.0
96.64516	2.4
98.02458	47.1
100.04036	60.9
105.84883	2.3
113.04623	2.1
121.02891	3.2
122.03728	38.7
132.02960	3.1
134.03720	46.9
149.06033	26.4
207.09007	20.4
208.98183	2.4
219.43515	2.4
234.25851	2.6
235.08492	4.7
246.49202	2.5
248.09291	10.2
250.10858	30.6
274.30173	2.1
294.06696	4.2
294.09830	99.8
294.12671	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	293.2123
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
58.67343	1.5
59.01370	1.8
65.21523	1.6
71.58226	1.5
78.25877	1.5
97.06580	1.9
99.08143	73.7
193.12267	24.2
221.15474	1.9
231.10059	1.8
265.21704	3.3
293.17929	3.7
293.21240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04760	0.8
57.03437	4.2
59.01352	1.0
63.18016	0.8
80.52103	1.0
91.85552	0.9
112.32114	1.1
113.09711	26.6
139.11244	1.0
167.10710	1.5
179.10730	2.0
195.13988	3.3
275.20074	1.3
293.18271	3.7
293.21231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21540	0.8
54.21839	0.8
67.79849	0.9
80.94495	0.9
96.95989	25.3
97.65089	1.0
108.65359	0.8
125.09652	2.2
127.53006	0.9
133.22855	1.1
140.83516	0.9
141.12819	1.9
158.14110	1.0
185.11836	12.2
196.73454	0.9
197.11751	4.2
220.14651	1.9
221.15465	8.7
236.10527	3.7
259.02225	0.9
262.91525	0.9
275.19974	1.0
293.17871	34.4
293.21201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.21304	1.6
59.01358	2.2
64.20469	1.7
79.49696	1.5
89.03160	1.6
95.05496	1.6
99.08136	55.0
99.08749	3.6
109.19576	1.8
193.12305	18.4
202.10696	1.7
208.64856	1.9
293.21222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22171	0.7
57.09396	0.8
66.67897	0.9
96.68273	0.9
96.95989	10.0
113.09708	1.4
139.11311	2.0
153.12836	3.8
191.18011	5.4
206.96736	1.0
221.15485	10.0
236.10490	5.7
247.20566	1.4
263.23779	1.2
293.17883	17.5
293.21167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93274	1.0
53.31224	1.0
59.08641	1.0
67.13856	1.1
81.95807	1.2
165.12857	1.3
195.08582	1.2
220.14572	5.4
221.15366	12.4
236.10521	7.8
239.79985	1.2
249.22240	4.9
249.24780	1.2
293.17963	3.2
293.21216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84561	1.9
63.25653	2.2
67.76962	2.1
69.52843	2.1
72.46965	1.9
88.08178	2.4
146.96877	2.2
164.98541	1.8
167.25804	2.3
195.13828	14.5
196.14728	3.1
205.06041	2.1
223.13409	11.3
275.20108	5.2
293.21237	100.0
304.75369	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18166	1.9
58.27060	1.6
59.41953	1.6
70.72898	1.5
74.12855	1.5
79.85725	1.6
81.38165	1.6
86.85459	1.7
96.95999	83.0
103.86670	2.0
110.74537	2.0
125.09721	2.0
151.11249	1.9
185.11826	11.6
190.64134	1.7
220.14711	10.2
221.15395	17.1
236.10506	10.5
293.17880	86.2
293.21222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40048	0.7
57.03203	0.8
57.03449	5.8
59.01372	3.7
60.48871	0.7
61.05790	0.7
75.77702	0.8
91.42945	0.9
96.95976	4.2
111.08129	1.2
127.10365	1.8
127.11271	35.3
153.09131	1.4
153.12828	9.7
165.09244	1.2
168.26103	0.8
181.12334	1.6
220.14517	1.4
221.15433	4.2
228.07516	0.9
236.10809	1.3
249.22133	6.2
293.18140	5.0
293.21219	100.0
307.78836	0.8
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	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
55.31245	2.9
80.00104	3.0
83.04960	4.2
83.53988	2.8
96.96020	3.8
101.18697	3.6
136.10204	3.2
169.12387	3.7
197.11832	33.7
220.14687	15.6
221.15462	48.6
232.75816	3.3
236.10547	33.6
249.18814	3.5
259.51605	3.4
275.16736	4.4
275.20084	18.6
293.17755	20.0
293.21152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.5
71.01355	1.2
71.68518	0.9
92.19987	1.5
96.95992	4.8
101.30058	1.1
122.03707	1.3
163.07375	1.1
208.36282	1.0
220.14552	5.0
221.15483	14.4
236.10493	8.2
245.76401	1.2
249.18536	7.0
249.22124	5.1
263.20142	7.0
275.16724	2.5
275.20126	18.8
293.17661	12.9
293.21170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68075	2.1
61.50948	2.2
65.81253	2.1
77.29159	2.6
78.19577	2.6
78.24111	2.0
81.40034	2.3
82.19028	2.2
84.27475	2.3
86.20492	2.9
93.97896	2.1
115.62760	2.6
121.10230	38.6
171.10245	64.5
177.34558	2.8
183.13933	19.4
185.11833	3.4
193.56007	2.2
198.92171	2.4
221.15602	3.1
231.21092	3.6
236.10623	3.3
261.62735	2.2
275.17401	4.5
275.20187	93.9
277.27625	2.6
293.17963	5.1
293.21246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12796	0.9
54.50365	0.9
58.02983	8.2
64.87099	1.0
75.00909	0.9
76.86191	0.8
86.62222	0.9
105.59770	1.0
109.02931	4.1
112.07651	1.2
112.08786	21.3
121.02930	19.3
129.10321	32.8
137.06039	5.3
144.03252	0.9
154.09845	11.9
163.03999	6.2
232.35426	1.0
234.11357	4.5
251.14005	100.0
276.13516	65.0
276.16586	2.2
293.16193	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.2
59.01375	5.2
59.45910	0.6
59.96093	0.7
83.39159	0.8
87.03609	0.8
96.95994	29.7
98.81681	0.9
113.09708	19.5
138.16066	0.9
139.11264	1.8
143.74178	0.7
145.02948	1.0
167.10681	1.1
177.12747	1.0
179.10814	2.0
183.13860	5.6
195.13879	6.5
220.14685	1.3
221.15369	3.4
223.13277	1.2
236.10529	1.7
249.22165	1.5
275.20193	3.7
282.46884	0.9
293.17917	40.0
293.21219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03444	1.7
59.01376	0.8
62.83014	0.6
66.01654	0.7
71.01382	0.7
71.59196	0.7
75.80700	0.7
81.12045	0.7
97.06545	0.9
123.08171	0.9
125.09697	5.7
141.12750	1.0
149.09746	3.7
167.14476	0.9
185.11809	18.5
197.11868	3.8
220.14639	8.6
221.15454	20.1
236.10512	13.9
251.12712	0.8
266.40152	0.8
286.00037	0.8
293.18033	3.5
293.21222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02674	1.1
59.01384	13.6
59.01624	1.3
59.86060	1.2
65.65637	1.2
67.16727	1.3
72.03347	1.2
72.99295	2.8
75.00867	2.9
77.43858	1.6
79.79014	1.3
100.04061	1.6
103.98129	1.1
116.86980	1.3
136.05301	13.3
149.09677	14.0
163.11249	24.5
189.12868	20.1
199.58708	1.6
205.12323	12.4
233.09810	2.0
233.11870	18.2
251.12897	100.0
282.79968	1.4
293.13916	5.5
314.30438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.8
59.96651	0.7
72.99284	3.5
75.00883	1.5
82.17348	0.8
84.04537	3.4
87.15369	0.9
119.05012	1.8
128.52132	0.9
136.05273	13.3
143.51147	0.8
147.08127	1.6
149.09711	13.9
161.09641	1.1
163.11282	22.3
168.55946	0.9
177.12794	1.4
179.14311	1.6
187.11313	1.3
189.12860	19.4
205.12364	12.9
233.11908	14.5
237.43478	0.8
249.09171	1.5
251.12903	100.0
293.13916	1.7
307.25287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57952	1.4
59.01082	4.0
59.01374	100.0
59.09245	1.6
68.93907	1.9
71.01373	44.3
73.02944	2.0
74.14735	1.7
75.00851	3.6
83.01366	2.6
85.02927	12.0
89.02428	65.1
101.02438	31.1
102.82480	1.8
113.02438	24.8
113.06081	2.3
118.05254	1.8
119.03462	25.8
131.07117	3.2
150.24260	1.9
221.06630	2.4
287.99530	2.1
293.07275	2.8
293.12424	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25806	0.9
59.01378	34.9
59.49130	0.9
65.55517	1.0
67.88061	0.8
71.01371	15.9
72.42590	0.9
85.02934	4.0
85.06575	9.5
89.02427	25.6
91.74388	0.9
95.01351	1.5
101.02448	14.5
113.02432	9.0
113.06071	2.0
115.07597	1.3
119.03448	9.1
127.07619	1.5
131.03496	1.0
131.07129	68.9
141.69490	0.9
143.03481	1.0
173.08234	1.3
293.12448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	93.4
74.02467	1.4
87.00857	29.6
104.03534	2.4
105.01919	45.6
117.03433	7.5
119.05002	48.2
130.59412	1.4
133.69096	1.6
145.02936	100.0
147.02980	50.4
148.66035	1.5
163.04001	26.2
189.05505	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	293.1144
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
55.56702	1.4
59.01381	13.1
66.65452	1.4
71.01376	3.1
72.00889	2.7
87.82525	1.5
89.02436	8.3
91.05501	2.9
91.50782	1.5
101.02415	2.4
109.04046	9.2
113.06057	2.9
119.03497	3.3
127.05135	35.7
128.03525	100.0
131.07085	2.1
147.04491	28.1
164.07172	67.1
191.31512	1.4
191.73763	1.8
228.69449	1.5
257.09332	7.9
275.10446	19.8
293.12057	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	293.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	87.5
80.25634	1.3
81.88941	1.3
87.00855	44.6
103.58608	1.7
105.01917	52.8
117.03428	9.1
119.04999	63.1
125.34436	1.4
136.36456	1.4
145.02940	100.0
145.04088	3.6
147.02975	67.7
163.03987	31.8
189.05576	6.3
212.41528	1.7
229.29810	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	292.2
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23398	2.9
68.25571	3.4
70.45246	2.9
73.40645	2.9
97.06577	63.9
98.06901	27.2
116.65653	3.4
127.72939	3.5
131.83543	3.3
137.13918	3.1
193.12401	11.1
194.12669	16.6
211.13382	32.4
212.13773	50.7
240.84525	3.4
292.20035	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	292.2
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23398	2.9
68.25571	3.4
70.45246	2.9
73.40645	2.9
97.06577	63.9
98.06901	27.2
116.65653	3.4
127.72939	3.5
131.83543	3.3
137.13918	3.1
193.12401	11.1
194.12669	16.6
211.13382	32.4
212.13773	50.7
240.84525	3.4
292.20035	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	292.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.3
61.59752	1.4
64.70588	1.5
79.21085	1.6
82.02971	26.4
84.04533	82.8
85.02932	25.2
100.04031	63.9
111.21532	1.5
128.03514	37.3
129.01891	2.7
149.52469	2.1
160.07709	2.3
188.10751	6.3
195.65854	1.6
204.10275	10.1
232.09773	100.0
250.10835	82.8
285.36084	1.5
292.11868	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	292.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40922	2.5
55.01862	12.6
57.03443	3.4
59.01380	79.0
71.01376	39.5
73.02950	20.4
74.42535	2.9
82.02975	3.2
83.01380	23.3
85.02939	36.2
97.77244	2.7
99.00829	3.6
101.02431	100.0
101.62919	2.8
108.33286	3.0
113.02440	15.1
114.34471	3.4
128.05037	4.1
130.06615	82.0
142.06589	5.7
164.07201	4.1
172.07663	16.1
184.07573	5.5
200.07191	19.5
202.08727	3.4
246.07796	6.0
292.11890	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66180	1.2
59.01375	23.0
64.94976	1.4
77.35244	1.4
78.18935	1.4
82.02971	30.7
84.04531	77.0
85.02940	28.9
91.05499	3.6
100.04032	70.6
101.02424	1.8
128.03517	36.3
129.01897	3.4
186.64198	1.8
186.71208	1.6
188.10771	3.7
204.10304	8.9
232.09772	100.0
250.10828	68.8
292.11969	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	292.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22986	1.8
59.01379	20.9
82.02984	30.4
84.04531	79.1
85.02924	29.4
91.05544	3.6
92.20035	3.4
100.04036	70.9
102.68242	1.8
103.09036	1.7
118.37321	1.9
119.60267	1.8
128.03513	39.3
129.01833	5.2
160.07635	2.6
188.10797	10.3
200.44113	2.4
204.10297	10.5
221.47490	2.0
232.09782	100.0
250.10831	95.6
292.11801	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	291.1966
Annotation	Methyl [6]-paradol
Peak:m/z	Relative Intensity
53.50969	2.6
55.39885	2.4
62.77956	2.5
71.35229	3.1
97.06576	92.5
183.13873	6.2
193.12329	22.4
204.45958	3.1
211.13437	72.7
233.06500	3.1
273.18527	4.0
291.19635	100.0
300.79773	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	291.1967
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
53.33001	1.5
59.01386	2.0
89.81062	2.1
89.86090	1.7
97.06577	100.0
116.92868	2.7
121.02959	2.1
190.78650	1.9
193.12347	20.1
211.13411	30.1
291.19684	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.233
Annotation	Grevillol
Peak:m/z	Relative Intensity
54.29819	5.9
70.67449	7.1
74.68987	6.3
81.59945	8.5
86.11936	6.2
92.36785	7.4
104.22897	7.2
121.02953	9.0
131.60912	7.8
149.44943	7.5
291.09143	31.4
291.20111	12.5
291.23264	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	292.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03867	2.1
59.01360	10.9
66.66362	2.0
70.99445	2.2
71.01369	4.3
72.00899	4.1
72.04536	3.2
73.02916	2.9
82.02973	98.9
83.01382	25.2
84.04523	17.4
85.02950	5.4
87.00894	2.3
91.03242	2.5
91.05519	10.5
94.02975	2.9
97.41705	2.3
98.02474	31.2
98.95865	2.4
100.04025	15.0
101.02437	15.1
111.03230	25.0
118.06577	6.0
126.01931	2.9
127.00372	9.5
130.06621	15.5
144.08168	3.3
144.64775	2.4
147.04495	42.1
164.07170	73.0
184.07651	43.1
186.09256	23.8
202.08743	44.3
203.60541	2.6
230.08121	16.5
246.07683	100.0
260.84964	2.3
274.07248	55.0
292.08340	24.3
292.11902	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.09498	1.4
71.48706	1.4
79.05080	1.3
92.19386	1.7
148.08980	2.0
165.12802	25.2
231.16629	1.3
247.20625	14.5
265.08801	1.4
273.18600	7.2
291.19672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88032	1.1
63.70856	1.2
67.01806	1.2
93.63991	1.3
98.89136	1.4
101.88511	1.3
133.59949	1.3
145.40018	1.4
148.08951	2.8
150.10501	1.9
165.12811	28.4
247.20624	16.2
257.93741	1.5
273.18539	6.9
291.19659	100.0
314.60104	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.30333	1.1
50.52834	1.0
57.03447	10.8
59.01371	2.0
67.28012	1.1
68.60595	1.1
79.95732	1.8
87.61772	1.2
90.78857	1.3
107.26154	1.2
109.57565	1.6
115.11878	1.1
121.02888	2.2
125.09689	8.7
151.11302	2.5
163.11224	2.2
176.15742	1.2
179.14412	1.6
181.12222	1.6
247.20662	1.8
291.19681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01363	3.0
71.05004	25.3
74.24917	1.6
95.97776	2.0
97.06580	12.8
125.09630	2.0
207.13945	2.2
219.13954	1.9
235.16989	4.5
247.20709	3.4
291.19666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01352	0.9
63.87979	0.8
73.20174	1.1
74.30734	0.9
84.80004	0.8
87.92730	0.9
93.07107	1.1
94.78020	0.8
97.06554	1.7
111.08119	1.9
121.10220	16.7
125.09702	9.3
140.29762	0.9
185.11801	12.0
195.13918	2.2
197.11832	1.7
209.11810	0.9
211.13335	1.9
240.66951	0.9
247.20764	1.6
273.18661	1.2
291.19650	100.0
297.68106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90870	13.2
54.04095	10.6
54.99521	12.0
59.01374	66.5
63.59313	11.5
66.07564	14.3
71.01376	62.9
77.10979	13.6
80.34727	13.2
83.01364	17.8
85.02943	22.0
88.55139	13.8
101.02444	69.9
113.02420	16.4
113.62049	15.0
130.22408	13.6
133.05667	13.8
161.04532	18.0
161.10030	100.0
181.33902	15.0
189.78062	13.5
211.13387	17.7
226.35008	16.8
249.11552	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00698	8.7
51.00234	7.9
54.75433	9.4
63.54924	8.1
121.10157	10.7
185.11870	18.4
209.04626	10.8
291.19617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32355	0.4
55.81570	0.4
82.70289	0.4
119.16010	0.5
135.04514	100.0
158.64946	0.5
177.02339	0.5
218.11884	0.5
249.12442	31.3
259.79016	0.5
274.11938	2.1
291.14645	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1812
Annotation	B-Octylglucoside
Peak:m/z	Relative Intensity
51.26860	4.1
55.01870	13.6
57.03450	6.2
57.44221	5.1
59.01377	67.1
62.81221	5.3
71.01369	82.9
73.02926	33.5
83.01369	24.3
85.02934	59.4
86.00066	5.8
89.02418	7.9
96.20049	5.3
96.55502	6.7
97.54559	5.3
99.00838	8.9
101.02432	100.0
102.98558	27.6
108.52473	5.8
113.02429	39.9
115.07574	5.9
120.99606	24.8
127.11327	6.2
130.89333	5.7
159.02834	7.0
161.04515	29.3
161.10025	11.1
162.10352	5.9
290.93442	5.7
291.18063	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51386	9.6
53.99321	10.7
58.07637	10.6
59.01392	87.1
59.68265	11.9
71.01366	85.0
72.38560	12.4
73.02935	30.3
78.56990	13.8
83.01389	20.8
85.02948	73.5
101.02428	100.0
113.02393	28.1
161.04558	30.0
161.09962	24.5
172.31526	13.8
180.13486	12.7
216.73766	11.8
291.18011	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	291.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	1.4
59.01371	3.3
64.44674	0.5
87.00858	2.4
113.09695	0.7
117.98950	0.5
133.63495	0.5
159.08485	2.4
161.10039	100.0
231.10577	4.8
249.11644	16.0
291.12631	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	291.127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99591	2.3
59.01370	3.4
63.26109	0.5
71.01348	0.6
76.18625	0.5
78.79012	0.5
87.00855	3.0
108.28621	0.5
113.09682	0.9
159.08424	4.0
161.10034	100.0
231.10539	5.9
249.11635	16.8
260.51547	0.7
291.12717	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	291.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12977	0.3
57.03456	1.2
59.01374	1.5
60.79778	0.3
61.25243	0.3
73.02926	0.3
83.05009	0.4
99.04517	0.5
101.49711	0.3
117.87772	0.3
119.04987	0.5
119.73546	0.3
120.99640	4.2
121.83775	0.3
132.73608	0.3
135.04518	100.0
137.09715	1.9
147.04485	0.4
155.10779	2.2
177.02000	0.8
181.08731	1.2
196.96573	0.3
199.09778	3.1
203.07359	0.4
207.11363	0.5
217.10826	4.5
229.14479	0.7
231.12282	0.6
249.12450	30.9
255.12495	0.5
273.13458	0.8
274.12030	1.5
291.14621	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
82.70484	1.6
97.19098	1.9
100.24313	1.7
107.52189	1.5
109.06560	9.7
118.78579	1.5
143.80911	1.7
145.06552	2.3
163.11275	1.7
167.10693	3.9
191.14352	2.5
242.36317	1.6
245.19124	7.1
287.16458	2.9
289.18076	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	289.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.1
59.28597	0.6
99.08147	2.7
105.07646	0.7
115.07613	5.1
125.09758	1.0
143.10745	1.0
155.10776	2.7
156.92857	0.8
157.12354	1.0
165.09253	0.9
167.10782	0.8
171.10268	18.5
185.11893	3.3
201.11311	27.1
235.17078	1.5
252.17947	0.8
253.18098	4.4
269.17502	4.0
271.19217	12.4
289.20221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1084
Annotation	Itoside L
Peak:m/z	Relative Intensity
57.03474	1.9
59.01085	3.8
59.01376	100.0
67.05511	24.8
68.53968	1.5
71.01373	51.6
73.02934	3.4
75.00869	7.7
83.01400	2.5
85.02953	13.0
86.96040	1.9
87.00861	3.2
89.02433	61.4
95.01341	2.5
99.04525	2.3
101.02425	36.7
111.04507	15.3
113.02444	20.5
119.03482	24.8
119.80273	1.7
127.03999	3.7
131.03482	2.6
161.04550	3.2
161.06386	1.9
179.05565	4.3
203.07248	2.2
210.74725	1.8
236.65497	1.7
247.11688	3.0
291.10867	60.5
291.14072	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	289.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65872	5.8
56.57009	4.9
57.44195	4.9
58.55226	4.8
59.01372	57.7
70.76967	5.8
71.01373	100.0
73.02939	38.2
83.01377	12.9
83.74445	5.2
85.02937	56.4
87.00811	6.7
96.80418	5.6
99.00870	11.2
101.02442	62.5
102.71311	5.7
113.02452	28.7
120.35378	5.5
138.43817	6.1
161.04530	14.3
170.42392	6.0
171.67114	5.7
174.97646	6.2
177.08791	7.2
289.12048	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	289.1657
Annotation	oscr#14
Peak:m/z	Relative Intensity
57.03434	1.6
58.00585	2.5
59.01368	16.6
67.60294	1.2
69.77551	1.0
71.01364	6.0
73.02936	8.1
82.84554	1.0
83.05016	5.0
85.02945	1.1
92.19971	1.4
95.04996	1.5
97.02892	1.2
99.04449	1.8
101.06078	5.0
111.04485	2.6
111.08104	1.5
113.06067	6.2
113.09718	3.9
115.03992	21.2
125.09698	1.9
129.05508	9.6
143.10765	2.1
145.05031	12.2
155.10793	4.9
161.13350	5.7
167.10806	1.9
171.10304	1.7
185.11795	1.9
191.14378	1.4
229.10793	8.1
243.48938	1.3
247.11853	1.5
253.14534	1.4
271.15463	8.8
289.13235	4.5
289.16550	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	289.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94228	1.0
51.61820	1.1
58.99604	5.9
59.01374	7.5
79.43392	1.3
87.00873	2.7
89.00659	35.8
102.98591	2.3
127.23277	1.3
127.93979	1.5
128.03522	1.3
139.11237	1.9
141.07437	17.5
147.04494	2.0
159.08470	100.0
159.49117	1.6
164.57605	1.4
191.03403	2.2
193.85570	1.5
209.97258	1.4
212.63373	1.5
229.09021	6.6
247.10106	28.9
289.11279	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	289.1195
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
52.37412	1.0
57.58920	1.0
67.07219	1.0
72.04533	2.9
73.41898	0.9
73.76906	1.0
73.79140	1.0
79.98586	1.0
82.02972	51.5
85.02930	7.4
98.02427	2.0
100.04031	37.5
100.22658	1.2
101.02427	2.6
128.03517	48.9
129.01906	8.2
142.06601	5.0
159.09254	6.5
188.49496	1.3
215.11887	1.5
243.11375	77.6
271.10883	12.3
289.11945	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	289.1295
Annotation	Trimethoprim
Peak:m/z	Relative Intensity
52.86093	1.5
59.01381	11.4
59.44029	1.7
64.98847	1.4
71.01353	1.7
72.99298	2.4
73.02961	2.7
83.05019	30.8
85.02922	1.7
85.06600	1.9
88.04049	2.9
96.96986	1.6
97.06585	11.0
98.13313	1.4
107.05034	8.0
109.06596	8.2
111.04562	1.8
112.08439	2.2
113.06098	2.6
127.03990	2.4
129.05579	27.3
133.67313	1.5
137.09668	1.9
141.05611	3.8
147.11810	1.9
159.06645	10.1
165.12833	6.7
173.10115	3.1
185.08270	1.7
185.10014	1.8
191.10857	3.1
209.11812	15.7
227.12982	4.0
245.13979	20.5
249.42966	1.9
253.10397	1.9
289.13040	100.0
289.16263	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	289.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36394	8.7
59.01369	76.2
71.01371	100.0
73.02921	17.8
74.02446	8.8
78.99440	8.2
83.01359	17.1
85.02923	56.6
99.00890	13.2
101.02428	82.6
102.65014	8.0
113.02428	37.5
139.11249	19.9
139.60205	8.3
142.42673	7.9
159.02960	9.7
185.11786	18.0
203.08252	21.2
215.12901	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	289.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87171	0.8
54.29335	1.0
55.45903	0.8
58.02975	17.6
70.02973	9.9
72.00907	1.8
72.04540	4.3
74.02467	76.8
88.45175	0.9
98.02452	18.3
100.51624	1.0
116.03526	20.4
116.05035	32.3
124.15449	1.0
130.06595	2.1
139.11308	4.2
141.09021	1.0
142.06671	6.7
159.09265	13.0
167.10753	1.5
185.11884	3.6
186.05626	1.1
201.10307	5.0
203.08266	87.2
229.10832	2.0
245.09311	100.0
247.11888	2.2
289.13168	2.1
289.16647	1.3
313.16602	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	289.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77868	1.2
53.30631	1.1
58.02975	15.9
59.01373	1.9
61.01588	1.2
70.02958	12.3
70.52363	1.3
72.00894	1.4
72.04545	3.1
74.02461	84.5
98.02469	18.4
116.03519	16.8
116.05040	28.4
126.00146	1.4
130.06627	1.8
136.48199	1.2
139.11267	11.8
142.06599	6.6
146.63766	1.2
159.09244	14.1
166.30800	1.4
167.10747	2.8
178.41846	1.3
183.09258	1.9
185.11838	12.7
186.05486	2.2
201.10329	6.7
203.08249	100.0
215.62276	1.4
215.64673	1.3
220.18355	1.5
229.10748	8.6
245.09276	87.5
247.11876	7.4
289.12912	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	289.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18298	0.9
52.96181	0.9
56.75943	0.9
59.01371	5.5
71.01374	9.2
75.19415	0.9
79.99046	1.1
82.77396	0.9
83.82640	1.1
88.04028	100.0
111.03658	1.0
114.01965	2.5
115.00343	22.1
125.09795	1.5
130.06612	2.3
132.03020	62.5
132.04030	2.3
137.37576	1.1
146.06084	2.6
156.04544	9.7
167.10747	1.1
169.08789	1.3
173.07132	15.0
174.05568	14.1
185.11862	5.9
187.09851	1.9
191.71165	1.0
192.75883	1.1
196.62181	1.0
217.81946	1.1
229.10736	5.2
245.09341	5.7
245.13696	1.3
247.11784	5.0
269.20370	1.0
271.06085	1.0
289.08331	46.5
289.12991	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20269	1.3
58.02966	17.0
64.32099	1.6
70.02960	13.5
72.00922	1.9
72.04551	2.7
74.02463	71.7
85.77019	1.4
98.02449	14.9
116.03532	18.5
116.05038	30.9
139.00047	1.6
139.11282	7.2
141.63040	1.8
142.06641	3.0
159.09288	8.4
167.10730	1.5
185.11775	5.8
186.05568	1.6
201.10411	6.1
203.08263	98.6
229.10785	7.9
245.09300	100.0
247.11804	3.1
289.12814	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	288.1352
Annotation	Imazethapyr
Peak:m/z	Relative Intensity
50.78613	0.8
58.02964	2.5
59.01371	1.2
65.93672	0.9
70.02957	1.6
74.02466	2.3
82.56519	1.0
84.04514	4.4
85.02924	1.1
86.02456	1.1
86.03291	0.9
92.19905	1.6
99.05597	1.1
101.07191	21.7
109.04057	9.6
125.36575	1.1
127.05115	91.4
128.03520	14.2
130.06476	1.2
145.06160	4.9
150.05583	1.3
159.09258	7.6
213.10284	2.2
230.60095	1.1
242.13097	1.3
244.14511	7.3
246.14375	1.5
270.12521	13.9
288.13513	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	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
56.94928	2.0
59.01370	32.9
69.67274	2.1
81.37690	2.4
106.65066	2.2
148.24741	2.2
221.12317	2.9
269.21164	2.9
287.22275	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	288.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20840	0.4
59.01377	1.3
62.71417	0.4
66.03481	5.2
71.01372	7.5
73.02935	2.1
74.51684	0.5
82.02975	44.6
83.01379	0.6
85.02946	3.3
87.00854	0.8
101.02430	3.2
105.74261	0.5
113.02423	2.4
126.01956	100.0
161.04503	2.7
184.13419	7.8
228.12424	3.0
241.43822	0.6
246.13383	4.2
288.07211	2.9
288.10635	0.5
288.14429	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	288.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91841	1.4
59.01371	1.6
68.62859	1.6
69.16978	1.5
70.60419	2.0
71.01365	24.4
80.04064	1.6
83.05009	2.6
87.24338	1.7
88.04025	58.5
95.93152	1.8
107.49770	1.6
111.08141	75.2
115.00341	23.9
128.10800	2.2
132.03012	8.6
172.09781	100.0
173.06834	2.1
173.08171	33.3
182.11790	3.3
184.09729	3.4
202.10811	7.3
211.41069	1.9
244.11920	7.2
270.09805	3.6
288.10907	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2227
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
59.01376	100.0
67.43267	1.7
70.52024	1.6
76.44633	2.0
96.90391	2.0
111.34177	2.1
113.10075	1.8
139.48956	2.0
140.98796	2.1
155.97443	2.0
167.20135	2.0
171.80104	1.9
287.22104	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00994	1.3
51.74059	1.5
52.46461	1.5
68.99345	1.5
90.04096	1.7
99.08163	1.9
100.92587	2.5
110.01283	1.7
134.41962	1.9
141.12852	2.3
143.10695	2.2
185.11832	16.6
218.23732	1.7
239.20105	6.5
287.05472	1.8
287.22302	100.0
287.25522	3.5
289.44266	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	287.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14604	0.9
55.58029	0.8
82.30915	1.1
108.76323	1.0
131.03680	1.1
132.04518	8.9
133.05293	2.0
144.04521	4.0
158.06097	2.3
160.07661	6.0
172.06403	6.8
172.07686	1.2
173.08424	4.9
174.09198	3.5
174.27600	1.2
187.08760	100.0
188.86523	1.2
201.10338	13.6
202.11130	92.9
203.11922	9.1
279.52982	1.1
287.15125	3.0
287.17670	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2226
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
57.03457	2.8
66.04245	2.9
67.23241	3.4
79.74630	3.3
87.41075	3.1
104.37457	3.4
116.31338	4.1
128.78349	3.7
140.95055	4.1
143.70195	3.8
183.17574	13.0
191.68863	3.8
211.20660	16.7
223.20592	4.1
241.21693	30.7
287.22318	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	287.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23011	1.2
59.01376	1.2
76.72088	1.1
77.64169	1.3
80.89785	1.2
81.35507	1.3
90.94083	1.1
91.23454	1.3
99.14483	1.3
111.04499	7.0
131.03708	1.4
132.04561	9.4
133.05316	2.1
138.48793	1.5
144.04509	6.2
154.99902	2.1
157.03316	1.6
158.06116	4.4
160.07678	7.5
172.06390	5.5
172.07732	1.5
174.09183	1.9
187.08760	100.0
190.05209	1.7
201.10240	11.5
202.11124	82.6
203.11928	8.1
245.04758	1.5
276.65005	1.3
287.17673	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1502
Annotation	Crispine C
Peak:m/z	Relative Intensity
55.01114	1.5
56.32038	1.7
59.01371	12.7
59.30289	1.4
82.12155	2.0
104.70404	1.9
124.28796	1.8
144.37733	1.8
165.12878	17.2
183.13896	100.0
196.71594	1.8
199.13423	19.7
227.12900	28.4
245.13922	75.9
287.15042	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	287.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62038	1.2
59.01358	2.1
91.04005	1.9
97.06542	2.1
151.11290	17.2
158.13274	1.4
169.12331	100.0
195.10252	2.7
213.11256	9.5
251.40620	1.5
276.57712	1.5
287.15027	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	287.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42487	1.0
50.62691	1.1
56.49266	1.1
58.13713	0.9
59.01376	100.0
64.69936	1.2
70.48217	1.0
72.99297	4.5
88.63682	1.2
89.05710	1.1
92.19933	2.4
99.00809	1.2
100.01633	1.1
135.11755	1.3
141.05746	1.1
147.70912	1.2
154.99852	2.4
155.10788	2.0
160.98022	1.2
201.11165	1.4
209.11847	10.9
227.12885	12.6
245.13911	10.0
287.14920	2.0
289.08829	1.2
300.00171	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	287.1499
Annotation	Crispine C
Peak:m/z	Relative Intensity
53.83855	0.8
59.01373	100.0
63.63549	0.7
71.01359	0.9
72.99287	6.2
75.00849	0.7
82.55835	0.8
83.01401	0.9
99.00864	4.0
99.73680	0.8
104.17141	0.8
137.09703	3.1
139.11261	1.1
147.11940	0.8
154.99831	3.6
155.10725	4.7
165.12804	4.0
183.10292	1.5
201.11308	1.9
209.11819	9.5
227.09204	4.9
227.12868	12.7
245.10176	1.6
245.13924	18.8
287.11264	1.6
287.14926	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	287.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56097	0.6
53.15660	0.6
56.33093	0.6
59.01382	1.5
65.67885	0.6
71.09119	0.7
72.99308	0.7
73.02930	1.3
87.00858	0.9
111.04512	1.1
120.99664	0.7
123.08185	1.3
132.04605	2.8
144.04526	2.7
154.99857	1.4
157.03181	1.0
157.07658	1.5
160.07680	1.3
173.03575	7.9
178.95103	0.8
183.05603	15.5
187.08765	22.7
201.10338	3.9
202.09366	1.3
202.11116	22.5
203.11934	1.2
215.04604	39.3
225.06648	1.0
229.07182	1.7
243.07668	6.4
287.06741	100.0
287.10855	2.9
287.11624	2.9
287.14920	3.1
287.17664	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	287.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08068	1.2
50.13263	1.4
51.17343	1.3
51.29337	1.4
51.54972	1.4
53.44714	1.3
57.03456	1.4
59.01378	1.4
60.52679	1.4
63.55252	1.4
74.94758	1.5
78.91081	1.5
80.37325	1.5
84.04566	1.9
93.19974	1.7
111.04497	13.4
114.05599	11.9
117.35432	1.7
117.66228	1.6
129.97040	1.7
131.03737	2.6
154.99887	9.7
157.03267	6.8
157.07660	1.8
158.06075	3.4
173.03587	3.5
183.05617	10.1
183.10391	1.9
208.32840	1.8
212.00771	2.0
215.04654	45.0
243.07704	2.8
287.06750	100.0
287.10626	8.9
287.15186	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.66316	0.9
51.22401	0.8
54.89221	0.9
57.67664	1.0
74.06107	1.2
87.90893	1.1
91.88424	1.0
101.01906	1.1
107.73916	1.1
141.21832	1.1
152.57460	1.1
167.69704	1.0
207.23241	1.1
240.23453	2.4
242.21196	1.5
286.23883	100.0
301.56540	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	287.0562
Annotation	Swertinin
Peak:m/z	Relative Intensity
59.01382	2.1
66.33803	2.1
78.25482	1.7
81.16135	1.8
83.05052	1.8
111.00999	1.9
111.04509	3.6
120.30981	2.0
130.14507	1.7
143.05086	2.3
152.73354	2.0
156.05846	8.6
158.06052	2.7
171.04526	11.4
172.05315	16.0
176.69023	1.9
183.04439	2.6
184.05273	49.9
187.08795	9.4
199.04002	10.6
200.04802	49.6
202.11163	14.5
228.04297	58.2
243.06572	7.6
272.03259	64.4
287.05646	100.0
287.10672	3.7
287.14926	8.5
287.17725	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	285.2435
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01384	4.7
92.19432	3.7
92.67471	2.9
114.41682	3.0
176.74367	2.8
180.82440	3.0
184.21255	2.9
185.29138	3.0
205.27448	3.4
239.23953	4.0
285.16055	3.6
285.20996	10.5
285.24323	100.0
285.27100	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	286.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	8.5
58.30197	1.3
58.67336	1.4
61.74644	1.5
71.01378	15.5
74.51695	1.5
88.04026	100.0
109.06577	26.5
114.01931	3.0
114.05567	2.2
115.00348	32.9
126.09234	20.2
127.07641	35.9
132.03015	87.9
170.08218	49.2
171.06595	16.7
189.46838	1.9
220.00771	1.9
222.31639	1.7
230.27606	1.6
242.10310	2.9
268.08176	10.4
286.09341	77.6
286.12512	3.3
309.43771	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	285.2072
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
53.76622	0.9
66.64495	0.9
73.53914	1.0
73.76807	1.0
75.59898	0.9
99.08144	4.8
113.14309	1.0
115.77750	1.1
185.11819	1.5
211.20705	4.7
239.20158	61.7
267.19720	2.4
285.20755	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	285.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99825	1.8
78.95898	13.2
84.53865	1.6
125.09711	2.3
127.11261	2.5
155.10757	10.6
157.08694	40.3
183.10222	3.1
204.68233	1.9
208.34828	1.9
249.18774	2.0
267.19647	2.8
285.17621	3.8
285.20706	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	285.2071
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
53.80140	1.1
58.00666	1.1
59.01371	2.0
59.62515	0.9
61.15043	1.1
78.95892	6.4
97.81857	1.1
99.08139	14.8
110.54739	1.3
127.07588	2.0
129.09215	20.5
136.98755	1.4
143.10744	1.8
155.10773	38.7
157.08667	4.7
165.83772	1.4
167.10767	7.6
176.74898	1.2
185.11842	6.5
213.14911	1.3
249.18613	8.2
267.19623	10.1
273.83954	1.2
285.12088	2.3
285.20712	100.0
298.40704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
58.59605	2.0
59.01376	100.0
73.94364	2.4
92.53439	2.7
98.03693	2.4
110.75872	2.4
115.03976	6.1
175.30855	2.5
207.17621	2.8
223.20587	10.1
225.18597	4.3
285.18457	22.5
285.21268	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	285.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51089	0.5
57.59763	0.5
75.00123	0.6
85.06566	2.3
92.59478	0.6
97.06538	0.6
113.09685	1.3
123.08120	0.8
125.09702	4.7
126.81290	0.6
127.11279	1.1
133.34100	0.5
155.10796	1.2
155.14444	1.3
160.55193	0.5
172.37630	0.7
186.79938	0.6
190.61479	0.6
199.13252	0.8
265.18112	1.2
267.19626	3.3
285.20709	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	285.207
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
58.30833	0.7
74.39066	0.8
79.22945	0.8
85.06584	3.4
125.09705	1.4
127.11275	2.0
171.10262	5.5
249.18375	0.9
265.18091	3.7
267.19693	9.6
285.20718	100.0
290.15982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56016	1.4
58.83754	1.2
59.01381	3.1
61.44626	1.5
78.95849	2.0
82.89021	1.6
99.08136	5.9
113.09750	1.5
127.11259	1.7
136.04787	1.7
141.09233	2.0
151.79268	1.5
155.10712	1.5
157.08640	7.3
169.12344	1.9
185.11823	28.0
187.09731	1.7
199.13518	2.2
215.12737	1.7
249.18552	2.9
267.19650	8.7
285.08093	6.5
285.11865	2.3
285.20721	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	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
59.01375	97.9
59.79340	2.3
100.99547	2.8
110.90310	2.4
111.57327	2.2
124.10188	2.1
131.02817	2.1
174.75735	2.1
223.20717	3.8
260.15436	2.4
285.20700	100.0
285.27139	2.9
298.11426	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	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
54.60447	1.7
57.39283	1.8
59.03915	1.7
63.86629	1.9
67.41739	1.7
89.54902	1.9
98.18475	2.1
125.97599	2.5
155.82617	1.9
185.11893	2.0
223.20662	45.7
239.20264	2.0
267.19656	64.9
285.17786	4.1
285.20734	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	285.207
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.17956	1.4
65.70093	1.3
99.08163	11.9
105.06071	1.5
128.96614	1.3
139.11208	1.5
185.11823	39.6
199.13329	7.3
215.12807	5.9
249.18571	8.7
267.19666	11.4
285.20712	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	285.1861
Annotation	CHEBI:70567
Peak:m/z	Relative Intensity
56.89369	1.1
59.01365	2.0
74.86805	1.1
78.95868	2.0
85.06590	14.7
109.89905	1.3
118.25484	1.1
185.09650	1.4
187.11208	5.5
196.14771	1.1
199.11317	9.3
215.14465	18.2
247.13393	2.1
285.07986	2.6
285.18527	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	285.1859
Annotation	CHEBI:70567
Peak:m/z	Relative Intensity
53.04356	0.3
89.67769	0.4
89.77315	0.4
102.00479	0.4
102.56692	0.4
215.14406	0.5
235.91876	0.4
241.15990	12.8
258.78748	0.4
267.17368	0.7
285.18582	100.0
285.51660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.4
59.01368	7.2
59.98513	10.2
72.99290	6.9
83.70298	1.3
83.93062	1.2
97.02914	3.5
98.03719	37.0
99.04501	2.7
105.95883	1.6
125.06119	2.0
129.09161	7.3
139.99417	1.4
155.01715	2.5
187.12331	5.5
197.11914	1.5
226.06285	1.6
243.12234	17.4
285.13367	8.5
285.16077	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	285.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52790	0.6
57.76185	0.7
71.06139	0.7
89.85792	0.9
92.19351	1.4
121.73815	0.8
124.88120	0.8
167.27757	0.8
177.71216	0.8
184.11337	1.4
198.13063	1.0
200.14503	1.9
213.13982	7.3
285.16098	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.8
65.43089	2.0
73.21856	2.3
78.95881	2.4
83.05018	12.1
86.25291	2.1
91.51703	2.4
99.08175	3.9
109.03699	2.2
123.08157	4.2
125.06040	8.3
129.09189	18.8
137.58931	2.0
141.09250	4.7
143.07129	16.7
155.07138	13.7
185.11800	19.9
204.88994	2.1
205.15968	9.0
209.15451	38.6
223.16940	3.6
227.16464	23.8
249.18552	5.2
267.16003	20.0
267.19589	3.7
276.56812	2.7
285.17090	36.5
285.20700	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	285.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.9
59.32408	2.6
61.40532	2.6
61.83908	2.8
63.21059	2.5
153.12849	40.2
154.56801	3.7
163.11296	33.3
179.45741	3.0
179.66570	3.0
181.12328	93.7
197.11786	5.4
199.13405	42.5
214.30269	4.2
225.11284	52.0
243.12355	100.0
285.13339	33.2
285.16071	8.1
285.26941	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	285.1608
Annotation	Huperzine D
Peak:m/z	Relative Intensity
53.91084	2.1
56.23714	2.4
58.97474	2.4
59.98514	5.8
64.84676	2.5
73.02916	2.4
97.02928	3.8
98.03712	62.0
110.23653	3.1
153.14809	2.8
187.12372	11.8
213.47504	2.8
222.09430	2.6
284.80469	3.6
285.16052	100.0
298.46127	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	285.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68955	1.6
52.65593	1.8
59.01381	33.3
69.03452	2.1
77.73368	1.9
92.19993	2.7
114.98679	1.8
117.65247	1.8
153.12833	28.9
158.92804	2.1
163.11290	32.2
178.48555	2.3
181.12340	100.0
197.11852	9.3
199.13412	35.2
223.13448	2.6
225.11301	58.6
241.14423	2.4
243.09891	3.9
243.12360	92.0
266.39880	2.0
285.13336	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	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
59.01380	1.2
66.91457	1.1
71.01350	2.1
85.02934	1.3
87.00882	1.8
95.05035	1.4
108.02157	94.9
109.02940	21.4
113.02417	1.7
119.04974	2.5
120.99628	5.0
123.04503	49.3
151.04037	1.8
152.01134	100.0
153.01924	35.0
161.96523	1.3
182.02234	16.1
196.13136	1.2
197.04570	16.2
285.06171	77.2
285.09680	6.0
295.17261	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	285.0769
Annotation	1,2,8-Trimethoxyxanthone
Peak:m/z	Relative Intensity
52.71761	2.1
56.55354	2.6
57.47942	2.1
61.72881	1.9
68.64404	2.3
87.00869	10.9
93.03442	49.7
101.16875	2.9
103.51221	2.4
106.04221	16.2
107.05019	72.9
117.03421	3.1
118.68645	2.4
119.04999	11.8
134.03735	2.7
135.04485	12.6
147.04491	10.1
150.03210	65.7
151.04004	5.5
168.72337	2.3
178.02718	3.0
179.03494	59.1
182.02194	17.1
191.03445	22.1
211.07646	100.0
213.09273	4.3
221.06145	2.7
223.07584	14.9
236.31732	2.3
243.12405	6.0
255.06656	52.7
267.06604	32.4
285.07739	40.7
285.16180	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	285.0979
Annotation	Orcinol glucoside
Peak:m/z	Relative Intensity
55.81094	0.5
59.01372	5.0
63.98094	0.5
69.25167	0.5
70.37653	0.6
71.01378	6.9
73.02927	0.7
85.02938	3.2
88.04026	0.8
89.02416	3.2
93.03453	0.8
95.05000	2.5
101.02425	4.0
107.05055	0.9
113.02441	3.0
114.05589	1.4
117.57477	0.6
121.02938	0.8
122.03706	1.1
123.04507	100.0
135.04503	2.7
158.45753	0.6
161.04530	1.2
249.12430	11.7
285.09793	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	285.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73132	0.6
59.01359	0.9
62.19059	0.6
64.32874	0.7
75.71930	0.8
86.53207	0.8
87.00864	4.5
95.98001	0.8
99.52380	0.7
108.02168	0.8
114.05589	1.1
119.05009	64.9
120.99638	100.0
123.04502	0.8
134.03696	3.3
137.07219	0.8
149.06062	6.6
163.04012	11.0
167.03616	0.7
175.62807	0.8
182.02188	3.8
197.04556	6.6
213.09920	0.8
233.31554	0.8
285.06091	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	284.125
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02981	6.5
83.06125	1.2
88.03991	1.8
101.07195	2.2
110.02451	11.7
110.80841	1.4
113.07182	28.4
119.04987	7.3
120.01199	1.5
126.01971	1.9
127.05113	18.1
128.03555	2.9
132.02972	3.2
134.06085	1.5
139.08780	1.6
145.06142	6.6
151.02574	6.7
152.02972	2.7
152.07095	1.7
180.09807	2.8
180.11407	82.2
181.09833	1.8
198.12466	100.0
206.09256	1.6
224.10364	13.4
240.13626	1.5
242.11391	5.2
266.11414	37.0
266.14200	2.1
284.04422	1.8
284.07736	2.3
284.12497	80.8
284.26749	7.0
286.45972	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	284.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11232	0.5
63.44539	0.6
71.01380	1.1
80.73955	0.6
88.04030	24.7
110.02467	1.1
110.58006	0.6
114.01979	2.6
115.00354	8.5
119.42689	0.6
132.03017	100.0
154.01367	0.7
182.52515	0.8
182.91057	0.6
225.57123	0.6
240.08873	1.0
284.07843	1.1
284.26685	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	283.2279
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
58.44958	1.3
58.51219	1.3
59.01376	2.7
94.02763	1.5
95.49737	1.3
171.10233	3.2
172.73637	1.7
201.02676	1.6
225.13609	1.7
239.20116	2.2
265.21704	13.7
283.19333	7.1
283.22815	50.2
283.26422	100.0
302.06265	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	283.2279
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
53.80598	0.6
55.00838	0.7
59.01373	1.0
80.65347	0.7
94.54078	0.8
153.12762	1.3
201.02583	1.2
239.23802	1.2
283.22772	100.0
283.26392	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1914
Annotation	Koninginin C
Peak:m/z	Relative Intensity
52.84539	2.3
54.23073	2.6
64.45977	2.5
80.09097	2.5
80.99857	2.4
81.96367	2.6
92.20010	3.5
101.38741	3.0
127.11325	2.6
139.07539	3.9
163.11224	3.7
174.75520	2.6
221.19109	11.1
265.18073	100.0
283.19186	95.7
283.26288	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	283.1915
Annotation	Koninginin C
Peak:m/z	Relative Intensity
57.03437	1.1
58.54673	0.6
59.01367	1.1
64.79181	0.6
83.05013	1.5
99.08147	52.7
113.09715	0.8
125.09698	1.4
137.09671	0.8
153.12805	1.3
167.10744	2.7
181.15924	0.9
209.19183	0.9
211.20699	3.8
236.24918	0.8
237.18661	9.9
239.20084	1.2
265.18103	4.4
281.17538	0.8
283.19171	100.0
283.26334	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	7.1
67.42964	1.4
71.04997	1.9
79.72257	1.5
80.82622	1.5
81.26086	1.7
99.08141	33.0
99.33683	1.4
108.77732	1.4
120.68559	1.4
125.09738	2.2
126.00065	1.4
141.09210	2.1
144.39243	1.5
155.10698	1.7
167.10681	2.0
171.02606	1.6
201.02596	2.0
212.70122	1.5
213.15012	2.5
216.42662	1.3
237.18581	8.2
241.18115	7.0
265.18073	2.0
283.16635	2.2
283.19177	77.0
283.26398	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	283.1914
Annotation	Koninginin C
Peak:m/z	Relative Intensity
57.03426	2.9
59.01370	13.5
61.79648	2.4
82.65710	2.8
89.58044	2.5
99.08152	4.4
100.18453	2.6
113.09721	5.8
123.08134	4.7
129.09189	3.7
139.11256	10.6
153.09235	11.1
169.08694	6.3
171.10364	4.8
183.10257	31.1
201.02464	3.9
203.17981	4.6
265.18051	17.3
283.19196	100.0
283.26419	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1915
Annotation	Koninginin C
Peak:m/z	Relative Intensity
52.01046	1.3
52.85527	1.2
54.19648	1.4
57.10039	1.4
59.01371	8.1
68.87672	1.3
82.77125	1.5
113.09676	3.4
125.09661	2.8
153.09157	2.1
201.02489	7.2
237.18530	1.9
239.20253	2.7
265.18106	8.1
265.25098	1.5
283.16135	3.0
283.19196	82.3
283.26422	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	283.0976
Annotation	Swietenocoumarin B
Peak:m/z	Relative Intensity
59.01383	16.8
73.09727	1.2
76.26221	1.4
80.80093	1.4
92.19352	1.9
93.03445	69.0
97.60242	1.3
111.92059	1.3
116.50410	1.4
132.05777	2.2
133.06606	14.1
145.06560	10.6
156.59291	1.5
210.06877	6.1
211.07677	16.7
223.07643	52.1
224.08379	2.9
237.09120	2.1
239.10782	38.8
265.08682	15.9
267.15808	1.5
283.09747	100.0
283.26437	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01349	5.8
59.29554	0.8
69.89380	1.0
85.06097	1.1
85.06570	23.4
185.09700	9.6
198.09003	1.2
198.10518	17.8
201.02565	1.3
213.09131	1.2
231.69424	1.0
239.20061	1.2
265.18066	2.8
283.14017	5.7
283.16812	100.0
283.18997	8.3
283.26407	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1914
Annotation	Koninginin C
Peak:m/z	Relative Intensity
59.01368	7.2
66.25768	1.4
79.56502	1.6
104.43739	1.6
113.09651	1.5
129.05559	1.8
129.09193	6.8
141.09192	7.1
143.07115	3.5
157.08636	2.4
171.10242	1.9
195.17656	1.7
198.53506	1.7
201.02429	3.2
245.25443	1.8
265.18106	13.3
283.15656	13.0
283.19131	23.4
283.26413	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	282.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29243	0.9
56.52518	1.4
58.02977	95.9
76.02283	2.0
79.88699	1.1
92.19980	1.4
118.03317	100.0
119.05010	56.9
163.04008	13.8
200.59756	1.3
282.14349	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	282.0842
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.80338	0.4
57.20819	0.4
59.07519	0.5
59.34803	0.5
59.52668	0.5
64.51568	0.5
65.40395	0.5
88.04032	0.7
90.92863	0.5
104.41688	0.5
107.03639	1.3
108.02040	2.8
113.42676	0.5
115.00381	0.6
123.04504	1.4
126.03043	2.2
132.03009	2.2
133.01558	15.0
136.92905	0.5
150.04202	100.0
166.05103	1.3
167.03534	0.7
176.07144	0.8
182.57954	0.6
220.06277	0.7
222.43074	0.6
282.08505	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	283.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08644	0.7
58.99607	17.7
59.01379	10.0
61.64426	0.7
61.73153	0.7
66.15407	0.7
71.01370	11.3
73.02930	1.8
75.28138	0.7
85.02946	4.0
87.00860	11.1
89.02419	6.3
89.24709	0.8
101.02418	7.6
102.98584	100.0
113.02421	7.3
119.03423	1.0
126.84142	0.7
143.87878	0.8
149.79150	0.8
161.04555	4.6
214.52798	0.8
221.21831	0.7
249.06148	4.8
256.24979	0.8
268.06058	1.0
283.04956	26.5
283.07870	1.9
283.11578	2.5
283.26352	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	282.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02647	2.6
62.97770	2.8
66.32864	3.2
71.01363	37.6
78.09435	2.9
88.04029	34.4
88.95496	2.9
104.03532	6.2
106.13868	3.2
108.02161	30.9
114.01958	35.5
115.00350	55.5
123.04512	59.0
132.03021	85.2
133.01505	5.2
150.04199	87.5
150.05478	5.6
151.02716	6.8
166.05089	58.9
167.03491	54.9
176.54951	3.6
178.05121	6.8
179.06018	4.4
179.07738	3.2
194.08235	3.1
216.19231	4.2
220.06105	22.2
238.07112	7.0
264.05045	4.1
282.06039	100.0
282.08566	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	282.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42591	2.4
51.53188	2.5
61.98851	2.7
70.32082	2.4
71.01365	35.2
80.39434	2.6
82.74785	2.4
88.04020	31.4
91.01846	3.7
92.53380	2.8
101.97584	3.2
108.02145	32.7
114.01962	42.4
115.00343	64.1
123.04491	68.3
132.03009	79.4
150.05501	4.8
151.02754	6.7
166.05080	90.6
167.03485	46.2
178.05103	5.2
179.05876	3.1
220.06174	18.9
238.07205	13.0
264.05115	5.1
282.03104	3.7
282.06204	100.0
282.09180	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	282.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15762	1.6
57.09955	1.7
58.93002	1.7
62.61429	1.7
63.31179	1.6
66.67016	2.0
71.01371	32.0
81.15723	1.9
87.74795	1.8
88.04026	27.6
92.05603	2.0
104.08680	2.1
108.02167	29.6
109.23232	2.3
114.01949	40.1
115.00349	52.8
123.04501	60.9
132.03003	80.3
133.07135	2.2
150.05612	3.5
151.02681	11.0
151.03935	4.1
159.49586	2.0
166.03789	3.9
166.05081	74.8
167.03476	48.2
178.05095	8.9
179.05830	3.6
179.85062	2.3
192.06694	2.2
194.08197	2.9
196.20303	2.5
220.06126	17.2
238.07222	15.3
264.05051	4.7
282.03082	3.5
282.06198	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	281.2122
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
51.63263	2.5
63.24444	2.6
76.51982	2.7
90.57595	3.1
93.78275	3.3
143.38574	3.4
281.18271	3.6
281.21231	100.0
281.24823	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	281.2122
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
54.42799	0.7
74.78884	0.8
86.06400	0.8
86.17088	0.8
87.55342	0.8
104.70711	0.8
127.11275	16.7
141.12849	8.0
151.63161	1.1
235.20726	8.8
281.21228	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	281.1394
Annotation	Merrillianone
Peak:m/z	Relative Intensity
61.82949	7.8
69.03445	10.0
71.05052	6.1
81.03430	16.7
83.05013	95.9
92.19957	27.7
95.05025	8.2
97.02975	8.5
97.06576	14.5
102.20978	7.3
121.06564	8.0
123.08141	15.2
132.35388	7.6
149.09703	11.3
151.11263	35.5
163.11298	7.2
187.11137	8.8
205.12320	57.9
228.18533	8.0
249.11288	44.4
281.14078	100.0
281.21371	8.1
281.24777	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2121
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
54.17606	4.7
56.89843	4.1
59.01379	5.3
59.13999	4.2
90.06422	4.9
90.47169	4.9
99.72311	5.3
152.55090	5.5
158.93750	6.3
181.12312	21.7
189.81291	5.5
255.06410	6.0
263.20264	19.0
281.21210	100.0
281.24710	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	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22381	1.5
61.26485	1.7
65.52548	1.8
85.13571	1.8
85.68745	1.7
89.18259	1.8
234.42598	2.1
237.14964	100.0
239.13033	1.9
281.10721	4.4
281.13885	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0819
Annotation	Eutypoid B
Peak:m/z	Relative Intensity
54.44057	0.6
58.35257	0.6
63.24650	0.6
70.06674	0.7
93.03443	25.6
99.21788	0.8
100.38651	0.7
102.53107	0.7
102.64016	0.7
111.87206	0.8
131.65190	0.7
143.04979	6.3
163.98102	0.7
180.42140	1.0
193.06589	0.7
195.07983	1.0
201.14929	0.7
219.08163	3.4
222.06937	1.5
235.07632	4.5
236.08414	5.6
237.09204	100.0
239.12888	0.9
243.35707	0.6
263.07172	8.3
269.77661	0.7
281.08176	27.5
281.10632	1.1
281.24832	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	281.1181
Annotation	Ohobanin
Peak:m/z	Relative Intensity
51.28074	0.4
59.01365	0.6
64.56940	0.4
71.66749	0.6
77.11849	0.4
93.03433	0.9
106.04228	1.2
117.03481	0.7
121.06573	2.3
123.49596	0.5
125.71429	0.5
130.04210	2.1
151.07632	55.7
165.47183	0.5
175.07622	1.8
215.07683	0.6
222.06802	4.1
236.08385	7.9
253.12367	3.1
263.10767	0.7
268.07422	2.0
279.10321	4.4
280.11017	3.9
281.11826	100.0
281.24667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1392
Annotation	11,13-Dihydrosilostachyin
Peak:m/z	Relative Intensity
64.29128	0.6
65.83481	0.6
78.64650	0.8
79.77037	0.8
80.38011	0.7
96.95977	3.1
131.51849	0.7
153.52924	0.9
155.50581	0.8
163.11308	0.9
191.14395	36.3
193.15979	22.7
211.17050	3.0
219.13986	5.4
237.14954	100.0
281.13980	64.9
281.17227	1.1
281.24792	1.2
282.53354	0.8
296.18390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21315	0.4
67.20989	0.4
77.80836	0.4
100.53732	0.5
121.02940	0.6
132.01190	0.5
134.03728	32.2
137.02423	0.9
139.04047	0.6
149.06070	20.5
149.59795	0.5
178.02702	38.6
193.05055	100.0
209.41655	0.5
275.11700	0.5
281.06635	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	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85062	0.7
72.04928	0.7
78.88953	0.6
83.50858	0.7
84.84264	0.7
87.00858	1.5
90.35455	0.7
121.03066	0.7
121.03970	0.7
125.40295	0.7
134.03723	45.7
137.02409	3.6
139.03992	0.9
149.06052	24.8
178.02687	55.0
192.40271	0.9
193.05043	100.0
253.67918	0.8
281.06631	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	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00874	0.6
92.11242	0.2
99.47334	0.3
100.39407	0.3
105.94379	0.3
131.18344	0.3
132.38823	0.3
134.03728	28.9
136.05142	0.3
137.02490	2.1
149.06070	18.0
176.90172	0.3
178.02704	38.8
181.73451	0.3
193.05051	100.0
234.03218	0.3
257.28360	0.3
281.06610	2.0
281.10159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51842	1.6
57.04999	1.7
65.03960	2.8
67.01878	3.3
83.05021	11.9
84.38627	2.1
85.02962	2.7
86.23203	1.9
87.00864	37.3
93.03445	81.0
101.24334	1.8
109.02943	2.1
110.03709	12.9
111.00864	100.0
111.04494	23.4
130.18419	1.7
131.54308	1.7
135.03093	3.8
137.02434	61.1
137.03482	2.3
142.97502	4.2
144.56938	2.0
151.06094	9.1
155.02335	1.8
155.03510	13.2
174.98047	3.7
176.99522	2.9
192.99045	10.0
281.00668	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1191
Annotation	Mortivinacin C
Peak:m/z	Relative Intensity
51.29720	1.8
65.11692	2.3
65.76292	1.9
71.01374	17.0
71.01710	1.8
72.04542	21.1
74.84933	2.8
76.98463	1.9
82.63985	2.1
88.04034	71.7
114.99640	2.8
115.00361	35.5
117.82929	2.0
121.65849	2.4
131.48116	2.1
132.03062	3.0
148.76534	2.2
161.93213	2.0
164.10803	84.3
165.09225	34.7
190.12350	3.3
233.08484	2.1
236.12938	29.4
262.10950	4.9
280.11905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0687
Annotation	9-Riburonosyladenine
Peak:m/z	Relative Intensity
50.41547	0.4
63.50132	0.6
65.01440	2.6
71.01380	1.0
75.00845	2.2
87.00861	3.8
89.67377	0.6
96.77315	0.6
99.00829	0.8
106.25911	0.6
107.03635	2.3
133.01537	0.8
134.04720	100.0
145.01398	3.0
145.32605	0.6
150.04158	5.5
176.05769	1.4
204.05247	3.5
226.80118	0.6
280.06845	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	280.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02953	1.7
67.98093	1.3
70.48447	1.4
71.01372	17.6
82.29625	1.5
88.04027	88.3
99.00828	1.5
109.01676	7.6
115.00356	24.3
116.16226	1.6
119.04995	6.6
121.06609	11.0
132.03011	75.0
146.06113	3.2
147.04504	58.3
164.05765	3.4
164.07159	100.0
165.05551	19.8
236.09259	2.3
244.06067	2.8
258.30377	1.5
259.22769	1.5
262.07193	1.9
280.08279	52.1
287.09036	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	280.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
65.01447	1.0
70.04478	0.5
71.01380	1.1
71.27216	0.5
73.01341	0.5
75.00866	1.9
77.15717	0.6
77.96274	0.5
84.27230	0.5
87.00883	3.7
89.02450	0.7
92.19601	1.1
99.00839	2.4
107.03636	1.1
117.01873	0.5
134.04715	100.0
145.01424	2.5
150.04208	1.2
176.05821	0.7
204.05243	4.4
280.06860	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	279.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27320	1.9
55.45760	1.9
55.48218	1.8
68.03632	2.2
86.30584	2.4
118.44909	2.5
122.36342	2.1
155.68964	2.1
193.06781	2.6
200.94337	2.2
202.95467	2.3
235.10219	2.9
271.35217	2.3
279.23260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
60.97615	1.1
65.89570	1.0
66.06425	0.9
67.92765	1.0
72.64948	1.1
81.01408	1.1
87.45694	1.1
93.43871	1.0
94.70792	1.1
146.50493	1.2
150.51384	1.2
166.54172	1.1
181.91722	1.1
279.23300	100.0
283.84381	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.24001	1.0
53.67099	1.1
56.95830	0.9
61.86459	1.3
72.47071	1.2
96.43442	1.1
96.96018	1.3
101.96309	1.3
154.50871	1.3
202.41251	1.2
279.16458	2.7
279.23297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
54.28209	1.2
55.47268	1.7
55.84567	1.3
58.13210	1.6
77.96242	1.7
90.64314	1.5
137.96312	1.8
279.23279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
50.53788	1.4
57.00602	1.5
57.03441	3.5
59.01371	2.8
66.19109	1.8
69.95573	1.7
74.43213	1.6
75.33543	1.5
83.98169	2.0
113.09714	46.1
121.26208	1.8
127.63942	1.8
139.11253	8.2
153.09343	2.5
158.93054	1.8
165.49513	1.6
181.12338	2.3
220.72354	1.9
235.20619	8.0
261.18530	1.9
261.87610	1.8
279.19662	100.0
279.22845	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	279.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45556	5.0
51.31770	4.7
52.07633	6.6
72.26890	5.8
83.41621	5.4
101.81947	6.1
171.10312	11.2
177.59898	6.3
179.61281	5.1
190.92679	6.0
279.19720	100.0
279.22589	11.2
284.98398	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	279.1966
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
53.80369	1.4
54.39001	1.4
58.70933	1.3
59.01383	3.5
67.29158	1.8
99.08148	100.0
135.11745	2.6
158.90558	1.7
159.40639	1.7
179.10756	41.8
233.48434	1.7
279.19659	90.6
279.22876	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	279.1965
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
53.75607	1.8
59.01376	4.1
64.58642	2.0
76.43600	2.1
82.55665	2.3
94.56469	2.2
99.08147	87.7
109.91006	2.3
120.84431	2.7
135.10744	2.3
135.11768	4.4
142.72597	2.5
144.91093	2.6
164.60852	2.3
179.10796	32.5
195.96188	2.4
229.64340	2.7
279.19681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
53.32896	0.8
54.61619	0.8
56.52312	0.8
66.40519	1.1
67.00500	1.0
69.06208	0.9
69.78983	0.8
70.07207	0.9
70.24322	0.8
72.03883	1.0
90.38006	0.9
99.08085	1.1
109.31480	1.0
125.09694	5.2
139.11301	1.8
177.16481	6.9
222.32916	1.1
233.19084	2.5
279.19653	100.0
279.22794	3.3
292.45102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1964
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
51.15463	4.0
54.62056	4.4
82.41675	4.6
104.57308	5.2
132.98860	5.0
144.65828	5.6
145.48006	5.0
164.07500	5.7
181.12366	9.4
201.82695	5.2
202.57114	4.9
261.18408	10.4
279.16742	9.7
279.19672	100.0
279.22974	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	279.1083
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
53.98853	1.2
57.03444	57.7
59.01375	59.8
60.78056	1.1
62.44925	1.2
71.01366	7.1
85.02930	2.0
89.02408	10.3
89.79620	1.5
99.04501	100.0
101.02404	15.6
113.02359	4.4
117.05563	1.5
119.03461	2.1
125.02398	19.8
135.06581	12.2
161.04526	6.7
171.37518	1.5
177.07573	3.1
190.25725	1.5
217.10854	1.6
279.10904	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	279.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39599	2.0
56.71156	2.0
57.03450	80.8
59.01377	73.9
62.30667	2.0
68.57197	1.9
71.01382	9.1
73.02974	2.1
75.39957	2.3
80.85852	2.3
85.02918	3.2
87.00854	8.6
89.02428	13.9
92.19343	4.2
99.04505	100.0
101.02438	20.9
104.21494	2.4
117.05550	26.2
119.03522	2.5
125.02412	23.5
126.19169	2.5
126.20090	2.2
135.06619	15.7
143.03429	3.0
161.04552	10.5
204.01031	2.5
279.10852	60.6
279.23141	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	279.1084
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
50.54105	2.2
51.27866	1.9
51.66499	2.4
57.03450	70.0
59.01379	66.8
66.74727	2.0
70.62260	2.7
71.01378	12.5
71.05016	2.8
71.38720	2.4
73.02980	1.9
74.01669	2.4
77.87026	2.1
87.00853	3.3
88.04391	2.2
89.02431	19.9
91.01984	2.3
99.04510	100.0
101.02454	21.1
113.02393	3.3
117.05560	40.7
124.37569	2.6
125.02426	14.1
135.06621	13.1
138.54289	2.3
146.89813	4.0
158.65140	2.4
162.89287	3.6
193.25655	2.6
226.70653	2.3
279.10828	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.0
59.01365	0.9
59.51113	0.7
64.32547	0.8
70.27731	0.8
73.51096	0.7
84.04565	1.0
85.02926	1.1
87.00863	3.7
98.01878	0.7
111.00866	3.0
112.01185	1.7
120.99644	4.4
132.04054	1.2
139.07581	1.3
147.06453	0.8
155.06992	1.2
157.08676	100.0
167.38503	1.0
189.07431	1.0
189.41077	0.8
191.07472	63.7
194.23608	0.8
225.16650	0.9
261.06009	1.6
279.09082	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09182	1.4
52.02438	1.7
57.03446	38.4
58.10698	1.7
59.01374	60.9
61.93127	1.5
63.08596	1.5
68.45469	1.6
71.01363	13.3
71.05006	2.9
73.18109	1.8
85.02948	2.6
89.02431	20.6
90.37115	1.7
99.04501	48.2
101.02441	21.3
104.59333	1.9
113.02434	4.1
117.05557	66.3
119.03464	8.4
125.02415	4.3
135.06619	11.3
145.00635	2.0
188.63625	1.8
279.10846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73924	0.6
55.07135	0.7
55.47594	0.6
57.03439	1.2
57.78267	0.6
58.54534	0.6
59.01378	26.6
67.09692	0.8
71.01371	12.1
72.00892	2.7
73.22320	0.6
74.02441	1.3
74.81302	0.6
85.02950	1.5
89.02435	14.8
99.04493	11.8
99.99758	1.1
100.00396	24.4
100.04041	1.3
101.02455	7.9
113.02428	6.0
117.05546	7.3
118.05095	10.0
119.03450	4.3
134.04718	26.7
144.03006	7.5
160.02637	100.0
179.05635	1.1
224.68452	0.8
250.28719	0.7
277.40735	0.8
279.08392	3.1
279.10999	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	278.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82552	1.5
82.02969	6.7
84.04536	66.3
85.02934	24.8
100.04037	3.4
110.02477	3.4
121.02937	45.0
121.83731	1.8
121.90051	2.0
122.03711	9.6
128.03514	28.5
128.20396	2.0
134.03728	25.1
149.06064	8.7
184.24301	1.6
218.08192	9.4
219.09007	78.4
234.11414	9.3
278.07782	3.5
278.10339	100.0
278.13431	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	279.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76773	1.1
51.55278	0.9
52.15970	0.9
57.97727	1.3
59.01386	1.6
71.01369	19.7
71.54952	1.1
87.00851	2.5
88.04029	1.5
89.33589	1.3
92.05039	10.9
101.04281	9.0
105.03781	4.9
115.00340	27.6
117.04561	35.5
120.04521	2.8
126.04318	1.7
131.05316	2.2
132.03003	1.6
132.94264	1.6
135.05632	100.0
136.04031	1.7
145.04053	57.8
145.05219	2.0
147.04616	1.3
149.06396	22.6
163.05107	33.5
163.08760	11.6
164.03526	8.0
164.07117	2.1
173.07185	10.1
175.03992	1.3
189.06648	2.3
207.07735	9.6
217.06229	4.4
231.44980	1.1
233.05624	2.7
261.05206	1.6
261.08435	1.3
279.06244	40.4
279.09048	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	278.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.2
66.93343	2.0
73.87133	1.7
82.02956	9.4
84.04530	61.3
85.02934	30.5
87.00846	4.0
89.79950	1.6
100.04050	2.3
102.93826	1.9
110.02405	5.7
111.00870	20.4
121.02953	50.1
122.03725	9.0
128.03510	38.1
131.03749	2.4
134.03725	23.8
135.04529	2.2
146.06061	2.4
149.06064	10.8
154.06615	3.5
155.78551	1.7
172.07626	2.7
188.07166	2.3
206.08051	2.1
216.75093	2.1
218.08177	11.7
219.09001	80.4
229.08690	2.1
234.11287	9.7
250.10870	3.6
260.05624	2.8
268.65585	1.7
277.80640	1.8
278.06763	18.0
278.10275	100.0
278.13403	3.3
288.04321	1.7
293.94046	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	278.0669
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
56.39066	2.0
57.03443	32.5
67.81549	2.2
68.13148	2.2
69.29005	2.1
85.02939	34.8
87.00864	59.8
92.05021	3.0
111.00863	100.0
120.04531	4.9
128.05054	2.8
129.01955	5.0
131.03748	33.9
136.18939	2.5
144.04564	9.5
146.06065	20.7
154.06628	23.5
156.04477	2.9
157.05305	15.2
172.07649	34.0
174.05602	3.0
188.07153	20.4
198.05565	15.5
218.04633	9.7
260.05646	32.3
278.06665	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0667
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
57.03436	27.0
59.01367	2.5
59.74036	2.4
68.32844	2.6
85.02928	48.7
87.00858	82.7
92.05024	4.4
108.18475	2.4
111.00860	100.0
129.01941	20.9
130.06589	3.9
131.03757	44.4
144.04550	2.7
144.08165	3.1
146.06110	34.2
154.06596	59.6
156.04555	5.4
157.05315	16.3
165.43491	2.6
172.07669	69.6
188.07103	29.7
198.05602	19.6
218.04549	14.3
242.04568	9.5
260.05634	55.2
278.06696	87.5
281.61258	2.4
297.57266	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09600	2.2
55.98326	1.7
59.01384	1.9
71.68809	1.8
78.83154	2.2
105.31329	2.0
132.85159	1.9
143.62262	1.9
151.85275	2.1
152.50838	1.9
236.50926	2.4
255.06754	2.1
258.47809	2.3
277.21704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11492	2.8
54.64853	2.7
55.30671	2.8
55.34373	2.2
75.49732	3.1
79.95732	3.0
84.66167	3.0
109.15896	3.0
111.46693	3.3
120.72454	2.8
152.35164	3.0
200.08380	3.4
231.43085	3.0
241.05540	4.0
246.56375	3.5
272.63327	3.1
277.18326	17.1
277.21667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.55496	0.9
60.23132	1.0
64.40534	0.9
71.74729	1.0
78.44543	1.0
179.80986	1.1
261.51089	1.3
277.21719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0668
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
57.03450	26.4
85.02933	52.3
87.00864	100.0
92.05018	3.8
92.19952	6.1
111.00867	96.9
120.71451	3.1
126.90121	3.3
129.01936	16.1
131.03757	61.7
144.04517	7.2
146.06113	40.9
154.06592	57.9
156.04521	6.2
157.05247	22.6
172.07680	61.4
188.07193	31.1
198.05565	21.1
216.06567	4.5
218.04594	14.5
242.04568	5.9
260.05624	51.1
278.06668	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1803
Annotation	(+)-Ro 09-1544
Peak:m/z	Relative Intensity
50.50963	2.7
59.12058	3.0
63.68543	3.0
80.96492	5.2
80.99379	2.9
92.19974	6.3
97.89655	2.9
104.11170	3.4
117.06605	3.4
125.35202	3.5
134.67583	3.6
165.12852	37.5
205.16008	6.2
233.19009	23.7
238.27980	3.3
259.17044	6.0
265.65747	3.3
277.14944	7.7
277.18039	100.0
294.13144	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	277.1809
Annotation	Litsealactone B
Peak:m/z	Relative Intensity
54.47263	1.6
55.41491	1.4
61.26266	1.6
97.06579	100.0
112.13275	1.9
179.10750	21.5
197.11839	21.6
225.74376	2.0
277.18069	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	277.1808
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
56.19093	1.3
56.82724	1.1
62.82767	1.3
77.93486	1.2
78.19049	1.4
80.41093	1.3
83.05045	1.4
85.10814	1.5
97.56792	1.6
112.00167	1.5
112.92700	1.6
148.08932	2.5
155.09093	1.4
163.11311	2.5
165.12820	34.9
205.15932	16.8
219.44102	1.4
233.15488	14.2
233.19067	23.6
234.90091	1.4
246.54971	1.5
259.16965	8.9
277.14923	4.8
277.18085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1443
Annotation	Tournefolin A
Peak:m/z	Relative Intensity
53.57098	12.8
55.66000	15.5
56.43707	14.6
56.43999	15.0
65.90529	14.7
74.45583	14.8
79.57869	16.5
92.01841	14.6
106.67094	16.0
121.02992	19.3
127.11263	79.8
134.03709	95.3
164.92287	17.5
277.14401	100.0
277.17996	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	277.1443
Annotation	Tournefolin A
Peak:m/z	Relative Intensity
52.99376	0.5
53.48733	0.4
58.20374	0.6
59.71481	0.6
93.51602	0.7
105.03443	1.4
109.20564	0.5
111.16707	0.7
133.02945	32.5
133.70930	0.5
134.03706	0.7
135.84856	0.6
149.02495	0.7
160.01678	0.7
177.01927	18.6
199.02583	0.6
234.12686	1.2
262.12091	100.0
272.37308	0.6
277.14450	49.6
277.21661	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	277.1806
Annotation	Litsealactone B
Peak:m/z	Relative Intensity
53.85329	15.9
57.03469	12.9
61.49088	14.1
62.33339	13.2
64.46956	13.8
87.00648	18.1
95.89353	14.4
97.06591	100.0
109.20408	15.3
159.36224	17.1
219.17352	19.2
277.18250	70.6
277.21680	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71429	1.3
51.99430	1.6
56.11420	1.3
59.01374	100.0
70.99889	1.7
71.01363	9.0
73.02929	4.0
77.89417	1.9
85.02930	3.4
92.20000	3.5
101.02404	11.9
104.15740	1.5
135.04518	22.5
141.09210	2.7
143.07071	2.1
144.40251	1.6
157.08710	2.1
161.04520	1.8
162.17422	1.6
172.24568	1.8
176.10370	1.8
202.60660	1.7
203.09137	2.9
231.90926	1.9
235.11890	12.1
235.43962	2.0
268.11484	1.9
277.12823	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	277.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28094	1.3
59.01377	100.0
68.03818	1.1
69.52515	1.0
70.29191	1.2
71.01370	4.9
73.02946	5.4
75.00888	1.2
85.02937	5.4
101.02414	11.5
102.20743	1.1
113.02449	4.7
131.07115	1.6
148.01294	1.2
156.51300	1.3
161.04555	1.7
182.01749	1.1
185.05702	1.2
189.09489	1.4
196.62744	1.2
231.02429	1.2
235.11861	16.2
277.12991	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	277.1226
Annotation	Pantetheine
Peak:m/z	Relative Intensity
51.93112	0.9
65.50534	0.9
70.02973	8.0
71.05016	12.8
84.94594	1.1
87.05595	7.5
99.04491	2.2
110.29250	1.2
115.05137	1.6
116.07162	2.1
122.38638	1.2
129.05559	1.9
130.03313	8.3
134.41437	1.2
146.08215	100.0
147.05962	4.8
217.11937	19.2
270.30478	1.2
277.12308	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79784	1.3
85.02936	8.4
92.19437	1.9
129.01932	1.3
146.06099	100.0
146.33211	1.4
147.04503	15.5
170.09735	7.1
181.05365	1.5
214.08702	11.8
215.95085	2.2
216.95825	1.7
232.09776	44.0
252.06155	1.4
275.97318	21.9
276.08798	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33570	2.5
54.54548	2.6
55.68280	3.0
59.01375	100.0
102.63214	3.4
117.92776	3.2
153.28969	3.2
175.21410	3.4
191.10161	3.5
202.02733	24.1
217.05023	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16257	0.4
59.01411	2.1
59.23027	0.5
71.01450	0.5
71.77258	0.5
78.25950	0.5
78.95915	0.8
92.19372	0.5
121.71635	0.5
129.05602	0.6
133.31381	0.5
135.04510	1.1
145.02928	2.2
163.03998	100.0
175.43796	0.5
181.54385	0.6
215.12828	1.1
259.11789	2.3
259.26117	0.5
276.98755	0.9
277.11948	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	275.2018
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
51.57807	2.3
56.92627	2.5
59.01375	6.2
59.50921	2.5
71.74734	2.6
83.94455	2.5
84.94481	2.2
88.24564	2.4
90.27288	3.0
96.13705	2.4
116.92818	27.2
130.33078	2.8
131.38388	3.1
136.78780	2.8
185.63301	2.2
231.21159	10.3
275.20154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39987	2.0
57.33644	2.2
58.71143	1.8
59.18403	1.8
72.46189	2.3
83.25803	2.4
85.02929	3.5
97.84711	2.1
116.24453	2.0
127.24249	2.0
127.25272	2.1
146.06099	100.0
147.04489	18.5
170.09721	5.3
174.23277	2.8
214.08774	10.2
215.95195	2.8
232.09747	39.2
275.97208	9.8
276.08752	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	276.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02322	2.6
53.41111	2.5
54.02612	2.6
60.76436	2.2
62.61362	2.7
68.22334	2.2
68.98357	2.3
73.54448	2.5
78.27461	2.4
85.02943	15.4
87.54657	2.6
92.19423	3.6
101.83051	2.8
111.00833	3.8
129.01897	4.8
146.06105	100.0
146.07191	5.1
147.04480	21.9
170.09741	4.2
196.07642	2.9
214.08780	18.4
218.81880	2.9
226.02788	2.7
232.09799	46.8
276.08752	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2016
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
52.18118	1.9
53.37047	2.0
59.01384	8.2
62.81638	1.7
116.92825	16.0
117.64026	2.4
137.52405	2.5
217.00972	2.4
224.15459	2.0
231.21165	8.6
275.20178	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	275.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73211	0.4
59.01367	2.2
66.35047	0.4
71.01334	0.4
71.05844	0.4
72.99332	0.6
100.28732	0.5
119.05006	100.0
125.09715	2.3
139.05977	0.5
146.45122	0.4
153.09196	0.8
171.10301	3.2
173.08151	1.0
185.08246	0.6
191.11909	0.5
197.08182	0.7
215.09308	4.6
233.10306	2.7
233.12909	15.6
257.10214	0.6
275.11441	3.7
275.15164	19.2
275.38791	0.5
276.19827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.5
59.31180	4.7
59.31541	4.4
60.31810	4.8
67.67377	4.9
73.63673	4.6
79.95731	44.8
80.96552	5.9
85.89400	4.6
103.64767	5.1
116.92846	78.8
125.09642	8.5
131.62686	5.8
143.26860	4.8
172.88580	6.8
187.95166	5.0
192.95824	6.1
206.70964	4.7
214.89656	6.9
231.21086	6.9
275.16855	39.5
275.20169	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	275.1289
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
55.86194	0.6
56.17263	0.7
59.07188	0.7
59.95765	0.7
69.27810	0.8
71.84666	0.8
90.39131	0.9
100.16725	0.8
105.03452	0.9
116.92841	8.0
119.35747	0.6
133.02936	35.5
134.03726	11.5
137.02431	1.7
148.05301	5.9
149.02396	1.6
149.06070	1.6
160.01622	1.2
172.84984	0.8
175.03983	1.5
177.01949	17.3
178.02713	11.0
179.80225	0.7
193.05057	7.2
200.19211	0.8
214.89616	1.3
260.10535	100.0
275.12894	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1136
Annotation	Clandonensine
Peak:m/z	Relative Intensity
51.36101	1.7
55.03106	2.1
59.01375	47.3
60.42588	1.8
71.01366	2.8
74.13338	1.9
83.11519	2.3
84.19897	2.4
87.00881	2.1
108.48695	2.7
111.08147	5.4
113.97268	2.2
125.08843	3.9
125.09705	99.3
127.07683	2.6
153.09216	16.4
155.07106	2.7
171.10263	100.0
173.08189	23.5
197.08246	15.6
215.09274	93.1
233.08246	3.1
233.10336	60.9
275.11380	51.6
290.53906	2.2
293.12183	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	275.1136
Annotation	Clandonensine
Peak:m/z	Relative Intensity
50.02902	1.8
57.03464	2.9
59.01368	20.7
71.01373	4.0
71.05003	2.2
72.99307	2.6
73.84506	2.1
80.01775	1.9
83.05014	2.6
85.02917	2.8
87.00851	3.2
97.06557	4.5
101.02410	13.6
101.04266	2.6
108.46172	2.1
109.06577	2.4
113.06092	3.6
115.03986	17.6
115.84165	2.0
119.03462	4.5
123.03087	2.2
125.06077	3.0
125.09707	36.7
125.82206	2.6
128.79300	2.2
131.03487	4.7
131.04501	2.1
133.10251	5.0
143.07100	4.4
145.03265	10.4
151.11281	4.6
153.09172	9.8
155.07051	2.4
169.08795	2.8
171.10251	26.6
187.06035	15.9
195.10268	11.2
213.11246	4.9
215.09300	39.6
233.10364	24.9
257.10303	26.1
275.11374	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	275.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93806	0.7
58.02966	0.7
59.01361	1.5
72.82763	0.8
73.02931	3.4
74.02467	1.6
83.05003	3.9
85.02943	1.3
87.00858	100.0
89.02410	6.5
90.02747	1.8
93.03438	17.8
93.64864	0.8
99.04524	1.2
100.04040	1.2
101.02451	1.6
103.42971	0.8
104.03510	1.1
111.03802	0.9
111.04505	15.0
125.09742	1.2
125.95264	0.8
128.03523	5.1
131.60738	0.8
137.02432	9.0
143.03500	0.8
146.08174	1.0
155.03503	4.7
165.01924	1.0
173.00941	0.8
173.04555	15.1
215.09296	0.8
218.42725	0.9
224.36122	0.8
243.05074	3.5
274.13748	0.8
275.07617	4.3
275.09979	3.2
275.12387	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	274.1409
Annotation	H-Glu-Lys-OH
Peak:m/z	Relative Intensity
53.08761	0.9
56.51833	0.9
71.01360	2.4
71.48771	0.9
74.02488	1.1
82.04093	2.4
85.02948	2.1
87.00845	1.1
87.04496	5.6
88.04023	6.8
89.02419	4.1
95.80721	1.0
97.06579	4.8
104.29365	1.0
112.05157	2.1
115.00324	1.9
122.07222	19.9
145.08684	6.2
150.06752	1.3
155.07138	1.3
156.10196	1.2
158.08237	8.8
159.06633	2.1
173.08115	5.2
174.11319	9.3
175.09715	2.0
186.11414	3.9
191.09264	13.4
192.11536	1.4
199.10880	1.4
210.12506	4.0
228.13574	2.0
231.13420	7.7
274.06741	1.8
274.09637	13.7
274.14093	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	274.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62489	0.8
58.02962	4.8
60.30874	1.0
71.01364	6.6
87.00852	1.6
89.02425	100.0
91.42001	1.1
97.15701	1.0
99.00856	1.2
100.04028	8.4
101.02402	1.3
112.04010	4.7
124.03989	1.4
136.03998	1.4
142.05045	4.0
154.05122	2.3
170.64351	1.0
202.07231	5.7
232.08266	8.3
274.09305	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
58.02959	5.8
59.01372	4.8
66.94329	0.8
71.01372	7.2
76.00403	0.9
83.01312	1.1
83.47247	1.0
84.04538	15.0
85.02941	4.8
87.00855	1.2
89.02430	100.0
92.19812	1.1
94.02969	1.1
100.04023	9.0
101.02446	2.0
103.02155	1.1
104.96937	1.1
112.04035	2.1
120.97796	1.0
129.01927	4.6
138.05556	1.4
140.14621	1.0
142.05029	1.7
144.03336	14.5
151.53123	1.2
154.05045	1.4
164.12875	1.0
170.11841	4.0
186.11359	5.1
202.07176	5.3
214.10789	14.6
228.05432	2.1
232.08293	7.0
232.11914	9.6
244.12935	1.5
256.04953	6.8
274.06143	6.1
274.09311	96.4
276.35934	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	273.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.8
71.01378	9.6
71.05004	5.7
73.02914	4.7
83.05029	5.3
91.33533	2.3
94.96082	2.5
101.06017	4.4
106.08061	2.4
111.04519	2.5
113.06097	3.8
115.03996	17.2
127.11303	5.8
129.05540	5.4
129.09146	3.7
131.54437	2.2
139.11278	9.7
145.05014	4.2
145.16885	2.5
147.41985	2.3
155.10764	12.3
169.08717	3.9
175.14911	5.9
182.60077	2.4
193.15910	4.3
231.08720	5.6
234.99178	2.7
241.25763	2.5
255.15993	12.1
273.07938	3.1
273.17087	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	274.0932
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
57.95304	1.2
59.01384	1.3
66.37367	1.3
69.37057	1.3
71.01376	22.4
72.90868	1.2
88.04023	60.5
88.97639	1.4
89.02429	9.8
95.05010	2.9
97.06573	65.4
100.16660	1.3
114.09235	12.3
115.00338	24.7
115.07620	3.0
127.84480	1.5
132.02998	7.8
140.07152	7.2
158.08205	100.0
159.06602	34.7
168.10233	2.6
170.00128	2.3
170.09030	1.7
195.10152	1.4
210.00986	1.3
212.09177	1.5
230.10342	8.1
232.09055	2.5
256.08435	1.7
264.11191	1.4
272.99493	1.3
274.09332	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77550	7.8
55.67944	7.6
109.47647	8.0
165.12828	9.0
169.08502	11.3
172.25464	8.3
181.12242	12.5
208.30223	8.5
209.11816	14.2
273.07584	13.7
273.17105	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	273.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23298	1.9
53.49814	1.9
59.01376	30.9
76.50271	2.5
78.44431	2.3
83.70956	2.1
86.75165	2.7
92.19346	3.2
108.83080	2.4
125.09724	2.7
176.01079	5.9
211.17030	44.0
213.14961	100.0
245.08150	5.2
255.15886	3.7
273.07385	7.6
273.10297	2.9
273.17117	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63697	0.8
59.01371	11.3
71.04996	1.1
107.65830	1.0
115.04052	1.0
123.08212	1.3
125.09720	1.7
151.07521	1.2
151.11275	13.1
169.08676	2.3
169.12331	100.0
177.58879	1.0
185.11803	18.4
194.58876	1.0
211.13367	1.3
213.07875	1.2
213.11333	29.6
231.08617	4.2
231.12369	76.2
273.10120	1.9
273.13443	19.9
273.16397	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	273.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26166	0.4
54.22912	0.5
59.01369	1.0
79.13120	0.5
79.49656	0.6
82.01749	0.5
91.53842	0.6
97.02917	0.6
97.06577	0.8
98.24136	0.7
118.10869	0.6
123.08138	0.8
125.09691	1.3
140.81329	0.6
151.07677	1.2
151.11298	1.1
163.26320	0.6
169.08652	3.5
169.12328	100.0
183.13866	4.1
187.09618	0.8
197.09998	0.6
197.11819	16.6
202.80977	0.6
209.73480	0.6
211.13419	0.9
213.07648	2.4
229.14439	3.2
231.08612	2.4
241.10812	58.7
273.09628	1.1
273.13513	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	273.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79385	1.4
57.03441	1.8
59.01376	51.7
63.27047	1.8
68.96841	1.4
71.01376	2.2
71.05004	1.4
72.99303	7.5
73.02941	3.6
75.00863	3.6
77.89391	1.5
78.67612	1.3
83.05001	8.0
85.06604	1.7
86.04276	1.5
93.04647	1.5
101.06094	1.8
109.06585	1.8
111.04501	7.0
111.08105	2.0
113.65524	1.6
123.08134	11.4
125.09704	34.6
127.03977	1.6
133.10217	1.6
141.09224	7.3
149.09712	3.6
151.07614	3.5
151.11209	11.4
152.62451	1.5
157.08615	2.3
159.51677	1.5
167.10709	3.7
169.08684	44.9
177.78650	1.6
187.09766	7.2
195.10223	8.2
211.09764	3.8
213.07700	14.0
213.11276	13.8
228.57124	1.9
229.10747	16.0
231.08879	18.4
231.12363	100.0
273.09799	12.5
273.13412	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	273.1343
Annotation	oscr#7
Peak:m/z	Relative Intensity
52.68453	0.8
52.98029	0.9
54.25033	1.0
57.03226	1.1
57.03448	17.8
58.37250	0.9
59.01366	7.3
59.29239	0.9
71.03548	1.0
75.45143	1.0
76.58195	0.9
84.65155	0.9
104.02641	1.0
110.70200	1.0
112.24329	1.0
123.08128	7.1
125.09652	1.8
136.28879	1.0
138.20030	1.2
139.11273	79.4
151.07608	2.3
165.09123	1.5
165.12842	19.6
167.10776	5.7
169.08640	2.6
169.12347	7.9
180.43033	1.0
183.10187	7.6
211.13309	1.9
213.07755	4.1
227.40356	1.1
229.14458	10.9
231.08646	4.8
241.10794	5.0
255.12451	11.3
273.10336	4.0
273.13431	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	273.098
Annotation	Xylomollin
Peak:m/z	Relative Intensity
57.03453	3.6
59.01390	22.1
115.53097	1.7
123.08147	16.9
125.09715	35.6
139.11261	12.7
141.09201	3.0
149.09758	3.1
151.07625	23.5
160.45576	1.8
167.10732	16.7
169.08711	35.1
183.10208	4.5
187.09799	2.4
195.06676	2.6
195.91168	1.9
208.94580	1.7
211.09798	3.1
213.07713	41.1
230.18622	1.9
231.08768	9.9
255.08694	6.7
273.09839	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	273.0981
Annotation	Xylomollin
Peak:m/z	Relative Intensity
57.03451	6.2
59.01377	36.3
63.19051	2.8
67.05515	3.9
67.44453	2.7
69.03426	3.9
71.01384	4.1
71.05014	23.2
72.99290	4.9
83.05018	5.0
94.99973	3.1
95.05029	3.7
96.40797	3.6
104.74455	2.7
106.15009	2.7
111.08134	5.7
115.03996	21.5
119.05003	2.9
123.08158	40.1
125.09695	43.4
141.09244	30.0
151.07639	28.4
167.07118	3.5
169.08701	100.0
171.57228	3.1
185.08093	3.3
187.09708	29.1
213.07695	54.1
231.08719	66.0
273.09814	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	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	14.8
58.88560	1.3
59.01376	57.1
63.98507	1.3
65.07236	1.4
71.05006	1.4
72.99291	2.9
73.02940	5.6
73.19755	1.3
74.08256	1.4
74.93459	1.2
75.00870	18.7
79.52746	1.6
111.08092	2.1
115.04010	2.3
123.08134	6.8
125.09702	100.0
151.07626	8.4
155.07213	1.9
159.08087	2.2
169.08678	72.5
186.73914	1.6
187.09727	6.9
213.07698	11.0
231.08754	32.4
231.12312	2.4
267.10577	1.5
273.10007	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	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.8
59.01372	63.1
61.64937	1.9
71.01312	2.2
71.05004	4.2
72.99282	5.1
74.15800	2.5
75.00865	20.1
78.71650	2.6
97.06554	11.9
115.03990	3.5
123.08142	17.1
125.09704	86.3
130.06914	2.6
141.09203	12.0
151.07640	16.2
169.08682	100.0
187.09781	22.6
213.07698	41.3
213.11261	3.6
231.08727	47.9
231.12242	4.4
273.09799	34.4
294.91245	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	273.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15744	2.4
55.01882	2.4
59.01375	13.2
71.05012	100.0
76.43799	2.2
77.50997	2.5
78.20449	2.3
78.95892	22.0
81.34690	2.2
83.05011	16.7
85.02950	4.1
96.96941	9.7
97.02929	15.1
97.06577	3.4
107.63797	2.4
110.98507	21.9
111.08199	2.3
113.06070	2.4
115.03987	76.5
115.04692	2.8
123.04481	14.9
123.08157	33.1
125.09682	15.5
145.09749	2.8
151.07649	31.0
167.07126	5.6
169.08687	63.0
185.08147	3.1
213.07692	38.9
231.08704	93.6
241.01103	4.1
273.03848	23.9
273.09915	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0381
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
78.95895	10.3
87.00874	2.5
88.33456	0.3
89.77774	0.3
96.31611	0.3
96.95973	0.7
96.96937	0.8
110.98509	14.1
111.00845	0.5
125.00931	17.9
126.98864	16.6
130.76759	0.4
141.97623	0.5
157.03540	0.7
168.99922	100.0
177.77144	0.3
183.01447	3.7
185.03123	0.6
196.28621	0.3
201.63126	0.3
211.00960	1.9
229.02174	0.4
236.98941	0.7
241.01187	5.8
255.00002	0.8
273.03815	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	272.114
Annotation	(R)-glutaconylcarnitine
Peak:m/z	Relative Intensity
61.33491	1.5
68.19846	1.7
71.01375	9.3
72.06482	1.7
72.93766	1.9
77.38571	2.0
80.73158	1.8
88.04026	97.2
96.99291	7.6
104.78719	1.8
114.01976	1.7
115.00355	26.2
130.04663	1.8
132.03033	20.9
149.23883	1.8
156.10287	36.3
157.08672	19.6
160.47237	1.7
228.12384	19.0
249.81891	1.8
254.10307	2.1
272.11420	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	273.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	1.6
87.00861	1.0
104.59317	0.7
110.98495	1.2
125.00926	18.3
126.98869	15.0
168.99919	100.0
183.01501	3.7
200.35561	0.7
211.00974	1.1
229.02008	0.9
254.99603	1.3
273.03687	1.6
275.48380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.00521	1.1
51.29097	0.9
53.53567	1.2
53.93254	1.2
54.12052	1.2
56.41922	1.0
62.20535	1.2
64.82250	1.1
73.63471	1.3
105.82215	1.3
114.93405	1.5
223.20682	2.2
225.22235	88.0
271.22784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
81.28135	1.0
90.92181	1.0
103.27310	0.9
103.51331	0.9
211.20653	2.0
211.82173	1.1
225.22215	2.1
253.21791	2.1
271.22784	100.0
280.10141	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	271.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35982	0.5
78.80516	0.5
90.92424	0.6
99.08157	1.2
106.84171	0.5
107.02186	0.6
110.68482	0.6
155.14406	1.2
216.44756	0.6
225.22202	1.9
253.21730	3.2
271.22794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
52.66424	5.8
54.65174	5.6
57.61625	5.7
61.87988	5.2
63.79105	5.7
65.08462	6.3
66.00781	6.7
68.26128	5.8
85.06158	7.0
102.25838	6.1
121.22918	6.5
146.86357	6.2
156.67296	6.4
196.13435	6.1
206.62175	7.2
225.22194	35.7
253.21727	9.5
271.22781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.53345	1.7
52.88628	1.8
71.05012	14.6
73.60297	2.2
77.68613	2.3
81.35310	2.1
86.77017	2.4
100.06583	2.4
100.35555	2.6
104.81918	2.3
136.05316	2.2
136.39587	2.2
183.17522	13.1
197.19083	11.4
225.22224	31.1
269.21338	3.5
271.22797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65017	1.1
59.04861	1.0
59.63777	1.0
73.84052	1.4
83.01237	1.1
83.05032	2.2
85.06571	8.4
86.65524	1.0
92.36093	1.1
96.96076	1.1
116.36013	1.2
169.15930	12.0
193.46739	1.3
197.74779	1.3
225.22234	20.3
235.20692	1.9
253.21826	1.5
271.22787	100.0
278.37241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
60.91019	0.7
63.63525	0.6
92.19370	0.8
185.62560	0.8
193.04066	0.6
202.15323	0.6
222.95375	0.7
225.22275	6.3
253.21609	1.0
271.22781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.68093	1.2
51.15427	1.1
58.34928	1.2
59.01377	100.0
62.14049	1.5
70.56290	1.4
74.54671	1.4
78.08553	1.4
112.66314	1.4
163.62367	1.4
177.61317	1.7
203.44066	1.5
264.02768	1.7
271.22791	72.0
277.60559	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.66014	1.0
51.99090	1.1
91.17096	1.2
93.40697	1.1
94.09878	1.3
103.14399	1.3
113.09713	1.7
133.74234	1.4
164.83936	1.3
165.77023	1.2
169.02246	1.3
215.64326	1.4
225.22234	6.7
233.85925	1.2
271.22797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1915
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
57.12153	0.6
71.04977	1.0
82.64291	0.7
83.05042	0.7
83.87619	0.6
85.06578	3.9
85.40686	0.6
88.59503	0.7
95.89458	0.7
96.45134	0.6
111.08148	10.5
113.09692	7.1
123.08138	0.8
141.09201	0.7
141.12831	1.6
201.50327	0.7
203.99783	0.6
209.19054	1.7
225.18530	1.2
232.34167	0.7
238.07285	0.7
246.53009	0.7
251.16501	3.1
251.85269	0.7
253.18094	2.3
271.19162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1914
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
72.78416	0.7
79.61434	0.8
97.06612	0.9
98.89420	0.8
99.08146	9.5
115.07647	1.8
125.09700	1.0
127.11208	0.8
155.10760	4.9
167.10770	1.2
171.10242	42.8
185.11797	6.8
201.11362	5.5
235.16985	8.0
253.18153	8.5
269.17441	1.1
271.19150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
78.50358	1.9
82.69265	2.2
83.04999	2.9
87.55943	2.3
99.08169	4.0
113.09714	9.0
127.11156	2.7
144.09596	2.6
155.10780	3.5
171.10281	24.3
208.75104	2.1
227.20352	2.5
235.16794	3.2
240.83110	2.3
253.18095	2.7
271.10367	4.3
271.19125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1914
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
56.73178	0.8
99.08125	1.7
104.97962	1.0
125.09742	1.3
127.11287	1.6
139.85524	1.0
155.10828	1.6
171.10274	17.6
200.10526	1.3
220.02509	1.0
253.18109	5.4
269.17520	4.4
271.19153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.8
64.30215	1.0
71.01378	4.7
72.99304	4.6
76.95644	0.9
85.00719	0.8
85.49133	1.0
99.00873	16.0
100.01660	9.6
116.07845	1.0
123.04494	2.0
139.11276	32.9
149.13306	4.2
165.12843	5.6
167.14342	2.2
192.03159	1.0
193.12268	7.4
209.56514	0.9
211.13402	23.1
229.14439	100.0
271.15469	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	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60332	0.5
54.59595	0.5
59.01377	100.0
63.21412	0.6
72.99303	1.5
99.00849	0.8
106.03807	0.6
139.11281	2.8
146.41550	0.7
149.13358	4.6
167.10735	3.4
173.52660	0.6
185.11867	3.7
193.12326	11.6
207.33549	0.8
211.13345	7.0
229.14412	4.7
244.62839	0.6
255.81433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17525	0.8
58.34328	0.8
71.77756	1.0
73.78973	0.9
76.66055	1.0
99.00855	4.5
104.19936	1.1
128.50621	1.1
153.12831	5.4
177.12904	1.3
181.15947	1.2
193.22633	1.0
195.13759	1.4
201.65726	1.1
209.15442	25.8
209.70753	1.1
225.15083	1.3
227.16499	17.5
235.13402	48.0
253.14453	53.9
271.15515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42716	1.6
57.03425	7.6
59.01373	9.8
73.73272	1.6
93.03435	2.3
97.06537	2.5
123.08121	19.5
123.65340	1.8
125.09721	16.6
133.06570	2.1
141.09213	2.1
151.07614	28.6
151.42278	2.4
165.12790	7.7
169.08705	21.3
169.99258	2.0
195.06638	3.7
213.07678	100.0
227.12675	2.2
253.10725	9.0
271.06204	3.8
271.11804	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	271.1188
Annotation	Tensyuic acid D
Peak:m/z	Relative Intensity
50.92068	2.3
52.66750	2.8
57.03431	12.2
59.01376	3.8
60.06229	2.4
69.03482	2.6
69.54299	3.1
70.09261	2.5
73.02935	4.0
84.04538	33.0
85.02947	18.7
92.47470	2.8
93.03460	2.9
93.77976	2.7
95.01381	4.5
97.02940	28.7
97.06588	3.6
99.04494	4.6
99.08145	15.7
123.08115	3.8
124.01656	11.8
125.09698	12.7
128.03578	3.7
130.22513	2.9
142.57338	2.9
146.08202	2.8
146.84718	2.8
151.11273	18.9
153.09195	63.0
167.10785	33.1
177.09250	28.3
185.11803	3.4
195.08473	3.6
195.10257	100.0
209.10719	33.6
211.09837	3.8
227.11818	11.0
229.10698	12.0
238.48064	3.3
243.11301	3.2
271.11456	76.2
271.15491	13.8
272.55960	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	271.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43127	2.3
59.01362	3.2
67.54293	2.7
82.02965	3.9
84.04533	67.9
85.02951	31.2
96.67040	2.8
128.03503	11.3
140.74841	2.7
142.06593	13.5
167.10716	14.7
167.37810	2.9
174.53058	2.5
207.09209	3.1
209.10837	82.0
227.11824	25.7
271.10910	100.0
271.15408	3.1
284.94772	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	271.1089
Annotation	Limazepine C
Peak:m/z	Relative Intensity
52.46944	1.1
57.31488	1.4
58.02957	2.9
59.01351	3.6
67.16304	1.2
68.99787	3.1
70.89799	1.3
82.02950	5.9
83.01357	6.6
84.04540	52.3
85.02952	24.3
93.03390	2.6
95.65050	1.5
111.08103	2.5
114.98170	1.6
119.05009	63.1
123.04500	21.2
127.03970	2.8
128.03491	11.4
134.03650	2.0
142.06517	7.3
154.74026	1.8
156.08130	3.3
159.08072	2.1
165.05460	2.5
183.09381	2.1
201.09215	37.9
207.09177	3.2
209.10834	61.5
211.07520	6.1
227.11874	20.2
229.08542	10.1
232.49200	1.7
238.06276	1.7
241.08687	5.4
243.11139	2.5
253.08620	15.1
253.14308	1.7
271.10010	100.0
271.15167	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	271.1086
Annotation	Limazepine C
Peak:m/z	Relative Intensity
58.02966	2.5
60.38295	1.3
60.51005	1.0
82.02974	5.3
83.96043	1.2
84.04534	66.0
85.02945	25.6
87.85944	1.1
96.01411	1.3
100.04015	1.3
128.03523	16.9
142.06609	7.4
156.08144	2.3
159.09221	2.1
181.07692	2.7
183.09120	1.2
207.09322	5.4
209.10831	70.9
227.11844	23.3
243.11378	7.7
271.10880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98208	1.9
51.82938	1.6
57.03459	1.7
58.02964	2.0
59.01384	2.0
70.72129	2.3
73.02954	3.1
82.02986	3.9
83.66886	1.9
84.04539	61.6
85.02942	24.9
97.02959	3.8
99.08138	3.0
104.34425	2.3
114.01526	1.9
124.01651	2.2
128.03488	13.6
142.06590	3.0
151.11255	3.6
153.09210	17.8
167.10815	18.2
171.09232	3.2
177.09233	8.6
181.07759	2.8
182.54007	2.0
195.10312	14.4
200.75217	2.3
207.09242	8.9
209.10838	62.3
227.11884	20.4
229.10820	8.2
253.14497	3.1
271.10956	100.0
271.15033	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	271.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30937	1.2
52.12758	1.3
56.56054	1.5
59.01359	2.4
75.24408	1.6
75.86082	1.5
87.00845	2.9
119.93977	1.8
134.06105	2.4
150.05605	2.2
154.12997	1.8
185.08420	2.0
199.05017	2.6
200.10857	15.7
209.64140	1.9
213.06628	3.2
214.07463	33.9
226.40346	2.0
227.04567	12.2
227.08235	2.2
228.10507	3.0
241.06120	3.8
242.06972	33.0
243.11360	70.6
271.08301	3.7
271.10864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15808	2.9
61.69849	2.9
62.87324	2.9
64.82598	3.1
87.00851	100.0
111.00925	4.7
120.46600	4.0
130.99854	68.6
132.00615	17.4
165.05528	6.0
238.04773	50.3
271.04434	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	271.0611
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.75282	1.4
63.02391	3.0
63.10386	1.5
65.00315	8.9
73.17403	1.7
83.01379	9.8
93.03449	14.1
107.01376	29.2
115.79370	2.1
119.05005	73.1
125.02454	2.2
151.00356	94.8
165.01921	7.0
165.10225	1.5
169.01390	3.5
171.99748	1.8
177.01945	11.3
227.16641	2.6
235.13458	11.2
253.14455	12.5
271.06116	100.0
271.15591	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0822
Annotation	Arbutin
Peak:m/z	Relative Intensity
59.01369	1.7
68.93138	0.4
71.01376	6.2
71.43375	0.5
73.02932	2.6
79.34735	0.4
83.01385	0.5
85.02966	3.3
89.02399	0.5
101.02438	5.2
107.18787	0.5
108.02164	100.0
109.02938	14.1
113.02437	3.4
120.99651	1.6
121.02958	1.0
123.00868	0.6
123.04517	2.5
125.03574	3.0
133.02950	1.1
151.03973	4.9
159.02969	0.8
160.77768	0.4
161.04553	5.3
161.05705	0.6
163.04002	1.8
165.45494	0.4
201.19206	0.4
271.08316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80372	0.7
52.64935	0.6
57.03443	0.7
59.56618	0.7
63.08119	0.6
72.35050	0.7
84.01771	0.7
111.08128	4.3
127.11273	5.1
166.91061	1.0
225.22186	7.4
226.93246	1.8
251.20309	0.8
269.21228	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	270.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76176	2.4
55.26414	2.6
58.04091	4.9
59.54181	2.9
61.54300	2.5
64.08620	3.0
66.91483	2.6
81.53099	3.4
82.04101	5.7
88.04041	5.7
89.22776	2.8
93.73723	3.0
99.08141	13.3
111.08099	3.6
114.37421	2.8
122.09713	12.1
123.08127	44.4
125.06071	44.4
129.05551	19.4
132.03018	4.0
140.10780	15.2
143.07111	34.8
148.07664	11.4
151.03964	13.5
164.11906	16.0
166.08678	38.9
167.07051	5.5
169.05049	22.7
179.38481	3.4
187.06038	21.3
190.09729	4.0
200.75220	3.1
208.10973	25.8
210.07645	4.3
211.06044	3.7
226.11967	6.8
234.08900	15.2
252.09850	51.4
270.06284	4.6
270.10916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32098	1.0
98.65323	1.0
100.30066	1.1
105.07245	1.1
105.86940	1.1
114.76273	1.0
135.28563	1.3
181.84818	1.1
194.81250	1.1
198.00449	1.1
222.18549	1.1
223.20575	1.2
251.20273	1.5
269.21222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
51.93768	1.3
53.94422	1.2
57.03435	3.1
57.53905	1.5
59.01378	25.5
64.85169	1.4
65.15737	1.3
69.03045	1.4
70.47467	1.4
71.01351	2.1
71.19110	1.4
197.19093	19.1
223.20674	32.8
225.22430	1.6
251.20287	2.0
255.97398	1.5
269.21222	100.0
269.24506	4.1
279.35355	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96728	0.7
64.12981	0.6
64.64320	0.5
96.53406	0.6
99.08127	0.8
105.76754	0.6
106.60686	0.6
113.98539	0.6
146.01317	0.6
167.14412	1.4
225.22247	2.6
269.21240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.2
64.55346	2.2
66.68317	1.9
68.36581	2.0
76.69065	1.8
97.06584	13.7
106.36743	2.4
113.09693	3.9
151.23711	1.9
166.91026	12.3
178.72609	2.1
184.92058	2.9
215.49110	2.1
219.81660	2.2
225.22226	11.1
226.93182	9.3
251.20102	9.7
269.21225	100.0
269.24719	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	269.2122
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
71.05011	19.2
83.05000	1.9
111.45181	1.1
164.05269	1.2
190.20547	1.0
191.30058	1.0
223.20656	5.9
225.22250	41.3
251.20174	7.0
269.21228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
53.82502	1.8
59.26306	1.9
73.12097	1.9
73.55653	2.1
78.71188	2.0
99.21678	2.0
157.08658	14.3
166.91008	5.2
226.93124	8.7
251.20132	18.0
255.73726	2.0
269.21262	100.0
269.24570	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	269.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73677	1.0
59.79827	1.0
75.63882	1.0
82.35352	1.2
92.19975	1.3
139.11375	1.3
269.21225	100.0
269.24442	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26424	0.8
75.78129	0.8
87.04607	1.0
134.95703	1.1
170.86041	1.1
174.67635	1.0
194.51117	1.0
223.20671	62.5
251.20215	2.1
269.21231	100.0
276.67429	1.1
279.64224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77020	0.8
58.08721	0.6
64.90321	0.6
76.22169	0.8
132.24159	0.8
143.82144	0.8
185.11816	9.3
197.15511	1.2
227.91870	0.8
233.19008	1.1
238.29436	0.9
238.31920	0.8
251.20174	21.1
269.21228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.28345	2.6
67.20480	2.2
114.82458	2.3
140.33368	2.2
166.91069	5.8
171.96992	2.5
182.94084	2.8
184.91924	3.4
217.45071	2.3
226.93117	9.6
269.21237	100.0
269.24585	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	269.1758
Annotation	Benghalensitriol
Peak:m/z	Relative Intensity
52.16636	5.2
59.01366	10.0
73.02935	71.5
79.59713	5.6
81.32307	4.3
89.23084	4.5
98.03717	11.2
101.06097	39.3
101.06679	4.6
107.03809	4.7
115.07616	74.4
116.34360	5.4
126.03213	7.0
132.80785	5.5
137.09718	10.0
139.11299	42.8
153.09201	45.1
155.10797	68.2
165.09196	11.3
166.10028	9.1
182.09502	9.6
183.10252	44.1
183.13850	45.4
195.13998	17.3
201.11987	5.6
211.16945	6.0
223.17033	72.8
239.16455	9.2
269.17609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62803	1.1
56.27443	0.9
83.46315	0.9
90.86777	1.1
101.59846	1.1
103.54324	1.0
105.88228	1.0
110.78947	1.3
141.13524	1.2
221.67686	1.1
225.22235	1.3
251.20181	4.8
256.32465	1.2
261.65149	1.1
269.21216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.162
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	14.8
70.06615	1.1
73.02941	0.8
78.93891	0.7
81.73199	0.8
82.04108	0.9
90.88829	0.7
92.00948	0.9
96.04536	6.2
112.07678	7.0
112.08774	0.9
129.10326	25.0
135.01227	0.7
140.40645	0.7
141.10335	12.5
167.11853	3.2
170.10939	0.8
171.12469	3.4
183.15004	20.5
185.12909	1.1
209.12976	8.6
227.14014	100.0
245.36037	0.9
269.16208	14.3
276.04562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1758
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
55.57784	3.0
67.64856	2.8
70.61756	2.6
89.80136	2.7
97.67485	2.9
101.06035	2.8
111.08141	6.1
197.11899	3.8
207.17531	11.2
219.79939	2.9
251.16507	100.0
269.14749	3.3
269.17584	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54783	0.7
55.59755	0.7
58.02973	0.9
82.06611	9.6
114.05589	100.0
126.09211	10.3
154.08731	41.7
225.16098	13.1
233.29857	0.9
269.08142	3.3
269.15088	28.1
271.02570	0.8
278.51862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	2.4
73.02937	64.3
74.20959	1.1
82.04096	55.3
82.27103	0.9
94.04021	1.1
98.05823	0.9
100.36729	0.9
108.46065	1.0
112.03783	1.1
129.10318	4.0
149.09142	1.1
154.09805	2.2
175.16721	1.1
183.15010	2.2
195.12514	18.5
227.14001	1.3
269.16199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79446	1.4
57.69760	1.3
59.01367	7.3
59.59356	1.4
60.01506	1.2
64.30207	1.4
71.04984	3.5
83.05005	6.8
91.16152	1.5
99.00873	8.1
110.03719	3.9
123.08131	3.2
125.77415	1.6
159.88075	1.5
207.13834	14.1
225.14972	6.8
233.11784	45.1
241.89212	1.6
246.83931	1.8
251.12866	53.0
254.70903	1.7
269.13937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30894	1.9
51.15983	1.9
55.01927	2.0
59.01355	4.6
65.21117	1.9
71.05007	5.1
80.82612	2.1
82.45300	2.8
99.00877	9.7
110.03712	11.8
111.87206	2.5
171.43214	2.2
189.12677	2.9
204.04979	2.7
207.13870	20.9
225.14987	11.0
233.11844	49.5
251.12848	60.2
269.13959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
57.03445	5.8
61.16246	1.2
66.21725	1.1
72.99308	1.6
107.05029	1.7
109.06574	4.8
111.04497	2.4
123.08149	76.0
137.09697	1.7
139.56247	1.2
151.11183	1.4
153.12868	6.2
163.11310	10.2
179.10785	10.4
183.05640	2.2
197.07150	1.3
207.10236	11.8
225.11337	100.0
269.07440	2.6
269.10333	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1183
Annotation	Conferol B
Peak:m/z	Relative Intensity
68.44409	0.4
73.12325	0.4
76.89748	0.5
93.03444	7.5
124.35265	0.5
130.11461	0.5
138.19547	0.5
175.07654	0.7
209.06081	1.1
210.06856	7.5
223.07600	2.9
224.08429	5.5
224.93054	0.5
234.66840	0.5
269.11832	100.0
283.61044	0.6
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
50.64032	1.0
51.52721	1.0
55.74981	1.1
58.16916	1.1
59.01367	3.0
66.98842	1.1
71.01404	1.2
80.20420	1.2
80.99039	1.4
88.31657	1.1
100.41508	1.2
107.37318	1.2
155.88298	1.4
166.91002	1.7
207.13847	2.1
220.18854	1.3
225.14961	100.0
227.12819	5.4
251.12834	6.0
258.47699	1.3
269.04498	7.2
269.13916	28.9
269.17181	3.2
269.21262	1.4
269.24808	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0819
Annotation	2'-O-Methylisoliquiritigenin
Peak:m/z	Relative Intensity
53.49392	2.2
55.09685	2.5
60.63842	1.9
62.81161	2.3
70.28956	2.0
77.33881	2.0
81.03455	4.5
93.03416	3.8
105.03446	31.8
118.18734	2.5
119.05009	98.4
123.94044	2.0
132.07236	2.2
145.02965	3.4
145.06525	3.4
149.02435	73.8
149.05911	2.6
163.04034	4.9
167.03532	3.3
175.03992	9.6
183.08142	31.6
225.09195	21.5
225.55835	2.1
227.07117	14.6
251.07021	8.5
256.00461	2.2
269.08182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	Pterolinus B
Peak:m/z	Relative Intensity
50.41777	0.7
52.75544	0.7
59.01380	0.6
60.85879	0.7
93.03460	1.3
93.46844	0.8
105.03472	0.9
119.05017	12.9
142.26236	0.8
143.23990	0.8
149.02461	4.3
163.04007	1.6
175.04015	3.5
181.06583	0.9
182.07359	4.2
183.08165	4.6
185.06068	4.5
209.06081	4.7
225.05595	1.0
225.09224	3.8
227.07152	41.4
253.05055	11.3
269.08197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	3,4
Peak:m/z	Relative Intensity
77.60881	1.2
82.06441	1.1
82.25740	1.0
90.78717	1.1
92.19340	1.4
93.03440	1.6
105.03441	2.3
119.05013	31.6
123.08125	5.5
149.02419	12.8
163.03992	24.8
175.04015	1.9
183.08177	5.0
187.90282	1.2
195.04774	1.2
195.46074	1.2
225.09312	3.9
225.11333	6.3
227.07101	9.5
269.08176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33709	0.6
60.74023	0.6
61.31809	0.7
84.10532	0.7
85.73942	0.8
90.01448	0.7
107.01354	1.2
109.02918	4.5
119.01312	0.7
121.02919	1.0
136.01608	1.1
137.02409	3.2
140.79994	0.8
164.01105	1.4
167.03461	22.4
181.01407	30.0
192.00616	3.8
193.01407	5.3
195.02980	100.0
199.02545	6.1
209.00914	5.0
213.03969	1.0
223.02502	10.4
237.00385	14.3
241.03513	29.1
251.02130	1.0
269.03021	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	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
57.92495	0.5
63.02388	0.8
65.00294	0.5
65.56608	0.4
107.01346	1.1
112.02274	0.4
117.03418	4.2
140.61952	0.4
149.02429	2.7
151.00365	2.6
159.04492	2.0
161.02608	0.6
181.06479	0.7
183.04541	1.0
191.76570	0.5
194.05421	0.4
197.06049	1.0
201.05542	0.9
225.05528	3.1
227.13043	0.6
237.00435	0.5
269.04559	100.0
279.54657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0666
Annotation	phenyl glucuronide
Peak:m/z	Relative Intensity
53.11458	1.4
58.06563	1.8
59.01362	3.0
66.62498	1.4
73.02927	1.8
73.52600	1.5
75.78191	1.4
80.23053	1.6
87.00856	9.0
89.28469	1.6
93.49671	1.9
114.03957	1.4
116.40060	1.7
136.01631	7.1
137.06062	32.7
148.05290	38.4
149.02493	2.4
163.07697	2.7
164.04803	2.1
179.07115	26.1
180.07938	2.9
190.56696	1.6
192.04289	9.9
192.07970	2.2
195.02975	3.6
207.06627	37.7
207.10185	2.5
209.04550	58.1
216.08888	1.7
225.07677	2.9
225.11374	2.6
239.08707	1.6
269.06680	100.0
269.09756	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	267.1966
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
61.70906	1.0
68.45797	0.9
89.11342	1.0
92.19372	2.2
95.81511	0.9
96.96000	1.0
99.08172	1.6
135.68875	1.2
162.85449	1.1
223.20712	4.6
267.19675	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	268.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44444	1.3
57.97559	8.1
76.97011	2.5
79.95728	55.2
80.96510	17.1
87.04375	1.4
93.03427	5.8
108.96015	8.9
126.12918	15.6
140.93216	36.3
172.13445	14.7
192.60617	1.5
195.98616	1.7
210.99800	3.4
225.01373	7.1
236.09612	100.0
247.88654	1.5
250.09581	17.7
268.06845	85.8
268.10571	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	267.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
63.83267	2.0
89.42245	2.3
98.01398	2.0
113.09697	15.8
219.26877	2.3
267.19641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1965
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
54.34510	0.6
71.56827	0.8
72.62366	0.7
78.66228	0.8
104.44685	0.8
139.11278	4.1
192.31491	0.8
223.20566	1.7
267.19659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	Teucrein
Peak:m/z	Relative Intensity
56.33570	0.6
59.01378	55.2
60.71193	0.7
62.19427	0.8
67.02342	0.8
69.03443	5.4
71.01361	4.9
90.64487	0.9
95.05018	6.0
97.02938	1.4
107.04983	1.3
109.06567	19.0
120.55436	0.8
135.08173	1.5
136.04037	4.6
137.04355	4.8
145.10287	1.0
163.11273	25.6
179.10802	1.7
207.10242	15.9
223.13303	1.0
225.11328	100.0
265.31244	1.1
267.09567	0.8
267.12286	5.9
267.16141	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	267.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85245	6.5
57.54480	5.0
59.01398	9.5
62.47459	4.8
62.76633	5.0
83.04951	6.1
92.19959	5.9
105.28052	5.4
108.21994	5.6
191.14481	6.9
215.50224	5.6
235.13380	100.0
267.15878	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
127.11273	11.6
144.88196	2.0
189.25899	2.2
223.20628	3.7
267.19650	100.0
287.30212	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	267.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90688	0.8
59.18480	0.9
61.50359	1.0
67.69970	0.9
81.06800	0.9
138.17296	1.2
161.04671	0.9
179.14418	1.5
179.75713	1.0
203.53337	1.0
223.20561	1.6
258.88815	0.9
267.19669	100.0
275.77917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63676	0.6
70.12260	0.5
74.01937	0.6
84.03448	0.6
94.08586	0.9
107.71467	0.6
111.00599	0.6
111.08169	8.4
127.11295	2.7
137.09703	4.6
139.11449	0.6
147.71971	0.6
155.10762	0.7
185.15527	0.8
223.20645	4.0
267.19666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1026
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.77509	1.2
56.09321	1.4
56.66831	1.4
63.58731	1.3
76.00076	1.4
84.77952	1.6
93.03444	47.3
93.04338	1.8
101.45058	1.4
103.49850	1.5
115.05535	13.3
119.05011	30.6
143.05002	17.3
156.05840	1.8
204.35106	1.5
204.73155	1.5
207.08104	3.2
223.07571	2.3
237.09161	12.5
248.08406	13.9
249.09187	100.0
267.10254	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1027
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
52.72139	2.8
133.06598	3.2
161.06050	4.3
222.06818	10.6
267.10263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	Pectinolide C
Peak:m/z	Relative Intensity
65.08059	1.2
69.19589	1.4
76.19523	1.4
87.43627	1.4
111.07744	1.3
128.27554	1.5
208.34300	1.5
223.13383	100.0
267.12335	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	267.1238
Annotation	G3
Peak:m/z	Relative Intensity
59.01371	7.7
59.40828	1.5
64.13298	1.8
69.03446	2.3
71.05004	9.7
83.05020	7.1
97.06567	6.2
104.87582	1.4
115.13882	1.4
121.75591	1.3
151.11256	3.0
155.23697	1.5
161.73715	1.5
163.22607	1.6
176.96989	1.4
179.14371	10.1
201.62840	1.4
223.13396	86.4
249.11203	1.9
267.12384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05173	0.3
66.56207	0.3
66.70124	0.4
75.72487	0.4
84.14636	0.4
92.19939	0.5
93.03429	0.5
98.30077	0.4
100.00621	0.5
105.03404	1.0
107.55806	0.4
112.74227	0.4
116.59198	0.4
117.03430	3.7
143.68047	0.5
147.04478	2.1
149.02422	2.7
176.97115	0.4
190.17618	0.4
222.06947	0.6
223.07565	0.9
225.05562	0.5
228.66083	0.4
267.06616	100.0
276.23209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44769	1.0
57.95775	1.1
63.76958	1.2
93.03441	100.0
130.04237	2.0
137.02443	9.5
195.08134	6.7
203.21231	1.2
221.06021	9.4
222.06853	7.0
223.07625	48.3
228.28157	1.3
267.06625	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0662
Annotation	Dorstegin
Peak:m/z	Relative Intensity
63.21344	2.8
64.76867	3.4
70.63378	2.7
85.02857	2.7
91.58998	3.1
93.03439	100.0
96.95973	5.5
98.27051	3.5
117.03448	4.3
123.32398	2.7
137.02419	7.3
156.67053	2.9
176.14423	3.4
187.13425	15.0
192.99725	4.9
195.08064	11.6
221.06209	3.9
222.06859	5.2
223.07654	58.7
223.90837	5.0
267.03671	4.9
267.06598	98.1
267.09103	13.9
267.12238	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	266.1034
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
60.38052	1.6
69.79688	1.9
82.02974	38.7
83.01346	2.0
83.78542	1.7
85.02964	15.7
86.06097	10.5
89.55478	1.6
98.02460	22.4
100.04038	55.6
101.02446	7.6
108.05672	1.9
112.04038	7.5
114.05577	8.1
119.05012	17.0
124.03996	3.7
125.17461	2.1
126.05669	1.9
128.07230	2.0
129.01923	21.9
142.05066	9.7
189.32288	1.9
218.08203	10.3
220.09781	100.0
222.12442	3.9
239.01718	1.8
248.00310	2.0
248.06937	2.4
248.09297	52.6
266.10349	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1034
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
53.78490	1.7
66.72466	1.4
72.04566	1.4
82.02976	47.7
84.04544	2.4
85.02943	16.2
87.00137	1.5
89.60213	1.5
98.02422	1.7
100.04036	51.1
101.02441	12.9
107.04994	2.0
115.00381	2.7
119.05013	43.7
122.55330	1.6
128.03528	100.0
129.01929	55.7
135.04524	6.7
136.07666	61.8
137.50262	1.7
146.04594	29.2
150.05595	7.5
162.65706	1.6
175.92462	1.6
220.09792	29.2
248.09280	65.6
266.07346	6.0
266.10345	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2172
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
54.64620	0.7
57.53923	0.7
59.01378	1.0
65.60094	0.6
68.05163	0.6
69.21786	0.6
95.98513	0.6
99.74609	0.7
106.25634	0.9
123.08125	3.9
129.09221	3.1
141.09233	1.3
221.15468	6.5
222.18881	0.7
227.22221	0.7
238.79994	0.7
244.90140	0.7
247.17174	0.8
265.21729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0894
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.71630	0.2
92.02537	0.3
107.03593	1.9
112.83666	0.2
127.00822	0.2
127.01820	0.2
134.04716	100.0
149.98610	0.2
160.40097	0.2
248.28375	0.2
266.08984	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	265.2172
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.68060	1.0
71.14894	1.2
74.90616	1.3
82.82189	1.2
85.97768	1.2
93.48980	1.4
118.15612	1.1
123.81081	1.2
125.02440	1.2
135.75496	1.2
265.21719	100.0
275.97040	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	265.1808
Annotation	Epijuvabione
Peak:m/z	Relative Intensity
51.46408	1.6
57.90453	2.0
59.01376	5.1
60.60619	1.6
62.17501	1.7
78.95898	3.9
96.95989	11.1
99.08144	100.0
108.72796	2.1
121.10219	4.7
165.09189	23.0
176.07739	2.1
265.14941	11.1
265.18036	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1808
Annotation	Epijuvabione
Peak:m/z	Relative Intensity
53.00400	2.0
59.01384	2.9
65.39606	2.5
65.70479	1.9
70.90183	2.4
78.95908	10.5
80.73243	2.1
96.96004	22.4
99.08150	100.0
106.41702	2.4
121.10215	5.5
165.09209	31.9
265.14819	25.7
265.18066	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1807
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
53.24802	0.6
57.03452	2.6
59.01369	2.3
60.81205	0.5
72.99079	0.5
78.95892	1.2
83.05039	0.8
96.95991	83.6
97.06562	0.9
107.08582	0.7
113.09713	23.2
139.11281	6.6
149.09731	0.9
161.02319	0.5
163.11311	0.8
172.84842	0.6
182.69173	0.6
220.90079	0.8
221.19096	5.5
224.19972	0.6
265.14774	100.0
265.18036	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1808
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
50.07542	7.3
51.08539	8.0
51.91675	7.5
53.00691	7.6
55.79942	7.1
68.73491	7.3
78.95892	21.1
78.98796	9.5
97.58524	8.6
113.75603	8.5
150.86903	8.7
166.31017	8.3
167.10817	19.7
230.28757	9.2
265.15494	10.2
265.18066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62670	1.1
56.59277	0.9
57.03447	76.3
59.01376	56.8
71.01361	5.9
73.47925	1.1
77.67476	1.2
88.55222	1.2
89.02416	6.0
89.71792	1.4
99.04507	100.0
99.85038	1.1
101.02416	15.2
119.03406	1.3
121.05034	11.1
125.02425	13.5
135.03113	2.3
161.04556	2.6
163.06099	2.3
180.28935	1.4
229.28214	1.4
265.09338	13.6
279.22858	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	265.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99595	0.5
59.01364	0.4
72.70984	0.6
87.00865	1.2
112.88590	0.5
119.05025	0.5
129.09209	1.0
135.04826	0.6
135.32780	0.5
141.52538	0.5
163.33226	0.5
163.75473	0.5
177.09523	100.0
183.10236	0.8
193.05022	0.6
265.11133	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73815	1.6
56.70675	1.4
57.03186	3.0
57.03448	66.0
59.01377	64.8
67.71639	1.4
68.36940	1.6
71.01357	3.0
79.63499	1.8
82.02766	1.9
83.00106	1.5
85.02976	1.9
89.02426	4.3
99.04512	100.0
101.02427	17.4
121.05030	7.8
125.02406	9.2
135.04826	3.4
143.03513	2.1
161.04631	2.5
163.06064	2.2
203.09229	2.1
265.09308	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	264.124
Annotation	Unknow
Peak:m/z	Relative Intensity
105.03426	1.1
133.02940	30.6
134.03745	1.0
149.02408	0.6
177.01927	18.1
178.02678	1.0
216.93378	0.7
248.11195	0.8
249.10051	100.0
250.97884	0.8
264.12387	48.5
275.35663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04851	0.5
65.03123	0.5
69.57094	0.5
105.03426	1.2
133.02943	25.2
134.03755	1.0
143.66661	0.6
177.01915	16.2
178.02647	0.9
221.10580	0.8
229.59721	0.6
234.07840	0.8
249.10056	100.0
264.12408	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	264.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20705	1.6
59.95419	1.6
64.38659	1.6
70.41633	1.5
71.01368	18.8
73.13813	1.4
77.16074	1.5
97.26855	1.6
105.07095	3.1
115.00350	34.0
141.93457	2.1
146.14725	1.7
148.07677	100.0
149.06062	24.2
176.10803	12.7
202.08728	12.4
220.09747	39.5
246.07738	2.4
264.08762	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0876
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
57.20705	1.6
59.95419	1.6
64.38659	1.6
70.41633	1.5
71.01368	18.8
73.13813	1.4
77.16074	1.5
97.26855	1.6
105.07095	3.1
115.00350	34.0
141.93457	2.1
146.14725	1.7
148.07677	100.0
149.06062	24.2
176.10803	12.7
202.08728	12.4
220.09747	39.5
246.07738	2.4
264.08762	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0875
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
56.29015	1.0
63.48159	1.2
71.01365	11.4
88.04024	100.0
90.43786	1.2
94.49484	1.1
96.99294	1.3
102.75646	1.0
115.00368	20.9
131.04958	4.0
132.02995	8.8
148.07666	81.9
149.06064	42.5
179.68993	1.3
202.08862	1.7
220.09782	22.3
246.07684	2.5
264.08768	57.4
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	Nigerloxin
Peak:m/z	Relative Intensity
51.64453	1.2
54.28853	1.5
68.17603	1.5
72.04546	19.5
82.02978	100.0
95.83795	1.6
98.02461	39.3
100.04039	61.8
119.05013	50.6
126.19402	1.4
128.03282	1.9
136.07603	1.7
173.68285	1.8
192.10300	11.0
218.08197	11.4
220.09818	25.1
236.09386	1.5
236.96571	1.6
264.08798	72.1
264.11523	3.1
264.58920	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
55.83861	1.1
57.93517	1.1
59.01373	1.4
63.54842	1.1
64.93180	1.4
71.89706	1.5
72.92885	1.3
73.10957	1.2
76.66109	1.2
89.47761	1.3
92.50336	1.2
97.68598	1.2
100.90750	1.4
198.28191	1.3
217.19841	1.6
245.09764	1.3
250.32207	1.4
263.20148	100.0
270.99271	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	264.0737
Annotation	5'-Dehydroadenosine
Peak:m/z	Relative Intensity
57.03437	0.4
59.01707	0.3
64.23662	0.3
66.15154	0.3
68.34807	0.3
71.01366	0.3
75.00851	0.3
80.99963	0.3
85.02956	0.6
107.03625	1.3
129.01936	3.3
134.04716	100.0
148.92760	0.3
151.52733	0.3
151.54002	0.3
195.35738	0.3
264.04825	0.5
264.07410	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	263.1651
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
50.19556	2.0
50.48957	1.9
51.02004	1.8
53.50854	1.9
59.01378	2.6
89.14771	2.2
92.98952	2.2
97.06575	100.0
116.91394	2.0
117.39490	2.0
121.10223	3.8
143.46608	2.6
143.75740	2.9
154.56273	2.3
165.09203	12.5
183.10281	11.2
244.04686	2.2
246.45479	2.3
263.16556	33.3
273.58188	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	263.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93775	1.1
60.51156	1.1
66.74518	1.1
73.88661	1.1
81.43118	1.1
82.26875	1.0
87.35397	1.3
92.87749	1.1
101.72661	1.4
134.03732	5.4
148.05319	6.1
161.02397	2.6
161.06021	4.6
161.63832	1.5
162.03175	4.4
175.02673	1.6
176.03540	2.2
190.05118	2.3
204.06552	9.2
205.11082	1.7
205.14854	1.1
247.08290	2.1
247.10878	81.5
248.11646	100.0
263.14014	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21316	0.6
59.01371	0.6
61.51064	0.5
65.93713	0.5
68.33936	0.5
69.49649	0.6
76.25719	0.6
85.34696	0.5
85.55099	0.6
91.14291	0.7
133.02980	1.2
134.03723	4.1
135.04538	1.2
137.53745	0.6
148.05292	5.6
149.06053	0.9
161.02394	1.0
161.06056	3.2
162.03198	3.2
176.03493	1.3
190.05070	6.0
204.06721	8.5
205.11095	3.2
218.08142	0.9
247.10858	74.7
248.11638	100.0
259.73557	0.7
263.09482	3.2
263.13983	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91710	1.0
70.93764	0.8
92.19976	1.3
92.81130	0.9
104.99950	1.0
108.00567	1.0
133.02939	1.3
134.03737	6.4
135.04547	1.3
135.61780	0.9
148.05287	6.3
161.06050	3.7
161.65509	1.0
162.03258	1.2
175.02602	1.0
190.05070	3.8
204.06630	10.3
205.11026	3.7
247.08286	1.8
247.10867	76.2
248.11653	100.0
252.43375	0.9
263.14005	66.1
266.92480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68546	1.4
57.03440	3.5
59.01379	100.0
60.58911	1.4
71.01366	7.3
73.02943	1.7
75.00860	2.2
75.68697	1.4
82.20227	1.4
83.01395	1.8
85.02932	6.9
89.02459	1.9
99.04471	5.8
101.02428	15.8
113.02406	2.1
127.07581	2.9
153.17430	1.7
161.04622	5.2
175.04253	2.6
175.51408	1.6
184.95364	1.7
221.10260	13.9
234.35426	1.7
263.05896	10.5
263.11206	9.2
263.14093	7.8
283.78363	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	263.1288
Annotation	Populene F
Peak:m/z	Relative Intensity
57.78288	2.5
63.70482	2.4
76.83996	2.8
82.08058	3.0
84.11916	3.3
97.02915	4.5
108.05795	3.1
111.04496	12.4
113.06023	11.9
123.08148	5.6
125.06085	29.1
136.05290	13.6
137.06084	6.1
137.09676	3.5
138.06871	23.0
139.07654	27.4
148.05310	5.3
151.07637	63.0
152.04774	5.7
152.08430	29.9
152.42955	2.8
153.09204	29.3
159.11761	5.4
161.09770	6.4
162.74774	2.7
163.07652	7.3
173.08000	3.5
186.10474	3.4
201.07603	3.4
201.12842	37.9
203.05486	4.1
203.10793	12.9
204.11539	82.4
205.65440	2.9
219.13889	100.0
247.11032	6.8
248.11592	6.7
263.07300	11.4
263.12961	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	263.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74920	0.4
58.99603	0.9
59.01376	5.1
63.06117	0.3
65.69715	0.3
73.01181	0.4
75.13736	0.3
87.00854	8.4
102.98589	1.3
103.75948	0.4
108.65809	0.4
118.45271	0.4
120.77802	0.4
124.43255	0.4
133.06915	100.0
150.64586	0.5
165.33418	0.6
175.07922	0.5
203.07468	5.6
209.28441	0.4
221.08499	9.5
247.10931	1.9
248.11612	3.2
263.09668	3.1
263.13907	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	262.1084
Annotation	Heitziamide B
Peak:m/z	Relative Intensity
52.54290	1.2
74.87003	1.1
105.04298	1.4
111.66840	1.3
116.19820	1.2
125.09715	1.5
134.03679	1.2
146.06129	2.7
156.08157	2.1
161.02411	8.5
172.07631	6.9
188.07138	2.4
188.09976	1.4
200.07169	2.6
202.05153	11.1
202.08669	1.8
202.65080	1.2
218.08295	1.5
230.08206	100.0
262.07239	9.1
262.10809	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50537	0.4
65.73622	0.4
69.66887	0.3
71.01860	0.4
81.48190	0.3
83.99046	0.4
93.04070	0.4
100.27876	0.4
121.42802	0.4
125.09668	0.4
126.10020	0.8
133.02972	0.6
134.03731	2.5
135.04520	0.6
142.25928	0.4
156.08186	2.4
161.02411	6.4
162.03212	2.2
172.07687	2.3
180.80847	0.4
188.07193	5.1
188.10083	1.0
200.07111	1.5
202.05103	8.9
202.08746	2.5
217.77658	0.4
218.08197	0.8
230.08215	100.0
262.07394	3.6
262.10834	73.7
266.29901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05016	1.2
82.51485	1.2
87.00879	1.5
91.34200	1.3
95.08530	1.5
116.05043	3.2
128.05035	1.4
130.06590	7.2
156.08186	36.8
157.05316	1.9
158.06102	7.8
172.07663	52.1
174.05547	2.9
181.75151	1.5
200.07184	33.5
202.05106	81.9
218.08206	7.8
244.06177	2.1
262.07190	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	262.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97062	1.2
57.03445	2.7
58.02965	7.9
63.49830	1.7
84.04530	2.6
85.02941	3.6
87.00857	18.3
88.50829	1.6
103.91989	2.5
104.92802	1.8
110.02438	3.0
112.04024	29.3
112.07684	3.2
113.59284	1.5
114.05598	2.3
128.07146	1.9
130.08688	17.0
137.66582	1.5
145.96744	3.8
146.04543	2.1
146.50006	1.5
182.08215	100.0
184.06140	9.7
199.94133	1.9
202.07188	13.1
226.07152	2.2
262.09341	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.072
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
50.04370	1.6
62.03127	1.7
80.96994	2.2
87.00860	3.3
89.78197	1.7
116.05061	2.2
128.05080	3.0
130.06609	8.5
151.69298	2.1
154.06607	2.3
156.08168	33.3
158.06126	7.4
172.07654	48.9
174.05621	2.4
200.07191	39.3
202.05101	83.0
218.08235	5.0
261.39020	2.1
262.07184	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	262.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68124	1.1
116.05087	4.0
128.05055	2.3
130.06627	8.1
139.55128	1.0
156.08176	33.4
157.05315	1.7
158.06097	5.5
172.07663	53.5
174.05531	2.6
199.25243	1.0
200.07181	32.6
202.05106	72.4
218.08192	5.6
244.06244	1.7
262.07202	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	262.0718
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
51.64775	1.3
55.66377	1.3
55.72415	1.5
71.01357	12.4
115.00361	25.8
125.16239	1.6
131.05037	10.2
134.03754	12.9
146.06110	100.0
147.04474	15.9
148.05283	11.3
149.06073	15.6
153.03458	1.8
156.08197	9.4
172.07626	2.2
174.09183	3.8
190.05215	2.1
200.07172	11.0
202.05110	3.9
218.08231	49.2
227.24643	1.8
232.00499	2.0
235.65977	2.0
244.06238	2.1
247.03006	2.1
247.08488	3.3
248.87639	2.0
262.07220	65.9
262.13754	3.1
267.42731	1.9
284.22028	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	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26965	0.5
57.03442	1.1
59.01377	1.2
68.42355	0.5
85.65205	0.5
97.06563	6.9
102.80387	0.5
103.81551	0.5
118.36132	0.7
123.08122	2.5
125.09703	100.0
143.10744	0.9
153.12793	0.6
169.08710	4.8
187.09755	81.4
243.12157	0.9
243.82272	0.6
261.13416	31.1
261.17017	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	262.072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49526	1.6
59.43330	1.5
65.95457	1.8
66.94601	2.0
67.25697	1.5
71.01019	1.5
71.01367	16.9
71.01701	1.7
115.00365	35.0
131.04997	8.4
146.06104	100.0
147.04492	17.7
149.06038	2.8
156.08157	15.5
172.07651	7.5
173.45282	1.7
174.09187	2.7
200.07146	15.4
202.05103	10.6
218.08223	54.9
250.48923	2.6
262.04703	2.8
262.07187	78.1
262.10193	3.4
262.11124	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	260.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85530	1.5
58.11708	1.5
59.01379	100.0
64.81661	1.9
71.01382	9.0
71.05010	14.4
72.00898	2.3
83.82575	1.8
88.04038	17.3
92.19425	2.5
92.24442	2.0
98.02440	1.9
120.39034	1.9
124.72114	1.9
126.09230	22.8
127.84594	2.0
128.07156	83.9
144.03038	10.6
146.08229	12.2
184.83685	1.8
200.09286	77.6
218.10397	9.0
260.11401	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	261.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	0.8
58.99595	1.7
59.01376	7.2
59.18605	0.4
70.02974	0.4
74.02459	10.0
84.04543	0.7
96.26306	0.4
98.02468	3.5
106.10981	0.4
113.04310	0.6
116.03533	6.1
128.03510	2.0
131.05345	100.0
132.04550	6.4
144.04559	0.8
153.09155	0.4
157.07602	0.6
158.06061	0.8
175.08754	1.7
201.05884	8.1
201.11325	0.8
219.06944	18.2
219.12369	4.7
243.07874	0.5
261.08395	8.3
261.13263	0.9
265.15198	0.4
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	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
50.13057	0.5
54.03460	0.4
55.72224	0.5
57.03445	0.8
77.82363	0.6
85.69281	0.5
91.04064	0.6
92.19324	0.8
97.06578	5.8
118.63743	0.5
123.08171	2.1
125.09708	100.0
143.10764	0.7
148.82208	0.5
154.00186	0.6
169.08708	3.3
187.09763	88.4
211.14778	0.5
223.05786	0.5
261.13443	29.5
269.25836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08703	1.0
55.09810	0.8
55.51912	0.8
55.78196	0.9
58.04087	4.4
61.43206	0.9
71.26164	0.9
82.02370	0.9
83.06140	9.3
85.07683	9.2
87.00863	3.8
103.05542	1.2
131.05003	9.7
146.06096	9.2
147.18710	0.9
169.12317	1.1
197.11781	1.9
217.13446	100.0
241.10782	5.5
242.12935	5.1
249.92307	1.0
259.11871	9.6
259.15610	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	259.1913
Annotation	Ipurolic acid
Peak:m/z	Relative Intensity
59.01377	100.0
82.81998	1.3
100.21433	1.7
105.79034	1.4
116.92857	2.2
192.81628	1.4
199.17003	1.8
256.47614	1.6
259.19128	84.4
279.00916	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	259.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54371	0.8
58.04085	4.3
78.52805	1.0
83.06134	9.2
85.07695	6.4
120.84674	1.2
129.36751	1.1
130.18530	1.2
131.05020	10.2
146.06142	7.7
146.56514	1.1
157.58949	1.1
200.10693	1.2
217.13451	100.0
242.12952	6.1
259.11777	1.7
259.15598	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	259.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04102	4.1
59.01373	1.1
63.33340	0.8
63.45719	0.8
63.61479	0.8
78.62693	1.1
79.04202	0.9
80.24278	0.9
83.06123	12.6
85.02930	1.6
85.07691	8.5
92.19985	1.3
95.48915	1.1
103.05476	1.3
120.50600	0.9
131.05022	11.2
131.06502	0.9
143.87915	0.9
146.03175	0.9
146.06088	9.6
161.31682	1.0
167.25107	0.9
171.12166	4.4
183.80524	1.0
199.11676	8.6
216.12431	1.3
217.13443	100.0
242.12819	4.8
259.15570	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	259.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70095	0.6
58.04094	4.7
59.01383	1.2
63.71809	0.7
70.25980	0.7
71.05024	0.9
73.02920	0.7
83.06136	12.0
85.07698	9.2
96.96930	0.7
103.05521	1.5
113.07163	1.0
122.92251	0.7
131.05023	7.9
145.17554	0.7
146.06131	7.4
147.04466	0.9
148.03983	1.1
166.97736	0.8
178.41257	0.9
179.10791	1.2
195.10211	1.2
197.11800	3.3
210.26054	0.7
215.12813	1.4
217.13443	100.0
241.10783	1.2
242.12976	5.3
259.11853	12.2
259.15579	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	259.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	62.1
97.06580	59.6
110.76517	4.2
113.06205	4.0
115.99750	3.9
141.05563	18.0
179.14427	65.7
213.96043	3.7
259.15488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
68.01639	0.7
78.64577	0.7
80.02659	1.2
81.03456	0.9
83.05023	6.1
84.02158	3.8
95.04998	1.0
127.03933	0.8
140.40828	0.8
155.10738	4.4
163.11269	7.5
165.12839	4.6
177.45720	0.7
181.12250	0.8
191.10744	1.0
199.09621	0.9
199.13356	1.2
209.11826	100.0
214.12320	0.8
217.10822	3.7
217.14433	3.4
227.12851	8.3
259.15515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70095	0.6
58.04094	4.7
59.01383	1.2
63.71809	0.7
70.25980	0.7
71.05024	0.9
73.02920	0.7
83.06136	12.0
85.07698	9.2
96.96930	0.7
103.05521	1.5
113.07163	1.0
122.92251	0.7
131.05023	7.9
145.17554	0.7
146.06131	7.4
147.04466	0.9
148.03983	1.1
166.97736	0.8
178.41257	0.9
179.10791	1.2
195.10211	1.2
197.11800	3.3
210.26054	0.7
215.12813	1.4
217.13443	100.0
241.10783	1.2
242.12976	5.3
259.11853	12.2
259.15579	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	259.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.3
66.16890	0.9
74.02483	1.5
77.83577	0.8
78.95902	3.7
82.02965	1.5
84.04553	1.5
86.03307	0.8
89.46484	0.8
96.96925	2.0
99.04530	1.1
110.43745	1.1
115.44156	0.9
122.99414	1.0
128.03520	100.0
130.08717	93.3
169.13432	1.5
171.14981	1.4
179.11810	5.0
197.12988	11.6
200.91441	1.0
212.33398	0.9
217.10709	1.0
223.10887	11.0
241.11926	9.9
259.02274	1.2
259.08231	3.4
259.13071	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	259.1298
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
61.77381	0.8
66.47717	0.7
76.46484	0.8
80.83505	0.8
82.02958	1.9
84.04523	1.2
88.17767	0.9
91.89659	0.8
112.03956	1.2
126.09013	0.8
128.03522	100.0
130.08714	83.9
130.99171	0.9
141.10280	1.8
153.51691	0.9
153.55292	1.0
179.11859	3.7
197.12953	15.9
217.10834	0.9
223.10889	9.0
241.11966	18.4
258.99368	0.9
259.13007	11.0
276.94482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32039	0.8
54.15646	0.9
56.63911	0.9
57.03442	6.1
58.53305	0.9
59.01379	20.8
78.95885	1.2
83.05007	4.4
85.03022	1.0
87.00861	17.4
99.04510	4.0
111.08144	1.3
137.09631	1.1
151.11226	3.7
179.10709	3.6
181.08749	5.4
197.11819	30.2
197.13506	1.5
199.09766	70.7
215.12955	2.4
223.09848	1.7
241.10820	12.9
259.11868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44309	1.0
53.30503	1.0
53.69088	1.2
59.01369	7.4
60.18955	1.1
68.17682	1.1
72.99293	1.2
73.02942	1.4
77.44188	1.3
78.38555	1.0
79.98809	1.2
80.74091	1.1
83.05049	1.1
85.02921	1.9
87.00865	100.0
92.20056	2.8
96.96909	1.4
162.95476	1.1
168.70787	1.6
169.12318	30.1
171.10220	5.9
171.12236	2.5
172.06436	1.2
173.07159	2.6
179.10783	1.8
183.78618	1.2
197.11827	17.8
198.11290	1.2
199.09738	12.2
199.11703	8.9
215.08266	5.4
215.12796	1.9
217.12720	7.0
221.52180	1.3
241.08430	1.9
241.10829	38.3
259.09415	1.6
259.11880	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	259.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19495	0.8
58.04094	4.2
59.01355	1.2
68.05059	0.8
72.00906	4.8
74.02460	30.5
83.06135	11.0
84.04546	5.1
85.07687	7.2
98.02480	1.9
100.04034	1.4
103.05532	1.0
104.03522	96.5
105.36435	0.8
116.03502	1.5
128.10779	5.8
131.04994	9.2
146.06082	9.2
172.09711	1.4
181.81200	1.0
190.84924	0.9
199.09779	1.8
204.31708	0.9
210.36165	1.0
217.13438	100.0
219.03188	0.8
229.11905	12.5
242.12971	5.6
259.12766	16.6
259.15619	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	259.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53414	0.8
59.01381	11.0
65.26063	0.8
65.52235	0.8
69.24587	0.9
72.61723	0.9
110.30701	1.0
117.05805	0.9
129.58659	1.0
132.34962	1.1
133.54593	1.2
134.76694	0.9
137.09697	8.7
140.91245	1.0
155.10770	100.0
171.10298	16.5
183.10287	1.4
184.37306	0.9
199.09761	25.7
215.12878	2.0
217.10812	86.4
217.13310	8.4
227.09171	3.6
259.11838	14.5
259.15707	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.9
58.04087	3.5
69.25105	1.4
71.05009	2.1
75.58521	1.4
80.43206	1.5
82.04091	10.0
87.04499	10.2
89.76956	1.5
111.01996	2.1
111.96659	1.6
112.02358	2.5
115.07631	17.9
129.09206	3.3
135.05621	3.2
139.47238	1.7
157.08742	12.6
175.09755	56.4
214.15550	3.3
216.12437	14.7
240.13576	2.1
258.14581	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	258.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24368	1.1
59.01384	23.2
85.02942	25.2
129.01926	1.8
141.44092	1.4
142.12378	15.2
154.12387	12.2
168.10216	3.1
170.11847	48.9
181.03691	1.4
189.07230	1.5
193.87706	1.4
198.11354	100.0
216.12395	89.7
258.13373	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	258.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	21.9
65.75793	1.2
71.76298	1.1
78.58813	1.1
84.70930	1.2
85.02931	25.7
92.20020	1.4
94.93806	1.2
109.22626	1.2
116.68409	1.1
129.01906	4.6
142.12360	11.3
154.12372	9.8
168.10289	7.0
170.11841	45.2
198.11343	100.0
216.12381	87.4
258.13348	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	258.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	24.8
64.15170	1.0
65.14046	1.2
84.99077	1.3
85.02943	22.7
86.70625	1.3
91.95005	1.1
94.38518	1.2
95.51098	1.1
97.24572	1.1
109.56176	1.2
129.01923	2.5
142.12352	11.6
154.09531	2.5
154.12399	9.3
168.10260	5.3
170.11862	42.8
172.10622	2.1
198.11356	100.0
216.09590	5.8
216.12407	76.7
258.13504	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	257.2122
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
59.11964	0.8
67.24819	0.7
82.84351	0.7
89.58170	0.9
116.92854	9.1
132.30945	0.9
209.19150	3.4
211.20674	95.0
239.20140	1.9
257.21207	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	257.176
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
58.71297	0.9
61.84157	1.1
75.14095	1.1
80.89981	1.1
116.92799	2.8
125.09711	1.9
153.09207	6.0
156.16273	1.3
163.51686	1.2
171.10271	5.9
181.31894	1.2
183.44353	1.1
195.17534	66.6
215.09271	7.8
239.14076	1.5
239.16537	70.8
257.17599	100.0
257.23752	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	257.2122
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
56.12327	0.4
58.58118	0.3
69.69299	0.4
73.96960	0.3
74.58221	0.3
78.95402	0.4
78.95873	0.4
102.87714	0.3
103.57427	0.4
116.92858	0.5
151.29427	0.4
153.09268	0.4
171.10271	0.6
211.20685	4.8
215.09154	1.7
223.51709	0.4
239.20293	1.7
257.21225	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	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.2
71.05012	5.6
71.61267	1.2
74.83118	1.2
92.19339	2.7
97.06549	9.6
99.00856	14.5
99.08141	5.8
115.26021	1.6
123.08179	2.3
125.09704	100.0
127.07620	17.5
129.09193	7.2
153.09161	5.4
163.11298	6.4
171.10249	5.5
181.12317	13.5
197.08055	1.6
207.10268	26.8
215.09236	6.9
225.11330	58.4
239.12909	5.0
239.16376	1.9
257.11346	1.4
257.13943	33.5
257.17542	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	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33066	0.6
59.01081	1.3
59.01379	28.0
72.99291	5.6
88.73341	0.6
113.85950	0.6
121.33707	0.7
125.09709	8.6
135.08154	1.3
151.11249	0.7
153.09204	7.6
169.12294	6.3
171.10245	9.4
197.08176	3.8
197.11833	13.3
215.09631	13.4
215.12881	100.0
257.10300	0.8
257.14026	5.0
257.23837	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	257.1758
Annotation	Tetradecanedioic acid
Peak:m/z	Relative Intensity
52.46352	0.9
59.22670	0.8
71.90348	1.1
99.08147	4.1
111.08147	4.9
113.09719	2.0
123.08190	1.1
127.07642	2.0
153.80922	0.9
157.08643	10.7
168.03198	1.2
183.17560	1.0
211.17033	6.3
215.09131	1.7
221.15475	1.6
227.16624	1.3
239.16530	2.0
255.15919	1.9
257.17587	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	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80096	1.6
54.86202	1.4
57.03434	3.6
59.01370	7.3
59.71936	1.5
63.21543	1.3
69.03427	2.9
71.01348	2.0
71.05013	19.0
97.06568	9.1
99.00861	8.7
104.37840	1.5
119.50617	1.5
123.08131	2.2
125.09699	100.0
125.21432	1.5
130.12845	1.6
135.08142	2.0
153.09201	24.6
153.12845	1.9
163.11255	27.7
171.10257	19.8
179.10864	2.8
181.12323	45.8
189.77357	1.5
197.08186	11.0
203.92082	1.6
207.10272	14.1
215.09242	29.1
225.11334	28.6
239.12813	2.1
257.13931	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.3
64.04364	1.3
64.74224	1.5
93.63864	1.7
125.09711	9.9
125.42420	1.5
139.54794	1.5
153.09171	7.7
153.12814	8.3
171.10265	9.1
177.12828	3.1
195.13896	41.9
197.11810	100.0
215.09273	10.9
215.12923	3.1
235.57425	1.6
239.12946	13.3
257.13940	66.4
257.23923	2.3
274.26666	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	257.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03653	3.0
53.85454	2.9
54.67406	3.4
57.03439	4.4
62.25135	3.2
68.58066	3.2
70.59012	3.4
71.05012	19.4
93.03460	4.2
97.06586	8.8
99.00867	8.4
108.69476	3.8
110.43416	3.5
123.08157	4.7
123.97142	4.2
125.09701	100.0
153.09207	21.2
163.11253	29.1
167.14333	3.6
171.10252	17.9
181.12375	46.7
207.10179	32.3
213.14995	4.7
215.09248	17.9
225.11334	66.7
257.13901	31.0
257.17590	4.2
257.23749	6.1
266.20294	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	257.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41203	1.8
57.37835	2.2
59.01372	19.6
60.24222	1.6
92.19375	2.6
125.09692	52.9
134.88162	1.9
135.08157	8.6
150.24886	1.9
153.09189	71.5
169.08687	2.6
171.10226	64.4
197.08182	28.4
215.09261	100.0
218.09050	2.3
257.10309	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	31.2
60.69051	2.7
100.34919	2.5
125.09702	56.1
127.48424	3.4
135.08153	10.2
153.09218	73.7
171.10269	81.8
197.08157	36.8
215.09262	100.0
215.12822	16.2
247.76802	3.5
257.10306	21.1
257.23792	3.6
263.11801	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	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04785	0.6
54.73427	0.6
59.01376	4.2
59.61622	0.6
64.16391	0.6
71.04998	6.0
72.02159	0.9
79.62620	0.6
83.05029	0.9
87.04516	1.6
96.22111	0.6
111.08153	1.3
125.09704	7.8
128.80952	0.7
135.08159	1.5
137.09698	1.2
139.11272	2.5
141.12834	14.0
151.11235	3.1
153.09204	10.8
164.58714	0.8
169.12323	24.6
171.10278	10.4
183.13843	6.2
188.15240	0.8
195.10306	1.2
196.90388	0.8
197.08179	4.2
213.11292	1.3
213.14948	1.1
215.09245	17.7
221.59834	0.8
239.09256	1.1
239.12878	14.6
248.28355	0.7
257.13953	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	257.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.3
64.46219	1.6
64.54657	1.5
66.79282	1.7
67.29460	1.5
70.40222	1.9
70.79340	1.5
85.57487	2.0
108.14404	1.8
112.19022	1.8
125.09703	48.3
135.08118	4.6
153.09186	58.8
171.10245	64.7
180.41403	2.0
197.08179	23.9
215.09241	100.0
218.78070	2.1
257.10385	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	257.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80506	2.1
59.01377	24.8
66.71172	1.5
73.71478	1.6
93.11219	1.6
113.74273	1.9
125.09709	60.2
125.10629	2.6
135.08157	9.0
153.07983	3.2
153.09203	75.2
171.10257	68.2
189.80060	1.8
197.08203	30.4
215.09261	100.0
221.00325	1.7
257.10309	21.4
263.38892	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	257.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72273	1.5
59.01373	26.8
97.62710	1.9
122.42151	2.0
125.09709	52.2
135.08121	10.9
137.09720	2.5
153.09206	72.9
159.09283	4.1
171.10258	67.9
187.24333	2.0
197.08191	36.9
215.09264	100.0
215.12602	2.9
247.56163	2.0
254.54652	2.2
257.10300	25.2
257.13943	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1302
Annotation	H-ALA-ALA-PRO-OH
Peak:m/z	Relative Intensity
58.04090	7.0
62.99139	0.8
64.10152	0.9
67.71089	1.4
68.64858	0.8
74.03478	0.8
82.04092	2.1
84.04553	1.0
87.02507	0.9
88.82339	1.0
95.89181	1.0
108.05687	0.9
110.49218	1.0
117.50964	0.8
124.27602	1.1
125.03552	1.6
126.03900	3.7
126.06769	1.7
135.08054	0.9
141.05569	1.4
144.03343	6.1
145.08701	1.2
155.07094	1.0
173.08194	19.5
176.08211	1.5
212.05826	1.0
212.14183	1.2
238.11880	1.9
256.13037	100.0
256.23584	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	257.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67931	0.8
51.74638	0.7
71.01373	1.2
72.99300	7.0
73.02934	5.1
73.37793	0.8
74.03256	1.0
82.04093	3.9
83.04430	1.3
87.00853	1.6
98.02460	9.1
99.00849	2.1
101.02428	1.1
101.81490	0.9
108.04546	1.7
110.02448	2.1
111.01987	100.0
119.99278	1.0
134.02391	0.8
152.03522	3.7
155.57745	0.9
173.08148	2.1
174.08492	1.9
195.06746	1.0
214.03592	2.1
237.83401	0.9
249.68401	0.9
257.04236	16.5
257.13367	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	256.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23407	2.1
56.46576	2.0
58.83493	1.9
59.01369	2.4
66.81321	2.9
85.02934	63.6
94.81625	2.5
96.04525	17.7
105.28837	2.3
124.07656	21.4
124.08441	2.4
127.07626	10.4
142.08679	5.3
152.07138	100.0
164.10774	29.8
164.57248	2.2
170.08240	27.9
170.11853	74.8
194.11842	3.6
197.01321	2.5
208.09775	39.3
212.12906	9.9
214.10802	3.2
225.60773	2.5
226.10785	3.5
238.10783	3.9
256.09204	2.6
256.11877	69.8
256.23584	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	255.1965
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
53.06804	0.7
64.72253	0.8
153.12883	2.0
184.36382	0.8
216.21524	0.8
255.19656	100.0
255.23277	5.6
279.77408	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10822	0.5
58.02961	2.9
59.01362	1.0
59.79296	0.5
61.57177	0.6
71.19576	0.6
80.72696	0.6
85.02955	0.8
108.19518	0.6
126.05575	0.7
152.07164	2.6
168.13939	1.3
170.11850	100.0
194.11905	1.5
196.09813	3.3
212.12953	16.8
214.10889	5.7
238.10889	8.2
256.11887	39.1
256.23550	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	255.1966
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
53.12629	1.2
114.93380	2.5
116.92857	2.6
136.71503	1.2
214.30807	1.3
227.20187	5.1
255.19638	100.0
255.23273	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1965
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
68.62048	1.0
84.00073	1.0
96.28799	1.1
101.02865	1.2
108.10404	1.2
118.87267	1.1
171.10271	10.8
180.76463	1.2
219.17450	1.5
237.18649	24.5
255.19655	100.0
255.23219	10.4
272.41983	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	255.1965
Annotation	Cadinane-4beta,5alpha,10beta-triol
Peak:m/z	Relative Intensity
57.10793	1.4
59.62168	1.1
60.76839	1.2
169.12337	11.1
212.63150	1.3
237.18500	11.1
251.55383	1.3
255.15816	1.6
255.16777	2.2
255.19632	92.5
255.23276	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	255.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41837	0.4
57.03445	0.7
57.23166	0.5
60.53772	0.5
88.56401	0.5
88.62891	0.5
98.86838	0.6
104.26633	0.5
107.07716	0.6
125.09720	2.2
127.11228	0.7
135.37054	0.6
141.12778	0.9
142.92023	0.6
188.38123	0.7
211.20656	5.0
255.19633	100.0
255.23267	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47988	0.8
56.99539	0.8
59.01378	8.4
59.74435	0.8
61.12994	0.8
70.26609	0.8
83.80629	0.8
96.10824	1.0
127.73782	0.9
140.64508	0.9
157.76579	0.9
161.03838	0.9
165.12753	1.0
171.98494	0.9
193.15991	1.7
194.92757	3.6
195.13960	10.1
207.13953	1.9
219.13861	1.7
225.14915	4.4
237.14961	9.5
253.14467	1.1
255.07253	1.5
255.16022	100.0
255.23285	92.2
258.41821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69199	0.8
52.97617	0.7
57.03445	1.3
59.01367	3.2
59.30993	0.8
59.60680	0.7
61.78682	0.7
64.45616	1.0
69.03437	0.9
71.01369	0.9
71.04996	1.4
78.83637	0.7
83.01376	5.3
83.05013	4.7
83.45526	0.7
85.06577	0.7
85.89653	0.8
101.06068	5.1
115.48531	0.8
125.09697	1.4
129.05424	0.8
153.12820	3.5
167.14435	2.1
171.10239	2.1
181.16107	1.5
183.14021	1.0
193.12289	6.0
193.15970	1.3
211.13437	10.2
211.17105	1.2
235.13397	1.1
237.15030	1.5
255.06912	3.3
255.12746	3.4
255.16031	73.9
255.23294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16167	0.8
54.98668	0.9
59.01379	2.5
63.50161	1.0
69.03441	35.3
69.03792	1.7
71.01376	5.6
71.05011	4.6
80.35297	1.0
81.03434	1.8
85.36797	1.0
88.99038	0.9
95.05000	1.7
97.02924	7.8
97.06581	1.8
103.29727	1.0
110.03678	1.8
111.04504	1.6
121.06590	1.2
122.03724	1.2
123.08140	22.4
125.09716	10.3
136.05293	1.9
137.09712	11.6
149.06023	2.2
149.09680	2.0
151.11281	2.3
161.09726	11.7
177.09160	1.5
179.10762	100.0
205.08688	5.6
211.13411	12.3
223.09749	31.2
236.59299	1.0
255.12370	30.5
255.16174	1.9
255.23299	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	255.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.9
59.01375	3.6
70.88805	1.2
83.05016	2.4
85.02924	1.0
92.19972	1.3
95.04974	1.0
97.06570	2.3
98.25661	0.8
123.08189	2.2
125.09693	1.4
141.09201	1.1
146.11977	1.1
151.11279	9.6
153.12802	4.6
167.14436	1.0
168.71968	0.9
169.12341	1.3
171.32573	1.0
177.91988	0.9
183.13913	12.9
191.14374	1.1
193.15936	5.7
211.13396	91.2
237.14935	4.5
255.12434	9.8
255.16014	80.7
255.23286	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	255.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71429	0.8
54.04398	0.8
55.07297	0.9
55.39793	1.0
55.55683	0.8
59.01379	25.0
71.05025	1.8
72.99291	8.6
78.49361	1.0
93.03452	7.0
93.07086	5.5
109.06566	1.9
109.12850	0.9
111.08156	1.6
121.68113	1.2
133.10226	12.0
137.06036	1.5
149.09708	5.2
167.14432	1.3
195.10274	16.7
210.07004	1.1
211.07654	23.4
211.13448	1.8
213.11339	97.0
255.06711	11.9
255.12376	10.6
255.23305	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	255.0662
Annotation	Aloe emodin anthrone
Peak:m/z	Relative Intensity
54.53058	0.8
55.78210	0.9
58.05622	0.9
65.31712	0.9
93.03443	27.4
105.97324	1.0
117.03438	4.9
165.89792	0.9
183.08165	1.0
193.06569	5.7
209.06163	2.1
210.06879	8.7
211.07655	100.0
255.06642	65.6
255.23282	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	255.0663
Annotation	3,4'-Dihydroxy-2-stilbenecarboxylic acid
Peak:m/z	Relative Intensity
51.65690	1.0
51.89226	1.0
53.39289	0.9
59.01373	22.7
67.45466	1.1
71.04981	1.3
72.99291	9.1
78.06893	1.2
93.03438	17.0
93.07088	4.8
109.06570	2.3
117.03458	2.4
133.10228	14.5
137.06029	1.4
149.09650	2.5
167.10750	2.0
193.06587	1.6
195.10255	17.7
209.06090	1.3
210.06871	2.8
211.07632	60.2
211.13255	1.5
213.11320	80.9
255.06631	37.7
255.12303	7.2
255.23274	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	255.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31181	0.8
54.96010	0.9
57.03442	12.4
58.09870	0.9
59.01381	9.8
64.18684	0.9
69.12443	1.0
71.01360	1.1
73.02922	4.1
83.05013	8.9
103.11984	0.9
114.74279	0.9
139.11295	1.9
145.68460	1.1
151.11284	1.2
167.14374	8.0
169.60344	1.0
193.12373	3.9
199.02570	1.0
211.13394	100.0
227.12894	2.1
255.12421	14.5
255.23277	57.3
275.79822	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	255.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93052	1.5
58.00587	2.8
59.01365	3.3
72.99296	39.3
75.00883	1.8
78.95863	1.5
85.28226	1.7
93.03435	10.7
99.00816	1.5
107.05013	18.1
120.99641	20.5
122.06112	2.1
125.03548	95.6
131.04971	1.9
133.02937	6.1
139.09352	1.7
147.04506	3.8
149.06050	11.4
165.05542	97.3
167.03500	3.8
167.07077	2.1
179.03482	25.3
188.38605	1.7
189.71930	1.5
193.05003	19.0
254.99747	2.3
255.04959	59.7
255.08667	2.3
255.23280	100.0
270.19983	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	255.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01374	0.9
63.90487	0.4
65.61385	0.5
70.02972	0.8
71.01387	0.5
72.99324	0.4
85.02953	3.2
87.00874	1.8
95.89244	0.4
110.02457	0.6
112.21390	0.4
120.99638	4.6
122.06103	2.7
124.09406	0.4
125.03554	100.0
129.01923	3.3
130.72314	0.4
150.05606	2.2
156.76385	0.6
179.04572	0.4
193.06177	2.9
196.32161	0.4
212.05577	0.9
255.00027	0.6
255.06253	22.0
255.08878	1.0
255.23300	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	255.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99278	0.7
84.95527	0.4
87.00850	3.2
96.96017	1.7
105.01929	0.4
108.02160	9.5
120.99658	0.5
123.03652	0.7
123.04506	15.3
123.07237	0.4
133.94037	0.4
149.06042	0.5
152.01140	38.3
156.92342	0.4
165.05582	2.0
167.03482	100.0
193.05054	1.4
195.02972	0.5
211.06158	0.6
213.39433	0.4
255.05211	5.7
255.08656	0.7
255.23276	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	255.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10384	0.4
67.76619	0.4
73.29757	0.5
74.30553	0.4
75.35649	0.4
85.69186	0.5
87.00860	3.0
103.28010	0.5
108.02157	10.1
120.99633	23.6
123.04502	11.7
123.08089	0.6
125.03553	28.8
127.07585	0.8
128.07983	0.6
129.01965	0.6
149.06078	0.7
150.05618	0.6
152.01144	38.9
167.03485	100.0
169.10593	0.5
193.06340	0.9
211.12804	2.8
238.07727	0.5
255.00079	5.5
255.06342	4.8
255.23302	30.5
255.25993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06396	1.8
60.78568	2.0
61.10339	2.3
70.19452	1.9
70.57800	1.8
72.48611	2.1
73.31419	1.9
80.74780	1.9
87.00861	100.0
87.31949	2.5
92.19923	2.9
102.03457	2.0
102.33418	2.1
102.82187	2.0
130.99850	86.0
132.00629	13.1
147.08990	2.3
147.61246	2.5
176.45514	2.2
201.24576	2.1
244.22752	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	255.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52703	0.9
74.49786	1.0
77.83637	0.9
87.00867	19.3
121.02910	1.2
122.03712	1.8
123.04506	100.0
135.82863	1.2
149.06061	19.8
150.03162	2.4
151.03979	1.7
152.01138	2.1
165.05531	18.5
167.03442	9.2
173.32541	1.2
175.04024	1.2
193.05048	16.7
195.02979	22.1
237.04053	1.6
255.05101	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1808
Annotation	7,15-epoxycaryophyllane-3,5beta-diol
Peak:m/z	Relative Intensity
59.01364	1.2
82.56337	1.0
91.50014	1.2
97.44866	1.0
106.36309	1.0
125.09698	2.4
141.12721	0.9
171.13930	3.8
207.07152	1.0
209.19240	1.3
253.18080	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	253.1809
Annotation	4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol
Peak:m/z	Relative Intensity
52.38956	1.2
59.01379	3.3
74.84912	1.2
77.55345	1.4
83.37349	1.2
105.69823	1.4
114.59043	1.6
123.38480	1.4
125.09721	1.4
171.08832	2.9
171.10255	54.0
199.54866	1.3
235.17014	53.9
253.18094	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	253.1807
Annotation	4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol
Peak:m/z	Relative Intensity
50.16490	0.9
56.75475	1.0
59.01378	8.0
60.93457	1.0
62.13784	0.9
68.07938	0.9
71.01347	1.2
75.00853	1.4
84.67969	0.9
85.74307	1.0
89.02424	1.6
92.77718	1.1
95.09859	1.0
135.60199	1.2
171.10246	59.5
235.17017	78.5
253.18074	100.0
253.21774	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	253.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70781	0.9
71.48528	0.8
80.46295	1.0
83.05002	1.4
99.08132	4.7
112.93709	1.1
151.11296	3.9
165.62613	1.1
167.21620	1.1
167.50330	1.1
179.40959	1.0
209.19165	1.1
238.90431	1.0
253.18082	100.0
273.88257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1445
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
51.77960	1.1
52.70259	1.0
53.28205	1.0
59.01377	100.0
64.33849	1.3
65.82858	1.2
71.34747	1.1
78.22771	1.4
81.03452	2.1
83.05005	1.5
98.34705	1.3
137.04361	1.4
149.09732	2.2
191.14365	1.8
193.12337	8.2
209.06000	1.6
253.14435	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1444
Annotation	Russulanorol
Peak:m/z	Relative Intensity
59.01370	15.6
63.68341	3.2
71.01380	3.4
76.45377	2.9
97.02906	4.7
123.55894	4.0
139.07654	5.5
149.09682	3.4
151.11247	15.4
165.09079	3.7
207.13937	21.6
253.14462	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	253.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.1
65.36546	0.5
92.20003	0.6
97.39610	0.4
107.52216	0.4
109.06576	3.0
110.71745	0.5
119.02806	0.4
125.09679	5.1
171.13872	0.5
209.19093	2.0
253.18079	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	253.1444
Annotation	Russulanorol
Peak:m/z	Relative Intensity
59.01384	10.0
71.01379	1.9
79.95734	2.0
80.02670	4.2
81.03440	3.2
82.41000	0.9
83.05018	4.0
84.02148	6.9
93.03435	1.0
109.06583	1.6
133.19525	0.8
135.08195	1.1
149.93916	0.7
163.11234	1.3
171.82863	1.0
189.12863	1.4
191.14418	12.4
205.46461	1.0
217.12192	1.0
235.13388	100.0
253.14275	5.7
253.21767	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1445
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
50.36462	0.6
54.59838	0.6
55.01879	1.4
59.01373	6.8
61.35270	0.6
82.45288	0.7
83.01376	4.9
87.00874	0.8
92.19944	0.8
99.08163	0.8
101.06075	11.2
125.09675	0.8
129.05565	12.8
142.99828	8.2
146.06104	0.8
156.07800	0.8
167.07144	0.9
168.07877	7.5
176.08151	0.7
181.05046	7.0
181.16142	0.8
196.07439	1.0
197.52795	0.7
209.15506	4.9
218.27319	0.8
225.14961	9.6
235.13350	2.5
253.14455	100.0
264.05133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1443
Annotation	(-)-trans-C75
Peak:m/z	Relative Intensity
51.96030	0.3
59.01372	2.0
60.45879	0.4
67.42411	0.3
76.40492	0.4
89.02425	0.4
94.96468	0.4
100.73033	0.5
102.53760	0.3
119.89997	0.4
130.26874	0.4
133.31758	0.3
148.00105	0.4
165.16489	1.9
183.17503	0.7
209.15460	100.0
253.14371	5.4
253.21791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1445
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
58.00585	6.1
59.01377	12.9
71.01380	2.0
73.02937	2.0
83.05022	1.6
84.02160	2.5
92.19294	2.2
92.64645	0.9
101.02432	1.1
113.64891	0.9
153.12856	2.1
174.75151	1.0
181.15984	5.7
183.72913	1.0
191.14478	2.1
196.55702	1.0
207.13904	1.2
209.15433	1.7
225.14957	34.1
235.13338	10.6
253.14452	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	253.108
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03446	25.8
58.69225	2.2
78.95129	2.6
82.66802	3.0
83.05013	13.4
97.06565	3.0
98.89912	2.9
99.62921	2.9
105.79353	2.8
136.04039	4.3
137.04420	8.4
151.07658	4.9
163.11287	3.8
165.12828	100.0
188.04134	4.1
191.10706	4.7
209.11835	26.4
253.10796	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04656	0.4
69.24523	0.4
71.97105	0.5
73.42915	0.4
76.97118	0.4
80.17599	0.5
80.93114	0.5
95.05022	0.6
102.39874	0.5
119.05076	0.6
121.02972	0.6
122.03717	11.8
123.04505	78.0
137.02451	0.7
139.54298	0.5
145.02946	8.1
146.03722	3.5
147.03331	0.5
147.04514	15.5
150.03172	5.4
165.05550	100.0
174.70555	0.4
191.03485	0.6
224.69722	0.4
235.02606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84825	0.3
57.28328	0.3
59.01384	0.5
71.01376	2.2
93.03445	0.7
93.67781	0.4
94.03793	0.4
97.02939	0.7
98.03252	0.7
105.03478	0.7
119.04999	0.4
120.49635	0.4
121.02899	0.7
122.03726	10.3
123.04504	83.7
125.06081	0.6
126.06417	0.5
129.03410	0.5
132.03027	1.5
133.03316	0.5
136.03969	0.5
137.02394	1.7
137.04381	0.6
137.06036	0.4
145.02948	8.6
146.03734	4.3
147.04506	10.9
150.03203	4.3
165.05547	100.0
191.03561	0.7
209.11224	1.6
235.02423	0.7
247.62886	0.4
253.05566	1.4
253.10104	0.5
253.15561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06292	2.0
58.04102	20.3
69.03446	5.5
71.01373	52.6
73.27192	2.3
82.04098	4.6
82.56661	2.4
84.05719	3.8
97.02940	100.0
100.04046	4.1
105.07111	3.0
107.31725	2.3
122.09733	3.9
124.54968	2.6
125.06073	66.3
136.71786	2.2
142.06213	2.5
147.09247	9.9
149.06062	12.6
164.11899	9.6
166.08736	15.8
169.05046	9.1
178.48366	2.1
208.10919	97.4
252.09909	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19995	2.4
58.04090	23.6
59.01379	2.5
69.03441	3.8
71.01376	57.2
75.28992	2.8
77.58967	2.5
82.04095	4.8
84.05645	3.6
85.81477	2.9
88.03963	3.7
93.03413	3.4
97.02932	99.2
115.00305	3.8
125.06059	72.3
132.03017	7.2
136.04053	6.7
136.05074	3.5
137.02406	4.9
147.09216	10.2
149.06059	6.6
164.11928	12.0
166.08678	11.9
169.05025	11.1
208.10919	100.0
212.64203	3.0
251.92123	3.1
252.04979	6.3
252.09886	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91967	0.6
64.17714	0.6
71.01389	6.6
74.26804	0.6
85.46074	0.7
88.04032	2.9
93.03445	8.8
114.02022	0.9
115.00361	14.5
118.02966	9.2
118.19156	0.6
120.82918	0.7
121.02894	0.8
125.02869	0.6
132.02991	3.9
136.04030	100.0
137.02428	6.9
140.51308	0.7
142.99626	0.6
146.06070	3.5
146.92471	0.6
164.07166	8.1
208.06158	4.7
234.03947	0.9
252.05138	23.9
274.46884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00544	1.3
54.46041	1.3
75.84956	1.3
79.95728	100.0
89.46720	1.4
98.01969	1.4
103.12907	1.5
108.63947	1.3
110.00336	1.6
112.23248	1.4
115.00344	2.1
116.47289	1.6
136.04048	13.7
142.65756	1.8
153.01221	1.8
161.52473	1.6
166.96895	1.5
188.11125	14.4
252.04842	3.1
252.07344	48.5
252.13159	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	252.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16529	1.5
50.52654	1.7
58.04092	29.2
59.01363	1.9
67.03005	8.6
69.03468	7.1
71.01375	72.3
82.04086	9.1
84.05674	3.2
88.04015	22.4
92.77232	1.8
93.03444	35.2
97.02935	89.2
105.07085	4.7
114.01938	20.8
115.00339	22.0
115.89207	2.4
122.09739	10.8
122.31989	2.1
125.06068	82.6
132.03020	74.1
136.04024	42.9
137.02417	24.9
147.09273	11.3
149.06050	12.5
151.03979	2.5
164.11877	9.8
166.08696	21.4
169.05017	14.1
190.05078	4.0
190.09706	2.5
208.06000	1.9
208.10915	100.0
252.05168	42.8
252.09911	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	252.0512
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
53.30243	0.5
71.01372	6.7
83.81807	0.6
88.04021	2.2
91.01878	0.6
92.61816	0.6
93.03438	7.4
115.00350	13.1
118.02977	7.6
132.03032	4.1
136.04028	100.0
137.02438	6.6
141.23949	0.7
146.06120	1.3
162.05705	0.5
164.07126	7.8
208.06125	6.2
220.48608	0.6
234.04140	1.3
237.00648	0.6
252.05116	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	252.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42091	0.6
68.37215	0.6
71.01366	7.2
86.27543	0.7
88.04027	1.1
89.00757	0.6
93.03442	8.7
115.00359	13.3
118.02962	9.1
132.03011	4.5
136.04030	100.0
137.02438	7.5
146.06119	2.6
162.05678	0.9
164.07170	9.5
166.60333	0.6
178.54399	0.7
208.06163	6.0
252.05133	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	252.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02958	1.6
58.04099	11.3
59.61244	1.2
60.43861	1.3
64.44647	1.1
65.15338	1.1
67.02993	1.6
69.03451	2.7
71.01375	46.2
82.04086	4.9
84.05624	2.0
86.66603	1.2
88.04035	25.0
93.03437	59.7
93.07073	1.4
97.02933	45.9
105.07082	1.6
114.01955	24.9
115.00349	32.2
120.04528	2.7
121.02935	9.4
122.09734	5.1
123.04494	2.8
125.06073	44.8
129.10326	4.8
130.10648	2.0
132.03015	100.0
134.85039	1.2
136.04030	57.8
137.02432	29.0
146.03697	1.4
146.06093	1.9
147.09230	6.6
149.06055	6.3
162.05696	1.6
164.07195	3.0
164.11906	2.8
166.08737	11.3
168.13959	1.4
169.05016	6.5
170.32039	1.2
190.05170	12.8
190.99753	1.2
208.06157	5.5
208.10898	51.0
234.04021	5.2
252.05135	54.1
252.09769	14.3
252.14276	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	252.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04094	11.4
67.02994	1.1
69.03448	2.6
71.01371	46.4
71.39551	1.0
76.62727	1.2
82.04111	4.9
83.22668	1.1
84.05652	2.1
88.04025	25.9
90.79736	1.1
93.03442	48.8
93.07101	1.2
97.02935	48.1
105.07095	2.1
111.46045	1.2
114.01946	26.5
115.00348	30.4
118.29305	1.2
119.05054	1.3
120.04517	4.4
120.99672	1.2
122.09769	5.4
125.06067	40.3
132.03014	100.0
136.04034	51.1
137.02437	32.1
147.09253	5.3
149.06075	5.0
164.04839	1.6
164.07144	4.7
164.11891	5.0
166.08698	14.8
169.05051	5.4
169.88672	1.4
174.53055	1.3
190.05101	11.2
203.19415	1.3
208.06242	2.7
208.10933	49.0
234.04141	4.2
252.05121	51.8
252.09837	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1652
Annotation	(+)-Todomatuic acid
Peak:m/z	Relative Intensity
50.89640	4.7
57.03452	51.5
61.09244	5.9
69.80637	5.1
79.96342	6.0
97.42995	6.2
102.73756	5.9
112.46040	6.2
116.92893	7.1
204.03027	6.2
207.17555	26.0
251.16556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1651
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
50.31065	1.6
51.85925	1.5
67.64729	1.6
68.46281	1.7
68.84772	2.0
68.89874	2.3
70.31314	1.7
90.00314	2.0
99.08141	100.0
107.08659	11.8
123.30072	2.1
151.07617	7.9
234.20328	1.9
237.04642	2.1
251.16557	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16199	3.3
58.17971	3.6
59.01368	16.3
64.08075	4.1
80.91040	4.0
80.96485	4.1
92.86659	4.6
104.10902	3.7
107.54952	4.1
109.02912	5.2
111.26332	4.1
118.52608	3.9
136.05287	18.3
149.09724	18.4
149.42528	4.3
189.12877	29.0
205.12344	6.2
207.13901	24.0
233.11827	16.6
251.12943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33869	0.5
58.02975	10.3
59.01361	0.5
77.29874	0.4
79.00453	0.4
81.62422	0.5
83.06141	1.3
85.07677	0.8
100.07688	1.0
105.35081	0.5
109.02915	1.2
112.07664	7.1
120.99609	2.0
121.02947	25.2
121.03896	1.0
122.03665	0.7
129.05614	0.9
129.10321	40.4
135.35970	0.5
137.06096	3.6
137.94960	0.5
159.37608	0.6
163.04277	2.8
189.03891	2.3
192.02563	1.2
207.05022	3.7
251.06038	2.6
251.14003	100.0
253.37720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1289
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
56.26236	2.7
61.12036	2.5
63.08938	2.7
63.24903	2.5
63.31782	2.6
65.67432	2.6
69.63483	2.6
88.26494	3.2
110.03710	15.1
111.49736	2.7
116.92854	3.9
142.02678	4.2
182.32240	2.9
186.32307	3.3
189.30121	2.7
190.85199	3.1
207.13884	24.6
233.11835	59.6
251.12877	100.0
251.16815	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	251.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37287	0.7
56.77536	0.8
59.63030	0.8
61.99324	0.9
66.13880	0.8
72.99298	9.8
75.00858	5.0
75.74796	0.9
75.81779	0.8
87.00882	2.2
106.23134	1.2
111.08155	1.2
116.47073	0.9
121.06609	3.6
136.05284	27.5
138.06909	1.3
147.04543	1.3
149.09715	32.9
163.11272	9.1
164.04713	1.4
175.11288	1.4
177.12828	5.4
179.14340	3.6
189.12869	4.1
205.12350	19.6
216.63890	1.1
224.72266	1.0
233.11812	7.9
251.12889	100.0
265.45605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60220	1.1
62.80095	1.0
72.99303	9.1
75.00856	2.0
77.43695	1.1
87.00856	1.4
90.05435	1.0
93.03419	1.5
100.04034	2.5
111.08136	1.3
131.43849	1.1
136.05289	31.0
143.92821	1.3
147.97060	1.2
148.05313	2.0
149.09715	32.9
161.09698	1.7
163.11288	9.2
164.04742	1.7
177.12883	6.0
189.12865	1.4
192.46260	1.6
205.12373	20.2
207.13881	2.3
233.11861	8.6
251.12909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1288
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
59.01369	4.0
90.42251	2.0
96.11012	1.8
96.11735	1.9
97.02920	3.3
110.03704	14.0
111.64178	2.0
122.22874	2.2
123.04515	2.1
136.05302	2.8
142.02696	4.4
207.13895	33.5
233.11797	50.5
249.74097	2.4
251.12880	100.0
270.26584	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0671
Annotation	(R)-N-formyl-beta-hydroxy-L-kynurenine
Peak:m/z	Relative Intensity
61.31526	1.5
75.81490	1.8
85.02937	8.4
120.99673	17.2
121.04061	100.0
122.02472	23.2
129.01915	3.4
135.04477	2.0
135.05592	2.2
137.95157	2.1
145.07693	13.4
163.04326	15.9
179.67255	1.8
187.39066	2.1
189.06735	28.2
207.07758	34.8
233.05739	2.9
251.06538	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93848	1.0
66.32318	1.1
67.66338	1.3
71.01375	24.6
72.46027	1.2
74.99093	1.6
90.98553	2.5
92.05050	48.5
101.04300	5.3
115.00369	32.7
117.04570	76.5
119.05354	7.5
120.99659	8.0
135.05646	100.0
136.04041	17.4
136.99118	1.2
143.15495	1.2
145.04176	1.6
145.74309	1.4
154.47905	1.1
163.04311	11.7
163.08846	14.9
175.05127	1.7
189.06657	5.8
207.07770	27.2
233.05714	5.7
251.06738	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1448
Annotation	Furmecyclox
Peak:m/z	Relative Intensity
55.79253	0.4
61.43242	0.4
70.30910	0.5
73.73923	0.4
86.64004	0.6
103.50280	0.5
250.14473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75011	0.7
75.00858	3.7
87.00871	10.9
88.04013	3.6
92.19894	1.5
98.93271	1.0
105.01921	100.0
117.03458	1.3
119.05009	61.0
132.03017	3.6
133.03319	1.1
145.02937	16.7
163.03999	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04207	0.8
50.81567	0.7
51.48267	0.8
57.03440	1.1
59.47445	0.9
64.46073	0.9
71.01370	1.0
72.04528	2.1
77.34140	1.0
78.22285	1.0
82.02972	68.7
85.02945	9.2
90.09267	1.1
91.05516	1.9
92.19382	1.7
100.04031	100.0
101.02412	2.2
129.01929	6.7
147.52412	1.0
204.10275	15.6
215.09299	1.2
232.09799	15.0
249.69145	1.1
250.10829	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85357	1.1
82.02975	80.0
85.02949	9.9
91.05518	2.0
92.19376	1.5
100.04037	100.0
101.02449	3.9
110.75736	1.1
129.01909	7.7
204.10341	15.8
232.09799	13.0
250.10861	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30313	0.9
82.02975	70.3
85.02930	8.7
91.05488	2.2
92.19349	1.3
100.04036	100.0
101.02413	1.8
117.91938	1.1
128.03542	1.6
129.01941	7.5
173.70786	1.1
198.78558	1.1
204.10313	14.6
223.48181	0.9
232.09776	10.6
250.08212	2.0
250.10846	58.1
272.61978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1084
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
58.98101	0.9
72.04536	1.8
75.76184	1.1
82.02972	68.0
84.04554	1.3
85.02926	7.6
89.66754	1.1
100.04031	100.0
101.02414	2.2
128.03499	1.6
129.01947	7.2
132.02994	1.5
138.40054	1.2
204.10281	14.9
232.09752	12.9
250.10838	69.8
250.14549	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96243	1.2
71.01360	9.4
87.22517	1.4
88.04025	67.1
91.05521	8.0
93.94409	1.2
96.20427	1.2
114.01926	2.9
115.00365	21.1
126.51070	1.4
132.03008	100.0
134.06114	25.3
135.04500	6.6
162.09204	1.8
188.07191	1.7
206.08174	14.3
250.07222	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59834	0.9
66.94450	1.2
72.04534	1.3
82.02973	67.6
85.02936	10.2
86.12057	1.2
91.05518	2.3
100.04034	100.0
101.02469	1.9
128.03458	1.4
129.01910	5.1
148.99002	1.1
150.45567	1.0
204.10246	15.7
232.09810	13.7
250.10826	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1085
Annotation	Rigidiusculamide A
Peak:m/z	Relative Intensity
63.08166	0.5
113.76143	0.5
121.02925	0.7
133.02934	7.8
134.03728	20.7
135.04504	14.2
137.02434	4.1
139.04016	0.7
148.05301	0.8
161.02428	34.6
175.41238	0.4
175.93362	0.4
178.02686	3.4
179.03488	11.2
180.80170	0.5
250.10844	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	250.0719
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
55.56304	1.4
65.03983	1.7
65.97381	1.4
66.34843	1.3
79.50376	1.4
84.04526	1.6
85.02864	1.5
93.03442	66.9
100.04025	2.4
104.82967	1.9
106.06638	2.9
117.06987	1.8
120.04575	2.9
121.02936	100.0
122.06100	1.8
126.05542	6.5
135.04517	3.2
136.03966	2.1
136.04863	3.6
150.05615	13.8
150.06610	1.5
159.75954	1.5
160.07649	1.6
164.03531	33.5
168.16570	1.4
170.06131	2.2
178.08687	10.7
188.07132	8.5
204.53125	1.5
206.08232	36.8
232.06250	2.6
250.07204	83.4
250.12642	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99647	1.5
56.05622	1.7
63.26447	1.7
67.01915	1.9
70.62846	1.8
74.57540	1.5
84.04498	3.1
85.02901	2.0
92.19930	2.9
93.03441	56.1
94.02903	1.7
95.01379	3.7
100.03999	3.7
106.06592	2.1
120.04534	7.4
121.02074	3.5
121.02937	100.0
122.06103	2.0
126.05582	4.3
128.40288	1.8
131.98766	1.7
136.04027	7.3
150.05573	17.7
155.61928	1.8
164.03519	32.5
170.06078	2.7
178.08676	16.5
188.07126	13.3
206.08150	40.6
232.06128	2.1
250.07202	98.4
250.12560	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17463	0.3
58.02977	5.1
59.01360	0.4
71.01366	5.1
74.02438	0.5
88.04022	68.5
91.05511	6.6
114.01949	3.8
115.00349	15.0
127.05126	2.0
128.05496	1.4
130.06107	0.4
132.03008	100.0
134.06120	4.5
135.04495	4.1
164.07172	2.4
190.81752	0.5
206.08192	6.6
232.11687	0.4
245.73506	0.4
250.07205	17.2
250.12691	4.2
269.53345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15628	0.9
53.77797	1.1
57.02608	0.8
58.02689	1.9
58.02977	51.1
59.01385	1.9
65.07257	0.9
70.02973	6.8
72.00890	1.8
77.01678	1.0
88.04031	15.2
91.05524	16.2
105.65694	1.1
115.00373	2.6
132.03012	25.2
135.04532	1.6
147.04510	22.4
164.07170	100.0
206.08221	57.8
250.07214	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	250.0718
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
57.89449	1.0
60.21835	0.9
71.01377	11.6
74.88657	1.1
91.05514	6.1
92.20014	1.8
99.01636	1.1
103.13485	1.1
115.00357	22.4
134.06108	100.0
135.04515	20.5
144.08167	1.5
162.09224	11.3
188.07159	14.4
206.08241	36.0
219.03746	1.0
232.06041	1.9
250.07201	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31016	1.1
71.01372	12.9
91.05537	6.1
108.95577	1.2
115.00355	22.6
133.58379	1.2
134.06111	100.0
135.04518	25.0
144.08179	1.8
162.09216	12.0
164.07126	2.1
164.46249	1.1
188.07178	12.6
206.08208	34.6
232.06219	2.5
250.04803	2.2
250.07207	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
57.71033	2.3
61.75745	2.2
62.62659	1.9
62.66461	2.5
63.17303	2.3
63.42221	2.4
65.91089	2.1
67.06293	2.3
126.76612	2.4
135.04495	2.5
144.43018	2.8
205.15886	4.8
249.12405	13.5
249.14938	13.2
249.18590	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	250.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42166	0.5
57.10081	0.7
74.89156	0.6
87.50838	0.6
89.98636	0.7
135.04509	3.4
147.03297	0.9
150.05682	0.8
153.67964	0.8
160.04033	41.1
162.04208	1.0
162.05585	23.2
162.06865	1.5
163.02733	4.1
163.03976	3.0
164.03520	8.3
170.63896	0.9
178.05070	0.8
188.03525	46.0
189.04234	0.8
191.02242	50.6
204.03044	0.9
205.03815	9.8
206.04579	100.0
250.03575	3.0
250.12823	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	249.1495
Annotation	Hirsutenol C
Peak:m/z	Relative Intensity
51.37492	1.7
54.73193	1.9
57.03439	3.0
69.03426	1.7
83.05013	100.0
107.05046	2.3
109.06564	4.4
111.04511	2.6
113.12406	2.7
119.08634	4.6
123.08163	10.8
135.08150	3.4
149.09671	9.7
153.09210	10.9
159.11740	2.7
161.09673	8.4
175.11261	8.4
179.10672	3.4
187.11284	25.6
201.12827	15.3
203.14464	3.1
205.12405	2.7
213.12830	20.8
216.11545	2.7
219.10597	2.3
219.13890	57.5
221.15428	5.1
231.13885	87.0
249.12468	3.8
249.14912	40.6
253.67375	2.4
260.47580	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	249.1857
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
59.01374	4.2
69.42316	1.0
71.37067	1.1
88.80732	1.1
93.46189	1.4
94.73666	1.1
205.15965	53.0
249.14946	100.0
249.18565	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1859
Annotation	Scortechterpene A
Peak:m/z	Relative Intensity
56.78213	9.1
76.54073	9.1
77.48148	8.5
135.04524	20.8
187.73271	10.7
191.10762	23.6
205.15845	11.2
216.08833	10.2
249.12305	61.7
249.14963	73.5
249.18602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1244
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
58.02972	1.9
60.33586	1.6
74.02460	6.7
74.34415	1.6
82.03020	1.7
84.04536	7.9
86.02458	2.9
91.05520	18.0
99.05624	10.0
101.07203	2.8
109.04082	24.4
127.05118	93.0
128.03522	16.0
135.04449	2.4
136.04828	3.4
143.28328	1.7
155.53812	2.0
162.03291	1.8
171.03058	1.7
204.04260	2.2
205.13539	2.5
214.35008	1.7
231.11369	9.4
249.12450	100.0
263.48294	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1493
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
52.27100	12.4
59.01361	16.2
59.95948	11.8
77.87608	11.6
90.44965	13.9
135.04492	22.4
136.16965	13.4
145.44444	13.1
153.84703	14.6
203.99463	14.1
217.28027	12.8
249.12408	63.2
249.14944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15339	0.4
73.30511	0.5
135.04515	55.9
148.05299	0.9
178.05124	0.7
207.11400	7.5
249.12444	100.0
263.47842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1244
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
54.38079	0.4
56.58886	0.5
63.92242	0.5
63.99078	0.5
105.05866	0.5
107.05025	0.7
135.04510	65.0
176.01112	0.5
207.11333	7.3
236.30649	0.6
249.12431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01506	0.4
70.19225	0.5
75.90548	0.5
77.30184	0.6
83.55874	0.6
88.47668	0.6
110.78398	0.6
135.04510	66.3
148.05278	1.0
154.71233	0.6
171.83081	0.6
200.04227	0.7
207.11362	6.6
211.48137	0.6
249.12430	100.0
251.52637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34797	0.4
54.20982	0.4
54.50269	0.4
59.35525	0.4
59.74300	0.4
63.77804	0.4
66.96391	0.4
72.63007	0.5
79.61591	0.5
82.02967	0.7
84.04539	4.8
119.05024	3.9
128.03510	2.2
135.04512	100.0
136.07680	3.6
140.11603	0.6
204.10257	0.6
238.58337	0.5
248.06956	0.7
248.09308	16.3
248.11900	1.2
258.15369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1165
Annotation	CHEBI:83078
Peak:m/z	Relative Intensity
87.00856	0.5
91.76099	0.5
159.08527	2.8
161.10040	100.0
245.82436	0.4
249.11649	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	248.0927
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
52.59509	0.6
53.38102	0.5
59.71671	0.6
66.28851	0.6
71.27439	0.6
71.99636	0.6
72.04532	3.4
72.14455	0.8
82.02972	27.7
84.04535	17.0
91.05521	3.8
98.02460	1.6
100.04031	17.7
100.45689	0.7
119.05022	13.9
122.66329	0.7
126.20754	0.7
128.03488	5.5
135.04517	100.0
136.07666	9.5
202.08704	6.4
204.10274	3.7
248.09285	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40739	0.7
55.26764	0.7
72.04529	5.0
80.21209	0.7
82.02971	100.0
84.04525	3.7
91.05518	10.5
97.28025	0.8
98.02457	9.9
100.04031	59.7
119.05009	3.8
123.18401	0.7
127.51171	0.8
135.04510	1.9
136.07658	1.8
148.23111	0.9
202.08745	19.2
204.10287	1.0
248.09254	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1702
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
62.14721	0.8
70.10151	0.8
70.16842	1.1
72.99307	1.0
75.43698	1.0
132.98146	1.3
151.62097	1.1
175.07663	1.4
186.95544	1.8
190.09996	100.0
191.10884	1.4
247.17030	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1703
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
52.41997	0.6
60.48284	0.6
66.90072	0.7
68.09589	0.6
68.85624	0.7
69.04293	0.7
69.95968	0.7
74.72473	0.6
83.91279	0.6
111.76442	0.7
208.38188	0.7
220.29054	0.7
247.17021	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	247.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.4
66.15310	1.0
111.08147	23.6
121.64011	1.0
139.11290	45.7
139.44298	1.0
143.07060	1.0
149.09692	4.2
155.10760	12.4
159.48036	0.9
167.10799	9.5
173.08168	19.5
183.10181	1.1
185.11832	36.0
201.11334	17.8
211.09796	7.8
229.10803	17.1
247.11861	100.0
268.16669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1184
Annotation	oscr#9
Peak:m/z	Relative Intensity
51.44450	0.5
55.86872	0.6
57.03450	0.6
59.01373	1.5
69.06016	0.7
71.05018	3.5
72.99294	1.4
77.86576	0.6
83.05022	8.8
85.06580	7.2
97.06559	0.9
99.04533	1.6
110.69436	0.7
117.03737	0.9
117.05582	0.9
127.11248	1.3
129.05548	3.6
137.09749	0.9
138.05602	3.8
139.11230	4.7
145.05058	1.5
149.09691	1.0
154.40283	0.6
155.10719	1.0
157.12340	2.9
159.06564	0.8
163.86987	0.6
165.09387	0.8
167.10751	13.9
183.10269	12.9
185.11815	4.0
193.08592	1.4
201.11327	33.8
203.12761	0.8
211.09807	4.3
229.10799	64.3
245.10378	0.8
247.11867	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	247.1087
Annotation	Abbeymycin
Peak:m/z	Relative Intensity
50.36831	0.3
55.14182	0.4
69.33111	0.4
75.79185	0.4
108.44994	0.4
117.03805	0.5
164.35004	0.4
167.03630	0.4
175.02734	34.2
176.03519	24.3
187.57152	0.4
247.10867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1134
Annotation	Securitinine
Peak:m/z	Relative Intensity
51.49121	1.4
58.54955	1.6
75.81334	1.4
89.06177	1.8
89.15783	1.7
91.05518	49.2
98.06103	25.0
110.06105	8.2
118.06630	12.4
142.06619	6.9
147.04514	34.1
164.07118	3.3
178.47662	1.4
202.12422	16.5
204.06691	3.6
246.11372	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	247.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20942	0.4
53.62965	0.6
59.78424	0.5
66.03931	0.5
88.10693	0.5
88.70130	0.6
106.36886	0.6
111.80735	0.5
117.03780	0.9
175.02734	39.4
176.03511	28.4
176.05038	0.9
212.10284	0.5
243.61392	0.5
247.10866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02951	0.8
59.01373	7.6
63.92087	0.5
71.83400	0.6
72.99303	2.5
74.02455	2.4
78.53531	0.6
81.56020	0.5
116.03551	0.6
116.05018	3.3
142.06609	100.0
143.51578	0.6
158.06100	12.6
182.65158	0.7
186.05598	27.6
194.12335	0.6
204.06660	49.7
204.08525	3.6
246.09584	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	245.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58133	1.1
55.39409	1.3
57.10849	1.1
58.02965	7.0
59.01376	36.3
70.02965	5.3
72.04559	1.3
74.02464	28.9
76.63658	1.2
85.02929	17.9
88.41663	1.1
98.02449	8.9
99.08160	2.0
116.03521	8.7
116.05047	11.5
127.11234	1.7
129.09213	2.3
139.11285	2.7
141.09207	1.6
142.06490	1.9
142.68878	1.3
143.15697	1.4
157.12297	19.8
159.09198	2.1
165.81284	1.3
183.13885	3.0
185.11807	87.9
201.10312	2.8
203.08229	33.6
203.12883	100.0
227.99324	1.2
245.09323	23.7
245.13837	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	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93262	0.8
57.03432	1.5
59.01362	1.9
66.45042	0.9
66.65112	1.0
67.98794	1.1
72.99319	1.2
73.02925	1.8
83.05019	2.4
92.19409	1.3
97.37426	1.0
125.09668	9.9
127.11279	14.6
137.09671	9.1
139.11270	5.0
147.08116	1.6
155.10764	93.2
165.09113	1.3
181.08780	1.6
183.10281	9.5
199.09709	2.3
201.11322	54.6
227.09227	9.1
245.10297	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	245.1027
Annotation	Jioglutin D
Peak:m/z	Relative Intensity
54.16134	1.1
59.01372	5.2
61.17663	1.1
68.49071	1.1
74.02441	1.2
83.05016	2.1
96.00152	1.5
97.06570	2.2
99.00652	1.2
111.04485	1.7
125.09710	8.1
127.11261	19.9
137.09743	6.8
139.11246	2.0
155.10760	88.6
165.09157	1.8
183.10237	4.6
187.06123	6.1
191.55391	1.1
199.09621	1.5
201.11327	57.5
227.09134	10.9
245.10289	100.0
247.26680	1.2
264.03064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09812	0.7
59.01379	12.3
62.18898	0.8
72.99310	1.4
74.02440	1.1
75.00862	5.5
86.31380	1.1
92.19312	1.9
111.08088	1.1
113.02422	1.0
123.08102	6.8
127.01933	0.9
127.11265	2.1
139.11282	1.7
141.09203	100.0
151.27054	1.0
155.10722	8.4
157.08679	14.8
183.10295	4.6
185.08162	15.9
189.27853	1.1
201.11339	7.6
203.09261	80.6
227.12889	1.2
237.30563	1.0
245.10298	25.5
245.13980	5.9
250.17908	0.9
256.68216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48763	0.8
58.02687	1.3
58.02975	26.4
59.76553	0.9
64.98644	1.0
70.02961	12.3
72.00908	1.5
72.04536	6.1
73.22297	1.0
74.02462	100.0
76.24017	1.1
97.48103	1.1
98.02464	26.5
116.03526	26.1
116.05037	31.9
119.44279	1.0
130.06598	2.5
138.09480	1.3
139.53941	1.0
142.06631	7.2
159.09247	11.5
183.09189	1.7
186.05576	2.5
201.10326	8.5
203.08266	98.9
245.09306	66.2
245.11859	1.8
250.83080	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	244.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10194	1.7
68.05038	2.2
77.23253	2.0
95.86658	2.4
96.04504	3.1
115.25964	2.4
121.06578	4.2
137.72058	2.3
147.04532	2.9
148.04062	12.8
152.45998	2.3
160.04001	11.1
161.03517	4.4
161.04802	100.0
172.05350	3.0
173.04808	3.2
174.05513	2.9
186.05484	5.4
187.06381	9.3
201.09203	11.8
202.08714	41.3
212.62221	2.2
214.04991	2.7
215.05791	4.4
216.10229	3.5
226.08652	4.3
229.07433	11.5
244.09814	99.7
248.61029	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	244.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21632	0.8
59.01379	23.9
64.37118	1.0
66.45405	0.8
85.02939	28.0
128.10802	9.1
129.01933	3.9
140.10783	9.1
154.08693	2.2
156.10275	42.3
184.09772	100.0
200.09427	1.1
202.10849	86.9
220.02553	1.1
244.08910	1.6
244.11914	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	244.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.6
60.39656	0.9
67.61809	1.2
85.02938	24.8
85.73177	0.9
116.63537	0.9
128.10834	8.8
129.01926	2.0
140.10805	11.5
154.08763	1.1
156.10269	40.5
184.09779	100.0
202.10846	84.2
204.90956	0.9
244.11914	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	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
56.62874	1.4
58.02975	24.2
60.28969	1.5
70.02963	12.7
71.90560	1.6
72.00903	2.8
72.04542	6.5
74.02465	100.0
74.96857	1.4
75.52346	1.5
83.81564	1.7
98.02456	26.7
114.23074	1.8
114.24088	1.4
116.03542	30.1
116.05035	29.8
127.88883	1.5
142.06635	6.7
142.27879	1.6
142.54762	1.5
159.09259	9.0
183.09294	1.9
186.05630	1.9
201.10352	8.2
203.08275	97.9
245.09293	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0977
Annotation	Pyrrolezanthine
Peak:m/z	Relative Intensity
50.49834	2.1
50.57326	2.1
50.92403	2.0
51.18872	2.0
56.42986	2.5
59.09756	2.6
84.12155	2.5
96.48832	2.2
109.01679	2.9
117.65998	2.6
121.06573	5.4
124.26492	2.5
147.04510	4.1
148.04031	11.5
157.20323	3.3
160.04005	14.0
161.04807	100.0
162.05643	3.6
186.05568	2.5
187.06363	9.7
201.07712	4.7
201.09241	12.5
202.08723	33.5
215.05711	3.1
216.10307	4.4
218.76752	2.6
226.08675	3.4
229.07410	12.4
236.00131	2.6
244.09827	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1964
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
51.86744	1.1
54.08619	1.3
59.01375	100.0
65.47356	1.2
97.74899	1.4
102.60050	1.5
106.90172	1.3
121.92921	1.4
135.01941	1.5
204.81241	1.3
210.48854	1.3
243.19633	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1965
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
52.76188	1.5
59.01385	3.2
72.64056	1.9
75.10339	1.5
92.13007	1.7
188.57892	1.9
195.17494	2.9
197.19125	96.7
232.09027	2.3
243.19662	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	244.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80369	2.2
57.64433	2.5
63.76400	2.3
76.27780	2.3
82.90877	3.2
93.13686	2.4
96.04532	4.4
102.53045	2.7
121.06580	5.8
147.04446	3.1
148.04063	10.5
154.13202	3.1
160.04044	13.9
161.04814	100.0
173.04808	4.5
174.05513	3.0
187.06277	5.6
201.07767	4.2
201.09369	4.1
202.08807	39.6
215.05792	3.5
226.08588	3.4
229.07481	13.6
244.09837	91.5
244.12640	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	243.1601
Annotation	Sarmentoic acid
Peak:m/z	Relative Intensity
53.62064	1.8
58.00594	2.1
65.87450	2.6
69.51305	1.8
72.77068	2.0
87.00862	2.7
95.66736	2.2
97.06571	3.6
99.08147	53.7
106.87062	2.0
111.08091	2.1
113.06079	56.0
113.09658	2.6
127.07594	14.5
128.08408	4.5
128.91223	2.1
129.09203	62.8
133.03328	1.9
143.10748	4.5
163.14867	10.9
179.14423	10.2
181.15939	10.2
197.15468	25.7
225.14862	2.2
243.16008	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	243.1962
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
51.26038	0.6
57.18400	0.6
65.44054	0.5
68.64793	0.6
118.49659	0.7
176.50600	0.8
197.19081	3.7
225.18553	3.1
241.18254	1.0
243.19629	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	243.16
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
57.88834	0.7
59.01382	1.7
87.00864	1.3
91.13519	0.7
93.21853	0.8
100.22262	0.8
145.17093	0.8
145.28227	0.8
153.12730	0.9
181.15971	58.1
199.17099	1.0
225.14955	90.4
243.15996	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	243.16
Annotation	TRIDECANEDIOIC ACID
Peak:m/z	Relative Intensity
58.00578	3.0
59.01360	2.2
73.02910	2.2
87.00877	2.4
91.28024	1.8
92.19994	3.4
96.22451	1.4
97.06577	3.5
99.08147	60.2
99.98987	1.5
111.08136	3.7
113.06071	51.7
113.09682	7.1
125.09715	4.2
127.07644	13.0
128.08452	2.6
129.08215	2.7
129.09204	81.5
143.10733	6.5
163.14896	20.1
179.14409	9.2
181.15961	20.2
197.15558	15.3
199.17079	3.3
225.14923	6.2
241.07681	1.8
243.15994	100.0
253.41479	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	243.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05314	3.3
52.36387	3.2
58.73152	3.1
84.68688	3.5
87.41859	3.6
88.88885	5.1
92.20013	7.0
114.45188	3.6
127.52056	3.9
144.93340	4.0
211.13416	5.2
243.16028	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	243.1599
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
59.01363	5.2
60.46640	4.1
66.57976	5.0
69.33144	4.9
69.35350	4.1
73.18134	4.8
103.89337	4.8
106.95730	5.7
171.95290	4.4
198.39589	5.8
208.15688	5.0
226.03813	4.7
243.15988	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.24632	0.6
59.01377	10.3
65.00445	1.3
70.90697	0.8
79.66545	0.8
88.10812	0.8
97.02944	1.3
99.00857	1.5
110.03723	0.9
125.09686	3.3
126.82937	0.7
127.11275	0.8
139.11255	4.4
153.12782	1.5
155.10719	1.5
163.11272	5.4
165.09239	0.9
181.12328	34.6
183.10231	9.0
187.69023	0.9
197.11853	1.1
199.13358	5.1
201.09518	1.2
201.11327	28.3
207.10252	36.0
215.12865	4.1
225.11310	100.0
243.12347	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
51.51561	1.5
54.53971	1.6
60.86369	1.7
63.24535	1.8
69.63363	1.7
82.54736	1.8
85.48690	1.9
88.97895	1.6
96.36893	1.6
99.00859	12.1
105.10445	1.7
112.52517	1.6
125.09719	2.5
134.70145	1.7
163.11278	3.6
181.12347	19.7
199.13431	36.8
207.10263	30.3
225.11337	64.0
243.12352	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	243.1025
Annotation	Mansonone G
Peak:m/z	Relative Intensity
63.45126	0.5
73.62325	0.4
80.32271	0.4
122.68558	0.5
160.05293	0.5
185.06044	0.7
186.06790	2.0
187.04004	0.9
200.08366	1.1
201.05515	1.7
213.05566	2.2
214.06348	100.0
215.10793	1.0
228.07945	14.5
243.10245	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47820	3.2
59.01360	3.0
61.16506	2.9
71.45799	3.1
96.77659	2.8
99.00864	24.0
99.84165	2.8
125.09663	10.8
153.12871	3.6
163.11214	14.4
181.12355	30.9
190.37712	3.2
199.13354	25.5
201.11417	3.4
207.10254	62.3
213.48921	2.6
225.11313	100.0
243.12366	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71380	1.1
59.01379	29.9
59.63956	1.4
83.52755	1.3
85.02937	20.5
87.00861	7.5
93.03496	1.5
101.64748	1.4
111.07444	2.8
111.08146	50.9
115.06156	1.3
130.08684	12.2
137.02451	1.5
137.09727	1.9
139.07637	70.8
155.07179	2.2
155.10721	6.7
157.08690	100.0
157.13431	19.3
181.08809	1.9
183.06645	15.4
183.10359	2.7
199.09808	7.1
201.07704	73.8
243.08719	32.1
243.13353	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	243.087
Annotation	Tensyuic acid F
Peak:m/z	Relative Intensity
50.72337	1.2
57.03434	3.4
59.01377	26.6
68.68205	1.3
69.03453	2.0
71.05007	2.1
72.99289	3.7
73.25929	1.5
83.05003	6.2
83.47609	1.5
85.02934	10.2
87.00847	29.4
87.04482	1.8
93.03435	7.5
97.06571	8.5
111.04504	3.0
111.08128	22.5
115.03990	2.3
119.04999	14.8
123.08129	6.5
125.09706	33.7
127.11270	32.0
130.08685	2.2
135.08112	2.0
137.02400	7.1
137.09723	8.4
137.90974	1.6
139.07643	36.0
153.09212	9.0
155.03468	2.4
155.10753	31.9
157.08682	42.0
163.04012	12.9
171.10275	7.5
181.08748	7.6
183.06657	3.4
183.10226	7.4
199.09753	49.7
201.07706	25.1
201.11310	27.1
225.07655	5.9
240.51976	1.5
243.04965	7.3
243.08725	100.0
243.12282	14.6
243.17101	1.9
264.94495	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	243.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06677	1.3
61.05798	1.4
70.15160	1.4
71.68533	1.4
72.77299	1.5
81.03450	2.7
83.05016	7.6
87.00862	100.0
93.03447	32.1
101.84299	1.4
110.62418	1.4
111.04504	11.4
119.04987	2.1
137.02432	32.7
155.03444	7.4
155.07021	2.0
163.03929	2.0
243.05045	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0619
Annotation	Uridine
Peak:m/z	Relative Intensity
50.41516	1.4
50.74817	1.4
66.03476	8.4
71.45037	1.3
82.02976	22.1
83.58049	1.7
87.00852	8.6
94.03011	1.9
108.04490	1.9
110.02454	100.0
111.01984	8.7
122.02455	6.7
124.04015	3.0
140.03522	10.4
152.03503	16.6
153.03017	8.7
199.22551	1.3
200.05624	37.8
226.27205	1.6
242.09192	1.4
243.06238	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	243.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09592	0.6
59.01378	1.1
65.03957	1.4
66.45753	0.8
76.42771	0.7
77.65697	0.6
81.03444	1.8
83.05016	9.6
87.00863	100.0
93.03442	27.0
99.72114	0.7
111.04499	12.6
121.02912	1.2
127.03981	0.8
137.02432	27.2
155.03474	5.9
155.07033	0.9
199.06161	1.7
243.05078	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50502	0.4
55.01881	0.5
59.01382	2.0
65.03948	1.1
65.30813	0.5
67.01884	0.9
69.03436	0.8
81.03447	2.5
83.05020	11.0
87.00859	100.0
93.03438	33.9
94.44508	0.6
109.02950	0.5
111.04498	13.4
121.02936	2.2
123.73781	0.6
127.04004	1.1
137.02434	31.7
137.09811	0.6
139.07625	0.7
155.03500	5.7
155.07098	1.0
166.02744	0.5
176.29718	0.5
181.08675	3.3
198.84216	0.5
199.06099	3.8
225.04042	1.0
243.05081	52.8
243.08620	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	242.1761
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
50.01329	0.7
50.46474	0.7
83.99352	0.7
91.26786	0.8
97.38157	0.8
126.88454	1.0
135.32698	0.9
181.15985	43.8
224.16589	8.6
225.14972	56.0
242.17619	100.0
243.16054	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	242.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75415	0.7
55.30232	0.7
59.01389	0.8
60.38564	1.0
70.02973	0.9
71.01395	7.4
78.13081	0.9
80.69308	0.9
86.50557	0.8
88.04028	49.7
96.99316	7.3
98.22610	0.9
114.01953	6.4
115.00349	27.5
121.55267	0.9
126.09232	100.0
127.07630	41.2
142.27393	0.8
152.10780	1.9
170.12578	1.4
180.10310	5.4
198.11356	51.4
224.09291	9.9
242.10338	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01362	9.7
72.46244	0.9
88.04026	41.9
96.99294	8.8
114.01978	3.2
115.00342	27.6
126.09225	100.0
127.06707	1.5
127.07634	32.7
152.10858	1.5
180.10292	5.5
198.11334	47.0
198.13094	1.8
224.09221	8.3
242.10338	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1809
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
53.07575	0.9
59.01370	1.7
59.03047	1.0
60.28055	0.9
61.80486	1.0
64.08729	0.9
79.62080	1.1
83.79998	1.0
88.59800	1.0
111.08132	1.6
111.18523	1.1
115.07624	5.0
127.11250	4.3
143.07202	1.2
148.16635	1.1
197.19104	6.9
241.18089	100.0
246.17889	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	241.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21888	0.5
55.14623	0.4
63.18195	0.5
67.76041	0.5
87.72694	0.6
94.49654	0.5
99.08164	1.2
102.33461	0.6
109.98806	0.6
139.11258	2.3
140.79222	0.5
197.19048	3.8
235.03458	0.7
237.84740	0.6
241.18088	100.0
244.00659	0.6
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	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.18515	4.7
59.01367	12.3
92.20010	10.3
111.02750	6.6
163.11195	6.2
165.12820	24.6
168.67398	5.6
181.12364	10.4
194.13792	6.0
194.32375	5.5
201.03865	6.5
209.11848	100.0
226.12061	10.3
241.14421	53.0
241.17937	7.9
241.21820	9.8
262.18787	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	241.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50967	1.0
59.01377	1.0
66.81922	1.0
69.21576	1.2
83.05019	8.1
84.29942	1.2
87.00870	1.6
94.57820	1.3
100.07676	44.6
100.82628	1.1
101.06069	100.0
109.18375	1.1
112.07661	18.6
123.05339	1.5
143.63858	1.2
168.13951	1.5
172.77614	1.3
183.74760	1.2
195.15024	27.7
196.13419	30.2
197.11803	3.0
198.06789	2.7
213.16060	36.7
221.46365	1.4
241.07321	8.6
241.10770	4.9
241.15573	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	241.1445
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
59.01373	6.5
69.03438	3.9
105.57733	3.4
107.11332	3.9
110.93680	2.6
111.08067	4.9
113.19257	3.2
165.09158	6.2
165.12889	4.9
179.14334	5.8
181.12399	7.0
197.11848	7.3
209.11809	30.3
211.13211	4.1
223.13397	15.6
241.09027	19.1
241.14449	100.0
241.21715	13.4
243.27745	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	241.1444
Annotation	Annuionone F
Peak:m/z	Relative Intensity
55.33301	0.9
55.89730	1.3
57.03439	5.0
59.01381	2.3
63.08304	1.1
71.05016	2.8
79.07380	1.1
82.29579	1.5
85.06579	1.5
86.43005	1.1
88.62482	1.2
97.06552	1.9
111.08128	1.3
169.12367	2.1
179.14409	52.8
179.15897	2.5
181.12358	1.4
197.15475	6.1
223.13379	77.5
241.14459	100.0
241.21686	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	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
62.00086	1.1
79.84947	0.9
107.72515	1.0
120.09717	1.0
152.38913	1.1
169.12329	100.0
187.26025	1.1
197.11824	16.8
202.61523	1.0
241.10814	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	241.0869
Annotation	Pterophyllin 1
Peak:m/z	Relative Intensity
59.01367	32.9
61.98810	12.1
80.81429	5.2
86.79135	5.9
101.22720	5.6
110.55746	6.1
145.78386	6.8
165.12805	7.7
182.07365	100.0
187.65242	7.9
197.09721	87.1
241.08627	85.9
241.21666	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	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17377	0.5
59.01377	0.8
73.02943	0.7
87.00855	0.9
113.48531	0.5
151.11288	3.0
169.12328	100.0
170.63559	0.6
179.10759	0.7
180.79868	0.6
197.11835	18.0
205.08669	0.7
212.14096	0.6
241.10800	32.3
241.21654	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	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
50.91361	0.5
57.03427	0.5
64.79702	0.7
69.03465	2.1
71.05009	4.6
83.38670	0.6
99.87998	0.7
100.47060	0.7
125.09721	2.9
153.12834	3.5
172.65823	0.6
179.10768	6.5
197.11829	100.0
223.09702	2.7
241.10823	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04092	12.4
66.06163	1.5
69.69078	2.0
82.04100	31.7
101.02419	7.2
111.08131	3.0
122.07250	3.8
132.02985	2.2
139.07622	17.8
140.08313	3.5
157.08678	100.0
158.02571	1.6
198.11243	3.2
226.54271	1.8
240.11110	3.6
240.13547	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77998	1.5
51.91242	1.4
57.03448	26.7
58.04102	47.2
62.65252	1.6
63.40073	1.6
70.11211	1.6
76.25776	1.9
82.04096	31.3
92.19922	2.5
96.22451	1.7
97.06566	4.2
105.70968	1.7
110.02450	4.4
113.09702	14.2
121.07699	9.8
138.10350	19.5
139.07668	3.7
155.25740	1.8
156.05318	1.8
157.08688	75.1
157.09897	2.6
196.14618	2.4
240.13544	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	241.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73549	1.9
59.01373	2.1
59.57666	1.7
62.19973	1.7
64.17427	2.3
65.82246	2.1
67.57804	2.0
75.59461	2.0
78.95906	2.9
80.15453	1.9
91.77493	1.7
92.19415	3.1
96.05824	2.0
103.00362	3.1
105.03442	2.3
109.02916	14.5
110.02415	2.3
123.04500	16.7
133.02946	4.1
137.02446	100.0
139.03992	28.5
149.02441	2.6
151.03969	4.7
153.14951	2.2
155.02217	2.3
155.03494	70.3
165.01912	8.0
167.03513	37.8
177.01898	28.5
181.01431	25.3
193.01405	3.9
195.02995	60.9
199.02304	2.1
211.05170	2.3
213.04102	2.2
223.02441	29.4
241.01321	4.7
241.03526	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04095	12.0
65.26859	2.0
71.19920	2.0
79.38080	2.0
82.04089	36.9
89.27104	2.2
101.02444	15.5
110.02443	9.1
121.06602	2.5
122.07198	12.7
126.13873	2.8
132.03036	4.6
132.44322	2.3
139.07626	21.7
157.08684	100.0
161.10844	2.8
163.40706	2.6
178.13443	3.1
198.11264	3.9
222.12489	2.6
240.13533	88.0
261.34909	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	240.1352
Annotation	Leuhistin
Peak:m/z	Relative Intensity
57.91382	1.0
58.04100	2.2
62.54486	1.1
68.10436	1.1
72.04543	2.4
88.04052	1.4
92.19341	2.3
94.57944	1.1
100.17374	1.2
108.05663	5.6
110.02479	2.9
111.08151	2.6
113.96363	1.2
115.00365	2.0
116.54547	1.1
120.24144	1.2
124.03979	4.8
138.09212	6.0
139.07642	5.1
140.10797	2.2
147.71883	1.3
149.90108	1.2
152.10806	23.8
157.08711	6.3
168.10280	6.8
176.10577	1.8
176.11925	10.8
179.75470	1.1
194.12982	33.9
194.14618	2.0
196.06102	2.8
197.12967	8.9
217.82268	1.2
239.07605	1.3
240.05070	4.2
240.13536	100.0
241.74507	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	240.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04093	6.8
59.01367	2.1
68.39518	0.8
71.05010	21.6
80.67619	0.9
82.04092	10.4
83.04984	3.2
85.06558	1.3
87.04500	4.0
96.30692	0.8
103.59685	0.9
110.02488	7.7
111.08154	1.2
113.09700	4.5
135.05615	4.1
139.07634	7.2
155.07101	1.8
157.08684	100.0
178.13455	1.8
195.20219	0.9
196.14540	2.0
198.11313	7.5
222.07494	1.0
240.13541	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0514
Annotation	N-(2,3-Dihydroxybenzoyl)-L-serine
Peak:m/z	Relative Intensity
52.43700	1.0
53.33923	0.9
59.01375	1.2
65.02936	1.1
71.01366	15.9
81.03446	17.6
88.03994	2.5
104.02831	1.2
104.68446	1.1
110.02476	5.1
110.52448	1.2
114.73206	1.1
115.00351	33.3
124.04028	100.0
125.02422	20.3
132.03001	4.4
134.06108	1.7
141.95293	1.2
149.72665	1.1
152.07170	2.5
178.05013	4.5
196.06139	49.6
205.32237	1.3
222.04060	4.7
240.05128	48.1
240.13535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83446	1.3
59.01379	15.5
90.11115	1.6
127.71754	1.7
162.62439	1.9
177.05418	1.8
177.12843	22.2
179.03397	2.9
179.05609	6.5
181.15855	2.1
184.80588	1.8
187.68405	1.7
195.13902	100.0
229.14949	1.9
239.05589	2.8
239.12875	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	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01380	12.6
66.91319	0.9
68.06373	1.0
69.35406	0.9
88.30712	1.1
100.05050	1.0
107.05012	1.8
107.11482	1.1
121.47922	1.1
124.12511	1.1
133.06537	1.7
149.06075	4.2
177.05533	4.7
177.12823	4.5
179.03452	8.7
179.05586	5.6
195.06747	1.2
195.13904	100.0
213.17616	1.0
229.67093	1.0
239.05638	6.6
239.12961	10.9
239.16547	13.8
241.56004	1.0
259.98935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1652
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
59.01397	7.9
59.01631	1.1
62.78430	0.9
83.47971	1.0
87.00866	1.4
107.05009	10.4
111.32915	1.1
133.06580	5.4
149.06004	12.3
177.05579	11.2
177.12872	1.3
179.03517	21.4
179.05099	1.6
179.05676	1.4
183.13939	1.3
195.13896	13.2
213.70934	1.2
221.15401	1.7
223.02849	1.6
234.29199	1.1
239.05579	17.6
239.16531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99982	1.6
62.83994	1.5
66.26146	1.6
79.50777	1.5
84.80663	1.7
84.95212	1.5
87.00874	7.6
106.04224	2.4
107.05019	49.9
116.80591	1.7
118.86695	1.5
121.02936	3.8
133.06587	23.6
135.04515	3.2
142.26476	1.9
149.06070	55.1
177.05559	60.5
179.03494	100.0
195.06627	4.0
221.04556	2.4
239.05608	90.8
241.59950	1.7
242.69478	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	239.056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20995	2.1
87.00855	8.5
106.04229	2.6
107.05009	41.5
121.02943	5.5
123.45747	2.8
133.06592	21.7
135.04550	2.5
149.06052	52.6
177.05547	62.6
179.03485	98.1
195.06651	4.1
239.03175	4.1
239.05602	100.0
244.24690	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	237.1859
Annotation	Hanamyol
Peak:m/z	Relative Intensity
59.01381	12.1
59.13656	0.6
78.77750	0.5
80.82063	0.5
81.29898	0.6
81.96397	0.5
83.04987	0.5
83.14378	0.5
88.87499	0.7
103.49198	0.7
165.18037	0.6
197.73540	0.6
201.04092	0.5
219.17513	2.7
228.14244	0.8
232.94724	0.6
237.18591	100.0
240.37827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0559
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
51.30861	1.2
53.92862	1.3
59.01383	11.9
72.05139	1.3
79.87875	1.3
87.00858	11.9
93.03438	2.7
97.32674	1.6
106.04214	2.5
107.05011	40.4
108.02162	2.3
121.02921	5.3
123.04508	2.1
125.02353	1.5
133.06573	23.2
135.04489	5.2
137.02373	1.6
146.68689	1.5
149.06062	52.7
151.04015	2.2
151.08780	1.7
152.01093	1.7
165.01912	2.4
167.03450	1.8
177.05554	62.5
179.03482	94.9
179.05562	12.8
180.43098	1.5
193.01524	1.9
195.06622	8.3
239.05605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0561
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
51.81649	1.7
59.64510	1.7
65.49089	1.9
71.53511	2.0
87.00879	9.8
91.01929	2.7
97.09222	1.9
106.04264	3.9
107.05025	49.0
110.01410	2.0
110.81004	2.4
121.02941	7.3
133.06593	23.7
135.04544	4.3
135.41663	2.1
149.06075	62.9
176.20357	2.1
177.05548	62.2
179.03491	100.0
195.06607	9.5
198.10315	2.2
206.98907	2.2
212.47508	2.0
239.03206	3.2
239.05618	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0615
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
50.60567	0.5
51.00889	0.4
53.08417	0.4
57.03449	2.2
58.45422	0.4
59.01371	2.7
74.29904	0.5
75.00882	0.8
85.02921	2.5
87.00864	100.0
89.02399	0.6
107.23728	0.6
129.01932	12.7
130.44142	0.6
172.32631	0.6
237.06177	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	237.1496
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
55.70131	1.8
59.01378	59.7
68.30840	1.6
70.37573	1.9
74.24023	2.0
81.03436	2.1
82.99623	1.8
116.92853	3.5
123.08132	4.5
125.09654	13.4
137.09734	3.0
165.12827	13.4
175.40558	2.1
179.10782	19.5
193.15970	3.6
195.85173	2.2
219.13892	1.8
228.65157	1.8
237.14946	100.0
255.22737	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78432	1.3
57.03440	2.2
59.01368	7.4
62.53328	1.3
70.72013	1.4
71.01360	13.4
75.00872	1.6
78.03485	1.8
83.01336	2.1
85.02917	10.9
87.00861	100.0
101.02451	1.7
111.00832	2.3
115.00349	25.1
121.04060	95.6
121.04940	3.3
122.02476	17.9
129.01952	14.3
131.06113	2.2
141.93840	1.4
149.07201	9.2
175.05087	16.2
192.02686	1.4
193.06158	27.1
213.95485	1.4
219.04225	2.3
237.05075	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	237.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26667	0.3
51.10138	0.3
51.38051	0.3
52.82909	0.3
57.51925	0.3
59.01360	0.5
71.01378	8.2
72.88680	0.3
87.00863	2.3
93.40621	0.4
115.00352	14.3
121.04061	100.0
122.02469	6.6
131.06146	0.7
131.11766	0.3
149.06233	0.4
149.07256	5.1
149.98753	0.3
156.42180	0.4
175.05103	4.2
193.06180	42.9
223.43074	0.4
237.05176	24.2
256.35724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0404
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
59.01342	0.4
59.79344	0.4
119.04903	0.4
119.37119	0.4
123.04504	1.9
147.04526	0.6
149.05995	0.4
149.09744	0.6
165.05600	0.6
174.03195	1.7
175.03987	100.0
177.01892	8.8
180.32222	0.4
193.04961	0.7
219.02950	1.7
224.47818	0.4
236.94649	0.4
237.04044	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98193	0.9
71.01368	13.4
78.03487	1.7
79.72866	1.0
87.00851	14.0
102.44313	1.0
110.47707	1.1
112.83775	1.0
115.00362	25.2
119.08541	1.2
121.04061	100.0
122.02472	18.4
123.22777	1.1
147.05562	1.2
149.07202	11.0
175.05127	17.1
193.06180	30.6
219.04002	1.3
237.05164	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57006	0.7
64.77457	0.8
69.36510	0.9
71.01376	13.4
71.92675	0.9
73.30769	0.9
88.67228	1.0
96.87511	0.9
115.00356	25.0
120.04533	100.0
121.02942	19.0
130.06592	1.3
146.44313	1.0
148.07707	9.2
151.43713	1.1
164.07162	5.2
174.05617	13.8
177.81296	1.0
190.18555	1.0
192.06668	29.2
204.58115	1.0
218.04575	4.0
236.05649	38.2
250.27562	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	236.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32996	1.0
51.17889	0.9
51.71215	0.8
53.72833	1.2
55.48067	1.0
66.82552	1.0
69.73570	1.2
70.52995	1.1
71.01377	12.1
73.25645	1.1
75.11943	1.0
115.00345	29.9
120.04533	100.0
121.02940	18.5
148.07686	9.8
174.05573	15.2
192.06660	37.7
218.04536	4.2
220.11520	1.2
236.05620	38.0
245.39001	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	236.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50784	0.6
79.95731	86.9
83.03483	0.9
92.19970	2.2
126.12875	19.3
135.99533	0.8
171.32234	0.9
171.33702	0.9
172.13429	19.3
215.50047	0.8
221.44016	0.8
227.74634	0.9
236.09604	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	235.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96693	0.9
55.32003	0.9
59.01376	100.0
63.94223	0.9
84.78448	1.1
87.62422	1.1
92.19120	0.9
163.11267	33.1
175.96213	1.4
191.14380	11.5
217.12315	2.4
235.13405	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38591	0.9
66.45523	1.0
66.77020	0.9
71.01375	13.1
71.72948	0.9
115.00346	30.5
120.04531	100.0
121.02942	20.8
121.05701	0.9
130.06618	1.9
148.07649	11.3
174.05609	16.4
192.06665	38.2
218.04501	5.5
236.05652	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44815	0.7
54.58720	0.7
58.10353	0.7
59.01381	100.0
62.74955	0.8
85.11656	0.9
93.44701	0.9
113.28443	1.1
137.54085	0.9
138.53137	1.0
163.11285	35.2
174.58266	0.8
179.50340	0.9
191.14420	12.5
217.12346	1.9
235.13390	38.7
247.34483	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	235.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	16.2
57.03454	7.6
57.07474	1.9
59.01080	4.4
59.01376	100.0
63.49213	2.0
70.26605	2.0
71.01372	71.5
73.02927	36.4
73.06583	2.0
76.62262	1.8
83.01380	20.0
85.02943	57.2
86.00044	2.1
89.02419	3.4
95.01371	3.0
99.00848	10.4
101.02428	99.1
107.61678	2.2
109.43657	2.1
111.00854	3.3
113.02435	42.3
113.54829	2.3
145.13583	2.1
159.03011	3.5
161.04509	11.6
187.84140	2.4
212.33102	2.1
235.11879	16.9
259.06921	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	235.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.4
56.87522	1.6
57.03445	4.9
57.75499	1.7
58.00597	1.8
58.56927	1.7
59.01377	96.9
59.51475	1.6
59.59659	1.6
62.00530	1.7
71.01372	71.1
72.07011	1.7
72.99288	4.1
73.02939	46.0
82.57031	1.7
83.01373	24.3
85.02936	51.8
85.04039	9.5
86.95538	2.1
87.00859	4.0
89.02421	11.1
92.19935	2.3
95.01362	4.8
97.02888	1.9
99.00863	16.3
101.02427	100.0
105.03780	28.5
111.00896	3.0
113.02431	55.9
115.04010	14.0
125.02394	2.3
129.04172	30.9
147.04456	2.3
159.02966	10.5
161.04553	20.2
191.07126	3.1
193.05449	2.7
203.01974	8.1
235.06456	2.4
235.09706	3.5
235.11836	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	235.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43880	1.4
58.24922	1.3
58.89695	1.3
59.01371	8.9
63.58097	1.5
65.03967	1.4
67.09941	1.4
69.70869	1.9
72.99289	1.7
73.02938	3.7
78.43428	1.7
83.01383	2.4
83.06165	1.8
85.95814	1.2
93.03440	96.7
94.02963	9.8
97.02911	2.0
108.04568	1.9
113.02428	14.9
115.03984	7.8
120.02296	1.5
120.04539	39.5
121.02068	3.7
121.02939	100.0
131.03546	1.9
135.03134	1.7
146.02487	2.5
147.04463	1.6
147.50847	1.7
159.02960	3.5
163.02715	1.9
164.03525	2.0
179.08174	1.9
203.01996	5.7
207.11385	12.8
235.04471	2.8
235.10847	36.8
246.65518	1.7
252.12238	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	235.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52794	0.3
54.52164	0.3
58.99598	2.4
59.01380	5.6
69.09812	0.4
71.01369	0.4
72.99300	1.4
73.02935	1.4
77.71946	0.4
79.90791	0.3
83.01370	1.4
87.00864	2.1
90.09483	0.3
92.83022	0.3
97.02942	0.4
103.02225	4.0
105.03782	100.0
110.46088	0.3
113.02433	5.0
115.04017	2.6
121.15316	0.3
127.00389	0.5
128.93324	0.4
130.25916	0.3
159.02998	1.4
175.04285	4.3
193.05389	18.4
203.01952	2.1
235.04468	0.8
235.06500	2.0
251.95996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1499
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01357	0.5
62.55101	0.4
68.25541	0.3
70.06042	0.3
112.68407	0.4
120.34447	0.4
189.87952	0.4
234.14984	100.0
251.11676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22961	0.7
55.01876	0.9
57.03437	3.7
59.01376	24.9
63.21040	0.9
64.75672	0.9
69.03461	1.2
71.01366	4.7
72.99295	24.4
73.02936	22.4
75.00822	1.1
83.01385	19.1
85.07722	1.0
87.00868	3.6
87.04506	10.7
92.19359	1.0
95.01374	1.3
97.02937	14.7
99.00867	5.1
107.70395	1.0
111.00896	1.4
113.02429	100.0
115.03989	51.4
115.04822	1.7
123.04562	1.0
127.00364	9.2
128.57141	1.0
131.03476	10.6
141.01915	6.8
147.04581	1.1
155.03474	1.2
159.02966	28.9
170.54179	0.9
173.04544	9.1
187.71362	1.0
191.05603	1.2
203.01971	35.7
217.10825	7.8
235.02441	1.9
235.04587	20.8
235.11876	6.2
256.25671	1.1
257.79773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65876	0.6
59.01373	8.7
74.99069	3.7
83.33887	0.6
94.77759	0.7
134.99327	1.0
149.00941	54.9
159.44263	0.7
160.38359	0.7
161.06351	1.6
167.12485	0.7
188.98500	0.8
217.07208	99.2
233.10339	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	233.1182
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
55.58601	0.9
59.01377	15.2
63.75102	0.9
72.49323	1.1
74.92960	0.9
85.02909	1.5
86.69294	1.0
107.32544	1.0
116.36578	1.0
120.05769	7.8
121.06589	2.0
131.05005	2.6
132.05771	1.2
133.06549	3.6
145.06570	1.7
147.08174	7.7
148.08932	1.4
156.66457	1.1
160.08937	1.1
163.11278	91.3
187.11235	1.9
189.12840	100.0
233.11772	24.0
233.15477	5.1
237.29457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69310	0.4
59.01376	100.0
61.46738	0.4
71.65292	0.4
84.17796	0.4
89.09277	0.4
144.99547	0.5
151.44624	0.5
188.98549	10.0
188.99965	0.6
232.97542	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	232.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12831	1.1
56.41576	1.4
56.46541	1.4
56.97218	1.1
59.01385	1.8
59.59318	1.2
67.14053	1.2
72.77905	1.3
80.72295	1.4
82.02984	2.1
83.74815	1.3
84.04533	100.0
85.02940	30.4
91.05516	1.7
100.04032	1.8
113.39534	1.5
123.41743	1.5
128.03517	49.5
151.28668	1.5
153.68253	1.4
160.07674	2.8
162.63931	1.4
172.10619	3.0
232.09784	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
58.23656	0.6
59.01383	0.7
59.14207	0.6
72.04536	14.5
72.99316	0.8
73.01099	0.7
74.29178	0.7
82.02973	9.1
83.01371	0.9
84.04533	0.9
84.73761	0.8
85.02944	9.2
87.00855	0.8
88.04051	1.3
89.55964	0.7
93.03297	0.7
96.04539	1.9
98.02460	11.0
100.04056	9.8
101.02432	3.4
102.05612	1.0
105.17567	0.7
105.78796	0.8
112.08511	1.0
115.00352	1.0
116.07152	3.5
124.08452	3.5
128.10826	0.8
129.01959	7.4
137.35973	0.9
140.10768	3.8
141.09203	0.8
142.05078	4.4
142.09526	3.7
144.02940	0.9
144.08485	1.6
146.08209	3.6
156.10344	3.2
158.11832	1.6
168.10284	1.1
170.09059	2.9
172.06041	1.4
184.09753	14.3
186.04138	1.4
186.11354	100.0
188.10104	1.3
214.03738	0.9
214.08711	1.1
214.10849	16.6
232.06511	1.5
232.09135	6.9
232.11880	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37321	1.0
59.07278	1.1
63.20927	1.0
63.42500	1.2
63.50519	1.0
67.30399	1.2
76.85040	1.1
82.02978	6.1
84.04535	100.0
85.02940	30.8
91.05511	1.8
99.43659	1.1
100.04031	5.0
114.34637	1.1
128.03528	47.0
160.07631	4.6
232.09782	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
74.83293	1.4
82.02978	8.9
84.04536	100.0
85.02941	31.1
91.05496	1.9
100.04018	2.8
121.36114	1.3
128.02602	2.0
128.03526	43.6
160.07666	3.4
219.48253	1.7
232.09796	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40983	0.7
51.80423	0.8
53.18970	0.9
75.46887	0.9
82.02977	7.4
82.16123	0.9
83.16607	0.9
84.04532	100.0
85.02939	32.0
91.05543	1.1
100.04027	5.3
128.03519	41.1
152.15489	0.9
160.07675	4.3
173.02829	1.0
173.76984	1.0
190.11812	1.3
207.44086	0.9
232.09755	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	232.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.2
59.29596	1.7
69.34214	1.9
78.26350	1.8
82.02979	4.6
110.06104	7.2
112.07670	13.1
138.05603	12.4
140.07167	48.9
151.18604	1.9
174.57843	2.1
178.34856	1.9
186.05919	83.0
186.11340	2.6
188.07539	14.3
232.06482	100.0
232.08832	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	232.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31503	1.3
82.02963	6.5
84.04534	100.0
85.02941	28.3
91.05537	1.9
92.19924	2.1
100.04031	3.3
127.08558	1.5
128.02708	2.5
128.03531	34.9
130.93585	1.5
152.39967	1.5
160.07616	5.9
232.09755	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34106	1.0
57.03437	2.1
64.83369	1.1
68.79230	1.2
70.71379	1.1
72.81364	1.0
73.60257	1.1
82.02980	5.5
83.01382	2.8
84.04539	1.3
85.06564	1.9
94.97456	1.2
98.00375	1.3
98.02412	1.3
100.04042	1.7
110.06091	4.9
112.04057	1.3
112.07684	14.8
115.00436	1.9
116.01731	7.8
116.07171	2.7
123.08118	1.7
124.08430	1.6
138.05634	10.3
140.07166	46.7
142.05090	1.6
142.09535	1.4
160.33397	1.2
186.05927	71.9
186.11328	13.5
188.03841	2.0
188.07571	14.5
214.10838	1.8
230.32054	1.5
232.02888	3.8
232.06473	100.0
232.08907	8.1
232.11845	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	231.1238
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
59.01379	26.3
65.44255	0.8
68.57201	0.7
79.63101	0.7
79.93640	0.8
88.31392	0.8
127.07639	6.8
127.11311	0.9
151.11266	4.0
169.12346	35.5
169.13741	1.5
171.04599	1.0
171.10265	100.0
176.98773	1.0
188.03032	0.9
189.07726	3.3
213.11374	9.8
231.12389	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
57.31081	1.3
63.71008	1.2
65.35021	1.2
67.05492	1.4
72.99295	29.0
73.02942	3.3
75.00861	60.2
82.59811	1.3
83.32517	1.4
87.00880	2.8
111.08122	16.1
113.09695	5.6
123.08160	24.0
125.09711	8.2
127.07610	2.8
141.09225	28.8
151.07640	5.8
152.37643	1.4
155.07170	5.7
169.08698	19.1
181.27696	1.7
187.09764	50.5
204.53812	1.6
213.07693	8.7
231.06416	3.2
231.08733	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	231.0873
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
52.72438	1.0
57.03429	1.0
59.01365	2.7
67.30141	1.1
81.03457	1.2
81.82214	1.1
83.05013	1.9
83.55959	1.1
95.93711	1.1
111.08134	17.6
113.09711	26.3
120.78982	1.1
123.08138	49.6
125.09712	2.7
141.09209	78.7
151.07610	6.8
169.08696	4.6
170.21263	1.3
178.00056	1.3
185.08153	1.9
187.09756	66.7
213.07695	7.3
231.08737	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	230.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86751	0.7
71.01371	9.8
76.72826	0.7
88.04028	100.0
96.99282	5.2
108.55756	0.8
114.01968	8.0
114.09227	85.0
114.99610	1.2
115.00352	21.1
115.07623	31.9
128.37772	0.8
132.03006	3.8
140.10832	0.8
147.00377	0.7
168.10295	4.0
186.11339	27.9
212.09335	5.3
215.71834	0.8
230.10307	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0872
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
56.89873	1.7
57.03449	1.6
58.08150	1.6
59.01373	8.0
71.05015	26.0
72.99325	1.7
83.04995	24.4
83.87395	2.2
85.02938	9.1
97.02911	2.7
99.00861	11.0
105.13376	1.6
110.03691	3.2
111.08121	9.1
113.06078	9.0
113.09679	8.1
115.03999	23.1
123.04515	26.5
123.08147	82.0
123.09045	3.8
125.06147	2.3
125.09709	3.3
128.81392	1.7
133.06618	3.7
141.09207	11.8
151.07635	48.1
153.14951	1.6
161.76341	2.0
167.07088	15.8
169.08688	43.6
187.02539	2.0
187.09734	11.4
213.07666	42.9
231.01579	2.2
231.08720	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	231.0873
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
59.01367	10.4
60.64154	1.2
69.00063	1.5
72.99298	28.8
73.02924	2.0
75.00423	2.7
75.00859	84.2
81.70551	1.3
84.45004	1.4
103.23137	1.7
109.06635	1.9
111.08140	16.0
125.09704	10.5
127.07631	52.9
141.09161	2.8
143.07124	3.6
155.07114	8.1
169.08734	2.0
171.06606	8.3
187.09753	28.9
189.07674	36.1
213.07643	6.6
231.08733	100.0
251.81201	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	230.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12519	0.9
56.80732	0.9
59.01359	1.0
59.29409	0.8
62.38706	1.0
71.01361	8.6
79.24422	0.9
86.12981	0.9
88.04030	42.5
89.04341	0.8
95.48511	0.9
96.99316	5.1
114.01948	1.7
114.09232	100.0
115.00357	29.2
115.07635	19.1
134.03438	1.3
140.10828	1.2
168.10294	4.5
186.11346	47.8
212.09262	7.2
230.10330	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83836	0.8
58.75487	1.0
59.08262	0.9
63.70734	1.2
70.02947	1.3
71.01381	10.4
71.34898	0.9
86.81547	1.0
88.04030	36.7
96.99281	6.1
101.72346	1.0
114.09232	100.0
115.00352	26.9
115.06963	1.4
115.07642	19.5
142.12350	1.9
168.10283	7.1
186.11340	42.5
212.09283	7.2
230.10313	55.5
231.94524	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79943	0.7
55.87765	0.8
63.59185	0.6
65.84786	0.7
73.01138	1.8
82.02959	6.1
89.28484	0.7
96.04533	23.0
98.52876	0.7
98.99088	3.1
100.31659	0.7
103.89985	0.7
108.04536	25.2
114.00171	60.5
114.05578	1.1
124.08455	4.0
129.17494	0.7
142.03305	100.0
186.02292	34.8
230.01262	63.1
230.06902	1.3
230.10422	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	230.0126
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
50.13129	1.1
56.13819	0.9
59.17653	0.9
61.79869	1.1
72.57923	1.0
82.02971	5.1
89.92657	1.1
96.04532	27.4
98.99072	1.3
108.04542	24.4
114.00175	55.1
114.05566	9.0
115.00362	1.3
115.03993	2.7
124.08469	2.1
139.82759	1.2
142.03311	100.0
186.02290	34.4
186.07703	6.3
230.01273	75.0
230.06406	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	230.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87758	0.8
56.71084	0.8
59.01371	4.4
73.01163	1.8
82.02968	5.1
84.06234	1.0
85.02953	7.3
85.14629	0.9
88.67391	1.1
96.03986	1.3
96.04544	24.5
98.99088	1.5
108.04546	26.3
111.08171	1.1
112.08477	1.6
114.00179	62.2
114.05605	1.2
117.31662	0.9
122.89407	1.0
126.09290	1.3
140.08026	1.2
142.03311	100.0
142.08701	7.8
170.08218	20.5
186.02313	35.8
188.09294	22.4
230.01279	62.6
230.07448	2.1
230.10258	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.67200	1.3
55.72477	1.2
59.26611	1.4
72.92990	1.2
74.51494	1.4
124.56201	1.4
129.05579	7.9
139.11275	10.6
161.48114	1.4
165.12872	2.3
167.14409	39.9
169.92941	1.5
211.13388	55.2
229.14444	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.78054	0.8
59.01371	1.3
66.78925	1.1
78.79205	0.8
83.05035	1.6
85.06586	9.6
97.06571	1.1
99.08142	4.6
107.97263	0.9
109.01185	1.0
109.70185	0.9
111.08110	1.1
113.06051	5.1
115.07616	5.6
120.54069	0.9
125.06097	1.3
125.09697	1.1
127.11269	4.1
129.05585	1.0
149.13420	3.1
155.14377	1.2
165.12802	1.7
167.14421	2.1
169.12303	1.1
171.10257	4.7
183.13863	3.6
185.11841	1.7
199.13310	1.5
211.13371	11.7
225.71851	0.9
229.14439	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.39373	0.5
52.43615	0.6
57.65730	0.7
59.01366	4.9
60.31635	0.7
69.86610	0.6
73.47070	0.6
76.38429	0.6
79.02765	0.8
80.56598	0.7
122.12903	0.7
125.09662	0.9
130.40788	0.7
159.08414	2.9
168.24045	0.7
169.12305	15.9
181.12308	6.8
183.13913	1.3
193.12317	9.6
199.13394	3.9
211.13429	18.5
226.40324	0.8
227.12776	0.7
229.14432	100.0
231.37372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22245	8.1
54.95011	8.6
55.93441	9.4
66.98428	9.2
74.44869	10.5
111.92632	9.9
128.66486	12.0
135.38824	9.4
143.90977	9.6
146.32431	10.9
147.42400	8.9
153.12868	76.7
197.11855	100.0
215.12917	58.2
229.14421	12.6
245.54956	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
65.22652	1.2
125.09706	1.9
127.11275	6.2
185.11876	1.1
211.13406	5.6
229.14433	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.26836	0.8
57.19951	0.7
60.05771	0.8
72.70466	0.8
83.81210	0.8
89.02823	0.9
91.89396	0.8
98.02242	0.9
105.49306	1.0
127.11275	4.3
155.14441	1.2
163.11249	0.9
165.12883	1.1
167.14362	1.9
171.10248	4.0
174.00241	0.9
183.13817	1.5
209.11812	1.8
211.13417	12.7
211.27733	0.9
229.14432	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.28091	0.9
71.01374	7.9
72.99294	7.8
87.74642	1.0
99.00848	10.7
101.73896	1.1
107.15799	1.2
116.92839	5.5
139.11278	81.4
139.76222	1.1
149.13338	2.7
165.12810	22.5
185.94649	1.5
193.12341	7.5
211.13287	1.6
229.14427	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	229.108
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40494	0.8
65.78366	0.8
69.03426	1.4
83.05008	1.2
127.11267	1.1
139.11285	100.0
149.09744	7.2
162.58846	0.9
167.10768	23.6
167.14375	1.9
171.10323	1.0
183.10289	6.5
185.11819	70.1
209.11853	1.7
211.09758	24.6
211.13359	7.0
213.51599	1.0
224.55861	1.0
229.10841	71.7
229.14397	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1081
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
51.63741	0.8
52.73633	0.9
57.03447	1.9
59.01378	1.9
65.01693	0.9
102.98318	0.8
125.09677	1.4
126.08775	0.9
127.83553	1.1
139.11273	1.9
141.12846	4.5
152.13623	1.0
155.10786	1.6
167.10751	4.5
173.85844	1.1
185.11827	100.0
201.11293	1.7
217.34708	1.0
229.10782	17.2
229.14412	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	229.108
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
51.33834	1.3
54.26268	1.4
56.59232	1.5
64.18871	1.6
71.05010	2.7
80.19849	1.7
81.43730	1.5
85.40230	1.6
97.02921	10.3
99.00867	71.0
100.71530	1.8
111.08127	16.8
131.08644	2.1
139.11292	2.9
141.12863	6.4
149.09694	26.4
151.76649	1.7
162.89369	1.7
164.12140	1.8
167.10771	47.6
185.11833	31.6
190.98070	1.6
193.08701	56.5
211.09755	100.0
229.10799	95.4
247.52002	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	229.1079
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
50.65385	1.1
56.64613	1.4
59.01376	1.4
60.43708	1.4
67.97537	1.4
93.77954	1.4
95.20234	1.5
99.00867	6.3
99.01966	1.7
103.34364	1.9
139.11240	1.9
141.12894	2.4
149.09697	1.7
167.10732	24.5
183.10242	2.4
185.11819	81.9
193.08669	7.4
211.09796	22.3
229.08510	3.7
229.10786	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	229.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23196	0.8
50.29219	0.8
55.01877	1.7
57.03431	2.2
59.01377	10.4
59.84835	0.8
66.63214	0.8
69.03445	1.6
71.01379	1.1
71.05019	10.0
72.99294	1.0
74.75468	0.8
81.03450	2.2
83.05012	18.3
85.06570	4.2
95.05026	1.4
97.02913	1.2
97.06578	1.8
99.00909	0.9
107.71458	0.8
109.06563	5.0
111.04477	1.8
111.08141	25.5
112.93544	0.9
113.09710	8.2
121.06570	4.4
123.04544	1.3
123.08142	100.0
125.06018	3.9
139.07639	10.9
141.05559	0.8
141.09180	2.3
144.06018	1.2
149.06119	1.4
155.03458	1.1
167.07138	17.7
179.76143	1.0
185.08156	6.1
187.34521	0.8
211.06081	4.7
213.97279	0.9
229.03569	2.0
229.07178	27.6
229.10791	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	229.0715
Annotation	GEIR-3
Peak:m/z	Relative Intensity
57.03434	19.0
57.07311	3.7
57.31410	4.3
58.00594	7.3
59.01368	21.4
66.19024	3.5
71.01390	5.1
72.99295	15.2
73.02934	100.0
83.05020	9.1
85.02975	6.6
87.00865	4.7
95.04975	5.4
97.06540	4.8
98.14499	3.3
109.06570	16.5
111.04545	7.3
111.08131	94.5
113.09722	39.7
119.08672	29.4
120.70817	3.8
121.06550	8.0
123.08135	95.5
137.09746	7.1
139.07616	34.5
141.09193	37.3
143.79532	4.8
157.08659	8.0
167.07108	41.8
185.08167	28.6
189.19283	4.0
196.79955	4.0
211.06212	5.0
229.07196	91.8
229.10735	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0716
Annotation	GEIR-3
Peak:m/z	Relative Intensity
51.69305	2.8
52.53204	2.5
58.83187	2.3
59.01384	6.7
64.23610	2.6
66.00062	2.7
71.05014	3.1
75.35973	3.3
78.95907	20.9
82.05711	2.8
83.05007	24.4
84.12740	2.6
85.06559	2.9
87.00845	26.7
96.96941	15.5
97.06552	4.5
104.58372	3.1
109.06554	14.9
111.04531	2.9
111.07430	4.5
111.08147	71.3
113.09712	34.3
118.94930	2.6
121.06572	24.9
123.08138	100.0
125.06068	5.5
139.07642	52.0
141.09195	14.1
143.07152	13.1
167.07069	22.9
185.08203	15.0
187.06123	4.7
229.07132	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96069	1.3
71.01370	16.2
88.04028	100.0
92.19353	1.7
102.77670	1.6
112.07672	65.7
113.06077	23.4
114.01945	8.4
115.00361	33.1
132.03011	91.0
140.10832	6.0
159.16972	1.4
166.08679	7.0
169.55782	1.6
184.09773	35.4
210.07692	3.1
228.08749	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1605
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
59.60814	0.7
63.43335	0.8
92.99899	0.8
124.26719	0.9
167.14410	31.2
183.15689	0.8
184.17070	1.8
200.13623	1.3
207.62355	0.9
210.14949	7.4
211.13397	45.1
228.13496	4.7
228.16031	100.0
229.14421	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	228.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37846	1.0
65.22611	1.1
70.02943	1.8
71.01370	10.0
75.71494	1.2
78.10474	1.2
88.04028	46.3
96.99270	7.1
110.52126	1.4
112.07664	100.0
113.06060	40.8
113.06837	1.7
114.01917	8.8
115.00333	28.1
124.69902	1.3
132.02943	1.7
132.35796	1.2
166.08676	6.7
184.09750	54.7
210.07722	8.1
228.08752	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92849	0.8
59.01375	1.0
70.02990	0.9
71.01374	7.7
88.04028	89.3
90.82989	0.9
93.16658	1.0
110.98789	0.9
112.07716	1.1
113.06086	7.2
114.01932	6.1
115.00344	15.3
116.16504	0.9
121.57828	1.0
132.03015	100.0
142.70000	0.9
143.05322	0.9
147.65685	0.9
172.72081	0.9
184.09796	1.9
210.88036	1.0
225.09691	0.9
228.08806	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	227.2015
Annotation	Tetradecanoic acid
Peak:m/z	Relative Intensity
52.55666	1.1
59.05425	1.2
65.34585	1.4
72.52047	1.4
78.35956	1.7
81.44041	1.7
140.00606	1.6
147.16837	1.4
165.39670	1.4
181.37476	1.4
183.13869	1.6
197.19075	32.0
225.18567	34.7
227.20169	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	227.1402
Annotation	L-isoleucyl-L-proline
Peak:m/z	Relative Intensity
58.62492	1.3
62.48244	1.5
66.03465	3.5
70.68417	1.5
74.53263	1.6
75.31172	1.5
82.06614	34.8
84.08171	7.4
88.19310	1.5
99.26137	1.8
101.34866	1.5
112.07677	7.4
114.05590	82.2
120.19706	1.8
173.92877	1.8
183.15083	3.0
214.38565	1.7
223.90253	1.9
227.14035	100.0
227.20227	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	227.1402
Annotation	Leucylproline
Peak:m/z	Relative Intensity
50.14028	1.5
52.29613	1.4
56.48241	1.6
58.02973	41.1
66.03469	2.9
68.05037	3.0
70.06618	4.3
86.71648	1.6
87.42202	1.8
96.04544	25.7
109.01678	2.3
109.04093	2.0
112.07651	14.3
113.03565	1.9
114.05580	14.2
129.10324	47.9
139.07617	7.3
140.07153	3.9
141.10321	25.8
167.11893	11.2
183.11536	2.3
183.15019	41.3
209.12994	15.3
210.07678	2.2
227.05542	8.0
227.09261	2.7
227.10429	3.0
227.14008	100.0
227.20186	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	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
54.47718	0.9
54.55004	1.0
55.49177	1.1
58.00594	6.6
60.26375	1.0
135.26720	1.2
144.10362	1.1
153.12740	1.3
155.14406	2.2
165.12825	2.7
169.12280	2.0
171.13892	2.5
176.83768	1.2
181.12331	4.4
183.13947	1.9
184.01869	2.2
187.66904	1.1
199.13394	66.0
209.11836	12.7
227.07555	16.6
227.12891	100.0
227.20213	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	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
54.38395	1.7
58.44927	1.9
59.01375	2.9
76.44462	2.1
97.06569	3.1
105.75615	1.9
119.91104	2.4
165.12810	34.9
182.98564	2.8
183.13893	36.7
208.93358	2.3
209.11859	30.8
227.07478	15.3
227.12888	100.0
227.16376	3.2
227.20126	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	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.55656	1.9
55.92574	1.8
56.74514	2.2
59.89188	2.1
61.98497	2.3
90.62600	2.3
108.85759	2.5
144.46791	2.4
165.12811	22.8
183.13893	100.0
202.66159	2.4
208.93376	3.0
227.12823	18.5
227.20177	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	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06186	2.1
56.26114	1.8
70.86174	1.8
87.55463	2.2
121.66077	2.0
134.91664	2.2
161.03123	2.0
165.12846	18.4
183.13899	100.0
208.93385	3.5
209.11865	2.2
227.12866	17.4
227.20255	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	227.1289
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
50.47636	1.9
55.00096	1.7
57.03453	2.1
62.41552	2.0
62.85469	1.9
70.92306	2.2
71.04958	2.1
82.95706	2.4
83.05020	10.0
88.45679	2.0
95.05077	3.0
97.06586	30.9
105.31824	1.9
131.88837	2.1
151.11263	100.0
176.65590	2.3
183.13907	4.6
195.10234	13.9
199.13416	9.0
208.93605	3.1
209.11819	22.0
227.12868	24.8
227.20142	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	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
58.00585	3.1
60.88899	2.3
97.06548	2.7
105.47291	2.4
126.57392	2.5
165.12860	3.7
181.12425	3.1
199.00468	2.8
199.13419	58.4
209.11810	20.2
227.12895	100.0
227.20161	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	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.19897	0.4
52.02929	0.4
52.44888	0.4
61.89741	0.5
63.46967	0.5
65.70823	0.5
71.62459	0.5
80.02664	2.3
81.03426	0.8
83.05023	8.8
84.02171	4.0
84.66682	0.5
85.46003	0.5
92.20013	0.6
93.90964	0.5
95.04990	0.8
111.08161	0.7
120.51851	0.5
121.62396	0.5
125.06050	0.6
163.11302	7.2
165.12784	5.9
181.12384	0.6
191.10777	1.2
209.11835	100.0
221.82181	0.5
227.12897	2.7
240.55989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
59.01378	100.0
73.27663	1.5
76.60061	1.6
83.05028	2.4
136.75806	1.7
139.11214	2.3
163.11292	3.3
163.86247	1.7
183.10303	3.1
209.11855	48.2
227.12871	32.6
227.20140	11.0
235.09637	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	227.1288
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
56.27681	0.5
59.01379	5.1
61.66761	0.5
71.65915	0.6
73.02792	0.5
80.02661	1.1
81.03449	2.6
83.05014	7.4
84.02151	3.1
95.05023	0.8
139.11275	3.0
163.11243	6.9
165.12779	4.8
167.10730	0.7
168.23862	0.7
180.79344	0.7
181.12346	1.3
183.10217	0.8
189.16034	0.6
191.10748	2.3
199.13379	1.4
209.11823	100.0
227.12923	8.1
227.20126	6.7
245.47643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
55.72629	1.6
57.80368	1.8
59.01370	3.4
67.95951	1.8
71.45694	2.0
76.67852	2.0
77.17594	1.7
80.02672	2.4
83.05009	12.0
85.14844	1.8
86.46059	1.7
97.06541	4.3
98.00093	9.4
110.25761	2.2
110.29283	2.1
128.67680	2.3
138.73108	2.1
141.51268	2.0
151.11320	20.8
163.11221	2.6
165.12781	4.1
183.13887	83.8
195.10320	16.8
208.93338	3.6
209.11836	74.8
213.11353	8.7
227.12895	100.0
227.16283	17.8
227.20056	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	227.0825
Annotation	Aaptamine
Peak:m/z	Relative Intensity
55.58340	0.7
68.01387	3.2
68.99809	1.8
70.02973	1.3
83.05014	1.0
96.00896	3.2
97.01681	4.8
98.02461	100.0
116.05035	4.7
132.31952	0.9
157.42430	0.8
157.88988	0.8
166.25865	0.8
170.70235	0.8
209.11745	7.6
227.08269	18.9
227.13034	6.8
227.20142	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	227.0926
Annotation	(+)-cyclopentanecarboxylic acid
Peak:m/z	Relative Intensity
51.35651	0.6
54.79311	0.5
56.66226	0.5
57.03427	1.3
65.33835	0.7
69.03458	1.2
71.01387	0.9
71.05016	7.3
76.53108	0.6
83.05016	2.8
92.19986	0.6
99.36036	0.6
100.45303	0.6
109.06627	0.9
111.08145	8.2
112.28973	0.6
123.08202	0.8
137.09691	1.4
139.11299	7.6
147.08157	1.1
165.09250	8.4
183.10252	100.0
209.08159	3.2
225.97997	0.6
227.09248	52.5
227.20184	5.0
232.87122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0722
Annotation	L-Arogenate
Peak:m/z	Relative Intensity
57.47842	0.8
71.01376	15.6
75.81931	0.8
88.04019	17.1
92.19335	1.7
96.99284	1.1
110.06096	100.0
111.04493	26.7
114.01943	3.4
115.00350	31.2
117.25133	0.9
120.08192	0.9
131.34393	0.9
132.03011	34.8
138.05550	0.8
138.09227	10.4
164.07155	12.9
182.08202	48.0
193.73599	0.8
208.06161	4.7
213.95956	0.9
222.27095	0.8
226.07202	47.4
239.90216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68805	1.4
54.74822	1.5
71.01367	12.6
74.10830	1.8
80.39429	1.7
87.92910	1.5
88.04013	22.7
92.05093	1.9
110.06097	100.0
111.04490	24.9
114.01918	2.6
115.00346	33.7
132.03026	45.0
132.03989	2.1
138.09239	10.2
142.60890	1.6
162.50981	1.5
164.07166	11.9
182.08211	54.8
208.06128	3.2
226.07196	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0356
Annotation	5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
67.01871	10.8
67.51914	0.9
71.01376	18.6
75.57791	0.9
89.04362	1.1
109.04071	7.9
110.02458	100.0
110.04386	10.1
111.00874	15.0
115.00352	35.7
120.04485	2.2
126.03764	1.0
132.03017	2.2
136.04063	1.5
138.05586	5.1
164.03510	5.5
182.04573	50.1
208.02499	5.8
208.04370	2.2
226.03563	38.1
226.05655	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	226.072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
59.01362	0.9
60.00478	0.7
70.91386	0.7
71.01358	12.2
82.02956	1.4
84.04507	1.4
87.00872	1.6
88.03987	1.5
92.05064	0.9
93.03432	1.7
94.03758	1.8
96.99294	1.0
97.66155	0.8
108.04581	0.8
110.06096	100.0
111.03790	1.2
111.04505	31.8
114.01959	1.0
115.00349	30.5
128.03510	1.3
136.07663	3.1
137.02455	1.6
138.02768	3.9
138.05594	20.4
138.09227	14.9
140.07143	9.3
154.08711	1.8
164.07155	12.2
178.08716	9.0
182.08191	48.1
184.09756	1.5
196.09796	4.7
208.06134	3.4
226.07181	55.0
226.10641	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	225.1497
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
52.34095	4.1
52.49471	4.9
53.90343	6.4
83.98222	5.5
195.13861	6.4
207.13765	40.7
225.14934	100.0
227.45389	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	226.0355
Annotation	5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
50.49231	1.0
50.89888	0.8
51.36319	1.0
60.75632	0.9
64.44701	1.0
67.01878	13.2
71.01360	16.7
74.52145	1.1
81.53222	1.0
82.27945	1.1
109.04029	1.1
110.02457	100.0
110.04391	2.2
111.00863	15.2
114.01955	1.3
115.00359	36.1
115.08245	1.0
120.04550	1.9
125.65038	1.3
131.44160	1.1
137.10985	1.0
138.05598	1.8
146.35231	1.1
164.03511	7.2
182.04587	45.2
206.11856	1.2
208.02525	6.5
226.03572	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	Annuionone E
Peak:m/z	Relative Intensity
59.01373	2.6
81.95741	1.3
85.45102	1.4
92.19940	2.0
138.56805	1.2
178.83449	1.8
181.12370	2.3
181.16039	1.7
195.13890	10.5
197.15511	3.0
207.10379	1.4
207.13911	35.1
225.14970	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05721	0.9
59.01379	2.3
71.01353	1.6
73.02924	1.0
80.02658	1.4
83.05015	1.6
88.37589	1.3
92.19307	1.2
94.67998	1.1
95.01382	1.6
95.04990	10.9
97.02936	6.0
109.06576	10.4
110.03708	6.7
135.08168	1.5
161.09676	1.6
163.11267	25.0
169.12335	2.1
179.10759	4.5
181.12357	7.3
189.07750	1.3
189.09149	9.8
197.11848	4.7
207.10274	47.9
225.05998	4.3
225.11325	100.0
225.40045	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	225.1131
Annotation	Stagonolide
Peak:m/z	Relative Intensity
63.51462	1.1
85.72066	1.3
87.38888	1.1
97.02916	8.5
99.00861	5.7
108.66425	1.2
110.03735	2.0
135.06897	1.2
163.11218	11.0
167.16324	1.2
181.12315	33.8
207.08290	2.6
207.10255	86.8
225.11313	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	225.1132
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
58.86798	1.2
59.01380	2.9
59.70945	1.3
65.59736	1.1
67.85934	1.3
69.60126	1.3
69.60510	1.3
81.68887	1.5
85.26041	1.3
87.75407	1.2
163.11253	9.3
181.12338	100.0
225.11349	3.0
225.14966	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	225.1132
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.85695	6.0
62.00556	5.7
64.76652	4.9
74.72955	5.2
76.44571	5.8
86.46604	5.5
94.20953	6.0
112.38660	6.1
124.04125	6.3
130.19597	6.0
143.10988	6.7
163.11334	9.9
178.83353	8.4
181.12358	23.5
199.88196	6.5
207.10254	76.4
225.11339	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	225.1132
Annotation	Chloriolide
Peak:m/z	Relative Intensity
54.92345	1.8
56.74750	1.9
56.90298	1.8
57.78778	1.6
72.32703	1.8
87.82300	2.1
87.99845	2.0
90.32304	2.0
90.60931	2.0
97.02959	6.5
99.00840	2.1
115.89821	1.9
163.11305	10.0
167.79802	2.0
175.69469	2.2
181.12343	28.9
185.44846	1.9
207.10255	80.8
225.11310	100.0
236.96594	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	225.0768
Annotation	Speciosin F
Peak:m/z	Relative Intensity
53.00649	0.9
59.01373	6.5
92.19997	2.4
100.55502	1.1
115.37117	1.1
123.04534	7.8
134.03738	5.2
149.06050	4.4
150.03276	1.5
151.03990	100.0
165.01906	2.2
165.05562	22.3
166.06326	37.1
181.05067	1.9
181.08762	1.5
198.15793	1.1
205.58678	1.0
207.06622	1.5
225.07668	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01379	1.5
67.90857	1.5
71.20038	1.7
77.22552	1.8
97.02910	3.5
109.06576	8.5
110.03719	2.5
163.11290	14.8
178.83394	11.1
181.12311	26.0
181.15916	2.7
207.10251	68.2
217.18085	1.8
225.11302	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	225.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	52.3
60.17498	2.3
63.62164	2.4
69.47751	2.4
70.43652	2.5
74.21902	2.7
81.68708	2.6
87.00874	15.9
93.03436	34.0
106.80479	2.7
123.04507	4.5
134.03745	4.7
137.02429	32.8
137.09708	3.5
138.03247	3.4
139.00299	2.7
149.06041	2.8
150.03239	3.5
151.03983	94.9
163.07578	3.0
165.01924	3.3
165.05560	47.5
166.02689	9.7
166.06329	47.4
180.04312	3.3
181.05025	19.9
181.08604	4.1
210.01714	11.3
210.05356	4.6
225.04198	25.7
225.07645	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	225.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58472	0.7
72.82081	0.7
80.66000	1.0
97.76738	0.9
99.67680	0.8
109.21615	0.8
122.03703	5.2
137.02434	4.6
137.06050	1.2
137.09686	1.6
153.05594	1.0
165.01892	31.9
180.04274	100.0
181.05081	1.4
181.08672	1.1
195.03001	29.9
195.06619	74.3
210.05330	48.9
210.06895	0.9
225.04256	0.9
225.07668	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	225.0767
Annotation	ETHYL SYRINGATE
Peak:m/z	Relative Intensity
56.66546	0.6
57.03440	1.7
59.01383	0.6
65.68098	0.6
81.46256	0.7
83.05005	1.2
92.19939	1.1
95.01389	0.8
110.43144	0.7
123.00827	6.2
150.98051	0.7
151.00346	3.8
158.75565	0.7
164.04848	0.7
166.02699	1.4
177.01883	3.0
178.02718	3.9
192.04257	1.4
195.02975	62.9
207.06538	0.7
210.05331	100.0
225.07658	47.2
225.11023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04102	1.3
70.74106	1.2
71.01378	11.3
76.04068	0.9
82.04093	10.1
123.08226	1.2
133.35580	1.0
141.09209	100.0
180.15022	2.0
224.12004	1.9
224.14030	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	224.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04094	1.1
59.01384	1.1
62.26796	1.2
71.01376	12.6
82.04110	10.6
92.51673	1.0
123.08140	1.5
124.90017	1.0
134.60887	1.2
135.37019	1.1
141.09203	100.0
163.12407	1.2
179.72794	1.2
180.15088	1.7
180.73882	0.9
189.10280	1.1
224.14061	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1704
Annotation	Myristic Acid Alkyne
Peak:m/z	Relative Intensity
50.89883	1.7
54.29506	1.8
56.98236	1.8
58.48908	2.2
59.01376	29.1
63.31879	2.1
74.54023	2.3
78.07887	2.3
81.93991	2.3
116.37628	2.4
118.05842	2.6
125.35481	2.4
129.60236	2.3
141.01643	2.6
187.03725	2.3
205.15941	4.8
223.17024	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	223.134
Annotation	Methyl epijasmonate
Peak:m/z	Relative Intensity
54.85161	2.5
59.01372	17.8
67.72695	2.3
68.70985	2.4
69.03488	2.6
73.07108	2.6
85.02943	21.4
92.02384	2.6
92.19972	2.9
96.95990	17.9
109.06558	11.1
111.00839	5.4
111.08144	30.8
123.08134	15.6
149.09665	5.0
151.93649	2.2
177.12787	10.0
179.14392	31.9
191.11885	3.2
203.15619	3.0
203.66273	2.5
205.03526	3.9
223.10172	26.5
223.13391	100.0
241.59973	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	223.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07429	4.6
59.01372	38.2
65.24515	4.1
73.27135	4.9
85.02945	6.8
97.06560	11.3
99.08146	100.0
116.18368	5.3
118.31874	5.2
119.08974	6.4
141.01755	9.4
141.45943	5.7
147.99953	4.9
208.03761	6.1
223.02808	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	223.0976
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
52.88377	1.5
57.03437	2.1
58.06493	1.7
59.01377	82.7
60.48473	1.4
61.44209	1.6
64.31112	1.6
67.38223	1.4
68.26820	1.5
69.03413	1.4
85.02946	8.8
106.04248	2.8
107.08675	14.3
133.10236	2.8
135.11787	28.4
147.04486	2.7
159.08145	2.3
161.09706	10.8
172.61377	1.8
177.09082	2.6
179.10767	100.0
205.03528	1.9
208.03714	2.2
222.12953	2.1
223.13432	2.6
232.93005	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1338
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
50.77869	1.7
59.01370	3.7
65.33679	1.6
67.95658	1.6
69.03439	3.7
70.50841	1.6
71.01430	1.4
71.01859	1.8
71.93973	1.5
75.57583	1.3
81.78550	1.5
84.40818	1.6
90.05174	1.6
91.16116	1.8
93.01393	1.8
99.70409	1.6
99.72873	1.7
108.05827	1.9
116.49236	1.8
152.86249	1.7
156.84348	1.6
167.10738	9.8
170.64131	1.6
179.10858	2.8
179.14363	17.1
195.13953	29.6
205.12343	26.0
223.13391	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	223.0611
Annotation	Calaminthone
Peak:m/z	Relative Intensity
53.94151	1.2
54.80660	1.1
57.03443	10.8
59.01380	7.1
67.56027	1.1
71.01389	2.8
83.01379	3.2
85.02936	42.9
87.00848	3.2
89.71089	1.2
91.05518	14.9
93.03455	5.0
101.02425	8.1
108.05532	1.3
110.26935	1.2
111.00854	19.3
117.07070	2.2
121.02958	7.2
129.01941	14.0
133.06575	6.7
135.04529	10.6
147.02998	2.4
149.02434	46.5
152.01158	11.6
161.06053	8.3
163.04008	31.9
164.04791	64.6
165.01857	5.8
165.90199	1.2
169.05042	6.8
176.07623	1.4
179.07095	13.2
193.01407	57.0
205.03487	16.4
208.03767	100.0
223.04605	5.9
223.06198	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62896	1.2
50.66316	1.5
53.56279	1.5
57.03449	3.5
59.01378	9.6
71.01385	1.7
72.99299	1.8
85.02948	25.3
92.20065	1.5
93.03452	7.7
101.02422	3.8
111.00874	12.1
111.21991	1.5
121.02942	7.1
129.01932	7.3
135.04544	13.5
149.02440	44.0
152.01144	11.2
161.95523	1.6
163.03999	14.9
164.04796	61.7
165.01964	1.9
166.11267	1.8
169.05087	2.0
174.40581	1.4
179.07124	9.9
193.01416	59.1
205.03500	12.5
208.03783	100.0
223.04539	4.7
223.06149	41.3
223.07863	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	223.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94309	1.7
57.03452	16.3
59.01373	10.4
61.46223	1.7
64.74134	1.7
68.29029	2.0
71.01366	3.6
75.00863	3.2
80.57480	2.1
83.01369	7.7
85.02940	100.0
92.19976	2.3
99.20762	1.8
101.02413	13.8
111.00868	41.2
111.99122	2.0
121.02930	3.1
129.01942	31.0
135.04488	8.8
147.02966	8.0
149.02429	37.0
152.01154	10.1
163.04010	12.6
164.04774	47.0
165.01921	2.8
179.07117	12.0
193.01413	41.2
205.03549	35.7
208.03764	73.9
223.04263	32.0
223.06171	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	223.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88713	1.4
70.03490	1.2
87.00871	13.3
89.51855	1.1
91.05519	100.0
117.07072	19.7
130.72133	1.2
133.06578	34.6
135.69040	1.2
161.06075	45.2
161.13457	1.5
163.04001	81.1
179.07098	5.4
223.03955	2.3
223.06107	59.9
229.19052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41032	1.1
53.90899	1.2
57.65631	1.3
59.01374	1.4
65.84596	1.5
69.54071	1.5
69.89053	1.1
78.07603	1.3
87.00882	14.1
91.05513	100.0
91.38171	1.5
96.85233	1.3
117.07093	20.9
133.06584	42.3
161.06084	57.6
163.03999	90.4
179.07103	7.2
223.06105	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74053	0.9
55.01870	2.3
55.83340	1.0
57.03441	18.2
59.01374	9.0
70.84266	1.2
71.01366	9.9
71.01705	1.1
71.22053	1.0
72.99280	1.6
73.02944	1.4
75.00865	2.7
77.07507	1.0
83.01382	10.7
85.02938	100.0
87.00848	2.5
101.02427	10.9
101.06219	1.1
103.00385	1.1
110.02460	1.2
111.00862	46.4
129.01930	28.9
135.04836	6.2
143.03473	1.6
147.02965	6.2
183.33746	1.3
187.02484	2.6
205.03529	34.9
223.02454	1.3
223.04594	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
57.03436	18.0
59.01365	11.1
69.69080	1.4
71.01376	8.7
73.02927	2.4
74.93399	1.4
75.00871	3.7
83.01381	8.7
85.02939	100.0
87.00858	6.3
98.37305	1.5
101.02415	10.8
111.00857	45.1
118.60949	1.6
123.78323	1.5
124.75412	1.8
129.01923	30.2
147.02994	2.2
161.04466	1.5
163.56038	1.4
187.02499	3.0
205.03519	38.0
223.04591	38.7
223.07957	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	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82837	0.8
55.01888	1.6
57.03452	17.7
59.01371	12.3
65.44047	0.9
66.97375	1.0
71.01376	9.6
72.99285	2.0
73.02942	1.7
75.00858	5.0
83.01384	8.0
85.02936	100.0
87.00864	1.9
101.02416	14.4
111.00862	43.9
129.01929	26.6
147.02965	7.2
161.04608	1.1
187.02484	2.2
205.03519	34.5
223.04587	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	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59805	1.8
55.84412	1.8
57.03437	16.1
59.01378	16.9
60.45302	2.0
65.00353	1.9
71.01367	10.4
71.03358	1.9
72.99286	2.8
75.00859	3.4
75.37931	2.2
83.01376	5.2
85.02932	100.0
85.54720	2.5
101.02431	18.4
111.00869	56.6
129.01945	29.8
147.03001	5.0
149.84557	2.1
160.64375	2.4
192.37032	2.4
201.43495	2.4
205.03548	45.9
223.04614	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	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03449	16.6
58.83194	1.5
59.01377	9.0
66.19957	1.9
66.76292	1.8
71.01373	11.4
75.00460	1.7
75.00878	3.3
83.01371	7.8
85.02934	100.0
87.00860	3.3
101.02434	10.4
111.00864	47.8
129.01932	27.8
147.02963	8.0
149.02383	4.0
164.04784	8.2
174.42557	1.7
179.07207	2.0
181.54056	2.2
193.01393	7.6
205.03543	36.4
208.03749	9.6
223.04543	38.0
223.06372	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	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20842	1.1
55.01881	1.2
55.72643	1.1
57.03448	15.8
59.01389	13.3
66.98886	1.2
70.94385	1.2
71.01368	8.1
73.02941	2.5
75.00871	5.1
83.01381	5.9
85.02940	100.0
85.23109	1.2
87.00872	5.1
101.02431	8.7
103.00357	1.6
103.03992	1.5
107.25719	1.2
111.00874	44.8
122.88339	1.3
125.63320	1.5
126.45703	1.4
129.01924	30.5
130.67422	1.3
147.02960	5.9
161.04556	1.9
174.06117	1.3
187.02394	2.5
192.82600	1.4
203.00053	1.4
205.03537	37.5
223.04607	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.2
57.03446	15.0
59.01373	9.9
68.75384	1.2
71.01372	8.6
72.99316	1.5
73.02930	1.8
75.00874	5.5
81.99145	1.2
83.01379	12.6
85.02943	100.0
101.02426	13.7
103.04059	1.2
111.00871	47.8
120.33302	1.3
129.01929	26.2
130.28891	1.3
147.02968	5.6
161.04517	1.6
177.21445	1.6
187.02521	2.2
194.28935	1.6
205.03532	39.1
223.04565	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	222.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11510	2.2
58.04099	100.0
58.84682	2.3
59.01371	3.0
81.07075	11.5
81.65498	2.7
82.04082	12.7
84.05649	2.9
108.00887	2.7
136.11340	13.7
139.07643	42.6
139.27451	2.8
161.10803	19.5
178.13484	33.5
222.12456	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	223.0247
Annotation	2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione
Peak:m/z	Relative Intensity
51.23663	0.3
52.14931	0.4
55.01875	0.4
57.03435	2.9
59.01379	1.1
69.01140	0.5
71.01362	1.7
75.00852	0.4
83.01369	1.1
85.02936	17.6
93.03420	0.5
98.94264	0.4
101.02428	2.2
109.02934	0.7
111.00854	8.7
129.01921	5.8
133.03065	0.6
137.02444	1.8
147.02988	0.6
149.02417	2.6
151.00385	0.9
177.01981	2.6
193.01416	19.6
193.03200	0.7
205.01411	2.3
205.03542	7.1
221.00906	28.1
223.02481	100.0
223.04465	6.5
243.12251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95825	2.0
58.04097	20.6
59.01366	2.7
60.57936	2.0
64.04602	2.0
67.40265	1.8
68.58208	2.3
75.36993	2.1
82.06593	8.8
94.66570	2.0
100.04069	3.1
109.05418	1.9
110.07234	24.3
124.08802	15.6
124.11287	3.3
136.05153	3.0
140.72313	2.0
155.08545	1.9
157.29500	2.1
178.13419	2.8
195.64525	2.1
210.26057	2.1
222.12462	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	222.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04094	23.6
80.05024	1.3
80.45719	1.4
81.04585	1.5
82.06615	15.9
83.00883	1.5
110.07230	19.2
118.95078	1.4
124.08799	20.7
124.69219	1.4
136.11304	19.4
139.07664	6.0
178.13528	6.6
222.12483	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	222.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76303	0.9
58.03851	1.1
58.04103	14.3
81.04586	1.5
82.06612	12.3
92.19352	2.3
108.47028	1.0
110.07210	18.3
114.92556	1.1
124.08778	21.4
124.11295	1.3
136.11281	11.0
139.07645	5.3
178.13499	6.9
187.51608	1.2
222.07823	2.0
222.12463	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	221.0817
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
51.25050	5.6
51.46701	6.2
51.57815	5.5
55.11483	6.3
57.81477	7.5
59.01377	91.1
69.03446	46.5
70.23920	6.2
71.05013	100.0
79.05518	11.2
85.77275	7.9
93.03444	45.1
101.05015	6.3
101.76508	7.3
106.03008	6.3
107.78854	9.0
109.95435	7.8
115.03942	7.7
121.02931	54.6
129.01962	14.0
133.10194	11.9
134.03741	28.8
147.00870	11.3
149.09683	9.8
159.11755	18.1
161.00635	7.0
165.09164	16.3
177.09241	35.5
177.12801	55.1
178.98552	13.3
184.74487	7.9
193.12392	61.6
221.08194	47.9
221.11852	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1134
Annotation	Maokonine
Peak:m/z	Relative Intensity
59.01363	1.6
72.04535	1.9
86.02460	24.9
91.05513	20.1
92.19417	1.0
102.43295	0.7
103.05524	1.8
104.84335	0.7
110.69923	0.8
112.04041	0.9
116.04311	1.6
130.05064	13.2
132.03835	1.3
132.08150	4.5
138.23129	0.8
147.04504	63.2
160.07654	4.0
164.07129	1.6
178.08640	0.9
180.06633	1.7
204.02321	1.0
222.11340	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	221.0818
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
50.82011	1.3
53.07824	1.3
56.63558	1.2
58.17052	1.3
59.01376	38.4
69.03448	42.6
69.82145	1.3
71.01383	3.9
71.04610	3.4
71.05009	100.0
72.99297	2.1
73.02941	14.1
81.62132	1.6
85.02924	1.4
87.04492	2.2
101.02424	10.7
107.05001	1.9
113.02433	3.4
115.03974	20.4
121.02933	48.6
129.01932	2.6
131.03494	14.4
131.04323	1.6
134.03723	26.7
145.01393	6.7
147.00851	12.2
147.08159	2.8
149.09711	14.5
161.04562	1.9
162.80556	1.7
177.09163	15.5
203.01982	9.0
221.02992	16.1
221.08130	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	221.0666
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
55.01888	1.1
57.03452	1.0
58.00603	1.0
59.01378	100.0
69.03466	3.5
71.01375	35.4
72.99284	1.1
73.02936	88.0
75.00877	1.4
83.01388	12.2
85.02928	8.8
85.52139	1.0
88.78809	0.8
89.02427	9.1
95.01449	0.9
97.02930	1.7
100.34431	0.9
101.02431	31.9
113.02426	18.2
115.03994	3.3
129.01956	3.6
131.03476	5.3
145.01468	0.9
162.03203	19.8
177.05562	3.3
185.25911	0.8
199.74637	0.9
203.01979	1.1
221.04558	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0819
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
50.28743	3.5
54.39490	3.9
55.92652	4.1
59.01374	71.1
68.31911	4.0
71.05013	69.6
89.86027	4.2
104.48199	4.5
107.04972	6.6
113.02444	5.1
115.04023	6.2
121.02929	35.0
134.03723	100.0
138.46465	5.2
147.00902	10.1
149.09641	6.0
175.39215	5.0
177.09227	10.9
178.98590	6.1
221.08188	42.6
221.11771	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	221.0664
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
59.01375	100.0
60.49314	1.8
65.25952	1.6
71.01366	28.9
73.02936	54.2
75.00880	2.5
83.01397	7.7
85.02922	10.3
89.02426	7.0
101.02428	32.1
113.02415	17.7
115.03995	8.5
131.03471	3.2
145.01410	2.9
203.01947	2.2
211.27702	1.7
221.02698	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	221.0667
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
59.01377	100.0
64.21025	0.9
69.03447	1.4
71.01370	30.1
73.02938	71.5
75.00857	1.6
80.96500	1.6
83.01379	10.3
85.02950	9.6
88.21356	0.9
89.02427	5.7
95.01377	1.3
101.02423	27.8
113.02432	13.7
131.03474	3.7
137.46529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.03
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35635	0.9
53.23037	0.9
53.58692	1.1
57.03435	5.6
59.01377	41.8
69.03447	4.7
71.05003	5.0
72.52944	1.1
72.99298	9.0
73.02925	4.7
81.03446	4.4
83.01373	6.6
84.01699	1.3
85.02925	6.5
87.04498	28.0
90.04517	1.1
91.87492	1.0
97.02936	9.3
99.00887	1.9
99.04496	6.6
101.02425	31.1
103.04034	1.1
107.05004	2.0
113.02432	9.6
115.03986	100.0
123.04485	1.3
125.02421	13.6
126.02780	1.3
126.58916	1.1
127.02896	8.7
129.01909	19.9
131.03477	63.3
135.04561	1.4
141.01923	2.2
143.03464	1.3
145.01405	29.9
145.03929	1.4
147.02979	7.2
157.08681	1.5
159.02962	8.8
159.04185	1.0
161.03445	8.4
187.02437	1.5
189.02931	7.2
203.01958	44.9
203.03842	1.4
221.02994	60.3
221.08574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0665
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
50.26268	0.5
52.44273	0.6
54.99678	0.6
57.03455	3.0
59.01375	100.0
63.55845	0.6
63.98922	0.6
69.03444	3.1
71.01372	30.4
72.99297	3.8
73.02933	73.5
75.00848	1.3
82.97311	0.6
83.01375	8.7
85.02945	9.7
86.02371	0.7
86.96426	0.7
87.00836	0.8
87.04491	8.3
89.02422	5.5
89.22235	0.8
92.19887	1.0
95.01351	2.5
97.02950	3.3
99.00874	1.4
101.02425	38.3
113.01669	1.2
113.02422	21.1
115.03989	33.2
119.38168	0.8
125.02380	0.8
126.18576	0.8
129.01942	8.4
131.03485	27.1
133.06921	33.4
139.03911	0.8
145.01434	14.7
147.02989	1.5
159.02916	1.7
161.04581	0.8
177.05591	1.0
185.32428	0.7
186.53636	0.7
203.02010	16.5
212.79620	0.7
221.03003	22.1
221.06487	0.9
221.08446	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	221.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11261	1.6
57.03434	3.8
59.01374	35.5
63.38199	2.3
69.03438	3.4
71.04998	2.8
71.31472	1.7
72.99309	10.8
74.32214	2.1
78.95876	1.9
85.02940	4.0
87.04494	20.7
97.02944	2.5
101.02430	23.7
113.02409	4.9
115.03991	100.0
129.01917	20.3
131.03476	68.7
145.01381	30.6
147.02948	3.3
159.02936	3.3
203.01968	41.9
221.03035	56.1
221.06490	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	221.03
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
57.03433	3.9
57.83318	1.5
59.01375	56.7
69.03443	3.9
71.01363	3.7
71.05022	6.5
72.99305	15.6
73.02943	4.1
75.00887	2.0
82.09525	1.9
85.02949	9.6
87.00859	2.8
87.04491	24.2
89.02429	2.7
97.02894	7.4
99.00879	3.8
101.02426	32.1
113.02425	11.2
115.03996	100.0
129.01921	42.9
131.03485	70.8
141.01968	1.9
145.01428	35.1
145.02487	3.1
147.02986	10.3
159.02943	7.2
162.42944	1.8
203.01999	44.4
219.26222	1.7
221.02989	60.6
221.04895	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	221.0301
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
56.71567	0.9
57.03448	4.2
59.01377	39.5
60.60258	0.8
64.95243	1.0
69.03442	4.1
71.01357	2.1
71.05002	1.8
72.99303	12.4
75.00862	1.3
85.02939	5.2
87.00870	1.3
87.04497	23.9
97.02921	5.6
99.00854	4.7
101.02425	33.0
113.02454	7.2
115.03989	100.0
128.38310	1.1
129.01913	24.0
130.03778	1.0
131.03479	65.0
141.01852	1.3
145.00343	1.9
145.01411	35.1
147.02969	8.0
159.02969	4.8
194.27428	1.1
203.01964	44.4
221.03006	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15747	1.3
57.03442	13.1
58.46945	1.2
61.87309	1.4
81.03446	2.4
83.01405	1.9
83.05012	2.2
85.02923	2.2
87.46814	1.5
99.04521	2.0
105.41766	1.7
120.05792	6.1
121.06612	2.1
125.02457	5.5
127.00426	1.5
135.08159	13.6
137.09706	10.8
140.60721	1.3
145.06516	2.8
148.05299	2.0
149.09683	8.8
157.45424	1.6
159.02959	3.2
160.08916	21.1
161.09697	7.4
163.07635	8.2
175.11211	3.7
177.12843	20.3
185.09692	2.5
187.02301	1.9
189.11130	3.5
189.12840	92.8
191.14423	6.8
201.12852	30.4
204.11559	20.2
217.12396	1.9
219.13885	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	219.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88457	1.1
51.15077	0.9
57.03449	10.8
59.76526	1.2
61.47371	1.1
69.03452	1.6
77.65817	1.1
80.88953	1.1
81.33700	1.1
83.05006	1.8
85.02945	2.0
92.61778	1.2
120.05785	7.4
121.06508	1.7
122.30234	1.2
135.08159	12.2
137.09711	10.1
138.42854	1.2
145.06532	2.5
148.05235	1.3
149.08577	1.2
149.09669	11.0
155.44734	1.2
160.08914	28.3
160.10239	1.5
161.09669	6.4
163.07607	9.3
171.05159	1.3
173.09680	1.9
175.11258	2.9
177.12819	21.5
185.09621	1.7
189.12852	91.6
191.14381	5.8
201.12851	34.2
203.10670	1.7
204.11536	26.0
211.62047	1.2
219.13892	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	219.1025
Annotation	Flossonol
Peak:m/z	Relative Intensity
56.81193	0.6
58.81154	0.5
79.74948	0.7
92.03259	0.7
92.19382	0.5
119.04990	1.4
135.04468	0.7
148.05286	5.2
149.06111	2.3
161.06075	22.2
175.07578	1.3
180.04282	1.4
185.06078	3.9
186.06854	0.8
201.09213	57.6
203.07094	2.6
215.46931	0.6
219.10257	100.0
222.57867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	8.4
62.52700	1.5
75.02065	1.5
83.05042	1.5
120.05781	6.0
121.06583	1.8
135.08170	15.0
137.09697	15.0
145.06558	7.1
149.09697	7.4
160.08937	27.6
161.09720	7.1
163.07669	9.0
175.11203	3.9
176.29277	1.6
177.12851	24.9
185.09656	2.4
189.11139	3.4
189.12843	98.7
191.14406	3.7
200.51691	1.5
201.12860	33.4
203.10760	1.6
204.11508	23.3
219.13889	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	219.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61932	0.7
54.79576	0.7
57.04441	0.7
59.01369	1.6
59.16784	0.7
70.35984	0.9
72.46030	0.7
81.03446	25.8
83.00904	1.6
83.01379	28.6
83.05023	4.1
85.02934	1.4
87.04496	4.8
96.08241	1.0
96.79619	0.9
97.02360	1.6
97.02937	26.7
99.04507	30.9
101.06072	1.5
113.06054	0.9
115.04006	6.5
125.02430	100.0
127.00362	11.3
129.01888	0.9
143.03485	17.8
145.05046	4.2
157.05042	6.0
157.08652	3.4
159.02971	41.8
159.06560	1.0
173.08121	0.9
187.02490	36.4
201.04010	1.7
201.07683	1.3
219.05135	11.5
219.08719	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	219.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99439	1.0
59.01382	1.8
72.99294	1.1
81.03443	27.5
83.01376	32.8
83.04998	1.3
84.63994	1.1
85.02934	1.0
85.86405	1.3
87.00881	1.4
87.04496	6.1
93.89153	1.0
95.90051	1.0
97.02937	34.2
99.04501	32.3
115.04006	8.3
125.02427	100.0
127.00366	11.3
136.00748	1.2
143.03482	17.2
157.05043	7.0
157.08632	1.9
158.43506	1.2
159.02977	47.6
159.06612	1.7
187.02492	35.2
201.04073	1.3
219.05113	9.1
219.08739	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	219.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
57.59415	0.7
59.01388	0.9
67.42329	0.8
73.02913	0.8
81.03444	24.0
83.01370	32.7
85.02950	1.2
87.04492	6.4
97.02929	32.8
99.04502	33.0
107.21696	0.7
111.08170	0.9
113.52240	0.9
115.03999	8.2
125.02420	100.0
127.00363	13.0
143.03491	14.7
157.05034	7.3
157.08653	1.5
159.02968	44.9
187.02444	38.5
201.04076	1.3
219.05089	10.8
219.08702	3.7
231.02080	0.8
233.05647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07843	0.6
62.72455	0.7
64.59829	0.7
70.45600	0.8
71.01373	12.4
71.05016	12.6
80.68837	0.7
83.71600	0.7
88.04027	100.0
92.00220	0.9
99.04518	5.2
111.01061	0.9
111.23080	0.8
116.07131	1.6
146.08221	63.5
218.10330	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	218.0821
Annotation	(2S,3R)-2-Hydroxy-3-(indol-3-yl)butanoate
Peak:m/z	Relative Intensity
55.37181	1.0
69.98763	0.8
70.02953	1.8
82.02979	10.1
83.03759	6.0
91.05515	24.8
96.60519	1.0
118.06613	100.0
126.31662	0.9
127.40350	1.1
131.05038	1.0
144.08200	1.5
156.08183	10.3
174.06752	0.8
174.09229	7.8
215.83801	1.3
218.08163	7.0
218.13794	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	218.0668
Annotation	O-Succinyl-L-homoserine
Peak:m/z	Relative Intensity
54.48697	1.2
58.02971	1.2
59.01373	7.3
60.29467	1.0
71.01373	21.3
72.04523	9.4
73.02914	1.3
73.88794	1.2
74.02481	2.3
78.02730	1.4
82.02977	18.2
83.01374	12.0
84.04506	10.7
85.02939	1.5
86.02473	1.4
86.06096	18.0
88.04028	31.7
96.04534	2.4
98.02465	41.1
98.06107	1.9
100.04037	12.9
101.02438	9.1
102.05590	23.1
103.02250	2.0
103.04005	11.8
112.04034	36.4
114.01985	1.5
114.05581	19.8
115.00343	9.8
125.75153	1.2
126.03799	2.1
126.05581	12.5
128.03519	2.0
128.07123	1.1
130.08701	6.7
132.03003	2.6
138.05557	2.9
142.05084	4.9
144.06589	4.1
146.04648	1.9
146.08263	1.6
156.06697	3.1
172.06137	39.3
174.07704	47.8
174.11386	2.1
174.22931	1.3
200.05602	5.7
200.09264	6.9
214.06410	1.5
218.06694	100.0
218.10321	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	217.108
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
53.52851	0.5
58.65076	0.7
58.70329	0.6
62.41656	0.5
127.11273	2.8
137.09663	2.8
143.12616	1.2
151.19875	0.7
153.09245	0.8
155.09496	1.5
155.10771	42.8
171.10258	59.2
171.12131	4.5
187.72762	0.7
199.09804	4.3
217.10812	100.0
217.12541	4.4
217.14378	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	217.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.0
59.64303	0.9
126.74022	1.1
127.11274	1.6
137.09703	4.8
147.92934	1.0
155.10774	41.5
161.74768	1.1
171.10246	56.0
199.09856	8.0
217.10803	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	217.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65387	2.8
59.01380	100.0
59.85937	2.5
60.79303	3.3
62.10933	3.3
71.01347	4.5
72.99291	4.3
89.02441	11.6
92.19948	4.7
99.04536	5.0
101.02431	4.7
120.88171	3.0
136.71059	3.1
140.35912	3.1
173.09258	7.6
174.99211	56.7
181.07152	38.5
217.00267	24.2
219.29962	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	216.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35520	0.9
63.18529	1.0
68.78239	0.9
72.04544	2.0
72.29623	1.0
85.02940	8.7
85.16340	0.9
93.08839	1.1
101.02461	1.4
124.44020	1.1
129.01955	8.0
142.12366	54.0
150.33334	0.9
160.48030	1.0
165.76382	1.0
168.10286	16.2
170.11856	100.0
198.11324	13.4
199.42775	1.1
216.12411	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.9811
Annotation	5-Sulfosalicylate
Peak:m/z	Relative Intensity
50.97614	0.2
52.08621	0.2
55.57019	0.2
59.01364	1.5
70.10985	0.3
72.99294	1.4
75.00859	0.6
77.48084	0.3
79.95724	9.5
80.96507	5.7
82.18606	0.3
83.05006	0.4
87.00883	0.5
87.04477	0.4
97.02879	0.3
97.06581	0.5
99.04488	0.6
99.08128	0.4
109.02933	19.8
111.08150	0.7
113.06071	0.5
127.03966	0.4
127.07581	0.4
129.05539	0.3
137.02423	13.3
141.05579	2.0
151.08905	0.3
153.09218	0.6
155.07111	1.9
157.05119	0.3
173.08180	2.4
185.04512	0.3
187.97868	3.5
188.98633	41.8
194.16805	0.3
199.06094	0.8
199.09735	0.5
216.98111	100.0
217.07225	3.7
217.10774	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	216.1239
Annotation	O-propanoyl-carnitine
Peak:m/z	Relative Intensity
51.06424	0.7
51.50752	1.0
57.03441	1.4
72.04558	3.2
83.01346	1.3
85.02956	8.7
90.64497	1.1
101.02417	2.2
101.15013	1.0
114.56925	0.8
125.09687	2.0
126.10033	12.5
129.01886	8.3
142.12361	55.0
154.09549	2.3
154.12352	4.8
168.10263	19.1
170.11850	100.0
172.10620	10.7
193.64217	1.0
198.11378	11.4
216.09676	3.2
216.12398	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1399
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
50.76471	1.2
59.01368	1.2
60.00665	1.0
72.00911	1.5
74.02473	7.0
82.02968	5.9
84.04531	23.2
86.02475	2.6
92.19376	1.3
128.03520	15.7
128.10834	2.5
141.10355	9.1
142.12332	1.6
153.09169	2.1
154.12350	2.0
162.56929	1.2
167.11934	6.1
169.13460	7.9
171.10245	1.3
171.15022	11.0
195.11496	1.2
197.12950	97.3
215.09300	5.4
215.14006	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	215.165
Annotation	11R-hydroxy-dodecanoic acid
Peak:m/z	Relative Intensity
55.66760	0.7
59.01377	100.0
61.98818	0.7
62.31023	0.7
86.55138	0.6
88.66052	0.8
122.89410	6.8
125.09726	1.3
142.92126	0.6
168.88644	1.0
186.89835	5.4
215.00940	5.1
215.13139	0.7
215.16513	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	215.1651
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
59.01367	0.3
68.89311	0.3
83.05101	0.4
116.92893	0.3
117.90559	0.3
118.43458	0.3
125.09708	1.6
139.11290	4.2
160.76585	0.3
169.15974	4.8
183.10237	1.7
197.15451	2.9
201.11336	0.4
213.14957	1.2
215.01031	3.0
215.16521	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	216.0876
Annotation	CJ 15801
Peak:m/z	Relative Intensity
50.80559	1.1
53.26108	0.8
66.22140	1.0
70.02969	1.7
71.01372	12.8
77.98711	1.2
81.84173	1.1
88.04028	100.0
93.40334	1.0
95.86848	1.1
96.99284	7.1
100.07673	97.2
101.06068	31.4
114.01923	5.6
115.00362	29.3
128.86520	1.2
132.02988	5.7
154.08720	7.6
170.57545	1.2
172.09790	41.8
172.40901	1.2
198.07669	8.1
216.08766	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1286
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
56.96078	0.7
68.48093	0.8
68.51487	0.8
87.00883	0.9
111.76995	0.8
114.47937	0.9
125.09693	6.4
133.69511	0.7
153.12839	53.9
171.10275	4.6
171.13838	1.0
197.11816	63.7
200.04718	6.0
215.00905	7.5
215.07146	27.4
215.12868	100.0
226.16730	0.8
228.84459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1288
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
53.81345	0.6
57.03439	1.4
59.01368	1.5
70.39183	0.6
71.05010	0.9
75.72550	0.6
78.49154	0.7
83.05020	0.8
85.02959	1.5
88.35650	0.6
98.15467	0.7
111.08147	9.3
113.09716	6.0
125.09704	26.5
141.12868	5.0
151.11276	1.0
153.09264	5.2
153.12830	3.0
169.12358	1.3
171.10265	23.7
171.90131	0.7
172.06671	0.7
195.10213	1.5
197.08154	2.5
197.11844	2.8
215.00969	8.0
215.09618	10.7
215.12869	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	215.1287
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
53.22528	0.6
61.23705	0.6
64.24522	0.7
64.73935	0.6
71.05003	23.8
71.39835	0.6
76.85870	0.7
79.92197	0.7
80.76958	0.7
83.05006	1.2
85.06581	3.3
92.42842	0.6
103.05134	0.7
105.56490	0.7
111.08109	2.8
113.09676	0.9
125.09685	4.6
141.12856	9.1
151.11263	4.1
153.09070	0.7
153.12843	1.7
153.49713	0.7
169.12321	39.9
171.10304	1.4
171.13878	20.0
197.11827	17.8
215.09479	2.4
215.12866	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	215.1287
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
59.01365	4.0
109.51498	0.8
118.06592	0.9
121.47903	0.7
125.09705	5.1
141.12831	1.0
151.24583	0.8
153.09169	1.1
155.10773	17.6
167.10762	3.9
169.12328	5.1
171.10266	16.4
179.10735	4.2
185.11830	9.6
197.11823	21.7
197.13486	1.2
213.11299	0.9
215.01001	4.9
215.09497	2.9
215.12872	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	215.0925
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
57.03447	30.4
58.12966	0.9
60.15014	0.9
60.60048	0.9
61.23333	0.9
69.03437	2.4
73.02944	2.5
85.02930	5.3
87.00860	17.8
90.46439	1.0
111.08134	6.5
125.09708	56.2
125.10632	2.3
126.97092	1.1
127.07623	11.8
135.08083	1.2
153.09192	23.9
169.08719	1.8
171.10257	100.0
197.08128	1.9
198.36174	1.0
215.00978	5.6
215.09254	81.1
215.12614	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	215.0925
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
89.61427	1.6
125.09708	100.0
132.95532	1.9
153.09203	12.2
155.93983	1.8
169.08737	1.7
171.10248	84.8
197.08208	2.5
215.01009	3.0
215.09271	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0925
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
59.58742	1.1
79.03439	1.2
80.19514	1.1
103.13083	1.2
125.09707	100.0
153.09187	13.1
164.08281	1.2
169.08643	2.1
171.10260	91.4
178.57207	1.2
197.08197	7.9
200.88084	1.3
215.09261	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84323	0.4
67.35735	0.4
71.55170	0.4
88.04017	3.1
89.57572	0.4
132.03018	0.9
170.11856	100.0
178.94846	0.4
195.27327	0.6
196.09775	4.4
214.07178	0.7
214.10869	9.3
218.80087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1085
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
55.01873	0.5
57.03452	2.5
72.04536	11.8
82.06598	0.6
83.01363	0.7
89.40829	0.5
102.05546	0.6
137.88855	0.6
140.10800	3.1
142.12363	100.0
142.89142	0.6
157.23364	0.5
168.10286	41.0
170.11859	42.5
196.03677	1.1
214.10849	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	215.0826
Annotation	Lycoperodine 1
Peak:m/z	Relative Intensity
50.22079	1.2
59.01358	2.2
72.00897	13.7
84.51085	1.6
86.01955	3.4
86.02466	94.0
92.05045	79.3
116.05042	81.8
116.05712	1.6
116.05871	1.9
142.06610	30.3
143.06129	2.2
144.08192	13.2
154.06621	7.7
156.06924	11.0
169.07639	14.4
171.09254	100.0
171.10684	3.6
197.13026	2.8
215.01007	2.2
215.08177	46.7
215.13924	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	215.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29040	0.9
56.67211	1.0
59.01385	2.1
61.95783	1.2
73.02940	8.5
79.45325	1.0
86.58819	1.1
88.41885	1.0
91.65049	1.1
97.06560	4.5
99.00872	1.5
112.32677	1.1
118.14046	1.0
125.09692	9.9
127.11298	5.2
133.53360	1.1
141.09241	1.4
143.10757	4.6
153.09215	17.6
155.07155	2.4
168.80931	1.2
171.10255	100.0
197.08212	5.2
206.50200	1.2
215.00858	2.2
215.09256	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
54.04255	2.1
56.82862	2.6
59.01383	2.9
72.81615	2.2
83.05025	16.2
87.86871	1.9
89.14740	2.2
91.66008	2.4
93.83710	1.9
95.04971	2.6
97.06585	13.8
149.09708	5.2
151.11273	63.2
169.12325	50.8
177.09206	2.6
195.10262	51.2
207.30524	2.3
213.05576	9.4
213.11313	100.0
213.14566	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	213.1133
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
59.01381	0.8
60.25753	1.0
67.33181	0.7
150.00697	0.9
151.11307	14.8
169.12328	100.0
176.94559	1.0
192.67505	0.8
213.11345	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	213.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62761	0.8
53.40334	0.8
59.01366	1.1
61.20111	0.8
66.59921	0.9
67.93155	0.8
75.50390	0.9
123.08165	1.9
151.07629	1.9
166.68024	1.0
167.14328	1.1
169.08702	1.5
174.94220	0.9
183.13890	3.8
195.13896	18.9
211.13321	1.7
213.07751	1.9
213.14966	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	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.20225	0.8
51.29607	0.9
59.01376	1.4
61.52383	0.9
70.67614	0.9
114.58465	1.1
120.82533	1.1
123.08141	5.3
151.07635	1.9
169.12328	5.3
183.13899	30.6
195.13908	27.6
213.14958	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	214.0721
Annotation	Succinylproline
Peak:m/z	Relative Intensity
51.18596	0.5
56.40744	0.6
59.01345	0.8
60.16394	0.5
71.01378	14.3
71.05009	0.7
84.04529	0.6
85.82844	0.6
88.04030	26.1
96.99294	5.0
98.06102	100.0
99.04505	25.2
99.05004	0.5
108.08172	3.1
110.06068	0.9
111.39025	0.6
114.01974	4.4
115.00355	34.2
124.07698	1.2
126.09233	10.0
141.05511	0.7
142.05081	1.1
152.07146	10.6
155.87407	0.6
156.99519	0.6
170.08212	46.1
170.11798	5.7
185.92053	0.8
196.06142	4.9
197.09061	0.6
214.07207	38.8
214.10669	1.9
214.46730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0768
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
50.59644	3.8
59.01372	21.5
59.87768	3.9
73.34921	3.8
77.94393	4.7
92.19356	5.0
93.48897	4.5
97.06605	6.5
104.25033	4.1
115.64256	5.2
118.86526	4.6
123.08138	100.0
125.09723	71.0
141.09195	9.0
151.07634	84.4
169.08690	42.2
195.06679	8.4
209.18178	5.1
213.07637	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26810	0.7
57.04244	0.8
62.01578	0.7
78.72048	0.8
89.95625	0.8
138.18417	1.0
151.11279	8.6
169.12326	100.0
208.74142	1.0
213.11290	15.8
213.14757	0.8
213.18535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0767
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
59.01376	16.6
64.87775	4.3
69.21720	4.0
89.16149	4.7
92.88352	4.2
94.25496	5.5
97.06570	9.1
107.65432	4.3
123.08138	100.0
125.09683	50.1
133.06528	4.9
141.09196	6.9
151.07637	68.9
169.08707	48.4
195.06557	6.7
213.07671	33.0
219.16980	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	213.0769
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
59.01384	26.5
67.11060	2.5
77.61087	2.6
83.75958	2.6
97.06612	4.1
123.08157	100.0
125.09715	56.0
133.06593	11.3
141.09212	6.5
151.06519	3.9
151.07639	75.2
169.08710	49.6
194.87946	2.5
195.06630	14.1
199.62825	2.7
213.07712	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82970	0.9
53.73257	1.0
55.01876	7.0
55.67293	1.0
55.92944	1.0
57.03447	48.1
62.60463	1.1
69.03439	1.8
71.01373	25.4
80.85830	1.2
83.01375	7.1
85.02940	35.9
99.86099	1.0
110.00050	1.6
111.00855	7.8
113.02428	100.0
125.99567	64.0
126.00266	1.3
127.63229	1.0
134.96848	1.3
139.00385	8.9
141.01910	7.1
169.01396	9.9
185.00966	9.6
186.66425	1.2
213.00400	5.4
231.65802	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	213.0769
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
57.03452	7.3
59.01365	28.4
66.51823	4.9
67.05512	6.2
68.61247	6.5
69.03454	35.2
70.79922	6.5
71.05005	11.5
75.91786	4.6
78.95925	5.6
87.00873	26.2
93.27436	4.8
96.96943	6.2
97.02930	7.0
115.04018	11.5
123.08142	62.1
125.09704	61.4
127.00051	7.4
128.96378	5.3
142.89793	22.6
151.07600	65.0
152.99496	6.3
157.17656	6.7
169.08699	100.0
213.07661	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27308	4.4
59.01385	39.0
69.03450	5.4
87.00851	7.1
91.05154	4.8
97.06568	9.0
113.11741	5.1
123.08152	100.0
125.09711	68.9
133.06598	11.3
139.93484	5.6
141.09137	8.2
151.07635	86.7
169.08691	77.6
171.12280	5.8
195.06630	11.3
213.07672	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0767
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
59.01371	24.2
60.54638	2.8
64.08505	2.9
67.05518	3.0
76.19036	3.0
79.97835	2.7
97.06576	5.3
123.08149	100.0
125.09693	59.8
130.07381	3.3
133.06563	7.1
141.09206	7.2
151.07619	70.4
167.07204	3.7
169.08659	55.3
195.06592	14.7
213.07678	57.9
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
59.01367	3.4
62.16619	0.8
66.47770	0.7
67.03542	0.9
70.54214	0.7
77.71383	1.0
132.05038	0.9
146.83516	0.8
166.32841	0.9
166.91032	3.1
167.10704	1.5
167.14479	3.0
183.13898	13.6
193.12341	4.1
211.13394	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	212.0057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97559	2.4
62.65297	0.5
68.81535	0.5
70.06606	2.9
76.97019	0.9
79.95729	28.5
80.96500	11.1
103.32404	0.7
104.01724	0.9
108.96014	4.6
116.06413	1.1
116.07166	19.8
124.03971	0.7
129.98576	0.7
130.03275	3.4
140.93217	20.4
167.95514	2.2
180.03355	100.0
182.96690	3.1
193.99516	4.1
196.98228	1.5
206.19563	0.8
212.00560	36.6
212.02597	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	212.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81361	0.2
60.97533	0.2
70.06589	0.3
72.39291	0.2
79.95725	1.6
80.96518	1.0
104.05389	3.2
111.02413	0.2
116.07158	3.2
116.97891	0.2
126.73628	0.2
132.04877	100.0
148.04352	3.7
152.03865	5.5
168.01447	0.2
168.04874	0.3
212.00545	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	211.0975
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.79011	6.6
59.01374	50.2
64.29810	6.1
66.72702	5.8
76.47911	6.3
97.02934	12.7
107.92835	14.8
124.85589	6.7
127.72484	7.0
149.09642	12.0
151.91786	12.5
156.42371	7.3
166.90988	8.7
167.10786	34.4
193.08604	51.7
211.09766	100.0
211.13408	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.14388	2.3
54.57537	2.2
59.01371	10.9
85.76879	2.6
166.91043	4.1
166.93700	4.0
181.12320	14.2
183.13884	5.7
193.12340	25.9
197.50105	2.7
207.86919	2.6
211.07980	3.4
211.13414	100.0
222.34210	2.8
225.29564	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	211.1339
Annotation	DIHYDROJASMONIC ACID
Peak:m/z	Relative Intensity
53.69453	2.7
59.01373	25.3
68.71867	3.1
86.27337	4.2
103.20944	3.1
107.92815	5.9
138.97301	4.0
151.91766	15.9
166.91014	5.1
166.93823	6.0
167.14409	4.2
183.13889	19.0
210.82236	4.1
211.13388	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	209.1547
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.00754	1.3
59.01373	7.5
120.02123	8.5
121.02939	100.0
157.60619	1.9
164.94086	1.8
179.24704	2.1
182.49831	2.0
189.59454	1.7
192.07997	1.7
197.38440	2.0
208.82494	1.8
209.04524	11.5
209.11865	7.6
209.15450	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11356	0.6
54.22943	0.6
59.12360	0.6
63.95389	0.6
71.91599	0.6
96.96021	0.9
97.14671	0.6
100.47399	0.7
108.02158	38.8
108.02891	1.4
123.04502	14.5
152.01137	100.0
166.91019	1.2
167.03484	14.5
196.00148	9.0
208.01782	0.7
211.02475	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0248
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
54.01910	0.4
59.01367	0.8
59.55611	0.5
62.38802	0.5
64.05531	0.5
79.05524	13.5
81.03443	10.9
83.01383	1.0
95.06514	0.6
108.02157	4.1
123.04504	98.2
138.89030	0.6
146.40108	0.6
148.01653	5.2
151.03951	0.8
152.01144	13.1
153.05583	7.0
163.04010	7.6
166.91095	2.2
167.03484	100.0
181.05037	10.8
207.57991	0.7
211.02461	15.9
211.06084	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	209.1183
Annotation	Pulchellon
Peak:m/z	Relative Intensity
53.07585	1.8
53.36140	1.5
55.19644	1.9
59.01379	55.8
69.03452	4.6
71.01389	2.3
91.84048	2.0
93.07068	4.1
119.08659	24.0
120.02140	3.2
121.02080	3.9
121.02939	100.0
121.70918	2.1
133.10103	2.1
135.11807	21.1
147.11778	36.6
164.94128	3.0
165.09209	7.0
165.12836	10.0
173.09665	2.5
179.10793	18.9
191.10782	15.7
209.04530	11.2
209.08299	9.5
209.11807	36.5
226.63889	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
52.71276	0.8
55.20626	0.7
56.08707	0.7
57.03440	1.8
59.01377	100.0
77.52219	0.7
81.03446	0.9
82.39082	0.7
94.28119	1.0
97.06567	4.6
109.06574	4.8
121.02930	8.7
165.12823	7.1
209.11841	13.9
214.24249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
57.03451	3.3
58.40221	1.3
59.01377	12.6
71.01371	16.7
71.05025	1.6
72.70803	1.6
78.38476	1.4
83.01368	8.5
83.05019	2.6
84.02193	1.5
95.05040	1.4
97.06544	3.0
100.29745	1.5
111.08125	1.8
116.01990	1.3
120.02157	2.6
120.68962	1.5
121.02949	51.2
124.09943	1.5
125.09689	13.1
147.11824	2.1
151.03583	1.6
151.11246	17.3
153.12851	2.2
163.11252	13.4
164.94081	9.9
165.12836	18.7
166.92815	1.6
172.35095	1.5
173.09741	1.7
181.12346	48.3
191.10803	21.2
191.78470	1.7
208.82228	1.8
209.04501	7.3
209.09822	3.4
209.11826	100.0
209.42125	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	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
51.74146	1.3
59.00449	1.6
59.01371	2.6
64.12206	1.6
68.39561	1.6
80.91652	2.1
83.01373	14.3
109.46199	1.9
120.02134	7.0
121.02945	100.0
125.09731	12.5
138.48175	1.8
163.11313	6.8
208.82463	4.1
209.04530	11.1
209.10091	3.4
209.11852	56.6
209.15404	3.5
224.15948	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	209.1183
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
57.03439	2.2
59.01389	8.6
69.03443	14.2
86.70873	2.0
92.56942	2.1
103.71109	2.2
105.20179	2.4
121.02901	15.1
134.19031	2.2
135.08121	2.6
153.09161	3.9
162.65155	2.2
165.12811	16.0
181.12309	20.5
191.10823	22.9
209.11827	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	209.1181
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
54.53035	1.7
59.01378	21.6
69.17293	2.1
71.01366	7.3
71.27454	2.3
83.01379	14.1
83.04960	2.2
92.29706	2.2
111.08197	1.8
120.02122	4.6
121.02931	98.8
125.09691	14.5
151.11266	9.5
163.11247	12.1
164.94069	19.7
165.12796	15.3
176.94962	1.8
181.12360	19.3
191.10800	14.9
208.82390	2.4
208.93124	4.5
209.04477	9.7
209.11818	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	209.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11251	1.1
57.03446	24.5
57.50850	1.1
59.01383	17.4
70.44170	1.0
70.55693	1.2
71.01386	8.5
71.01721	1.0
73.02936	4.6
79.52737	1.1
83.01369	2.4
84.02148	1.6
85.02940	100.0
87.00866	27.2
87.04504	1.5
89.02422	6.6
97.02853	1.3
99.00859	7.3
101.02413	1.3
111.00842	9.2
121.02926	8.6
129.00969	1.9
129.01924	43.5
133.01416	1.5
141.01898	4.9
159.02946	7.7
165.01942	1.3
187.61266	1.2
191.01991	1.8
209.06667	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.45754	0.6
52.92471	0.6
59.01369	4.7
60.92333	0.6
64.36419	0.7
72.48600	0.6
72.93476	0.7
80.91703	0.7
111.86094	0.7
120.02164	1.6
121.02940	41.1
131.08459	0.7
152.03384	0.6
153.31107	0.7
154.12166	0.7
155.79329	0.7
164.94127	2.7
191.70903	0.7
208.82477	0.9
208.93105	0.9
209.04535	4.3
209.11833	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	208.1013
Annotation	octylsulfamic acid
Peak:m/z	Relative Intensity
52.16232	0.3
71.76371	0.4
79.95729	65.7
80.96511	8.9
135.18541	0.4
208.10126	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	208.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07627	2.2
58.04092	33.9
65.22054	2.0
67.03015	3.6
69.76701	2.0
71.56850	2.3
82.04089	16.9
84.05653	9.9
93.69830	2.3
96.06655	2.2
105.07042	4.9
114.97934	2.3
122.09733	5.2
125.06066	100.0
140.10295	2.5
147.04552	9.4
147.09210	8.2
149.06046	4.8
164.11905	9.7
166.08705	13.9
190.05099	11.2
208.10878	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04090	40.5
60.23721	2.7
67.02990	6.1
69.81029	2.5
79.51196	2.5
82.04098	17.7
90.74308	2.9
91.05518	5.1
99.28930	2.8
105.07082	11.8
118.06739	3.4
122.09695	12.7
125.06063	100.0
147.04507	35.6
147.09253	14.6
149.06062	3.8
164.07153	3.5
164.11911	12.1
166.08685	16.1
179.90817	3.2
188.18977	2.9
190.05048	37.7
208.06137	7.0
208.10924	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0664
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
56.68663	0.8
57.03185	1.1
57.03450	27.5
59.01375	20.7
60.50920	0.8
71.01372	7.7
73.02940	1.5
83.01387	3.9
84.02171	1.9
85.02937	100.0
87.00860	27.2
89.02431	7.0
92.19345	1.9
99.00848	6.6
101.02441	3.4
101.97745	0.9
105.12157	0.9
109.55054	0.9
111.00851	6.1
115.03957	1.2
129.01927	45.1
141.01923	5.7
154.35522	0.9
159.02968	11.6
179.88945	0.9
199.11946	1.0
209.06667	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0614
Annotation	p-Hydroxyphenylacetylglycine
Peak:m/z	Relative Intensity
55.39436	1.3
72.00902	1.8
91.09097	1.3
93.03484	1.8
106.04237	10.5
107.05016	100.0
108.02108	2.0
119.04999	11.0
135.04529	9.0
147.04515	1.6
163.04021	12.4
164.07147	42.8
170.73201	1.3
180.06631	3.2
208.06155	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1388
Annotation	2-Hexyl-5-methylresorcinol
Peak:m/z	Relative Intensity
59.01373	1.8
62.48105	1.7
71.01373	8.2
71.91358	1.8
76.92400	1.9
83.05005	4.6
84.01640	3.3
84.02157	97.1
85.02927	3.5
87.04514	7.3
98.39167	1.8
104.23636	2.0
109.06544	2.6
118.40744	1.9
143.08585	2.9
151.11263	8.4
171.11748	2.5
177.12854	4.1
179.14430	21.4
185.02310	2.0
189.12843	20.9
207.06496	2.5
207.10069	4.2
207.11937	3.6
207.13896	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	207.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
68.59351	0.4
73.04635	0.4
75.72577	0.4
82.26102	0.5
88.19955	0.5
92.19981	0.5
108.19129	0.5
121.02950	2.0
123.04512	0.9
134.56985	0.5
142.35088	0.5
149.02435	3.8
163.03957	0.7
177.01924	83.3
191.03569	1.9
192.04289	100.0
207.06628	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	207.012
Annotation	2-Naphthalenesulfonic acid
Peak:m/z	Relative Intensity
51.50335	0.2
53.03476	0.2
56.21769	0.2
58.02975	0.7
58.15366	0.2
58.71981	0.3
59.01378	0.4
60.06003	0.2
63.25361	0.2
69.13433	0.3
79.36683	0.2
79.95714	5.3
112.52785	0.3
143.05009	19.2
163.04189	0.3
165.07471	0.4
177.01970	0.4
192.04282	1.1
207.01210	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	207.0661
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
64.19151	0.2
68.87004	0.3
74.06201	0.3
74.43484	0.3
104.33336	0.3
105.03443	0.6
133.02940	12.3
133.03873	0.6
149.02457	1.1
164.04807	1.7
177.01918	9.3
189.47803	0.3
192.04280	100.0
207.06607	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	206.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	27.9
70.02967	10.8
72.00898	3.4
74.08749	0.9
85.27525	0.7
91.05521	27.0
92.19942	0.9
100.17203	0.8
120.76186	1.1
139.46819	0.8
140.59621	0.8
147.04507	31.0
160.85258	0.9
164.07158	100.0
206.08214	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
55.58548	0.8
56.91161	1.0
58.02969	26.7
59.98192	0.9
60.43211	0.9
70.02965	12.8
72.00892	2.3
76.32840	1.2
91.05510	28.3
147.04497	39.6
164.07156	100.0
206.08200	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	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	27.3
70.02969	11.4
72.00899	4.3
91.05521	24.7
107.48296	0.7
109.78730	0.9
114.71208	0.8
121.89434	0.9
147.04506	29.2
164.07156	100.0
206.08209	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	205.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72036	0.4
57.03445	0.8
59.01358	0.6
61.82370	0.4
66.29350	0.4
75.04425	0.5
99.04508	3.7
101.02425	3.4
111.00875	0.4
115.03960	0.9
125.02422	7.2
143.03493	1.0
145.01411	5.6
163.11263	4.7
172.99619	0.4
174.41653	0.4
175.07599	1.0
175.11240	0.7
187.02444	2.2
187.11281	4.9
189.09224	3.2
190.09970	11.9
205.03497	2.6
205.12326	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	206.0456
Annotation	1-Nitro-5,6-dihydroxy-dihydronaphthalene
Peak:m/z	Relative Intensity
57.41225	0.6
77.90443	0.8
80.96514	2.9
96.08208	0.8
99.04498	1.8
100.04853	6.0
101.02422	4.6
102.02764	5.2
103.60322	0.7
115.03982	1.2
116.04340	4.2
125.02432	4.3
126.02763	20.8
135.04503	1.5
144.03795	2.7
144.08150	1.2
145.01414	3.0
146.01758	9.7
150.05659	1.4
160.04007	23.6
160.05261	1.2
162.05624	8.3
163.02701	3.4
163.04004	4.0
164.03517	3.4
176.82051	0.8
177.04398	1.1
178.05093	3.1
188.03625	20.3
189.04300	3.4
191.02232	23.2
205.03793	21.8
206.04587	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	205.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46843	1.2
56.25039	1.0
57.03447	7.5
59.01380	16.3
60.10644	1.0
63.04416	1.2
65.03922	1.5
67.01874	1.7
71.05025	3.2
72.99290	2.3
73.02934	8.2
81.03438	2.1
81.07088	1.6
83.01405	2.1
83.05016	70.5
85.02937	22.9
87.00862	22.2
97.06591	5.2
99.00867	1.6
99.04511	22.2
101.02433	100.0
102.42960	1.4
104.87362	1.3
110.84277	1.2
111.00867	74.6
115.03993	10.7
117.01994	2.3
125.01545	2.6
125.02436	68.1
125.06075	41.2
127.03997	54.2
136.23869	1.2
140.11037	1.3
143.03468	10.3
143.07133	21.2
145.01431	23.0
145.05029	12.4
154.99869	2.0
159.08611	2.5
169.05042	2.9
187.02446	12.1
187.06099	10.1
187.07733	1.5
205.03584	19.0
205.07236	34.3
205.09077	6.4
208.75633	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	205.0352
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
51.58053	0.6
53.69537	0.7
57.03440	3.1
69.44886	0.7
70.72050	0.7
71.05014	5.9
73.02939	1.1
73.91597	0.7
75.74870	0.7
75.89153	0.7
75.95686	0.8
81.03452	2.9
85.02942	0.9
89.91758	0.8
95.06768	0.9
99.00866	1.0
99.04507	37.9
101.01790	1.7
101.02427	42.2
103.72345	0.8
107.17066	0.8
109.70370	0.8
111.00858	2.0
115.03994	21.3
125.02423	100.0
143.03482	19.2
145.01410	52.0
147.54927	0.8
187.02472	32.1
205.03542	39.6
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
50.17605	0.6
50.72062	0.7
53.11344	0.6
54.78123	0.6
57.03430	1.2
71.04999	5.8
72.36032	0.6
73.02929	0.9
78.05898	0.6
81.03428	1.6
84.20902	0.7
87.65609	0.7
89.77357	0.6
93.10700	0.7
99.03842	0.8
99.04501	35.8
101.02428	41.4
115.03232	1.3
115.03991	19.2
117.05515	1.1
125.02421	100.0
131.81538	0.8
143.03491	16.9
145.01413	57.9
152.79610	0.7
160.78723	0.8
187.02457	29.1
205.03534	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07676	1.3
50.33025	1.4
53.21318	1.3
55.01862	3.3
57.03452	22.0
59.01356	2.4
63.99884	1.5
71.01366	35.7
72.99297	1.8
73.02921	3.1
73.46553	1.8
75.00852	10.0
83.01370	18.2
85.02937	100.0
99.04519	2.2
101.02419	21.4
103.04028	1.9
111.00852	58.2
115.03996	2.8
115.07588	3.6
125.02442	12.6
128.37083	1.8
129.01918	17.9
139.21831	1.7
143.03494	1.9
145.01450	5.5
161.04555	7.0
187.02451	9.7
205.03519	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
50.16171	1.0
54.06253	1.2
55.01872	6.4
57.03446	24.0
59.01371	2.2
64.37771	1.5
64.99296	1.1
67.01888	1.6
68.17841	1.5
69.95645	1.1
71.01369	22.3
71.05039	1.4
71.55659	1.2
73.02937	5.5
74.46925	1.3
75.00861	5.6
83.01373	18.8
85.02941	100.0
88.01673	2.2
99.04498	7.6
101.02420	23.6
101.75555	1.1
103.04000	2.1
104.52867	1.3
111.00867	58.4
115.04007	2.2
119.49473	1.2
125.02441	22.3
129.01938	13.1
135.61369	1.3
143.03502	1.9
145.01373	7.0
152.15364	1.3
161.04524	8.8
183.78342	1.4
187.02454	8.6
205.03531	39.6
205.15906	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	205.0352
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
57.03448	1.6
59.01381	1.4
71.05012	5.9
72.15827	0.8
73.02933	4.1
81.03457	3.9
82.05058	0.8
87.00864	6.9
96.50091	0.7
99.04508	32.8
101.02431	41.1
105.56796	0.8
110.03370	0.7
111.00858	10.5
115.03996	18.3
117.05573	1.3
125.02427	100.0
129.89105	1.0
143.03490	14.7
143.07112	1.6
145.01411	48.9
145.05043	1.2
187.02481	26.1
204.99910	1.0
205.03542	35.2
205.07216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.3
59.01380	7.6
63.16908	0.5
64.86565	0.5
65.97180	0.6
67.01877	3.0
71.01374	0.9
71.05012	3.3
72.98911	0.9
72.99304	22.4
73.02943	5.8
74.72525	0.6
75.00893	0.7
81.03450	2.5
81.07095	0.9
83.01376	4.5
83.05016	38.6
85.02945	20.0
87.00859	10.9
95.04955	0.6
97.06554	1.1
99.00873	5.4
99.04507	10.9
101.02432	59.7
111.00867	100.0
115.03994	5.8
117.01928	1.0
125.02431	36.5
125.06078	20.6
127.03996	28.3
127.04764	0.6
129.01903	3.5
143.03503	8.9
143.07126	11.6
145.01410	8.6
145.05078	6.2
154.99854	11.6
169.05072	2.7
173.00899	11.1
187.02492	6.7
187.06136	7.6
205.03551	12.6
205.07199	16.2
205.09070	2.7
214.24530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0875
Annotation	Casuarine
Peak:m/z	Relative Intensity
57.96775	0.7
58.02976	25.5
59.01372	1.0
69.03458	1.0
71.01381	0.9
72.99295	1.6
76.60227	0.7
84.04527	2.8
85.02934	8.1
87.00864	19.4
88.04030	1.4
98.02467	3.6
98.06094	4.9
100.04039	11.2
100.07673	1.2
108.04535	1.2
110.06078	1.7
112.04042	0.8
114.05578	5.9
114.09224	4.6
115.00355	0.9
116.07167	11.9
124.07649	4.6
128.07178	0.9
130.08717	0.7
134.04716	1.2
138.05608	4.4
140.07164	22.4
142.08742	3.4
144.06641	1.7
156.06677	0.9
158.08209	45.8
162.07759	5.1
168.06601	1.6
186.07693	26.7
202.07222	1.3
204.08771	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	203.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67775	0.8
53.52933	0.8
57.70107	1.0
59.01371	8.6
62.85830	0.9
68.94241	0.8
72.00896	18.6
74.02464	37.2
96.98183	0.9
103.13912	0.9
106.58307	0.9
115.03981	12.5
116.05044	100.0
130.06586	1.9
131.03511	2.1
142.06627	23.5
153.91808	1.1
159.09258	18.3
186.05623	2.2
203.01976	1.4
203.08275	64.9
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	D-Tryptophan
Peak:m/z	Relative Intensity
53.11063	0.8
53.18040	0.8
59.01382	16.8
72.00904	15.5
74.02464	41.6
74.08993	1.0
102.75066	1.1
115.03989	20.5
116.05049	100.0
129.05812	1.2
130.06625	1.6
131.03461	4.4
142.06609	31.6
157.07547	1.3
159.09277	20.4
186.05566	4.8
203.01959	7.7
203.08255	68.6
204.49918	1.1
216.71959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0924
Annotation	diethyl 2-hydroxypentanedioate
Peak:m/z	Relative Intensity
59.01372	14.4
68.28748	0.7
76.02792	0.7
90.81115	0.6
97.23845	0.6
98.62637	0.7
99.39860	0.7
111.08162	3.0
113.02432	1.6
113.09724	1.4
115.03991	20.5
123.08133	2.7
131.03477	6.6
139.07610	1.0
141.09207	45.1
157.08678	60.2
185.08173	6.0
201.07721	0.9
203.01973	7.4
203.09259	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	204.0664
Annotation	Indolelactic acid
Peak:m/z	Relative Intensity
51.27855	1.4
52.25525	1.3
56.55803	1.4
56.56285	1.5
63.11925	1.4
72.99301	17.2
116.04301	2.4
116.05039	29.2
128.05028	16.7
130.06610	19.1
142.06602	24.6
157.85289	1.8
157.99518	1.7
158.06091	96.5
172.72517	1.7
186.05568	34.3
188.42514	1.8
204.06630	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	203.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50212	1.0
57.03444	4.9
59.01379	100.0
69.03442	1.7
71.01370	1.6
71.05006	1.1
83.64991	1.0
85.02914	1.5
86.06118	1.0
86.64772	1.0
87.00866	11.0
87.04507	1.2
88.04030	1.2
95.05022	2.5
97.06580	7.4
99.04516	2.5
113.06073	4.1
115.03998	21.8
115.50024	1.1
123.04537	8.7
125.02391	1.3
129.01927	2.3
130.94257	1.4
131.03487	6.1
141.05569	35.0
143.02443	1.5
143.03435	12.1
159.06607	25.3
161.08182	1.8
185.04556	12.9
203.01985	4.1
203.05627	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	203.0826
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
54.10928	1.3
59.01368	8.0
64.21016	1.2
69.72684	1.2
72.00895	19.6
72.64944	1.3
74.02460	40.1
75.23546	1.4
77.64142	1.3
88.87337	1.4
94.24270	1.3
109.91895	1.3
110.88594	1.3
115.03997	16.1
116.05041	100.0
124.76790	1.4
130.06638	1.4
131.03485	3.5
132.08136	1.5
142.06606	30.1
159.09293	17.4
186.05608	3.3
203.01978	2.7
203.08263	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01376	63.0
66.78510	0.5
69.03439	1.5
71.01377	1.2
71.05001	3.9
71.91718	0.5
76.74863	0.7
78.57900	0.6
79.37611	0.7
87.04494	4.1
95.74236	0.6
97.02948	3.3
113.02467	4.4
115.03988	100.0
131.03479	30.9
140.95744	0.6
141.05484	1.5
159.06720	0.7
172.75543	0.6
185.00877	0.7
196.31430	0.6
203.01970	32.5
203.05487	1.0
203.09219	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0196
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
55.79193	0.5
56.68170	0.5
57.03447	0.8
59.01376	57.5
62.73645	0.7
64.17102	0.6
68.55365	0.5
69.03451	2.7
71.01398	0.7
71.05009	3.5
77.64926	0.5
85.02959	0.8
85.27584	0.7
87.04513	1.0
97.02934	2.7
113.02391	5.3
115.03989	100.0
127.19612	0.6
129.01976	0.9
131.03487	27.1
159.02988	1.5
203.01976	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	203.0197
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
52.24917	0.6
57.03431	1.0
59.01379	63.4
62.69762	0.7
69.03434	1.5
71.01372	1.1
71.05018	3.0
72.62676	0.8
80.81985	0.7
85.02959	0.8
87.04482	1.7
97.02933	3.1
102.54659	0.7
113.02438	5.4
115.03996	100.0
131.03485	27.2
159.03047	1.0
197.61952	0.7
203.01979	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0197
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
54.09154	0.7
57.03437	1.0
59.01379	60.0
69.03450	2.8
71.01358	0.7
71.05007	3.4
87.04498	2.5
92.68181	0.6
97.02941	1.6
113.02440	5.7
115.03992	100.0
122.14323	0.6
129.01918	1.4
131.03487	27.7
155.75615	0.6
159.03018	0.8
203.01976	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	203.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83485	0.5
51.05247	0.4
57.03447	4.4
57.48929	0.6
59.01377	91.2
60.15727	0.5
69.03440	4.2
71.01367	2.7
71.05016	2.7
72.99329	0.9
85.02936	4.1
87.00866	5.2
87.04499	3.3
97.02927	4.3
97.06570	1.4
98.92382	0.7
103.92014	1.2
106.94351	0.8
111.00863	4.6
113.02477	4.6
113.06125	0.8
115.03992	100.0
123.04496	1.1
129.01953	6.1
130.94353	1.5
131.03479	27.8
141.01884	2.5
141.05588	10.0
142.96643	0.8
143.03485	3.0
145.00873	1.3
148.95428	4.1
159.02994	0.8
159.06610	5.9
171.13667	0.6
185.04549	3.6
188.99823	3.6
202.98987	1.1
203.01979	32.1
203.05652	7.5
203.07471	1.0
212.75768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1086
Annotation	Acetyl-DL-carnitine
Peak:m/z	Relative Intensity
57.03444	1.1
57.44720	1.0
72.04541	1.7
72.43115	1.0
85.02934	10.2
92.19397	1.2
99.92590	1.4
101.02412	1.9
109.51108	1.3
114.09222	9.9
114.74857	1.2
116.07162	64.6
128.10797	51.6
129.01918	7.8
130.08675	1.5
140.10812	1.5
154.08702	15.7
156.10283	100.0
158.08147	12.7
165.04558	1.1
184.09766	13.4
187.06351	2.6
190.80460	1.2
195.03427	1.1
202.10849	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
64.30409	1.0
72.04543	1.3
85.02946	7.9
100.76227	1.2
101.02408	1.2
102.49827	0.9
114.09238	4.3
116.07159	33.8
117.79297	1.0
128.10794	51.1
129.01900	9.6
140.10776	1.7
154.08720	13.2
156.10277	100.0
158.08156	4.2
160.05269	1.8
174.88264	1.0
184.09767	13.1
187.06393	14.0
195.19652	0.9
199.41745	1.0
202.10851	73.1
221.47963	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	202.072
Annotation	7a-Epialexaflorine
Peak:m/z	Relative Intensity
50.21738	1.8
56.36715	2.0
57.03439	11.3
58.02971	32.1
67.24592	1.8
69.03441	3.2
70.02959	2.1
72.04538	17.8
75.53239	2.1
82.02985	2.8
83.01377	7.9
84.04543	16.9
85.02953	15.0
86.06106	24.8
90.17182	1.7
96.04488	2.2
98.02460	56.4
98.06100	37.8
100.04030	58.7
107.73884	1.9
108.04514	8.2
110.06100	14.8
112.04044	13.4
112.07649	14.1
114.05605	18.7
116.07152	63.9
128.07162	45.8
130.08751	17.7
138.05614	19.2
140.07162	61.9
142.05118	3.6
156.06650	55.6
158.08209	93.2
158.11809	2.2
202.07208	100.0
223.44418	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	202.0721
Annotation	N-(methoxyacetyl)-4-hydroxyproline
Peak:m/z	Relative Intensity
53.58539	1.2
57.60717	1.3
62.46441	1.2
66.02558	1.1
70.02959	2.9
71.01368	12.4
71.18581	1.4
76.87199	1.2
82.42545	1.3
86.06098	100.0
87.04495	33.8
88.04027	86.4
96.99297	8.1
98.02441	6.4
107.21497	1.5
108.15478	1.2
110.02516	1.4
112.04057	1.7
112.07660	2.1
114.01944	10.5
115.00346	29.5
125.41331	1.7
138.05586	1.5
140.07196	11.7
156.03090	1.7
156.06645	7.4
158.08208	55.2
184.06142	7.9
202.07207	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1497
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
58.82149	0.4
59.01382	14.4
68.29758	0.4
71.04974	0.5
100.45306	0.4
125.09660	1.0
145.86748	0.5
155.14413	4.7
157.03525	0.7
183.13940	2.3
199.13431	0.7
201.02536	1.9
201.14966	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	201.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
59.01370	7.6
69.03455	1.0
78.75227	0.9
97.06569	13.2
110.74120	0.9
115.55560	0.8
123.08124	5.9
125.09699	100.0
127.58304	0.9
169.08606	1.5
181.82684	0.9
201.11333	10.3
219.11790	0.9
224.90884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40273	0.8
53.89507	0.8
59.01381	2.6
63.88834	0.9
72.00909	2.3
74.02473	10.7
77.30714	0.9
82.02981	5.7
82.99612	4.8
84.04545	19.9
86.02459	3.9
96.53613	1.1
97.06595	1.1
107.05061	1.4
112.32854	1.0
114.09230	4.9
126.09273	1.4
127.07670	1.0
127.08772	6.1
128.03534	21.3
129.10329	7.0
139.07657	1.6
140.10794	1.6
153.10315	5.7
155.08334	1.7
155.11876	8.6
157.08748	3.2
157.13466	17.5
181.09813	1.8
183.11378	93.4
200.98694	2.0
201.07619	4.8
201.12468	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	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.68620	0.9
57.03455	2.0
59.01374	2.4
59.61710	0.8
69.11593	0.8
81.71105	0.9
91.06471	1.0
93.06773	0.9
94.00001	0.9
96.38304	0.9
111.08132	4.6
137.09703	1.8
139.11284	100.0
157.12398	1.1
183.10251	48.9
201.11325	81.7
210.04674	1.0
216.65207	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	201.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87775	0.4
59.01376	61.9
77.60265	0.5
84.94611	0.4
90.65841	0.4
92.19999	0.6
94.75308	0.4
111.08147	0.7
113.09706	24.9
131.15178	0.4
141.09193	19.0
157.08662	0.5
159.10243	100.0
201.11366	4.2
201.17590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
56.05724	0.9
57.03448	1.6
58.02975	2.9
70.93533	1.1
72.99296	18.2
79.93174	1.1
84.94982	1.2
91.53181	1.2
107.08624	2.0
109.10223	2.4
123.23557	1.4
125.09737	3.0
127.11314	4.5
131.06941	1.9
133.26515	1.2
139.11284	2.1
149.18631	1.5
155.10744	10.1
156.08165	1.3
157.08501	28.7
158.05678	1.5
165.09204	1.9
173.08060	1.7
183.10252	45.7
201.07513	8.9
201.11360	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	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.09052	0.5
59.01381	2.8
69.22433	0.5
72.99294	16.2
96.55456	0.6
107.08698	0.9
109.10225	3.0
125.09726	4.9
127.11252	3.3
137.09734	1.2
139.11270	3.8
155.10774	8.5
162.69884	0.6
165.09218	2.4
171.10150	0.7
183.10248	42.8
201.05423	2.0
201.11327	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	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
58.02973	5.7
59.01382	2.1
69.03426	0.9
72.99294	19.8
81.27397	0.9
83.04994	1.1
83.95034	0.9
84.04402	0.8
92.02787	0.8
94.93512	0.9
95.43367	0.9
107.08657	1.5
109.10212	3.5
121.10227	1.0
122.92592	0.9
125.09726	4.8
136.41411	0.9
137.09726	1.3
139.11296	4.4
144.36592	0.9
155.10754	13.8
157.08577	1.3
173.06058	1.1
183.10231	51.2
201.01959	1.1
201.11371	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	201.0768
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
53.74274	0.6
57.26491	0.6
57.41422	0.6
59.01369	1.4
65.70760	0.8
83.05049	0.7
85.02936	0.6
91.63883	0.7
111.08141	91.2
125.34981	0.7
131.05333	3.1
139.07631	7.1
155.07114	0.9
155.10760	1.7
157.08681	100.0
183.06660	2.9
201.07675	18.8
201.11293	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	201.077
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
57.22530	0.8
59.01371	4.3
64.82919	0.8
66.11790	0.8
79.56058	0.8
83.05028	1.4
85.06586	4.4
97.06570	3.7
100.66262	0.8
111.04500	1.9
111.08133	13.9
113.09705	9.2
118.82533	0.7
129.05562	17.6
129.09184	9.4
139.07611	11.5
157.08681	100.0
183.06592	4.2
201.07678	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03451	2.0
59.01376	7.4
64.88673	1.2
71.04996	9.4
72.99307	1.2
73.02947	2.3
73.87309	1.1
83.05013	14.4
84.11322	1.7
85.06557	1.8
87.00864	6.8
87.04507	3.3
99.00865	39.1
111.08138	32.3
113.09701	13.3
121.06573	6.9
125.02332	1.2
138.67317	1.5
139.07639	77.5
155.07129	5.7
157.08681	87.4
165.05560	8.2
183.06602	42.1
193.95839	1.6
201.07698	100.0
201.11253	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	200.0928
Annotation	L-dihydroanticapsin
Peak:m/z	Relative Intensity
53.29538	0.7
58.95148	0.7
59.01383	0.9
71.01369	3.9
71.05011	20.6
72.00922	3.1
82.03007	1.5
97.25098	0.9
98.02453	3.2
104.62876	0.8
108.08177	1.0
110.06891	0.8
116.07161	1.5
121.51846	0.8
126.09226	20.4
128.07164	100.0
138.06438	1.6
144.03032	6.6
156.07481	1.3
176.82472	0.9
182.05406	1.0
182.11829	1.6
200.09285	36.2
200.17358	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36187	3.2
55.66349	3.7
59.01377	100.0
64.15558	3.7
87.01522	3.4
114.68197	3.5
157.03545	5.9
201.02563	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	200.0716
Annotation	2'-Aminobiphenyl-2,3-diol
Peak:m/z	Relative Intensity
51.57920	0.8
58.54066	0.9
70.87293	0.9
72.41352	0.8
93.73294	0.9
97.81604	1.1
115.62046	0.9
116.05013	5.5
124.22417	1.1
128.05072	1.7
130.06595	12.3
156.08176	100.0
157.05331	9.5
158.06088	1.3
172.07635	6.1
197.61736	1.0
200.07179	22.6
200.17400	1.9
210.87955	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	199.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72481	0.6
50.73993	0.6
89.32521	0.7
90.17827	0.6
111.66980	0.8
113.02451	1.0
166.55128	0.7
169.12311	5.6
181.12326	22.4
197.11806	0.9
199.13397	100.0
199.17027	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
59.35426	1.0
63.69988	0.8
73.02943	1.3
85.49214	1.0
97.75795	0.9
105.51327	0.9
111.40170	1.2
113.02459	1.3
121.23789	0.9
135.08098	1.2
137.09692	12.7
155.10760	100.0
181.12323	7.6
199.09837	8.1
199.13399	70.1
199.17036	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37037	0.5
59.87693	0.5
60.22047	0.7
63.68495	0.5
66.66385	0.7
71.01368	12.3
84.04533	100.0
84.27168	0.6
85.02935	24.3
88.04027	14.5
92.22659	0.6
94.06618	0.9
96.04527	0.8
96.99291	1.3
103.91996	1.2
110.06090	1.0
112.04814	0.7
112.07667	15.7
112.31712	0.6
114.01949	1.6
115.00349	25.3
117.76235	0.7
120.60155	0.8
129.66685	0.7
132.02992	4.4
138.05598	15.3
143.71391	0.6
145.96683	0.9
156.06650	40.5
156.10248	0.8
182.04601	5.3
200.05617	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	199.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
105.86749	1.0
111.98833	1.0
113.02435	1.2
116.92908	1.4
121.24128	1.1
141.07915	0.9
153.12833	1.7
153.96500	0.9
169.12334	9.3
181.12334	20.1
195.43800	0.9
199.13402	100.0
199.17038	87.3
207.64122	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	199.1339
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
53.74042	0.5
59.01368	2.6
59.01658	0.6
63.30988	0.5
63.33667	0.5
70.41308	0.5
71.05014	1.1
79.80491	0.5
99.04469	0.5
99.29345	0.6
108.39632	0.6
113.02417	0.7
123.08125	3.6
127.11287	0.6
153.12740	0.8
155.10843	0.6
163.11221	0.9
169.12340	15.6
181.12320	19.4
199.13390	100.0
199.17023	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	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
53.11462	0.8
58.26435	0.6
58.65248	0.7
59.29165	0.7
63.17529	0.7
75.38646	0.8
80.97702	0.8
115.53599	0.8
126.62117	0.9
137.09673	5.8
155.10767	100.0
181.08665	1.0
199.09799	12.0
199.17036	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.51803	0.4
58.04089	0.4
59.01372	1.0
61.80713	0.4
76.07534	0.5
88.90030	0.5
137.09692	5.7
155.10764	100.0
157.08694	2.6
181.08740	0.6
199.09761	8.2
199.13422	1.0
199.17020	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	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.32011	0.3
52.59278	0.3
53.10753	0.3
53.25946	0.3
57.23290	0.3
59.66383	0.3
64.12100	0.4
66.12504	0.3
73.02934	3.0
82.03886	0.4
83.04958	0.4
87.46794	0.3
135.08122	0.5
137.09705	8.6
155.10774	100.0
181.12206	0.6
199.09789	8.3
199.13406	12.0
199.17046	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	198.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52182	2.0
62.21888	2.3
70.09554	2.5
77.76011	2.4
85.02938	85.5
128.10753	3.7
142.12349	10.5
154.12355	13.3
170.11847	4.5
198.11368	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	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
52.50196	1.6
59.01378	45.8
63.91659	1.6
64.37685	1.5
70.42468	2.0
83.05008	3.6
91.05506	3.1
93.07092	2.8
109.06571	41.2
110.05022	1.7
111.08131	25.4
112.79799	1.6
127.07645	9.6
137.06070	100.0
141.69783	1.8
155.07123	51.9
181.05074	33.7
199.06075	18.3
199.17041	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	199.0611
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
50.56932	2.0
65.03965	4.4
69.03453	2.7
70.74998	2.0
78.49318	2.4
78.95906	12.2
79.01871	2.8
81.03438	12.6
82.99584	2.6
83.05017	41.7
93.03443	100.0
96.96958	20.7
101.92419	2.4
109.02905	2.4
111.04499	37.0
123.33887	2.9
127.03983	3.0
137.00772	2.5
137.02434	48.9
139.00288	3.2
155.03519	9.5
155.07144	21.1
156.89449	4.3
199.04065	4.9
199.06105	88.3
199.07866	4.8
199.17047	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02654	2.1
53.08681	2.3
57.65191	2.5
58.42168	2.6
62.39587	3.0
85.02941	73.5
92.04939	2.8
97.70327	2.7
101.47668	2.4
142.12340	6.1
154.12355	16.0
168.10332	2.8
170.11806	9.7
183.02527	2.8
198.11345	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	198.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00705	3.3
63.47015	2.5
70.21967	2.8
83.33018	2.8
85.02934	79.5
87.73242	3.0
100.79505	2.8
101.00350	2.5
102.58612	3.0
128.10826	2.7
142.12337	5.0
154.12349	12.7
160.81302	3.6
170.11864	6.8
194.14354	3.3
198.11333	100.0
212.16331	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	198.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93818	1.8
63.39350	1.9
69.09610	2.1
69.72999	2.6
70.39136	2.1
80.34718	2.1
81.69223	2.3
85.02939	77.0
87.26588	2.2
95.43575	2.2
128.10806	3.4
130.35371	2.2
142.12383	3.9
150.04050	2.4
154.12354	13.3
170.11852	4.6
198.11351	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.23744	0.5
53.37214	0.6
54.28665	0.5
55.15907	0.6
58.59094	0.6
97.06567	13.8
99.08159	3.4
99.95544	0.7
122.03690	1.2
137.09718	2.6
153.12836	100.0
179.10770	23.3
197.11751	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
56.15165	0.8
59.50566	0.7
60.05994	0.8
77.24967	0.9
86.68718	0.9
123.02197	0.9
130.40878	0.9
153.09140	1.4
153.12817	4.8
169.12314	16.1
179.10771	1.8
197.11826	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.00584	0.6
97.06571	10.5
98.01263	0.7
98.35624	0.7
99.08142	2.8
100.10741	0.7
122.03680	1.4
125.36018	0.7
126.03141	0.9
153.12842	100.0
179.10748	20.5
182.02255	1.4
196.90460	0.8
197.11836	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.24373	1.6
55.53410	1.6
60.65187	1.6
64.57016	1.6
70.71714	1.6
109.37204	1.9
116.92793	2.8
153.09196	6.7
153.12775	2.5
165.37874	1.9
166.99904	3.0
182.02150	3.6
186.56674	1.8
197.11823	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
69.03466	0.9
70.26080	0.6
70.59320	0.6
92.20032	0.9
104.16653	0.6
141.09169	1.1
145.13155	0.8
147.39044	0.8
151.11217	0.7
153.09203	1.6
153.12848	4.6
169.12337	18.7
179.10756	2.9
179.14494	0.7
197.11829	100.0
213.83884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02782	0.3
59.44558	0.2
70.41042	0.3
79.95730	100.0
97.21533	0.3
97.34387	0.4
104.05420	0.6
132.04880	18.5
154.26608	0.3
196.01076	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	197.0455
Annotation	Syringic acid
Peak:m/z	Relative Intensity
63.65271	0.5
65.29121	0.6
70.90093	0.5
74.92504	0.7
90.87566	0.6
95.01373	3.7
96.55362	0.6
100.98399	0.6
106.00510	0.7
121.02938	19.2
123.00863	26.0
138.03227	16.1
153.05563	15.7
166.99846	40.9
171.46051	0.7
182.02206	100.0
197.04550	24.2
197.06386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0818
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
60.27468	2.1
66.81609	2.3
71.43211	2.3
83.17828	2.2
92.19408	3.7
95.04983	10.4
121.02912	5.3
123.00846	5.0
135.08151	15.3
138.03162	5.6
153.05580	5.0
153.08005	3.6
153.09198	100.0
166.99808	12.3
179.07100	3.5
182.02216	44.3
197.04579	13.1
197.08163	15.4
197.11845	2.6
208.43892	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	196.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78673	0.4
55.33244	0.4
64.71461	0.5
65.39943	0.5
79.95728	100.0
87.00857	0.8
92.19307	0.5
103.56627	0.4
132.04869	17.4
150.06389	1.0
178.05861	0.8
196.01070	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	196.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81361	0.3
52.38528	0.3
54.27222	0.2
72.71938	0.3
79.95728	100.0
83.43457	0.3
85.29541	0.3
104.05383	0.6
132.04875	17.7
137.19600	0.3
189.62947	0.3
196.01067	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	196.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21247	0.4
79.95728	13.6
86.22034	0.5
95.93441	100.0
104.05390	4.7
116.07155	2.6
132.04874	71.9
134.06078	0.7
149.01395	0.5
152.08084	0.5
156.96794	0.6
196.01094	13.3
213.98677	0.5
216.12785	0.5
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	beta-Isocyclolavandulyl acetate
Peak:m/z	Relative Intensity
51.81739	3.6
56.39075	4.3
57.80566	4.1
59.01382	6.3
84.50014	4.4
96.95979	8.9
112.14064	5.1
152.91728	20.0
176.89566	31.5
183.62228	4.8
194.90608	73.3
194.92451	8.9
195.10347	5.6
195.13930	100.0
214.94431	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	195.1391
Annotation	beta-Isocyclolavandulyl acetate
Peak:m/z	Relative Intensity
56.20679	5.7
59.01373	9.0
95.91753	7.5
96.95976	14.9
110.74622	6.8
135.71268	7.4
142.24222	8.7
148.72897	9.1
152.91745	40.5
176.89511	44.0
178.00027	8.0
194.90576	100.0
194.92740	11.8
195.13985	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88865	1.8
59.01398	2.1
60.94948	1.9
87.00861	78.8
88.25820	2.4
96.95972	3.4
107.05033	12.1
117.73587	2.2
118.16785	2.7
133.06528	10.1
135.04507	8.2
142.73521	2.2
149.06064	91.6
177.04404	2.2
177.05553	96.2
195.06630	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	195.1025
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
51.03580	0.5
75.00845	0.6
93.03466	0.9
112.27502	0.6
123.61401	0.6
133.10187	4.4
149.09711	6.7
151.11296	9.8
159.08212	0.7
167.10751	9.4
177.09175	8.2
182.51154	0.6
184.28702	0.6
185.53047	0.6
195.10258	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	195.1026
Annotation	Phenol A
Peak:m/z	Relative Intensity
75.00848	0.7
80.02687	0.9
81.03448	0.6
94.04213	0.7
95.05013	56.3
106.16875	0.7
116.33247	0.6
135.08159	31.9
149.09740	4.2
150.03227	0.9
151.04077	0.8
151.11276	100.0
165.01920	3.0
165.05518	0.9
177.09195	3.4
180.04321	2.7
195.02995	1.6
195.04926	1.0
195.10278	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70160	1.5
64.43508	1.7
66.51580	1.6
75.00822	2.5
87.00858	4.3
107.04971	6.8
109.02934	4.4
123.08167	12.6
133.06570	9.6
149.06068	4.5
151.07629	100.0
165.01935	1.7
177.05533	2.5
195.04999	1.8
195.06670	12.6
195.10345	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	195.0661
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
52.97505	1.5
59.01394	2.8
63.47168	1.8
76.90924	2.1
87.00865	78.0
90.15170	1.8
93.11050	1.9
96.03173	1.8
96.95973	7.8
107.05002	12.6
133.06586	8.0
135.04507	12.4
149.06058	97.2
150.03291	2.7
155.50685	2.1
165.05621	2.4
177.05556	100.0
195.06619	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32359	1.2
55.60081	1.1
57.03425	4.3
59.01374	16.0
60.30038	1.1
71.01369	8.3
72.99284	2.7
74.64823	1.2
75.00858	100.0
85.02937	6.2
85.74233	1.2
87.00859	15.5
89.02442	10.2
96.96024	1.8
96.96935	1.7
99.00852	27.9
101.02406	2.2
111.00850	1.5
112.45320	1.5
119.87347	1.3
129.01929	50.4
130.19305	1.2
130.63379	1.4
141.01901	1.8
159.02940	6.2
177.04024	9.9
195.05089	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	195.0508
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
54.92561	1.0
57.03435	4.5
59.01376	22.1
71.01376	11.5
72.90732	1.0
72.99281	1.9
75.00861	99.2
78.95882	5.7
82.77897	1.1
85.02931	13.3
87.00854	18.5
89.02435	10.3
92.19389	1.1
96.96958	16.4
99.00860	24.4
101.02421	2.7
111.00858	2.2
121.02898	2.2
129.01923	52.1
131.03372	1.1
132.58490	1.0
141.01938	2.2
151.04031	1.9
159.02953	9.5
167.03455	1.5
176.93619	1.2
177.04036	7.1
195.03267	4.6
195.05090	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	194.928
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75636	13.3
80.48621	15.5
96.95995	14.6
115.07212	13.3
150.92493	22.8
152.91737	100.0
178.97702	14.7
187.32288	16.8
194.92815	22.2
214.21001	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	193.087
Annotation	Zingerone
Peak:m/z	Relative Intensity
58.13268	0.2
59.01377	1.1
65.81664	0.2
67.22416	0.2
87.00854	0.4
96.46320	0.2
150.94803	0.3
156.25453	0.3
177.05589	1.0
177.90302	1.0
178.06413	1.0
192.92657	0.4
193.08699	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	193.0716
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
58.00592	17.5
59.01374	49.0
71.01382	12.3
71.05010	19.2
72.99284	2.3
73.02517	3.4
73.02934	100.0
79.94176	1.7
80.45935	1.5
81.03444	28.4
81.59214	1.7
85.02933	9.9
87.00866	60.7
91.03975	4.1
98.18945	1.7
99.00874	13.7
99.04527	9.7
101.02396	3.4
113.02425	7.0
118.80531	1.6
121.04059	9.0
125.02473	2.1
131.03470	6.9
143.03479	22.4
149.07159	2.8
150.94719	2.2
156.28787	1.6
175.06122	26.4
178.86304	1.8
180.18465	1.6
193.07220	45.5
213.74106	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	193.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57425	2.1
58.00591	16.2
59.01376	58.2
60.97938	2.2
71.01380	13.1
71.05012	12.6
72.99313	3.9
73.02937	100.0
80.81837	2.0
80.82687	2.0
81.03445	31.1
85.02951	12.5
87.00859	54.7
89.02448	3.0
91.04001	5.1
99.00885	17.2
99.04513	9.2
101.02424	8.5
106.50266	1.9
111.00860	2.7
113.02399	3.2
121.04086	3.6
125.02391	4.3
131.03410	4.0
136.13777	2.2
143.03461	29.7
175.06148	27.4
193.07188	53.2
196.38707	2.0
207.16422	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	193.0503
Annotation	Scytalone
Peak:m/z	Relative Intensity
64.57436	0.6
65.43686	0.5
80.91989	0.6
93.70125	0.6
97.80499	0.7
104.59810	0.6
107.37514	0.7
133.02933	8.9
134.03723	29.1
137.02409	4.5
137.72906	0.7
139.04022	0.8
151.03322	0.7
161.02423	20.9
161.27917	0.6
178.02649	4.2
193.05046	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	193.0505
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
54.80481	0.4
72.87838	0.4
93.03438	0.5
106.04222	0.5
107.07712	0.5
109.98434	0.5
111.00874	0.9
117.03471	0.7
121.02962	1.0
133.02940	2.8
134.03720	100.0
137.02425	6.7
139.04015	2.3
149.06055	16.6
150.03247	1.0
157.63699	0.5
178.02698	53.4
192.99638	7.1
193.03310	0.9
193.05057	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	192.0666
Annotation	BETAMIPRON
Peak:m/z	Relative Intensity
50.37068	0.5
56.59322	0.6
71.01350	0.7
75.15135	0.7
86.03259	1.2
87.00864	3.4
88.01188	1.6
111.00853	0.8
112.01202	8.5
120.04533	100.0
128.98338	0.7
130.33340	0.8
148.07675	10.9
166.08185	0.8
192.02298	0.8
192.05026	1.5
192.06659	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	192.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02636	0.8
53.01642	0.8
58.58246	1.0
59.13298	0.8
78.69987	0.9
85.02954	1.2
86.03263	3.8
87.00847	5.2
88.01211	5.8
111.00864	4.2
112.01201	19.3
112.56534	0.9
120.04530	100.0
143.62885	0.9
148.07661	8.6
151.45914	1.1
192.02316	2.4
192.06670	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	192.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21572	0.9
71.71329	0.9
85.02937	1.1
85.93385	0.9
86.03284	4.3
87.00836	3.9
88.01210	4.0
111.00834	2.1
111.20316	0.9
112.01189	13.4
120.04527	100.0
125.34462	1.1
148.07680	8.8
157.96518	1.1
176.18398	1.0
192.02327	1.8
192.06645	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	192.0428
Annotation	3-Methoxy-4-hydroxy-trans-cinnamate
Peak:m/z	Relative Intensity
54.92803	0.8
59.61107	0.7
61.49418	0.7
64.99939	0.7
72.17815	0.8
74.65910	0.8
85.02947	0.7
86.03282	1.0
87.00865	1.5
88.01159	1.5
93.03427	1.8
95.05003	4.6
107.01502	0.8
108.90514	0.9
111.00824	0.9
112.01196	10.2
121.02949	7.3
123.04541	9.2
125.67209	1.0
127.90347	0.8
149.02438	27.0
162.32964	0.8
163.03969	0.8
176.41064	0.9
177.01927	100.0
179.37268	0.8
189.50626	0.8
191.03477	1.4
192.02522	1.5
192.04265	8.2
195.91075	0.8
212.07404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29332	0.3
57.03443	3.5
57.20747	0.3
59.01366	0.3
59.73247	0.3
67.01883	2.2
68.49779	0.3
79.87421	0.4
80.43825	0.4
81.36623	0.3
85.02934	28.9
87.00857	42.1
87.54327	0.3
101.59693	0.4
103.32774	0.3
106.01939	0.4
111.00858	100.0
122.23817	0.4
129.01909	5.4
130.99878	0.7
141.66951	0.4
141.72250	0.4
154.99866	0.7
173.00893	1.4
191.01974	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	192.0429
Annotation	3-Methoxy-4-hydroxy-trans-cinnamate
Peak:m/z	Relative Intensity
63.79693	0.9
66.60537	0.9
67.91981	0.9
74.53342	1.0
79.03620	1.1
85.02944	2.1
86.03280	7.2
87.00871	5.4
88.01199	5.8
90.09869	1.0
105.03442	13.7
111.00863	5.8
112.01202	22.6
130.02240	1.1
133.02945	100.0
147.96205	9.3
149.02428	4.5
164.04807	7.8
177.01941	26.2
191.89325	1.1
192.02527	4.2
192.04295	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28142	0.3
51.99480	0.3
52.64005	0.3
57.03443	5.2
59.01381	0.4
61.03934	0.3
67.01888	2.2
77.77704	0.4
85.02936	27.5
87.00861	44.4
87.54824	0.4
101.06071	0.9
111.00863	100.0
115.04018	0.4
129.01921	5.8
130.99858	0.7
137.52367	0.3
154.99803	0.7
173.00912	2.0
191.01978	11.9
191.05663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40218	0.3
53.24328	0.3
56.66963	0.3
57.03448	3.9
59.01374	0.3
67.01892	1.5
69.44881	0.3
70.56911	0.3
73.74701	0.4
85.02935	29.8
87.00858	44.1
90.79552	0.4
101.02361	0.4
111.00860	100.0
129.01933	5.9
169.59816	0.4
173.00900	1.6
191.01974	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	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03448	5.5
59.01370	0.8
63.94316	0.7
66.08895	0.7
67.01886	1.3
72.99303	0.8
74.44427	0.6
77.18049	0.6
80.53689	0.8
80.89513	0.6
85.02940	30.6
87.00861	46.6
99.00848	1.8
111.00864	100.0
111.04501	1.3
119.55148	0.7
129.01944	5.4
148.94896	1.0
153.02179	0.7
171.73097	0.8
173.00941	2.6
173.04582	1.1
191.01993	13.0
191.03778	0.8
191.04103	0.8
191.05617	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	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33673	0.4
53.10920	0.3
53.18266	0.3
53.35303	0.4
57.03440	4.5
57.27475	0.3
59.01381	0.5
66.33710	0.3
67.01885	2.1
71.01389	0.5
73.02937	0.5
83.20650	0.4
85.02936	31.7
87.00858	49.4
88.68614	0.4
99.00890	0.5
101.02420	0.4
105.44132	0.4
111.00862	100.0
117.01916	0.8
127.62557	0.4
129.01932	7.1
130.99873	0.5
153.75861	0.4
154.99805	0.4
173.00912	1.8
176.52098	0.4
191.01985	13.0
191.05617	2.6
196.07742	0.4
212.82785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29744	0.3
54.20951	0.3
56.89714	0.3
57.03440	5.0
67.01881	2.1
67.52917	0.3
68.43485	0.3
75.44571	0.3
85.02937	28.8
87.00860	45.8
111.00862	100.0
129.01938	6.5
130.99828	0.7
154.99828	0.5
157.11259	0.3
173.00951	1.8
191.00246	0.5
191.01962	13.1
199.80562	0.3
205.96094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03446	4.9
59.01381	0.4
62.89155	0.3
67.01880	2.1
71.04594	0.3
80.29320	0.4
85.02937	26.6
87.00858	43.9
111.00862	100.0
113.73659	0.3
126.16676	0.4
129.01936	6.4
130.99837	0.5
154.99884	0.7
161.65532	0.4
161.76184	0.4
173.00920	2.2
191.01979	11.9
201.15417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	Citric acid
Peak:m/z	Relative Intensity
50.08968	0.3
56.25948	0.4
57.03442	3.6
67.01888	2.6
74.38213	0.4
85.02937	27.7
85.84950	0.4
87.00863	41.4
111.00865	100.0
129.01915	6.8
130.99828	0.7
147.03004	0.5
158.72252	0.4
173.00887	2.1
190.74728	0.4
191.01984	12.5
192.97009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0767
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
54.50081	0.3
54.55575	0.4
59.01377	2.6
61.69625	0.4
62.93204	0.4
64.52728	0.4
66.19222	0.4
67.53540	0.5
71.04996	0.7
72.53595	0.4
80.88052	0.4
85.40510	0.4
99.07479	0.8
99.08145	31.1
127.07634	33.1
129.05562	100.0
143.10741	0.8
145.08685	6.3
160.65919	0.5
171.06622	6.4
189.07680	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37678	0.9
55.98685	0.8
57.03452	1.6
58.02979	1.3
59.01371	2.0
62.88385	0.9
72.00893	1.5
72.04537	6.5
73.02944	1.7
83.01387	6.9
86.02438	1.3
86.06105	5.7
87.00864	7.0
88.04035	2.5
96.04535	6.6
96.59107	1.1
98.02465	81.3
98.06127	2.4
99.04497	2.0
100.04109	0.8
100.04815	7.7
102.05600	4.6
108.04566	2.3
112.04011	5.8
114.05594	81.3
116.04362	1.1
116.07162	15.1
124.04034	8.7
125.02449	2.0
126.02787	15.0
126.05590	12.8
127.07615	1.6
128.03545	4.7
142.05083	100.0
144.06650	52.6
144.10280	10.1
170.04584	1.4
188.05641	59.0
188.09271	15.4
199.23450	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	188.0352
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
63.93514	0.1
67.93613	0.1
68.44300	0.1
82.17896	0.1
102.03427	0.1
109.86499	0.1
112.01233	0.1
114.05482	0.2
114.75987	0.1
117.69105	0.1
118.02935	0.2
126.02855	0.1
142.08685	0.2
144.04539	100.0
181.63855	0.1
188.03558	3.3
188.07095	0.2
188.09283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0564
Annotation	AminoDHQ
Peak:m/z	Relative Intensity
50.71235	0.9
52.08760	1.0
57.03450	1.6
59.01366	1.3
63.32939	1.0
67.55483	1.1
72.04535	8.2
73.02941	4.5
83.01374	7.2
86.02475	2.0
86.06104	5.6
88.04043	11.1
94.70863	1.0
96.04490	7.7
98.02469	81.1
98.06104	2.2
99.04553	1.4
100.04838	6.5
102.05588	6.4
108.04544	2.7
112.04009	6.8
114.05595	84.1
116.07147	20.5
124.04027	7.0
124.33678	1.2
125.02435	1.4
126.02762	8.6
126.05590	17.9
128.03506	7.5
142.05087	100.0
144.06654	53.6
170.04576	1.8
188.02911	2.4
188.05640	63.0
188.09323	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	187.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.1
67.01877	1.9
71.05013	4.4
73.02936	1.6
73.04059	24.9
73.89751	1.0
81.03453	4.5
83.05016	1.7
84.34995	1.1
93.35442	1.1
97.06567	21.0
99.04508	51.1
99.08154	5.5
111.00880	11.2
113.80087	0.9
114.09167	1.1
115.04002	9.8
115.07643	5.0
125.02425	100.0
125.06067	22.5
130.08713	78.1
143.03496	11.4
143.07126	34.7
143.11887	43.2
169.05032	3.8
187.02530	14.9
187.06187	25.2
187.07809	1.7
187.09341	2.1
187.10905	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1339
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
59.01363	3.6
61.98824	6.2
65.92245	3.1
72.42893	3.7
88.21391	3.7
92.19375	6.6
102.63711	3.1
103.47213	2.9
125.02382	4.2
125.09727	7.8
127.87240	5.7
141.12849	100.0
142.89375	30.1
186.88416	4.0
187.09708	6.8
187.13376	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1339
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
55.47281	0.6
58.19266	0.5
59.01381	0.6
59.88867	0.5
72.16455	0.6
76.14362	0.6
78.90099	0.7
85.43252	0.7
92.27961	0.6
99.04504	3.3
125.02427	8.4
125.09705	3.1
131.06502	0.6
141.12860	6.0
142.89380	0.6
143.03462	0.7
169.12354	3.1
185.11826	0.9
187.02521	1.2
187.09814	3.2
187.13388	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	187.0974
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.03733	0.7
50.33025	0.7
54.11942	0.7
57.03441	1.6
62.06874	0.7
69.31740	0.7
72.86490	0.7
74.11834	0.8
74.52227	0.7
89.71574	0.7
91.08018	0.9
92.19996	1.0
97.06569	10.1
100.15691	0.8
117.32036	0.8
123.08093	3.4
125.09703	100.0
143.10718	1.6
169.08604	2.7
187.09750	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04695	0.5
51.31126	0.6
51.58163	0.5
52.14075	0.7
56.95339	0.6
64.24726	0.7
71.04997	1.5
73.04070	1.0
81.03445	5.5
95.05006	1.0
97.06571	21.8
97.38151	0.7
99.04502	47.4
99.08143	6.7
107.48192	0.7
111.00867	0.8
112.64258	0.7
115.03963	9.3
115.07614	5.2
125.02421	100.0
125.06064	17.4
125.21449	0.8
128.80945	0.7
130.08716	3.8
143.03476	13.6
143.07133	35.0
143.11896	3.1
145.70303	0.8
162.59825	0.7
169.05072	1.6
187.02486	14.0
187.06104	27.1
187.10901	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.061
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
51.39901	0.6
57.03438	1.0
59.01086	0.9
59.01380	23.6
60.67351	0.7
69.03443	1.5
71.01358	3.3
71.05010	11.0
73.02908	0.9
73.36682	0.8
75.07791	0.7
81.03445	5.9
83.01363	0.9
83.05011	8.8
85.02908	1.3
87.04490	1.2
93.03441	4.9
95.05013	1.4
97.02916	4.6
97.06568	26.5
99.00882	0.9
99.04505	43.2
99.08150	6.8
105.66155	0.7
110.03674	1.0
111.00848	4.8
111.08069	1.0
115.00385	1.0
115.03995	38.2
115.07587	4.1
116.03517	5.2
123.08144	1.7
125.02427	100.0
125.06065	41.2
127.04002	2.0
133.41272	0.8
137.02417	4.2
141.09216	8.4
143.03522	11.2
143.07127	53.8
144.03001	4.6
151.03967	4.9
161.02359	1.3
169.05057	14.5
187.02458	14.2
187.06096	41.6
187.09596	11.6
187.11128	0.9
187.44739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62897	0.6
53.44288	0.6
59.01360	1.3
59.30943	0.7
69.03434	1.3
70.20863	0.8
71.05019	1.8
73.88121	0.7
81.03443	4.1
95.05012	4.2
97.06569	34.8
97.78445	0.7
98.21066	0.7
99.04502	46.6
99.08141	8.5
100.32447	0.8
107.66832	0.9
109.35945	0.7
111.00909	1.4
111.04503	1.0
115.03986	10.1
115.07631	8.9
123.08139	1.9
125.02421	100.0
125.06059	35.6
141.09172	5.3
143.03490	13.0
143.07118	55.3
169.05063	3.5
171.03015	0.9
187.02477	11.0
187.06113	39.3
187.09654	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	187.0611
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
66.92127	0.9
69.03463	2.0
69.05927	1.0
70.36546	0.9
71.05027	1.0
74.45530	0.9
81.03446	5.8
91.96494	0.9
95.01600	1.0
95.05006	4.2
97.06576	42.5
99.04500	44.8
99.08134	10.8
112.04872	1.0
115.04008	7.7
115.07613	12.7
125.02425	100.0
125.06059	40.7
143.03482	10.4
143.07123	68.5
143.07961	1.2
143.08287	1.1
169.05005	1.0
187.02469	13.2
187.06090	48.5
190.40804	1.1
194.92117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39060	0.8
57.66438	0.8
68.87774	0.9
69.03429	0.9
71.05032	1.2
75.58968	0.9
81.03448	5.9
90.84778	1.0
95.05025	4.4
97.06572	33.6
99.04504	46.8
99.08144	10.5
104.25806	1.0
115.03992	9.8
115.07652	10.0
115.52016	0.9
125.02425	100.0
125.06065	38.3
143.03511	12.1
143.07120	61.7
150.58009	1.1
169.05051	4.3
187.02477	11.5
187.06123	42.5
187.09724	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	187.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61563	0.3
55.50986	0.4
59.01373	44.7
65.69557	0.4
92.20059	0.5
92.74848	0.4
99.21602	0.4
115.02487	2.6
117.00426	5.0
119.83607	0.4
143.01987	6.0
159.01471	100.0
160.88719	0.4
182.87979	0.4
187.00969	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	187.0248
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
52.82077	0.4
65.08511	0.4
68.83112	0.4
80.06675	0.4
81.03444	4.8
86.89230	0.5
87.07584	0.4
93.03448	0.7
99.04510	44.5
99.11394	0.5
115.03996	9.1
125.02431	100.0
137.02458	0.6
143.03499	12.2
158.75320	0.5
180.72931	0.5
187.02477	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	187.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
65.61983	0.4
65.76649	0.4
67.01882	0.6
67.78130	0.3
69.03431	0.5
71.05009	0.6
71.36272	0.3
75.18233	0.4
81.03434	5.1
85.02945	0.6
87.00874	0.6
87.04510	0.7
92.19340	0.7
93.03442	5.2
99.04504	42.3
109.74409	0.4
110.03695	1.9
111.04459	0.4
113.02397	0.5
115.03990	8.8
115.09568	0.7
118.91876	0.4
125.02423	100.0
137.02425	4.5
142.14517	0.4
143.03503	11.1
143.07082	0.4
187.02472	12.4
187.06105	3.3
187.07715	0.6
187.11015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.056
Annotation	3-amino-2-naphthoic acid
Peak:m/z	Relative Intensity
52.90820	0.2
56.49921	0.2
68.23077	0.2
69.40167	0.2
85.21027	0.2
116.05026	1.0
130.06610	0.2
142.06606	100.0
186.05527	3.5
186.06999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0559
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
59.36349	0.8
73.58022	0.7
79.04401	0.8
80.27164	0.7
100.04041	1.2
116.05048	100.0
118.88882	0.8
128.14011	0.9
136.41675	1.0
169.05255	0.8
175.32663	0.7
186.05600	66.2
186.12088	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	185.1182
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
51.48743	0.8
52.30908	0.9
59.01387	1.0
73.20871	0.8
83.35273	0.9
86.58332	0.8
90.98701	0.9
101.63184	0.8
102.18815	0.8
125.09828	1.1
139.11285	19.3
141.09178	1.3
154.63551	0.9
155.10757	4.8
167.10764	13.7
169.97737	11.3
185.00107	3.4
185.11818	100.0
185.15329	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	185.1182
Annotation	2-Oxodecanoic acid
Peak:m/z	Relative Intensity
54.05988	0.9
58.40720	0.8
61.26564	1.0
63.80525	1.0
64.07241	0.9
71.05006	5.8
72.98904	1.9
72.99298	40.4
72.99708	1.6
76.00920	1.1
80.13313	1.0
86.93590	0.9
87.31829	0.9
94.31294	1.2
96.70514	1.0
98.95967	1.0
99.08157	1.7
115.56498	1.0
123.11861	1.9
134.66049	0.9
139.11287	44.4
140.89664	7.2
141.09222	2.4
141.12862	12.5
167.10754	100.0
185.11819	76.5
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
52.97588	0.7
57.03452	1.2
63.26539	0.7
69.03469	0.8
73.14124	0.8
78.17696	0.8
92.19415	1.1
102.66370	0.7
111.84397	0.9
125.09689	1.9
139.11276	0.9
141.01155	1.5
141.09212	5.7
141.12857	3.9
167.10762	1.2
185.08270	3.2
185.11818	100.0
189.10612	0.9
199.97363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09105	0.9
56.87146	0.9
59.01374	2.0
59.24859	0.9
71.01361	0.9
78.95860	1.6
84.35607	0.8
90.68143	0.9
109.39591	1.2
111.08089	0.8
113.09715	3.8
115.92070	1.0
139.11281	6.1
141.09166	1.9
155.10779	2.1
167.10768	3.8
183.10207	1.1
185.11819	100.0
187.22862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31013	2.3
55.32096	2.7
69.12687	2.6
82.17734	2.7
85.02940	100.0
88.04031	4.5
91.69146	2.6
94.78745	2.6
99.64651	2.7
112.07677	18.2
128.10780	6.0
140.10805	12.6
156.10260	14.5
184.08104	3.7
184.09744	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51229	2.8
63.15917	2.5
70.93162	2.4
83.81264	2.7
85.02934	65.5
88.03999	27.5
109.49708	2.8
112.07660	68.2
114.09172	2.9
125.86523	2.9
128.10786	5.6
140.10751	11.6
155.58992	2.7
156.10240	4.6
184.09756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0818
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
55.75209	0.4
59.01375	0.8
62.33202	0.4
63.39799	0.5
69.79181	0.6
73.59744	0.5
109.50925	0.6
123.08125	6.3
141.09206	100.0
141.30998	0.5
185.08217	4.0
185.11870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1025
Annotation	(3R)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
51.05484	3.4
57.03184	5.3
57.03445	100.0
59.01379	2.6
59.50079	2.6
62.28480	2.8
69.03448	7.7
69.85734	2.7
71.05007	3.4
95.04986	3.9
101.32218	3.3
119.10916	3.3
139.11270	40.4
155.10696	4.1
165.09152	5.6
183.00481	4.8
183.10266	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.95780	1.6
67.01886	4.6
68.71446	1.9
73.41417	1.9
76.57174	1.9
79.51393	1.9
83.01367	4.6
85.06577	1.6
95.01363	11.1
101.02445	2.3
111.00890	15.4
123.46741	1.9
144.47597	2.2
157.95212	1.9
183.13890	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	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
54.19441	2.6
55.41602	2.4
57.45848	2.4
58.96436	2.5
75.01703	3.0
88.71515	3.0
91.47516	2.8
139.11284	6.7
175.50121	3.5
183.10333	5.2
183.13887	100.0
185.42238	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	183.1024
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
57.80737	2.3
59.01380	81.7
63.57280	2.0
67.05522	4.1
71.01371	13.3
92.20042	4.2
93.07066	16.5
107.08696	2.6
109.06568	2.6
119.08620	2.6
121.10210	44.6
137.09758	3.6
139.07651	3.3
139.11263	27.7
153.09200	28.3
155.10757	5.6
165.09184	47.8
183.10249	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	183.1024
Annotation	trans-1,2,trans-1,5-2-(1-Formylethyl)-5-methyl-cyclopentanecarboxylic acidNepetalic acid
Peak:m/z	Relative Intensity
57.14450	0.9
64.69597	1.0
69.03465	1.5
83.05009	4.3
83.07285	1.0
85.06574	6.9
97.06581	8.2
123.08154	2.2
139.11279	100.0
183.10278	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	183.1025
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
50.65456	2.8
57.03431	4.2
79.69267	3.8
82.42805	3.3
82.83265	3.5
87.28522	3.6
90.57941	3.6
107.08648	19.9
109.10242	7.4
116.68687	3.8
121.10204	4.8
130.08522	4.1
139.11288	20.9
146.74583	3.8
180.43745	3.9
183.10263	100.0
183.72263	4.0
194.22119	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	183.1024
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
52.76799	3.2
57.03452	4.2
76.10152	4.0
82.06032	3.9
95.31644	4.2
97.31670	4.4
107.08646	8.2
109.10178	15.7
139.11246	23.7
154.03064	4.2
167.99361	7.6
175.37486	4.4
183.10287	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	181.1234
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
51.45236	3.9
53.74903	4.2
57.61003	4.5
59.01378	23.1
71.01360	8.1
71.58505	4.4
73.11923	3.7
89.02409	15.8
93.03456	6.8
95.08370	3.8
101.02429	22.1
113.89079	4.4
118.11343	3.8
120.57208	5.1
150.90094	4.6
151.00363	39.2
163.11299	4.2
166.02708	66.7
180.83954	23.0
181.05037	9.8
181.07205	18.2
181.10847	5.8
181.12358	100.0
204.09679	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	182.0458
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
57.06758	0.3
59.19252	0.2
81.74854	0.3
81.85282	0.2
92.05059	2.0
94.02977	0.3
98.70788	0.2
99.52109	0.2
103.91171	0.3
108.04539	33.2
110.06101	0.3
120.04512	3.1
123.00869	0.5
123.03223	1.2
136.04012	0.9
137.65523	0.3
138.05595	100.0
145.07281	0.2
153.34689	0.3
182.04584	24.3
204.71494	0.3
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
50.45688	1.6
54.82288	1.7
59.01374	15.6
62.60911	1.5
71.01376	7.7
78.22599	1.7
83.05139	1.4
89.02438	7.9
92.19315	2.3
92.97695	1.7
101.02422	8.7
141.19569	1.7
151.00327	16.7
163.11287	7.1
166.02699	32.7
180.83937	6.9
181.05103	6.8
181.07172	7.2
181.12338	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	181.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52090	1.9
53.54520	1.7
57.03436	2.8
59.01378	78.3
62.81456	1.8
71.01371	80.1
73.02934	18.9
81.86973	1.9
83.01365	13.4
85.02924	18.8
89.02431	97.5
92.19950	2.4
95.02148	1.8
97.02925	3.8
99.22453	2.0
101.02426	100.0
113.02435	12.2
119.03481	17.9
131.03534	7.8
149.04521	2.7
159.07077	1.8
163.06100	28.2
181.07167	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0505
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
59.01351	0.2
60.30666	0.2
61.03666	0.2
67.01880	0.3
79.90924	0.2
80.57792	0.2
92.20056	0.2
93.03481	0.4
95.01362	0.4
109.00504	0.2
109.60463	0.2
123.00839	3.8
137.02429	0.3
151.00348	54.4
162.77374	0.2
165.01891	1.7
166.02692	100.0
181.05054	13.3
181.07486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0716
Annotation	L-Iditol
Peak:m/z	Relative Intensity
55.01865	4.3
57.03429	1.2
58.00595	0.8
59.01378	74.3
66.84770	0.8
69.03456	1.1
71.01373	80.8
72.99300	1.0
73.02934	19.9
79.14194	0.9
83.01390	7.8
85.02934	19.6
87.23875	0.8
89.02431	100.0
91.03986	1.1
97.02950	6.0
101.02428	99.6
103.04015	1.4
113.02422	9.6
115.03968	4.1
119.03481	16.2
131.03424	7.8
143.03430	1.2
149.04539	4.9
161.04581	1.1
163.06114	25.7
171.70706	0.9
181.07172	86.8
201.13043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0665
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
57.97603	0.8
58.01018	1.1
66.77726	0.8
68.37713	0.9
69.51378	1.0
69.65388	0.9
72.00896	28.4
74.02455	4.3
75.75068	0.8
76.12347	0.9
78.47911	1.0
79.66219	1.1
89.59255	0.9
93.03434	21.0
106.04231	4.3
107.04993	1.8
113.23215	1.0
119.05005	68.0
130.35741	1.1
134.06123	3.4
136.07600	1.3
162.05588	1.5
163.03998	95.4
180.06650	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	180.0665
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
50.75500	0.2
59.01375	0.2
65.13924	0.2
72.63837	0.2
74.06579	0.2
86.33111	0.2
98.78892	0.2
107.42466	0.2
120.04498	0.8
121.05297	3.1
124.51119	0.2
134.06085	1.2
135.03242	1.5
136.07661	100.0
180.06657	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	180.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49058	0.4
63.96236	2.1
67.56738	0.4
70.06268	0.4
70.06610	2.2
75.39798	0.4
79.95733	100.0
88.02240	0.9
94.02966	0.4
116.07166	44.5
132.04895	0.6
136.03978	0.6
180.03366	57.1
182.15184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13410	0.5
60.31849	0.5
63.96236	79.1
65.11115	0.5
66.84199	0.5
70.06613	2.3
79.95728	100.0
86.46901	0.5
88.01753	1.0
88.02251	20.1
89.34924	0.5
92.19372	0.6
116.07154	42.7
132.04877	20.9
141.14908	0.6
145.24213	0.5
155.14388	0.5
180.03348	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10905	0.5
63.39814	0.7
63.96234	54.6
66.65901	0.5
70.06613	1.3
76.88802	0.6
79.95727	100.0
88.02248	17.2
89.76379	0.6
112.16222	0.6
116.07156	44.4
126.61106	0.8
132.04883	15.6
178.00079	0.7
180.03342	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0335
Annotation	Acamprosate
Peak:m/z	Relative Intensity
63.96234	2.7
70.06600	2.3
79.95728	100.0
85.54124	0.4
92.05282	0.5
116.07156	44.9
132.04863	0.8
180.03352	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90677	0.3
62.67828	0.3
63.96237	100.0
79.95742	0.6
88.02251	34.8
91.56390	0.3
104.05383	0.6
115.78594	0.3
116.07208	0.4
132.04877	29.9
183.00797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96235	7.2
70.06599	2.2
71.79591	0.4
79.95728	100.0
81.44423	0.3
88.02261	2.6
88.76540	0.3
95.83965	0.3
116.01136	0.3
116.07156	43.7
132.04866	1.9
136.03993	0.6
180.03349	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85878	0.4
55.38417	0.5
60.69368	0.5
63.96238	100.0
67.25545	0.4
69.08996	0.6
70.06605	2.0
79.95733	74.4
88.02252	29.9
91.08654	0.5
92.69283	0.5
104.05374	1.1
116.07163	32.5
119.04992	0.5
132.04877	29.7
144.83643	0.5
180.03365	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1076
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
59.01089	3.6
59.01377	100.0
59.46957	2.6
70.45181	3.2
78.66591	2.9
87.00904	3.0
107.08657	26.0
127.46151	3.0
135.11792	11.3
155.48239	3.8
161.09737	4.9
177.09164	3.4
179.10745	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	180.0158
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96233	100.0
65.29354	0.4
66.09229	0.4
70.06610	0.5
79.95726	40.4
84.23542	0.5
88.02248	31.4
96.23627	0.4
104.05397	0.7
108.68831	0.5
116.07152	16.9
118.95313	0.4
132.04874	27.2
180.03329	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	180.0158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20749	0.3
51.78419	0.2
63.08065	0.3
63.96236	100.0
64.94685	0.3
67.89476	0.3
70.06631	0.3
77.86144	0.3
79.95728	19.3
88.02248	30.4
104.05409	1.2
110.36932	0.3
112.04719	0.3
116.07159	8.4
132.04875	29.5
137.29456	0.3
164.69031	0.3
180.03348	11.8
188.62088	0.3
194.12364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0713
Annotation	2-PROPYL-3-HYDROXYETHYLENEPYRAN-4-ONE
Peak:m/z	Relative Intensity
58.99466	1.2
59.01376	19.1
62.48259	1.1
71.01360	1.1
87.00873	5.2
89.02409	1.7
92.02660	13.3
93.03439	23.2
95.01389	1.8
96.95985	5.1
96.96909	1.2
98.19395	1.2
108.02170	2.6
117.88597	1.1
118.99283	4.7
119.08234	1.1
136.00716	1.7
136.01668	35.2
136.94009	1.9
137.01440	1.6
137.02435	28.6
142.93716	1.6
161.04553	3.0
178.81459	2.0
178.84198	12.3
179.01459	2.4
179.03525	4.6
179.05643	7.0
179.07115	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	179.0559
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
53.78948	0.8
56.98027	5.1
59.01373	18.2
62.80558	0.8
67.53037	1.1
69.03452	2.1
71.01376	14.4
73.02926	10.5
74.99124	1.3
75.00896	0.9
79.78141	0.9
81.63834	1.0
83.01379	6.3
85.02934	18.3
87.00861	100.0
89.02438	7.1
93.03401	1.2
95.01423	1.7
96.02084	1.0
97.02920	11.3
99.00861	23.4
101.02422	15.8
105.45759	1.0
107.04994	4.1
107.06140	85.7
109.02929	0.9
113.02432	4.8
117.01917	21.4
123.95609	1.0
125.02447	19.0
129.01962	4.3
134.03709	4.6
135.04527	73.9
135.05647	37.7
137.75787	1.0
141.01915	14.3
159.03000	6.5
161.04538	74.5
164.04811	4.2
177.04025	2.0
177.55795	1.4
179.03302	10.8
179.05635	90.9
192.22369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0559
Annotation	Sorbose, L-
Peak:m/z	Relative Intensity
53.45718	0.8
58.00597	1.0
59.01378	100.0
60.00154	0.8
60.11446	0.8
63.46161	0.8
63.80278	0.8
71.00974	2.0
71.01369	44.9
72.99287	1.2
73.02931	4.8
75.00862	13.4
76.55037	0.9
80.12106	0.8
81.03454	0.9
83.01394	1.4
85.02946	10.9
87.00864	12.1
89.02428	40.8
95.01363	1.9
99.00856	4.0
100.62989	1.1
101.02435	11.8
103.13765	1.0
113.02422	8.5
117.01872	1.4
119.03458	3.9
125.02390	1.2
130.00703	0.9
158.22185	1.0
161.04533	8.8
179.05602	18.7
196.03497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
54.08956	1.0
55.69176	1.1
56.80669	1.2
59.01380	42.1
66.89489	1.1
70.56290	1.1
71.01369	25.6
71.05017	2.2
72.99312	5.4
73.02934	9.3
75.00863	100.0
81.03442	5.2
81.22385	1.2
85.02950	7.8
87.00859	13.1
89.02436	19.5
97.02937	1.7
99.00881	13.1
101.02425	5.5
102.50751	1.5
113.02422	2.2
117.01948	1.6
125.02436	5.9
135.04517	3.1
136.93990	2.3
143.03506	15.9
159.02869	1.3
161.04552	20.1
178.95073	5.9
179.05611	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	CHEBI:69195
Peak:m/z	Relative Intensity
59.01381	3.1
71.01373	2.6
73.02959	0.6
80.05931	0.5
83.94456	0.5
85.02947	0.6
87.00861	5.1
99.00871	1.0
101.02416	0.9
106.94298	0.5
108.02144	5.7
109.02936	100.0
111.00900	0.8
117.01907	1.9
123.00893	2.7
124.01642	2.4
125.02425	0.6
135.04544	1.1
136.01669	2.6
137.02478	0.5
146.03754	1.0
161.04570	4.8
161.05798	0.6
164.04733	1.0
173.68509	0.5
178.84189	0.8
179.03491	71.2
179.05566	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	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
60.36306	0.2
76.76591	0.3
105.04581	0.3
107.05018	0.3
118.49444	0.3
134.03729	2.5
135.04512	100.0
173.03195	0.3
179.03491	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	179.0349
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
51.16688	2.2
55.15320	2.3
59.01371	11.9
61.86673	2.4
63.50800	2.1
65.66942	2.4
71.01377	5.2
73.02920	3.6
75.00864	3.1
80.46013	2.3
81.03432	2.9
85.02955	9.2
87.00863	46.1
89.02423	3.2
93.03430	10.1
95.01406	3.2
97.02956	2.6
99.00883	12.4
99.60208	2.6
101.02434	5.1
106.04232	13.6
107.05022	100.0
108.02195	3.4
113.02435	2.7
117.01929	13.5
121.02889	17.2
125.02407	4.7
129.82487	2.7
135.04521	17.4
151.04033	5.3
161.04555	36.7
179.03542	22.9
179.05589	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.092
Annotation	3,5-Dimethoxyallylbenzene
Peak:m/z	Relative Intensity
58.48506	0.8
67.21412	0.8
94.11980	0.9
127.32822	0.8
154.50854	1.0
177.09190	100.0
190.23022	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	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53342	0.7
59.01390	0.7
64.61662	0.7
68.51285	0.6
71.01357	1.0
72.47340	0.8
76.04913	0.7
78.95485	1.0
78.95893	7.3
87.00851	0.8
92.19484	0.8
96.08192	0.8
96.95954	1.4
111.54091	0.7
119.93733	1.6
121.06351	0.8
131.40453	0.7
134.96074	42.3
136.93994	100.0
151.92690	7.4
178.95032	79.4
179.05554	0.9
196.95976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0556
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
75.56345	0.4
78.82892	0.4
89.82346	0.5
96.39066	0.5
117.03445	16.5
117.04223	0.9
118.04234	21.6
118.75641	0.5
121.02931	10.9
123.04527	3.2
133.02925	2.3
133.06548	0.8
133.98291	0.4
134.03699	0.5
136.62480	0.5
145.02937	41.8
151.07576	3.6
162.03214	11.2
176.84308	1.1
177.05553	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	177.0555
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
50.40054	0.3
54.11076	0.3
55.21123	0.3
55.36745	0.4
58.34843	0.3
60.23032	0.3
64.61456	0.4
104.16145	0.4
111.78140	0.4
121.02951	0.4
122.38535	0.5
123.04568	0.5
133.02948	0.7
133.06610	1.6
134.03752	2.0
149.02475	0.5
161.02434	0.7
162.03220	100.0
177.01913	0.9
177.05571	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	177.0191
Annotation	Esculetin
Peak:m/z	Relative Intensity
54.64398	0.4
64.85210	0.3
67.08000	0.3
81.03439	0.5
89.03964	2.9
95.56029	0.3
103.43654	0.4
105.03458	7.7
111.42379	0.4
133.02939	21.5
135.18631	0.3
135.73039	0.3
136.93643	0.3
149.02431	2.4
160.26761	0.3
177.01924	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	177.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99978	2.6
74.57434	2.6
107.05000	6.6
112.14978	2.4
131.05067	5.4
133.02959	3.6
133.05571	3.8
133.06570	86.0
134.03683	10.4
135.04475	4.0
149.06058	12.7
150.77351	2.9
154.31660	2.5
162.03140	3.1
171.47272	2.4
172.13179	3.4
177.05556	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	177.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95183	2.2
63.19066	2.1
74.86640	2.1
86.35877	2.5
107.04996	12.3
131.04990	5.8
133.02928	5.1
133.05688	3.7
133.06595	65.0
134.03696	12.2
135.04530	3.8
149.06082	4.3
154.11037	2.3
177.05563	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	176.0352
Annotation	Isalexin
Peak:m/z	Relative Intensity
54.35734	0.2
55.21984	0.2
57.64903	0.2
58.56747	0.3
63.19216	0.3
77.82224	0.3
84.70622	0.2
93.63918	0.3
94.33225	0.3
98.97546	0.2
113.72594	0.3
114.06393	0.4
120.04539	0.4
121.88118	0.3
147.03290	0.5
148.04048	1.8
158.02544	0.9
159.03220	1.1
175.02707	2.0
176.03519	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	175.061
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.52959	0.4
59.01379	1.9
62.67311	0.5
71.04990	0.6
72.99306	2.6
79.58184	0.5
85.06577	37.8
87.04491	0.9
100.77863	0.5
113.06071	40.2
115.03993	100.0
123.92879	0.5
129.05560	1.0
131.07121	10.7
143.19231	0.5
157.05025	11.5
175.06104	61.4
176.97638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0974
Annotation	Metaldehyde
Peak:m/z	Relative Intensity
54.27570	0.6
72.99296	55.4
75.00861	67.2
99.08157	1.1
129.09207	13.3
148.04004	1.1
175.09740	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	175.0511
Annotation	Pemoline
Peak:m/z	Relative Intensity
55.38062	4.6
56.96357	4.0
57.03451	7.7
57.16110	4.1
93.48981	4.7
95.14180	4.8
96.17330	5.2
120.04530	32.2
122.09552	4.5
133.98035	5.3
148.04050	100.0
175.05150	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
53.46628	0.7
57.03445	8.9
59.01381	3.9
63.28979	0.7
67.43789	0.7
67.57294	0.8
69.03442	1.0
72.99297	100.0
73.02931	3.6
75.00870	5.8
78.95880	1.3
83.01380	1.5
83.09669	0.9
85.06576	30.9
85.65515	0.7
87.00884	1.2
87.04513	0.9
97.24656	0.8
101.02428	3.7
101.06070	12.0
113.06070	76.3
115.03963	6.5
129.05569	1.4
131.07129	10.6
133.05043	2.1
147.04561	1.1
153.81361	0.9
157.05058	32.7
174.88942	2.9
175.03947	4.3
175.06113	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1182
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
50.08815	2.2
57.03432	11.6
57.45644	2.3
57.51225	2.3
59.01369	3.8
61.98833	3.5
63.72777	2.2
68.34102	2.3
73.02935	16.3
75.00857	13.3
83.05022	3.8
85.02931	14.2
93.03448	28.8
99.04487	4.6
99.82301	2.9
100.92557	2.9
111.00858	35.5
111.04503	13.5
111.08157	5.1
115.07631	15.9
127.11274	100.0
131.08211	3.9
137.02432	6.5
137.09711	12.4
151.93272	2.6
154.94742	17.8
155.03477	3.2
155.10802	28.5
171.10228	5.6
172.83073	3.2
173.04547	4.9
173.11847	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0513
Annotation	90417-38-2
Peak:m/z	Relative Intensity
57.03431	29.1
59.01372	10.2
71.01398	8.6
83.01363	7.8
99.05310	6.1
101.02446	7.4
102.25185	6.1
119.60499	5.3
120.04559	51.5
126.13196	6.3
133.15721	5.2
147.05606	7.4
148.04057	74.3
175.03891	12.8
175.05103	100.0
175.06200	7.1
175.09738	8.0
193.36044	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	173.1181
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
50.11129	1.6
55.84336	1.5
57.03447	2.7
71.01357	2.0
73.02940	15.9
81.91946	1.7
83.05003	4.7
85.02918	2.5
92.20017	2.4
93.03447	27.2
96.83771	1.8
102.30574	1.8
111.00866	14.5
111.04498	11.1
111.08118	2.9
127.11269	100.0
129.05595	2.4
131.08308	3.1
133.13269	1.9
137.02397	3.1
154.94711	21.4
155.03409	2.6
172.83012	22.9
173.04573	4.0
173.06146	2.2
173.11818	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0817
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
54.96952	0.4
59.01375	62.8
62.38708	0.4
63.16048	0.4
67.01878	0.4
73.02927	2.2
83.05020	0.7
85.02941	2.3
85.06073	0.7
85.06577	16.4
93.03430	3.0
97.17460	0.5
99.04446	0.5
101.04854	0.4
111.00842	7.1
111.04527	1.4
113.06065	13.8
129.09215	0.6
131.07121	100.0
137.02399	1.6
154.99861	0.5
155.03525	0.5
173.08218	0.9
173.09590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1182
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
50.05982	0.4
50.73954	0.4
55.61765	0.4
61.28843	0.3
62.22377	0.4
67.01871	0.5
73.02934	0.4
83.05035	0.4
85.02923	1.0
93.03454	1.7
100.81770	0.4
101.32668	0.4
111.00877	7.1
125.07470	0.4
127.11285	11.0
131.84828	0.4
155.10774	2.6
171.10324	0.9
173.11821	100.0
185.65749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0817
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03444	4.0
59.01377	28.2
62.51436	0.5
65.10765	0.5
67.01850	0.9
73.02938	1.2
75.81760	0.5
81.16279	0.5
83.05011	10.1
85.02946	3.1
85.06574	7.2
93.03467	3.8
95.04911	0.5
109.06590	0.8
111.00867	12.0
111.04531	0.9
111.08140	100.0
113.06059	6.2
118.34385	0.5
129.09189	5.6
131.07124	38.6
146.04782	0.6
154.99879	0.8
155.07129	0.7
155.72861	0.5
157.73608	0.6
173.04759	0.6
173.08195	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	173.0452
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
55.01868	2.6
57.03437	1.3
58.00586	0.8
59.01370	1.2
60.77447	0.5
65.03956	0.9
67.01872	0.6
69.03442	1.1
71.01365	5.8
73.02933	49.2
81.03438	5.5
83.05010	22.4
85.02936	12.1
85.06565	0.6
92.19999	0.6
93.03438	100.0
99.00858	13.5
99.04498	16.2
99.05098	0.9
101.02377	0.7
109.02934	0.6
111.00858	10.7
111.04499	43.1
114.77876	0.5
129.01926	4.9
129.05562	2.3
137.02429	29.4
141.38530	0.5
142.99854	0.8
143.03456	4.6
154.99892	0.8
155.03485	9.8
173.04518	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	173.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74932	0.5
54.96729	0.5
55.01873	2.5
57.03446	1.2
58.00587	0.8
59.01377	2.3
59.05195	0.4
60.40755	0.4
65.03951	2.3
65.22101	0.5
67.01906	0.7
69.03456	2.0
71.01368	4.7
71.05021	1.2
72.99298	0.7
73.02933	53.7
77.97726	0.5
81.03445	7.5
83.05017	24.4
85.02934	15.1
93.03439	100.0
97.63406	0.5
99.00865	13.9
99.04500	14.1
101.02431	1.0
111.00883	2.9
111.04500	38.7
113.02417	0.7
129.01910	6.9
129.05586	2.3
137.02434	33.3
142.29088	0.5
143.03473	4.7
148.29997	0.5
149.86093	0.6
155.03496	11.2
173.04546	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	172.0978
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02969	0.6
62.60563	0.2
70.13192	0.3
73.14310	0.3
80.60603	0.3
81.23617	0.2
82.06597	0.3
82.40837	0.3
89.89326	0.2
92.19965	0.3
94.85658	0.2
101.23485	0.3
106.13443	0.3
128.10809	2.8
130.08723	100.0
144.31662	0.3
166.22690	0.3
172.09775	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	173.0089
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
50.38737	0.6
52.00158	0.7
55.01883	1.3
55.57151	0.7
57.03441	2.9
58.00579	1.5
59.01383	1.7
65.03971	0.6
67.01894	1.7
69.03437	1.8
71.01371	5.8
72.99297	2.9
73.02939	46.4
81.03455	4.4
82.90418	0.7
83.05017	19.1
85.02940	100.0
85.06606	0.7
93.03445	84.6
99.00859	10.2
99.04504	13.9
101.02457	1.1
105.20415	0.8
109.02934	1.5
109.71257	0.6
111.00867	46.2
111.04501	35.7
111.05276	0.8
113.02406	1.0
129.01930	20.0
129.05577	2.8
131.08249	38.7
135.50186	0.8
137.02429	26.6
143.03471	5.9
155.03481	10.4
156.48268	0.8
173.00893	1.2
173.04535	13.0
173.10481	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	172.0978
Annotation	Hexanoylglycine
Peak:m/z	Relative Intensity
58.44585	0.9
59.13351	0.9
59.21731	0.9
64.52695	0.9
66.92577	1.0
71.05007	1.3
88.04027	77.2
100.07671	100.0
127.99857	1.3
128.10785	1.4
137.73633	1.0
172.09760	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0767
Annotation	Pyroquilon
Peak:m/z	Relative Intensity
52.51085	1.1
65.41011	1.6
88.76378	1.4
92.20036	4.9
105.23524	1.3
128.05084	10.7
129.05865	2.0
130.06613	65.6
130.08687	2.3
144.04532	2.4
146.06035	2.1
157.05322	21.9
172.04202	2.0
172.07663	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	171.1389
Annotation	8-methyl Nonanoic acid
Peak:m/z	Relative Intensity
60.30530	0.3
61.87439	0.4
86.33462	0.4
89.02430	2.2
108.86843	0.4
125.57680	0.4
127.07642	0.5
127.11257	1.0
128.90068	0.5
129.91913	0.4
170.83356	3.2
171.01981	2.6
171.10316	8.0
171.13899	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	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
57.03447	3.2
62.60372	1.7
68.19941	1.7
69.03438	2.4
71.05011	32.7
76.66540	1.8
83.05018	3.3
89.02426	9.7
99.08144	100.0
106.53603	1.8
119.33844	2.0
125.09698	41.2
127.10525	3.2
127.11271	89.5
145.60962	2.0
153.09196	14.4
171.01990	9.9
171.10258	81.3
171.13933	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	171.1025
Annotation	Aspinotriol B
Peak:m/z	Relative Intensity
56.56700	0.4
68.44356	0.5
125.09705	23.9
127.07630	100.0
171.06636	15.0
171.08098	0.8
171.10248	21.7
171.13864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
51.45913	0.8
63.20969	0.9
71.05009	30.5
75.23788	0.9
79.34174	1.1
82.19222	0.8
83.05019	4.8
83.99396	1.0
87.05831	0.9
90.09183	1.1
92.19939	1.1
96.12422	0.8
97.06518	0.9
97.33866	0.8
99.08152	4.0
104.72449	1.0
125.09706	8.1
127.11272	100.0
153.09195	19.2
171.10260	61.9
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
57.67182	1.3
58.39420	1.5
61.87276	1.6
67.05496	1.4
67.45611	1.6
70.31162	1.6
70.50959	1.5
75.59838	1.3
78.95905	1.9
87.39764	1.6
103.03007	1.7
109.06607	1.9
111.43237	1.5
125.09704	92.5
127.07642	25.7
127.11308	2.3
171.01996	6.3
171.06636	7.8
171.10260	100.0
171.13791	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	169.1233
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
58.44663	1.3
60.87448	1.4
61.85589	1.5
71.01383	1.6
71.57756	1.4
74.68069	1.5
80.04719	1.6
80.12658	1.4
92.19959	1.8
125.09721	7.2
155.64861	1.9
168.98090	1.8
169.08646	6.1
169.10884	3.6
169.12323	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	170.1185
Annotation	gabapentin
Peak:m/z	Relative Intensity
54.84577	1.0
76.81050	1.1
78.67679	1.1
93.00394	1.2
95.12569	1.2
118.97009	1.1
138.74908	1.0
170.11845	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	171.0661
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
63.96317	0.4
67.56529	0.3
76.22172	0.3
102.28428	0.3
118.38296	0.3
125.09785	0.4
127.07628	100.0
146.93459	0.3
171.01956	0.7
171.06606	14.1
171.10225	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	171.1025
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
55.42140	0.5
59.44763	0.5
61.20256	0.5
74.16071	0.5
98.15250	0.5
98.20018	0.5
99.67459	0.5
113.90910	0.8
122.74043	0.5
125.09691	2.9
127.11280	5.4
127.12081	0.6
127.70053	0.5
153.09235	2.0
171.10251	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	169.0869
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
57.03436	1.0
64.64854	0.1
69.03435	0.6
69.78808	0.1
71.42922	0.1
75.56230	0.2
75.86711	0.1
87.00867	0.3
92.19923	0.3
105.58530	0.2
109.06559	1.2
125.09707	100.0
134.46620	0.2
141.21906	0.2
163.29395	0.2
165.14992	0.2
169.08711	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	169.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61934	1.5
51.04997	1.8
53.99618	1.6
60.70483	1.6
61.72243	1.6
64.37337	1.4
66.92886	1.5
72.58681	1.7
81.87410	1.9
87.00871	6.9
125.09701	7.1
169.12332	100.0
181.63618	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	169.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38540	3.2
59.01385	39.1
61.14436	3.3
64.90456	3.5
68.74799	3.9
69.62637	3.8
71.01372	3.9
79.15073	3.4
79.17937	3.4
94.76785	3.9
97.06571	4.7
123.08138	42.1
125.09726	36.7
139.21819	3.4
151.07652	8.7
163.66940	3.8
163.88214	3.9
168.98100	4.3
169.08691	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	169.0869
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
55.01876	4.2
68.34261	0.9
69.03460	4.6
71.05012	25.9
72.10123	0.9
83.05022	7.2
87.00858	1.4
123.08141	9.6
125.09706	100.0
140.24385	1.0
169.08698	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	169.0868
Annotation	Boonein
Peak:m/z	Relative Intensity
53.08813	3.0
53.19072	2.9
59.01377	38.1
62.36993	3.2
71.01371	3.4
76.82671	3.6
97.06586	4.9
106.45361	3.0
123.08147	38.9
125.09690	33.9
151.07605	15.3
154.19223	3.5
168.98059	4.1
169.08688	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	169.0868
Annotation	Boonein
Peak:m/z	Relative Intensity
59.01375	40.9
81.05081	4.1
82.11878	3.1
93.03474	5.3
94.85586	3.8
104.01781	3.2
110.59750	3.3
118.36610	3.6
123.08134	32.4
125.09692	33.9
146.66484	4.0
151.07584	16.2
169.08684	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	169.0869
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
51.57275	2.5
57.67971	2.6
59.01376	42.0
63.30421	2.6
63.34509	2.7
93.03430	5.0
97.06590	4.4
98.19034	3.0
109.59085	2.9
112.44679	3.1
115.17284	3.4
116.68883	2.6
123.08130	33.3
125.09704	38.1
125.77301	3.0
151.07663	13.0
169.08694	100.0
176.26312	3.0
184.16734	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	167.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00241	0.4
50.06659	0.4
50.13694	0.4
51.55450	0.4
54.56795	0.4
55.49862	0.4
66.19333	0.4
70.88964	0.4
78.30436	0.6
78.95897	2.4
80.56416	0.5
96.75847	0.5
108.02162	40.8
123.04506	14.5
133.84032	0.5
152.01143	100.0
167.02068	0.7
167.03481	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	167.1075
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
56.28756	3.5
62.56838	3.6
69.03492	4.0
80.32354	3.8
80.48137	4.0
85.03476	4.1
87.45596	4.8
99.08144	6.5
100.59967	4.6
108.02165	4.3
123.11789	16.8
131.03268	4.7
152.01094	9.4
167.03479	9.2
167.10767	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	168.999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66243	1.0
55.54431	1.1
56.83541	1.0
57.69056	1.4
59.01373	2.4
64.14583	1.2
68.92920	1.4
69.60669	1.2
71.01373	1.7
71.02327	1.2
71.58982	1.3
124.99984	1.5
125.00925	68.4
126.98859	100.0
141.97563	11.3
151.16483	1.3
168.98325	2.5
168.99907	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0348
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
95.01324	0.4
108.02152	42.7
112.55163	0.3
123.04501	15.5
123.08111	1.9
124.01583	0.4
125.04960	1.4
139.07591	0.8
149.06052	0.6
152.01132	100.0
153.84221	0.3
153.87672	0.4
167.03481	19.1
167.06000	1.4
167.07268	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	167.0349
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
54.53634	0.3
59.96965	0.3
67.01880	0.4
71.14381	0.3
74.05536	0.3
77.79863	0.4
80.46212	0.3
83.01382	0.6
91.01897	0.4
95.01390	0.8
100.83203	0.5
108.02161	26.4
111.00873	5.6
123.00901	3.0
123.04509	2.0
123.08131	0.5
124.01656	4.2
139.00368	0.9
151.99347	0.5
152.01152	32.0
167.03487	100.0
170.36894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87392	0.4
72.70965	0.5
78.95908	0.6
87.18843	0.5
96.99435	0.5
107.44816	0.5
108.02161	43.2
123.04500	14.0
124.53196	0.6
149.02467	0.7
152.01140	100.0
167.03473	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	167.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72071	0.2
63.13121	0.3
74.31434	0.3
80.02666	0.3
91.01868	6.0
108.02160	41.5
123.04503	28.5
123.29051	0.3
123.73141	0.4
140.63062	0.4
145.16426	0.3
152.01140	100.0
167.03479	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	167.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89318	0.3
68.19569	0.3
78.95925	1.8
90.24579	0.3
91.01900	0.6
104.12454	0.4
108.02158	42.1
123.00790	0.4
123.04504	18.1
123.08160	0.6
149.02531	0.4
152.01141	100.0
167.03476	19.3
167.07091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54229	0.6
58.42760	0.7
59.01380	38.4
72.00887	1.4
72.36219	0.8
93.03449	24.9
107.04993	3.2
119.04989	5.1
121.02912	12.2
121.06580	28.8
123.04521	1.7
130.08560	0.9
137.02452	0.9
148.04852	7.1
150.03221	5.5
165.05554	100.0
165.07465	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	167.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46662	0.4
64.82627	0.4
65.69528	0.4
71.04050	0.4
78.95907	9.2
95.05003	0.4
101.08878	0.4
108.02164	42.1
123.03652	0.8
123.04512	13.1
123.08132	0.8
130.14206	0.4
152.01151	100.0
167.03473	16.7
167.04790	0.7
167.06940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68592	0.2
60.04989	0.2
64.49414	0.1
70.75449	0.2
75.85485	0.2
78.95911	0.9
83.88049	0.2
84.90487	0.2
85.54393	0.2
108.02147	1.4
121.06561	0.2
123.00844	2.2
123.04490	1.4
123.07254	0.2
123.08131	0.4
124.01640	9.9
130.71883	0.2
152.01138	100.0
167.03479	12.1
182.15196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0347
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
55.04337	0.6
60.09357	0.6
68.02513	0.8
72.95306	0.6
78.95887	0.7
79.95713	1.2
80.02682	1.3
80.93215	0.8
80.96498	1.0
95.01432	0.7
95.05036	0.9
96.02002	0.6
108.02155	40.1
108.04558	1.6
109.04862	7.8
121.00018	0.6
123.04498	15.8
124.01508	13.1
131.94319	0.6
137.04327	1.0
138.05582	2.7
139.05943	12.7
152.01132	100.0
166.89589	0.8
166.99960	1.0
167.02063	17.4
167.03513	24.5
167.05502	7.5
167.08218	1.2
171.03560	0.7
179.48747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99179	0.1
102.49161	0.2
104.98154	0.5
105.01895	0.2
106.04229	8.0
119.05000	1.2
121.02958	0.9
121.06575	100.0
122.03695	0.3
123.04503	2.1
138.03223	0.2
147.04507	8.8
150.03163	0.2
161.41542	0.1
165.05551	16.4
165.09224	0.5
184.11420	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	165.0555
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
60.99168	0.7
68.88318	0.6
69.93015	0.6
74.01128	0.8
95.04955	0.8
104.98170	2.2
112.96869	0.6
121.02939	8.4
122.03731	27.9
123.04502	100.0
134.02545	0.6
150.03238	8.2
165.05548	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0554
Annotation	2,5-Dihydroxy-4-methylacetophenone
Peak:m/z	Relative Intensity
56.28619	0.6
57.03429	0.8
59.01376	5.0
68.42788	0.5
71.01377	3.4
72.99287	1.1
75.00859	33.4
79.95724	3.1
85.02943	1.2
87.00861	16.9
88.89342	0.6
89.02433	2.7
93.02885	0.9
93.03439	17.1
93.04025	0.6
97.70845	0.5
99.00838	5.1
100.29799	0.5
101.02425	1.3
105.01273	0.6
105.01920	12.1
107.05033	1.1
108.39382	0.6
117.01991	0.6
121.02930	26.9
122.03722	18.2
123.04501	100.0
123.78111	0.5
129.01921	5.5
135.04504	2.7
137.02435	1.2
147.02963	2.8
148.41713	0.6
150.03217	6.0
164.89986	4.5
165.01920	1.2
165.04025	28.7
165.05544	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0554
Annotation	2,5-Dihydroxy-4-methylacetophenone
Peak:m/z	Relative Intensity
70.93707	0.4
71.08681	0.6
75.00843	2.3
77.65151	0.5
87.00862	0.8
92.86033	0.5
93.03429	1.1
100.43134	0.5
113.43458	0.5
119.56648	0.5
121.02959	2.1
122.01746	0.6
122.02825	0.7
122.03720	18.3
123.04501	100.0
128.54060	0.6
137.02455	0.7
150.03197	6.8
165.04143	2.3
165.05540	53.7
174.56671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
58.25363	0.4
58.81817	0.3
62.22894	0.3
63.96249	0.6
64.33316	0.3
72.00895	3.7
73.01222	0.6
78.10418	0.3
89.56900	0.4
89.83904	0.3
90.19552	0.3
92.05893	0.4
93.03430	0.4
95.04992	0.9
117.36494	0.3
121.01012	0.3
122.03724	20.1
123.04504	100.0
126.64394	0.3
137.02423	0.7
147.04497	1.4
148.04843	18.3
150.03224	4.9
165.05553	60.4
165.07515	5.8
176.81715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	2,5-Dihydroxy-4-methylacetophenone
Peak:m/z	Relative Intensity
50.40656	0.4
59.01378	2.3
68.23987	0.5
71.01372	2.1
75.00862	5.7
87.00855	5.4
87.11232	0.5
89.02437	0.9
90.26145	0.5
92.01168	0.5
93.03424	2.9
95.05019	0.6
99.00858	1.0
101.02415	0.9
104.44420	0.5
105.01929	4.5
121.02937	6.5
122.03720	18.7
123.04504	100.0
137.02400	2.2
150.03204	7.6
154.02713	0.6
165.04044	5.9
165.05533	50.8
165.34492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
55.59364	1.4
56.88598	1.6
57.69427	1.5
58.95669	1.3
59.01375	16.8
59.67264	1.5
72.64300	1.5
103.05515	16.4
118.06597	7.0
147.04538	8.4
147.21220	1.6
164.05768	3.5
164.07156	100.0
173.15688	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	165.0402
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
59.01373	14.1
71.01376	7.2
72.99295	4.6
73.02945	2.5
75.00861	72.4
85.02940	4.0
87.00862	76.5
89.02432	4.9
99.00867	22.2
101.02447	6.4
105.01920	66.7
117.01932	4.5
129.01923	12.5
147.02988	14.8
165.04028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
57.50792	1.0
60.00732	1.0
66.21981	1.1
66.84384	1.0
71.06085	0.9
72.00900	28.4
72.66404	1.0
75.42253	1.0
91.05524	4.5
93.03437	4.1
103.05531	4.8
110.87878	1.0
119.06796	1.1
132.78383	1.1
147.04506	100.0
164.07173	55.8
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	Unknow
Peak:m/z	Relative Intensity
53.72711	0.9
55.08193	0.9
61.32695	0.9
72.00897	31.4
75.75050	0.9
75.78702	1.0
76.95729	1.1
91.05489	2.3
92.20002	2.3
93.03423	10.3
101.51525	1.1
103.05512	4.3
113.50694	1.3
115.24220	1.2
147.04503	100.0
164.07159	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
56.86095	0.8
72.00902	31.0
74.49124	0.8
80.57675	0.8
81.76397	0.9
91.05517	4.5
91.17837	0.9
103.05513	5.2
119.05002	1.6
147.04504	100.0
164.07162	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
58.36735	0.8
59.01377	22.7
71.88932	0.9
72.00897	2.1
74.73506	0.9
88.50563	0.9
88.77775	1.1
92.05859	1.4
93.03479	1.2
103.05527	9.3
113.75811	0.9
118.06628	5.6
119.05004	1.4
120.05353	8.0
136.04021	1.1
147.04515	16.5
164.07167	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	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99611	1.5
59.01366	0.3
71.01359	0.2
74.99072	0.3
76.67501	0.2
83.85848	0.2
84.07703	0.2
91.05511	1.6
93.03439	0.9
96.41212	0.2
102.98589	4.7
119.05008	100.0
135.04515	0.2
162.89250	0.3
163.04001	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	163.1128
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
58.99593	1.8
59.01369	4.0
68.14649	0.8
71.54554	0.8
71.80427	0.9
91.05513	16.4
93.03439	4.0
101.02435	1.8
102.98582	9.0
106.04185	1.5
107.04945	1.3
119.05017	13.8
121.02892	1.6
135.04518	5.6
157.02788	1.0
162.83893	1.6
162.89177	2.2
162.90306	5.1
163.02753	0.9
163.03984	7.8
163.06169	2.3
163.07545	1.8
163.11272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96235	100.0
64.97013	0.9
72.00891	4.6
91.05522	0.5
100.54877	0.3
103.05531	0.4
116.07141	2.5
135.88390	0.3
143.61203	0.2
147.04509	17.1
164.03783	0.3
164.07159	8.8
164.08461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96235	100.0
64.97013	0.9
72.00891	4.6
91.05522	0.5
100.54877	0.3
103.05531	0.4
116.07141	2.5
135.88390	0.3
143.61203	0.2
147.04509	17.1
164.03783	0.3
164.07159	8.8
164.08461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	0.3
58.62437	0.3
58.99602	5.6
59.01381	2.0
65.70322	0.2
73.92643	0.2
74.99078	2.1
77.58804	0.3
81.64401	0.3
91.05517	100.0
93.03450	0.4
101.02454	0.3
102.98586	15.7
103.71851	0.3
119.05002	1.6
120.99675	0.4
135.04489	2.7
159.39668	0.3
162.89220	0.4
162.90396	0.3
163.03970	2.4
163.06131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	3-Oxo-3-phenylpropanoate
Peak:m/z	Relative Intensity
55.81525	0.3
58.99601	24.9
59.01376	7.6
63.59734	0.3
63.86566	0.3
74.99090	7.3
75.84337	0.3
84.55916	0.3
90.98856	0.3
91.05547	2.6
93.03448	0.7
101.02431	0.5
102.98584	68.9
110.30784	0.3
117.03436	1.4
119.05005	100.0
120.99622	2.8
135.04518	0.6
137.06082	0.4
162.90334	1.1
163.03992	5.3
163.06123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40277	0.4
58.99603	5.9
59.01367	2.1
62.32743	0.3
71.48172	0.3
74.99088	2.2
75.19593	0.3
91.05518	100.0
93.03452	1.3
102.98583	16.6
113.60529	0.3
115.98887	0.4
119.05003	14.0
121.06569	0.4
133.60591	0.4
135.04507	3.6
162.89236	0.4
162.90399	0.6
163.03984	4.7
183.08867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99426	0.4
51.41826	0.4
58.99603	7.5
59.01369	1.8
60.66074	0.4
73.02977	0.4
74.99084	2.6
81.39905	0.4
91.05516	100.0
93.11532	0.5
102.98584	20.7
119.04985	6.6
120.99651	0.6
135.04536	1.0
154.55824	0.5
163.04022	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	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19588	0.1
58.99600	0.1
59.15037	0.1
60.77790	0.1
65.03947	0.1
85.92524	0.1
88.42059	0.1
91.05518	1.2
93.03447	0.6
102.98587	0.5
105.01131	0.1
117.03467	1.2
119.05008	100.0
146.43599	0.1
163.04007	2.7
175.18335	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	163.0399
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
54.61143	0.4
58.99606	3.2
59.01371	0.4
67.02103	0.3
74.99086	0.7
91.05530	8.7
93.03451	0.4
102.98595	8.4
117.03437	0.7
119.05004	100.0
147.53462	0.4
163.02783	0.4
163.04001	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	163.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86296	0.4
58.02964	1.8
58.99606	3.6
59.01378	0.7
59.03317	0.9
61.98109	0.4
63.20880	0.4
69.85037	0.4
70.81927	0.5
74.99108	1.5
76.50275	0.3
88.58152	0.4
91.05516	100.0
102.98579	11.0
104.51308	0.4
119.04996	10.0
122.28757	0.5
135.04501	2.4
162.90414	0.5
163.04005	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	163.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
81.19949	0.5
91.05517	100.0
102.98597	2.2
135.04543	1.1
139.19365	0.7
163.03979	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	162.0322
Annotation	2-Amino-5-chloro-5-hexenoic acid
Peak:m/z	Relative Intensity
53.02298	1.5
55.81567	1.4
64.33198	1.7
66.57503	1.5
70.85500	1.6
93.30321	1.5
95.43489	1.7
107.00692	1.8
118.70704	1.9
120.02094	2.2
123.88671	1.6
134.03729	26.9
161.02463	10.4
162.02011	4.6
162.03215	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	163.0399
Annotation	2-Hydroxycinnamic acid, predominantly trans
Peak:m/z	Relative Intensity
58.99599	2.3
59.01373	2.6
61.98826	3.0
63.91107	1.6
72.29234	1.5
77.13033	1.3
93.03452	2.1
101.02441	2.1
101.49521	1.5
102.98583	9.0
119.05006	100.0
126.19114	1.3
135.04524	1.9
162.83908	76.4
162.89117	12.2
162.90321	8.5
163.04012	20.4
163.06105	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	163.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40025	0.2
58.99368	0.2
58.99605	3.3
59.01367	1.1
60.46587	0.1
62.68636	0.1
74.99091	0.9
91.05517	2.6
93.03423	0.3
97.63223	0.2
101.30534	0.1
102.98585	9.8
117.03506	0.3
119.05003	100.0
120.99652	0.2
163.03993	2.4
173.90567	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0229
Annotation	Acetylcysteine
Peak:m/z	Relative Intensity
54.09486	0.3
54.71170	0.3
56.70280	0.4
57.58010	0.4
58.02975	100.0
62.89732	0.3
75.10583	0.3
76.02251	19.8
118.03355	3.4
121.77248	0.4
136.00154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13638	2.4
59.01380	28.7
71.01376	13.2
73.02930	32.5
85.02941	32.2
92.19956	5.8
101.02421	4.6
105.60231	2.9
113.02429	4.2
131.03477	10.2
147.24158	2.9
160.04027	92.5
161.02411	4.2
161.04799	100.0
161.06128	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95579	2.4
59.01376	28.4
63.79543	2.4
71.01361	14.2
73.02929	30.0
75.00883	3.1
83.01365	5.5
85.02936	34.4
89.02436	3.3
95.62652	3.4
101.02400	4.7
113.02458	4.0
131.03488	14.5
132.04500	3.9
133.02953	5.4
160.04027	91.8
161.02492	9.1
161.04770	100.0
161.06116	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	161.0454
Annotation	Lichenin
Peak:m/z	Relative Intensity
55.01882	5.0
57.03446	9.2
59.01379	100.0
69.03459	2.1
71.01375	55.1
72.99269	2.6
73.02939	98.4
75.00873	2.3
78.78601	1.2
81.03459	2.7
83.01378	21.6
85.02943	78.5
87.00860	1.9
89.02419	8.5
95.01369	18.6
97.02956	2.1
101.02432	12.4
113.02433	44.1
115.00873	1.1
125.93783	1.4
131.03476	21.4
133.02933	1.6
146.03746	1.3
146.04895	2.0
147.63448	1.1
152.48326	1.3
160.89285	2.8
161.02414	6.7
161.04578	12.2
161.05865	2.6
161.07199	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0453
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
57.03447	52.9
57.50515	0.9
58.92301	0.9
59.01083	1.8
59.01379	46.7
64.08109	0.9
69.03433	1.3
70.33088	1.0
71.01372	19.4
71.05023	10.4
71.83034	1.1
72.99290	10.6
73.02929	27.7
75.00849	2.6
75.78251	0.9
81.03436	4.1
83.01364	7.3
83.86697	1.0
85.02937	41.0
87.00863	30.9
87.04514	4.8
88.04034	2.1
89.02425	9.2
89.04392	2.0
97.02927	4.2
99.00862	2.4
99.04507	100.0
101.02434	54.2
102.73969	0.9
105.45715	1.1
113.02428	4.3
114.38419	1.1
115.03976	4.7
117.05576	7.1
125.02421	1.4
131.03476	16.3
131.05437	1.5
133.02956	6.9
142.60159	1.0
143.03494	20.3
161.02429	2.7
161.04549	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0455
Annotation	Lichenin
Peak:m/z	Relative Intensity
55.99547	2.8
57.03450	5.8
59.01379	95.1
66.56622	2.2
69.03435	5.3
71.01366	61.6
72.99297	2.5
73.02939	100.0
81.03448	5.4
83.01376	17.8
84.61847	2.3
85.02940	95.4
87.00871	4.4
89.02451	19.5
92.19978	6.3
95.01379	14.8
101.02441	9.6
113.02431	24.6
117.88151	3.2
122.33924	2.4
131.03464	34.3
133.02988	4.9
160.89355	4.2
161.02449	4.0
161.04616	33.3
161.05896	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	161.0243
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
57.03442	1.5
59.01387	7.8
71.01363	2.7
73.02925	5.6
75.00852	2.9
75.90844	0.6
83.01376	1.3
85.02933	9.0
87.00861	3.4
89.02456	1.1
99.04482	5.1
101.02370	1.3
104.94250	0.8
105.03452	0.9
117.03417	0.9
123.04414	0.7
131.03487	5.0
132.02148	3.6
133.02946	100.0
143.03543	0.8
150.36639	0.6
161.02437	88.1
161.04362	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	161.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58095	0.2
54.25098	0.2
57.03447	0.5
59.01375	2.7
67.03940	0.2
71.01375	2.6
73.02932	3.4
83.01379	0.9
84.54739	0.2
85.02940	3.5
89.02418	0.3
95.01367	0.5
101.02439	0.5
103.72748	0.2
113.02430	1.1
115.05319	0.2
131.03503	1.3
132.55179	0.3
133.02930	6.5
161.02423	100.0
173.83391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0243
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
57.03441	0.2
59.01362	1.3
60.43767	0.2
69.18728	0.2
71.01374	0.9
73.02934	1.2
75.00867	0.4
80.02334	0.2
83.01369	0.3
85.02937	1.9
94.68842	0.2
105.03442	0.3
107.23680	0.2
131.03505	0.8
133.02946	7.6
161.02429	100.0
168.65855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0402
Annotation	Jineol
Peak:m/z	Relative Intensity
59.09075	2.5
63.42118	2.6
92.20036	5.5
117.92868	2.9
118.81284	2.6
132.04530	3.0
139.90758	2.7
150.27554	2.7
160.04018	100.0
168.76337	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	161.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
58.36667	0.7
59.01378	11.1
71.01372	6.0
73.02934	9.1
75.00861	12.5
81.03463	1.1
83.01366	1.7
85.02938	12.1
87.00880	0.9
88.35887	0.7
89.02443	3.3
99.04485	1.3
101.02454	1.4
102.94326	0.7
105.03447	0.9
113.02422	0.8
115.07678	0.9
117.03481	0.9
131.03502	6.2
132.02153	6.4
133.02940	100.0
143.03568	0.9
160.01634	0.8
161.02432	99.0
161.04376	7.6
161.08244	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	159.1025
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
51.50296	0.5
53.92464	0.4
55.41061	0.4
57.08598	0.4
73.02940	0.9
73.48874	0.4
75.79635	0.4
92.20024	0.5
96.54933	0.4
99.58921	0.5
99.92581	1.8
111.08124	2.2
113.09708	100.0
114.91985	1.1
114.94932	2.7
116.92831	8.7
124.55122	0.4
141.09221	2.6
148.52165	0.5
157.08626	1.0
159.02994	1.0
159.10243	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87135	1.0
55.94967	1.0
55.95731	1.2
56.08916	1.0
57.03445	14.6
60.34137	1.1
81.03419	2.3
86.95411	1.7
99.92567	18.7
108.16596	1.2
114.90156	1.2
114.94914	21.4
115.05553	9.6
116.92023	2.7
116.92840	61.1
121.02908	1.2
121.27735	1.3
124.31781	1.3
129.07112	9.8
129.09113	1.3
135.66655	1.2
141.07108	21.7
157.06566	16.4
158.93877	9.2
159.02966	2.4
159.06691	7.3
159.08127	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	159.1024
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
66.48117	0.5
73.02936	0.7
100.85703	0.5
113.09696	17.4
116.92834	2.4
141.09193	0.9
144.03773	0.5
144.69907	0.5
147.58086	0.6
157.08681	2.0
159.02747	10.8
159.04538	1.2
159.06734	4.2
159.10243	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	159.0662
Annotation	Pimelic acid
Peak:m/z	Relative Intensity
54.34925	0.2
69.03432	0.3
73.02938	1.4
85.02993	0.3
87.00842	0.4
92.19371	0.3
95.05013	12.4
97.06574	100.0
101.02470	0.5
111.00883	0.5
115.07629	51.4
129.01947	0.6
141.05547	4.4
159.02992	1.6
159.04494	3.2
159.06612	36.7
159.10222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0457
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
55.01874	0.3
56.01386	0.3
56.39192	0.3
57.03442	2.0
58.02972	0.4
74.02464	0.3
82.45656	0.3
83.01368	0.5
84.04552	4.3
86.06101	85.5
98.02464	0.6
98.06102	0.3
112.04027	100.0
114.05591	20.7
116.07169	0.5
128.07181	0.5
140.07117	0.4
156.06659	0.6
158.04567	23.6
158.08182	4.3
161.72664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0662
Annotation	(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
50.75938	1.6
55.01862	4.6
56.96487	1.8
57.03446	46.6
59.01087	3.3
59.01374	88.1
59.72155	1.8
69.03451	22.2
71.01375	30.1
71.05006	17.2
72.99290	3.3
73.02934	14.2
75.00831	2.3
83.01374	18.4
85.02934	33.2
85.06573	2.7
86.06094	3.8
87.00867	13.8
87.04505	26.8
87.06438	11.0
95.04982	4.6
96.47449	1.9
97.02932	92.5
97.06573	14.4
99.00840	8.8
99.04508	10.1
101.02439	4.7
104.92752	3.0
113.02418	12.6
113.04365	14.2
113.06071	19.3
114.94856	2.8
115.00667	15.7
115.03994	66.4
115.07675	2.7
117.03767	1.9
117.05519	5.0
117.07464	7.5
129.01935	13.5
131.03517	18.8
141.01900	12.7
141.05585	13.8
150.72670	2.2
157.04985	3.6
158.89296	51.8
158.92480	2.9
159.02986	72.4
159.05136	5.2
159.06598	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	157.1232
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
50.59721	0.6
51.65553	0.7
53.56294	0.8
54.47032	0.6
59.01369	3.8
68.21706	0.8
75.00848	1.1
83.05042	0.9
92.48312	0.8
114.30788	0.9
157.12321	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	157.0869
Annotation	2-n-Propyl-4-oxopentanoic acid
Peak:m/z	Relative Intensity
52.41543	3.0
53.73637	3.9
54.58298	3.1
57.03444	100.0
57.28090	3.3
59.01362	15.3
62.84758	4.3
75.00861	4.4
83.05016	5.0
85.06571	8.6
86.83076	3.2
97.06572	4.5
97.93073	5.4
111.08116	6.9
112.95448	17.6
113.09721	76.0
114.93388	38.1
156.89499	15.5
157.05115	7.2
157.08688	87.8
157.12350	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	157.0504
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
52.38164	0.4
53.51281	0.4
58.39237	0.3
60.31122	0.4
61.39590	0.4
71.76176	0.4
83.05004	1.7
88.20056	0.4
90.96659	0.4
92.19318	0.6
95.05016	0.9
97.42842	0.4
108.43713	0.4
113.06065	100.0
113.20363	0.4
157.05045	12.3
157.08676	1.6
157.12296	0.7
179.66234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60620	0.5
86.34686	0.6
92.64729	0.6
128.05017	2.4
155.07336	2.5
156.08177	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	155.1076
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
53.30225	1.4
55.01871	2.8
64.83434	1.3
65.75576	1.4
75.27949	1.4
81.15724	1.5
83.01347	2.0
93.03471	2.1
109.06590	2.4
111.08138	43.1
121.99478	1.4
125.89451	1.5
148.64159	1.5
151.76279	1.4
155.07141	3.6
155.10762	100.0
170.44931	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	155.1076
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
58.87307	1.4
59.01382	2.3
59.67188	1.3
59.67485	1.4
64.69836	1.9
66.39598	1.4
69.85531	1.5
81.73077	1.5
83.05025	1.6
93.03426	6.8
97.01263	1.5
113.02374	1.9
155.10765	100.0
156.76343	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	155.0712
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
53.60714	1.2
55.01873	6.2
59.01086	2.7
59.01376	66.5
60.20163	1.1
64.27319	1.1
67.01889	2.1
73.38107	1.2
81.03423	3.1
83.01389	1.7
83.05013	14.4
91.31227	1.4
93.03450	12.7
109.06580	45.4
111.00836	2.4
111.04491	5.8
111.08147	33.3
123.00902	1.3
130.47472	1.3
137.02443	1.6
137.06085	18.4
154.99835	2.6
155.07129	100.0
156.20486	1.2
170.17044	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	153.1284
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
51.29853	2.2
61.37949	3.0
62.72206	2.7
80.96505	3.8
96.47747	2.9
97.06573	29.2
99.08144	7.3
109.02917	17.1
122.57010	2.8
141.47940	3.1
153.01942	5.6
153.05553	3.6
153.09219	3.9
153.12834	100.0
159.08778	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	154.0508
Annotation	(3S,5S)-Carbapenam-3-carboxylic acid
Peak:m/z	Relative Intensity
53.20208	0.3
56.11670	0.4
61.74828	0.3
65.03961	0.4
67.01859	0.4
70.02972	2.4
77.87360	0.4
78.19877	0.4
78.20451	0.3
81.03427	0.4
82.02959	0.4
83.05003	5.9
84.04544	0.7
85.48283	0.4
92.05056	0.6
92.19429	0.6
96.04527	0.5
98.02460	100.0
99.06982	0.4
108.04516	3.6
110.02473	5.9
110.06085	0.7
111.04511	3.0
112.04019	1.8
114.29158	0.4
124.04029	11.5
124.69366	0.4
126.05595	2.1
128.64447	0.4
131.44014	0.4
136.04028	30.2
138.00963	0.8
138.01944	9.3
139.02747	2.7
154.05084	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20865	2.6
51.58347	2.6
51.75566	3.1
58.18430	2.9
62.94269	2.8
66.54371	3.4
68.64610	3.8
89.89651	3.2
97.02945	13.5
109.02940	16.0
109.06557	16.5
113.06004	3.2
114.44826	3.7
122.03713	70.7
123.08084	5.0
125.06036	6.2
136.05292	7.8
137.06075	43.2
138.06842	100.0
139.07643	14.9
148.66560	4.6
151.07640	62.1
152.08403	25.2
153.01933	5.9
153.05576	4.8
153.09183	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	153.0919
Annotation	Levodione
Peak:m/z	Relative Intensity
53.14403	3.3
64.18235	3.5
88.39471	3.9
92.33738	3.9
94.28783	3.9
109.02904	6.6
117.46835	4.0
123.00869	4.3
133.01317	3.9
142.60435	3.9
153.00638	5.0
153.01851	7.0
153.09195	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	153.0555
Annotation	2,6-DIHYDROXY-4-METHOXYTOLUENE
Peak:m/z	Relative Intensity
61.83807	0.3
65.00327	0.5
79.05527	0.4
81.03455	1.2
82.00597	0.3
88.58623	0.2
93.03429	0.4
95.01350	1.6
95.05061	0.4
100.11493	0.3
105.02375	0.3
106.04250	1.2
107.05018	6.3
108.02129	0.5
109.02938	7.4
109.06557	1.5
110.00114	0.4
110.03674	0.5
115.35800	0.3
120.02142	19.4
121.02950	0.4
123.04507	6.6
125.06059	1.0
134.03761	1.2
135.04501	2.0
138.03209	29.3
153.02116	3.1
153.05554	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	152.0351
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
57.69506	0.2
76.59325	0.2
81.70284	0.2
110.77187	0.2
121.02926	0.3
122.03720	22.6
152.03517	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	152.0351
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
55.32497	0.3
62.80751	0.3
66.03468	2.5
73.78072	0.3
77.04435	0.3
103.25838	0.3
107.19808	0.3
108.04599	0.4
122.03715	24.8
136.05028	0.4
137.02002	1.6
151.25934	0.4
152.03519	100.0
161.44089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0192
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
60.24185	0.2
60.52139	0.2
65.40078	0.2
66.30542	0.2
68.99829	0.2
73.62174	0.2
74.43655	0.2
75.01473	0.2
81.03458	0.8
82.97821	0.2
91.01863	0.3
107.05006	0.4
108.02158	4.9
109.02938	100.0
110.00074	0.2
142.08157	0.2
153.01927	21.0
153.05484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0113
Annotation	4-Chlorothreonine
Peak:m/z	Relative Intensity
53.75694	1.0
63.39450	1.1
66.03486	5.5
67.38321	1.2
69.36675	1.3
71.21098	1.2
79.54282	1.2
80.02666	8.4
108.02161	100.0
137.02019	1.7
138.57213	1.6
147.52754	1.3
152.01149	67.8
156.88045	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	152.0114
Annotation	4-Chlorothreonine
Peak:m/z	Relative Intensity
50.74458	1.0
51.35122	0.9
66.03488	9.0
80.02686	10.4
80.27368	1.1
93.92018	1.2
108.02165	100.0
114.90469	1.2
137.01942	1.8
151.99915	2.9
152.01134	72.6
152.07095	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	151.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90881	4.0
57.49320	3.8
64.99057	4.4
67.16050	4.1
71.01369	6.2
81.63049	4.4
97.46987	4.1
101.65401	3.9
123.08189	5.2
133.06558	29.3
151.07637	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	151.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	3.5
59.83783	2.5
65.91545	2.8
71.01379	5.7
89.02414	4.3
98.56133	2.6
101.02420	12.8
102.55857	2.9
107.05013	3.8
123.08142	4.8
133.06563	28.5
136.01624	19.4
151.03964	4.0
151.06245	6.2
151.07632	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	151.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04800	2.7
57.03443	3.5
58.92327	2.9
71.01387	6.5
77.48911	2.7
89.02434	4.1
101.02467	4.1
107.05012	5.5
111.49957	2.7
118.13935	3.5
123.08114	5.0
133.06561	22.6
136.01616	17.1
151.03966	5.5
151.07623	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	151.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42984	3.3
56.52884	3.4
59.35965	3.1
60.25336	3.4
71.01366	15.2
75.74731	3.5
76.21938	4.3
86.29516	3.5
89.02444	8.6
101.02441	16.3
109.02919	4.5
110.54775	3.6
123.08138	8.4
133.06583	31.7
136.01622	37.3
151.04013	79.6
151.06248	6.7
151.07623	100.0
151.08746	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	151.04
Annotation	Vanillin
Peak:m/z	Relative Intensity
52.60398	0.4
58.11850	0.4
59.01390	3.2
68.64930	0.4
71.01371	5.2
73.02946	1.1
78.61653	0.5
82.00597	0.7
85.36937	0.4
87.20101	0.4
89.02433	2.8
91.01874	0.6
92.02663	13.2
95.01380	6.8
101.02431	5.2
107.04990	0.8
108.02173	6.7
119.01344	0.6
123.00863	1.1
123.04541	0.5
136.01649	72.5
151.03995	100.0
151.06049	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	151.0398
Annotation	Vanillin
Peak:m/z	Relative Intensity
57.73099	0.2
62.95506	0.2
65.88042	0.2
70.69007	0.2
83.23244	0.2
89.02447	0.2
92.02657	1.0
95.01344	0.3
101.02438	0.4
107.05002	0.2
107.18233	0.2
108.02158	2.0
136.01645	100.0
151.03990	11.2
151.07629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0399
Annotation	3-Hydroxyphenylacetate
Peak:m/z	Relative Intensity
59.01382	2.7
64.13804	0.5
71.01377	4.7
73.02935	1.0
73.96609	0.6
79.05524	2.7
81.03462	0.9
85.02913	0.7
89.02426	4.5
89.50328	0.6
89.91203	0.5
93.03437	17.1
95.04996	5.6
101.02430	6.8
105.03442	1.1
106.04216	1.3
107.05016	79.1
108.02179	1.0
121.02948	8.4
123.04507	68.3
133.02936	11.5
136.01656	10.8
149.02397	2.4
151.03995	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	149.0606
Annotation	hydrocinnamic acid
Peak:m/z	Relative Intensity
59.01370	9.8
63.48214	1.3
71.50087	1.6
78.65152	1.6
94.99297	3.2
104.97696	2.5
105.07107	3.7
148.13657	1.9
149.06068	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	147.0451
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
53.35782	0.3
59.01372	2.0
67.15051	0.4
84.62022	0.4
85.02940	2.2
87.00882	2.6
119.05029	4.0
129.03482	0.7
147.04512	100.0
149.37494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0606
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
50.42441	1.4
51.36198	1.4
53.49064	1.3
55.03428	1.3
66.58810	1.5
105.86354	1.4
106.04225	12.2
107.05015	36.1
120.18303	1.5
134.03720	17.2
148.05257	10.5
149.02460	1.8
149.04855	3.4
149.06055	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	147.045
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
53.09880	3.9
53.25508	3.5
57.03445	7.2
57.99630	3.1
59.01384	5.6
64.97793	3.8
65.57971	3.5
75.00898	4.1
77.91125	3.7
83.05001	7.3
85.02938	25.8
86.36691	4.2
87.00876	35.0
89.02441	4.3
102.69633	3.8
103.03936	4.6
103.05531	23.7
129.01935	6.7
131.82559	4.0
139.63647	4.1
141.12848	3.9
147.03079	13.6
147.04503	100.0
147.06581	61.0
164.02945	4.0
167.99992	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	147.0451
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
59.01370	2.1
61.98830	100.0
66.57462	0.8
69.73968	0.8
71.01400	1.1
73.68636	0.9
80.66732	0.9
83.82512	0.8
85.02951	3.2
87.00857	1.6
92.19366	1.9
99.00861	3.3
103.05524	1.2
119.05035	0.8
125.00430	1.0
147.02956	1.2
147.03194	1.3
147.04521	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	147.0298
Annotation	(-)-Citramalic acid
Peak:m/z	Relative Intensity
51.19868	0.4
57.03446	15.0
59.01383	6.6
63.21355	0.5
66.09385	0.5
71.01337	0.8
72.99266	1.7
85.02941	63.3
87.00864	100.0
100.17986	0.6
101.02431	3.7
102.05599	1.1
103.04011	12.7
103.05922	6.2
125.26316	0.6
129.01927	20.3
129.03854	3.2
145.49394	0.6
147.02991	53.4
147.06677	2.5
155.63754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0457
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
53.08818	0.1
57.03463	0.3
58.12592	0.2
59.75264	0.2
70.02953	0.3
74.02450	2.7
82.02966	0.8
84.04528	1.7
85.02933	1.2
87.92565	0.2
98.02460	0.4
98.17550	0.2
100.04047	1.3
101.02431	0.8
102.02735	0.8
102.05593	100.0
104.03504	0.2
112.29267	0.2
114.73584	0.2
115.20422	0.2
116.03506	0.8
128.03519	46.1
129.01869	0.2
142.05159	0.2
146.02580	1.0
146.04576	27.7
146.06479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67231	0.2
62.43388	0.2
63.67039	0.3
74.02473	1.0
78.61626	0.3
82.02998	0.4
84.04543	0.6
85.02941	1.5
102.05598	100.0
104.19697	0.3
110.04379	0.3
122.60136	0.3
126.30941	0.3
128.03523	48.5
146.04581	26.4
146.06467	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	145.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69873	0.4
53.92626	0.4
67.31566	0.4
79.68987	0.4
80.62691	0.4
92.19897	0.6
97.06591	2.2
99.08142	100.0
101.02464	0.6
101.06081	0.6
111.95191	0.4
127.07584	0.5
143.07164	0.8
145.08691	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1457.645
Annotation	Unknow
Peak:m/z	Relative Intensity
101.02432	6.2
111.00877	0.3
113.02433	3.8
115.41817	0.2
119.03468	2.5
125.02433	1.1
131.03485	1.0
143.03497	1.1
161.04495	2.2
179.05632	0.9
191.47820	0.2
203.05655	0.3
221.06657	2.5
367.89706	0.2
423.32632	4.3
441.33704	4.2
467.31665	0.3
485.32510	1.0
585.38055	0.3
603.39343	2.1
629.37122	2.1
647.38068	7.6
721.52203	0.3
733.24878	0.3
765.44946	1.1
791.42279	0.9
809.43811	3.7
851.43378	0.3
883.43542	0.3
927.49963	1.1
953.47137	2.6
971.48486	14.6
985.18414	0.3
1013.48645	0.3
1457.64343	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	145.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.5
58.02962	7.5
61.81132	1.0
67.02993	6.2
70.02961	2.1
71.01373	6.1
72.00894	2.7
73.02922	1.4
74.02448	13.0
82.02975	2.4
83.01379	7.3
83.03304	2.0
84.04530	27.5
86.02453	1.8
92.19414	1.9
92.88178	1.0
98.02460	4.9
98.42677	1.1
99.05632	2.1
101.02421	13.0
101.07179	17.1
109.04054	39.7
125.03550	11.7
127.00355	7.3
127.02299	1.9
127.05114	100.0
128.03516	39.9
145.01399	2.3
145.06166	78.7
145.09795	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	145.0869
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
50.06123	0.5
51.32156	0.3
57.03043	0.4
57.83813	0.4
58.69747	0.4
70.98178	0.4
88.11005	0.4
97.06577	0.7
97.21581	0.4
99.08147	100.0
117.03429	2.6
127.07629	2.4
143.07069	1.6
145.02927	2.3
145.08696	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0504
Annotation	3-Hydroxy-5-oxohexanoate
Peak:m/z	Relative Intensity
51.78965	1.0
57.03446	74.5
59.01382	17.6
59.35787	1.0
71.01374	20.5
71.05009	26.4
72.02113	1.2
73.02932	14.7
81.03453	2.6
83.01366	4.7
83.05013	41.0
85.02930	12.1
99.04498	25.2
100.19650	1.2
101.02435	16.2
101.06071	58.0
109.02921	4.2
127.03989	67.3
145.05052	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	145.0617
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
50.93791	1.1
58.02966	6.0
58.54579	1.1
67.02997	2.1
71.01376	1.2
72.00900	4.8
74.02463	12.9
78.61714	1.1
78.62469	1.1
82.02961	5.1
84.04531	30.7
86.02451	1.9
92.64705	1.1
97.04057	1.3
98.02467	2.6
99.05621	7.2
101.02425	6.2
101.07194	19.6
107.02495	1.7
109.04053	47.3
125.03558	13.1
125.04369	1.5
127.05119	100.0
128.03525	41.2
145.06174	74.2
145.09825	8.8
145.82137	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	145.0505
Annotation	3-Hydroxy-5-oxohexanoate
Peak:m/z	Relative Intensity
51.92084	0.9
52.56837	1.0
57.03447	92.3
59.01379	13.5
59.58140	0.9
65.87583	1.0
71.01368	29.1
71.05010	28.1
72.02171	1.8
73.02938	22.2
73.43621	1.0
77.18562	1.1
81.03446	2.5
83.01363	2.8
83.05016	43.5
83.61205	1.2
84.04494	1.4
84.90400	1.1
85.02932	12.9
91.99712	1.1
99.04507	27.9
101.02428	58.8
101.06071	61.0
102.03557	1.1
109.02945	7.4
109.04080	1.4
115.00289	2.1
119.23013	1.1
127.03999	67.4
127.04965	2.7
128.58672	1.1
139.53197	1.3
145.01427	5.2
145.05063	100.0
145.06062	4.3
148.56358	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	145.0294
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.14038	0.6
53.50553	0.6
60.30499	0.8
90.22931	0.7
99.08167	1.2
101.06048	1.3
117.03452	100.0
129.86638	0.8
136.61797	0.7
141.94612	0.7
145.02945	94.3
145.06607	4.4
145.08691	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	145.0294
Annotation	Coumarin
Peak:m/z	Relative Intensity
50.02427	0.6
54.58402	0.7
56.72018	0.7
60.58231	1.0
69.31615	0.7
69.92313	0.8
70.33883	0.8
82.14289	0.8
96.14333	0.9
99.00864	3.5
99.08117	3.1
101.06053	1.6
117.03449	100.0
143.04988	1.2
145.02942	92.4
145.06560	9.1
145.08588	1.3
145.14590	0.9
146.29567	0.9
163.06729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0141
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
51.15439	1.0
57.03442	23.1
58.02964	6.6
71.01363	2.0
72.00891	1.8
72.85078	1.1
72.99287	1.6
73.02932	12.9
74.02452	13.3
82.02955	2.1
83.01375	16.5
83.21135	1.1
84.04541	24.3
86.02467	5.4
97.04093	1.8
98.02451	2.0
99.05626	5.3
101.02428	100.0
101.07191	13.6
104.78211	1.4
109.03377	2.1
109.04061	38.5
123.03195	1.4
125.03542	8.5
127.00353	17.2
127.05117	80.5
128.03528	36.0
145.01451	13.0
145.06171	70.5
145.09854	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0142
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
57.03180	2.2
57.03447	54.4
58.67090	1.1
59.01373	8.6
71.01366	13.7
71.05000	12.8
73.02934	24.1
77.72121	1.3
83.01378	5.2
83.05014	16.5
84.04550	5.0
85.02946	5.2
86.50012	1.4
92.20010	2.6
99.04507	10.8
101.02431	100.0
101.06073	25.7
109.02946	4.9
109.04044	6.5
110.06086	1.2
116.83982	1.2
117.46464	1.4
127.03991	26.1
127.05081	10.2
128.03497	3.0
133.92552	1.2
145.01430	8.6
145.03996	2.7
145.05051	41.2
145.06198	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	144.0455
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
112.06209	0.2
116.05064	0.2
120.65250	0.2
126.03446	0.3
137.59436	0.2
137.74261	0.2
144.04543	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	1431.5757
Annotation	Unknow
Peak:m/z	Relative Intensity
109.19357	0.6
151.04047	1.0
153.05634	0.5
161.02441	3.1
169.43500	0.6
237.07672	0.6
285.16077	41.1
286.16302	3.4
299.09326	2.7
300.38086	0.8
311.09311	1.2
313.10736	2.3
314.11609	1.3
325.10760	2.6
326.11588	2.5
329.13843	0.9
339.08484	1.0
340.09177	1.2
341.10284	10.1
341.14066	1.0
341.90793	0.6
342.10709	0.8
352.09412	0.9
353.10181	2.9
354.11105	1.0
355.08243	8.2
358.10590	25.2
359.10968	2.9
370.10550	48.2
371.11014	6.4
372.11621	2.1
373.12918	100.0
374.13278	8.9
375.13464	1.0
381.26099	0.6
383.11566	0.7
384.11945	1.0
385.12918	42.4
386.13193	3.3
387.14093	1.2
403.13931	3.6
484.35034	0.6
565.19250	54.8
566.19537	7.5
567.19812	2.9
703.32733	0.9
863.36115	0.7
864.35754	1.4
865.37567	46.4
866.37634	4.5
867.37823	4.7
1018.63831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1076
Annotation	Valproic Acid
Peak:m/z	Relative Intensity
59.01367	1.7
61.01789	1.7
66.75462	0.7
70.95871	0.9
71.01375	4.6
81.59146	0.9
85.02951	3.6
85.68208	0.9
87.04577	0.9
99.04508	1.4
100.92574	2.0
105.26419	1.0
113.02396	1.1
116.23734	1.0
125.02383	1.6
143.03555	6.1
143.07095	4.1
143.10762	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	143.0712
Annotation	SCHEMBL9008708
Peak:m/z	Relative Intensity
56.80218	1.5
67.34069	1.5
71.01362	1.9
72.99298	37.0
85.02943	1.6
87.05571	1.9
97.06583	42.0
115.15971	1.8
125.06068	100.0
128.42944	1.9
131.46289	1.8
132.91675	1.7
143.03525	3.5
143.07123	80.1
153.26845	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	143.1077
Annotation	Valproic Acid
Peak:m/z	Relative Intensity
50.26274	0.6
56.85207	0.6
57.36288	0.6
71.01385	1.0
72.51315	0.7
85.02934	0.7
85.58758	0.6
99.78229	0.7
100.92591	1.1
143.03564	1.0
143.10765	100.0
156.33269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0712
Annotation	7-Oxoheptanoic acid
Peak:m/z	Relative Intensity
71.01355	5.5
71.05006	3.6
73.75053	2.9
79.76005	3.1
82.46361	2.6
85.02927	4.4
90.17410	3.2
92.19926	6.3
111.32724	3.4
115.07587	4.3
125.06094	5.7
130.00888	3.1
143.03557	5.4
143.07115	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	143.0713
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
53.50658	0.9
55.01860	1.6
55.92498	0.9
57.03448	2.1
59.01369	2.7
66.99817	1.2
67.01871	5.2
69.03434	5.1
70.99602	1.2
71.01371	11.1
71.05019	1.4
73.02926	1.9
81.03455	2.2
82.14570	1.0
85.02923	6.9
86.98117	1.1
89.49490	1.1
95.05003	2.6
96.99297	1.3
97.02951	1.5
97.06579	22.2
99.04504	100.0
99.08131	8.9
100.22789	1.2
111.00871	17.9
115.03961	2.4
124.98804	14.3
125.02419	4.6
125.06070	8.1
142.99837	5.4
143.03488	19.4
143.07120	32.9
143.10724	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	143.0501
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
51.11652	0.2
55.01854	0.3
55.03129	0.3
57.16933	0.2
67.95854	0.2
71.01360	1.5
76.60602	0.3
81.86122	0.3
83.01374	0.3
85.02955	0.6
87.04532	0.3
87.17493	0.3
90.29768	0.3
93.96997	0.3
97.02925	0.4
97.06570	0.3
99.04483	0.3
99.08131	1.3
113.02436	0.3
114.70618	0.3
115.04006	0.3
115.05510	0.3
124.98767	0.5
125.02455	0.4
143.05009	100.0
143.10712	1.6
148.85487	0.3
151.82104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0712
Annotation	(3R,4S)-3-[(1R)-1-hydroxyethyl]-4-methyldihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
51.44334	2.5
67.71636	2.5
69.03456	5.0
70.02810	2.8
70.13888	2.7
70.52912	2.8
71.01376	4.1
71.05016	4.3
72.51733	3.0
85.02946	3.7
95.05003	6.2
97.06574	55.5
99.04507	89.8
99.08147	22.7
111.00835	13.0
115.04044	4.2
124.98792	4.8
125.06056	35.7
143.03452	15.4
143.07120	100.0
143.10814	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	143.0348
Annotation	Triacetate
Peak:m/z	Relative Intensity
58.00572	0.7
59.01373	1.1
65.24074	0.5
67.01888	2.9
71.01359	2.6
71.05006	2.3
73.28603	0.5
76.41315	0.5
79.95737	4.6
81.03453	2.6
85.02952	1.3
97.06617	1.1
99.04506	100.0
111.00860	7.4
115.04012	3.9
120.15063	0.5
122.21227	0.5
124.98795	3.1
125.02398	2.3
142.98056	3.4
142.99843	0.9
143.03481	16.2
143.07127	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	143.0348
Annotation	Triacetate
Peak:m/z	Relative Intensity
71.01368	0.5
71.05012	1.1
81.03457	2.1
81.74329	0.3
99.04502	100.0
111.00875	0.6
115.03963	2.8
125.02453	0.6
143.03485	13.1
158.49504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0921
Annotation	2-Octenoic acid
Peak:m/z	Relative Intensity
55.51943	0.9
58.89126	1.1
59.01379	10.2
60.16924	0.9
69.03438	1.5
77.60747	1.2
85.02911	1.3
87.63034	1.0
87.65829	1.0
95.01375	2.8
111.00834	1.5
123.08153	1.4
135.12263	1.2
141.01892	1.9
141.09212	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	141.0921
Annotation	2-Octenoic acid
Peak:m/z	Relative Intensity
53.98417	1.1
59.01375	21.1
59.25224	1.1
67.89165	1.2
71.01372	6.9
71.04022	1.3
89.94829	1.2
120.95112	1.3
123.08182	6.5
141.01866	1.5
141.09210	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	142.0661
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
56.62636	0.4
59.60004	0.5
91.27624	0.5
142.06607	100.0
142.34512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.092
Annotation	2-Octenoic acid
Peak:m/z	Relative Intensity
52.04491	0.8
54.30954	0.8
59.01368	6.4
59.59358	0.7
70.33427	0.9
75.96558	0.8
77.15476	0.9
85.38548	1.1
85.55286	0.8
98.53523	1.1
132.29762	0.9
137.21338	0.9
139.80450	1.0
141.09203	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	141.092
Annotation	(Z)-3-Hexen-1-ol acetate
Peak:m/z	Relative Intensity
52.58537	1.1
54.97021	1.2
55.01869	3.0
59.01378	100.0
70.42039	1.4
76.33239	1.2
78.36357	1.3
81.23153	1.2
83.01386	2.7
85.02923	2.8
89.18055	1.2
92.20045	2.7
95.01391	3.2
102.38236	1.3
111.00865	6.5
112.78452	1.3
141.01933	7.5
141.05574	2.2
141.09212	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
59.01382	11.5
69.03448	1.9
85.02922	2.4
95.04974	1.4
111.00891	5.5
113.02424	1.7
137.34209	1.6
141.01921	6.6
141.09209	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	141.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76831	1.3
55.01888	1.9
55.80107	1.4
59.01371	3.3
69.03436	1.9
69.49110	1.3
76.65572	1.6
80.10951	1.4
83.01318	1.5
95.01368	3.2
111.00848	7.7
122.28903	1.3
124.11215	1.4
125.00298	1.9
141.01945	2.6
141.09206	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	139.1129
Annotation	(2-exo,3-endo)-2,3-dimethyl-Bicyclo[2.2.1]heptan-2-ol
Peak:m/z	Relative Intensity
57.65182	2.3
59.82419	2.3
67.01884	26.9
69.03448	6.0
72.76599	2.7
79.19529	2.9
80.65273	3.0
83.01411	5.3
83.05016	3.5
85.06574	18.6
86.01178	2.5
90.35337	2.8
92.19975	8.2
94.24627	2.6
94.98077	2.9
95.01375	17.0
95.05005	4.0
95.95869	2.7
97.06589	32.3
109.12465	3.2
111.00851	5.7
123.08148	17.5
137.09616	3.0
138.86002	12.1
138.88965	3.7
139.00377	5.6
139.04005	11.2
139.11290	100.0
144.94543	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	1400.7696
Annotation	Unknow
Peak:m/z	Relative Intensity
101.00146	0.5
108.04550	1.2
112.67647	0.5
116.05019	1.0
116.92827	2.7
118.06612	27.9
130.06578	0.7
142.06665	0.6
145.18559	0.5
147.04517	12.0
156.08157	2.3
158.09740	6.8
164.07167	6.0
167.08685	0.5
187.12274	0.9
200.10817	5.4
210.12929	0.9
212.14415	2.6
244.09734	2.8
246.11435	1.0
255.15842	0.5
255.18622	4.0
283.18036	0.7
298.19345	3.8
365.89368	0.6
388.23853	1.7
402.25592	3.4
418.21637	2.3
432.22922	10.0
446.24512	100.0
506.26428	5.6
893.49695	29.4
912.84351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71906	0.3
65.03967	0.3
67.01910	0.2
68.41127	0.2
73.44637	0.3
74.99088	3.6
93.03444	100.0
93.04536	9.8
94.28886	0.3
109.02966	2.1
122.03677	0.3
125.35929	0.3
137.02444	21.5
137.03499	1.9
137.06076	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	138.0194
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
51.68474	0.2
52.38693	0.2
72.04058	0.3
74.63898	0.2
91.19071	0.3
92.97358	0.3
93.03438	0.5
94.03773	3.2
94.04926	0.5
107.41746	0.3
108.02156	27.3
109.01759	0.3
138.01953	100.0
139.38373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31431	0.2
63.21628	0.2
65.03967	1.4
74.99091	0.3
84.96760	0.2
90.65454	0.2
92.42352	0.2
93.03439	100.0
93.04556	5.3
109.02900	0.2
128.75562	0.2
137.02435	17.8
137.03488	1.3
137.05980	0.2
152.16986	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0242
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
52.14115	0.2
54.03732	0.2
61.10054	0.2
65.03967	1.7
83.06510	0.2
93.03442	100.0
93.04597	2.4
107.64772	0.2
112.71497	0.2
133.44199	0.2
137.02438	15.5
137.03502	0.5
149.15224	0.2
149.59235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0243
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.16219	0.2
66.98859	0.2
72.42463	0.2
81.03448	1.2
88.37633	0.2
93.03440	16.4
108.02168	1.2
109.02926	1.7
119.01342	0.5
130.84808	0.3
136.01622	3.0
137.02431	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	137.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87215	0.1
59.61112	0.1
65.03942	0.3
83.46954	0.1
93.03443	100.0
109.02962	0.2
113.52260	0.2
136.86235	1.4
137.02434	33.3
144.03064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0243
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
65.03966	0.2
78.65405	0.1
93.03441	100.0
135.00894	0.2
137.02431	33.7
153.46883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66178	0.2
54.58448	0.2
58.19530	0.1
62.25689	0.2
65.03981	0.3
65.75826	0.2
92.19392	0.2
93.03439	100.0
100.37792	0.2
134.57880	0.2
136.86247	0.4
137.02429	34.2
155.62701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0243
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
56.73396	0.2
56.73847	0.3
65.03952	0.4
93.03443	100.0
137.02437	30.7
149.77057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1366.9101
Annotation	Unknow
Peak:m/z	Relative Intensity
97.90765	0.7
118.06561	1.5
121.45051	0.8
121.86495	0.8
137.09004	0.7
147.04514	5.0
164.07137	7.6
183.59451	0.8
200.10977	1.0
201.10387	1.5
222.33954	0.9
227.11890	1.0
244.09796	1.4
245.10521	6.8
271.18185	1.4
314.18759	4.5
418.24786	1.3
447.16989	0.8
447.21643	50.4
462.24005	100.0
493.98309	0.8
614.74127	0.9
823.00732	0.9
900.76642	1.0
1351.89087	8.9
1366.91223	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90450	0.7
53.08659	0.8
65.03961	0.8
91.01872	5.6
92.19338	1.8
93.03433	18.9
118.02129	1.9
118.02972	51.0
136.04025	100.0
139.92419	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	136.0403
Annotation	Salicylamide
Peak:m/z	Relative Intensity
56.95215	0.8
61.80660	0.9
61.83713	0.7
80.28694	0.9
82.25037	0.7
91.01886	4.2
92.05040	1.4
93.03436	23.4
96.56725	0.8
108.04515	0.8
111.78268	0.8
118.02969	44.7
125.89635	0.9
136.04019	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	136.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86877	0.6
57.23108	0.7
58.74571	0.8
66.19859	0.7
67.05570	0.7
77.48217	0.8
91.01893	4.8
93.03444	20.5
102.20346	0.9
103.78877	0.9
114.20613	0.7
118.02136	1.8
118.02979	46.8
136.04028	100.0
136.07677	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	1358.7595
Annotation	Unknow
Peak:m/z	Relative Intensity
97.05240	0.2
108.04533	0.6
118.06613	4.8
145.40213	0.3
147.04507	12.6
158.09726	0.4
164.07155	26.2
169.10155	0.3
200.10768	2.1
219.15033	7.8
245.10594	1.9
288.20798	0.4
392.27011	0.7
402.25427	0.3
418.21329	0.3
420.26593	1.2
432.22867	1.6
446.24243	2.3
464.25525	100.0
495.97580	0.3
692.84961	0.4
744.90643	0.3
911.50574	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	136.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25705	1.5
58.87999	1.6
71.16659	1.5
73.85939	1.6
92.02658	11.1
92.05034	6.7
95.01367	4.0
98.09003	1.8
108.02168	54.5
108.04532	6.6
125.29287	1.7
133.77771	2.2
135.97183	1.9
136.01656	100.0
136.04012	11.1
136.04942	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	135.0451
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
54.21583	0.7
59.77469	0.7
62.42039	0.6
75.00872	3.0
91.54559	0.7
107.04990	4.1
113.88594	0.8
117.00782	1.6
134.03723	4.0
134.86540	7.4
135.04517	100.0
148.41542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
92.02641	2.0
93.03450	20.3
95.01350	0.3
108.02159	4.3
116.81591	0.3
120.02168	3.4
134.86537	6.8
135.04520	100.0
151.04533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54473	0.2
58.83153	0.2
59.01388	0.4
61.09646	0.2
67.26907	0.2
71.01370	0.3
73.93112	0.3
75.00857	3.6
77.62263	0.2
83.17410	0.2
87.31296	0.2
89.02441	0.3
92.02663	1.6
93.03432	15.7
106.04213	0.5
107.05002	1.5
108.02160	4.4
117.00767	0.4
119.22528	0.2
120.02120	2.0
131.17773	0.3
134.03693	0.5
134.86542	2.1
135.04503	100.0
136.94292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01452	0.3
71.18469	0.2
87.86567	0.2
92.02515	2.4
104.48769	0.2
107.03617	12.6
107.78038	0.2
116.00668	0.5
134.04706	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	134.0472
Annotation	Adenine
Peak:m/z	Relative Intensity
65.01413	0.3
65.18806	0.3
71.01404	0.5
72.01704	2.0
72.99274	0.4
92.02534	3.0
107.03625	13.8
116.00692	5.0
119.79528	0.3
122.51546	0.3
134.01772	1.4
134.04716	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	133.0293
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.15907	0.7
51.57600	0.7
55.01873	1.7
59.01386	1.0
60.59771	0.8
71.01372	49.2
72.99300	10.0
79.21532	0.8
84.15183	0.9
87.03210	0.7
89.02431	6.8
89.29233	0.8
105.03437	1.2
115.00352	97.4
132.02165	6.3
132.86781	19.4
133.01405	33.2
133.02934	100.0
133.06523	6.2
146.61319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0657
Annotation	Chavicol
Peak:m/z	Relative Intensity
50.96465	0.6
63.97326	0.6
64.06738	0.6
71.01372	17.3
72.99294	1.4
89.02430	2.9
93.78462	0.6
114.96886	0.8
115.00351	27.9
123.04486	1.0
131.04968	1.6
132.05801	7.5
133.01402	8.8
133.06578	100.0
145.93083	0.9
154.53763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0141
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01370	0.8
61.69103	0.2
62.46140	0.2
69.56585	0.2
71.01373	45.8
72.99298	10.3
87.00851	1.2
89.02428	7.3
97.85661	0.2
115.00355	100.0
132.86774	5.0
133.01418	28.7
133.04999	0.2
136.08524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0141
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01387	0.4
71.01373	47.4
72.99298	10.1
73.07349	0.3
87.00868	1.2
89.02432	6.2
89.97762	0.3
115.00352	100.0
123.67805	0.3
132.86757	3.4
133.01419	30.8
133.05022	0.3
133.06593	1.5
147.57703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57728	0.4
55.20389	0.4
59.34764	0.4
60.97530	2.2
65.19374	0.4
67.18436	0.5
70.06596	2.0
74.20419	0.5
79.68083	0.4
88.04053	0.8
104.04695	0.7
104.05386	17.9
132.04874	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	133.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
69.52579	0.3
71.01373	46.3
72.99298	10.4
83.49780	0.3
87.00867	0.6
89.02429	6.9
102.83195	0.3
104.01944	0.3
106.92741	0.3
115.00354	100.0
133.01418	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	133.0141
Annotation	Malic acid
Peak:m/z	Relative Intensity
51.05274	0.2
53.92326	0.2
59.01366	0.4
66.30796	0.3
71.01375	49.5
72.99302	9.5
76.70757	0.4
87.00856	1.2
89.02429	7.8
91.57790	0.3
97.16559	0.3
110.02162	0.3
115.00356	100.0
133.01424	29.8
133.02252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60323	0.2
59.01380	0.6
67.07385	0.2
71.01373	47.4
72.98899	0.6
72.99297	9.0
77.67700	0.3
87.00858	0.6
89.02433	6.8
115.00356	100.0
123.34118	0.3
133.01421	31.1
138.37973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15607	0.2
51.17053	0.2
55.72563	0.2
57.70621	0.2
59.01363	0.5
59.67839	0.2
63.51376	0.2
71.01369	46.2
72.99294	10.5
87.00864	1.3
89.02428	6.9
104.37527	0.2
115.00352	100.0
125.38982	0.2
132.86792	4.9
133.01413	31.5
133.05069	0.4
133.06567	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	132.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99966	0.3
54.06199	0.3
56.83534	0.3
57.87672	0.4
60.97522	2.3
61.82370	0.3
62.78286	0.3
67.27686	0.3
70.06599	1.9
85.36281	0.4
88.04031	0.7
104.05393	16.6
111.44928	0.4
112.74706	0.4
132.04869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0487
Annotation	4-Methylthiobutanaldoxime
Peak:m/z	Relative Intensity
52.78057	0.5
56.37337	0.4
58.07470	0.4
60.97528	2.4
70.06610	2.1
79.87679	0.4
104.05389	16.5
119.21925	0.4
121.50538	0.5
123.72046	0.6
132.04878	100.0
134.63231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1315.7117
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05529	3.1
96.04520	1.8
99.39522	0.4
101.02403	0.8
108.04537	0.7
111.80154	0.3
113.02475	0.6
118.06604	17.8
129.74202	0.4
137.07191	0.7
147.04514	8.6
156.08148	0.6
157.10037	0.4
158.09760	3.9
161.04504	1.9
164.07172	4.5
186.09148	0.4
187.12376	2.5
200.10780	3.9
212.14413	2.3
242.03484	0.4
244.09753	2.5
246.11282	1.5
255.18655	2.3
298.19150	2.0
338.73911	0.4
402.25510	1.7
418.21344	2.1
446.24490	30.5
626.31616	0.4
650.93567	0.4
733.43616	0.4
868.45996	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	1311.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01375	0.3
99.00843	0.3
101.02424	7.5
112.01564	0.4
113.02432	3.8
119.03481	3.3
125.02423	0.4
131.03471	2.3
143.03491	0.3
161.04530	3.3
162.94540	0.3
172.79254	0.3
179.05576	1.6
200.79251	0.2
221.06628	3.4
271.92575	0.3
353.24750	0.3
421.31110	1.9
439.32162	6.8
457.33347	2.0
465.30051	0.4
483.31174	4.4
501.32324	0.6
601.37732	0.4
627.34869	0.4
645.36249	3.2
663.37671	5.0
687.37585	0.3
781.44690	1.1
807.41760	1.1
825.42743	14.1
867.44037	1.1
1267.51733	0.4
1311.58521	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	131.0712
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
51.67554	0.2
55.97670	0.3
59.01372	0.3
61.82606	0.3
62.84378	0.2
66.77161	0.2
73.02933	1.3
74.00774	0.3
75.00840	0.3
83.05022	0.7
85.02937	1.0
85.06576	100.0
87.00826	0.3
87.04485	0.3
113.06052	1.3
113.34888	0.3
129.05534	1.6
131.07124	71.7
139.92297	0.3
140.98898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0712
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
54.01129	0.4
54.11453	0.3
63.91024	0.4
69.03455	0.4
70.60182	0.3
71.01377	0.4
73.02963	0.4
83.05031	0.5
85.02926	0.7
85.06576	100.0
87.04520	0.5
98.83109	0.4
113.06071	0.5
129.05557	1.0
131.07124	79.5
142.87813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0871
Annotation	L-Leucine
Peak:m/z	Relative Intensity
51.86481	0.6
59.54876	0.7
66.92554	0.7
68.60545	0.7
87.91351	0.8
88.04044	1.7
123.02464	1.1
130.04117	1.0
130.08720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33242	0.2
56.60737	0.3
62.50865	0.3
78.68339	0.3
80.54230	0.3
82.06603	0.3
84.08177	0.5
97.21595	0.3
110.86050	0.3
130.08719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0556
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
53.15694	2.5
56.00113	2.9
57.03449	5.9
59.01372	15.1
71.87033	2.7
78.98977	3.0
83.05008	15.3
85.02929	75.5
85.06558	13.8
108.63552	3.5
111.04458	3.5
129.01981	4.5
129.05554	100.0
142.92468	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	129.0556
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
71.85378	3.4
83.05019	8.0
85.02938	97.7
85.06566	25.1
87.88479	3.8
111.04491	4.7
112.56192	3.3
125.02084	3.2
129.01881	5.1
129.05565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0556
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
57.03185	5.1
57.03449	100.0
59.01379	3.2
59.41371	2.8
68.99809	3.3
80.86674	2.9
81.03441	3.2
83.05018	69.7
85.02944	71.8
85.06577	62.4
90.38600	2.8
111.04498	16.1
116.15897	2.7
129.01929	12.7
129.05559	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0556
Annotation	2-Ketohexanoic acid
Peak:m/z	Relative Intensity
57.03432	9.5
59.01377	13.9
62.86661	2.2
64.58999	1.9
72.82718	2.1
74.37971	2.2
75.02744	2.3
83.05029	4.0
85.02932	42.4
85.06577	9.9
101.06075	3.8
111.04497	3.3
118.78214	2.0
129.01962	3.5
129.05563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0556
Annotation	3-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
51.63684	0.5
55.83433	0.6
57.03448	1.2
61.08721	0.6
63.11813	0.6
63.19205	0.6
67.48094	0.6
72.91036	0.6
74.04076	0.7
83.05018	8.9
85.02939	0.7
85.06577	100.0
92.84751	0.7
111.04502	26.5
129.05568	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0192
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
57.03455	1.9
59.01350	0.5
71.01366	0.6
73.02979	0.5
73.11794	0.5
83.05044	0.6
85.02941	100.0
85.06573	0.6
88.51037	0.6
129.01949	10.3
129.05547	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	129.0557
Annotation	2-Ketohexanoic acid
Peak:m/z	Relative Intensity
52.33196	2.8
55.56827	3.0
57.03429	3.3
57.74995	2.9
58.50406	3.2
66.68501	3.3
69.69441	3.0
70.24030	2.9
79.41251	3.4
81.34764	3.3
83.05025	6.2
85.02921	32.4
85.06566	27.4
94.01782	3.7
129.01918	4.7
129.05562	100.0
146.37584	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	128.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02963	2.7
82.27942	0.3
84.04546	1.3
88.42208	0.3
95.78483	0.3
105.12569	0.3
115.24466	0.3
128.03523	100.0
129.35609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97129	0.8
57.03444	3.9
67.01888	1.2
69.69320	0.7
85.02937	100.0
116.49065	0.6
119.01078	0.7
124.70230	0.9
129.01894	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	129.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35649	0.4
55.01881	0.6
57.03447	4.3
60.28261	0.5
61.88837	0.5
67.01871	0.7
80.65901	0.5
85.02940	100.0
101.02391	0.9
125.75005	0.5
128.37785	0.5
129.01929	9.0
129.03874	5.7
129.05536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08735	0.2
82.02981	1.7
84.04562	1.0
85.02908	0.3
88.64062	0.3
111.80865	0.3
128.03529	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	1277.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02439	3.0
92.19424	1.4
99.90822	0.6
101.02431	5.9
113.02427	5.0
117.29825	0.7
119.03458	3.3
125.02428	1.0
131.03497	2.9
141.91731	0.7
143.03510	1.2
144.19319	0.7
161.04515	3.1
179.05531	0.7
188.17424	0.7
190.15071	0.7
221.06621	1.5
253.09288	0.7
286.42798	0.7
350.63480	0.9
356.26718	0.8
421.31039	1.2
439.32126	13.3
457.33157	1.7
483.31363	2.8
484.65390	0.7
601.37311	3.1
643.37970	0.8
645.36401	1.3
663.37994	1.6
687.37097	6.2
705.38684	5.2
714.01703	0.8
747.39038	2.7
1091.43579	1.0
1176.81213	0.7
1233.55396	100.0
1250.18872	0.8
1277.56726	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	1271.6544
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96939	1.2
101.84864	1.1
104.31499	1.0
104.77496	1.0
122.97942	1.1
137.01428	1.0
152.99576	60.4
163.54706	1.4
165.45285	1.0
171.00563	4.3
176.47208	1.1
223.00078	11.0
232.02547	1.1
241.01175	21.3
279.23282	80.6
281.58453	1.3
315.04843	6.8
413.56152	1.1
590.40753	1.1
595.28900	100.0
794.06696	1.3
860.61401	1.2
1145.22620	1.2
1193.62195	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	1275.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
112.04047	1.2
129.05498	1.0
134.91438	0.8
135.91805	0.7
148.04013	12.7
150.05569	6.4
160.03992	1.6
161.04810	24.3
162.05595	1.0
173.03522	1.5
174.04303	1.0
175.05095	31.8
175.06299	1.3
176.05817	1.1
185.57138	0.9
187.06378	1.1
190.07439	0.9
191.08267	1.3
201.07779	1.0
202.03810	1.2
202.08864	5.4
203.04581	9.2
204.06593	0.8
215.08206	1.0
216.06566	3.9
217.07387	1.7
219.11197	0.8
229.07375	1.0
231.07745	1.8
232.08546	7.9
233.09285	33.0
243.11517	1.1
244.09789	55.3
245.09337	5.7
284.88644	0.9
286.09583	4.0
287.10339	7.7
287.13480	1.5
288.08716	1.8
295.10818	1.6
305.11511	5.6
312.13364	1.3
338.11484	1.6
370.17627	4.3
400.18420	0.8
427.24130	0.8
468.17661	22.7
472.21033	1.3
487.06091	0.8
605.26117	20.8
635.27246	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	1269.721
Annotation	Unknow
Peak:m/z	Relative Intensity
99.00838	3.3
101.02433	20.6
104.34898	0.9
113.02427	10.7
119.05000	3.3
120.75335	0.8
133.05321	3.9
134.06091	11.9
137.07245	0.9
142.24298	0.8
143.03517	1.4
153.06630	1.4
156.07187	0.7
159.02957	4.0
160.04031	7.7
161.04530	11.2
196.34302	0.9
221.64879	0.9
223.14539	14.0
230.11824	17.7
233.12927	1.5
245.12900	3.4
247.14482	31.6
273.12436	22.8
275.21234	7.6
291.14835	1.0
291.18097	25.3
291.21161	1.6
293.22253	1.4
333.19177	100.0
342.14478	7.7
358.21390	7.1
368.19772	37.0
377.18140	3.9
385.20029	6.9
454.27167	25.8
499.32916	63.7
573.36560	56.2
712.71851	1.0
788.47217	3.3
805.53271	4.9
839.73657	1.0
847.54309	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	1265.6901
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02424	16.0
95.01347	1.5
101.02423	34.4
113.02421	19.9
119.03481	13.7
119.04971	2.3
121.02921	0.4
123.09253	0.4
125.02416	1.7
131.03510	4.3
133.05318	7.0
134.06100	18.3
137.07158	1.5
139.08731	1.8
140.07121	0.5
143.03488	4.5
147.02991	0.4
149.04527	10.9
153.06654	2.5
155.03462	0.4
155.08246	0.5
157.13440	2.7
160.04013	10.2
161.04529	18.8
167.08228	0.6
175.08722	0.4
178.11098	0.4
179.05554	2.8
180.13991	0.5
181.09683	0.4
185.04735	0.5
195.15097	0.6
196.84705	0.4
203.05606	2.1
205.13490	0.9
206.11844	0.7
207.14999	0.4
208.13411	0.7
218.14200	0.5
221.06633	23.9
221.12921	1.5
222.13791	0.5
223.14510	17.8
228.10275	1.4
230.11835	23.8
233.12877	2.8
235.47281	0.4
245.12946	4.1
247.14493	54.9
250.21667	2.1
251.17725	0.5
254.10512	2.4
257.13016	1.8
273.12439	34.9
273.19751	1.5
275.21277	10.5
289.16553	4.2
293.22223	3.0
317.18668	0.8
319.20319	2.1
320.27130	1.6
325.19247	1.4
331.17609	95.8
332.99683	0.4
340.20398	0.7
341.18466	3.0
342.14603	13.5
351.17163	1.8
358.16815	0.6
358.21356	15.5
364.26019	0.5
368.19781	60.0
375.16608	2.9
385.20081	9.8
386.20767	1.7
452.25803	1.4
454.27127	44.3
455.28391	0.6
499.32889	100.0
514.29626	1.3
573.36566	92.3
786.45490	5.7
803.51563	7.3
845.52924	17.4
944.89545	0.5
1018.34692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0971
Annotation	1,5Z-Octadien-3S-ol
Peak:m/z	Relative Intensity
53.03034	4.0
57.03454	16.0
69.03452	6.6
73.65172	4.1
80.02693	4.9
88.04012	3.9
95.04984	4.9
97.02945	5.2
97.06579	74.9
104.05868	4.6
110.84592	3.8
123.08141	47.7
125.02432	72.6
125.09707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0971
Annotation	Sulcatone
Peak:m/z	Relative Intensity
57.03444	3.7
67.91137	0.8
69.03442	4.1
109.06593	1.3
125.02418	11.1
125.09708	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	1264.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
92.76311	0.5
97.02906	5.1
122.09733	0.6
125.06059	21.3
125.53411	0.6
137.06064	0.7
142.06268	2.0
147.09207	0.5
149.01399	0.6
149.06073	2.1
164.11891	5.4
166.08690	7.8
169.05061	7.1
169.09418	0.5
208.10904	84.5
211.30524	0.5
252.09874	100.0
505.20541	74.7
695.85297	0.7
758.17365	1.2
758.31104	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	125.0242
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
55.01878	2.2
67.01883	11.0
68.99805	2.1
69.03448	2.8
69.35001	1.2
73.77348	1.1
78.95894	7.1
79.31919	1.0
81.03445	69.8
91.17569	1.1
97.02927	2.2
98.06753	1.1
111.74101	1.2
125.02419	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	124.0164
Annotation	2-Aminoethylphosphonate
Peak:m/z	Relative Intensity
56.93832	0.4
66.03455	0.5
71.60641	0.3
89.60726	0.4
94.02986	2.9
95.01374	2.5
96.01708	0.9
105.55058	0.4
122.99940	0.5
123.00866	36.1
124.01639	100.0
124.04012	4.1
124.04847	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	1249.7701
Annotation	Unknow
Peak:m/z	Relative Intensity
112.07683	3.4
130.08701	4.9
169.94597	2.0
225.16092	13.4
241.05023	13.9
253.04982	4.8
256.07434	14.4
268.07343	2.7
271.09738	3.0
285.04010	2.7
296.06824	11.9
297.04117	16.4
300.06357	23.5
312.06320	30.6
315.08734	50.5
327.08597	18.7
345.09442	2.3
532.41528	2.3
582.88031	2.7
706.34558	2.4
748.88397	3.0
903.66296	100.0
929.45734	2.4
1249.47998	4.2
1249.76782	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1239.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03413	0.5
95.01322	0.4
114.37142	0.4
121.02956	2.3
122.03706	0.7
123.00125	0.4
123.00864	2.8
128.04861	0.5
138.03229	3.6
149.02455	1.5
149.88458	0.4
150.03207	15.9
151.04002	2.3
153.05544	7.6
164.04796	1.5
165.05550	55.2
166.99782	2.5
180.04303	2.8
181.01387	0.4
181.05077	0.8
182.02203	27.5
195.06615	19.6
196.03830	0.5
197.04549	62.3
211.06075	0.4
224.03181	1.5
232.12029	0.4
239.05537	4.3
251.19655	0.4
254.05801	0.4
284.65652	0.4
286.08334	2.8
301.10941	3.7
345.09906	4.9
393.11844	7.3
429.74182	0.4
451.57440	0.4
528.01819	0.4
555.17194	100.0
768.11023	0.4
853.35577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1233.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
119.62204	0.7
124.07736	0.7
136.07686	1.3
136.73033	0.7
140.16006	0.8
154.08733	14.4
173.10706	0.7
180.06616	2.9
199.08774	5.3
213.13948	3.2
225.10196	1.2
239.11879	43.2
240.12190	1.6
308.17569	8.1
319.18332	0.8
320.13324	0.6
320.17618	1.0
323.08051	0.8
333.14825	4.2
336.20874	5.1
341.10605	0.8
360.16934	1.0
362.18741	81.3
363.19504	5.7
364.19562	1.2
371.14981	1.0
380.19788	36.5
381.20029	3.7
392.19540	0.8
406.17685	1.6
424.18753	0.8
561.27081	0.8
605.26343	6.5
606.26563	0.9
635.27228	100.0
636.27478	8.2
637.28119	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	123.0814
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
52.21763	1.4
62.09430	1.3
67.05521	2.0
69.03445	3.4
73.69796	1.4
80.02670	3.2
83.15382	1.2
91.47517	1.4
95.05016	11.5
98.28068	1.4
105.07087	2.9
121.06574	30.2
123.08145	100.0
132.34720	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	1231.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02934	3.5
87.00849	1.8
89.02425	7.4
95.01363	0.3
97.02924	0.5
99.00861	1.4
101.02425	12.7
113.02435	7.2
119.03484	4.8
120.06164	0.2
123.08104	0.3
124.98357	0.3
125.02415	0.5
127.04034	0.4
131.03444	2.4
132.97708	0.3
139.11276	0.3
143.03438	2.1
149.04520	0.4
155.03566	0.3
159.02983	0.4
161.04533	4.4
168.07921	0.4
179.05585	7.1
179.39163	0.3
183.25699	0.3
203.05573	1.1
207.13860	0.5
209.15443	5.9
221.06671	2.1
233.15343	0.4
247.08223	0.4
251.16663	0.4
269.17548	1.2
324.10223	0.5
325.10712	0.4
340.13190	0.6
341.10309	5.9
341.14066	0.6
344.48846	0.3
356.12650	4.9
371.14966	7.0
373.96957	0.3
413.21802	9.8
431.22809	6.5
469.21075	0.4
471.22073	0.6
472.22534	0.6
473.23904	100.0
517.23187	1.1
551.21362	4.3
752.44427	0.3
884.16626	0.3
1055.24768	0.3
1136.83411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98487	1.6
64.73558	1.3
65.39722	1.8
66.30559	1.6
67.05511	2.2
80.02689	1.8
81.23337	1.4
92.80296	1.6
95.05022	11.5
105.07126	2.1
121.06577	23.9
123.08142	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	123.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15206	1.0
67.05493	1.7
69.03453	1.9
80.02687	2.1
82.45670	1.4
95.01379	6.5
95.05006	9.7
105.07079	2.0
121.06583	24.5
123.00861	5.0
123.04536	8.1
123.08148	100.0
125.93629	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	123.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06871	0.5
53.89285	0.6
67.01880	0.8
67.91511	0.5
77.03976	0.7
80.02691	0.8
81.03449	3.3
92.19344	1.3
93.03455	3.6
95.01379	7.6
95.05008	9.3
105.03436	3.4
108.02174	11.8
114.32756	0.6
121.01668	0.7
121.02894	0.7
122.03716	10.0
123.00896	6.8
123.04506	100.0
129.22864	0.7
138.06041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.045
Annotation	p-Hydroxybenzyl alcohol
Peak:m/z	Relative Intensity
55.74697	0.2
58.19148	0.2
77.27031	0.2
78.82458	0.3
93.03440	37.9
95.01379	2.7
95.05032	0.3
97.61476	0.3
108.02137	0.2
121.02937	100.0
123.00880	1.3
123.04507	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	123.0451
Annotation	4-Methylcatechol
Peak:m/z	Relative Intensity
52.86414	0.7
54.06239	0.6
57.63231	0.6
59.09134	0.6
71.30172	0.6
79.05516	12.2
81.03435	15.6
93.03456	2.7
95.01371	28.4
95.05001	6.3
105.03512	0.8
108.02167	4.8
111.47984	0.8
122.03720	5.4
123.00871	22.7
123.04501	100.0
123.08159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0814
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
50.43387	1.6
55.67515	1.7
58.99881	1.4
59.63079	1.3
62.67264	1.4
67.05501	1.6
67.56976	1.4
69.03447	2.2
80.02680	2.5
84.83209	1.4
84.83765	1.5
93.03455	7.5
95.05013	11.6
104.09544	1.7
105.07095	1.9
108.02149	29.2
121.02943	9.3
121.06564	26.3
123.04486	15.9
123.08137	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	1229.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02946	3.1
89.02416	5.7
101.02431	14.8
113.02437	5.2
125.02419	4.5
125.41111	2.6
131.03464	4.2
161.04539	3.2
162.83472	2.7
211.01733	2.7
629.09100	3.6
716.56995	3.1
1125.51135	24.1
1143.53076	5.2
1185.53235	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	123.045
Annotation	4-Methylcatechol
Peak:m/z	Relative Intensity
57.06071	0.6
57.70861	0.7
62.00834	0.8
66.30063	0.6
67.01873	1.0
81.03442	1.5
82.13107	0.8
92.19984	0.8
93.03452	3.7
95.01373	4.2
95.05011	6.7
105.03445	1.4
108.02150	1.4
112.83528	0.7
122.03746	8.2
123.00853	1.3
123.04507	100.0
130.72847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1227.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02930	2.8
87.00844	0.3
89.02420	4.6
92.20005	0.6
95.01324	0.4
95.05006	1.0
95.90324	0.2
97.02937	1.5
97.06554	0.4
99.00867	0.4
101.02425	11.1
107.04980	0.8
109.06554	0.5
111.04502	1.8
113.02420	8.1
119.03476	2.8
121.05728	0.4
121.06572	6.7
122.02928	0.2
122.03714	2.0
123.08150	0.3
124.05279	1.3
125.02450	0.3
125.06084	0.8
131.03448	1.0
133.06593	0.5
135.04509	1.1
135.08099	0.2
136.05280	5.5
137.06056	3.6
138.06827	4.1
139.07628	19.5
143.03455	0.5
147.08151	2.6
149.04518	1.1
149.09694	0.4
151.07616	4.4
153.05537	0.2
153.09177	0.4
157.06508	0.3
159.03104	0.3
159.08061	0.3
161.04524	4.4
165.09143	0.3
168.07893	41.9
169.84897	0.2
173.09682	6.9
175.11267	1.3
177.09157	0.3
179.05606	7.4
185.09721	0.3
187.11244	1.2
189.09146	0.4
189.12840	4.4
191.10771	3.4
193.12230	0.3
199.11288	2.4
201.09317	0.3
202.09929	0.5
203.05638	0.3
203.10756	0.4
207.13914	0.4
215.10684	0.9
217.12311	18.5
219.13866	3.8
220.11006	1.2
221.06641	1.5
229.12334	1.7
231.13910	0.3
235.13371	18.5
241.12289	2.4
247.13362	15.6
265.14429	29.0
268.50479	0.2
289.14154	0.7
311.09515	0.2
313.10782	0.3
324.10132	0.4
325.10800	0.9
326.11661	0.9
340.13043	0.3
341.10284	8.1
341.13806	0.4
356.12601	7.1
371.10101	0.2
371.14966	7.8
379.17584	1.2
409.18683	15.3
427.20078	0.8
439.19662	5.8
469.20767	100.0
513.19757	1.3
551.21375	3.8
1075.51013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1221.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
85.26020	0.4
91.86079	0.4
118.37707	0.3
120.04470	0.5
129.05562	2.2
129.68295	0.3
136.07640	0.8
138.09241	0.4
147.04494	0.3
148.04039	10.6
150.05579	5.3
154.05089	0.8
159.07982	0.3
160.03992	2.9
161.04800	24.2
162.05548	1.9
164.03452	0.6
164.07121	0.4
173.03500	0.8
173.06042	0.6
174.04291	1.8
174.05630	0.5
175.05104	29.8
176.05843	1.8
179.08284	0.5
185.34834	0.3
187.06314	0.6
189.06635	0.6
190.07339	0.8
190.08885	0.4
191.08220	1.9
196.40627	0.4
200.10803	0.4
201.09222	2.1
202.03819	0.6
202.08798	5.6
203.04630	12.1
203.08211	0.7
204.06677	0.6
215.05875	0.6
215.08255	1.3
216.06664	5.5
216.10187	0.6
217.07428	0.7
217.09569	0.4
226.08698	0.8
227.07164	0.6
227.09470	0.5
229.07391	1.3
231.07698	1.8
232.08524	7.4
233.09285	28.9
241.09854	0.4
242.08308	0.4
243.11240	0.5
244.09795	52.0
245.06940	0.5
245.09248	5.3
246.07613	1.3
259.07425	0.4
259.10962	0.3
261.12454	1.3
263.10370	2.7
269.09348	0.5
270.07950	0.5
285.08713	0.4
286.09576	4.2
287.10400	7.6
287.13620	1.1
288.08688	1.9
295.10892	2.5
303.09668	0.4
304.10666	0.6
305.11441	7.1
312.13516	2.0
337.10745	0.8
338.11441	1.9
339.12164	0.7
370.17603	3.0
371.37717	0.4
380.20120	0.4
442.19327	0.4
468.17740	24.5
468.24402	0.8
469.18121	0.4
472.20767	2.3
507.20810	1.3
515.22949	0.5
605.26123	18.1
635.27240	100.0
636.27283	0.8
750.98975	0.4
918.66663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1219.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
94.86961	1.3
113.48356	1.2
129.05504	1.7
136.07779	1.3
138.09157	1.3
148.04005	9.7
150.05597	3.1
154.05077	1.9
161.04803	25.4
162.99013	1.2
175.05107	33.7
175.06476	2.4
189.29582	1.2
197.11931	2.1
202.08737	6.5
203.04662	14.3
216.06537	2.6
232.08495	8.0
233.09291	27.8
244.09818	57.2
245.09312	6.6
263.10394	2.7
286.09641	2.8
287.10352	8.8
288.08624	2.2
305.11438	7.3
369.44321	1.5
370.18015	2.0
372.05017	1.4
468.17734	25.9
472.20688	1.7
550.28387	1.5
605.26215	19.2
635.27295	100.0
690.63007	1.4
1146.07898	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	1211.549
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02973	0.3
89.74237	0.2
90.67407	0.2
92.56170	0.2
96.04541	0.4
96.68282	0.2
112.04060	0.9
120.04589	0.3
129.05582	2.1
136.07703	1.0
138.09193	0.4
148.04025	12.2
148.51775	0.2
149.04784	0.3
150.05591	5.3
154.05040	2.0
160.04007	3.0
161.04800	25.7
162.05586	2.1
163.02779	0.2
164.03491	0.5
164.07176	0.4
172.05365	0.3
173.03592	1.4
174.04359	1.2
174.05612	0.9
175.05101	33.3
176.05849	1.7
177.06688	0.5
187.06471	1.1
189.06703	0.5
190.07469	1.4
190.08951	0.4
191.08255	1.8
200.10832	0.5
201.07785	1.1
201.09500	1.9
202.03862	1.2
202.08858	4.5
203.04616	13.6
203.08299	0.4
204.06674	1.2
214.11081	0.3
215.05994	0.4
215.08279	0.4
216.06654	4.8
216.10298	0.6
217.07460	1.3
217.09474	0.3
219.11331	0.6
226.08746	1.2
227.07239	0.9
227.09421	0.5
228.06696	0.5
229.07463	1.5
231.07642	1.9
232.08487	8.1
233.09288	29.8
241.09673	0.3
242.08362	0.8
242.10570	0.5
243.07796	0.5
243.11420	1.1
244.09801	57.9
245.06999	0.6
245.09302	6.0
246.07735	1.0
259.07245	0.3
259.11102	0.3
261.08469	0.2
261.12540	1.1
262.09622	0.3
263.10339	3.4
268.08609	0.6
270.07776	1.0
271.08325	0.3
273.54803	0.3
281.09344	0.3
285.08826	1.3
285.12036	0.4
286.09634	3.4
287.10406	7.2
287.13983	1.9
288.08765	1.6
295.10806	1.7
304.10556	1.1
305.11438	7.0
312.13559	1.9
328.16452	0.4
337.10718	0.4
338.11337	2.6
339.12268	1.1
363.17233	0.4
370.17758	3.5
382.17810	1.0
383.16251	0.3
400.18991	0.6
424.18936	0.4
442.20212	0.8
449.15872	0.4
468.17755	26.3
472.20712	2.0
575.26642	0.5
605.18549	0.4
605.26160	19.3
635.27246	100.0
636.27856	0.5
1221.22278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0658
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
58.95931	0.5
73.20585	0.5
90.29434	0.5
102.92417	0.5
106.04230	32.1
108.95531	0.6
121.02954	12.8
121.06574	100.0
138.03221	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	121.0293
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
56.61779	0.2
68.73649	0.3
86.19823	0.3
88.06990	0.3
92.02662	0.6
93.03439	1.1
108.02176	0.3
120.02139	0.4
121.02937	100.0
132.57886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0293
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.07335	0.9
58.15124	1.1
66.22842	0.8
85.99387	1.0
90.33616	1.1
103.30599	0.9
121.02939	100.0
133.57338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0657
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
68.40229	0.2
93.03442	0.5
95.74843	0.2
98.34444	0.2
106.04222	0.3
116.88762	0.2
120.05817	0.2
121.02950	13.3
121.06574	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	1193.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	0.6
101.02422	0.3
103.07169	0.2
122.74536	0.3
137.02478	0.3
149.02435	1.4
149.06068	1.5
150.03223	1.0
151.04012	1.3
152.01108	0.3
153.05476	0.8
154.02701	0.5
163.04034	0.4
164.04793	4.2
165.01918	1.5
165.05551	12.1
166.06348	7.1
179.07112	3.0
180.04242	0.6
180.07637	0.3
181.05078	1.1
181.08760	2.4
190.06357	0.3
193.01407	1.0
195.06592	1.5
205.08696	0.4
206.05727	0.2
207.06679	1.3
208.03772	16.0
209.04420	4.9
209.07994	0.3
210.05418	0.6
223.06119	42.3
224.06836	30.2
225.07686	86.7
234.05405	2.0
239.09245	68.8
249.07657	4.6
265.07056	0.5
267.08871	0.4
403.68796	0.3
433.15033	7.4
434.15314	2.6
435.16589	26.4
459.16364	0.4
469.46243	0.3
595.20343	11.4
596.20758	4.0
597.21912	100.0
659.60461	0.3
1089.47131	0.3
1115.21765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.05
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.67386	0.5
59.01374	2.8
60.54929	0.5
63.52195	0.5
63.99939	0.4
69.55440	0.4
71.01377	0.7
91.05524	0.8
93.03445	0.6
117.03450	1.0
118.92670	0.8
119.05002	100.0
122.74317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.05
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.67778	0.4
57.18016	0.5
58.15535	0.4
58.64455	0.4
59.01374	0.4
74.05607	0.4
85.37383	0.4
89.11243	0.5
93.03445	1.0
96.43551	0.6
98.83907	0.5
101.92409	0.7
118.92613	4.5
119.05005	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	1191.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
82.57597	0.3
83.01357	0.4
85.02942	2.5
87.00857	1.1
89.02422	7.8
92.19991	0.5
95.01360	1.3
95.33737	0.2
97.02943	0.3
101.02422	8.9
110.76961	0.2
112.01654	0.3
113.02426	8.0
119.03472	3.6
119.22031	0.3
124.01617	0.4
125.02421	1.0
131.03497	2.7
143.03488	1.0
149.04558	0.3
161.04500	3.5
179.05592	1.3
195.32692	0.2
221.06680	2.3
245.06544	0.3
353.24838	0.3
371.25833	1.1
421.31113	2.1
439.32196	10.6
457.33270	1.7
465.30408	0.4
483.30997	4.3
583.36499	1.0
601.37598	2.4
627.35107	0.5
645.36438	11.1
663.37488	8.3
669.35797	0.3
687.37787	1.1
705.38458	5.5
1037.56348	0.3
1147.58911	0.5
1173.52502	0.4
1191.54321	100.0
1219.77905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0501
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
54.08394	0.6
58.43298	0.8
59.01378	2.7
71.01363	0.8
73.00968	0.7
81.39442	0.7
86.88808	0.7
119.02546	1.7
119.05006	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	119.0501
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
52.50467	0.4
52.72692	0.4
59.01368	1.1
61.21696	0.4
63.42545	0.4
63.87436	0.4
65.27842	0.5
71.01354	0.8
81.78147	0.5
86.38359	0.4
91.05511	0.8
91.38329	0.4
102.54903	0.5
117.03433	2.6
119.05002	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	119.0501
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
60.71061	0.8
70.66479	0.8
76.17619	1.0
80.55390	0.8
86.59358	0.9
88.89538	0.7
93.03451	0.9
119.05008	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	1187.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02997	1.0
85.02943	0.6
112.04051	0.5
113.02443	1.3
129.05583	2.0
134.07732	0.3
136.07704	1.0
138.09259	0.5
147.04498	0.5
148.04034	12.8
150.05582	5.2
154.05104	1.6
160.02913	0.4
160.03996	2.7
161.04803	26.0
162.05573	2.0
163.02727	0.4
164.03537	0.5
164.07237	0.4
168.10507	0.2
173.03552	1.5
173.06061	0.6
174.04315	1.6
174.05653	1.0
175.05106	30.1
176.03600	0.3
176.05876	1.7
179.08305	1.0
179.10674	0.2
187.06459	0.6
189.06735	1.2
190.07529	1.3
191.08299	1.9
200.10887	0.4
201.07878	1.2
201.09264	1.5
202.03941	1.0
202.08829	4.3
203.04623	11.7
203.08260	0.4
204.06735	0.9
214.11032	0.4
215.05905	0.5
215.08286	0.4
216.06644	4.1
216.10243	0.6
217.07576	0.6
219.11401	0.4
226.08815	1.3
227.07298	0.4
227.09612	1.0
228.06610	0.4
229.07420	0.5
231.07654	0.9
232.08499	7.4
233.09293	28.2
234.07654	0.3
238.18861	0.3
241.09831	0.3
242.08342	0.4
242.10478	0.3
243.07617	0.5
243.11444	1.4
244.09801	53.2
245.06985	0.6
245.09265	5.1
246.07677	1.0
247.08501	0.3
259.07227	0.5
259.10837	0.3
261.12341	0.3
263.10373	2.8
268.08539	0.5
269.09341	0.3
270.07755	0.4
271.08682	0.5
281.09283	0.5
285.08792	0.3
286.09570	3.4
287.07391	0.4
287.10400	7.6
287.14026	1.5
288.08789	1.7
289.09552	0.4
295.10858	1.9
304.10687	1.2
305.11392	7.0
312.13647	1.5
313.12088	0.4
328.16714	0.4
338.11383	2.3
339.12088	1.0
370.17737	3.4
381.18060	0.3
382.17926	0.9
400.18570	0.4
406.17645	0.4
424.18936	1.1
442.19724	0.4
454.20132	0.3
468.17725	25.0
472.20871	1.8
485.19955	0.3
507.20874	6.9
507.27838	0.6
605.26215	20.6
635.27264	100.0
636.27264	0.3
1181.42017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	22.6
85.02937	11.6
89.02423	37.0
90.14336	1.3
95.01392	1.8
101.02423	100.0
113.02431	45.0
119.03468	17.9
119.05024	1.7
125.02390	2.0
131.03477	9.1
138.06842	1.8
138.82318	1.5
143.03473	8.9
149.04526	21.9
151.07671	2.6
152.08412	7.6
152.20554	1.7
153.09192	16.7
155.03400	1.9
161.04535	48.4
179.05588	47.3
179.06879	1.4
203.05621	6.9
205.12350	6.0
221.06638	60.5
223.13350	2.6
247.85521	1.7
305.58301	1.3
313.10922	1.4
324.09995	2.7
325.10757	4.8
326.07764	1.6
326.11523	2.7
339.12653	2.3
340.13223	2.1
341.10306	41.1
356.12622	45.6
367.17584	10.8
371.14966	52.8
427.19699	56.3
551.21259	23.1
881.65308	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	1185.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	22.6
85.02937	11.6
89.02423	37.0
90.14336	1.3
95.01392	1.8
101.02423	100.0
113.02431	45.0
119.03468	17.9
119.05024	1.7
125.02390	2.0
131.03477	9.1
138.06842	1.8
138.82318	1.5
143.03473	8.9
149.04526	21.9
151.07671	2.6
152.08412	7.6
152.20554	1.7
153.09192	16.7
155.03400	1.9
161.04535	48.4
179.05588	47.3
179.06879	1.4
203.05621	6.9
205.12350	6.0
221.06638	60.5
223.13350	2.6
247.85521	1.7
305.58301	1.3
313.10922	1.4
324.09995	2.7
325.10757	4.8
326.07764	1.6
326.11523	2.7
339.12653	2.3
340.13223	2.1
341.10306	41.1
356.12622	45.6
367.17584	10.8
371.14966	52.8
427.19699	56.3
551.21259	23.1
881.65308	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	1173.6589
Annotation	Unknow
Peak:m/z	Relative Intensity
82.30606	1.1
87.72432	1.1
91.92575	1.1
93.03422	1.6
119.05000	7.6
132.07265	1.2
134.06084	4.1
146.06140	2.0
155.08214	5.2
163.04028	9.1
170.25333	1.3
179.85957	1.2
180.06636	38.2
186.05557	2.2
189.06654	5.7
191.08293	2.1
200.10788	2.4
207.81575	1.1
221.09384	1.4
222.58621	1.3
223.14548	1.8
226.08783	2.4
243.11366	6.6
245.66673	1.1
266.11813	6.8
271.21365	1.2
275.21265	6.9
293.15012	2.3
319.20300	2.6
327.13605	6.8
329.16559	8.3
373.15668	1.7
414.20078	1.9
445.77975	1.1
470.68860	1.2
500.27560	15.7
554.22986	100.0
559.22650	1.3
613.30908	4.4
1055.51685	24.7
1173.50867	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	1181.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
86.35551	0.8
129.05562	1.2
136.07652	1.1
138.09357	0.9
148.03995	10.1
148.47337	0.9
150.05646	5.8
154.05132	1.6
156.85245	0.9
160.03975	1.1
161.04794	25.0
162.05576	1.9
174.05597	1.4
175.03674	1.7
175.05099	31.9
176.05843	1.3
189.06747	1.0
190.07303	1.2
190.08823	1.2
191.08170	1.5
201.09235	1.1
202.08781	4.2
203.04555	11.0
214.10938	0.9
216.06633	5.3
218.04128	0.8
227.09709	1.0
229.07352	1.3
231.07698	1.0
232.08473	7.5
233.09285	28.7
234.93774	1.0
242.10480	1.0
244.09785	50.0
245.09213	6.0
259.26361	0.8
278.71301	0.8
286.09521	3.4
287.10538	7.7
287.13440	1.3
288.08716	1.5
295.10730	1.0
305.11423	7.6
312.13559	1.9
344.16766	1.0
370.17624	1.7
442.20026	1.3
468.11392	1.6
468.17715	30.0
472.20834	1.8
605.26141	18.2
635.27234	100.0
765.08643	0.8
969.87848	0.8
1129.73889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0192
Annotation	Succinic acid
Peak:m/z	Relative Intensity
51.09867	0.2
55.01871	0.3
56.86097	0.1
63.87147	0.1
73.02938	100.0
82.36929	0.1
85.87723	0.2
91.73844	0.2
99.00867	9.4
117.01923	22.3
121.28128	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	117.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53973	0.1
53.98181	0.1
53.98446	0.1
55.01870	0.3
56.84879	0.1
59.76377	0.1
61.79435	0.1
68.37501	0.1
68.74139	0.1
71.01433	0.1
73.02938	100.0
73.09576	0.2
80.25980	0.1
97.87409	0.2
99.00868	9.5
116.92874	0.3
117.01923	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
107.65945	0.6
121.02956	1.2
135.04492	1.0
149.02405	5.7
150.03212	16.8
152.01138	2.4
163.03995	0.9
163.57228	0.7
164.04794	19.5
165.05545	58.3
179.07144	9.0
180.04222	2.2
193.01405	3.6
195.06628	17.5
208.03761	40.8
223.06116	69.4
263.96948	0.6
419.13486	10.8
581.18787	100.0
975.08527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
95.64394	4.9
101.02518	4.9
188.88443	4.4
194.32829	3.9
341.10382	17.7
344.12653	35.4
356.12540	26.1
359.14966	75.2
371.15002	47.3
373.13016	8.0
373.18829	7.4
389.16183	46.5
403.14120	5.1
551.21704	5.6
565.19220	8.1
611.23480	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	1167.6881
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03441	2.2
85.02911	3.1
87.00851	3.5
89.02431	23.6
97.02923	3.4
101.02429	21.5
113.02410	12.1
119.03465	7.8
125.02432	7.7
158.77026	1.5
161.04517	2.3
235.08199	7.5
255.23276	100.0
263.07300	1.9
266.84082	1.5
304.50656	1.5
397.08441	3.0
397.13458	56.7
415.14578	12.8
595.16870	1.6
611.52539	1.6
653.25989	2.2
653.37439	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0504
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.79728	0.3
55.62351	0.3
74.02460	6.7
85.40779	0.4
89.06589	0.3
116.05042	100.0
116.07150	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	1160.707
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02927	0.3
87.00856	7.4
91.05522	0.2
93.03441	1.1
97.06567	6.6
102.98583	3.0
105.03438	0.3
107.05026	1.8
111.04505	1.3
112.05265	1.8
119.05044	0.4
121.02930	28.0
122.03717	5.7
123.04527	1.7
130.99841	0.6
135.04503	1.7
136.01624	0.2
137.02379	0.9
139.03937	0.3
145.02890	1.9
146.03712	0.5
147.04512	16.2
148.05322	2.3
149.06085	1.0
152.65631	0.2
157.65886	0.2
163.03996	13.5
164.04765	4.0
165.05460	2.3
175.07654	0.3
191.03505	7.0
192.04285	4.2
193.05040	2.9
194.02174	0.5
201.09206	2.0
205.03545	0.5
217.08609	0.3
219.10274	5.2
223.04527	0.5
245.11700	0.3
247.65871	0.3
254.04330	0.6
260.85822	0.2
261.11200	1.8
289.10803	2.1
291.08746	2.8
307.11911	1.4
309.06244	0.5
309.09818	15.5
351.10779	6.3
367.10278	1.9
368.10690	1.8
368.16150	0.3
369.11887	100.0
476.52823	0.3
790.58466	0.3
807.98792	0.3
954.59863	0.3
1160.73047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82786	1.1
57.54070	1.1
59.01377	100.0
62.74839	1.0
71.01374	31.1
71.05009	32.8
84.55459	1.1
87.04481	1.7
90.53770	1.2
94.22270	1.1
97.02919	5.1
115.00346	2.0
115.03994	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.6391
Annotation	Unknow
Peak:m/z	Relative Intensity
89.01460	0.8
109.00002	0.7
152.99570	31.7
161.97324	0.8
163.23900	0.7
171.00658	9.0
227.03224	1.1
245.04289	43.0
253.21678	7.2
481.25699	100.0
555.60767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0035
Annotation	Maleic acid
Peak:m/z	Relative Intensity
53.95135	0.6
55.01859	0.8
59.01377	13.5
71.01373	100.0
71.05012	22.3
72.99324	1.0
87.00840	0.9
97.02927	4.6
97.93098	1.3
106.29166	0.9
114.93399	7.3
115.00336	13.8
115.04002	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	115.0399
Annotation	3-Oxopentanoic acid
Peak:m/z	Relative Intensity
54.55468	0.6
59.01379	100.0
60.60040	0.7
66.74572	0.6
71.01374	40.4
71.05013	29.1
87.04520	1.4
89.23827	0.6
89.67700	0.6
97.02918	5.6
115.00367	4.8
115.03987	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45671	1.3
59.01370	7.4
59.56681	1.4
71.01373	100.0
73.21297	1.5
83.25458	1.3
89.09602	1.5
101.88287	1.5
109.44516	1.4
115.00359	12.5
115.75838	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	1149.7107
Annotation	Unknow
Peak:m/z	Relative Intensity
79.77081	5.4
99.06337	4.4
101.80567	4.9
105.79330	4.5
203.41811	4.6
241.72792	5.9
289.26282	5.1
305.24832	100.0
385.58456	5.3
530.32129	46.3
604.36316	20.6
607.91150	6.0
642.38989	5.2
928.73053	6.0
1171.40002	6.2
1172.02295	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	1149.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
81.66013	0.3
83.01380	6.3
85.02943	0.7
89.02427	1.7
97.02893	0.4
100.87838	0.3
101.02425	20.5
113.02442	4.9
119.03467	0.5
121.10220	14.8
125.02428	0.8
131.03442	2.5
143.03500	0.4
149.04552	1.4
161.04556	3.0
221.06732	0.6
227.34901	0.4
285.44449	0.4
387.16605	100.0
431.15588	3.6
659.87659	0.4
673.36646	2.8
675.87848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1146.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
80.73178	0.7
91.05541	2.7
93.38702	0.8
96.04521	1.0
97.05317	1.2
99.80701	0.6
110.07058	0.7
118.06606	12.7
125.03135	0.8
131.15514	0.8
132.30287	0.7
136.01613	3.9
147.04550	5.9
151.03969	10.9
158.09714	3.0
164.07164	6.6
190.06450	0.8
193.66872	0.9
200.10838	2.6
212.14432	0.9
245.10550	4.7
246.11224	3.1
255.18698	1.4
274.77713	0.9
298.19180	1.0
308.10516	3.3
326.11597	1.2
338.11609	3.4
341.13953	1.5
353.13974	1.4
369.13431	1.4
371.14911	3.9
381.94153	0.8
432.22952	1.6
434.24420	0.9
444.16226	5.7
444.21274	0.8
446.24509	100.0
447.18057	4.9
456.15674	1.3
459.18335	8.0
471.17874	1.1
474.17026	1.1
476.18713	1.1
477.19290	12.5
489.19003	7.3
507.20276	9.8
537.21338	41.3
699.27136	1.5
984.46912	1.3
1146.51831	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	1147.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03463	1.2
101.67771	0.6
107.01529	0.6
111.01987	0.7
116.05035	2.4
118.06601	1.0
119.04999	3.4
132.75027	0.6
134.06134	2.2
146.06120	6.0
147.04514	3.0
157.05269	1.2
158.06084	1.3
161.07179	1.3
162.05621	3.3
163.03957	4.9
167.06134	0.7
171.05641	0.7
173.07124	1.2
180.06641	15.3
185.07089	1.0
186.05580	2.5
189.06732	6.1
191.08255	1.3
200.05956	6.8
201.06735	2.8
203.08319	0.9
221.09634	1.3
247.12442	2.1
248.10793	4.2
259.12378	0.9
264.10254	3.8
266.11923	3.9
273.10147	5.8
275.11887	1.1
276.54535	0.6
285.10336	3.5
286.11179	6.6
287.11948	0.7
291.11389	7.6
309.12369	2.4
327.13464	3.1
331.11026	0.6
342.18054	0.7
361.48004	0.6
376.27423	0.6
377.16608	13.0
411.17221	0.8
421.15472	4.5
455.15671	0.7
471.24036	14.0
485.25534	1.0
602.23010	100.0
620.23688	0.7
647.29163	1.3
661.30505	8.3
1082.00012	0.7
1103.49646	1.1
1147.57202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.529
Annotation	Unknow
Peak:m/z	Relative Intensity
115.52882	0.8
116.97031	0.7
136.07658	0.9
148.03986	9.6
150.05603	4.9
160.03995	1.3
161.04803	19.8
162.60655	0.8
168.39574	0.8
173.03427	1.0
175.05090	28.9
175.06177	1.0
187.06334	0.8
190.07455	1.0
191.08340	1.0
202.08723	4.9
203.04628	8.3
216.06651	4.6
231.07574	1.1
232.08478	8.3
233.09306	29.3
244.09790	47.6
245.09232	4.7
247.08258	0.9
263.10370	1.1
285.09006	0.9
286.09564	3.5
287.10339	7.4
287.13654	1.2
288.08728	1.3
305.11539	6.5
338.11475	1.0
370.17578	1.8
436.03357	0.9
468.17676	16.4
472.20798	3.1
605.26196	16.1
618.36139	0.9
635.27258	100.0
979.09204	0.9
1090.19690	1.0
1139.38660	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	1139.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01369	2.3
83.45824	1.5
85.02944	10.0
87.00864	6.1
89.02441	14.3
89.80515	1.5
95.01387	1.7
97.02958	2.0
99.00861	2.5
101.02445	28.9
113.02419	24.3
119.03461	5.7
125.02412	3.4
131.03461	5.8
131.27060	1.6
143.03517	3.4
150.92561	1.3
161.04491	13.2
179.05579	7.0
221.06642	9.6
263.07755	1.6
319.22733	9.7
328.96500	1.6
463.27158	6.2
481.27927	13.8
625.32678	2.9
643.32874	6.8
667.33508	7.8
674.03400	1.6
685.34308	16.5
727.35559	7.1
742.44171	1.7
770.05505	1.7
889.40497	5.9
991.43671	11.2
1009.44800	9.2
1051.46118	100.0
1084.89331	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	1139.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02975	0.8
86.34611	0.4
92.20051	1.1
104.00475	0.4
114.59457	0.5
129.05559	2.6
136.07666	1.0
138.09218	0.7
148.04037	12.5
149.04375	0.6
150.05586	6.5
151.14185	0.4
154.05106	2.0
160.03987	3.1
161.04794	31.0
162.05580	2.9
164.03461	0.6
173.03477	1.6
174.04279	2.2
174.05620	0.6
175.05104	38.6
176.05594	3.1
187.06386	0.7
189.06691	1.8
190.07431	1.9
191.08228	2.6
196.74020	0.4
201.07639	0.5
201.09193	1.9
202.08722	6.2
203.04614	13.9
203.08238	0.4
204.04863	0.5
204.06641	0.6
214.11104	0.5
215.08229	2.4
216.06619	4.4
216.10313	0.7
217.07343	0.8
219.11324	0.8
226.08713	0.6
227.09407	0.8
228.06847	0.6
228.95242	0.5
229.07510	1.6
231.07764	2.6
232.08490	9.5
233.09296	35.8
234.09586	2.7
241.09882	1.9
243.11398	0.9
244.09782	64.4
245.09605	8.4
246.07608	1.5
246.10251	0.7
263.10388	3.4
268.08539	0.6
269.09351	0.5
270.07605	0.6
273.98962	0.4
285.08707	0.6
286.09537	4.9
287.07721	0.6
287.10425	8.6
287.13672	1.1
288.08517	1.5
295.10898	2.3
303.09747	0.8
304.10632	0.7
305.11404	7.3
312.13553	1.8
338.11481	2.0
339.12003	0.7
370.17740	5.2
380.19870	0.5
381.17828	0.6
406.17807	0.6
424.18854	1.5
442.19879	2.9
468.17706	25.1
469.18069	3.2
470.18756	2.2
472.20966	2.5
605.26239	18.4
606.26654	2.5
607.26642	2.4
635.27234	100.0
636.27649	14.3
637.28070	14.1
638.28363	0.5
850.85364	0.4
887.33319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.6547
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95890	3.0
92.19973	0.8
149.32950	0.4
152.99564	10.6
160.89989	0.4
227.03244	1.6
245.04298	0.9
255.23285	100.0
325.29071	0.4
441.51028	0.4
445.26343	0.4
483.27286	59.8
660.66229	0.4
888.61877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
85.09648	0.3
91.83461	0.3
95.93684	0.3
99.98882	0.3
101.02461	0.4
121.18116	0.3
133.02956	2.7
134.03702	0.3
135.04506	21.5
136.07666	0.6
154.08682	2.4
161.02419	58.8
161.04611	1.5
175.05063	0.5
179.03479	76.6
180.06502	0.6
180.71590	0.3
213.13846	0.4
218.91138	0.3
221.04619	0.3
233.09288	0.6
239.11902	5.9
244.09769	1.6
245.09346	0.3
295.09595	0.3
308.17670	1.8
323.07739	3.4
336.20731	0.7
341.08749	68.4
359.16348	2.0
362.18723	17.4
373.15323	0.3
376.20251	0.5
380.19763	6.8
406.17618	2.6
406.66446	0.3
475.27423	0.3
503.14432	3.0
524.21844	1.4
667.26019	2.8
933.93396	0.3
958.34540	0.4
1109.40283	4.2
1139.41931	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	1137.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02986	1.2
82.66560	0.3
86.02337	0.3
95.13466	0.3
112.04052	0.5
129.05605	2.4
134.38969	0.3
136.07697	0.5
148.04028	13.5
150.05577	7.0
154.05127	1.6
160.04073	1.8
161.04800	25.3
162.05571	2.6
164.03514	0.5
173.03569	1.6
173.06024	0.4
174.04311	1.9
174.05655	0.6
175.05103	35.1
176.05820	2.1
177.06760	1.1
178.33403	0.3
179.08186	0.5
183.54308	0.3
187.06430	0.6
189.06711	1.5
190.07497	0.7
191.08287	1.7
200.10966	0.4
201.07748	0.7
201.09425	2.3
202.03862	1.7
202.08823	5.3
203.04596	12.7
203.08476	0.5
204.06674	0.5
214.11095	0.4
215.06044	0.5
215.08272	1.2
216.06667	5.3
217.07581	0.7
219.11389	1.2
226.08725	1.2
227.07199	0.3
227.09483	0.7
229.07483	1.7
231.07700	2.2
232.08545	9.6
233.09290	33.3
234.09621	1.2
241.09853	0.7
242.08282	0.6
242.10603	0.7
243.11421	1.5
244.09796	60.0
245.06862	0.7
245.09319	6.9
246.07805	0.5
246.10165	0.4
247.08418	0.5
259.07126	0.5
259.11160	0.4
261.12402	1.5
262.09570	0.4
263.10379	2.5
264.96619	0.3
268.08463	1.0
269.09232	0.4
271.08621	0.4
285.08939	1.0
286.09579	4.5
287.10397	9.0
287.14032	2.0
288.08804	1.8
289.09714	0.5
295.10806	2.2
303.09918	0.4
304.10654	1.3
305.11420	7.9
312.13602	1.6
328.16846	0.4
337.10593	0.5
338.11508	2.3
339.12231	1.5
342.14679	0.4
370.17694	3.5
381.18228	0.5
382.17621	0.5
400.18811	0.5
424.18723	0.7
442.19968	1.3
468.17728	25.6
469.17932	2.1
470.18173	0.5
472.20883	2.1
507.39621	0.4
605.26172	19.4
606.26343	1.3
607.27069	1.3
635.27234	100.0
636.27515	6.0
637.27863	8.1
740.75647	0.3
744.48431	0.3
970.82593	0.4
1137.41797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02987	1.2
90.38581	0.2
92.19984	0.3
106.95367	0.3
112.04053	0.4
120.99633	0.2
129.05585	1.7
133.88977	0.3
136.07680	0.5
138.09280	0.6
147.04515	0.4
148.04030	12.5
149.04724	0.4
150.05580	5.8
154.05112	1.7
160.04001	2.7
161.04799	24.7
162.05569	2.2
164.03513	0.4
173.03571	1.7
173.06081	1.1
174.04337	1.7
174.05626	0.4
175.05104	32.3
176.03568	0.4
176.05878	1.8
177.06685	1.1
187.06441	1.2
188.05797	0.3
189.06693	1.2
190.07341	0.5
191.08252	2.7
196.54153	0.3
200.10748	0.6
201.09346	2.1
202.03925	1.2
202.08797	5.9
203.04619	11.8
203.08382	0.5
204.06665	0.4
214.04933	0.2
214.11162	0.5
215.05922	0.5
216.06630	5.0
216.10252	0.5
217.07504	1.4
217.09650	0.3
219.11378	0.6
222.41068	0.3
226.08743	1.2
227.07304	0.6
227.09456	1.0
228.06537	0.4
229.07430	1.5
231.07727	1.8
232.08519	8.4
233.09283	31.0
234.07703	0.3
234.09677	0.4
242.08276	0.6
243.11481	1.2
244.09787	56.7
245.06900	0.5
245.09305	5.4
246.07701	1.3
259.10846	0.3
261.12439	0.5
262.09503	0.5
263.10266	2.5
269.09326	0.4
271.08450	0.4
274.65033	0.3
285.08749	0.6
286.09534	4.3
287.07541	0.3
287.10449	8.0
287.14001	1.4
288.08823	1.3
295.10843	2.4
304.10611	1.2
305.11407	8.4
305.14618	0.4
312.13547	1.4
337.10434	0.4
338.11490	2.2
339.12195	1.2
341.15152	0.3
370.17575	3.2
381.18207	0.4
382.17688	0.7
400.18845	0.6
424.19101	0.5
442.19467	0.3
468.17719	26.9
469.18362	0.5
472.21014	2.5
595.22229	0.3
605.26215	17.4
606.26550	0.5
617.26202	0.3
635.27246	100.0
636.27625	2.2
637.28021	3.8
1137.42346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02994	0.8
129.05598	1.6
135.04497	3.3
136.07710	0.9
148.04016	10.6
150.05597	3.8
154.05069	1.0
160.03993	1.8
161.04802	22.8
162.05548	1.4
164.03558	1.0
173.05913	0.8
175.05106	27.0
191.08282	0.9
201.07811	1.1
202.08865	5.8
203.04611	11.5
203.08235	1.5
216.06653	3.8
217.07492	0.9
226.08797	1.0
232.08492	6.1
233.06966	1.0
233.09303	28.4
244.09805	60.5
245.09186	5.3
263.10513	1.3
266.54141	0.8
281.08972	0.9
286.09488	4.4
287.10474	9.0
287.13458	1.4
295.10739	1.7
305.11401	8.6
312.13846	1.0
338.11380	1.8
339.12180	1.0
350.85785	0.8
370.17706	4.7
380.19608	0.8
395.09671	0.9
468.17679	20.2
605.26190	15.1
635.27258	100.0
947.75745	0.9
1100.92090	0.8
1135.47107	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	1135.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
80.11134	0.5
82.02988	0.8
84.32426	0.5
86.86450	0.4
88.85275	0.4
116.92803	2.5
129.05568	2.4
133.36740	0.5
138.09294	0.6
148.04018	10.7
150.05598	4.0
154.05103	1.9
160.04027	0.9
161.04810	22.8
162.05553	2.4
167.24931	0.5
173.03516	1.1
174.04314	1.1
175.05101	27.7
176.05844	1.8
176.33199	0.5
177.06671	0.7
189.06685	0.6
191.08139	1.9
201.07813	0.7
201.09418	0.6
202.03760	0.7
202.08765	3.4
203.04637	10.1
203.08182	0.7
203.65770	0.5
214.11356	0.7
215.05852	0.6
215.08221	0.7
215.54475	0.6
216.06689	4.0
217.07590	1.0
227.07129	0.6
227.09528	0.5
231.07756	2.4
232.08463	7.6
233.09303	26.8
241.09831	0.6
243.11275	1.6
244.09796	52.9
245.09265	5.1
263.10394	2.8
268.08554	0.5
284.80688	0.5
286.09738	4.1
287.10425	7.0
287.13614	0.9
288.08810	0.8
295.10751	1.1
304.10617	0.9
305.11429	6.9
312.13541	1.8
337.10306	0.5
338.11435	2.1
339.12317	0.9
362.18884	0.9
370.17764	3.2
380.19818	0.6
424.18616	1.0
431.55090	0.6
442.19580	1.8
449.14828	0.5
468.17709	23.8
472.20874	2.0
500.59711	0.6
515.21997	0.5
545.10455	0.5
605.26202	18.4
635.27234	100.0
636.27679	0.7
1020.60413	0.6
1135.63843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01378	1.3
85.02935	5.1
87.00847	2.1
87.02377	0.3
89.02422	6.2
95.01378	1.2
95.31762	0.4
97.02935	0.5
99.00846	1.2
101.01797	0.4
101.02423	10.4
112.01618	0.6
113.02426	8.1
113.09782	0.4
119.03475	3.0
125.02396	0.7
128.51659	0.3
143.03545	0.4
151.83875	0.3
156.96208	0.4
161.04501	1.3
214.07027	0.3
217.48708	0.4
223.06131	0.7
237.63120	0.3
499.34201	0.5
837.42963	0.6
1047.50342	0.7
1059.51086	0.6
1089.51123	100.0
1133.50037	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	1133.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
112.27483	0.5
121.02936	0.6
135.04533	0.5
149.02391	6.6
152.01175	3.2
156.30020	0.6
163.04034	2.1
164.04776	20.0
165.01906	0.6
169.04994	0.5
179.07130	10.2
180.04308	1.8
192.18379	0.4
193.01320	4.6
195.06621	7.2
208.03761	60.7
210.05235	0.6
221.08086	0.6
223.06114	100.0
225.07657	1.1
289.84192	0.4
369.69971	0.6
449.14468	3.0
455.37439	0.4
611.19788	8.1
623.70270	0.6
637.21375	46.7
799.26666	34.5
1031.45154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1130.6118
Annotation	Unknow
Peak:m/z	Relative Intensity
80.66708	0.3
95.41358	0.4
97.99237	0.4
135.48149	0.5
151.03955	2.6
153.05615	0.4
161.02426	5.6
162.06808	0.5
172.07709	0.8
200.07033	0.4
202.05104	0.9
213.05588	0.5
237.07614	0.7
262.07181	2.1
263.07480	0.9
285.07736	0.7
294.08893	0.5
295.09497	0.5
297.07642	0.8
298.08356	0.7
299.09225	3.9
309.11142	0.5
311.09235	2.8
312.09830	0.6
313.07837	0.4
313.10703	3.2
314.11621	3.5
325.10632	3.3
326.07990	0.8
326.11563	3.9
327.11981	0.6
328.13113	0.7
329.13754	1.8
337.07355	0.7
338.07721	1.7
339.08447	1.6
340.09433	1.9
341.06430	0.7
341.10291	14.2
341.13910	0.8
342.10672	0.7
343.08057	1.8
352.09735	0.9
353.06494	0.6
353.10379	2.6
354.11063	0.7
355.08212	11.3
355.12170	0.8
356.08844	1.5
357.09354	0.5
358.10574	36.2
359.10904	3.0
367.11679	0.4
369.09555	0.6
370.10583	50.0
371.11050	5.9
372.11768	0.8
373.12927	78.7
374.13214	5.7
383.11639	0.7
385.12903	25.9
386.13321	1.5
403.14001	16.7
404.14258	1.4
564.17261	0.5
564.41132	0.7
565.19287	100.0
566.19733	8.7
919.46368	0.4
1130.60950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.4
57.03450	35.1
68.99561	25.9
83.01393	6.4
84.02148	7.3
85.02940	100.0
92.19955	4.5
101.20917	4.1
113.02412	23.2
113.06084	4.3
113.55165	3.8
119.46656	4.4
132.99863	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	1128.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
94.42935	0.8
116.04999	0.8
121.33490	0.9
130.06554	1.1
138.66870	0.8
145.44583	0.8
156.08157	9.8
158.06129	1.7
172.07663	18.9
174.05580	1.6
200.07173	18.7
202.05099	46.2
203.05461	1.7
218.08272	4.1
244.06050	1.2
262.07187	100.0
263.07504	5.1
297.08157	1.2
297.11395	8.1
298.11334	3.1
309.07697	1.4
310.08029	1.1
324.06296	3.3
327.12506	1.1
336.06436	1.5
337.07169	12.3
338.07809	6.0
339.08789	6.4
341.06491	1.5
351.08569	1.0
352.09500	7.9
353.06674	12.1
353.10211	2.9
354.06949	3.6
356.09293	5.9
368.09207	7.1
369.09146	2.1
371.11206	10.3
372.11615	5.3
383.11374	15.0
384.11649	8.0
385.12967	1.1
401.12317	5.0
402.12659	1.8
519.18756	5.6
520.18921	3.7
562.25757	5.2
563.17914	11.3
564.17828	3.6
564.41248	4.7
565.19080	1.6
1128.59644	4.1
1167.45850	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	1127.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
84.10331	4.6
100.26495	4.3
100.91440	4.4
101.02435	7.1
137.48051	4.4
155.37886	4.2
164.10497	3.8
240.13133	4.7
297.07596	9.5
309.07785	8.4
312.10175	8.7
324.06537	7.5
336.06152	5.5
337.07098	42.7
338.08041	6.8
339.08643	22.9
352.09586	39.6
353.06677	37.8
353.10263	5.6
356.08994	26.7
368.09039	23.8
371.11450	67.0
383.11389	100.0
401.12503	25.1
401.51099	4.2
563.17725	40.8
783.27655	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	1127.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02964	0.5
85.02930	1.4
96.04465	0.4
99.00913	0.3
101.02433	0.3
112.04047	0.5
113.02406	1.9
129.05540	1.4
147.04585	0.3
148.04034	11.9
150.05597	5.4
154.05060	1.7
160.04002	2.1
161.04800	25.1
162.05550	1.9
164.03578	0.5
165.13644	0.3
173.03535	1.5
173.05980	0.7
174.04301	0.7
174.05638	0.4
175.05106	30.5
176.03554	0.3
176.05830	2.5
177.06665	1.2
179.08293	0.4
186.05557	0.4
187.06361	0.6
189.06682	1.5
190.07455	1.3
191.08316	1.3
193.13205	0.3
200.10800	0.6
201.07686	0.5
201.09189	1.7
202.03859	0.7
202.08812	5.3
203.04613	11.2
203.08162	0.6
204.06589	0.6
205.77686	0.3
213.06670	0.3
214.11176	0.4
215.05949	0.5
215.08041	0.5
216.06676	3.8
216.10239	0.4
217.07527	0.5
217.71230	0.3
219.11365	0.4
226.08690	0.4
227.09517	0.7
228.06662	0.6
229.07439	1.1
231.07689	1.4
232.08487	7.4
233.09296	27.4
242.08191	0.6
242.10570	0.7
243.11360	0.7
244.09799	54.5
245.06903	0.7
245.09235	5.5
246.07713	0.4
259.10828	0.3
261.12381	0.5
263.10309	2.8
268.08572	0.4
270.07901	0.6
271.08508	0.4
281.09402	0.4
285.08929	0.5
285.12439	0.5
286.09607	3.0
287.10388	7.0
287.13919	1.4
288.08722	1.6
295.10913	2.1
304.10547	0.4
305.11459	6.1
312.13623	1.7
337.10800	0.5
338.11365	2.0
339.12119	1.2
364.17319	0.4
370.17609	3.3
382.17615	0.4
400.18967	0.7
406.17456	0.4
424.18777	0.7
442.19992	0.4
468.17722	24.1
472.20898	2.6
507.20889	7.2
572.40613	0.4
575.26373	0.4
605.26184	18.3
628.37665	0.3
635.27264	100.0
776.96387	0.3
788.06573	0.4
994.92444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
81.93700	0.5
83.01356	6.1
85.02909	0.7
89.02438	2.4
89.19582	0.5
101.02425	21.7
113.02405	6.3
121.10209	17.8
125.02388	0.7
131.03468	2.8
140.64073	0.5
155.03349	0.7
161.02426	0.6
161.04526	1.1
168.58482	0.5
179.03494	0.9
201.99057	0.6
221.06779	0.7
224.78957	0.6
256.48346	0.5
285.04016	0.9
341.09009	1.1
361.16702	0.7
362.18680	0.9
387.16586	100.0
431.15530	30.9
511.69342	0.6
647.23761	1.0
1123.39734	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	1125.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
103.34073	0.3
121.06567	0.3
129.05565	1.1
138.09221	0.4
147.04526	0.6
148.04033	11.4
148.05200	0.5
150.05573	4.3
154.05127	1.5
154.08766	1.2
156.16371	0.3
160.04054	1.9
161.04799	23.9
162.05615	1.7
164.03577	1.1
173.03578	1.3
173.06065	0.5
174.04314	0.7
174.05687	0.6
175.05112	25.1
176.05948	1.2
180.06709	0.7
187.06488	0.4
187.37027	0.3
189.06728	0.4
191.08269	1.3
195.07809	0.7
201.07788	0.7
201.09322	1.5
202.03856	0.4
202.08780	5.0
203.04642	11.5
203.08128	0.3
204.06718	0.5
215.05997	0.5
215.08270	0.7
216.06653	6.0
216.10323	0.3
217.07484	0.6
227.07254	0.3
229.07448	0.7
231.07750	1.5
232.08525	8.4
233.09300	22.4
241.09857	0.5
242.08406	0.7
242.10806	0.4
243.09120	1.1
243.11400	0.8
244.09802	59.4
245.06955	0.8
245.09282	5.2
246.07744	0.5
247.08392	0.5
258.11496	0.4
259.11041	0.5
261.12497	0.5
263.10321	2.1
268.08511	0.3
285.08771	0.5
286.09592	3.7
287.07712	0.5
287.10516	6.2
287.13760	0.9
288.08786	1.5
299.10492	1.3
304.10733	1.2
305.11453	6.6
312.13489	1.7
313.11981	1.8
355.11758	1.4
356.12521	2.9
357.13321	1.9
362.19269	0.3
370.17679	2.3
382.17780	0.7
400.18826	0.4
413.15976	0.6
424.18713	1.4
442.19931	0.7
472.20941	1.6
474.99811	0.3
486.18851	21.5
623.27209	17.4
653.28308	100.0
707.93774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
85.24245	1.0
88.58796	0.9
89.02425	1.2
94.46956	1.1
101.02401	2.2
133.02930	1.2
135.04524	24.5
146.14211	1.2
161.02420	69.0
161.04536	2.3
175.05057	2.0
179.03477	89.9
201.79698	1.0
233.09181	1.1
239.11911	7.7
244.09805	4.6
308.17770	3.9
323.07776	4.2
341.08771	66.7
362.18771	20.5
380.19803	7.6
406.17615	2.1
491.21375	1.5
493.21722	1.2
503.14221	2.4
635.27448	7.0
636.27075	1.3
1091.39636	5.9
1121.40894	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	1121.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
83.90662	2.0
90.64057	1.9
108.02148	2.1
115.69706	2.2
123.04501	8.3
127.05212	2.1
149.02400	8.7
150.03223	17.0
152.01151	16.2
156.72119	2.4
164.04770	22.3
165.05547	59.5
166.81093	1.9
167.03485	100.0
170.13281	2.0
179.07112	12.1
180.04219	3.7
181.04985	4.9
186.88737	2.3
195.06627	15.5
208.03749	45.1
209.04619	4.8
223.06110	66.2
293.51733	2.2
312.10104	2.6
365.13535	2.6
377.12341	3.4
419.13538	33.3
539.17670	50.0
581.18793	82.7
667.46252	2.0
733.45685	2.1
1106.97424	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	1121.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
80.34396	0.4
83.01368	2.3
85.02916	1.2
89.02425	4.7
92.19906	0.9
101.02432	10.3
113.02430	6.5
116.03528	0.7
116.05035	1.2
119.03482	1.0
130.67159	0.6
131.03474	0.8
135.20401	0.5
145.87109	0.5
149.04553	0.7
151.04056	0.5
160.18623	0.5
161.04512	3.4
179.05585	2.7
181.05037	16.3
196.07396	61.6
203.08257	6.0
209.08200	2.6
211.09741	62.9
221.06621	3.2
238.08453	2.1
245.09314	5.3
253.10811	1.1
356.11374	0.8
371.13516	1.2
501.67307	0.5
565.22833	7.7
583.23840	6.3
625.25018	100.0
787.30310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
83.90662	2.0
90.64057	1.9
108.02148	2.1
115.69706	2.2
123.04501	8.3
127.05212	2.1
149.02400	8.7
150.03223	17.0
152.01151	16.2
156.72119	2.4
164.04770	22.3
165.05547	59.5
166.81093	1.9
167.03485	100.0
170.13281	2.0
179.07112	12.1
180.04219	3.7
181.04985	4.9
186.88737	2.3
195.06627	15.5
208.03749	45.1
209.04619	4.8
223.06110	66.2
293.51733	2.2
312.10104	2.6
365.13535	2.6
377.12341	3.4
419.13538	33.3
539.17670	50.0
581.18793	82.7
667.46252	2.0
733.45685	2.1
1106.97424	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	1117.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
137.38617	0.7
142.49464	0.7
151.03987	3.7
161.02400	6.0
299.09210	4.7
311.09265	2.7
313.10791	5.4
314.11646	3.5
325.10770	4.0
326.11630	4.8
329.14026	1.2
340.09262	0.9
341.10297	15.5
343.08221	1.6
353.10272	1.4
355.08203	11.9
355.12143	1.3
358.10590	40.7
364.80969	0.9
370.10583	55.6
373.12918	75.9
385.12964	25.2
403.13992	19.0
520.74261	0.9
565.19275	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	1119.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
80.78673	0.6
81.84502	0.8
97.56589	0.5
100.29737	0.7
129.05557	1.2
136.07610	0.9
137.41794	0.7
148.04039	12.2
150.05577	5.1
154.05077	1.5
156.03856	0.6
160.04083	0.7
161.04813	20.8
162.05569	2.8
173.03502	1.2
174.04309	1.1
174.05673	0.8
175.05101	32.2
175.06439	1.2
176.05753	1.1
178.04164	0.7
179.08275	0.9
189.06689	0.9
191.08313	1.4
192.06310	0.6
197.93474	0.8
201.09259	1.1
202.03844	1.1
202.08821	6.7
203.04646	12.3
204.06586	0.8
215.05830	1.0
215.08194	0.9
216.06589	3.6
216.10065	0.9
227.09499	0.7
228.06644	0.7
231.07777	1.2
232.08583	8.3
233.06960	0.9
233.09305	30.4
244.09824	54.4
245.09315	5.8
263.10269	1.3
286.09695	4.5
287.10364	7.7
287.13501	1.6
288.08722	1.1
295.10764	1.1
305.11429	6.4
312.13672	0.9
313.12207	0.9
338.11606	1.4
339.12253	1.3
370.17703	3.6
424.18954	0.9
455.17264	0.7
468.17773	28.4
472.20801	1.3
493.25272	0.8
605.26141	18.8
617.28198	0.9
635.27258	100.0
636.27502	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	1113.5815
Annotation	Unknow
Peak:m/z	Relative Intensity
83.57697	0.4
89.18217	0.4
91.05431	0.5
92.19399	0.5
93.03419	1.9
107.05005	0.5
110.06097	0.7
111.01991	0.4
112.62016	0.4
116.04991	1.6
119.04978	3.9
124.07697	0.5
127.08760	0.7
127.85947	0.4
128.07144	0.7
134.06097	3.3
135.70844	0.5
136.07651	2.8
137.04813	0.5
146.06105	9.8
147.04518	0.8
155.08240	2.2
158.06059	0.7
162.05681	0.5
163.03976	5.9
163.08675	0.6
166.07397	1.8
172.44318	0.5
180.06642	23.1
186.05586	0.8
189.06688	5.6
191.08276	4.4
203.08257	0.9
209.07169	6.0
214.12273	3.1
215.16727	0.5
221.09198	1.9
225.13847	0.5
229.13377	0.5
239.12027	3.4
240.10364	1.6
252.12633	4.9
257.12933	10.7
262.63754	0.5
264.10367	1.9
266.11847	8.1
275.14203	1.0
281.12827	0.6
283.14487	1.0
315.18604	0.8
327.13489	3.8
342.18146	1.5
343.18192	15.8
387.17200	4.9
399.35391	0.5
404.18726	0.5
427.25452	0.7
471.24023	9.6
568.24518	100.0
596.26056	0.5
627.31860	9.6
1113.51477	2.3
1126.85864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
119.05003	82.5
129.31528	0.5
158.87254	0.5
163.03995	100.0
172.66545	0.5
176.30133	0.5
195.70789	0.5
248.33096	0.5
257.85251	0.5
298.83713	0.5
325.05380	1.0
325.09265	31.7
343.15656	0.5
625.27850	9.4
787.32977	33.3
824.18164	0.6
905.23224	0.6
1022.45587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
78.98559	1.2
79.95720	3.6
80.96506	13.3
85.02937	0.7
92.20033	1.5
94.98065	3.9
96.96019	0.8
101.02445	1.8
110.74611	0.8
125.02414	1.4
134.97542	1.7
148.99139	1.6
152.98601	3.9
164.98618	10.4
166.81175	0.8
175.47037	0.9
206.99715	1.7
225.00739	25.8
250.34109	0.8
315.04086	0.8
525.28705	0.9
609.33014	12.8
670.91406	0.8
808.60754	0.8
944.09021	0.8
1047.58350	0.8
1113.49927	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	111.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45845	0.6
52.32900	0.7
55.01871	0.9
67.01884	71.7
70.04042	0.6
72.40285	0.6
78.95896	23.1
81.03455	1.4
83.01369	1.3
83.05006	12.7
85.02922	0.8
90.42725	0.7
93.03436	9.1
111.00861	100.0
111.04489	7.5
111.20088	0.7
120.31370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0086
Annotation	2-Furoate
Peak:m/z	Relative Intensity
51.74324	0.6
55.00874	0.7
55.96137	0.8
57.69371	0.8
67.01881	80.8
67.53468	0.8
69.93051	0.7
78.95895	93.9
80.79440	0.9
81.41156	0.8
83.05021	1.9
84.22390	0.9
84.58021	0.9
93.03441	1.6
110.97575	6.1
110.98489	1.4
111.00861	100.0
111.04489	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	111.045
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
50.23705	0.5
51.66554	0.6
52.57629	0.5
52.84444	0.5
53.23775	0.5
55.01877	6.2
55.88771	0.5
57.03452	0.8
62.69300	0.5
65.03953	3.0
66.11621	0.6
67.01884	51.3
69.03444	2.6
78.45428	0.6
78.95896	100.0
81.02988	1.1
81.03452	24.4
83.01385	3.2
83.05014	63.4
85.02944	0.6
90.71337	0.6
93.03445	37.8
93.04042	1.2
109.02942	3.1
110.97646	1.2
110.98516	4.4
111.00862	69.0
111.04495	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.6596
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01369	5.2
89.02416	1.3
90.28833	0.6
101.02438	20.3
113.02415	6.3
119.03468	1.0
121.10199	13.5
131.03503	1.4
149.04434	0.9
161.04581	2.9
169.17062	0.8
185.08241	0.6
246.90204	0.7
296.55450	0.7
387.16629	100.0
431.15598	3.6
677.49792	4.9
900.54242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
112.04063	0.8
129.05536	1.6
148.04033	10.1
150.05583	4.5
154.05150	1.5
160.04030	1.5
161.04822	24.8
162.05453	1.4
173.03552	1.0
174.04301	1.3
175.05122	32.4
176.05838	2.0
191.08244	1.6
198.09724	0.9
202.08777	3.3
203.04625	12.0
216.06580	4.8
231.07713	1.0
232.08528	8.6
233.09282	28.8
244.09842	51.2
245.09378	5.9
263.10358	2.0
270.07504	1.0
286.09668	1.8
287.10413	5.5
288.08890	1.1
295.10815	1.3
305.11450	8.1
338.11371	1.0
352.92273	0.9
370.17731	4.9
463.14767	0.9
468.17746	22.3
472.20627	1.8
605.26276	14.8
635.27289	100.0
636.27368	1.0
651.26660	1.4
842.48950	1.2
1040.18811	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	1108.558
Annotation	Unknow
Peak:m/z	Relative Intensity
85.22003	1.1
91.05545	1.6
101.02395	1.6
104.53971	1.5
113.02459	2.1
116.05022	2.5
118.06587	2.9
119.04939	2.0
134.06055	1.8
146.06096	6.2
147.04521	2.1
153.09605	1.3
158.06107	2.2
161.07118	2.3
163.04008	2.9
180.06660	12.3
189.06708	5.6
199.07422	1.6
200.05884	6.2
201.06776	1.5
221.09618	1.5
248.10724	3.2
264.10361	2.5
266.11765	2.1
273.10336	2.7
286.11035	3.2
291.11398	7.8
309.12421	1.5
311.84158	1.4
316.99835	1.5
362.82016	1.4
377.16626	14.5
421.15588	1.8
432.22897	11.5
446.24329	3.2
602.23035	100.0
617.28070	10.3
661.30743	10.2
759.00146	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1108.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
86.49422	0.3
91.05519	1.7
92.19429	0.4
93.03436	1.5
98.01186	0.6
105.60809	0.3
110.01215	0.5
111.01958	1.3
116.05045	2.0
118.06637	3.0
119.05011	5.3
121.97056	0.3
125.15458	0.3
132.04639	0.3
133.05333	0.6
134.06100	3.8
136.07643	0.8
146.06113	6.5
147.04527	3.5
157.05304	1.7
158.06078	2.0
160.07640	0.3
161.07182	2.5
162.05606	2.6
163.03995	4.7
163.08781	0.6
164.07167	0.5
167.06090	0.6
171.05672	1.2
173.07181	2.1
179.91321	0.3
180.06651	14.0
185.07213	1.4
186.05646	2.9
186.07002	0.4
187.05193	0.4
187.08711	0.4
189.06691	7.1
191.08247	2.6
195.05592	0.4
196.06477	0.6
199.07492	0.5
200.05923	9.0
200.07933	0.6
201.06650	2.3
203.08279	1.3
209.07222	0.5
218.07001	0.6
221.09587	1.5
224.10730	0.5
234.97009	0.3
246.11574	1.2
247.12399	2.0
248.10847	4.2
259.12415	1.6
260.10812	1.5
264.10376	3.3
266.11871	4.2
273.10315	6.1
275.11966	0.7
276.10245	1.5
281.12964	0.4
283.14496	0.5
284.17834	0.3
285.10284	3.7
286.11099	6.8
287.11807	0.7
291.11426	8.1
292.09830	0.7
309.12439	2.8
310.10910	0.4
327.13516	3.5
331.10672	0.4
377.16629	12.2
388.24207	0.6
411.17136	1.6
421.15561	4.5
432.22934	13.6
446.24435	1.9
590.39294	0.4
602.23016	100.0
617.28229	0.4
620.24127	1.4
647.29034	0.5
661.30359	9.2
745.52557	0.4
1108.54980	1.3
1143.59900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
92.19943	0.3
101.02461	0.4
123.00863	2.1
127.22195	0.3
138.03210	5.6
148.40138	0.3
153.05560	7.7
159.91405	0.3
166.99850	2.7
178.31914	0.3
181.01497	0.5
182.02199	25.2
196.03792	4.7
197.04547	100.0
211.06119	10.0
224.03160	0.7
239.05586	7.3
355.65088	0.4
375.14655	0.4
407.13568	6.3
450.12210	0.3
569.18774	65.2
608.99237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.509
Annotation	Unknow
Peak:m/z	Relative Intensity
101.02451	0.6
109.02991	0.5
121.02926	2.1
135.04517	22.7
154.08734	3.1
161.02417	2.1
163.03995	2.1
166.00140	0.4
179.05817	0.7
180.06581	1.4
206.08295	0.5
228.17097	0.7
235.10797	0.7
239.11902	2.7
249.12437	2.5
263.13919	0.5
277.15540	1.5
288.71088	0.5
291.17181	4.9
292.17709	0.5
308.19888	15.8
316.41403	0.4
319.11069	0.4
319.18176	0.5
333.12079	6.2
334.17719	12.8
335.18280	2.7
336.20718	0.5
344.17905	0.4
345.15103	0.5
346.15613	2.6
350.20895	9.6
359.14059	1.9
360.17209	6.2
361.17862	1.7
362.18732	37.2
373.15540	10.9
373.34628	0.4
380.19781	2.7
470.22913	2.7
471.23795	0.5
472.24533	42.4
482.21362	0.5
487.23660	0.7
501.25577	0.4
546.79425	0.5
552.17603	0.4
694.32495	2.1
709.35010	1.4
710.35687	2.8
761.29730	0.5
833.42175	3.4
895.43671	0.7
1032.50659	3.9
1076.49817	27.0
1106.50793	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	1105.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01303	0.3
106.58411	0.2
123.00854	1.9
132.66132	0.2
138.03207	4.2
153.05539	6.7
153.09235	0.3
166.99850	1.8
181.01407	0.9
182.02202	22.7
193.05101	0.4
196.03763	4.8
197.04544	100.0
211.06117	8.9
224.03265	0.5
236.23686	0.3
239.05595	6.9
269.08176	0.5
279.59464	0.3
283.09482	0.3
284.10260	0.2
311.09250	1.4
328.09451	0.3
340.09616	1.8
343.11880	4.2
344.12430	0.3
355.11932	2.0
373.12634	0.4
407.13489	5.4
409.25787	0.2
521.18750	1.0
535.18207	5.3
537.19769	0.3
569.18756	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01377	2.2
85.02926	6.8
85.88216	1.3
89.02424	18.3
91.54482	1.4
95.01405	1.7
99.00872	1.7
101.02419	25.5
113.02441	17.4
119.03448	9.7
125.02334	1.4
129.01862	1.2
132.25122	1.1
143.03522	2.1
143.10732	5.9
153.30048	1.2
155.46313	1.1
159.02887	1.6
161.04524	14.0
171.41243	1.1
179.05576	30.3
179.21890	1.3
182.84827	1.3
188.01544	1.1
197.16455	1.0
285.11765	1.1
287.15018	1.4
305.15948	9.7
324.09857	1.2
325.10931	2.4
339.12186	1.3
340.13120	2.4
341.10275	36.6
347.17093	100.0
356.08673	1.9
356.12671	28.2
371.14990	39.3
511.07404	1.1
551.21375	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	1104.6597
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03434	0.5
82.61801	0.3
89.73026	0.3
93.03461	0.4
105.03446	5.2
109.11165	0.3
119.05000	26.0
123.04488	0.6
129.10323	0.4
130.79182	0.3
135.00938	0.4
145.02948	1.2
149.02425	43.5
163.04005	3.3
167.03456	3.8
175.04021	2.9
182.07390	0.3
183.08136	5.1
193.01395	3.2
212.30174	0.3
225.09215	10.3
225.16095	1.3
227.07132	5.2
251.07100	1.9
269.08185	100.0
313.07178	44.8
403.19516	0.3
624.77423	0.4
624.89386	0.3
790.58398	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	1104.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
80.66838	0.4
88.03568	0.4
99.05612	0.4
107.05027	0.5
113.45552	0.4
121.02935	1.6
133.02931	2.4
134.03708	0.8
135.04512	63.9
136.07690	0.7
148.05263	1.6
154.08727	4.2
161.02423	16.1
163.04044	0.5
179.05899	0.6
180.06662	0.7
190.05174	0.8
199.08678	2.3
204.06630	2.4
233.09323	0.7
239.11888	4.4
247.10857	2.1
251.14059	0.5
289.15598	3.1
290.16293	0.6
291.17130	6.7
306.18152	2.5
308.16919	0.6
308.19928	14.4
319.17938	0.5
332.16196	12.6
333.12027	0.5
333.16928	0.6
334.17715	37.6
335.20038	0.9
336.20712	0.7
344.72516	0.4
345.15158	0.9
346.15533	3.2
347.16736	0.5
359.14056	0.6
360.17203	10.3
361.18054	3.2
362.18744	50.8
373.15656	3.7
378.18149	0.9
380.19797	4.1
468.21112	2.7
470.22491	0.8
472.24588	0.8
482.20734	1.4
506.27100	0.5
545.30334	0.8
546.30377	0.8
571.28217	1.7
572.28845	2.9
662.14349	0.4
669.37805	6.7
695.35425	3.7
753.66113	0.4
791.26550	0.5
831.41077	0.7
849.42212	0.5
1030.49268	5.1
1060.49744	0.8
1074.48267	37.7
1104.49280	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	1103.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
92.19423	3.0
103.44650	2.3
148.04024	14.8
150.05576	3.5
161.04854	25.0
169.92923	2.4
175.05096	36.4
192.52769	2.2
200.07440	2.7
202.08720	4.6
203.04570	13.8
203.06305	2.5
216.06691	2.8
232.08543	14.3
233.09270	24.3
237.62840	2.1
244.09787	65.3
245.09300	4.4
287.10443	11.6
305.11368	9.9
338.11499	2.7
370.17435	3.5
468.17578	29.0
478.12195	2.7
605.26349	21.2
608.05487	2.5
635.27301	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	1103.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
87.78069	0.4
102.78531	0.5
121.02924	2.4
122.03616	0.8
123.00848	2.2
123.04537	0.6
138.03236	3.9
149.02422	2.1
150.03201	11.6
151.03992	2.9
152.13365	0.5
153.05540	8.6
164.04767	0.7
165.05545	63.7
166.99847	2.5
167.13564	0.6
180.04237	3.5
182.02211	26.0
195.06625	20.1
196.03802	1.9
197.04544	63.8
207.79030	0.6
224.03226	0.8
239.05585	4.8
286.08459	2.5
301.10760	3.8
307.13943	0.8
345.09799	5.4
393.11896	6.8
444.42682	0.5
469.19504	0.7
497.01779	0.5
511.20377	2.8
535.50122	0.6
547.19031	2.7
555.17206	100.0
709.10077	0.6
1042.23743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1100.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
78.72985	1.2
81.82414	1.1
82.04082	1.9
97.02927	6.3
119.24993	1.2
125.06069	28.8
125.69595	1.3
135.04501	7.4
147.09290	1.4
147.71449	1.1
148.34967	1.1
149.06071	2.5
161.02417	35.9
164.11893	5.1
166.08656	11.2
169.05063	7.6
179.03490	28.0
183.47469	1.2
190.09853	1.1
208.10899	72.4
230.18115	1.1
252.09869	100.0
341.08740	72.1
341.12033	1.2
415.52625	1.5
505.20544	55.6
521.50598	1.2
594.19629	2.0
607.73273	1.4
612.41400	1.3
727.57239	1.2
748.91315	1.2
758.30945	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	1101.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
77.99355	0.3
82.02978	0.7
85.02937	0.4
85.18777	0.3
101.02428	1.4
105.23526	0.3
112.04000	0.5
113.02362	0.4
129.05577	2.1
136.07657	0.6
147.04541	0.5
148.04030	12.4
148.05196	0.6
150.05574	6.4
154.05058	1.4
154.31480	0.4
160.04024	2.3
161.04797	26.7
162.05559	2.2
163.02637	0.4
164.03581	0.7
173.03523	0.8
174.04276	1.4
174.05606	0.5
175.05101	31.7
176.05858	2.1
177.06720	0.7
179.08276	0.5
186.05586	0.6
186.35764	0.4
187.06396	1.3
189.06711	1.5
190.07439	0.8
191.08203	1.5
201.09239	2.1
202.08759	4.9
203.04623	11.7
203.08257	0.9
204.06630	0.7
214.11194	0.4
215.05907	0.6
215.08102	0.6
216.06651	5.4
217.07462	1.7
217.09708	0.4
219.11349	0.6
226.08727	0.7
227.09502	0.6
228.06624	0.6
229.07356	1.5
231.07657	1.6
232.08521	9.5
233.09305	29.3
241.09573	0.4
242.10533	0.5
243.11398	0.6
244.09799	55.4
245.06859	0.7
245.09224	6.0
246.07791	0.7
247.08629	0.4
261.12360	0.7
263.10364	2.1
268.03812	3.1
268.08493	0.6
269.04538	20.6
269.09103	0.5
270.07526	0.4
271.08167	0.6
281.09457	0.4
285.08923	0.4
286.09686	4.3
287.07794	0.5
287.10379	7.2
287.13916	1.8
288.08743	2.1
295.10858	2.1
304.10696	0.6
305.11417	6.7
311.05505	0.6
312.13510	1.8
317.46216	0.4
338.11511	1.9
339.11829	0.5
370.17871	3.5
382.17673	0.7
400.18857	0.5
406.17731	0.6
424.19083	0.7
426.16391	0.4
442.19968	0.7
448.96701	0.4
467.16235	0.4
468.17734	26.8
472.20926	1.8
473.11047	5.1
473.23856	2.9
533.46545	0.4
605.26257	19.2
608.55322	0.4
635.27264	100.0
644.53937	0.4
704.34088	0.5
968.71777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1098.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
129.05560	1.4
147.39598	1.0
148.04037	8.9
150.05568	4.5
154.05052	1.4
155.08017	0.8
161.04784	17.9
162.05637	1.6
175.05104	23.5
175.06303	0.9
201.07895	1.4
202.08716	5.2
203.04628	9.6
204.06564	0.9
215.08209	3.1
216.06660	3.6
227.07191	1.1
229.07272	1.0
231.07509	1.0
232.08553	7.5
233.07219	1.3
233.09325	25.1
241.09821	2.0
244.09798	46.0
245.09293	5.8
259.10660	1.0
263.10248	1.5
285.08792	1.2
285.12222	1.1
286.09460	3.5
287.10312	4.8
287.13901	1.4
305.11371	6.1
338.11316	1.5
339.12302	1.0
370.17767	3.3
424.18570	1.3
442.19873	3.7
468.17767	22.1
605.26215	18.2
635.27264	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	1097.6786
Annotation	Unknow
Peak:m/z	Relative Intensity
76.71895	0.4
78.95878	1.5
81.55447	0.4
104.66397	0.4
105.20801	0.4
140.58679	0.4
152.99510	0.6
165.52988	0.5
168.04318	1.7
242.07927	2.0
249.32213	0.4
279.23285	100.0
338.03589	0.4
504.30984	41.4
519.27222	0.6
578.34692	23.0
578.43903	0.8
942.54840	0.4
953.76996	0.6
960.02216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6779
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95891	4.7
86.88654	0.4
92.19322	0.4
93.13312	0.4
109.13195	0.3
134.03459	0.4
135.02428	0.3
152.99574	1.5
167.71353	0.4
168.04282	1.9
172.92168	0.4
190.93456	0.4
224.06927	8.3
242.07954	1.8
242.46704	0.3
261.22189	0.4
279.23273	100.0
299.66403	0.4
303.80679	0.4
504.30975	47.7
578.34668	18.4
804.77386	0.4
891.28967	0.4
944.90778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
81.75377	0.4
82.02946	0.4
84.72906	0.4
108.81376	0.4
110.08517	0.4
112.02275	0.5
129.05608	0.7
138.09277	0.9
148.04028	7.2
150.05576	2.6
161.04800	14.4
161.07085	0.7
164.10834	1.0
167.58029	0.5
173.03456	0.6
174.05586	0.6
175.05118	17.5
175.06616	0.7
179.05780	0.5
187.06367	0.6
201.09369	0.7
202.08824	3.4
203.04639	7.7
208.09718	2.2
214.12399	0.5
215.06163	0.7
215.08215	6.3
216.06644	4.7
229.07220	0.5
231.07742	1.0
232.08441	7.1
233.09302	17.3
241.09807	3.9
243.11311	1.8
244.09792	41.9
245.09329	3.1
246.07793	0.7
255.11443	1.0
258.11362	1.0
261.12381	0.8
263.10376	0.9
269.09210	0.6
285.08701	0.9
286.09607	3.0
287.10413	4.7
287.13501	0.5
288.08914	0.6
303.09818	2.4
304.10303	0.5
305.11411	5.4
313.12051	0.6
335.39532	0.5
355.11618	0.8
356.12488	0.7
357.13309	0.7
362.18689	1.9
370.17627	3.1
380.19882	0.8
381.18231	0.6
382.17480	0.9
424.18784	2.2
442.19861	6.6
448.73294	0.6
472.20651	0.7
486.18820	15.8
623.27319	11.6
653.28290	100.0
869.90601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
76.50195	4.4
83.05013	44.2
101.02431	34.5
106.22506	4.2
113.02441	10.3
116.44350	4.7
118.62767	4.3
133.21886	4.8
153.09207	18.9
161.04524	10.5
165.05562	6.1
175.11264	38.6
179.10765	25.3
205.12468	7.7
224.06902	19.0
225.07619	70.5
239.09232	58.8
249.14981	66.1
435.16605	18.1
453.21448	61.7
455.22354	6.2
485.33145	5.4
597.21997	100.0
876.44769	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	1096.6915
Annotation	Unknow
Peak:m/z	Relative Intensity
77.97216	1.5
87.07836	1.6
90.34515	1.6
92.19376	2.0
121.89016	1.9
148.01266	1.9
149.66068	1.7
150.45801	1.6
279.23264	3.2
281.24847	100.0
303.23273	6.9
308.90271	1.9
342.56232	1.7
361.21317	1.9
506.32333	33.9
580.36157	17.3
1082.76050	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	1093.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
80.23042	1.1
92.19971	1.1
124.35254	1.2
148.04034	10.8
150.05569	6.5
160.03984	2.3
161.04788	31.3
162.05603	2.1
164.07095	1.3
173.03543	1.4
175.05107	36.4
176.06059	1.6
191.08292	2.2
202.03596	1.2
202.08778	5.2
203.04619	12.3
216.06674	4.7
232.08467	9.4
233.09306	29.6
238.59706	1.2
243.07727	1.8
244.09796	58.7
245.09286	4.9
286.09738	1.5
287.10489	8.9
288.08844	1.5
305.11438	6.2
338.11334	1.7
424.18845	1.5
468.17749	29.2
501.25006	13.0
591.25598	2.8
605.26147	20.2
635.27246	100.0
668.75775	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	1093.6472
Annotation	Unknow
Peak:m/z	Relative Intensity
77.89254	1.7
79.42395	1.7
81.52725	1.7
92.19978	2.2
93.29391	1.8
161.90488	1.7
277.21710	100.0
283.83527	2.0
398.38495	1.9
502.29379	51.5
514.85150	1.9
537.35596	2.3
576.33197	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	1093.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02414	0.3
101.02448	0.2
108.02154	15.1
120.01272	0.3
123.04501	12.8
152.01131	48.3
166.02692	1.2
167.03473	100.0
179.05656	0.2
181.05020	1.3
194.09570	0.2
346.14337	0.2
358.14142	0.2
361.16364	1.1
373.16531	0.3
391.17532	2.7
539.17700	60.2
589.98523	0.2
591.70795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02978	1.2
112.04038	0.6
125.14140	0.5
129.05556	2.3
138.09244	0.7
148.04033	12.7
149.04810	0.8
150.05557	5.8
153.84900	0.5
154.05046	2.0
155.68643	0.6
160.03975	3.0
161.04803	29.9
162.05544	2.4
169.21791	0.6
173.03577	0.7
173.06126	0.6
174.04295	1.2
175.05103	31.8
176.05884	2.4
177.06734	0.6
187.06346	1.0
189.06657	0.5
190.07439	1.0
191.08286	1.3
200.10748	0.8
201.09238	2.6
202.08778	6.3
203.04601	13.7
203.08234	0.7
204.06729	0.7
216.06596	6.2
226.08798	0.8
227.07152	0.6
227.09589	0.9
230.80635	0.6
231.07617	0.8
232.08505	9.3
233.09305	30.9
242.08112	0.9
243.08463	0.5
243.11325	1.1
244.09804	59.8
245.09221	5.9
261.12338	1.2
263.10333	3.2
268.08835	0.6
271.08505	0.8
285.08585	0.5
286.09433	3.1
287.10379	7.3
287.13736	0.9
288.08820	2.1
295.10904	2.0
305.11356	8.0
312.13547	1.2
336.38855	0.6
338.11395	2.1
339.12186	1.2
370.17453	3.9
382.17935	0.7
412.85156	0.6
424.18686	0.9
442.19812	0.8
468.17691	28.3
472.20975	2.3
521.58698	0.6
605.26208	21.5
635.27264	100.0
967.92639	0.7
1073.49011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.6584
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95882	0.5
99.92582	0.8
152.99498	0.8
153.49031	0.6
157.96913	0.5
168.04335	0.7
188.12512	0.5
227.89316	0.5
242.08011	2.7
245.83015	0.5
277.21643	4.1
279.23270	100.0
424.07748	0.5
504.30994	36.2
513.30402	0.7
578.34778	17.6
823.06830	0.6
929.67413	0.5
1092.52820	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	1091.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02918	0.5
86.74941	0.3
87.00856	4.6
89.02435	2.1
95.01362	1.2
101.02426	6.6
107.08679	0.4
113.02428	2.8
117.60251	0.3
119.03461	1.5
123.00854	2.6
125.02454	0.3
135.08136	0.4
138.03244	3.9
143.03435	0.6
153.05574	7.2
153.09196	19.7
161.04585	0.4
166.99731	1.1
167.10814	0.3
176.14793	0.3
179.05663	1.0
180.04318	0.3
181.01414	0.5
182.02200	25.5
185.17557	0.3
195.22270	0.3
196.03773	3.9
197.04555	100.0
211.06123	9.1
224.03281	1.2
239.05641	7.0
285.84341	0.3
323.09851	1.4
407.13599	6.6
521.18762	54.7
569.18793	63.9
635.46423	0.3
928.23230	0.4
1044.43823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
83.54424	0.5
95.24839	0.5
112.04036	0.8
129.05554	2.2
136.07648	0.7
138.09245	0.7
148.04056	12.5
150.05579	6.5
154.05066	1.0
160.04012	1.2
161.04816	25.5
162.05605	1.2
164.03473	0.9
173.03516	2.3
175.05106	29.3
176.05838	1.2
191.08304	2.3
201.09415	1.7
202.03958	0.7
202.08751	4.9
203.04637	11.7
204.06558	1.0
216.06625	5.0
219.11362	1.0
227.07175	0.7
229.07503	0.7
231.07761	1.1
232.08537	9.2
233.06940	1.0
233.09297	29.3
241.09674	0.9
243.09026	0.6
243.11360	2.0
244.09824	51.9
245.07068	0.9
245.09164	5.5
246.07730	0.8
263.10373	2.1
270.07791	0.7
276.87759	0.5
286.09671	3.8
287.10403	7.3
287.13660	1.3
288.08698	1.1
290.31934	0.5
295.10721	1.1
304.10843	0.8
305.11407	5.5
312.13449	3.0
313.53485	0.5
338.11383	2.8
339.12234	0.9
370.17697	3.2
442.20056	1.0
468.17767	28.0
472.20871	1.1
568.86755	0.6
605.26276	17.9
635.27252	100.0
709.95227	0.7
1059.32214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
77.59035	1.1
82.28584	0.9
83.01385	3.8
83.36002	0.9
85.02926	1.1
94.21057	0.9
98.18000	0.9
101.02435	13.9
106.79674	1.1
112.51242	0.9
113.02406	6.6
116.05097	1.2
119.03517	1.6
124.57004	1.0
125.02386	1.2
131.03400	1.0
143.03458	1.5
149.04549	5.9
161.04535	9.8
175.63771	0.9
203.08253	6.0
221.06651	18.4
245.09262	7.8
285.11276	4.1
306.68073	1.0
313.10776	5.6
323.09705	2.3
324.10043	6.3
325.10928	7.4
326.08051	1.8
326.11536	7.7
339.12296	4.0
340.13138	6.0
341.10291	84.2
356.12653	80.5
359.15045	2.1
365.10858	1.2
371.14990	100.0
469.20581	2.2
593.22656	14.6
755.27557	1.2
920.21204	1.2
992.28131	1.0
1002.71667	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	1088.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
78.72282	0.6
84.96480	0.6
90.60524	0.6
92.50938	0.6
109.02956	0.7
121.02929	2.7
135.04512	34.6
136.07648	1.2
142.73015	0.7
161.02437	1.5
162.05577	0.9
163.04007	2.6
199.08752	0.9
239.11845	2.9
249.12511	4.5
261.53073	0.7
263.14212	1.3
277.15695	1.4
291.17105	6.3
308.19870	21.2
319.18015	0.7
333.12177	7.4
334.17725	17.9
335.18936	1.0
345.14871	1.0
346.15524	2.5
350.20865	12.0
359.13840	0.8
360.17252	3.9
361.18127	1.6
362.18738	38.1
373.15598	11.3
380.19806	3.0
442.01950	0.7
470.22714	2.7
471.23834	0.9
472.24521	45.7
709.34814	1.4
710.35828	1.1
833.41992	3.9
895.41046	0.8
925.43994	0.8
1014.48907	2.6
1044.50317	0.8
1055.44153	0.8
1058.48840	33.4
1088.49792	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	1087.7173
Annotation	Unknow
Peak:m/z	Relative Intensity
129.73593	1.3
133.05309	2.6
134.06081	12.7
148.74544	1.4
153.06706	1.6
157.13414	2.3
160.04022	3.0
166.19420	1.3
195.03986	1.3
223.14491	8.6
230.11862	2.2
245.12857	5.8
247.14499	55.7
267.70047	1.4
294.86636	1.6
320.27200	1.7
342.14545	15.8
358.21344	12.2
385.19995	7.9
499.32895	100.0
514.28900	6.0
573.36749	36.5
631.73053	1.3
679.98315	1.6
1120.24194	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	1087.7167
Annotation	Unknow
Peak:m/z	Relative Intensity
102.46832	0.6
130.08716	3.0
130.39590	0.6
133.05333	3.0
134.06111	13.8
140.07156	0.6
153.06660	0.9
155.08247	1.3
157.13460	2.7
160.04053	2.8
206.11809	1.1
223.14500	7.9
228.10323	2.2
230.11829	2.9
243.70421	0.6
245.12904	4.1
247.14502	50.8
273.12335	4.4
275.21417	0.9
320.27106	1.0
341.18735	2.4
341.96915	0.6
342.14584	11.9
358.21408	11.0
361.21606	0.8
368.19629	1.2
385.20258	6.6
386.20746	1.4
454.26712	2.3
472.28220	2.3
499.32913	100.0
514.29279	5.6
573.36584	40.1
573.45801	1.1
644.03711	0.7
644.92767	0.7
987.58972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1086.6339
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02938	1.5
89.02435	7.5
92.10645	1.3
101.02418	15.0
112.07655	2.5
113.02426	9.3
113.56770	1.5
119.03455	7.6
129.10306	2.5
130.08687	10.0
158.71686	1.5
160.07600	1.7
161.04460	1.6
168.77141	1.4
207.14943	2.9
225.16139	14.4
304.11905	9.3
322.13062	9.2
337.26096	2.7
338.24399	2.5
364.14005	39.8
433.31873	3.1
544.03235	1.6
659.48901	5.6
677.49640	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	1079.7423
Annotation	Unknow
Peak:m/z	Relative Intensity
81.78350	0.7
113.08009	0.8
130.08754	0.9
137.18568	0.7
167.59384	0.8
179.02567	0.8
225.15997	1.5
226.16345	1.1
269.08347	0.7
289.62646	0.7
338.24646	1.3
1018.76038	1.3
1019.75787	13.3
1079.74426	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	1086.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
75.09047	0.5
92.19418	0.9
97.38710	0.6
109.94058	0.6
116.62325	0.6
121.02959	1.4
122.01292	0.6
133.02946	3.2
134.03746	2.7
135.04512	86.4
136.07645	3.2
140.59801	0.7
148.05295	1.6
153.26248	0.6
161.02434	18.3
161.04605	0.6
162.05582	2.4
167.31677	0.6
190.05139	0.7
199.08685	1.1
204.06613	1.2
239.11905	4.6
247.10814	3.1
289.15616	2.7
291.17090	8.0
306.18152	4.1
308.19916	18.7
319.18176	0.7
332.16171	13.3
334.17706	44.9
335.20117	0.8
345.14810	3.2
346.15668	4.4
360.17218	11.4
361.17944	3.1
362.18735	49.5
373.15497	4.8
380.19836	4.3
468.21933	0.9
470.22971	0.9
572.28516	3.1
627.08392	0.7
669.37811	9.4
687.39136	0.7
695.36102	3.9
829.22577	0.8
831.41620	1.0
849.40497	1.5
875.40363	0.9
893.41162	4.5
917.59204	0.6
923.41376	2.3
1012.48694	6.6
1042.50220	1.1
1056.23474	0.9
1056.47119	54.4
1086.48279	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	1079.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
88.71791	0.4
89.02401	0.5
94.55244	0.4
101.23444	0.4
108.02159	14.5
123.04509	13.7
141.71474	0.4
152.01138	47.6
167.03481	100.0
177.40590	0.5
181.05052	0.7
189.36008	0.4
250.91270	0.4
322.95010	0.4
539.17743	60.6
622.67188	0.5
630.01697	0.4
651.55273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1076.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
77.12941	0.7
79.53050	0.7
83.26524	0.7
92.20006	1.2
97.05315	1.1
118.06590	0.9
119.04991	1.2
141.06705	0.8
146.06145	3.0
147.04509	5.7
163.03964	1.7
164.07187	6.8
180.06665	13.2
189.06676	1.8
191.08299	1.3
200.11026	2.2
201.10298	0.8
221.09357	1.3
225.16148	1.1
227.11896	3.1
243.11346	3.5
244.09593	1.6
245.10535	3.8
250.22681	0.8
266.11905	1.5
271.18024	0.7
283.14490	0.9
299.16776	0.7
314.18829	3.1
327.13580	6.3
329.16513	3.1
447.21646	39.3
448.22342	4.7
461.83630	0.7
462.24023	100.0
554.23010	59.2
608.33612	1.0
957.65948	0.8
1016.74646	4.6
1017.47571	12.0
1032.48462	1.4
1076.47461	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	1076.7705
Annotation	Unknow
Peak:m/z	Relative Intensity
75.17185	0.2
75.35133	0.2
84.53624	0.2
92.64296	0.2
94.61762	0.2
95.05003	1.1
99.84718	0.2
112.07658	7.1
113.06061	2.5
113.20252	0.2
129.10335	4.5
130.08722	11.6
140.60071	0.2
197.16710	0.2
207.15033	4.3
208.13374	0.9
222.53737	0.2
224.17657	3.0
225.16089	24.6
225.81293	0.2
242.18787	0.9
243.17372	0.3
270.97949	0.2
320.23389	2.8
337.26096	3.3
338.24509	10.6
338.28436	0.5
410.72205	0.3
412.53406	0.3
433.31964	3.0
444.19705	0.3
450.34525	3.6
451.32925	6.4
462.24039	0.3
546.40491	2.2
563.43066	2.0
564.41345	3.3
659.49188	1.1
676.51202	1.8
677.49707	1.8
772.55988	0.4
789.59076	1.1
790.58514	0.4
885.64783	0.3
998.73358	2.1
1016.74957	100.0
1076.76880	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	1076.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
76.59281	0.5
86.11431	0.4
90.26596	0.4
93.03372	0.5
118.06632	1.7
119.05037	1.7
134.06119	1.0
146.06120	3.4
147.04503	4.1
158.06119	0.4
162.05608	0.6
163.04022	0.9
164.07175	7.0
180.06676	12.9
182.09750	0.7
186.05586	0.6
189.06738	3.5
191.08235	2.3
200.10799	3.1
201.10318	2.4
215.11874	0.8
218.06943	0.8
221.09259	0.9
225.10255	0.5
226.08728	2.1
227.11868	3.2
238.10931	0.9
240.13933	0.6
243.11359	2.7
244.09798	2.1
245.10565	6.0
246.11320	0.9
266.11829	4.1
271.18091	0.9
283.14536	2.0
285.14697	0.6
300.17166	0.7
309.12473	0.8
314.18750	3.1
327.13525	5.0
329.16650	4.0
388.20490	0.7
389.14951	0.9
391.16635	0.6
418.25272	0.9
447.21664	37.3
448.22467	5.5
462.24014	100.0
554.22980	59.8
572.24219	0.9
599.28204	0.5
846.66949	0.6
1017.47858	10.3
1076.55591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.5334
Annotation	Aeruginopeptin 917S-B
Peak:m/z	Relative Intensity
83.01388	1.8
83.02979	0.3
85.02936	6.3
87.00850	2.0
89.02431	18.5
94.29642	0.4
95.01369	3.4
97.02889	0.7
99.00851	0.8
101.02425	14.6
103.03969	0.6
112.01656	0.7
113.02437	18.4
115.03967	2.6
119.03475	7.7
125.02416	1.5
131.03493	2.1
143.03456	3.6
145.05038	0.5
163.06119	0.6
205.07227	0.7
229.70811	0.5
312.70633	0.4
425.30508	1.7
447.24597	0.4
634.38367	0.5
699.39532	0.5
755.42413	0.4
913.48395	2.4
929.47534	2.1
1075.53284	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	1074.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
75.52542	0.5
77.36237	0.6
77.66076	0.5
78.98582	0.6
79.95753	0.7
80.96506	14.2
87.00842	1.0
94.98068	4.9
106.98066	0.8
122.68491	0.5
122.97577	1.2
125.02418	1.3
134.97543	1.1
148.99124	2.3
152.98546	4.0
164.98567	8.8
182.99620	0.8
205.23764	0.6
206.99609	2.3
219.68990	0.6
224.98506	1.0
225.00722	23.3
242.07912	0.8
243.01776	2.2
255.23346	4.1
255.25830	0.6
279.23306	15.5
280.23642	7.2
299.04425	3.5
305.33417	0.5
435.58038	0.6
504.30850	3.4
505.31244	5.2
554.30157	2.6
555.28430	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	1073.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02903	1.0
89.02418	6.9
101.02437	5.8
113.02437	3.3
113.73058	0.7
119.03493	3.3
125.02418	1.1
131.03476	1.4
161.04523	3.1
164.06447	0.9
179.05640	1.1
221.06581	3.8
353.24503	0.9
371.25854	7.6
457.33374	3.5
481.33255	11.8
499.34213	10.9
525.32239	0.8
532.92761	0.7
543.33350	17.8
585.34113	0.8
597.16870	0.7
721.73096	0.8
873.87787	0.7
880.95215	0.8
1029.49048	100.0
1073.47046	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	1073.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00909	0.7
77.73238	0.6
79.14991	0.7
83.01379	3.4
85.02933	13.5
87.00861	1.2
89.02442	12.6
95.01375	3.2
97.02930	0.8
99.00864	6.2
101.02422	32.3
113.02427	26.9
119.03483	4.6
123.64449	0.7
125.02406	0.8
141.19540	0.6
143.03500	3.0
151.88351	0.7
159.02974	4.7
161.03316	1.3
161.04547	22.1
315.18118	18.8
357.19174	100.0
401.18097	3.9
425.20645	0.7
585.39044	19.3
587.38013	0.8
627.40027	4.3
893.38477	0.9
991.17493	0.9
1030.66162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0501
Annotation	o-Cresol
Peak:m/z	Relative Intensity
55.67252	0.2
55.70104	0.2
58.89361	0.2
60.10764	0.2
70.09392	0.2
77.76953	0.2
95.05005	1.0
96.71804	0.2
106.04227	3.8
107.05015	100.0
111.16110	0.2
123.04505	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	1072.7149
Annotation	Unknow
Peak:m/z	Relative Intensity
81.22304	1.1
89.02423	1.3
101.02420	2.8
113.02423	1.5
143.50839	1.2
250.35246	1.4
253.09305	6.2
279.23288	100.0
281.24744	2.0
348.78247	1.4
455.29800	2.5
469.05624	1.3
482.35260	1.8
487.75244	1.4
497.31277	12.5
515.32306	19.0
556.38422	2.1
573.74902	1.3
595.69556	1.4
764.76056	1.8
840.72626	1.4
843.71808	1.6
877.37592	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	1069.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01369	1.2
85.02939	3.9
87.00871	2.9
89.02431	15.6
95.01367	1.7
97.02922	2.0
99.00865	2.1
101.02429	16.7
113.02425	10.2
119.02699	0.4
119.03495	6.3
125.02418	5.0
131.03487	4.5
143.03491	2.5
149.04527	0.4
161.04532	7.3
179.05586	4.4
203.05580	0.7
221.06670	8.6
245.06618	2.5
252.79247	0.3
263.07581	0.6
275.20203	2.8
317.21344	1.2
335.22302	15.3
345.99741	0.3
383.11942	2.7
407.11871	0.7
479.26544	6.0
497.27594	12.5
539.28522	0.7
590.71863	0.3
631.39795	0.3
732.59137	0.4
924.52893	0.4
965.42499	0.4
983.45111	0.3
1025.44458	100.0
1069.43762	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	1069.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
79.45795	0.5
83.01367	1.0
85.02934	4.2
87.00850	1.9
89.02429	20.8
95.01359	0.6
97.02936	1.1
99.00857	2.5
101.01785	1.0
101.02427	21.8
111.00900	0.5
113.02424	13.3
115.09202	0.4
119.03481	10.4
125.02418	7.5
131.03481	5.3
141.01932	0.8
143.03502	4.5
155.29834	0.5
159.02963	1.0
161.04541	13.6
167.03426	0.7
178.42798	0.5
179.05602	7.6
189.24698	0.5
203.05592	0.9
212.69040	0.5
221.06647	9.9
243.66734	0.5
245.06587	2.9
263.07767	0.6
288.23987	0.6
323.09839	2.6
335.22284	84.0
341.11279	0.6
360.09015	0.7
383.11972	7.4
418.27310	0.6
527.16296	0.9
603.62799	0.6
629.19275	3.1
647.20422	0.6
689.21259	0.8
863.39215	2.7
965.42633	6.2
983.43207	4.2
1025.44446	100.0
1069.44043	8.4
1098.70911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.6824
Annotation	Unknow
Peak:m/z	Relative Intensity
74.07727	1.9
83.01385	2.2
84.29295	1.9
89.67392	2.1
101.61047	2.0
129.52322	2.0
198.17641	1.8
227.91183	2.3
253.09270	9.2
277.21695	100.0
279.23145	8.7
283.79303	2.2
336.03125	1.9
341.77005	2.1
484.75705	2.2
495.29678	11.9
513.30823	20.2
911.86102	2.1
1002.95184	2.4
1033.26038	2.4
1093.00061	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	1067.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02934	1.8
89.02425	22.1
101.02428	18.3
102.90278	1.3
106.14730	1.2
113.02428	8.5
119.03467	8.0
125.02397	7.3
131.03493	5.7
143.03540	2.9
161.04500	9.4
179.05560	6.6
206.72173	1.2
221.06653	10.0
253.52567	1.2
263.87982	1.3
330.84793	1.2
333.20728	100.0
365.10648	1.5
383.11899	6.0
629.19293	2.2
811.36053	1.4
963.41095	6.7
981.40771	1.5
1023.42767	96.3
1067.41895	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	1067.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
88.78844	0.5
101.32278	0.4
151.21461	0.4
168.96521	0.4
197.04578	0.9
297.07629	2.2
311.05609	2.2
323.05539	2.0
325.07150	5.2
337.07278	0.6
351.04901	0.7
353.06683	54.5
365.06638	5.3
379.08057	0.5
383.07751	45.7
395.07828	3.3
397.09232	0.5
407.07703	1.8
413.08957	3.4
425.08960	6.2
443.09991	6.0
459.22418	1.8
473.11081	7.2
485.10840	0.9
503.12289	4.8
545.12689	1.1
563.14063	100.0
768.44757	0.5
935.91779	0.5
995.08997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
74.29668	1.0
75.00863	13.8
77.36396	0.8
85.02937	12.9
87.00883	1.1
89.02438	7.7
95.01350	1.7
99.00867	5.4
101.02428	8.2
113.02428	18.0
115.00330	1.7
128.58971	0.9
156.24321	1.1
161.04739	1.6
175.04970	0.9
244.09787	1.6
367.79163	0.9
461.32657	5.3
482.17682	1.0
531.55469	1.0
605.37317	1.7
623.37860	2.1
635.27222	3.4
647.38287	2.0
665.38873	10.4
711.38434	1.1
737.41791	1.4
756.41113	1.0
779.41882	4.3
845.44513	1.0
979.46851	1.9
1021.48572	100.0
1065.47546	42.9
1071.01758	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	1065.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
73.93716	0.6
75.00860	10.6
83.01363	1.4
85.02949	11.7
86.61372	0.8
87.00851	1.6
89.01435	0.7
89.02443	2.8
90.13554	0.7
92.19364	1.0
99.00856	4.5
101.02422	8.0
113.02421	14.8
115.00319	0.8
129.01825	0.8
131.06598	0.7
152.50935	0.8
192.88550	0.7
197.11967	0.8
198.47101	0.7
461.32581	4.1
605.37030	1.4
623.37836	7.6
737.41351	4.5
755.42499	1.2
790.58264	1.7
803.44720	0.9
979.47559	3.1
1021.48523	100.0
1065.47607	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	1063.6729
Annotation	Unknow
Peak:m/z	Relative Intensity
103.83875	1.0
114.66918	0.8
133.05284	2.3
134.06119	15.5
142.94850	1.0
153.06671	1.0
157.13394	1.3
160.04016	2.0
223.14427	6.8
230.11649	1.0
245.12910	2.2
247.14510	59.8
251.17656	1.0
269.08963	0.9
273.12454	4.3
320.26932	1.4
341.18768	3.9
342.14606	17.8
347.36630	1.3
355.34189	0.9
358.21457	18.0
363.50818	1.0
385.19870	8.7
454.26910	2.3
490.24741	9.1
499.32944	100.0
549.32129	36.3
802.81921	1.1
886.98181	1.0
1063.35767	1.1
1093.67322	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	1064.514
Annotation	Unknow
Peak:m/z	Relative Intensity
85.41859	0.9
88.36244	0.9
94.24448	0.7
114.78929	0.9
117.67801	0.9
136.07677	9.3
162.05562	3.9
199.08807	5.7
203.17819	1.0
205.14886	0.8
213.13841	1.5
239.11894	42.7
308.17651	16.0
320.17651	1.2
333.14975	1.4
336.20786	5.7
344.17307	0.8
345.15002	1.2
360.17102	3.3
362.18738	62.4
380.19812	45.0
406.17532	4.8
424.18607	1.8
454.19745	1.5
582.86163	1.0
587.25336	8.5
606.26221	1.1
617.26184	100.0
631.28088	1.1
952.57739	1.1
1051.93591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00859	15.2
85.02934	13.4
87.00852	3.2
89.02424	8.1
95.01360	1.2
96.14075	0.8
99.00881	6.3
101.02430	7.6
113.02425	20.8
115.00355	1.0
117.01945	1.1
119.03436	1.7
122.85116	0.7
149.29645	0.7
154.45178	1.0
173.04434	0.9
233.65402	0.7
351.48007	0.7
426.23004	0.7
441.29831	1.3
459.30890	1.4
465.19687	7.3
467.20468	0.8
603.34906	0.8
621.36462	5.2
663.37384	9.2
735.39325	1.5
746.58759	0.8
843.45160	1.0
1019.46979	100.0
1063.46191	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.6727
Annotation	Unknow
Peak:m/z	Relative Intensity
122.74966	0.9
125.05650	0.7
133.05301	3.0
134.06116	13.3
135.98282	0.9
153.06656	1.5
157.13422	3.8
160.04015	3.0
176.98701	0.9
206.11928	1.7
207.12672	1.1
208.25986	0.7
223.14505	9.3
228.10277	1.3
230.11819	1.9
245.12959	3.4
247.14507	65.7
251.17563	1.1
273.12350	1.7
320.27115	3.0
341.18787	1.7
342.14682	16.5
358.21359	16.9
364.26361	0.9
385.20078	11.0
454.27032	1.3
490.24930	9.6
499.32913	100.0
549.32135	36.1
859.79602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
82.79129	0.4
83.01361	0.5
85.02941	1.0
87.00856	0.7
89.02422	6.3
92.19997	0.8
93.03458	0.5
99.62768	0.4
100.10448	0.4
100.11111	0.4
101.02409	6.8
113.02419	2.8
119.03456	3.2
121.02924	0.7
122.15298	0.5
125.09707	8.3
127.04075	0.4
135.04503	5.3
153.05554	0.6
153.09196	11.3
155.10811	2.0
165.05530	2.5
167.10800	3.1
167.52415	0.4
169.08698	1.7
171.10254	28.5
182.02170	2.0
182.28767	0.4
197.04573	8.5
197.06294	0.7
197.08170	5.7
211.09773	0.6
213.11310	1.1
215.09250	24.6
239.09200	1.7
257.10153	3.7
263.51764	0.4
271.09363	0.4
280.66861	0.4
333.15546	3.6
359.13477	2.8
377.14526	100.0
525.16064	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	1061.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	2.0
85.02937	8.9
87.00840	1.6
89.02426	15.1
95.01378	1.5
99.00854	2.0
100.73633	1.4
101.02422	25.6
113.02445	14.5
119.03494	6.2
125.02407	3.3
131.03542	1.7
143.03552	1.9
153.51680	1.2
161.04533	7.9
221.59361	1.7
309.47012	1.4
346.26361	1.6
356.10104	1.7
884.66803	1.6
999.47888	10.6
1017.49359	17.8
1061.48132	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	1059.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
76.91376	0.2
83.01378	1.9
85.02937	5.8
86.00072	0.2
87.00864	2.8
87.04493	1.1
89.02430	13.3
95.01373	1.1
97.02944	1.4
99.00856	0.9
101.02429	20.8
103.04003	3.2
111.00833	0.2
113.02439	9.5
115.03983	4.3
119.03476	4.8
125.02435	1.4
127.04019	0.4
131.03479	3.9
143.03496	6.5
145.05032	0.9
161.04503	0.8
163.06142	1.4
179.33055	0.2
205.07137	1.8
334.67319	0.2
405.93988	0.2
407.29675	0.2
423.24207	0.2
425.30719	0.7
569.34772	0.3
642.54053	0.2
731.39685	0.2
805.98663	0.2
913.47717	1.8
929.12701	0.3
950.60883	0.2
977.37488	0.2
1059.53821	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	1060.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
75.75438	0.2
79.95725	2.8
82.02985	0.2
83.01357	0.4
87.05629	0.5
88.04018	3.6
89.02432	0.4
91.30484	0.2
96.95991	28.1
98.02427	0.2
100.04035	5.5
101.02431	1.5
104.54429	0.2
109.04015	0.4
110.06113	0.2
112.04038	1.6
113.02328	0.3
114.01916	0.5
119.03494	0.3
124.03990	1.8
125.02399	0.3
126.05580	1.9
127.05110	1.8
127.08727	0.5
128.02591	0.5
128.03516	10.5
128.07159	0.4
129.06671	2.9
136.03992	0.3
137.13899	0.2
138.05598	0.5
141.06677	0.5
142.05087	2.1
143.08258	1.8
145.06186	0.6
148.86903	0.3
153.06612	0.3
154.05077	1.7
155.08197	0.3
155.11885	0.3
156.11394	0.9
159.07658	0.5
160.06081	1.0
166.05038	1.5
171.07698	2.5
172.10927	0.3
181.06097	0.3
181.09818	0.3
184.06166	2.8
185.09334	0.3
189.08850	2.3
193.09816	0.3
195.11363	0.5
198.12491	0.4
199.07201	0.9
199.10887	0.4
200.05736	0.2
202.07205	5.2
207.07825	0.3
212.14032	0.9
216.13458	1.3
220.10966	0.3
221.09348	1.0
221.31664	0.3
225.08762	1.1
226.12038	0.4
228.13564	1.8
237.08875	0.3
238.11966	5.4
239.10452	0.6
242.11458	1.1
244.13019	0.3
256.13000	1.2
260.12527	3.6
264.09854	0.4
273.10876	0.4
276.10837	0.3
282.10922	5.2
283.17764	1.2
300.12082	0.9
310.13892	0.5
327.16754	1.2
345.13196	0.5
355.19925	0.3
371.15683	2.8
389.16788	1.1
405.15247	0.3
434.45248	0.2
457.19656	0.5
495.98981	0.2
530.20050	0.3
548.21564	0.3
590.22272	1.1
700.26904	0.2
702.28345	1.8
846.32306	0.3
944.36456	0.4
962.38416	100.0
1060.35828	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	1059.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
74.96695	0.3
75.29748	0.3
79.06039	0.3
85.02934	0.3
93.03434	28.2
100.99625	0.3
101.02412	1.1
113.02428	0.4
127.31673	0.3
137.02426	100.0
189.50104	0.3
192.67715	0.3
299.07706	36.4
651.37042	0.3
949.11426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
73.93760	0.4
76.67232	0.5
87.00872	1.1
89.02448	2.7
94.62763	0.5
99.95000	0.5
101.02439	3.0
109.02932	0.5
113.02425	0.5
121.02956	3.0
122.03766	0.6
123.04528	2.0
135.04515	2.0
145.04977	0.5
149.05998	0.6
150.06880	0.6
152.04767	0.9
153.09204	8.3
162.06821	1.8
164.04799	2.6
165.05515	8.0
179.05742	0.7
179.07089	4.6
180.07895	0.9
220.07350	0.9
221.08308	0.6
223.06099	1.9
223.09679	0.6
235.09718	0.8
259.09824	5.3
268.07510	1.0
270.08960	0.6
271.09750	52.3
283.09769	11.2
285.11328	5.6
289.10849	4.2
297.11270	2.2
298.12091	3.0
299.12833	0.6
301.10794	28.9
313.10849	17.8
315.12411	3.3
325.10797	9.7
340.09412	1.0
341.09958	0.7
343.11853	19.7
344.12131	1.0
345.09460	0.8
345.13187	10.0
355.11786	1.1
356.12485	1.0
357.13455	15.2
375.14496	94.8
521.18781	20.0
535.18561	1.7
536.18536	2.4
537.19781	100.0
616.01001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
110.79369	0.7
136.07652	3.9
138.09238	2.9
161.07227	3.4
162.05568	3.2
164.10788	4.1
173.07225	2.3
190.12076	0.6
208.09799	7.4
214.12459	0.8
215.08264	35.3
215.11818	3.1
229.13504	0.8
233.06978	0.7
233.09280	22.0
238.10765	1.5
241.09793	22.8
243.11363	4.9
244.09715	0.8
247.83949	0.6
255.11436	7.2
258.11633	0.7
259.07230	1.3
259.10800	6.0
261.12302	0.9
273.12390	1.5
285.08899	4.6
303.09875	12.1
305.11569	0.7
362.18719	4.8
380.19928	3.4
396.15521	2.5
406.17801	1.1
410.20786	0.8
424.18842	1.5
442.19656	6.8
454.20047	0.8
472.21222	0.7
635.27252	100.0
1067.36768	0.7
1074.63489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
74.59957	0.3
82.02995	1.2
89.02420	0.3
112.04041	0.5
113.02521	0.3
124.03974	0.3
129.05585	1.7
136.04080	0.3
136.07698	1.1
138.09258	1.1
148.04037	10.7
149.04810	0.4
150.05597	5.3
152.18039	0.3
154.05078	1.8
160.04018	2.8
161.04810	24.1
162.05626	1.8
164.03627	0.3
164.07228	0.3
173.03546	1.3
173.05936	0.3
174.04340	1.2
174.05617	0.9
175.05107	29.8
176.05902	2.1
177.06683	0.5
179.08287	0.5
187.06415	1.0
189.06715	0.6
189.10356	0.3
190.07483	0.6
191.08217	1.2
192.03212	0.3
201.09396	1.9
202.03824	0.6
202.07188	0.3
202.08781	5.5
203.04622	12.5
204.06706	1.0
208.09769	0.4
213.06721	0.4
215.06140	0.5
215.08296	1.6
216.06665	5.0
216.10204	0.4
217.07462	1.4
217.09703	0.4
219.11343	0.5
226.08693	0.5
227.07074	0.9
227.09410	0.5
228.06673	0.6
229.07423	1.1
231.07799	1.3
232.08524	8.7
233.09296	28.3
241.09842	1.4
242.08371	0.8
242.10597	0.4
243.07616	0.3
243.11481	1.2
244.09802	51.1
245.06940	0.6
245.09282	5.8
246.07736	1.3
258.11307	0.4
261.12454	0.6
262.09653	0.3
263.10309	2.8
268.08340	0.3
269.09299	0.3
271.08459	0.4
285.08847	1.2
286.09586	4.2
287.10410	7.3
287.13937	1.0
288.08777	1.5
289.09531	0.5
295.10767	1.8
303.09814	1.0
305.11404	5.3
312.13773	1.8
313.12082	0.5
337.10498	0.4
338.11548	2.4
339.12357	1.1
339.16855	0.3
341.15219	0.3
362.18832	0.4
370.17615	3.1
380.19443	0.4
381.18155	0.5
382.17621	0.5
400.18671	0.6
406.17804	0.5
416.03812	0.3
424.18723	1.7
442.19693	1.9
449.16174	0.3
459.65399	0.3
468.17719	26.6
472.20544	1.7
605.26166	19.2
617.25787	0.3
635.27271	100.0
636.27271	1.3
637.27539	0.4
834.74756	0.3
909.41791	0.3
969.40552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02419	0.8
89.67776	0.6
90.92516	0.6
99.50312	0.5
113.02410	0.7
121.55535	0.6
148.05304	6.6
149.06190	0.6
160.05275	5.6
161.06117	1.1
162.03247	4.1
163.04016	11.2
165.14874	0.6
175.07646	1.2
177.05533	3.2
178.06317	3.4
180.04260	3.7
192.04176	1.2
204.04256	4.7
205.04974	4.1
207.03079	1.0
222.05334	3.8
224.03258	1.1
236.06960	0.5
250.96539	0.5
254.04211	3.7
281.08255	0.9
284.10446	4.7
296.10529	7.6
299.12863	24.4
311.09363	0.7
311.12872	16.4
314.11707	1.3
329.13947	41.5
340.09589	0.8
355.11807	4.3
373.12924	100.0
521.21381	2.6
535.18597	2.7
682.17126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
91.03043	0.4
92.19988	1.1
93.03436	10.6
101.02411	0.8
112.07973	0.5
113.28210	0.4
131.97205	0.4
132.40967	0.4
137.02397	4.5
209.06068	0.6
210.06798	0.6
211.07646	18.5
223.07617	19.2
233.04846	0.4
254.05846	1.6
255.06630	100.0
267.06628	78.5
285.07706	10.7
285.16083	4.5
307.13727	0.5
359.44839	0.4
441.18259	0.5
447.12985	64.6
609.18341	2.1
609.26624	0.5
835.22211	0.6
1057.40576	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	1054.7249
Annotation	Unknow
Peak:m/z	Relative Intensity
82.08357	0.3
84.46471	0.4
91.04681	0.4
109.51756	0.4
169.08791	0.4
192.06660	0.4
215.56499	0.4
225.16086	1.8
242.29971	0.4
256.58398	0.4
280.50409	0.4
338.24280	0.5
535.49469	0.5
593.43665	0.5
1054.72705	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	1055.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
77.06165	0.6
86.15048	0.7
92.19408	1.2
96.04608	0.7
98.06097	1.8
110.06110	1.1
116.05035	9.8
124.07663	12.9
137.04797	2.7
155.05908	2.9
157.07719	5.5
165.05588	1.4
187.12335	8.0
203.08278	3.0
225.10083	0.8
226.20647	0.8
239.11919	3.3
284.11493	1.2
302.38736	0.7
330.45789	0.7
342.18280	3.5
471.24005	100.0
583.21808	4.8
651.59216	0.8
732.92480	0.9
961.88458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.7569
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02954	1.6
81.20302	0.8
83.01380	13.7
91.03973	5.0
92.19910	1.2
101.02440	6.4
119.03468	3.9
157.04994	2.2
175.06123	14.4
193.07126	15.1
195.52550	1.0
279.23285	100.0
281.24957	1.4
437.28986	10.1
455.30115	23.2
469.93240	1.0
482.34686	6.1
497.31198	98.1
556.38525	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.7567
Annotation	Unknow
Peak:m/z	Relative Intensity
80.87713	1.3
83.01373	12.8
83.97464	1.5
91.03992	2.6
101.02412	3.7
126.42683	1.4
130.51871	1.5
147.10825	1.5
157.05038	9.1
171.50278	1.3
175.06097	30.7
193.07098	5.9
200.01158	1.5
271.25034	1.6
279.23273	100.0
281.24869	8.7
433.56076	1.6
437.28970	11.3
455.30142	24.6
482.35132	5.4
487.37619	1.6
487.96280	1.8
497.31213	96.1
506.32547	3.3
556.38599	26.5
657.26349	1.6
910.02173	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	1053.6237
Annotation	Unknow
Peak:m/z	Relative Intensity
79.32791	0.9
82.02981	1.4
84.04540	16.0
85.02919	7.5
95.42259	0.8
128.03511	18.2
129.01952	1.9
142.06636	1.8
160.29852	0.9
207.09140	1.0
209.10837	34.5
225.10216	1.0
227.11873	27.1
243.11349	21.9
271.10883	77.6
289.11938	61.8
331.13004	100.0
384.78735	1.0
469.37997	0.9
1009.62964	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	1053.6602
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02224	0.5
80.89721	0.6
114.80924	0.6
119.50226	0.6
130.06641	2.2
146.78999	0.5
156.08167	9.3
157.05305	0.7
158.06097	2.6
163.69119	0.6
172.07672	22.0
174.05582	3.3
176.41220	0.6
200.07187	18.5
202.05109	45.8
218.08195	4.7
244.06168	1.1
262.07196	100.0
304.26532	0.6
405.27621	0.6
448.32550	0.6
602.81384	0.6
724.95734	0.6
789.43237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02979	0.6
83.93526	0.4
92.19928	0.5
97.28469	0.4
108.49994	0.4
112.04020	0.6
117.12934	0.4
129.05539	0.7
138.09250	1.5
147.04503	0.5
148.04021	11.5
150.05579	4.8
154.05038	0.9
160.04045	1.6
161.04807	22.5
162.05557	1.7
164.03418	0.5
167.34547	0.4
173.03534	1.5
174.04289	0.9
175.05103	26.2
176.03502	0.5
176.05858	1.7
177.06702	0.6
187.06265	0.6
189.06711	0.7
190.07477	0.5
191.08253	0.9
200.07172	0.6
201.09303	0.8
202.08771	4.5
203.04640	10.7
203.08180	0.7
204.06601	0.8
213.09251	0.6
215.05765	1.5
215.08095	0.8
216.06645	4.6
219.11371	0.6
226.08705	0.4
229.07443	0.4
231.07742	1.8
232.08549	7.0
233.09300	27.3
241.09785	0.6
243.11308	0.9
244.09799	46.2
245.06871	0.6
245.09203	5.1
259.11005	0.8
261.12463	0.6
263.10352	2.3
281.09216	0.6
286.09674	3.8
287.10342	6.0
287.13699	1.2
288.08725	1.7
288.32227	0.4
289.08917	0.4
291.63605	0.5
294.10062	0.5
295.10779	1.7
304.10623	0.7
305.11398	5.7
312.13492	1.8
337.10876	0.7
338.11377	0.9
370.17578	2.7
400.18704	0.5
406.17319	0.6
417.08228	2.3
424.19022	0.6
442.19797	1.6
468.17722	27.7
472.20941	2.2
507.21277	0.6
605.26257	17.6
605.35797	0.6
635.27246	100.0
636.28302	0.5
684.20398	0.5
1052.73071	0.6
1053.73083	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	1053.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02936	6.9
75.00895	0.6
80.96513	0.9
83.01382	5.2
85.02947	12.6
87.00871	5.3
87.78196	0.6
89.02431	25.4
89.97256	0.6
95.01363	4.0
97.02901	2.0
98.60789	0.6
99.00871	4.6
101.02430	35.5
105.97902	0.6
112.01649	1.2
113.02432	26.7
119.03461	10.1
120.01045	0.6
125.02473	4.7
125.03330	0.5
131.03497	7.1
143.03510	5.4
159.02968	4.5
161.04536	14.5
170.09264	0.7
179.05576	7.4
180.43367	0.6
215.76949	0.6
221.06653	13.0
225.00742	1.2
263.07675	8.0
319.22803	10.1
320.51947	0.6
333.24274	0.8
463.26874	2.8
481.28070	12.3
505.28201	1.0
507.20688	1.3
523.28876	1.3
540.45325	0.7
625.32172	11.1
643.33417	17.1
667.33545	10.6
685.34509	25.5
697.47839	0.6
847.39569	4.7
889.40863	5.5
949.42725	4.0
967.44385	3.4
1009.44952	100.0
1053.44104	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	1052.7257
Annotation	Unknow
Peak:m/z	Relative Intensity
101.94879	0.3
112.07663	0.3
121.48241	0.3
129.10326	0.4
130.08723	0.4
162.21561	0.3
225.16092	1.4
382.66104	0.3
451.32721	0.4
679.90222	0.4
1016.75439	0.7
1052.72583	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	1053.382
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02932	100.0
83.01380	22.6
89.02428	7.9
98.52495	3.1
101.02431	81.8
111.57541	3.5
113.02404	27.5
119.03428	4.6
149.04506	17.8
150.03192	5.3
161.04553	31.9
164.04744	4.6
165.05531	38.6
168.07895	3.5
175.09776	3.7
190.20393	3.4
193.70354	3.7
195.06674	4.2
208.03728	23.6
215.38045	4.0
221.06677	54.5
223.06088	47.5
419.13547	15.6
581.18713	54.4
646.71777	3.5
765.35626	4.8
788.27722	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	1053.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02934	11.2
78.88365	1.9
83.01374	3.4
85.02933	19.3
87.00864	3.2
89.02435	36.4
92.67650	2.0
95.01385	3.5
97.02931	3.0
99.00869	2.9
101.02427	42.9
101.83448	1.9
112.89154	2.4
113.02438	33.5
119.03473	9.7
125.02435	8.8
131.03471	9.9
143.03508	9.1
159.02943	2.7
161.04549	22.2
179.05592	11.6
221.06697	11.6
263.07614	10.4
319.22809	9.9
343.53683	2.1
376.71997	2.2
481.28015	17.7
552.64209	2.5
565.67657	2.3
625.32379	48.6
643.33441	73.9
667.33527	3.9
685.34589	14.4
784.59137	2.4
847.39783	4.0
1009.44965	100.0
1053.43811	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	1049.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99295	2.5
73.02948	1.2
75.00856	16.0
83.01373	0.9
85.02943	13.4
87.00863	3.2
89.02436	7.7
89.40057	0.5
95.01367	2.3
99.00874	5.6
101.02424	8.0
111.00845	0.6
113.02430	20.1
115.00355	1.4
117.01912	1.2
119.03486	1.2
127.24619	0.6
157.01312	0.8
175.02460	1.0
242.39355	0.7
362.96704	0.7
432.82907	0.7
445.33365	3.7
507.20776	19.6
507.27820	0.9
537.51642	0.6
551.19672	0.9
589.37787	1.2
607.38800	2.3
623.16583	0.6
625.40009	1.4
649.39954	5.4
667.40851	0.7
691.38147	0.7
721.42279	1.2
829.46100	4.6
943.49402	1.2
963.47302	2.3
1005.49042	100.0
1049.48328	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	1049.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02938	9.4
73.79858	1.8
75.44102	1.7
83.01404	6.8
85.02922	12.5
87.90250	1.6
89.02439	8.9
95.01378	2.3
99.00898	3.3
101.02431	33.0
110.06097	1.8
113.02438	24.5
116.05047	8.4
123.29316	1.8
124.07625	4.1
157.07730	2.5
159.02948	4.0
161.04567	14.4
199.15703	2.1
203.08305	8.6
261.41000	1.8
315.18219	3.8
356.19778	10.3
471.24005	8.5
477.23535	2.8
485.25583	55.8
519.24512	100.0
879.58942	2.1
1005.50702	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6787
Annotation	Unknow
Peak:m/z	Relative Intensity
76.22730	1.0
78.01689	1.1
78.95908	4.9
90.90380	1.0
97.49715	1.0
120.98289	1.2
134.85887	1.1
146.59543	1.1
152.99609	1.5
168.04294	1.4
224.06944	7.8
242.07823	1.2
255.23276	100.0
319.64078	1.1
325.31213	1.1
398.08435	1.2
402.23914	1.5
480.30936	39.0
484.78458	1.2
554.34644	18.9
717.30328	1.5
1049.53345	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	1047.6422
Annotation	Unknow
Peak:m/z	Relative Intensity
77.54504	5.0
84.01825	3.9
85.39645	3.6
87.55651	4.5
87.84242	3.7
102.69263	4.5
125.25787	4.9
135.84476	3.4
146.25461	3.8
178.83391	4.4
199.03621	3.9
210.17982	4.3
305.24905	100.0
341.40399	4.4
502.29391	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
75.08364	0.9
75.13849	0.9
79.61088	0.9
80.26340	0.9
100.46352	1.0
123.99982	1.0
147.04503	4.1
154.13329	1.1
162.53731	1.1
164.07153	4.6
200.10869	1.7
245.10559	4.2
246.11359	1.1
314.18973	3.8
447.21692	43.3
447.27896	1.6
462.23993	100.0
1023.72644	1.5
1033.31519	1.5
1048.50854	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	1049.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
89.74359	1.0
122.03724	3.9
134.02682	1.0
134.03699	2.2
135.04584	1.1
136.01656	4.0
137.02457	4.9
146.15477	1.1
152.04761	2.1
159.03960	1.1
166.02676	7.2
178.02719	9.5
179.03439	5.4
180.04268	2.0
180.26320	1.0
181.01384	6.4
193.05048	2.3
195.02995	1.9
196.03784	9.9
198.01736	4.3
210.05341	2.3
212.03352	1.7
228.02745	8.3
232.60681	0.9
242.04243	1.2
258.08945	3.9
266.27600	1.1
270.08896	1.1
273.11469	1.1
285.07791	1.6
300.10068	2.0
303.12402	1.6
314.07831	1.7
315.12677	1.1
317.10306	10.2
329.10257	7.7
332.09070	1.5
333.13574	1.0
344.08978	2.1
347.11368	100.0
359.07101	0.9
359.11188	9.3
362.09875	1.9
377.12436	91.5
509.16486	2.4
539.17694	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	1047.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02933	1.8
73.76974	1.0
73.85221	1.4
84.56216	1.5
85.02930	5.9
87.00874	1.8
89.02424	12.6
91.22794	1.1
94.81084	1.1
95.01375	1.3
101.02435	15.1
113.02415	9.1
119.03482	2.8
141.21748	1.2
158.56410	1.4
185.97382	1.3
335.79129	1.2
336.01334	1.2
456.15967	1.1
605.02179	1.5
713.45612	1.3
1047.50122	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	1047.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
89.29776	0.3
91.46467	0.3
92.19263	0.6
101.02455	0.5
113.02474	0.4
135.04504	3.1
152.01109	0.6
167.03462	1.9
182.02263	0.5
194.29256	0.3
197.04550	1.8
239.11935	2.5
249.12436	100.0
308.17667	1.5
336.20724	0.5
352.40054	0.3
360.17212	0.4
362.18762	18.8
380.19818	4.4
406.17609	4.6
411.18188	0.6
433.24472	1.7
465.19943	0.5
509.16678	1.2
537.19647	0.6
569.18817	1.2
1017.43927	2.3
1047.45630	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
81.75545	1.1
90.79872	0.9
102.08939	1.1
103.13715	1.1
108.02144	4.5
120.12898	1.0
123.04501	8.9
150.00822	1.0
152.01134	14.7
156.31467	1.1
166.02669	2.1
167.03479	100.0
181.05054	5.0
209.04517	6.4
249.95390	1.2
265.75162	1.2
377.12378	9.2
423.59103	1.2
507.14267	1.5
539.17682	49.8
1045.67590	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	1046.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
74.82687	0.7
78.52187	0.7
89.58453	0.7
89.58951	0.8
92.19981	0.8
102.12819	0.9
118.06632	1.6
129.58170	0.8
147.04514	4.1
159.68251	0.7
164.07135	8.1
200.10809	1.1
201.10287	2.5
214.64430	0.8
227.11850	0.8
244.09822	1.1
245.10555	5.1
251.09175	0.8
271.18149	1.2
314.18604	1.8
389.14951	1.2
418.25104	1.1
432.19635	1.1
447.21671	38.8
462.24023	100.0
464.25436	0.8
1046.50586	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	1043.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	6.5
74.04038	0.7
83.01365	3.0
85.02934	9.0
86.22459	0.7
87.00839	0.8
87.67162	0.7
87.72530	0.8
89.02441	8.7
95.01365	1.3
97.02918	0.9
99.00853	3.3
101.02428	22.2
113.02442	15.2
119.03497	1.2
130.46565	0.9
143.03490	1.5
147.41963	0.9
159.02963	2.0
161.04520	10.6
209.15468	3.9
238.12611	1.0
291.18079	4.8
308.29889	1.3
353.19678	5.3
371.20734	10.6
413.21887	100.0
541.30170	1.5
585.27649	53.8
635.26855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
73.39141	1.9
82.10177	2.4
82.38144	1.9
85.01450	1.8
87.12003	2.0
252.55678	2.0
331.12149	4.0
335.12967	2.2
337.10767	2.5
341.13748	2.8
353.14093	3.1
371.14908	10.7
389.50677	2.5
395.45285	2.1
458.17230	3.6
488.18457	12.5
609.25049	2.7
612.23560	2.8
627.26703	3.2
639.25885	8.2
657.26923	15.6
669.27020	3.0
717.29218	100.0
805.42938	2.7
879.34247	50.3
989.80450	2.5
1041.41199	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	1043.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02939	4.9
81.37774	1.1
85.02931	2.3
86.35383	1.0
87.00858	2.5
89.02432	9.6
94.02274	1.0
101.02425	14.0
104.59608	1.0
113.02437	14.6
119.03487	5.8
138.03229	2.6
143.03464	1.3
153.05539	5.4
153.09219	17.4
161.04514	2.2
167.32086	1.1
182.02240	22.6
189.12793	2.6
196.03738	4.5
197.04556	100.0
207.13872	2.4
211.06155	10.7
221.42741	1.2
224.03127	1.2
225.15077	3.6
239.05589	8.5
284.36252	1.2
296.14050	1.2
329.14203	1.5
346.15466	1.0
369.19217	10.5
387.20303	9.5
407.13434	6.3
429.21304	83.4
446.26968	1.1
521.18793	40.4
569.18756	72.0
873.80426	1.2
884.69147	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	1040.5871
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00898	0.9
82.06613	1.5
93.03415	3.5
104.89997	1.0
118.74139	1.0
119.04990	6.4
127.08746	1.2
129.10300	5.5
129.11197	1.0
134.06128	2.1
136.07689	1.4
146.06042	7.2
147.04489	1.2
155.08255	13.8
163.03975	8.1
166.07442	1.5
169.09856	1.2
180.06644	32.0
187.11032	1.3
205.31921	1.0
214.12439	3.7
223.14542	1.6
247.14493	3.6
249.16107	3.7
257.12979	5.5
266.11914	1.9
275.14050	2.0
293.15100	9.7
309.19788	21.4
353.18753	6.2
432.22833	9.4
463.99966	0.9
534.26135	100.0
593.33289	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	1039.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
124.07629	0.7
125.85552	0.6
136.07684	6.2
138.09232	1.2
138.37691	0.7
154.75838	0.7
162.05624	1.5
164.10760	5.6
199.12411	1.3
208.09769	7.6
213.06612	0.9
214.07399	1.0
215.08275	2.3
216.08206	0.7
225.10292	3.5
229.09781	6.1
239.11903	5.0
240.09023	1.5
241.09691	6.7
242.10782	0.8
247.10925	4.9
255.11412	3.4
268.08517	0.9
269.09274	4.2
269.12845	2.7
275.13940	3.9
287.13977	1.5
299.10306	2.3
301.08499	1.5
301.11923	46.1
317.11517	0.9
319.09500	1.3
319.13016	27.1
336.20810	1.1
353.38766	0.6
362.18771	13.1
380.19818	2.4
394.21481	0.9
406.17719	5.2
412.22293	0.8
424.18362	0.8
438.20102	3.3
456.21347	3.7
619.27661	16.2
646.91937	0.7
649.28851	100.0
1028.05078	0.7
1077.35828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02934	2.1
83.01363	2.7
83.82391	1.4
85.02933	70.2
101.02416	3.6
111.00869	21.4
119.05012	3.2
129.01915	28.3
138.82770	1.7
144.82831	1.6
161.02429	15.7
163.03964	8.3
179.03494	7.1
187.02489	1.6
205.03551	21.0
223.04590	29.1
237.57555	1.6
332.97360	1.7
369.08261	100.0
436.45883	1.6
503.14014	6.1
665.19202	11.6
760.21045	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	1033.6259
Annotation	Unknow
Peak:m/z	Relative Intensity
80.34366	1.5
83.94032	1.4
87.19946	1.5
100.53999	1.7
169.60983	1.6
499.30652	12.7
517.31714	100.0
1062.39441	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	1031.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02466	4.5
96.04523	2.9
96.95985	3.6
98.06110	2.4
100.00410	0.8
110.06089	7.9
116.05039	19.9
116.92826	0.6
124.07653	11.2
130.06583	0.8
137.04831	5.7
138.05688	0.8
142.06606	4.2
154.05003	0.9
156.06862	4.3
157.07684	10.8
158.09734	3.5
159.09280	1.2
160.98288	0.8
186.05591	1.4
187.12421	7.0
203.08260	9.9
210.12836	0.8
212.14548	0.8
214.02866	0.6
226.35094	0.6
239.11909	5.5
255.18596	0.8
283.11093	2.4
284.11526	2.4
284.17648	1.4
285.12369	3.5
292.54565	0.6
298.19168	4.2
312.20697	3.2
324.17389	1.2
338.18823	7.4
342.18195	7.7
356.19821	27.4
387.10907	0.6
427.24686	4.2
441.26413	6.9
471.23999	33.3
485.25583	100.0
545.04004	0.7
545.27863	3.3
729.51367	0.7
784.26343	0.7
971.51923	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02937	7.5
83.01364	2.9
85.02943	13.5
87.00866	5.5
89.02424	16.9
94.44775	1.1
97.02931	1.7
99.00857	1.9
99.24956	1.0
101.02428	32.8
102.99394	1.3
107.32220	1.1
108.89322	1.1
113.02431	22.1
115.26781	1.5
119.03486	5.8
125.02408	6.8
131.03448	2.1
143.03468	2.9
147.57631	1.3
161.04532	12.1
179.05731	1.2
211.92418	1.3
339.60306	1.3
765.41132	4.7
783.41486	2.1
825.42572	5.6
927.46167	16.1
945.46606	12.2
987.48071	100.0
1069.98669	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	1031.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02935	12.6
83.01371	3.2
84.05713	0.5
85.02946	6.1
86.83162	0.4
89.02430	16.1
95.01356	1.1
99.00900	0.7
101.02420	19.8
113.02425	16.9
117.52873	0.5
119.03458	6.2
125.02438	0.6
131.03487	2.1
139.07634	0.9
143.03476	2.1
161.04541	4.3
168.07916	2.7
179.05588	5.2
217.12196	0.6
221.06604	0.8
226.84647	0.5
235.13213	0.7
243.64041	0.6
251.16653	0.6
265.14420	0.5
411.20193	7.7
429.21152	2.7
438.20981	0.5
469.20746	4.6
471.22345	100.0
472.22702	1.9
473.23477	4.6
480.64114	0.5
502.28207	0.6
515.21222	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	1029.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
72.91231	0.8
73.02937	1.5
75.30259	0.8
81.03400	0.9
85.18420	0.7
101.02411	1.0
101.69879	0.9
123.04497	4.7
125.02408	7.2
129.61040	0.9
137.02434	1.9
148.01575	1.0
165.05566	1.5
167.03473	19.7
179.03450	4.2
197.04521	11.5
209.04536	63.4
221.04523	1.3
239.05597	66.2
251.05623	2.1
263.05484	1.6
269.06659	26.9
277.03552	1.0
281.06555	6.5
286.61121	0.9
293.06711	1.6
299.07663	4.9
309.31873	1.1
311.07730	4.4
322.09409	1.0
329.08865	6.1
371.07471	2.2
401.08792	1.3
403.15958	3.7
461.10800	5.1
491.12170	6.6
581.15137	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	1028.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
92.19976	0.3
109.02913	0.6
121.02916	3.1
128.70705	0.2
137.06088	0.5
140.12747	0.3
147.14723	0.3
163.03976	3.2
165.05495	0.4
186.16130	0.5
197.04538	0.4
228.17181	1.8
299.74237	0.3
308.19797	31.4
314.07767	0.2
315.12015	0.3
334.17606	0.3
337.14279	0.3
350.20850	19.6
362.20944	0.9
472.24524	100.0
555.16907	0.3
594.15698	0.4
638.49225	0.4
712.44434	0.3
917.49103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.6385
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01348	4.2
73.02935	10.0
83.01369	2.3
85.02919	0.7
89.02438	4.9
101.02424	10.4
112.07647	6.7
113.02410	5.3
113.06063	1.1
119.03473	1.1
129.10345	4.3
130.08705	10.2
131.03487	1.0
149.04518	1.2
161.04538	4.0
203.05635	0.7
207.15036	4.4
208.13356	0.7
221.06621	2.4
224.17755	3.9
225.16092	18.7
303.14502	3.3
314.39038	0.5
320.23428	2.3
337.26080	2.5
338.24612	5.8
341.10403	0.8
429.21274	7.3
433.31781	2.2
433.37000	0.6
450.34473	1.1
451.33002	1.3
563.42755	2.6
659.48846	4.8
677.49689	100.0
822.76544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.461
Annotation	Unknow
Peak:m/z	Relative Intensity
76.51208	3.4
93.65026	3.4
95.62873	3.3
96.95996	3.3
119.18065	3.2
128.32127	3.5
129.86978	3.5
136.07668	4.6
138.09290	3.6
174.73940	3.6
196.61130	3.5
212.67177	3.5
229.09813	6.2
269.12909	4.0
271.31494	3.6
300.92319	4.1
301.11856	6.1
362.18744	23.7
394.21341	6.0
438.20279	40.8
456.21198	14.2
477.14539	3.9
584.57513	4.4
619.27692	5.2
620.35211	3.5
649.28857	100.0
962.69708	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	1025.34
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01364	22.1
82.16699	0.9
85.02946	1.7
89.02428	57.7
91.63727	0.9
101.02431	27.3
105.25531	1.0
113.02418	18.0
119.03475	32.7
125.02318	1.0
131.03517	1.8
143.03456	4.6
149.04451	1.4
161.04536	6.0
179.05585	16.5
225.78319	1.0
259.94971	1.0
341.10886	100.0
401.04520	1.1
459.27069	1.2
621.65881	1.1
682.59137	1.3
683.22534	38.6
936.67230	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	1024.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	3.8
73.46904	1.0
88.80482	0.8
89.02432	5.5
92.75250	0.9
101.02439	3.5
113.02454	4.2
115.64199	0.9
119.03477	3.9
125.09717	8.6
153.09195	12.3
155.10773	2.1
167.10786	1.4
169.08676	1.7
170.41125	0.9
171.10268	26.6
174.70227	0.9
197.08177	6.9
215.09244	24.6
237.21667	0.9
239.09451	1.0
257.10239	3.7
266.57834	1.0
333.15350	4.0
359.13525	1.4
377.14563	100.0
661.83130	1.2
678.85419	1.1
770.98785	1.0
935.88104	1.2
959.61926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.407
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	25.0
72.99284	1.0
73.02936	68.0
78.47253	0.8
79.28313	0.8
83.01371	13.8
83.86366	0.8
85.02939	5.9
89.02425	16.7
93.62569	1.0
95.01357	1.6
95.79811	0.8
97.54369	0.9
99.00854	1.2
101.02426	65.0
113.02431	25.2
113.06053	1.1
119.03492	6.6
125.02402	1.2
129.29303	1.0
131.03508	6.9
143.03455	4.4
149.04538	8.4
153.09195	10.4
155.03490	1.5
161.04549	22.9
165.09200	11.2
203.05627	5.7
205.12332	5.3
221.06657	16.9
223.13362	23.9
247.73480	0.9
271.13339	2.0
283.13293	1.2
341.10120	1.2
344.12582	3.9
356.12381	2.1
359.15060	5.6
367.17499	6.3
385.18701	1.0
387.20224	1.8
427.19717	100.0
429.21375	7.1
433.18839	1.4
445.18863	1.3
505.20807	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	1023.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
77.68112	1.3
96.95998	6.5
117.03466	2.1
135.04544	2.2
168.33977	1.6
217.85318	1.5
331.06137	11.2
333.03891	2.0
375.05081	100.0
399.05212	5.7
401.02957	10.0
417.06152	8.6
443.04047	2.8
519.07227	11.0
537.08600	2.6
560.20819	3.0
956.75592	1.7
1023.23975	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	5.2
72.99308	1.7
73.02909	0.8
75.00858	13.3
75.60513	0.6
76.81850	0.8
84.17055	0.6
84.83542	0.8
85.02931	10.6
87.00864	4.5
99.00845	5.6
101.02422	0.9
113.02421	16.2
115.43130	0.8
124.24032	0.9
129.01959	1.0
190.24539	0.7
203.08340	0.8
269.11795	8.8
278.69974	0.8
281.11792	9.0
285.41898	0.7
323.12958	0.9
332.05933	0.8
372.19058	0.7
413.16150	7.4
425.16159	4.9
431.17148	18.4
443.17142	9.2
473.18341	1.3
487.23553	1.5
527.19672	1.0
545.20361	1.6
649.21216	3.7
661.21631	0.9
663.30548	3.6
679.22412	100.0
979.40833	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	1022.5968
Annotation	Unknow
Peak:m/z	Relative Intensity
71.89126	3.7
75.45849	3.7
116.04986	3.9
119.04993	5.1
142.78378	3.8
155.08221	16.4
159.46854	3.3
163.03947	4.5
164.07153	6.7
169.07918	3.8
173.26247	3.5
180.06644	35.2
207.14987	8.2
223.14613	5.2
275.21356	6.0
278.27634	3.7
293.15076	8.2
348.50598	3.8
414.19943	4.4
447.21753	41.6
462.23981	100.0
500.27567	13.4
518.28717	56.3
763.34607	4.3
948.48645	5.2
963.51941	53.9
1022.58832	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	1021.6009
Annotation	Unknow
Peak:m/z	Relative Intensity
97.79404	0.3
99.92570	12.6
114.93413	0.5
116.92841	100.0
145.38913	0.3
152.54367	0.3
279.49982	0.3
340.09091	0.3
496.20749	0.3
737.80536	0.3
754.09705	0.4
1021.59967	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	1022.5962
Annotation	Unknow
Peak:m/z	Relative Intensity
90.00581	1.6
93.03474	2.2
98.52518	1.6
119.04994	7.2
129.10300	7.5
131.34448	1.9
134.06070	1.8
139.08748	2.3
147.04524	8.6
155.08235	16.8
155.16754	1.9
158.69200	1.9
163.03975	7.0
164.07162	11.3
179.15500	1.8
180.06657	41.7
191.12915	1.9
207.15077	3.3
223.14555	2.4
225.16080	2.4
245.10559	4.5
249.16080	7.7
275.21371	4.6
279.85507	1.8
281.17279	2.0
293.15042	8.7
310.94476	2.0
314.18790	3.1
432.20694	2.3
447.21631	44.1
448.22522	3.0
462.24033	100.0
500.28015	14.6
518.28656	46.4
587.08594	2.1
603.04443	2.2
948.49963	8.5
963.52289	64.1
1022.58563	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	102.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.8
58.99601	100.0
59.01372	4.9
60.06052	0.4
74.99075	6.0
85.02935	0.5
95.07137	0.5
102.98583	40.9
103.04012	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	1020.7324
Annotation	Unknow
Peak:m/z	Relative Intensity
79.96297	0.8
91.45798	0.7
112.07644	4.2
113.06071	1.4
125.09699	1.3
127.11245	1.3
129.10342	1.9
130.08754	6.9
157.13853	0.7
169.83463	0.7
171.10132	0.8
183.13861	1.2
203.26697	0.8
204.89497	0.8
209.11783	1.2
211.13387	12.6
224.17787	1.0
225.16086	15.1
229.14427	89.3
320.27524	0.7
337.26050	1.4
338.24533	6.4
367.14435	0.8
433.31561	1.2
451.33124	1.8
592.77869	0.8
624.41699	0.9
772.56494	3.5
781.39905	0.8
790.58124	100.0
825.89838	0.9
1020.74084	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	1019.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01353	0.4
89.02375	0.5
123.00877	0.6
138.03206	2.2
153.05525	5.2
167.18472	0.5
182.02191	13.6
186.80513	0.6
187.45227	0.5
196.03732	3.0
197.04553	100.0
198.04900	0.5
211.06122	10.2
211.08046	0.7
216.87758	0.5
239.05600	8.7
261.19287	0.6
264.69568	0.5
336.08444	0.5
342.56717	0.5
407.13446	2.5
569.18762	64.4
705.97974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5651
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	7.1
72.00897	1.3
85.02914	2.1
89.02389	1.3
99.00890	1.2
101.02422	8.5
113.02443	5.6
119.04993	5.8
122.14854	1.2
128.07121	1.5
130.08705	1.9
134.06093	2.9
146.06068	1.5
147.08310	1.3
155.08250	10.9
161.04552	1.4
163.04016	9.1
165.99535	1.1
180.06662	47.1
193.81349	1.1
209.15428	1.8
223.14548	14.9
241.15596	8.7
242.11690	1.3
275.21259	30.4
319.20132	17.3
371.20691	5.1
413.21857	44.4
414.20889	1.9
496.11386	1.3
500.27658	100.0
559.34979	10.0
692.37158	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	1016.6964
Annotation	Unknow
Peak:m/z	Relative Intensity
88.31592	1.0
159.58336	1.0
273.83948	1.0
274.95636	0.9
305.24902	23.3
471.34814	100.0
530.32556	24.6
551.53229	1.0
912.71106	1.3
930.29803	1.1
1016.69525	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01362	1.6
74.02458	21.5
80.36166	1.5
92.19311	3.3
98.02467	3.8
113.02440	1.6
116.03528	15.7
116.05021	3.8
135.76022	1.6
145.39845	1.5
146.00728	1.6
148.90421	1.9
161.28304	1.5
201.10286	8.0
203.08281	59.3
203.10173	2.8
204.08607	2.7
245.09294	62.1
341.10300	8.3
353.10458	1.7
355.08365	3.0
358.10696	18.9
370.10602	29.4
373.12894	28.9
385.13004	11.3
612.75867	1.6
727.24585	100.0
966.53510	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	1013.688
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	2.9
79.98613	0.6
82.04091	12.6
85.46602	0.5
89.02473	0.9
92.48134	0.7
111.25974	0.6
140.64964	0.7
141.09206	49.1
145.58803	0.7
159.18489	0.8
168.52591	0.7
171.12411	0.8
171.85883	0.6
176.46399	0.7
187.26273	0.6
195.12492	10.8
251.21307	1.1
337.22452	100.0
583.05170	0.8
631.25873	0.9
675.46527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.613
Annotation	Unknow
Peak:m/z	Relative Intensity
76.45928	1.0
76.50426	1.0
82.02976	6.1
84.04536	38.8
85.02954	8.3
100.04037	25.0
100.24162	0.9
128.03519	30.3
129.01961	1.8
146.62564	0.9
147.64256	1.0
151.02307	0.9
160.07658	3.9
188.10818	4.6
204.10338	9.2
232.09785	79.2
250.10851	73.0
255.94000	1.0
292.11932	100.0
336.21423	1.1
380.39261	1.0
442.44995	1.0
677.48456	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	1015.7286
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	2.1
82.02985	1.9
82.04094	16.7
84.04533	5.9
85.02946	1.5
85.04849	0.5
100.04037	2.9
101.04367	0.3
123.08165	0.6
128.03523	5.6
129.01950	0.5
129.03865	0.4
129.10323	1.9
135.52144	0.3
141.09204	39.9
154.09846	0.4
171.12482	0.7
178.13435	0.4
185.08167	0.4
188.10855	1.0
195.12500	6.2
204.10269	1.2
214.40910	0.3
232.07651	0.4
232.09760	9.8
233.10075	3.2
249.01254	0.3
250.10851	10.7
251.11133	3.4
251.21268	2.3
252.59792	0.3
292.11902	14.8
293.12271	5.9
295.20340	2.7
337.22458	100.0
386.94363	0.3
480.11395	0.3
536.63202	0.3
554.41742	0.3
611.92651	0.3
677.49902	1.3
1015.72510	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	1013.387
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	8.9
72.99300	1.7
73.02932	1.4
75.00857	13.9
85.02944	16.6
87.00856	20.7
89.02414	1.2
92.19315	0.8
92.74775	0.8
95.01386	1.7
99.00886	5.6
101.02425	3.8
113.02429	22.7
115.00345	1.3
117.01892	1.1
129.01906	1.0
130.99834	15.2
132.00656	3.0
150.03116	0.7
171.11661	1.0
254.04247	3.7
344.83322	1.0
351.10999	10.0
540.54724	0.8
617.28162	100.0
661.27234	4.7
885.66553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	12.2
73.02936	3.1
78.58212	1.1
83.01363	1.7
85.02928	2.8
89.02422	5.8
101.02415	12.6
112.78619	1.5
113.02434	7.4
119.03517	1.6
129.19321	1.2
161.04527	7.5
164.40219	1.3
181.12311	5.8
189.12737	2.0
201.12837	2.4
219.13889	15.2
235.08328	1.6
347.11407	7.3
399.20282	21.8
417.21146	11.1
459.22375	100.0
461.25485	1.4
791.47668	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	1011.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	12.1
73.02939	15.6
75.35094	1.2
82.13676	1.2
83.01358	2.8
85.02944	5.3
87.00854	1.4
87.85680	1.3
89.02422	9.9
90.02013	1.1
98.13162	1.1
101.02424	21.8
113.02460	14.4
119.03429	1.9
120.28181	1.2
136.97113	1.2
151.76633	1.3
152.08424	5.4
155.03407	1.4
161.04590	2.2
170.61780	1.2
218.06053	1.2
225.14888	2.8
277.43826	1.3
369.19193	9.2
387.20389	12.4
429.21313	100.0
537.15167	1.2
684.89313	1.6
751.42236	1.4
959.34412	1.3
978.75940	1.4
1020.94281	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	1009.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	10.6
72.99294	2.0
73.02936	1.7
73.06114	0.3
74.45541	0.3
75.00858	16.9
81.40656	0.4
83.01374	0.8
85.02936	17.5
87.00871	3.4
89.02434	2.7
95.01363	1.7
97.02940	0.6
99.00870	7.2
101.02422	4.8
111.00835	0.5
112.01630	0.5
113.02425	25.7
115.00335	2.2
117.01913	1.7
125.02413	0.4
129.01917	0.6
137.20653	0.4
159.02911	0.9
161.04570	3.2
162.05165	0.5
175.02472	0.5
175.05095	0.7
184.17210	0.4
203.04649	0.4
233.09322	0.7
244.09795	1.7
281.50607	0.4
289.16669	1.7
389.18304	0.6
403.19763	0.6
468.18088	0.5
507.20798	100.0
551.19537	4.5
604.81110	0.4
635.27112	1.8
637.27850	0.5
882.14581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40347	0.7
71.01367	0.8
76.38680	0.7
77.80817	0.8
89.02453	0.9
101.02418	0.9
117.03453	1.1
119.05000	100.0
124.37750	0.8
163.03989	97.8
181.08766	0.8
187.07603	5.7
190.06300	1.7
205.08649	1.5
238.20000	0.9
311.12582	1.4
325.09265	42.4
329.13904	4.1
341.13855	4.1
359.15048	11.0
382.17230	0.8
476.50122	0.8
491.19156	7.5
503.19257	3.1
521.20209	14.3
586.72797	0.9
683.25562	8.5
931.91071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	34.4
73.02940	100.0
83.01364	21.2
89.02433	14.2
101.02435	70.3
113.02455	25.9
131.03476	4.0
139.59312	2.9
143.03491	5.3
149.04536	16.4
151.43990	2.6
161.04575	29.3
184.78389	2.7
203.05402	3.1
221.06654	38.6
271.48325	2.9
330.07300	3.0
345.09604	2.9
357.09689	5.7
435.95337	3.3
471.20242	2.9
537.15979	5.3
746.95197	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	1007.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	5.9
73.02941	9.8
81.80006	1.2
83.01366	2.1
85.02956	2.8
89.02423	5.7
90.54970	1.1
96.41434	1.5
101.02422	9.4
113.02430	8.8
119.03450	1.4
125.06068	2.0
138.06865	5.2
139.07655	2.8
140.07401	1.2
151.07649	8.7
152.08405	23.5
152.89781	1.4
153.09203	73.3
161.04607	1.7
165.09175	2.1
165.19917	1.4
205.12332	23.7
223.13409	14.7
296.15509	1.3
367.17560	11.4
373.12881	7.3
385.18643	1.7
427.19745	100.0
676.44263	1.4
993.97687	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	1007.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
78.68353	4.7
95.71309	4.8
106.28972	5.9
116.92839	100.0
129.05553	10.3
134.06097	4.8
160.04071	12.1
164.07089	5.8
169.44019	4.9
177.06689	8.1
180.50131	4.6
189.79846	5.0
201.06737	24.8
229.09860	7.8
247.82791	5.9
255.11430	4.8
331.13113	20.8
375.40729	5.1
451.12689	5.4
631.23871	83.9
972.04315	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	1007.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
74.82693	0.5
75.16451	0.4
87.00896	0.5
133.02888	0.6
135.04506	16.5
136.63771	0.4
161.02429	63.3
171.71233	0.5
179.03491	73.5
200.32048	0.5
323.07709	3.1
341.08771	61.5
503.14096	100.0
743.50354	0.5
784.10040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	26.3
73.02937	5.7
73.94552	0.9
83.01377	1.9
85.02934	11.6
86.85314	0.9
87.00904	3.6
88.91525	0.9
89.02430	15.6
99.00852	2.0
101.02428	30.4
113.02431	16.5
119.03519	7.6
124.36738	1.0
125.02408	4.0
131.03470	1.3
143.03485	5.1
159.02963	1.9
161.04532	9.9
179.05605	1.9
203.90108	1.0
221.06717	1.2
245.06718	1.6
275.26779	1.1
313.50891	1.0
411.19574	0.9
459.31158	1.2
595.01752	1.0
636.95557	1.2
654.62915	1.2
783.41077	7.6
896.42694	1.2
945.46960	100.0
961.45166	1.6
1005.47235	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	1005.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	22.3
73.02928	3.6
76.70623	0.7
77.62415	1.0
79.01084	0.8
79.17523	0.8
83.01392	0.9
84.95888	0.8
85.02943	7.3
87.00867	1.3
89.02431	12.6
92.19974	2.0
95.01376	0.9
97.02916	1.6
99.00820	1.4
99.04489	10.6
101.02426	23.0
113.02434	13.5
119.03460	6.2
125.02396	4.5
131.03476	3.1
143.03511	3.2
161.04547	9.3
179.05579	1.2
184.92224	1.0
217.38332	0.8
221.06612	4.6
285.76379	0.9
345.24487	1.0
386.49673	0.9
419.28183	1.5
466.46268	0.9
501.32556	1.3
649.18298	1.1
684.40881	0.9
1005.49054	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	1005.7564
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	9.1
91.03970	1.8
93.13964	1.4
101.02431	2.1
128.00351	1.3
157.05019	6.9
162.31517	1.5
175.06091	30.8
193.07118	6.6
255.23296	100.0
413.29007	9.0
431.30011	27.1
458.34827	2.7
473.31152	72.1
532.38446	27.4
780.32465	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	1005.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01362	0.7
73.02926	0.4
75.26701	0.3
82.02956	1.6
87.00854	1.7
97.06586	0.5
104.61147	0.3
112.04018	0.5
115.61929	0.3
118.56767	0.4
121.02943	4.8
122.03696	0.4
122.98725	0.4
129.05550	1.9
136.07695	0.6
138.09270	0.7
147.04466	2.8
148.04022	11.4
148.05170	0.6
150.05565	5.1
154.05070	2.3
160.04021	1.7
161.04800	25.7
162.05550	1.7
163.03986	1.7
173.03484	0.9
174.04268	0.9
175.05101	33.0
176.05865	2.4
177.06619	0.8
179.08257	0.4
186.33801	0.4
187.06421	0.5
189.06645	0.6
190.07362	0.6
191.03387	0.5
191.08215	2.0
201.09174	2.4
202.03824	0.5
202.08765	5.2
203.02861	0.7
203.04620	12.3
203.06363	0.7
203.08089	0.6
204.06769	0.5
215.05875	0.6
215.08241	1.5
216.06641	4.4
216.10225	0.4
217.07486	1.5
219.11256	0.4
226.08708	0.9
227.07117	0.7
227.09323	0.7
228.06738	0.5
229.07382	0.9
231.07637	3.1
232.08479	8.6
233.09291	28.8
243.09082	0.4
244.09795	57.9
245.06921	0.7
245.09264	5.6
246.07828	0.6
261.12622	0.5
263.10321	2.7
270.07553	0.6
286.09637	3.8
287.10379	7.9
287.13950	1.7
288.08719	2.0
289.09753	0.5
295.10785	1.6
301.07172	0.7
304.10760	0.7
305.11392	6.7
309.09692	2.7
312.13495	1.6
337.10834	0.4
338.11450	1.8
339.12195	0.7
351.10883	2.1
369.11877	14.7
370.17709	3.0
381.17844	0.5
382.17972	0.7
400.18970	0.7
424.18945	0.4
442.20096	0.9
449.16025	0.4
457.24295	0.7
468.17767	23.8
472.20911	2.0
514.22235	0.5
605.26184	18.4
635.27277	100.0
636.27234	0.5
651.27502	0.5
652.68756	0.4
965.54956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
71.97649	0.3
72.07769	0.3
77.45830	0.3
82.02977	1.2
86.47752	0.3
87.00848	1.2
97.06567	0.3
112.04035	0.4
121.02953	2.7
122.03753	0.4
123.04445	0.3
129.05569	2.4
136.07658	0.5
138.09230	0.5
147.04533	2.1
148.04039	12.6
150.05577	5.1
154.05089	1.6
160.04053	1.6
161.04807	23.9
162.05580	2.0
163.03969	0.7
164.03581	0.4
173.03543	1.2
173.06076	0.4
174.04300	1.2
174.05635	0.5
175.05103	33.5
176.05879	1.8
177.06674	0.6
179.08328	0.5
187.06358	0.7
189.06721	1.3
190.07419	0.6
191.03586	0.4
191.08258	2.2
201.07681	0.6
201.09242	1.8
202.03870	0.5
202.08723	6.1
202.91837	0.3
203.04619	11.5
203.08304	0.4
204.06662	1.3
215.05829	0.5
215.08130	0.4
216.06697	4.5
216.10208	0.4
217.07394	1.2
226.08582	1.1
227.07225	0.6
227.09451	0.7
229.07416	1.2
231.07756	2.0
232.08511	9.6
233.09296	30.4
242.08156	0.5
242.10391	0.5
243.07462	0.7
243.11423	1.3
244.09798	55.6
245.06873	0.6
245.09265	6.8
246.07538	0.6
246.10033	0.3
247.08459	0.5
259.07758	0.3
259.10706	0.4
261.12460	0.4
263.10345	3.3
268.08582	0.6
271.08466	0.3
285.08899	0.6
285.12271	0.5
286.09628	3.5
287.10428	8.1
287.13724	1.0
288.08813	1.8
295.10834	1.7
304.10782	0.5
305.11417	7.1
309.09985	0.6
312.13657	1.2
337.10834	0.4
338.11539	1.8
339.12271	0.6
351.10880	0.5
352.02368	0.3
369.11932	11.5
370.17715	3.6
375.19952	0.4
381.18201	0.4
382.17630	0.6
400.18582	0.4
406.17978	0.4
424.18863	1.2
442.19830	0.5
468.17697	24.1
470.18326	0.3
472.20874	1.3
563.25061	0.4
605.26245	20.7
617.25525	0.4
624.90674	0.4
635.27264	100.0
636.27905	1.2
637.27856	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	1005.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01358	1.1
85.02917	0.7
89.02429	1.5
101.02406	2.6
113.02459	1.2
131.03404	0.8
131.33307	0.6
135.04512	0.8
149.02412	9.9
152.01073	4.5
158.27405	0.7
161.04454	0.7
163.03954	2.9
164.04776	29.4
169.04993	0.8
179.07100	16.4
193.01421	7.7
208.03763	82.3
209.08205	2.4
223.06105	100.0
243.58006	0.8
279.04730	0.7
575.19666	0.7
739.25012	0.7
799.26672	96.9
961.31885	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	1005.398
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	2.5
71.97575	0.5
82.02943	0.7
85.02954	0.5
86.91661	0.4
87.00857	2.7
96.94345	0.5
97.06586	0.7
101.02430	2.4
102.98579	0.8
112.04016	0.6
112.25839	0.5
113.02422	1.0
115.49997	0.6
119.03505	0.5
121.02962	5.7
121.03745	0.7
122.03667	0.8
129.05525	2.5
138.09193	0.7
147.04523	4.4
148.04015	12.7
149.04657	0.4
150.05563	5.2
154.05067	2.2
160.04012	2.1
161.04788	27.5
162.05582	2.4
163.03952	2.0
164.03497	0.6
173.03558	1.0
174.04343	0.6
175.05107	37.1
175.06592	1.2
176.05742	2.4
177.06590	0.6
187.06377	0.6
189.06680	0.7
190.07442	0.5
191.03555	0.9
191.08235	1.9
192.04245	0.6
193.04953	0.6
200.10849	0.6
201.09311	3.4
202.03850	0.8
202.08728	5.1
203.04594	11.7
204.06578	0.7
215.05940	0.5
216.06671	4.5
217.07509	0.8
227.07147	0.9
227.09416	0.6
229.07512	0.9
231.07709	2.0
232.08501	8.1
233.09286	29.7
236.57986	0.5
243.11391	0.8
244.09805	56.4
245.06868	0.7
245.09245	6.6
246.07697	0.8
259.10861	0.5
263.10324	1.9
286.09708	3.6
287.07748	0.6
287.10526	6.6
287.13757	1.0
288.08838	1.8
295.10837	1.9
305.11505	7.6
309.09702	2.6
312.13458	2.6
338.11432	1.9
339.11819	0.5
351.10721	1.9
369.11887	17.0
370.17627	4.0
377.21780	4.6
382.17773	0.6
406.17880	0.7
424.18823	0.6
457.24280	0.9
459.25897	0.5
468.17722	30.3
472.20721	1.0
477.27042	0.7
520.69501	0.5
583.26013	2.9
605.26221	19.2
607.27234	0.7
635.27252	100.0
636.27429	0.8
637.28192	1.9
642.75958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	13.2
73.02930	6.8
80.00233	1.1
85.02943	5.3
87.00875	4.7
87.63251	1.2
89.02438	5.4
89.11716	1.3
90.98022	1.0
92.19209	1.3
99.00873	1.9
101.02417	13.9
113.02440	8.3
159.02847	1.4
161.04549	10.4
165.72501	1.2
208.51990	1.2
244.09698	1.6
253.18053	9.8
279.19687	1.6
347.12506	1.7
397.22208	12.1
415.23190	7.9
457.24490	100.0
514.21869	2.1
777.02478	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	1003.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02969	6.0
72.04525	1.2
74.02459	27.4
98.02463	7.2
116.03529	17.2
116.05026	8.4
118.29141	0.8
140.33252	0.9
142.06664	0.9
159.09340	1.4
183.09254	1.0
201.10268	3.2
203.08267	62.7
219.42749	1.0
239.31003	0.9
245.09305	100.0
289.08313	4.7
313.75125	1.0
455.38571	1.0
484.60452	1.0
875.32483	1.0
888.58917	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	1002.605
Annotation	Unknow
Peak:m/z	Relative Intensity
74.55283	1.9
152.99553	12.9
173.66165	2.3
255.23286	100.0
483.27283	65.6
626.38654	2.5
821.28436	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	1002.6062
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95892	3.7
87.13235	2.0
87.67772	2.0
106.57481	2.0
115.95024	2.2
152.99539	12.1
201.04883	2.3
255.23296	100.0
279.40262	2.4
284.57513	2.3
441.07141	2.5
483.27267	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	2.1
72.68309	1.0
87.00863	100.0
92.57111	1.1
111.04498	14.9
111.21396	1.2
125.06090	8.9
147.15834	1.3
154.35068	1.4
155.03534	1.7
166.08751	2.1
208.10947	28.0
233.13268	1.1
243.05064	44.9
252.09898	34.1
256.33981	1.3
297.28140	1.2
309.78067	1.2
341.53568	1.1
496.15866	38.4
505.20554	9.5
708.19189	1.6
941.16895	1.5
970.15930	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	1001.6333
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	4.2
79.95723	4.1
96.95993	100.0
96.96886	6.3
484.90738	0.7
734.73566	0.7
790.33319	0.7
1001.63562	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	999.6416
Annotation	Unknow
Peak:m/z	Relative Intensity
78.14651	2.8
86.09709	20.6
90.04888	3.1
92.23636	2.9
104.10755	64.3
112.80029	2.9
124.99984	6.1
150.52127	3.2
161.56355	3.4
184.07349	100.0
184.08931	6.1
209.44061	3.5
359.97006	3.4
364.39221	3.4
441.78464	3.2
478.34030	3.7
496.33987	72.7
507.49625	3.3
508.59506	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	1000.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
82.82196	1.2
91.05518	6.3
92.19379	1.3
96.04551	2.8
107.05013	9.4
108.04524	2.0
116.05012	1.5
118.06609	32.6
134.03711	1.9
135.04515	79.4
147.04488	12.1
156.08157	1.6
158.09752	7.3
164.07219	10.3
165.05569	19.6
187.12270	2.2
200.10686	2.5
245.10573	2.3
298.19211	2.2
323.09317	5.7
339.08664	15.7
342.11050	12.4
354.11163	2.6
357.13419	15.2
369.13467	15.0
446.24506	100.0
553.20807	54.9
730.57434	1.9
887.74011	1.5
1000.46002	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.6201
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06604	8.0
76.39259	7.5
81.07063	12.7
84.08150	9.8
84.68173	7.5
91.05497	12.8
93.07053	12.9
95.08616	20.4
95.42513	8.0
95.67212	7.4
105.07007	16.9
107.08605	34.5
112.09705	8.2
117.99025	9.0
119.08581	77.2
120.61886	10.8
121.10146	42.8
131.08566	17.1
133.10141	15.7
135.11700	12.7
145.10101	69.0
147.11777	12.1
149.13234	12.6
159.11707	40.2
161.13275	49.8
163.14769	10.8
171.11742	14.9
173.13226	63.5
175.14847	32.8
183.11707	10.6
185.13293	40.1
187.14861	100.0
189.16446	18.2
191.14401	20.0
199.14793	40.3
201.16409	90.2
203.17946	15.9
213.16393	38.9
232.74422	9.2
235.13324	10.6
259.16949	16.0
391.30026	34.5
419.29562	13.7
435.28815	18.7
437.30573	85.2
451.28424	33.3
453.29980	53.9
455.31848	71.6
465.29929	37.3
481.29617	61.4
483.31030	10.4
499.31006	16.8
688.51495	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	997.6251
Annotation	Unknow
Peak:m/z	Relative Intensity
84.83035	0.4
86.09211	0.6
86.09711	14.8
104.10744	2.0
125.00016	6.0
127.64716	0.4
128.99728	0.4
140.41638	0.4
184.07347	100.0
190.36629	0.3
337.27228	0.5
502.32971	0.8
520.34021	37.6
538.02979	0.4
763.59332	0.4
878.40259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6243
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07052	1.2
85.76711	0.8
85.95220	0.9
86.09713	20.9
90.42241	0.9
98.70785	0.9
102.23894	0.8
104.10753	71.9
121.70490	0.8
125.00019	8.9
150.58829	0.8
184.07346	100.0
195.53354	0.9
236.14995	5.1
237.15262	1.6
291.05255	1.0
502.32968	4.6
514.28882	1.0
520.34015	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
77.71134	0.4
85.78294	0.4
110.06006	0.6
135.04332	1.9
145.02754	2.3
163.03903	19.9
178.04871	0.5
241.13336	0.5
285.12372	9.7
336.11771	0.5
346.19284	0.5
362.18588	8.4
364.20227	0.9
378.17966	2.2
380.15399	0.6
380.19742	9.4
382.21405	0.9
390.18268	0.8
391.15201	1.1
406.17627	63.9
408.19189	12.3
418.17596	1.1
422.20724	2.7
424.18567	0.6
426.20264	4.3
427.18643	0.6
433.06979	0.6
436.18692	2.5
439.31604	0.6
446.07809	0.5
451.17734	0.6
452.18176	92.2
482.19055	2.3
557.23883	3.5
559.25555	1.1
575.25018	7.0
603.24689	1.0
621.25677	16.0
651.26782	0.9
794.28131	1.0
824.29236	0.7
963.35516	3.3
993.36139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.453
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06612	1.6
120.30478	0.9
135.40843	0.9
144.08089	28.0
170.09639	100.0
171.10408	15.9
201.13930	4.8
202.14709	5.2
222.94438	1.1
257.63132	0.9
271.14383	1.1
465.42908	1.3
997.45306	48.1
1014.69855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.465
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	2.9
81.07089	3.8
83.08636	7.5
84.04504	4.2
85.02934	4.9
95.08597	14.6
97.10123	3.5
107.08634	4.4
109.07613	3.6
109.10165	21.7
113.09615	4.1
123.11717	3.5
127.03918	7.0
127.11183	21.4
129.06628	4.4
130.04996	15.5
131.04468	5.4
133.10135	3.7
137.13196	5.5
138.19308	3.6
144.01137	4.4
153.12726	4.1
162.02161	6.7
177.03299	39.4
181.06099	4.4
196.81073	3.6
199.07147	18.4
215.10538	3.7
231.04381	40.4
237.12694	4.0
239.10634	3.8
247.11110	5.2
249.12843	5.5
249.16315	3.6
251.14270	4.0
265.12097	6.3
267.13809	19.8
315.10345	3.4
317.12143	7.1
339.13858	3.7
475.18179	3.4
480.49805	3.9
572.00055	3.6
629.33075	7.0
647.33734	5.8
758.36450	5.7
776.36560	7.5
779.37689	4.6
791.37372	5.4
809.38501	20.2
827.39697	7.6
845.41309	7.0
887.63281	4.1
899.41522	5.9
926.42371	5.2
938.42438	4.5
944.43945	19.4
956.43866	24.1
974.45276	82.1
992.46490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.382
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37957	0.3
71.33511	0.3
85.19147	0.3
89.03887	0.4
92.18531	0.8
102.27439	0.4
102.28078	0.3
110.05962	1.4
135.04312	0.5
136.07524	0.8
145.02766	0.7
163.03905	22.2
171.01538	0.3
284.11423	0.8
285.12369	11.9
362.18607	4.9
363.17133	0.4
364.20215	0.7
378.18204	0.8
380.19714	9.9
382.21170	1.7
388.16492	0.5
390.18054	2.0
391.15195	3.8
406.17627	69.9
408.19211	15.6
418.17496	1.6
422.20688	2.0
424.18698	0.5
426.20255	7.6
427.18683	0.4
434.16959	0.5
436.18488	1.3
451.17560	0.6
452.18173	100.0
482.19336	2.7
511.59988	0.4
543.26154	2.7
545.27679	0.4
561.27094	4.1
589.26495	1.4
607.27716	10.2
618.69464	0.4
637.28979	1.4
768.22693	0.4
794.27106	1.3
824.28564	4.2
949.37427	1.9
979.38171	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02245	1.7
84.57956	1.7
191.07080	1.9
197.12025	1.8
237.32011	1.6
260.07938	11.3
261.08652	15.9
280.76956	1.9
287.10254	2.6
288.64417	1.5
303.29922	1.7
308.09238	1.7
331.09396	2.1
362.18689	9.9
380.19733	40.8
390.18338	3.2
391.15295	2.6
392.19604	3.1
405.73276	1.8
406.17654	100.0
418.17679	19.0
421.10397	3.0
435.57892	2.0
436.18887	6.8
452.18280	3.4
543.25824	16.5
561.27228	36.4
573.26794	3.1
589.26660	3.6
591.27966	11.4
619.28058	3.6
738.24896	12.2
767.29333	46.7
797.29773	11.1
947.35077	2.9
977.35889	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03394	0.3
89.03889	0.4
110.05967	0.4
116.39075	0.3
118.00951	0.2
131.43619	0.3
133.39545	0.3
135.04347	1.5
136.07553	0.9
145.02852	2.2
154.08580	0.4
163.03903	24.8
164.06998	0.4
222.81528	0.3
236.46884	0.3
241.13335	0.3
259.14404	0.6
284.11447	0.7
285.12347	13.6
291.76520	0.3
360.16931	0.3
362.18509	3.3
363.16742	0.4
364.20334	0.5
378.18076	1.4
379.18823	0.4
380.19736	9.0
380.24304	0.5
382.21286	1.5
390.18146	1.6
391.15158	2.2
392.19897	0.4
405.16785	0.3
406.17636	67.0
408.19189	15.0
409.17780	0.4
418.17834	1.9
422.20752	2.3
424.18610	0.5
426.20282	7.9
427.18497	0.4
430.68500	0.3
434.17191	1.0
436.18835	2.5
451.17322	1.0
452.18176	99.6
482.19266	2.9
543.25879	2.7
545.27728	0.6
561.27161	4.8
589.27045	0.5
607.27563	11.5
632.22394	0.3
637.28345	1.4
650.88293	0.4
681.37726	0.3
720.60876	0.3
768.30530	0.4
794.27594	0.5
824.28552	5.2
949.37585	3.9
979.38196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97292	0.4
88.46705	0.6
93.98020	0.5
106.97594	0.5
130.50349	0.6
144.08093	24.9
145.08972	0.7
158.09642	1.2
170.09642	100.0
171.10428	33.3
176.15926	0.5
201.13857	6.5
202.14656	33.2
317.57343	0.5
487.27036	69.3
501.28806	0.8
535.91327	0.7
973.53961	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	975.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
73.47423	1.4
85.07559	1.3
119.83710	1.5
128.45277	1.3
147.04413	16.9
165.49831	1.5
174.01561	1.4
179.71144	1.5
195.88957	1.4
262.83478	1.4
285.12292	13.9
322.86591	1.6
358.56808	1.4
362.18604	2.6
378.18143	2.5
380.19711	11.9
390.18567	2.3
391.15585	2.2
406.17621	89.2
408.19238	14.6
409.87201	1.4
426.20352	9.3
436.19107	5.9
452.18155	100.0
482.19254	2.4
529.33136	1.6
543.25995	1.9
561.26794	4.9
607.28021	8.9
820.25238	10.0
847.09375	1.6
889.34235	2.3
901.33313	1.7
931.36096	7.9
945.33582	6.6
975.35156	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66792	0.3
70.06572	1.6
70.27689	0.3
73.60114	0.4
74.14198	0.4
80.14766	0.4
137.05989	0.5
144.08104	28.5
158.09642	1.5
170.09653	100.0
171.10432	18.8
175.07692	0.5
201.13866	4.5
202.14664	11.2
299.41486	0.4
301.19147	2.2
317.66492	0.4
555.40887	0.4
945.54700	0.5
950.32385	0.5
967.44336	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.399
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05042	0.8
77.78947	0.6
80.05035	1.2
81.03425	0.9
82.06586	6.4
84.04498	11.1
84.08165	1.0
84.55771	0.5
96.04491	4.8
97.02932	0.6
98.06049	6.2
98.98073	0.6
102.05567	2.7
108.04480	12.0
109.02900	4.2
116.07071	5.2
126.05513	58.2
128.07076	75.5
129.06631	0.7
130.05002	3.2
138.05502	54.2
144.06569	9.9
145.09763	3.4
153.10223	0.9
167.11855	1.0
168.06555	39.9
173.09215	100.0
186.07635	13.2
191.10254	4.3
199.10776	20.7
210.07695	0.7
211.10783	1.0
227.10226	4.0
228.08701	2.4
230.10297	2.2
235.10805	1.2
238.12009	0.8
239.10257	25.2
244.12900	5.0
246.09747	6.8
257.11423	3.1
258.09631	3.9
262.14005	15.2
266.11411	1.1
284.12415	5.2
285.11105	0.8
301.13983	9.5
302.13449	17.4
314.43124	0.5
324.88367	0.6
328.14792	1.7
329.13330	1.1
373.17111	1.3
391.18277	6.5
473.10788	0.7
534.24481	3.7
574.22229	5.3
628.25104	0.8
630.26245	4.2
719.30872	25.4
726.41888	0.7
841.20740	0.6
875.35059	0.9
964.39886	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	0.4
70.06588	0.5
80.05015	0.9
80.40762	0.2
81.03406	1.3
82.06585	5.9
84.04028	0.3
84.04513	7.5
84.08144	1.5
90.05566	0.3
92.17856	0.4
96.03902	0.4
96.04494	7.5
97.02892	1.2
98.06068	5.9
99.04456	0.4
99.69507	0.2
102.05540	2.9
102.62930	0.3
104.28728	0.3
109.02893	2.2
110.06091	0.5
116.07092	5.4
126.05520	20.2
127.03941	1.0
128.07082	62.8
129.06606	1.0
130.05025	2.0
138.05508	100.0
140.07080	0.3
144.06566	19.8
145.09732	4.2
147.07704	1.7
150.05524	0.6
153.10225	0.9
154.08685	0.3
155.08133	0.3
156.06578	0.4
162.07600	0.3
165.10274	0.4
167.11819	1.2
168.06561	22.6
172.67397	0.3
173.09219	85.6
186.07614	16.9
191.10307	2.5
191.11856	0.3
193.09784	1.3
199.10786	20.0
201.08748	0.3
204.08716	0.4
211.10851	1.6
218.11440	0.3
221.09177	0.3
226.11871	0.4
227.10223	2.2
230.10333	1.4
235.10811	0.9
238.11972	0.5
239.10266	23.6
244.12917	5.7
245.11249	0.4
246.09715	3.9
257.11307	2.3
258.09766	1.6
262.13980	12.0
265.11987	0.3
266.11337	1.1
280.91107	0.3
282.14523	0.4
284.12442	5.0
285.10703	1.8
301.13922	7.3
302.13477	15.9
310.14142	0.4
328.15118	1.4
329.13489	1.6
373.17160	1.1
389.42044	0.2
391.18298	6.1
445.19022	0.5
455.92352	0.2
465.60403	0.3
496.19263	1.1
516.23004	0.3
516.30164	0.3
534.11938	0.3
534.24036	3.6
574.22449	4.6
612.25024	0.3
619.87555	0.3
630.26154	3.7
719.31006	19.4
875.34888	1.0
964.39886	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06605	6.4
84.04511	7.6
84.08121	0.9
96.04493	8.7
98.06086	4.5
102.05529	1.7
109.02904	1.4
116.07107	5.7
126.05526	23.9
126.06442	1.1
128.07079	61.3
130.05006	1.8
138.05508	100.0
144.06552	22.1
145.09752	3.1
147.07626	1.4
156.59406	0.9
168.06563	26.1
173.09216	81.5
186.07610	20.7
186.61266	1.1
191.10146	2.5
193.09813	1.3
199.10780	17.9
199.12549	0.9
214.07169	0.7
215.90643	0.8
239.10260	24.2
244.12997	6.9
245.11618	0.9
246.09831	4.4
257.11343	1.8
258.09766	1.7
262.13922	11.0
266.11386	0.8
284.12418	5.8
285.10922	1.0
301.13855	6.3
302.13522	16.4
307.59720	0.8
328.15155	1.3
373.16998	1.1
391.18442	6.7
396.75311	0.8
445.19675	1.1
527.42737	0.9
534.24200	1.6
574.22504	4.6
630.26227	1.8
703.26984	1.0
719.30920	20.7
803.25836	1.0
875.36145	1.2
964.39862	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	963.386
Annotation	Unknow
Peak:m/z	Relative Intensity
77.67531	0.5
85.02876	0.6
94.66143	0.4
103.05478	3.7
147.04430	10.7
163.03926	0.7
192.46053	0.5
202.58710	0.5
266.21692	0.5
285.12265	6.5
362.18579	3.7
380.19693	9.4
390.17957	1.7
406.17624	57.4
408.19165	11.8
418.17599	2.2
422.20615	0.6
426.20255	6.1
436.18610	5.6
438.20410	0.6
452.18188	100.0
482.19095	5.8
543.26233	2.4
561.27032	9.7
589.26288	1.1
590.25122	2.0
591.28558	0.8
598.21838	1.1
607.27667	20.2
616.22797	7.8
637.29303	3.7
646.24036	2.7
771.32227	3.4
801.33417	38.6
933.37848	2.6
963.38684	71.2
966.04358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
82.86586	0.8
83.16200	0.9
88.78051	0.9
96.57236	0.9
100.83589	1.0
135.04448	1.6
145.02879	4.1
163.03909	47.2
199.42247	1.0
284.11792	1.0
285.12329	42.1
285.15323	1.4
378.18430	1.6
391.15244	6.8
406.17630	86.1
408.19217	32.6
426.20111	1.2
436.18893	4.5
451.17334	1.4
452.18164	81.1
482.19498	3.7
692.69757	1.1
745.52313	1.0
824.28760	11.1
961.37091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31551	1.1
70.06603	2.4
72.08170	5.4
79.33459	1.0
82.53977	1.2
86.07274	1.5
87.07995	2.6
88.82805	1.1
96.10672	1.1
98.00687	1.3
100.08791	2.6
114.10282	10.8
131.12991	2.5
136.07610	1.3
157.10895	2.1
163.03896	27.2
163.05138	1.3
170.93803	1.3
172.13327	1.5
236.13011	4.7
278.15103	1.9
285.12372	14.9
294.17004	2.5
295.17920	7.0
339.80606	1.4
378.18283	1.5
383.12366	1.4
391.16132	1.4
394.18063	2.7
406.17603	35.7
408.19177	15.8
421.14423	1.6
452.18222	40.3
452.24063	1.7
482.19992	1.3
522.20416	2.3
540.21204	8.4
558.22815	4.9
566.20203	1.3
599.37103	1.3
671.32147	1.2
824.28589	1.8
931.42365	1.8
961.41968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06615	2.0
120.08106	8.0
122.09675	36.2
123.08052	4.8
138.09151	16.9
142.46268	2.2
148.11209	4.9
161.79948	2.0
176.10709	14.7
187.62062	2.6
188.10658	4.4
191.35945	2.0
204.10284	23.1
208.44067	2.5
214.05988	2.3
258.09985	9.6
260.07944	19.9
261.08719	30.7
285.08850	4.1
287.10388	12.0
289.11780	9.7
301.11908	9.3
313.08209	21.0
314.08719	2.6
315.09747	34.0
340.10168	2.5
374.15082	3.8
380.20132	2.7
389.17575	2.8
391.09192	3.5
402.08801	3.2
403.09009	28.3
406.17703	14.6
418.17773	16.8
419.08908	5.5
421.10303	14.5
423.07303	2.9
429.10846	19.0
434.17355	5.5
436.15085	14.0
452.18280	17.5
457.10483	10.3
475.11450	5.4
583.15912	4.9
594.18591	18.3
594.26996	2.6
612.19635	14.5
642.20801	3.1
733.29517	3.0
749.28131	21.2
749.40179	2.2
761.27423	8.2
779.29614	19.6
822.27496	3.9
839.27332	2.9
929.34387	63.3
941.34753	19.9
959.35413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52231	0.6
70.06596	1.4
72.72534	0.7
93.69422	0.7
114.10296	0.8
135.04390	1.3
145.02850	1.2
163.03903	49.8
221.74580	0.7
284.11575	2.9
285.12317	33.6
378.18677	1.1
391.15186	5.7
406.17609	83.3
408.19199	36.4
408.24493	1.4
426.20230	1.1
436.18890	3.7
451.17139	1.2
452.18173	100.0
482.19360	3.5
824.28076	5.7
931.34515	1.1
961.37067	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6257
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09711	20.3
104.10753	78.3
125.00020	3.7
184.07355	100.0
218.59334	2.1
222.77539	2.0
231.21140	2.2
313.27496	3.8
388.70966	2.2
393.23297	2.5
417.55386	2.4
478.33170	2.4
496.33939	92.7
522.57013	2.1
823.56189	2.9
922.08594	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	952.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.9
78.02791	1.0
79.75997	0.8
85.02937	1.8
99.04465	1.0
121.10087	1.2
125.43242	1.0
140.03439	100.0
141.31694	0.8
152.78145	0.7
159.11786	1.1
179.03925	0.8
193.64261	0.9
199.14839	1.1
218.08940	0.8
266.47083	0.9
295.21716	0.9
432.29745	0.9
507.02448	0.9
542.31165	24.4
704.36298	10.3
952.41138	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	945.435
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63335	0.6
70.06593	1.1
72.08156	5.1
82.56406	0.7
110.06043	1.6
114.10295	14.0
131.12964	2.7
136.07622	2.8
138.64583	0.8
154.08731	1.1
163.04005	0.9
164.07104	1.2
182.08223	3.2
242.79312	0.8
360.17371	1.0
378.18097	1.0
380.19910	0.9
406.17603	16.0
406.22562	0.9
436.18631	16.1
452.18619	0.9
464.18460	0.9
482.19424	5.3
508.18774	1.0
523.22748	1.3
524.21729	13.9
540.21802	1.3
542.22968	9.5
550.19983	1.2
566.19318	0.9
568.20978	10.4
612.32520	1.4
630.21710	1.2
630.33484	0.9
637.31750	4.2
638.30402	1.0
646.24414	0.8
655.32513	5.9
783.32672	6.8
783.45386	0.9
915.42889	6.0
945.43579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42151	0.7
70.06610	4.1
72.08169	4.6
77.66668	0.8
92.17812	1.6
110.06062	1.3
114.10284	12.8
115.08692	1.0
122.06042	1.1
131.12982	1.2
136.07562	1.7
138.09132	1.0
147.04456	1.8
154.08687	0.9
159.90375	0.7
163.03923	0.9
164.07144	3.4
167.07224	0.7
167.52142	0.8
173.01120	0.8
182.08223	5.2
184.68950	0.9
223.06500	0.9
240.04675	0.9
244.43829	0.8
294.17010	0.9
295.17307	0.9
378.18402	1.3
406.17917	1.5
408.19400	1.3
452.18448	3.0
471.12094	1.2
482.20438	1.5
523.23645	1.1
524.21851	12.6
542.22882	10.8
550.19989	1.2
568.20752	10.5
612.32135	2.0
637.31531	1.9
638.29913	1.5
655.32318	7.1
663.29608	1.2
681.30957	1.1
915.42627	3.7
945.43597	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	945.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03848	0.4
77.51422	0.4
92.18474	1.2
94.72965	0.4
97.02805	0.5
99.76988	0.5
103.05486	4.5
103.25407	0.4
146.40120	0.4
147.04414	18.3
163.80222	0.5
217.77747	0.5
285.12357	12.7
391.15427	0.5
406.17624	56.7
408.19232	19.0
418.17917	3.1
426.20523	0.9
436.18719	12.0
451.17786	0.6
452.18179	100.0
464.18204	0.6
472.00345	0.5
482.19156	7.8
598.22266	2.5
616.23077	9.9
619.27124	1.8
646.23810	3.1
709.04602	0.5
753.31769	1.0
783.32306	24.2
808.28955	0.7
913.08765	0.5
915.35876	1.9
945.37610	51.5
945.63489	6.2
950.35034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
71.83768	0.5
72.08069	0.6
72.59848	0.5
73.80287	0.5
77.95766	0.5
80.70309	0.5
91.05406	0.5
97.02855	0.7
103.05486	5.5
120.49889	0.5
123.04233	0.6
147.04420	19.2
147.05544	0.7
154.47200	0.6
155.74821	0.6
160.54889	0.5
265.58084	0.6
282.24194	0.5
285.12366	13.3
380.19647	0.6
391.16000	0.9
406.17609	66.2
408.19244	20.5
418.17624	3.8
436.18726	13.2
452.18182	100.0
482.19073	7.5
525.66522	0.6
589.26471	0.7
598.21753	1.1
616.22931	10.0
619.27405	1.1
646.24097	3.2
753.31262	2.0
783.32324	32.3
798.67578	0.8
808.29523	1.1
871.40894	0.6
915.37360	2.2
945.37695	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29311	0.7
68.54079	0.6
70.06646	0.6
72.08164	3.1
73.06429	1.2
86.07195	4.2
87.07973	1.5
98.48451	0.7
99.94033	0.7
100.08756	3.6
114.10295	8.3
115.08693	2.7
130.12158	0.8
131.12933	0.9
136.03979	0.8
172.13205	4.1
233.05196	0.7
234.13655	0.9
235.14368	0.8
236.12869	3.5
250.42107	0.7
278.15079	1.5
294.16879	10.0
295.17636	5.2
362.18689	10.5
380.19635	10.7
404.16043	1.3
406.17606	16.1
447.15411	1.0
452.18552	0.9
524.22058	5.2
526.23029	1.2
542.23199	3.1
544.24719	2.7
568.20636	7.2
570.22620	4.8
612.32086	0.9
614.21735	3.3
614.32788	0.8
630.32831	1.4
638.29993	2.6
656.31030	1.2
657.34521	1.2
682.30469	0.8
913.41510	4.9
943.41931	100.0
974.59192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.376
Annotation	Unknow
Peak:m/z	Relative Intensity
95.31747	0.9
100.25454	0.8
101.46881	0.8
111.10296	0.8
119.29846	1.0
147.04440	5.0
155.06007	0.8
163.03900	0.9
163.07518	0.9
164.07037	1.4
167.07054	5.1
168.07280	1.0
181.04971	1.3
238.05608	1.2
259.14456	1.7
380.19687	26.5
382.21317	14.4
406.17773	1.9
408.19342	1.4
410.20917	9.9
426.20233	100.0
436.18845	1.3
452.18185	3.6
456.21616	6.8
527.25970	1.1
566.20697	1.2
572.24133	6.8
572.32904	0.9
590.24994	60.7
620.25995	18.3
782.31366	20.3
783.32281	37.4
808.28925	1.1
915.35974	3.5
945.37701	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	939.675
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08159	1.7
73.04037	0.3
82.33333	0.1
88.62642	0.1
89.57521	0.1
96.45915	0.1
97.07626	0.6
98.06039	0.6
103.05464	1.4
110.68519	0.1
114.10291	15.9
115.08690	8.9
115.09529	0.2
131.04927	20.4
131.12912	0.2
201.13873	13.4
202.12268	19.4
219.14897	2.1
241.01112	0.2
244.14438	21.5
244.92790	0.2
252.43985	0.1
261.17096	100.0
448.62634	0.1
464.02716	0.2
519.79193	0.2
679.51044	0.2
939.67816	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	935.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74667	1.7
77.42310	1.8
82.76941	1.5
92.18448	4.3
103.76182	2.0
105.64354	2.0
118.44704	1.6
131.37784	1.7
150.52820	1.8
174.69823	1.8
208.88457	2.3
250.89577	6.6
250.97192	100.0
381.08075	3.3
593.08789	15.1
647.46295	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	935.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	0.3
72.08144	2.0
79.62534	0.4
85.02908	4.6
87.12936	0.3
89.10774	1.4
91.04000	0.3
97.02895	1.4
98.06052	0.3
107.80083	0.4
108.43823	0.3
115.08699	0.3
127.03916	1.8
135.04425	0.7
145.02904	2.8
145.05002	2.0
154.27692	0.3
163.03902	100.0
177.05496	1.7
234.11311	1.5
251.13922	1.4
274.18924	0.3
309.71582	0.3
396.16721	0.4
413.19199	47.6
427.20511	0.5
638.59839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
115.45380	0.3
118.06539	3.3
118.07228	0.4
130.32967	0.4
132.08069	2.6
144.08095	7.4
146.06013	38.5
159.09164	4.1
166.96033	0.5
170.06018	1.8
175.07622	0.4
188.07066	100.0
205.09737	41.9
281.92184	0.5
300.09958	0.6
321.11209	0.5
353.13879	0.8
371.14767	3.7
589.97644	0.5
837.35376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.413
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77786	0.1
70.06567	0.2
72.08163	2.7
81.61820	0.1
83.46448	0.1
86.09673	0.4
89.03861	0.1
104.10743	0.7
117.03343	0.4
130.02881	0.1
145.02858	3.3
149.05940	0.1
154.97565	0.1
163.03883	0.2
177.05467	9.8
206.05754	1.5
221.08092	100.0
222.11160	0.1
245.37729	0.1
280.15421	0.2
362.18518	0.2
390.18076	0.2
406.17694	1.0
408.19189	0.2
420.19394	0.1
426.20352	0.1
452.18118	3.5
466.19821	0.2
498.57321	0.1
589.25507	0.1
621.25690	0.8
771.73114	0.1
900.40216	2.4
900.57397	0.1
928.19861	0.1
930.41266	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	927.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55375	0.2
71.88342	0.2
77.53358	0.2
80.67345	0.2
88.35997	0.2
100.82427	0.2
111.59675	0.2
160.07574	36.4
160.61989	0.3
161.08360	0.3
170.09679	1.0
174.09137	1.3
175.10011	0.3
186.09143	100.0
187.09923	48.0
202.10988	0.4
202.86676	0.3
203.11743	0.3
217.13345	5.5
218.14145	52.2
221.48543	0.3
317.18457	0.5
336.11917	0.3
456.86746	0.3
464.25464	87.8
478.27109	0.3
712.64087	0.3
756.11957	0.3
927.50208	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	929.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08163	3.3
73.06430	2.5
86.07179	3.2
87.07980	2.6
93.07047	0.5
97.07650	1.0
100.08749	5.2
104.20106	0.4
110.06071	1.9
112.08730	0.6
113.08408	0.5
114.10286	10.3
115.08688	2.9
124.07607	0.6
130.12173	0.8
131.04922	1.9
131.12935	0.7
136.07629	1.0
138.09192	0.6
154.08690	0.6
158.11844	0.4
163.03871	0.5
164.07147	1.9
172.13214	3.4
182.08179	3.1
201.13858	0.7
202.12312	1.8
219.62743	0.5
234.13692	0.8
235.14407	1.5
236.12785	4.5
244.14540	1.0
260.11624	0.6
261.17087	6.9
270.42581	0.5
278.15134	2.1
294.16891	11.4
295.17575	4.7
362.18558	6.1
363.17215	0.8
378.18079	0.7
380.19708	12.1
393.17819	0.7
406.17599	12.8
447.15710	1.8
452.18143	0.7
517.24463	0.5
524.21967	3.9
526.23328	2.5
542.23059	3.0
544.24591	1.8
544.64459	0.4
550.19788	0.9
552.21564	0.7
561.27338	0.6
568.20776	6.1
570.22473	4.5
588.23694	0.7
612.31964	0.8
614.21710	0.9
614.33582	0.7
630.33167	1.0
638.29535	0.9
639.33447	0.6
640.31506	0.8
656.30957	2.5
657.34326	2.0
658.32288	0.6
664.28467	0.9
682.27966	0.6
860.71143	0.5
899.42889	3.8
929.44080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	2.4
69.03434	27.8
69.85578	1.6
71.04986	3.3
73.02906	3.1
73.26475	2.0
81.03418	18.9
81.07057	11.7
85.02908	98.7
87.00825	42.2
87.07910	1.5
91.05470	2.7
93.07030	4.2
95.08604	11.4
97.02900	53.3
99.04467	17.1
100.09592	1.8
103.03951	1.7
105.01878	77.1
105.07048	7.6
107.08596	11.0
109.02888	40.6
109.10144	20.6
116.51040	1.9
119.08558	4.4
121.10144	18.3
121.62087	1.7
123.11697	3.9
127.03916	100.0
129.01848	2.0
133.10117	11.6
135.11676	9.0
139.11172	6.7
145.04970	28.4
145.10106	4.0
147.11674	20.3
149.13326	4.0
151.11201	1.9
157.10046	2.6
159.02881	10.2
159.11711	9.2
161.13289	12.7
163.14816	4.2
173.13229	8.8
175.14764	2.4
179.10620	2.5
185.13242	3.4
187.14766	2.4
189.04027	2.4
193.12219	14.0
199.14792	9.5
201.16447	2.6
207.13805	3.1
213.03976	10.8
213.12665	2.0
213.16415	2.6
221.15375	2.9
227.14430	2.0
227.17885	3.6
231.05005	39.1
239.76978	2.1
243.21117	2.1
249.06073	31.5
255.21069	57.0
273.22159	19.0
277.21573	2.0
283.20667	2.9
291.23212	3.6
301.21634	91.7
319.22568	20.7
337.23749	30.5
357.08209	3.0
375.09268	11.3
393.10245	38.1
411.11319	54.3
499.28464	2.0
503.26416	2.4
521.27655	3.8
531.25720	4.2
549.19604	1.9
549.26874	14.1
567.28015	19.8
585.28845	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	923.69
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02827	1.0
69.02219	0.9
69.07083	2.3
70.06602	6.0
84.08162	1.0
91.32395	1.2
96.08128	17.8
102.43835	1.1
104.72139	1.0
105.52074	1.0
113.10765	8.1
114.09169	64.9
132.10254	2.0
163.03932	1.8
174.23576	1.1
209.16518	28.0
209.18372	1.6
210.14850	1.4
222.11470	1.1
226.19090	11.4
227.17566	11.3
228.15926	26.8
228.17891	1.5
245.18712	6.0
283.35092	1.1
319.86829	1.1
321.26480	1.5
322.24927	17.2
323.15698	1.2
339.27594	4.5
340.26068	5.7
341.24417	14.7
358.27032	5.0
435.33722	4.3
453.34464	7.9
454.32828	2.1
471.35556	4.8
566.43011	4.0
584.44287	2.1
679.51257	2.4
692.02765	1.1
739.51239	1.3
923.69012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.37
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	0.4
72.08152	1.7
85.02906	4.7
89.10791	0.5
97.02891	1.8
107.89507	0.4
109.02921	0.5
127.03924	2.1
135.04372	0.7
145.02841	2.6
145.04959	1.9
163.03902	100.0
164.04163	0.4
234.11302	1.6
248.77820	0.4
251.13773	0.6
396.16272	0.5
413.19196	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	919.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26042	1.4
74.67014	1.6
77.28515	1.4
82.06590	60.4
84.04508	20.2
89.58032	1.8
96.04481	3.9
98.06047	12.3
100.07616	9.8
102.05540	8.4
108.04487	28.6
109.02866	8.1
116.07098	11.9
126.05515	100.0
128.07033	8.1
130.04971	1.8
138.05507	74.9
144.06531	17.9
153.10199	11.4
163.03886	1.9
166.08646	2.1
168.06552	61.4
182.83670	2.4
186.07651	19.4
190.36938	2.1
199.10771	62.2
211.10788	8.4
228.08723	3.2
239.10236	16.5
246.09666	17.1
257.11295	7.6
264.10822	2.6
301.13910	16.7
328.14999	30.7
329.13477	13.3
329.16870	1.6
337.82114	1.7
346.16098	9.2
379.26773	1.8
382.16171	2.6
458.17883	14.9
471.20761	3.1
542.43939	1.8
567.22980	13.0
573.28436	1.6
574.22272	30.5
656.27875	27.2
703.26440	3.5
901.35126	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	920.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47845	1.2
69.03433	1.5
80.05025	1.0
81.03410	1.0
85.02926	9.0
86.75765	1.0
87.00817	1.8
90.78871	0.9
95.08591	1.1
96.04480	1.2
97.02896	2.1
99.04437	0.9
100.46591	1.1
105.01864	1.8
107.08607	2.0
109.02885	3.4
111.66517	1.0
121.10162	3.6
124.03961	100.0
127.03909	7.6
156.35179	0.9
159.02896	1.6
159.11662	1.8
161.13361	1.7
187.14929	1.3
199.01067	1.2
201.16373	7.2
203.17992	1.6
217.19530	1.0
231.05103	1.1
249.06139	1.4
277.36392	0.9
295.24292	2.0
335.57590	0.9
360.15698	0.9
369.28015	10.7
387.29129	1.3
399.40543	0.9
510.32132	11.7
612.88696	1.2
672.37445	7.8
696.86688	1.1
824.36664	1.1
920.42902	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	917.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	0.6
69.44099	0.1
72.08161	2.0
85.02415	0.2
85.02911	4.2
86.63522	0.2
87.04525	0.1
89.03908	0.6
89.10804	1.5
89.40450	0.1
91.03953	0.2
97.02883	1.2
98.06059	0.2
99.04456	0.2
103.43956	0.1
105.30646	0.1
106.60091	0.1
109.02876	0.2
113.95980	0.1
114.05788	0.1
115.08671	0.3
117.03403	0.2
127.03910	1.5
135.04425	1.3
142.50500	0.2
145.02832	2.5
145.04948	2.2
163.03903	100.0
166.45389	0.1
234.11298	2.1
251.13954	1.7
361.87247	0.2
396.16696	0.6
413.19196	47.3
780.45544	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	916.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40446	0.1
68.47131	0.2
70.06575	0.4
72.08166	5.3
84.08112	0.2
86.09667	0.2
91.20850	0.2
104.10745	1.9
107.18166	0.2
117.03287	0.2
131.65099	0.2
138.95819	0.2
145.02861	3.8
163.03857	0.3
177.05473	9.3
206.05759	1.2
221.08099	100.0
240.11699	0.2
259.39124	0.2
280.15530	0.3
285.12366	0.2
401.03912	0.2
404.19775	0.3
406.17657	1.6
408.19400	0.4
420.19110	0.8
426.20154	0.2
452.18188	4.4
466.19901	2.1
607.27881	1.4
641.37775	0.2
886.42365	2.4
916.43433	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86988	0.1
66.66093	0.1
69.19435	0.1
72.08157	1.8
73.04035	0.4
75.53014	0.1
77.03923	0.1
89.10819	0.1
97.07659	0.5
98.06057	0.7
103.05465	1.3
113.51238	0.1
114.10293	18.3
115.08694	10.0
115.09523	0.3
126.89215	0.1
131.04929	21.4
152.18001	0.1
201.13878	14.6
202.12270	20.4
219.14932	2.4
223.87729	0.1
243.15996	0.1
244.14450	20.8
261.17105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	0.4
72.08166	3.7
86.09686	0.4
89.03896	0.2
92.18411	0.3
102.37895	0.2
104.10735	1.0
114.10257	1.8
115.08688	0.8
119.39879	0.2
131.04935	2.0
132.05270	0.2
135.04384	0.4
145.02905	1.5
163.03902	13.2
169.01198	0.2
171.83687	0.2
177.05447	1.9
201.13876	1.2
202.12280	1.5
202.13998	0.2
203.12755	0.2
206.54970	0.2
207.06529	100.0
221.08090	17.8
244.14381	2.0
245.14824	0.4
261.17093	7.3
262.17343	3.0
266.14041	0.3
285.12259	0.3
362.18710	0.3
380.19873	0.5
390.18130	0.4
406.17593	4.3
408.19363	1.7
420.19046	0.3
422.21155	0.2
426.20294	0.8
448.86105	0.2
452.18179	12.2
466.20032	1.1
502.43839	0.2
559.25690	0.3
621.25543	3.8
886.39209	3.2
916.40070	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55520	0.3
70.06573	0.6
72.08164	5.2
91.50216	0.5
104.10738	1.4
121.85490	0.4
145.02837	3.4
160.56494	0.4
164.20267	0.4
177.05443	10.0
206.05824	0.7
221.08090	100.0
231.24979	0.4
259.14438	0.8
285.12329	0.4
382.21210	7.5
406.17661	1.5
408.19376	0.5
426.20218	6.6
440.21857	2.2
452.18051	0.8
456.21243	0.8
466.19931	0.5
680.30280	0.4
836.89624	0.4
884.40106	3.0
914.41815	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	911.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06604	1.1
70.53394	0.5
72.08155	4.2
73.06432	3.2
76.62248	0.5
86.07199	2.4
87.07980	4.0
97.07621	0.6
100.08769	6.1
113.09457	0.7
114.10288	8.8
115.08714	1.3
122.06028	0.7
124.07575	0.8
130.12167	1.2
131.12970	0.9
163.03983	0.8
164.07072	5.4
172.13245	3.6
184.12030	0.7
228.95352	0.6
235.12212	0.9
235.14413	0.7
236.12904	3.7
248.47331	0.6
260.11786	0.7
278.15045	1.0
294.16879	12.6
295.17810	4.2
298.07840	0.7
314.89243	0.6
362.18704	6.9
363.17154	2.7
364.67896	0.7
365.32803	0.7
370.02582	0.8
380.19614	10.9
404.15961	0.9
406.17654	24.1
419.15985	0.7
426.20496	0.8
447.15619	3.4
524.22296	1.0
526.24060	0.9
528.21002	1.0
540.21118	0.9
542.23438	0.9
544.24518	1.4
550.19739	2.8
568.20831	12.1
570.22308	5.6
598.21948	0.9
614.21533	2.8
614.33398	0.7
630.33179	1.3
638.29761	2.4
640.31232	1.0
656.31036	1.5
657.34607	2.7
676.33411	0.8
701.32916	2.4
881.41986	4.2
911.42932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05967	0.4
70.06583	0.7
72.08163	4.7
72.76285	0.4
104.10707	2.3
145.02821	2.0
163.03918	2.0
166.26205	0.4
177.05466	8.4
193.51350	0.4
206.05757	1.0
221.08089	100.0
259.14481	1.7
294.16354	0.4
382.21265	12.1
394.21249	0.8
406.17728	0.9
426.20251	10.6
440.22006	2.6
452.18002	0.4
453.18924	0.6
456.21246	2.3
735.36401	0.9
764.58521	0.5
884.41449	3.6
914.42114	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	911.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36036	1.1
66.45805	1.2
68.88425	1.0
70.06583	9.1
71.07180	1.1
72.08154	7.8
73.06435	1.5
84.08144	1.6
85.01891	1.2
87.07959	1.6
100.08755	8.2
114.10267	10.2
163.04117	1.5
164.07146	5.9
169.09698	1.4
172.13277	5.9
189.29300	1.3
199.69781	1.4
235.14479	1.6
236.12752	2.9
260.11557	1.4
278.14944	1.5
294.16882	14.4
295.17899	5.6
362.18414	8.7
380.19754	11.3
393.17975	1.3
402.51877	1.4
406.17593	29.7
447.15686	2.4
524.22119	1.6
568.20929	11.3
570.22339	6.7
638.30365	1.9
657.34363	2.1
682.28705	1.6
881.42224	5.2
911.43091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	24.4
81.03425	22.3
81.07053	9.8
85.02914	100.0
87.00826	38.1
92.18391	8.2
93.07059	6.2
95.08612	18.6
97.02896	41.5
99.04443	8.9
103.23135	4.5
105.01884	56.9
107.08584	6.1
109.02918	28.8
109.10179	29.4
111.11654	4.3
113.17284	4.0
118.68681	4.0
121.10128	25.6
123.11697	17.5
127.03915	81.0
133.10127	20.3
135.11696	9.4
139.11206	16.9
140.03426	59.8
141.03745	5.6
145.04982	18.1
145.10130	9.2
147.02979	4.9
147.11678	26.7
149.13240	6.1
159.02872	8.1
159.11676	4.1
161.13326	7.4
179.10739	5.3
185.13200	5.0
193.12225	21.1
199.14828	5.3
213.16432	4.1
215.18050	5.1
231.05058	23.2
249.06029	9.0
255.21124	54.7
273.22141	37.3
291.23163	8.4
301.21616	39.4
319.22656	7.4
337.23672	65.8
369.47253	4.7
393.10486	8.7
411.11343	6.6
433.38361	5.0
503.26868	7.2
521.27710	16.4
539.28552	9.5
549.26782	8.2
567.28156	30.2
585.30096	19.2
747.37524	9.0
900.23932	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	902.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06564	0.6
72.08156	9.2
77.20966	0.3
79.66645	0.4
85.34976	0.4
104.10723	2.8
112.33797	0.4
135.91919	0.4
145.02859	0.9
163.03899	14.9
207.06525	100.0
285.12326	0.6
291.95621	0.4
344.13522	0.5
406.17535	5.2
408.19098	2.1
420.19177	2.5
422.20334	0.5
426.20343	1.6
452.18158	21.6
466.19943	2.3
515.76483	0.5
547.47491	0.5
607.27747	3.3
615.62244	0.5
819.89331	0.6
872.40692	2.3
902.41919	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.6797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	3.0
71.08666	0.5
72.27351	0.6
79.05505	1.2
89.06754	0.5
94.60894	0.6
94.84430	0.6
96.08128	20.9
97.06522	0.9
113.10754	10.1
114.09170	95.8
115.07531	1.1
132.10213	1.4
147.04665	0.6
197.33549	0.6
208.18117	3.5
209.16489	47.2
210.15022	3.2
226.19124	18.4
227.17551	10.6
228.15935	33.3
245.18732	3.7
312.81345	0.6
321.26608	3.6
322.24887	27.4
323.23129	1.0
336.43918	0.7
339.27542	10.3
340.26065	3.9
341.24335	17.4
358.26971	1.3
393.80783	0.6
402.68143	0.7
413.61111	0.6
434.35123	1.4
435.33292	8.5
452.35913	5.1
453.34763	2.8
454.33026	3.1
538.00446	0.6
547.43481	0.9
548.42267	1.2
565.44647	2.3
566.43384	0.7
630.00775	0.7
678.52997	2.3
679.51312	0.8
717.18860	0.6
887.66602	1.5
905.67926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36538	0.8
70.06621	1.6
72.08160	13.7
80.44025	1.0
82.51833	1.0
86.09734	1.5
86.20246	0.9
104.10787	1.6
110.06099	1.3
136.07602	1.1
145.02855	1.0
177.51355	1.0
182.75166	0.8
206.05772	3.4
221.08124	8.8
222.08351	1.2
223.06093	1.5
250.48125	0.9
362.18622	9.4
378.18213	1.3
380.19693	22.4
390.18320	6.0
391.15356	7.5
406.17603	100.0
418.17725	1.8
420.19507	1.7
436.18747	7.1
488.57199	1.0
543.26129	13.4
561.27081	28.1
591.28003	2.0
870.39471	1.6
900.40375	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06579	0.2
72.08160	3.1
86.09646	0.2
104.10722	0.7
117.03351	0.5
145.01721	0.2
145.02850	3.8
158.30524	0.1
176.40642	0.1
177.05467	9.8
182.33076	0.1
183.29179	0.1
196.96744	0.1
206.05736	1.1
221.08090	100.0
247.65118	0.1
280.15390	0.2
285.12192	0.2
344.33160	0.1
390.18011	0.2
400.47482	0.1
404.19641	0.5
406.17505	2.0
408.19107	1.0
420.19302	1.1
452.18173	6.4
466.19806	1.2
482.19452	0.3
810.39880	0.1
868.41254	2.6
898.42291	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	898.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63254	0.4
72.08160	6.1
86.09675	0.7
104.10711	2.3
140.07426	0.5
145.02831	4.0
177.05455	11.1
185.61670	0.6
187.75548	0.5
221.08098	100.0
376.71246	0.6
382.21225	2.6
406.17575	1.1
408.19092	0.7
420.19489	2.5
426.20447	2.6
440.21945	0.8
452.18045	5.7
466.19846	1.0
733.24542	0.5
742.57935	0.5
868.41888	2.8
898.42383	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63398	1.3
67.68324	1.3
68.28064	1.3
69.03429	3.2
69.07081	2.8
71.05003	23.4
79.05528	1.5
81.07058	9.7
83.05015	1.6
85.02919	35.5
95.08614	3.3
96.39636	1.2
97.02920	3.4
99.04469	1.7
105.07041	2.4
107.08593	2.0
111.04454	7.0
118.49992	1.3
127.03940	5.8
129.05492	5.9
131.08568	2.4
133.10136	2.6
137.05971	1.6
139.11206	2.2
145.10152	5.4
147.44493	1.3
153.12773	2.2
157.10155	9.0
159.11777	2.2
171.11748	1.9
177.12758	3.1
185.13361	1.3
186.09100	1.9
211.14960	1.5
213.16368	16.2
213.18288	1.5
251.18166	2.2
453.60641	1.3
495.42776	1.5
576.33521	1.6
897.48486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53848	0.8
67.95379	0.8
68.64357	1.0
70.06615	1.7
72.08159	11.8
74.13096	0.9
86.09688	1.2
88.15350	0.9
95.21937	1.0
97.07658	4.3
103.05477	4.5
114.10297	41.4
115.08708	5.8
131.04927	43.7
131.12924	12.9
138.84993	1.1
163.03885	2.1
167.07033	1.2
201.13904	16.2
202.12271	19.4
219.15005	1.6
244.14473	20.4
256.46939	1.0
261.17099	47.2
264.09650	1.1
285.12366	1.6
362.18704	3.8
380.19852	5.4
390.17941	1.3
393.02274	1.0
406.17606	29.3
406.22687	1.5
408.18988	10.5
422.20389	1.2
426.20340	11.6
452.18173	62.9
505.30145	1.0
545.27917	1.3
554.76282	1.2
555.26556	1.4
561.27155	3.9
589.27448	1.2
607.27435	13.3
695.32538	1.4
867.43903	20.8
897.45038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79517	0.6
70.06592	2.6
71.69549	0.7
72.08162	11.7
75.08824	0.6
89.10772	1.1
90.30324	0.6
97.07664	4.3
105.54454	0.6
114.10303	41.5
115.08719	7.5
115.99984	0.6
119.05003	1.3
123.50454	0.6
124.82226	0.7
131.12932	16.2
137.31395	0.6
144.44547	0.7
144.83470	0.6
146.06042	0.8
147.04425	82.0
192.89957	0.7
195.56813	0.7
216.26588	0.7
217.13402	10.4
218.11783	10.6
234.24646	0.6
235.14429	1.3
260.13940	14.4
260.16260	0.8
277.16629	36.4
277.19650	1.4
285.12485	2.5
313.75592	0.7
362.18668	1.6
380.19858	4.6
382.21832	1.1
390.18286	1.1
406.17657	41.7
408.19199	9.9
409.17773	1.2
417.95721	0.8
426.20233	13.7
426.24600	0.7
436.18997	1.3
452.18210	97.7
482.20050	0.8
583.07031	0.8
589.26868	1.0
596.09711	0.8
685.34180	1.3
711.31458	1.6
865.26776	1.1
865.42590	22.4
895.43579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54195	0.4
68.49732	0.5
70.06542	2.6
70.06886	0.4
72.08101	0.5
74.09949	0.5
78.14335	0.4
81.07018	0.5
84.08115	0.8
90.65739	0.4
110.05993	0.7
119.04875	1.1
119.81841	0.5
120.63755	0.6
136.07523	1.0
146.52786	0.5
147.04430	15.2
154.73409	0.6
163.03783	2.3
164.07089	0.6
167.07019	0.8
248.00682	0.5
284.11563	0.7
285.12375	11.9
297.92621	0.5
362.18777	4.1
363.17413	0.7
378.18137	2.7
380.19742	9.0
390.18192	2.2
391.15344	2.6
406.17633	79.8
408.19257	13.5
409.17371	0.6
418.17697	1.2
422.20532	1.9
424.18887	1.0
426.20053	6.4
436.18832	0.9
452.18185	100.0
482.19073	1.0
543.25946	2.9
545.27032	0.8
561.27179	3.6
607.27252	5.0
637.28442	1.2
704.24194	3.8
734.25775	5.7
859.33020	4.1
871.64532	0.6
889.35022	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	887.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98936	0.5
72.08158	12.3
89.10799	5.9
114.10404	0.7
116.30416	0.6
135.04460	0.6
145.02864	2.4
163.03894	26.4
190.11528	0.6
192.10213	0.6
201.13823	0.6
206.15411	0.6
232.03232	0.6
233.12834	7.6
234.11237	6.5
251.13872	1.1
261.17215	3.1
285.12256	5.1
362.18774	3.6
364.20508	1.1
380.19586	8.8
382.21036	0.7
390.18130	6.4
392.20044	1.2
402.18430	0.8
406.17615	60.9
408.19202	10.7
418.17496	4.9
426.20175	4.7
434.17316	1.2
436.18640	4.4
437.16129	0.9
452.18170	93.9
464.18378	1.1
482.19437	2.6
543.26208	2.9
545.27667	5.2
561.27100	9.7
607.27570	8.9
702.32184	1.0
857.40710	8.1
887.41797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80973	1.8
62.86960	1.8
69.05807	3.8
70.06590	24.3
72.08160	9.1
127.08678	3.0
134.03654	2.7
136.07565	2.0
162.03185	2.9
163.03908	10.6
181.04965	12.4
189.10268	2.8
215.08238	4.1
216.08931	2.4
221.10451	3.9
233.10454	10.4
234.09959	3.5
250.13132	10.6
260.07916	18.2
261.08713	100.0
271.10776	2.7
273.08664	3.0
285.08575	3.3
287.10281	41.5
301.11670	8.0
301.17505	2.1
301.77640	2.3
313.08267	4.8
331.09155	24.1
365.18689	2.9
367.12357	4.9
375.09329	3.0
377.11087	3.0
378.18265	8.4
380.15982	2.8
392.19681	10.0
393.10794	12.5
395.12344	23.8
395.19525	14.7
398.16922	8.3
403.09042	8.3
406.17554	15.9
421.10367	31.3
424.18723	3.2
436.18839	5.1
445.39349	2.3
451.21060	3.9
468.17844	4.3
491.19247	2.3
529.28125	3.7
553.17181	3.4
573.26636	3.9
574.28064	4.6
592.28955	13.1
637.28882	36.3
641.23578	2.7
646.28949	46.8
758.49542	2.2
814.11346	2.2
885.40350	85.2
890.72101	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	884.407
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87294	0.2
70.06569	0.8
72.08157	9.0
85.96575	0.2
86.03355	0.2
86.09706	0.2
90.09141	0.4
104.10738	3.1
117.03358	0.2
135.04359	0.7
145.02841	1.5
163.03896	15.1
177.05487	1.0
191.07037	0.4
207.06526	100.0
266.13901	0.4
285.12332	2.5
380.19608	0.4
404.19562	1.4
406.17590	11.9
407.17978	0.4
408.19165	4.7
409.19778	0.2
420.19266	3.2
426.20325	1.2
427.20755	0.3
450.20514	0.3
451.17758	0.3
452.18140	25.6
453.18860	0.4
466.19751	4.1
482.19223	0.8
496.20999	0.4
619.26959	0.3
854.39917	2.8
884.40839	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	884.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06569	0.4
72.08163	4.6
74.43761	0.2
89.03905	0.3
90.09169	0.3
104.10711	1.1
107.46078	0.2
113.33959	0.1
118.24937	0.2
129.77495	0.2
130.35831	0.1
135.04405	0.4
145.02856	1.1
163.03903	13.3
172.28651	0.2
191.07030	0.3
191.08859	0.2
204.57188	0.2
207.06529	100.0
264.42218	0.2
266.13919	0.7
267.82684	0.2
285.12244	1.9
358.24814	0.2
390.18298	0.3
404.19666	0.3
406.12173	0.3
406.17584	7.3
408.19128	3.1
420.19220	1.8
426.20319	0.3
451.17609	0.3
452.18170	23.1
459.99319	0.2
466.19583	1.9
482.19327	0.9
496.20639	0.2
589.26898	0.3
619.26904	0.3
790.71973	0.2
854.39832	3.6
884.40802	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93745	1.5
70.06590	2.7
72.08156	9.1
86.49008	1.7
96.20936	1.6
122.06065	2.9
136.07610	2.8
142.49478	1.8
155.01405	1.7
164.07104	13.3
167.07056	2.0
173.77687	1.9
179.59937	1.4
188.10835	1.8
192.50169	1.5
259.09512	1.8
286.38223	1.6
348.08698	11.3
365.11542	3.8
367.39514	1.6
391.09381	14.4
393.11179	2.2
462.42300	1.9
463.10638	1.9
522.20764	8.3
523.18103	1.7
535.18683	3.7
538.19720	2.2
540.21454	21.3
552.21423	2.8
564.18109	3.5
566.19269	18.7
578.19330	3.8
596.20166	2.9
602.21429	3.9
883.38696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.0
69.03432	5.7
69.07079	5.3
71.01358	0.7
71.04999	31.0
73.02908	0.8
75.04488	2.2
79.05499	1.0
81.03377	0.5
81.07072	9.7
83.04988	4.6
83.08637	0.9
85.02912	42.4
87.04456	1.6
91.05502	0.5
91.36058	0.4
92.17778	0.5
93.07060	2.3
95.04983	0.5
95.08617	4.9
97.02869	3.1
97.06541	0.9
99.04470	1.1
99.08107	0.6
100.34165	0.5
105.07060	2.2
107.08607	2.5
109.02876	0.5
109.06520	1.0
109.10137	1.0
111.04444	9.9
111.08098	0.5
113.06039	2.9
119.08556	0.9
121.10182	3.4
123.08121	0.4
125.05977	1.7
127.03914	0.9
129.05486	9.3
131.08563	4.7
133.10144	3.1
135.08118	1.0
135.11739	2.8
137.09578	0.5
139.11191	3.9
143.08595	2.9
145.10126	3.8
147.06508	0.7
147.11728	2.3
149.13348	0.5
153.12730	4.2
157.10156	6.4
159.11713	2.3
163.11195	1.0
169.10184	0.6
171.11653	3.9
173.13141	0.5
177.12750	3.2
179.14311	1.7
181.12283	0.7
183.11729	0.6
185.13329	0.7
187.14890	0.6
195.11748	0.8
195.13802	0.9
197.13373	0.8
199.14880	0.6
209.13327	0.8
211.14868	3.0
213.16379	16.7
213.18236	0.7
218.02541	0.5
223.14943	0.6
235.14742	0.4
251.18060	2.7
279.21106	0.7
297.22635	0.5
333.48917	0.6
374.62552	0.4
409.31268	0.9
427.32202	2.1
735.42279	0.7
881.48938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34444	1.2
81.03429	5.0
85.02905	1.4
85.48018	1.2
92.18425	1.2
99.04451	2.9
99.89654	1.2
109.02885	27.2
111.30533	1.2
117.03326	2.2
127.03915	15.1
135.59084	1.3
135.98723	1.2
145.02866	27.0
169.04958	19.6
177.05467	100.0
289.09302	1.7
290.35202	1.6
303.08691	1.7
345.09747	12.5
454.41248	1.4
557.16638	35.1
802.39020	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	0.8
69.03432	3.2
69.07067	4.2
71.01356	0.5
71.04995	28.8
73.02916	1.4
75.04469	2.5
78.09025	0.3
79.05489	0.7
79.99932	0.3
81.07060	9.2
81.86033	0.4
83.04984	4.4
83.08620	0.8
85.02905	39.2
87.04480	0.7
91.05465	0.6
93.07046	1.6
95.04977	0.8
95.08602	3.7
97.02880	2.2
97.06516	0.7
99.04472	0.8
99.08080	0.5
101.05993	0.3
102.27693	0.3
105.07024	2.5
107.08562	2.6
109.06503	0.7
109.10168	1.6
111.04446	9.6
111.05155	0.5
111.08108	0.8
113.06002	2.1
117.05484	0.5
117.07081	0.5
119.08583	1.9
121.06508	0.8
121.10116	2.8
123.11720	0.7
125.05964	0.5
127.03898	0.7
128.13687	0.3
128.80447	0.4
129.05479	7.8
131.08556	4.2
133.10138	3.1
133.86600	0.3
135.08044	0.7
135.11713	2.0
137.09636	0.8
139.11191	3.1
141.06963	0.5
143.08580	1.6
145.10118	4.4
147.06499	0.8
147.11703	1.9
153.12784	2.8
155.08647	0.7
157.10127	6.4
159.11722	2.8
161.13271	0.7
163.11189	0.8
169.10132	0.4
171.06528	0.5
171.11665	3.0
175.11299	0.3
177.12755	2.9
179.14313	1.4
181.12173	0.6
183.11684	0.6
185.13173	1.1
187.11313	0.4
189.12688	0.4
195.11989	0.3
195.13902	2.0
197.13306	0.4
197.73738	0.3
199.14755	0.7
209.13347	0.4
211.14754	2.8
213.16383	15.3
223.80006	0.4
225.16475	0.5
227.17958	0.5
229.15941	0.5
251.18034	2.1
253.19344	0.4
269.19211	0.5
273.84000	0.3
279.21170	1.4
297.22266	0.6
382.59808	0.4
391.29987	0.4
409.31091	1.6
418.47818	0.3
421.94119	0.4
427.32108	1.7
589.37244	0.6
606.96960	0.4
735.43408	0.8
881.48828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91868	0.8
72.08159	4.5
76.27541	0.8
88.58406	0.8
97.07680	3.5
103.05480	3.8
114.10292	27.6
115.08723	9.2
131.04932	33.6
147.40250	0.8
152.15097	0.9
170.09526	0.9
182.91536	0.9
201.13878	14.2
202.12245	19.3
219.14861	1.2
244.14421	12.0
261.17090	24.3
285.12393	3.6
320.50421	0.9
362.19077	1.3
373.16446	0.9
380.19852	7.1
390.18164	6.3
406.17618	70.6
408.19180	8.9
409.17706	3.6
418.17758	3.4
426.20352	13.4
436.18665	3.6
452.18182	82.6
469.47357	1.0
482.19351	2.1
669.34351	3.0
695.32190	1.0
698.42450	0.9
731.27722	1.0
752.75452	1.0
827.03595	1.0
849.42841	9.1
879.44080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06600	0.9
72.07797	0.9
72.08165	12.8
76.30784	0.5
85.82375	0.5
97.07666	4.3
98.06028	0.8
103.05473	5.6
114.10302	45.3
115.08701	8.8
115.75074	0.5
116.85690	0.5
131.04935	47.7
131.12924	12.4
157.11005	0.7
201.13885	18.4
201.15637	0.9
202.12279	24.6
219.14995	1.1
244.14452	22.1
261.17108	40.0
267.04733	0.5
285.12427	2.6
362.18814	3.1
363.17142	1.1
364.20471	1.1
380.19992	2.8
382.21231	0.7
390.17953	1.2
399.13840	0.6
406.17664	45.3
408.19226	10.4
409.17657	3.5
426.20215	13.4
436.18723	0.7
452.18198	86.5
458.28799	0.6
461.75940	0.6
482.19281	2.0
626.33978	0.9
669.34033	3.5
671.25232	0.6
695.32251	2.7
819.02002	0.7
849.42975	24.4
879.44067	100.0
910.42535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89012	0.3
63.97759	0.3
72.07274	0.3
72.08167	4.3
79.05797	0.3
89.03888	0.3
89.10793	3.3
94.04600	0.3
98.06014	0.5
115.08685	0.7
138.41785	0.3
138.74905	0.3
145.02855	10.3
163.03964	0.4
177.05470	100.0
248.12772	7.2
248.15120	0.5
260.70032	0.3
265.15466	47.2
880.39557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42917	2.2
70.06591	2.6
70.40437	2.2
72.08127	3.2
85.82497	2.7
97.07648	2.6
103.05439	2.8
114.10302	23.4
115.08696	10.7
131.04916	31.8
145.42552	2.7
201.13849	14.6
202.12265	20.7
244.14478	11.0
245.50232	2.8
247.30380	2.9
261.17148	26.4
335.70053	2.7
390.18341	4.2
406.17557	63.2
408.18903	5.4
426.20117	12.9
452.18173	86.2
593.93726	2.8
849.42456	4.4
879.44043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.6623
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66606	14.9
85.34682	14.0
85.46033	13.7
86.12294	14.5
89.06040	77.6
110.45251	17.2
123.94921	16.7
177.11227	14.9
231.79694	20.3
313.31375	15.2
353.59717	17.1
407.99734	16.8
876.65826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66334	1.0
70.06599	1.2
81.07059	1.5
85.35269	1.1
92.91736	1.2
93.15987	1.0
95.52249	1.0
124.07644	3.7
131.84195	1.3
164.07051	1.7
306.10434	1.2
346.81052	1.3
362.18665	1.6
380.19864	5.1
404.16135	5.5
405.14682	1.8
406.17648	67.6
448.16339	1.4
449.17218	2.4
452.18561	1.4
477.16760	1.7
528.21271	4.0
546.26208	6.6
552.21899	1.8
570.22711	8.0
572.23938	2.5
580.21155	4.8
589.23608	1.5
590.25250	5.0
596.20728	5.5
600.21271	1.9
602.21832	2.0
616.22980	9.9
626.21411	1.6
644.22485	4.5
646.20874	1.8
706.22778	2.0
736.23950	7.9
873.31891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26323	0.3
64.03201	0.3
82.07674	0.3
89.67583	0.3
127.14031	0.3
144.08087	25.5
145.08862	0.7
152.83730	0.4
158.09671	1.4
161.68071	0.3
170.09645	100.0
171.10423	32.9
187.12314	0.6
201.13863	3.7
202.14653	44.6
297.22928	2.3
301.19119	18.0
301.22455	0.8
829.35620	1.8
873.34949	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
83.67172	0.7
84.57687	0.6
92.17774	0.8
108.02529	0.7
129.18246	0.7
144.08093	29.7
158.09615	1.0
170.09654	100.0
171.10426	19.1
201.13840	5.3
202.14667	13.7
301.19064	4.9
312.21710	0.7
345.01004	0.8
471.25647	0.8
829.37000	1.5
873.36475	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06589	10.7
72.08168	18.3
86.74014	2.6
87.22867	2.6
102.79185	2.9
120.82935	2.6
145.28563	2.5
147.04422	42.4
163.03905	3.9
164.07057	3.5
207.06554	3.9
217.13490	3.9
218.11807	10.9
285.12283	5.1
348.00305	2.6
374.51160	3.1
380.19540	6.0
406.17606	48.8
408.19095	10.4
426.20285	10.5
433.54474	2.6
452.18176	100.0
545.27460	4.4
607.27222	12.2
841.41150	16.6
845.57294	2.7
871.43097	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	871.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25223	1.5
70.06590	15.2
72.08160	23.3
77.02526	1.6
84.08163	6.2
89.10778	3.7
107.88712	1.7
118.83517	2.0
163.03908	41.7
206.54945	1.9
219.72105	1.8
220.09732	9.1
221.08170	2.6
222.11337	2.2
222.61613	2.3
228.53285	1.7
233.12904	8.7
234.11221	3.7
285.12451	2.0
362.18655	9.5
380.19446	13.3
382.21271	2.3
390.18011	8.9
406.17624	66.3
407.07657	2.3
408.19162	10.7
426.20132	4.1
436.18634	10.0
452.18207	98.1
482.19412	7.1
545.27588	23.4
591.28009	19.9
841.41602	13.1
849.26190	2.1
871.42993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16226	0.4
70.06541	0.7
72.08089	15.2
83.84837	0.5
86.07320	0.4
88.06232	0.4
89.10796	8.8
124.07491	0.9
128.08545	0.5
135.04422	0.6
138.09041	0.6
145.02754	1.9
147.04355	0.6
163.03899	31.4
164.04201	1.7
171.93474	0.5
192.07742	0.5
196.60574	0.4
198.81334	0.5
205.68575	0.5
220.09715	0.8
222.11220	0.7
231.44725	0.6
233.12846	10.3
234.11278	6.5
238.89148	0.4
251.13815	2.0
258.13705	0.5
284.11649	0.5
285.12250	6.3
286.12543	0.7
362.18533	7.4
364.20145	2.1
365.17401	0.6
378.18008	0.6
380.19705	10.2
382.21069	1.9
390.18188	9.8
392.19864	0.9
393.17477	0.5
402.18216	0.7
406.17606	68.5
407.18027	6.6
408.19034	18.1
409.19739	0.8
410.19995	0.9
418.17596	6.1
420.18964	0.9
422.20776	0.7
424.22806	0.7
426.20325	5.8
434.17203	2.1
436.18616	4.4
438.20032	1.9
452.18182	99.6
453.18671	6.9
454.18701	4.2
464.18137	0.9
482.19257	3.2
527.26599	0.8
529.28210	5.9
545.27612	16.2
557.27350	0.8
575.28851	0.7
591.28156	19.7
621.29541	1.0
841.40948	10.9
871.42340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	0.6
70.06590	2.6
72.08162	16.6
85.02902	5.0
89.10783	6.8
97.02885	1.0
98.06052	17.7
106.55406	0.6
107.04987	2.7
114.09166	9.5
115.08700	15.6
121.02835	0.8
127.03911	0.9
135.04449	1.2
137.02347	11.3
137.22430	0.7
138.05544	3.2
145.02872	3.9
163.03900	100.0
168.63373	0.7
183.11314	1.4
192.10254	5.5
207.02988	2.7
231.02966	1.0
234.11258	5.0
235.17102	0.6
244.22437	0.7
249.03990	3.2
251.13890	38.9
255.06465	2.5
297.07571	56.8
323.05569	8.9
323.09070	44.0
323.13034	1.4
341.06558	11.7
349.07040	20.4
349.11050	0.8
389.10324	0.9
413.19147	11.9
417.09698	69.8
429.82040	0.7
437.17093	1.1
459.10788	12.3
621.16211	1.6
709.26038	12.4
783.21411	1.4
807.71997	0.9
871.31274	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
66.23907	1.3
70.06599	2.9
72.08161	2.4
84.08118	2.0
90.44111	1.4
92.17783	1.8
119.04881	1.8
146.11594	1.6
147.04410	30.7
163.03931	2.7
285.12344	38.6
354.68387	1.4
378.18146	6.2
380.19693	3.4
391.15421	3.1
406.17648	100.0
408.19244	24.2
424.18781	1.7
426.20193	6.4
436.18805	3.5
447.22183	12.5
452.18158	85.9
479.77042	1.7
488.30518	1.4
704.23584	6.0
708.28503	2.5
734.25623	14.7
841.32428	2.5
871.18738	2.6
871.33917	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06591	0.8
72.08159	20.1
84.38312	0.5
85.12531	0.5
89.03989	0.6
89.10796	8.4
112.54819	0.5
127.18420	0.6
135.04428	0.9
145.02867	1.2
147.04442	1.0
153.45889	0.6
163.02504	1.1
163.03903	35.8
188.42795	0.6
233.12798	6.2
234.11234	9.0
234.13132	0.7
240.80122	0.5
251.13966	2.5
284.11691	0.7
285.12360	14.4
362.18573	0.7
378.18347	1.1
380.19733	2.9
390.18060	8.3
391.16190	0.9
406.17624	93.6
408.19156	24.0
418.17728	7.7
419.14944	1.2
420.19656	0.6
421.16449	0.6
426.20117	4.5
434.17142	1.1
436.18707	12.7
438.20349	0.6
443.13174	0.7
451.17209	0.7
452.18167	100.0
464.18408	1.3
482.19247	7.7
633.85248	0.6
702.31097	2.4
732.32904	1.2
839.39575	9.1
869.40820	75.0
892.65912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46693	6.3
85.06545	49.1
87.59475	6.4
133.29045	5.9
134.02209	6.2
197.21111	6.5
207.82556	6.1
230.68733	6.2
237.15039	6.7
273.63751	6.9
348.45889	6.7
869.45074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.409
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57068	0.3
70.06554	1.2
72.08159	15.4
79.84413	0.4
89.10795	8.1
132.59137	0.3
135.04347	1.3
145.02760	1.3
145.09979	0.3
147.04449	0.4
163.03896	33.2
191.05428	0.3
191.07040	7.7
192.07304	1.8
233.12845	6.4
234.11237	8.5
251.13828	1.6
259.09695	0.3
284.11285	1.1
285.09198	0.6
285.12350	14.5
313.44458	0.4
330.55029	0.3
362.18515	0.5
365.20520	0.4
377.13373	0.3
378.18277	2.3
380.19647	2.3
382.21524	0.6
389.13629	0.6
390.18112	8.1
393.48151	0.3
402.18085	0.4
406.17621	89.1
408.19171	17.6
418.17657	7.1
420.19135	0.5
424.18811	0.4
426.20090	3.0
434.17062	1.5
436.18671	12.5
437.15808	0.7
446.16644	0.4
451.17432	0.7
452.18167	100.0
464.18076	2.1
482.19208	5.4
527.26672	0.4
619.27588	0.6
676.32513	0.4
702.31183	1.9
732.32715	1.2
739.72968	0.4
774.16022	0.4
839.39966	8.6
869.40814	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01493	0.8
65.43614	0.8
70.06599	2.1
70.27129	0.8
72.08170	9.9
85.02908	2.1
89.10780	2.5
101.02627	0.9
101.29329	1.1
129.10248	1.2
133.44804	0.9
163.03897	22.2
164.07095	1.7
167.07047	1.4
191.62041	1.2
193.09013	1.2
234.11366	5.1
234.47957	1.1
251.14301	1.2
258.13669	1.3
259.14493	5.8
364.20401	1.1
380.19711	50.7
382.21191	28.7
392.19763	3.9
406.17612	19.5
408.19302	6.2
410.20798	8.7
411.18024	1.4
416.30069	1.2
418.17831	1.3
426.20236	100.0
427.26428	1.1
427.31967	1.3
436.18671	3.9
444.42188	1.1
445.32809	1.5
452.18103	18.8
456.21347	8.6
676.33478	15.5
697.32147	1.1
706.34674	18.2
732.32397	16.0
839.39758	6.4
869.40875	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96336	3.2
70.06570	3.7
72.08148	13.4
74.15942	3.2
83.86066	3.1
85.78454	3.1
122.09656	9.2
138.09167	7.0
175.57753	3.9
208.24045	4.0
217.90384	4.5
260.07803	7.4
261.08713	21.4
285.08612	4.0
313.08246	16.3
315.09763	24.1
339.12912	4.6
403.09180	39.4
406.17599	18.9
419.08014	3.8
421.09894	4.8
422.42438	4.6
429.10699	7.6
436.15164	16.1
452.18149	21.6
457.09985	4.9
475.10764	5.3
574.01672	4.3
593.91034	4.0
594.18958	5.6
601.53394	3.9
612.19891	16.7
837.38019	34.2
867.39093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06588	1.1
72.08173	1.4
89.23386	1.0
92.83560	1.0
95.44386	1.0
109.23611	1.1
111.17371	1.0
116.01333	0.9
126.99658	0.9
164.07112	4.8
170.09605	1.2
184.21742	1.0
188.10794	1.1
216.12630	1.2
259.10034	1.1
380.19766	2.4
404.16171	1.5
405.16852	1.4
406.17590	18.8
407.18527	1.9
425.19391	1.2
445.14011	13.8
451.17831	1.1
452.17963	1.2
506.17227	1.3
538.19916	1.3
540.21368	5.0
542.23315	3.8
550.19891	1.9
566.19220	45.8
568.20819	23.3
586.21741	5.4
596.20026	1.9
612.19781	19.9
633.00891	1.2
642.21222	1.6
730.30908	2.0
835.69916	1.3
867.39282	100.0
900.46210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66711	5.5
72.08154	21.3
86.09666	6.2
87.47813	5.2
134.49509	6.0
141.34164	5.8
161.02292	10.1
181.04880	5.5
221.89233	5.9
222.00850	5.2
230.67450	5.5
380.19797	10.6
406.17697	100.0
426.20804	6.7
452.18088	71.6
867.39001	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87517	0.3
71.55785	0.2
72.08160	4.3
89.10803	3.6
98.06055	0.5
100.03872	0.2
107.91979	0.3
115.08665	1.5
116.64370	0.3
117.03361	0.4
145.02866	9.1
176.23857	0.3
177.05476	100.0
240.52496	0.3
248.12804	7.2
265.15472	51.7
339.29218	0.3
394.23837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06592	49.5
74.06075	4.1
76.44988	4.0
84.08139	15.5
86.09713	100.0
114.05492	3.3
120.08105	33.3
129.10252	19.0
130.08627	5.7
137.06012	3.2
147.11295	16.2
181.05087	2.9
203.19653	2.7
217.13387	48.3
227.13870	12.0
245.12802	12.9
267.14969	3.4
276.49319	3.5
294.17960	5.3
310.17743	5.8
379.57666	2.9
673.45105	3.2
865.31586	5.1
865.47955	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	865.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39288	0.6
63.68554	0.6
70.06610	0.8
70.64148	0.6
72.08163	4.3
81.73183	0.6
84.08150	0.7
92.17831	0.8
122.06043	1.3
136.07623	2.9
138.09125	0.7
141.07103	0.7
143.96130	0.7
164.07060	11.6
170.27263	0.6
170.61574	0.7
223.94125	0.6
305.59457	0.9
399.13882	1.3
401.11444	1.1
414.12387	0.8
415.13016	3.8
416.13599	2.1
417.14645	1.5
429.10828	0.7
433.19226	7.8
433.69843	1.0
442.11807	0.9
443.12363	1.0
465.14740	2.7
480.19464	1.2
492.19153	1.3
494.20944	0.9
495.19052	1.2
496.18884	0.9
498.19949	0.9
507.15900	4.2
510.20084	0.8
512.22156	3.9
520.18774	7.9
522.20081	6.8
523.18860	2.7
524.17938	1.1
525.16986	5.4
534.20129	0.9
536.18298	3.6
538.19830	13.1
540.21429	8.6
548.18146	2.3
550.20111	1.0
564.17755	11.8
565.20526	1.1
566.19293	12.0
579.19672	0.8
582.18835	1.1
594.18762	3.3
608.28210	1.1
626.29840	2.9
628.19580	2.9
628.30914	0.8
634.26672	0.9
636.28766	0.8
640.19543	1.0
652.27881	3.4
672.30591	3.9
698.28253	0.9
701.25934	2.5
702.31195	1.2
728.29126	1.2
835.36688	7.1
865.37708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18005	14.7
75.27651	14.2
78.07333	15.8
85.05757	16.0
85.06544	100.0
91.28260	14.1
102.27596	13.9
127.03908	28.0
156.80481	14.1
172.15759	14.4
193.17989	14.0
220.12982	16.4
313.16479	68.7
337.58585	18.6
415.23376	21.6
558.12592	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05650	0.1
84.05634	49.8
107.82858	0.2
133.62526	0.1
167.07060	0.6
181.35797	0.2
192.19743	0.2
208.14450	5.1
226.15500	100.0
312.09003	0.2
343.46255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33442	0.4
62.71445	0.4
69.03434	1.6
81.03412	1.7
85.02920	4.6
87.00825	1.6
87.43922	0.4
91.00366	0.4
97.02891	2.0
99.04453	0.7
105.01880	1.7
105.07023	0.9
107.04964	1.7
109.02876	2.7
116.86887	0.4
127.03928	3.6
128.63510	0.4
133.06511	1.8
145.04932	0.7
145.06479	0.6
159.02831	0.6
161.05951	3.1
163.07579	1.5
167.07039	100.0
168.07352	0.5
173.05977	0.9
175.07536	0.9
181.08565	2.6
182.09303	0.4
193.08617	21.7
195.10233	0.6
205.08646	1.0
207.10086	0.6
207.57254	0.4
209.08078	1.8
211.09660	27.4
221.08096	0.5
227.09293	0.5
235.09703	2.0
253.10629	1.8
301.10724	0.9
319.11819	2.0
337.12967	0.6
405.11893	0.8
423.13071	3.2
437.18097	0.7
441.13965	3.0
459.14816	0.7
545.19995	0.7
836.32538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5284
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24268	0.3
77.85287	0.4
81.32537	0.3
119.71397	0.3
125.19648	0.3
144.08089	22.4
145.08859	0.7
149.80261	0.3
158.09647	0.6
170.09642	100.0
171.10422	39.7
171.12611	0.5
201.13876	4.3
202.14651	51.6
335.77188	0.4
414.27527	46.6
448.25934	42.3
505.31622	0.4
861.52930	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	862.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77786	0.1
61.02925	0.2
69.03436	1.5
71.04991	0.2
73.02917	0.4
80.07888	0.2
81.03416	1.7
85.02902	4.2
87.00822	1.6
94.62760	0.1
95.04966	0.2
97.02888	2.7
99.04440	0.7
99.84192	0.2
105.01850	1.1
105.07048	1.4
107.04983	1.2
109.02892	2.0
111.04437	0.3
115.05470	0.3
117.07028	0.2
121.06444	0.3
123.04408	0.3
127.03919	2.9
129.01897	0.2
133.06499	1.8
135.08038	0.3
138.13811	0.2
143.05005	0.2
145.04935	0.4
145.06439	0.7
147.08051	0.4
149.05963	0.7
151.07466	0.2
159.02881	0.9
161.05989	3.1
163.07520	1.4
167.07031	100.0
173.05981	1.1
175.07524	0.7
178.06204	0.2
179.07069	0.4
180.05663	0.2
181.07043	0.2
181.08525	2.0
182.09416	0.2
183.06522	0.3
191.07100	0.3
193.08609	19.7
195.10252	0.7
199.07504	0.3
203.06992	0.2
205.08525	1.3
207.06541	1.2
207.10126	1.1
209.08052	0.6
211.09644	24.1
217.08656	0.3
221.08014	0.6
223.09618	0.4
225.07588	1.0
231.04962	0.3
233.08020	0.3
235.09654	1.3
241.08649	0.2
251.09195	0.3
253.10663	1.7
259.09680	0.6
271.09656	0.2
277.10849	0.3
291.12109	0.2
295.11734	0.3
301.10587	1.8
319.11710	1.9
337.12857	1.3
357.95541	0.2
405.11859	0.9
417.15503	0.7
423.12805	2.7
435.16766	0.6
441.13986	2.2
459.15808	0.4
525.17419	0.2
543.18677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	1.5
63.95294	1.6
69.03438	22.6
71.04995	2.0
73.02901	1.9
81.03428	21.7
83.01341	1.7
85.02908	79.9
85.91419	1.4
87.00826	15.0
97.02903	28.4
99.04466	17.1
105.01883	22.2
109.02882	35.2
125.00879	1.6
127.03918	68.4
129.01884	2.5
131.07295	12.8
142.83913	1.7
144.08098	22.2
145.04997	14.8
145.08905	9.6
151.03934	2.3
157.08875	6.7
159.02936	12.3
170.09654	18.1
171.10434	3.7
175.60365	1.9
183.10550	7.8
184.11252	2.4
188.13039	15.6
195.10400	1.7
197.08372	3.7
210.12872	7.2
212.10678	14.5
226.12193	1.9
226.15570	2.4
230.11748	39.7
231.04987	12.5
238.12392	2.8
244.13419	9.1
249.06100	6.1
256.13330	100.0
287.17581	47.3
297.22980	5.9
299.80807	1.6
335.12329	1.6
859.33545	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14450	0.6
61.02934	1.1
64.57135	0.5
69.03436	11.4
71.04997	0.8
73.02934	1.2
81.03425	10.0
83.04993	0.9
85.02911	38.1
86.75745	0.6
87.00831	9.6
91.03919	0.8
93.59346	0.6
97.02904	13.7
99.04462	8.2
105.01881	12.2
109.02882	14.6
115.03941	0.8
127.03921	28.0
129.01859	3.7
131.07326	3.6
132.08066	0.7
144.08113	3.8
145.04990	6.0
145.08879	4.9
157.08856	11.0
158.09674	0.9
159.02866	9.1
173.08398	0.8
182.09721	2.5
183.10400	3.9
184.11201	1.3
195.10408	1.9
196.11292	0.7
197.08426	2.2
197.12126	0.7
210.12769	17.4
211.13652	0.9
212.10703	15.7
212.14380	3.0
213.04042	0.9
226.12314	3.4
230.11758	27.7
230.13947	1.1
231.05061	4.2
238.12314	3.2
244.13264	9.5
249.06056	0.9
256.13315	100.0
272.12881	1.2
287.17542	23.0
302.79367	0.7
329.18274	0.7
375.09290	1.0
460.16080	0.7
478.16953	0.7
534.68652	0.6
640.22363	0.6
857.78326	0.7
859.33435	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	1.6
72.08162	12.2
89.10823	4.5
94.48170	1.4
94.70673	1.3
95.69218	1.5
102.57284	1.4
103.55830	1.3
116.64292	1.4
119.05012	1.9
147.04408	40.7
147.05476	1.9
154.35031	1.4
217.13437	8.4
218.11780	10.0
221.08147	9.4
222.08327	1.3
235.14528	2.2
285.12396	2.4
300.68024	1.3
362.18799	6.5
380.19797	7.9
390.18201	7.0
406.17612	58.4
407.18182	6.3
408.19064	14.3
418.17789	5.4
426.20486	2.6
436.18530	1.8
452.18161	85.6
482.19217	2.0
529.27856	2.9
545.27606	15.6
590.74182	1.8
591.27930	14.9
622.87311	1.5
784.81665	1.6
825.41809	11.8
855.42896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.584
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61309	23.0
63.72545	18.6
84.47177	21.4
89.06025	53.0
89.36224	25.0
97.24920	24.0
103.94224	21.4
121.06497	27.8
545.62445	27.7
854.57855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26934	1.1
62.36606	1.2
73.82337	1.2
84.08189	1.3
90.77173	1.5
94.81705	1.3
141.05310	1.8
151.90936	1.4
161.06018	2.6
163.03862	1.5
167.07106	2.2
169.41209	1.4
185.04272	5.5
189.05281	7.3
193.08687	1.7
195.27791	1.5
215.06821	5.3
216.07675	5.3
217.08321	12.5
219.06564	2.6
223.06104	3.0
227.05351	6.1
233.07867	2.9
234.08635	42.6
235.09413	3.1
247.09427	1.3
271.04370	6.8
337.09393	1.5
365.12045	1.9
379.13602	70.9
379.18274	2.4
390.22476	1.4
395.13229	2.8
410.54022	1.3
415.08768	1.7
437.14474	1.6
445.18347	3.0
526.34442	1.6
607.23578	5.4
649.24744	6.5
693.23901	11.8
714.82355	1.7
811.30017	2.7
855.29004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.79343	0.5
72.08092	9.5
81.50519	0.4
84.08070	0.5
89.10809	6.4
91.05441	0.6
94.66291	0.5
96.73993	0.5
115.08621	0.9
119.04887	2.5
132.73634	0.4
133.42755	0.5
147.04414	56.2
163.03877	0.6
174.56075	0.5
217.13356	7.0
218.11792	10.5
235.14374	3.1
284.11615	0.9
285.12326	14.6
343.70749	0.5
362.18756	0.9
378.18027	3.3
380.19543	2.3
382.21344	0.6
389.13678	0.7
390.18201	8.3
392.19577	0.6
402.18091	0.8
406.17618	100.0
408.19174	21.5
408.24542	0.9
418.17764	6.0
420.19354	0.8
424.18671	0.9
426.20428	4.9
434.17117	1.0
436.18698	13.1
451.17728	0.7
452.18188	97.6
464.18097	1.0
482.19431	5.7
686.31885	2.2
716.32910	1.9
823.40375	14.2
853.41327	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45894	1.2
66.78574	1.4
66.95292	1.1
70.06585	1.9
72.08161	17.5
89.10809	8.2
90.35673	1.4
119.04937	2.8
147.04419	52.8
163.03949	1.8
167.07108	1.6
218.11823	8.8
259.14569	6.3
285.12460	9.4
364.20203	1.8
372.55930	1.4
378.19037	1.5
380.19690	52.1
382.21268	27.2
406.17593	48.9
408.18979	12.8
410.20941	8.9
426.20255	96.5
436.18637	2.8
438.20657	2.1
452.18146	71.0
456.21667	8.3
482.19293	6.7
660.33899	14.8
690.34973	17.0
716.33099	9.0
823.40424	19.9
853.41388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08158	9.3
89.10799	5.2
101.65701	0.5
115.08616	0.8
119.04844	3.0
147.04419	53.0
178.84854	0.5
217.13368	8.6
218.09930	0.6
218.11795	10.9
235.14342	3.1
284.11481	0.8
285.12341	15.1
362.18460	0.9
378.17957	2.9
380.19611	3.1
390.18173	8.3
391.15900	0.6
402.18164	0.7
406.17639	100.0
408.19186	22.0
418.17618	7.7
419.14801	0.7
420.19159	0.6
424.18341	0.9
426.20102	3.4
434.17062	1.9
436.18655	10.8
437.15918	0.9
452.18195	99.6
464.18222	1.1
482.19418	4.7
686.31470	1.9
716.32733	1.1
815.23486	0.6
823.40454	6.9
853.41351	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
88.68845	2.7
109.87243	2.4
113.95889	2.6
125.85566	2.9
136.83018	2.5
160.07597	34.4
170.09671	15.8
171.10548	3.4
186.09143	100.0
187.09909	19.6
217.13283	3.2
218.14110	5.5
851.40106	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	851.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76793	1.1
64.27265	1.1
67.33804	1.0
67.41368	1.4
68.17406	1.2
70.06596	1.4
81.60069	1.1
92.17833	3.2
103.30067	1.4
112.11276	1.4
142.06203	1.5
160.07585	35.8
178.44534	1.2
186.07466	3.2
186.09152	100.0
187.09953	23.8
217.13289	1.7
218.14188	14.7
258.70947	1.3
317.18494	2.2
494.76434	1.5
577.80579	1.3
851.39355	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	850.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02951	0.1
65.99695	0.1
68.99795	0.2
69.03431	1.5
69.19588	0.1
70.05222	0.1
72.87702	0.1
73.02927	0.2
78.04720	0.1
79.05513	0.1
81.03426	1.5
83.05016	0.1
85.02413	0.2
85.02910	4.5
87.00836	1.5
92.17862	0.1
95.04954	0.4
97.02898	2.1
99.04460	0.7
100.79764	0.1
103.05430	0.1
105.01875	1.1
105.07042	0.9
107.04958	1.5
109.02888	2.4
115.05436	0.1
117.05622	0.1
117.07040	0.1
121.06520	0.2
121.18568	0.1
122.03544	0.1
123.04417	0.6
124.05204	0.2
127.03913	2.8
129.01826	0.2
131.04865	0.1
133.06491	1.5
135.08061	0.6
137.06027	0.2
139.20905	0.1
145.04985	0.6
145.06453	0.8
147.02859	0.2
147.08035	0.4
149.05956	0.6
151.07509	0.2
152.04720	0.1
155.07071	0.2
159.02879	1.0
161.05960	3.2
163.07498	2.1
167.07031	100.0
173.05992	1.3
175.07504	0.9
177.05437	0.1
178.06233	0.1
179.07005	0.5
181.06511	0.1
181.06810	0.1
181.08614	2.5
187.07535	0.4
190.06244	0.4
191.06924	0.2
193.08603	20.7
195.08313	0.1
195.10135	1.7
199.07552	0.2
203.06993	0.1
203.38811	0.1
205.08615	1.2
207.10101	1.1
209.08089	0.4
211.09647	21.3
213.09406	0.2
213.11203	4.7
215.06934	0.1
217.08643	0.2
221.08040	0.4
223.07635	0.1
223.09686	0.6
231.04939	0.4
231.10074	0.2
233.07996	0.6
235.09647	1.3
237.11121	0.1
239.09189	0.2
241.08554	0.4
251.09091	0.2
253.10625	1.3
254.55209	0.1
255.12263	0.1
257.07843	0.1
259.09546	0.4
263.09186	0.1
269.08160	0.1
273.11069	0.2
277.10727	0.6
279.12268	0.1
295.11676	0.6
297.09711	0.1
301.10693	1.2
303.12195	0.4
305.61389	0.1
319.11765	2.4
321.13367	1.0
337.12823	1.1
405.11850	0.7
405.19077	0.2
423.12683	2.8
423.19922	1.1
425.14124	0.2
441.08484	0.1
441.13913	2.5
459.14954	0.9
531.21869	0.7
565.05518	0.1
653.23499	0.1
850.32422	0.6
882.45111	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	849.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
104.78539	0.6
108.50022	0.6
112.81494	0.6
119.02854	0.5
122.61047	0.6
144.08093	32.3
144.09189	1.1
145.08864	0.8
158.09641	2.6
170.09642	100.0
171.10413	19.0
201.13858	6.1
202.14635	7.8
247.64052	0.6
258.90759	0.6
283.62192	0.6
400.57446	0.7
536.72931	0.6
748.48175	0.7
838.80902	0.8
849.38098	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	849.382
Annotation	Unknow
Peak:m/z	Relative Intensity
84.19076	1.0
88.43331	1.1
114.09159	7.2
144.08095	33.4
170.09647	100.0
171.10422	17.7
201.13948	6.2
202.14714	5.4
209.16541	1.6
216.64627	1.5
228.15965	2.0
302.90018	1.3
392.67120	1.3
435.34024	1.3
682.88257	1.5
849.13501	2.8
849.37946	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33650	0.1
109.88148	0.2
126.60771	0.2
135.03012	0.2
152.05675	100.0
152.26863	0.2
153.04108	0.9
174.51208	0.2
176.63319	0.2
188.78983	0.2
241.42598	0.2
284.09885	16.8
326.95950	0.2
552.96326	0.2
622.68701	0.2
760.99829	0.2
770.04083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	0.3
69.03439	2.7
70.06618	0.3
72.08175	0.4
73.02931	0.3
75.69891	0.2
79.05508	0.4
80.47313	0.2
81.03437	2.8
85.02915	7.9
87.00822	3.0
95.04951	0.3
97.02898	3.2
99.04459	1.5
103.05508	0.9
105.01875	2.0
105.07040	4.2
107.04977	1.6
109.02887	4.3
115.05444	0.4
119.71960	0.2
123.04401	0.2
127.03912	4.9
129.01877	0.3
129.05371	0.2
133.06497	7.9
135.08051	0.3
136.60596	0.2
143.06030	0.3
145.04968	1.1
145.06534	0.8
147.08040	0.9
151.07475	0.2
152.27586	0.3
155.07138	0.2
159.02939	1.5
161.05980	18.6
162.07738	0.2
163.04013	0.3
163.07564	2.4
167.07039	100.0
173.05981	2.1
175.07481	1.5
179.06981	0.3
181.08609	2.5
187.07503	0.4
191.06902	0.3
192.07854	0.4
193.08612	46.0
195.10159	1.2
203.07010	0.4
205.08589	2.0
207.06601	0.2
207.10150	1.2
209.08023	0.4
211.09663	22.1
213.03931	0.3
213.11336	0.3
217.08574	0.3
221.08099	0.3
223.09637	0.8
231.04845	0.3
231.10184	0.4
233.08139	0.5
235.09570	1.6
241.08688	0.3
247.09671	0.4
251.09192	0.9
253.10719	2.2
259.09680	0.4
273.11325	0.3
277.10867	0.3
286.08508	0.2
295.11734	1.1
301.10565	1.5
319.11853	2.5
337.12918	1.8
399.82297	0.3
403.17270	1.0
405.11761	1.5
410.06061	0.2
423.12854	4.1
441.14029	3.7
459.14874	1.0
460.96082	0.2
651.22791	0.8
651.41431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	2.4
67.05527	3.3
69.03429	27.0
69.07087	2.8
71.04993	3.7
79.05476	2.8
81.03429	15.8
81.07057	5.0
83.04983	5.3
85.02419	3.9
85.02908	100.0
87.00838	37.1
93.07040	5.8
95.04977	3.2
95.08620	9.3
97.02890	45.6
99.04463	14.9
105.01879	76.9
105.07018	11.8
107.08613	5.7
109.02890	32.6
109.06491	2.6
109.10143	15.4
119.08589	23.8
121.10168	8.9
123.08096	2.9
127.03922	75.0
129.01755	4.2
131.08595	3.2
133.10132	28.9
135.11687	3.1
137.09612	4.9
140.86316	2.5
142.64320	2.1
143.08592	3.0
145.04967	25.8
145.10138	4.4
147.08076	2.6
147.11699	3.3
159.02887	10.0
159.11711	5.1
161.09636	2.9
161.13188	18.5
163.11240	3.7
165.09082	9.2
170.10942	3.6
173.13197	3.2
175.14821	32.4
185.13251	15.2
189.03806	2.5
203.14326	56.3
205.15976	3.1
213.03983	5.5
221.15305	20.4
231.04982	35.5
249.05945	24.1
265.05548	3.7
326.37259	2.3
342.49805	2.8
375.08981	4.7
393.10281	45.7
411.11267	66.4
413.14349	4.9
469.20840	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	845.3548
Annotation	zinc tetramesitylporphyrin
Peak:m/z	Relative Intensity
64.15547	1.4
69.03430	11.9
71.04993	1.7
73.02912	2.0
81.03424	8.7
85.02908	36.0
87.00822	2.6
89.39853	1.4
92.18365	2.0
92.30708	1.4
93.07063	2.0
97.02875	12.5
99.04485	2.8
105.01861	5.9
109.02889	14.1
114.83295	1.4
127.03926	16.0
130.06389	1.7
130.11577	1.6
131.07297	1.5
132.08165	1.6
144.08099	39.0
145.04997	1.7
150.58041	1.8
158.09659	19.9
159.02945	1.7
167.07300	2.1
168.08096	3.4
169.08911	8.2
170.09665	6.5
172.11263	2.0
181.08795	2.1
182.09642	23.3
183.10454	14.5
184.11263	6.9
193.06551	1.4
195.10399	6.3
196.11237	17.1
197.12073	2.9
198.12778	83.4
200.10674	16.5
209.12077	3.6
210.12631	1.7
212.14369	23.7
224.14337	56.6
242.15384	39.9
242.17677	1.9
248.64894	1.5
255.18564	2.6
266.15570	7.9
334.21201	1.6
621.98981	1.8
845.35547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	3.0
61.85831	0.6
62.58607	0.5
68.99824	0.9
69.03437	15.7
71.04993	2.9
73.02908	2.6
78.54356	0.6
81.03429	12.5
85.02913	43.9
87.00837	10.2
92.85862	0.6
96.68266	0.6
97.02894	14.5
97.03471	1.1
99.04461	7.9
105.01883	11.8
109.02883	19.2
109.03608	0.7
115.03893	0.8
116.46497	0.5
122.59330	0.6
127.03919	30.5
129.01865	4.0
131.07288	1.0
144.08058	1.0
145.02888	2.7
145.04973	7.7
145.08867	5.4
147.02910	2.5
157.08890	9.1
159.02855	7.4
170.09688	1.4
177.05478	20.7
177.06952	1.1
182.09698	3.5
183.10492	6.9
195.10481	1.2
196.11273	1.2
210.12805	12.1
211.13527	0.7
212.10771	3.3
212.14441	2.5
213.03992	1.0
222.17725	0.6
226.12338	1.0
230.11772	6.9
231.05029	4.6
238.12376	1.3
242.11853	2.9
244.13350	5.3
248.12933	0.8
249.06055	2.2
256.13315	100.0
265.15439	10.6
273.16000	22.5
298.14474	1.1
393.10086	1.0
405.25299	0.7
634.23328	0.6
683.27362	2.5
773.91913	0.6
845.15863	1.4
845.31866	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	37.4
59.42028	18.0
63.98192	16.8
83.58675	17.6
103.07605	36.5
239.09425	25.9
271.52658	20.9
840.49976	100.0
853.23914	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	845.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	3.0
61.85831	0.6
62.58607	0.5
68.99824	0.9
69.03437	15.7
71.04993	2.9
73.02908	2.6
78.54356	0.6
81.03429	12.5
85.02913	43.9
87.00837	10.2
92.85862	0.6
96.68266	0.6
97.02894	14.5
97.03471	1.1
99.04461	7.9
105.01883	11.8
109.02883	19.2
109.03608	0.7
115.03893	0.8
116.46497	0.5
122.59330	0.6
127.03919	30.5
129.01865	4.0
131.07288	1.0
144.08058	1.0
145.02888	2.7
145.04973	7.7
145.08867	5.4
147.02910	2.5
157.08890	9.1
159.02855	7.4
170.09688	1.4
177.05478	20.7
177.06952	1.1
182.09698	3.5
183.10492	6.9
195.10481	1.2
196.11273	1.2
210.12805	12.1
211.13527	0.7
212.10771	3.3
212.14441	2.5
213.03992	1.0
222.17725	0.6
226.12338	1.0
230.11772	6.9
231.05029	4.6
238.12376	1.3
242.11853	2.9
244.13350	5.3
248.12933	0.8
249.06055	2.2
256.13315	100.0
265.15439	10.6
273.16000	22.5
298.14474	1.1
393.10086	1.0
405.25299	0.7
634.23328	0.6
683.27362	2.5
773.91913	0.6
845.15863	1.4
845.31866	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81305	0.7
60.02697	0.6
60.79010	0.8
61.02942	5.7
69.03448	9.0
70.06609	1.1
71.04985	1.1
73.02922	1.9
74.49060	0.7
81.03427	4.5
81.07058	1.2
81.48007	0.8
85.02917	100.0
87.04485	1.8
91.03973	5.6
95.08638	2.6
97.02905	24.4
99.04454	6.7
103.03947	0.8
107.08588	1.0
109.02895	7.8
109.10162	1.1
120.45277	0.8
121.10152	1.7
127.03926	28.5
129.11139	0.8
135.11673	1.3
136.68892	0.7
145.04973	38.4
147.11653	1.3
163.06029	13.3
193.12424	0.9
214.38718	0.7
255.21080	3.1
273.22244	1.0
289.09296	4.7
291.23105	0.9
301.21597	3.5
319.22723	1.6
325.11316	57.8
337.23727	8.0
466.22903	0.9
623.62646	0.8
631.69513	0.8
755.32336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.1
69.03436	9.3
73.02922	4.4
81.03417	1.8
81.07079	2.0
85.02908	100.0
87.00850	1.3
87.04465	1.7
91.03948	6.3
91.97388	1.0
93.07024	1.4
95.08611	4.4
97.02884	23.7
99.04445	5.0
104.35467	0.9
105.01870	1.5
107.08595	1.3
109.02887	9.7
109.10146	4.6
115.03925	1.2
121.10123	6.6
123.11734	0.9
127.03915	30.4
131.02597	0.9
133.10104	2.1
135.11702	1.3
139.11179	5.4
145.04962	37.5
147.11705	4.5
149.13220	2.1
151.11197	1.0
159.11739	1.1
163.06007	13.2
173.13318	1.3
179.10655	1.4
199.14896	1.1
213.16463	1.2
215.18047	1.1
227.17941	1.0
233.15384	1.2
243.20972	1.0
255.21144	6.4
273.22092	8.5
289.09164	4.0
289.21585	1.5
291.23196	4.5
301.21664	4.8
319.22751	4.4
325.07449	2.1
325.11258	46.0
325.15039	1.8
337.23694	33.9
337.27750	1.5
444.64069	1.2
499.28961	5.4
640.67865	1.1
705.90479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82981	0.4
61.02940	5.5
69.03437	8.7
69.07089	0.5
71.04990	0.9
73.02921	3.5
79.05501	0.5
81.03442	3.9
81.07061	2.9
85.02914	100.0
87.04475	2.8
91.03950	8.5
92.17809	0.9
93.07061	0.9
95.08612	3.1
97.02902	24.1
99.04460	5.2
102.31245	0.4
103.03960	0.4
105.07043	1.1
107.08616	2.8
109.02891	9.7
109.10199	4.9
111.08085	0.6
115.03960	0.7
119.08596	1.1
121.10159	6.1
123.11698	0.7
125.09646	0.5
127.03922	32.8
131.08530	0.7
133.10155	2.8
135.11710	3.8
139.11201	2.4
145.04973	44.3
145.10155	2.1
147.11713	5.7
149.13303	2.1
151.11220	0.7
159.11726	2.8
161.13295	2.9
163.06001	14.4
163.14816	0.6
173.13252	1.7
179.10632	0.7
181.12178	0.8
185.13330	0.6
193.12271	3.4
197.86885	0.5
199.14896	2.3
213.16495	1.1
224.23099	0.5
227.17976	1.9
229.19580	0.5
243.21130	0.6
255.21060	13.1
271.08228	1.0
273.22150	5.4
283.20853	0.6
289.09140	3.9
289.21759	0.5
289.45422	0.5
291.23328	1.9
301.21637	20.1
301.24893	0.8
319.22739	7.7
325.11307	63.1
334.41394	0.5
337.23752	21.4
361.28854	0.5
422.31360	0.4
463.26917	0.6
481.28125	0.6
487.17276	2.0
487.46826	0.5
499.29019	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	840.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39098	2.5
61.02937	4.0
69.03437	4.6
70.06596	3.2
81.07062	10.8
85.02412	4.9
85.02909	100.0
85.06561	26.8
85.56638	2.7
89.07748	2.7
91.03953	5.3
92.18455	5.5
93.07033	3.7
93.11787	2.6
95.08631	4.8
97.02899	25.3
107.08581	4.2
109.02895	6.2
119.08559	5.7
121.10109	3.9
127.03912	33.1
135.11688	3.4
145.04971	48.0
145.10143	14.0
146.62730	3.1
147.11726	12.4
149.13237	3.0
159.11703	6.3
161.13245	3.4
163.06021	6.0
164.13771	2.6
173.13304	4.5
175.14775	4.0
187.14856	12.4
199.14841	4.7
213.16403	5.1
219.13754	3.0
227.18008	3.9
227.57498	3.3
229.19576	12.4
255.21150	16.9
273.22168	43.1
283.20700	5.0
291.23300	3.0
301.21609	69.9
319.22565	27.1
325.11288	54.8
337.23788	48.3
499.28897	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	840.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
64.61816	2.4
70.06602	67.4
72.08159	29.9
75.27534	2.5
79.27570	2.5
84.08162	15.9
100.07642	23.1
110.09700	14.1
112.07635	6.5
112.11243	17.8
136.06213	4.0
155.11804	3.5
163.03955	15.7
165.05403	4.9
177.05510	5.7
220.09740	13.6
236.12836	4.6
261.04016	15.9
320.05490	3.9
334.07153	12.0
338.06497	5.1
362.10611	3.8
390.09763	40.7
413.06631	4.0
432.49319	2.7
433.55319	2.9
454.09317	3.4
642.24799	27.6
774.49060	2.8
822.30573	14.6
840.31854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
84.05633	47.6
85.02912	0.6
89.63257	0.3
127.03899	0.3
137.07668	0.3
145.05009	0.3
170.30305	0.3
208.14444	4.4
226.15498	100.0
264.36359	0.2
382.76633	0.3
611.42200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14317	1.0
76.03886	1.1
77.97241	1.1
83.56659	1.1
88.15646	1.1
98.92495	1.2
108.26537	1.0
113.54327	1.1
119.79984	1.4
144.08098	30.8
145.08865	1.3
170.09647	100.0
171.10388	16.7
201.13916	4.4
202.14610	6.7
272.23602	1.1
484.74350	1.3
604.77777	1.2
835.40063	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	836.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.8
69.03431	2.6
69.08262	0.6
70.06580	1.1
70.22484	0.5
72.08147	0.5
81.03403	4.2
85.02903	13.8
87.00825	3.4
97.02912	4.5
99.04401	0.9
100.89352	0.5
105.01898	4.6
109.02873	4.6
110.71620	0.6
123.04372	0.6
127.03912	7.4
159.02902	1.0
161.06023	2.7
163.07523	0.8
167.07031	100.0
172.25400	0.7
181.04932	5.8
181.08582	0.8
193.08585	13.1
211.09651	26.2
213.03792	1.0
218.82852	0.7
231.04892	1.0
235.09633	0.6
253.10600	0.6
319.11853	3.2
337.12827	1.2
423.12933	2.4
591.03839	0.6
597.51001	0.6
610.00720	0.7
836.38806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.5
63.41014	0.2
82.34988	0.3
84.83904	0.2
127.21431	0.3
135.93907	0.3
144.08089	31.1
145.08823	1.2
158.09647	2.2
170.09642	100.0
171.10414	18.7
187.12288	0.6
201.13869	5.1
202.14648	7.7
485.73227	0.4
488.57056	0.3
592.47144	0.3
822.59589	0.3
827.58722	0.4
837.41595	29.9
839.13147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	1.2
85.02908	0.5
86.28172	0.3
89.03867	0.4
97.02873	0.9
99.04436	0.6
109.02891	11.5
109.68932	0.3
117.03349	2.2
127.03928	8.5
145.02858	28.9
149.05905	0.6
155.06897	0.4
159.27133	0.4
169.04872	0.5
177.05475	100.0
179.08411	0.4
250.16176	0.3
257.81924	0.4
303.08676	11.4
303.11993	0.5
368.21738	0.4
515.15521	33.2
782.74915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13461	1.1
60.05640	4.6
72.08165	23.4
79.07306	1.0
80.05025	1.9
81.03442	1.5
84.04503	15.0
92.17890	1.8
96.04502	9.1
98.06046	12.5
102.05550	9.0
108.04475	22.6
109.02900	5.1
114.10303	20.9
116.07096	5.4
124.03979	1.1
126.05521	100.0
131.12910	12.8
138.05510	95.8
144.06590	9.5
150.05502	3.8
168.06561	49.5
168.07980	1.8
181.00244	1.0
182.12939	6.0
183.11348	7.1
186.07622	14.2
197.14069	1.6
199.10921	1.3
200.13988	2.2
208.10878	5.6
210.07718	1.3
225.13492	7.7
228.08707	5.0
246.09702	7.5
258.09897	2.0
301.11188	1.2
301.13986	8.6
356.77710	1.0
754.77155	1.5
833.38922	92.8
866.63214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.6
62.81914	0.2
70.06572	0.5
72.08148	0.6
81.41093	0.3
84.08150	0.3
86.09696	0.4
92.17851	0.4
92.72407	0.3
93.92078	0.2
120.08050	0.5
144.08087	30.3
145.08859	0.5
158.09612	1.6
167.06990	0.3
170.09641	100.0
171.10417	18.8
172.11221	0.4
175.07518	0.6
187.12355	0.4
201.13892	4.1
202.14655	10.9
301.19177	1.5
338.11307	0.3
510.97379	0.3
787.89288	0.3
835.40125	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	832.6358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57648	13.5
59.98942	13.3
67.56371	13.1
71.08633	15.9
77.33020	14.1
78.91750	13.7
85.26010	13.9
89.06023	100.0
133.08665	21.2
210.06793	15.9
260.55493	16.4
384.13980	16.4
537.83624	17.4
546.87170	15.7
832.62714	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71963	1.3
69.84890	1.4
70.06584	7.6
72.08162	31.5
75.51636	1.2
98.06060	85.4
115.08693	87.0
129.82253	1.5
137.06013	2.8
144.08122	2.5
145.29396	1.2
152.07077	8.2
167.07050	19.1
195.06567	2.2
196.09837	2.1
206.11778	17.1
223.14459	1.5
231.62064	1.3
236.12761	2.9
266.13864	6.9
269.08124	1.8
271.09875	1.8
301.10709	40.2
329.10074	4.9
417.20209	100.0
477.81479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04531	0.8
60.05650	1.2
62.71627	0.6
72.08161	23.3
81.03452	1.2
81.87708	0.6
82.06593	4.2
84.04503	7.4
84.08149	1.3
89.10812	1.1
96.04498	3.1
98.06068	4.8
99.09213	0.8
101.07153	1.3
102.05536	1.5
109.02902	0.8
114.10294	14.7
115.08708	1.3
116.07092	8.3
126.05511	14.5
127.03888	1.0
128.07085	27.7
131.12959	5.7
137.25446	0.6
138.05508	67.7
141.11404	2.8
144.06572	19.7
149.51866	0.8
154.06155	2.5
163.03908	13.2
167.11841	3.2
168.06558	26.7
173.09225	14.1
180.11412	2.6
182.12842	7.4
183.11253	10.9
186.07617	26.8
191.10274	1.0
193.09747	2.8
197.13969	5.3
199.10825	10.1
199.15691	1.1
200.13876	5.1
208.10829	11.0
211.10843	3.2
224.15083	1.3
225.13454	15.8
226.11928	2.8
230.10411	1.4
239.10272	42.9
242.16212	1.3
243.14662	0.7
245.67561	0.6
251.13797	5.7
257.11377	3.8
258.09854	4.8
262.13968	5.5
278.15988	0.8
282.14594	3.0
283.12839	0.8
284.12457	3.6
287.00916	0.7
296.17255	1.2
301.13937	21.6
307.14206	0.7
310.14029	1.1
328.15057	9.0
329.13504	3.1
334.18658	0.8
343.19595	1.0
354.21365	1.0
360.86926	0.8
368.19534	0.8
380.19342	0.8
413.19116	1.4
425.76569	0.7
463.95764	0.7
556.30084	0.8
588.30048	1.5
760.37543	0.9
831.42053	100.0
837.96808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.7
70.06567	0.4
77.18057	0.4
84.37702	0.4
88.66005	0.4
92.17871	0.7
99.32151	0.3
100.72528	0.4
107.54123	0.4
144.08086	29.9
145.08876	0.6
158.09641	2.9
159.73477	0.4
170.09639	100.0
171.10410	18.7
187.12363	0.6
201.13884	6.6
202.14639	10.0
299.77237	0.4
367.64297	0.4
462.65533	0.5
829.36475	32.6
829.52063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69261	1.2
60.05657	2.9
63.04100	1.2
69.61665	1.1
70.06599	2.9
72.08173	10.0
93.09928	1.3
97.07697	1.8
108.20448	1.1
110.06050	9.1
114.10311	14.9
122.06031	1.5
124.07432	1.3
128.32439	1.2
131.12941	5.1
136.07603	5.9
138.09167	2.2
140.07103	4.8
150.05556	1.8
154.08673	5.0
157.10909	2.5
159.07487	1.1
163.03938	2.6
164.07092	6.0
170.09708	5.5
177.05533	2.0
180.06636	1.6
182.08070	9.8
202.96596	1.2
220.09825	1.5
246.88881	1.2
295.17593	1.5
311.21536	1.2
320.14130	1.8
333.10699	1.2
354.14801	4.8
366.14798	2.1
406.17615	8.5
408.18900	1.5
438.87460	1.3
440.15897	8.7
452.18390	6.6
458.17068	16.9
466.13885	2.7
482.17108	30.7
484.14935	40.5
499.17508	7.2
500.18137	43.6
502.20035	2.3
526.16101	33.8
528.17621	2.2
603.22778	1.6
676.25500	4.3
829.38800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.5
62.07909	2.4
63.89266	2.8
66.36662	3.0
69.03436	21.0
73.02910	4.5
81.03414	17.4
85.02909	100.0
87.00842	36.4
87.53252	2.9
92.18501	3.7
97.02892	35.7
99.04452	7.1
105.01876	60.9
109.02896	40.5
127.03938	67.3
127.04798	5.6
145.04964	26.1
155.70018	3.1
159.02882	11.9
201.55829	3.0
213.03954	6.0
231.05017	36.0
234.31522	2.9
249.06046	20.7
325.11404	4.5
375.09384	6.1
393.10269	15.5
411.11411	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	825.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16190	0.1
69.03433	0.4
72.08160	2.1
75.01900	0.2
79.96715	0.2
85.02913	4.3
86.30923	0.2
89.03933	0.3
89.10820	1.3
91.03951	0.3
97.02894	1.0
98.06055	0.2
99.04449	0.4
109.02868	0.2
115.08696	1.1
117.03420	0.6
127.03918	1.5
133.94882	0.2
135.04430	1.2
145.02843	2.6
145.04956	2.0
163.03906	100.0
234.11215	2.2
251.13936	1.6
396.16476	0.7
413.19199	50.8
618.96045	0.2
698.80994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5913
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08155	2.3
79.35279	0.2
80.97962	0.2
85.01450	0.2
92.93325	0.2
97.07646	0.4
98.06045	0.7
103.05469	1.1
103.83181	0.2
114.10292	19.4
115.08691	11.8
131.04929	21.2
131.12895	0.2
138.74550	0.2
164.15955	0.2
170.85521	0.2
179.88963	0.2
201.13873	15.0
202.12265	20.8
219.14937	2.3
244.14439	21.9
249.24870	0.2
261.17096	100.0
292.34302	0.2
437.68170	0.2
475.51151	0.2
535.41925	0.2
546.20563	0.2
826.60388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36492	0.4
58.06592	0.7
60.59686	0.5
92.17886	0.8
117.30248	0.5
136.43504	0.6
144.08090	30.1
145.08992	0.6
158.09631	1.1
159.10445	0.9
170.09642	100.0
171.10420	17.5
171.11867	0.7
198.15378	0.7
201.13887	4.4
202.14671	7.6
207.53864	0.5
262.25641	0.5
262.59286	0.7
265.66135	0.5
823.40143	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.5
70.73866	0.3
79.25159	0.2
82.32755	0.3
115.81900	0.3
144.08090	29.3
145.08882	0.7
153.05472	0.4
158.09663	1.6
170.09645	100.0
171.10413	18.0
187.12263	1.1
201.13832	5.0
202.14658	8.0
206.08319	0.3
220.67752	0.3
260.26358	0.3
823.40186	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33123	0.4
69.51210	0.5
81.08535	0.4
81.66706	0.5
83.61812	0.5
93.88641	0.5
120.08037	0.6
122.42999	0.6
144.08087	100.0
145.08890	5.6
148.07578	0.8
158.09668	2.1
167.07072	2.1
170.09642	84.6
171.10411	13.7
172.09984	1.1
173.10754	2.8
187.12308	7.0
188.13104	14.5
188.14613	0.8
224.10811	1.0
269.16568	1.2
694.16589	0.6
821.38519	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	821.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.4
73.71372	0.8
80.06539	0.8
107.22177	0.8
107.76509	0.9
112.78900	0.8
131.28233	0.8
144.08104	17.8
160.07578	36.5
160.08928	1.4
167.07008	6.5
170.09645	19.6
171.10495	1.3
175.07533	7.9
186.09145	100.0
187.09935	24.1
188.13139	3.7
193.08675	1.5
217.13417	4.0
218.14180	12.5
287.17599	4.2
309.01022	0.9
339.12381	1.5
351.61453	0.8
464.31271	0.9
519.79840	0.9
614.43848	0.9
799.22473	1.0
821.38538	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	821.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.7
86.80953	0.4
92.18459	0.7
94.78651	0.3
106.56052	0.3
106.97742	0.3
137.05977	1.4
144.08073	0.4
160.07582	39.4
161.08365	0.6
170.09627	2.8
174.09134	1.6
175.07504	0.4
186.09151	100.0
187.09927	27.3
202.10962	0.4
203.11859	0.7
217.13379	4.7
218.14154	15.7
297.19275	0.4
317.18515	2.6
821.38629	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39899	1.3
93.40614	1.5
97.43639	1.4
139.17725	1.5
158.66475	1.4
160.07590	31.6
170.09619	5.7
186.09142	100.0
187.09859	25.0
188.10071	1.9
199.52986	1.9
199.58621	1.5
217.13475	2.4
218.14151	11.2
356.01935	1.6
627.08374	1.6
823.40118	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34784	0.1
69.56763	0.1
70.06586	0.2
72.08163	4.8
89.03933	0.3
89.10809	4.4
98.06064	0.4
104.63609	0.2
114.09197	0.2
115.08680	0.8
117.03381	0.9
120.08151	0.3
145.02864	12.2
149.05977	0.2
177.05481	100.0
182.87135	0.2
248.12840	6.6
265.15485	48.9
304.12628	0.2
370.87076	0.2
488.67477	0.2
661.24512	0.2
680.28278	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.7
58.78601	0.3
63.35699	0.3
72.08137	0.4
88.37721	0.3
105.39471	0.4
133.86655	0.4
144.08092	30.8
145.08861	0.6
146.09402	0.3
158.09639	2.3
170.09644	100.0
171.10426	13.9
171.30956	0.4
187.12338	0.4
196.79198	0.4
201.13895	4.8
202.14615	6.4
229.16614	0.4
548.24139	0.4
821.34973	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	0.6
63.17518	0.5
70.06581	0.8
85.02947	0.6
86.52387	0.4
88.92738	0.5
95.46404	0.4
99.27081	0.6
106.00051	0.5
108.28565	0.5
111.98026	0.5
121.03227	0.5
144.08089	32.1
145.08795	0.7
158.09682	1.2
159.10521	0.5
160.07581	0.8
170.09644	100.0
171.10419	17.7
186.09135	3.8
201.13820	5.1
202.14690	6.3
388.71011	0.5
429.69324	0.5
821.35016	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	820.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.4
61.02925	2.8
69.03433	26.4
69.07094	1.8
70.06592	1.4
71.04990	2.1
73.02921	2.4
81.03436	17.9
81.07056	3.4
83.08627	2.6
85.02910	100.0
87.00831	42.1
88.05027	1.4
95.08605	5.8
97.02895	37.6
97.10178	6.1
99.04456	12.6
105.01875	77.3
109.02882	44.8
109.10172	1.6
110.75419	1.6
121.10131	7.2
123.11790	2.1
127.03915	99.3
129.01823	1.9
135.11673	3.3
145.04961	22.8
147.02856	3.1
153.16388	2.7
159.02921	9.9
170.09656	1.9
177.16365	21.0
178.87277	1.6
189.03998	2.5
195.17438	18.4
213.03923	12.4
213.18500	37.1
213.20369	2.6
231.04977	39.7
231.19522	6.8
249.05994	26.2
252.49991	1.4
273.06375	1.4
339.07227	1.3
357.08087	1.7
369.08871	1.5
375.09189	8.7
393.10199	27.8
411.11307	27.0
425.21423	1.7
443.22614	7.9
461.23932	15.8
468.26761	1.7
479.24750	2.7
593.90198	1.7
629.44000	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	820.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07092	13.0
63.40059	6.2
64.83876	6.6
71.08633	12.4
74.75858	6.9
85.10210	9.7
89.06042	100.0
96.27496	7.5
106.01499	7.1
110.41428	7.3
112.21192	7.0
117.09134	12.0
133.08647	13.0
177.11137	9.1
184.07440	11.9
256.63980	9.4
257.24704	7.9
294.20590	8.7
296.78790	7.9
301.04611	7.1
301.27664	9.9
389.76620	8.0
549.74237	8.8
550.81165	10.3
820.60278	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40562	1.3
59.87167	1.2
60.89918	1.3
63.07304	1.2
65.85710	1.4
85.02893	2.1
107.04967	2.4
123.00718	1.5
155.79298	1.4
159.08066	5.6
167.07028	27.5
174.85921	1.7
187.07611	9.2
201.09106	3.4
205.08607	1.9
217.08604	31.7
219.10217	3.4
229.08577	12.2
231.08066	2.1
245.09746	2.8
247.07402	1.9
247.09590	13.4
248.08348	5.7
262.09921	2.2
263.10742	10.4
265.10764	2.6
275.06976	1.7
276.07584	1.5
279.10159	2.3
290.09457	3.4
291.10193	16.2
291.31357	1.5
293.08115	2.3
304.07257	1.8
305.07925	2.5
305.11386	1.5
307.09564	3.4
308.10489	6.9
315.08655	2.9
315.16281	1.8
318.09116	2.5
319.09692	6.2
321.07645	2.3
322.11990	1.6
323.12753	10.8
330.11096	7.5
336.09903	7.3
337.10904	5.4
343.11691	1.5
350.11548	7.1
351.12152	6.5
352.13034	1.8
353.10168	9.0
368.12494	23.8
383.14877	100.0
401.16000	15.6
443.16998	97.0
461.18103	7.0
480.75116	1.6
575.10034	1.8
720.67975	1.6
769.75208	1.7
854.98932	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	816.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10412	0.7
70.06597	44.6
74.06059	1.3
84.04523	3.7
84.08151	16.4
100.07616	0.8
112.07611	92.0
129.10245	36.1
129.11206	1.0
140.07076	100.0
140.89200	0.7
155.11862	1.0
157.09729	35.7
157.11014	1.3
163.03955	0.8
186.12401	0.8
195.11443	0.9
201.12421	1.2
203.10303	3.1
212.14015	3.0
213.08745	1.5
218.15024	3.5
230.15071	6.0
231.09793	3.6
240.13454	7.1
268.12943	13.7
298.73718	0.8
323.17316	3.0
334.13705	0.9
351.16644	9.9
369.17929	1.0
630.94360	0.7
664.25378	0.9
669.83765	0.8
806.12158	1.0
816.40936	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
61.02937	0.9
64.63169	0.4
68.99776	0.5
69.03442	8.8
71.04996	0.8
73.02922	1.7
76.01488	0.4
81.03420	7.1
84.80099	0.5
85.02422	1.0
85.02911	23.0
85.91492	0.4
87.00842	7.1
87.77767	0.4
91.03984	0.4
91.05489	0.6
93.07043	0.7
97.02895	9.7
99.00782	0.4
99.04478	4.1
105.01868	8.2
105.07032	2.7
107.04921	2.2
109.02873	9.7
111.04385	0.6
115.03925	0.8
117.01853	1.0
121.06511	2.2
127.03922	15.4
129.01851	1.7
129.07011	1.8
131.04893	0.7
131.08598	0.8
133.06480	4.8
135.08002	0.7
137.05971	2.7
143.06041	0.5
144.59373	0.4
145.04971	4.3
145.06348	0.5
147.07983	0.8
149.05937	0.9
151.07532	6.9
153.05467	2.1
157.06467	4.4
159.02919	5.4
159.08020	0.6
161.05966	11.7
161.09601	1.8
162.07661	0.7
163.07561	5.4
165.09102	2.9
166.69563	0.5
167.07036	26.2
174.06721	0.9
175.07520	6.9
177.09108	73.8
179.07132	0.5
181.08598	26.0
184.99800	0.5
189.07358	0.7
189.09102	22.1
191.07039	2.3
193.08604	42.4
195.10094	3.1
203.10738	2.2
207.10147	3.5
213.03972	0.7
217.73833	0.4
219.10121	1.5
221.05930	0.6
221.11729	18.9
225.09096	2.8
231.04991	2.0
249.05974	0.6
249.11325	0.8
251.06975	0.6
251.10689	1.0
253.08665	3.1
255.10110	0.9
257.11688	5.2
267.10110	0.8
271.13159	0.7
279.10077	1.7
283.09680	2.1
283.13348	2.1
285.11255	10.4
296.10324	0.7
302.11377	0.6
309.11298	1.9
311.12787	3.0
315.12277	5.0
317.13763	4.0
323.12784	0.5
327.12170	0.7
329.13849	2.2
331.15414	0.6
333.28082	0.4
339.12515	0.5
341.13800	2.0
343.15430	3.4
357.16949	0.8
361.16455	100.0
373.16437	8.1
374.98764	0.5
375.17981	13.6
375.22287	0.7
385.16388	1.0
392.12198	0.6
393.10696	0.5
397.16541	0.5
410.12595	0.5
419.15259	0.5
451.17548	1.0
573.19415	2.1
591.20709	3.0
609.21973	4.8
642.17676	0.6
818.30573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08157	3.0
97.07659	0.9
97.82175	0.3
98.06081	0.6
103.05441	0.8
114.10288	21.0
115.08701	10.8
131.04927	30.7
136.92389	0.4
156.49080	0.4
170.09689	0.9
201.13895	14.7
202.12273	24.8
219.15001	2.1
244.14438	20.6
261.17099	100.0
262.17395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.8
66.65202	0.1
69.47481	0.1
70.06592	0.2
77.36517	0.1
77.72301	0.1
91.87611	0.1
92.31863	0.1
105.61644	0.1
131.07301	0.1
143.07353	0.1
144.08087	30.3
145.08887	1.1
147.04416	0.1
158.09653	1.8
159.10384	0.5
165.38904	0.1
170.09642	100.0
171.10419	18.3
172.11176	0.2
186.11588	0.2
187.12318	0.9
201.11990	0.2
201.13866	5.5
202.14648	7.2
225.81427	0.1
229.54227	0.1
372.18100	0.1
773.55084	0.1
782.90277	0.1
815.32281	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	815.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62749	1.3
64.74636	1.2
70.06603	1.4
70.81122	1.2
74.78545	1.4
83.81522	1.3
99.40105	1.4
104.36945	1.3
115.26244	1.5
124.07568	2.9
127.43961	1.3
138.09067	1.4
145.02867	9.6
159.66956	1.3
177.05473	17.0
198.57385	1.5
232.17609	1.4
237.39313	1.3
278.32648	1.4
285.12234	9.5
362.18726	9.1
380.19638	15.0
382.21201	2.3
391.15421	1.8
406.17575	80.9
408.19241	14.8
426.20313	7.9
452.18155	100.0
470.47156	1.4
523.22638	1.5
545.27887	5.5
591.28217	12.7
616.13824	1.4
624.54620	1.4
631.19440	1.6
769.24323	1.6
785.34235	8.4
815.35010	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	813.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25296	1.4
70.06602	2.6
71.82037	1.3
72.08154	8.2
76.93866	1.6
97.07648	2.1
100.08763	2.6
110.06052	8.6
114.10295	15.5
136.07603	1.8
140.07109	2.2
142.91563	1.8
154.08598	2.3
163.04051	2.0
164.07106	6.2
182.08235	6.0
249.65938	1.5
294.16672	2.0
305.76721	1.7
320.14145	5.8
322.12073	2.1
338.15140	8.9
339.15793	2.4
364.13040	8.8
365.13800	2.1
366.14664	9.9
426.20547	3.1
483.20450	2.2
484.18799	27.0
486.16431	5.1
502.19666	24.1
528.17761	36.2
615.29370	6.4
623.25842	2.1
631.45697	1.9
813.39490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17452	0.3
66.90419	0.3
70.06589	0.3
72.08143	3.4
73.04032	0.5
83.01785	0.3
92.18440	0.3
95.04950	0.4
97.07637	0.6
98.06052	0.3
103.05463	1.9
114.10294	23.4
115.07948	0.5
115.08696	11.4
131.04932	32.8
163.03917	0.3
192.65631	0.3
201.13875	16.3
202.12273	24.5
219.14870	2.2
244.14441	22.8
261.17102	100.0
340.91010	0.3
553.47156	0.3
785.64783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27303	1.0
70.06595	3.1
72.08157	10.5
77.00300	1.1
79.02300	1.2
90.81242	1.2
100.08780	1.3
110.06049	10.0
114.10307	15.1
122.06030	1.9
131.12935	2.3
133.62863	1.2
136.07587	5.8
138.09198	1.7
140.07057	1.8
145.02815	1.5
147.54521	1.4
154.08571	1.6
164.07068	6.5
172.13083	1.4
177.05502	5.5
182.08141	8.3
259.14307	2.0
285.12363	1.7
294.16595	5.9
320.13950	7.7
321.14655	1.4
322.12064	1.8
338.15012	7.4
339.15829	2.2
364.12952	10.8
365.13651	2.4
366.14365	11.9
380.19690	14.0
382.21317	5.0
406.17737	7.8
408.19037	2.1
426.20203	33.6
436.19037	1.5
452.18179	1.9
460.18997	1.5
466.17566	1.6
484.18658	32.4
486.16638	2.9
501.21011	1.9
502.19702	25.8
528.17676	39.1
572.28754	1.5
598.26740	1.6
615.28973	5.4
620.26331	9.9
650.26868	11.1
665.25659	2.0
676.24847	5.3
813.39722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53078	0.6
64.14400	0.6
66.19740	0.7
70.06571	0.9
70.15087	0.6
72.08126	3.4
82.61842	0.5
84.06546	0.6
84.48453	0.6
110.06028	0.8
114.10237	4.2
114.35798	0.6
136.02554	0.8
136.07516	1.1
140.06995	0.8
140.21857	0.6
145.02861	2.4
162.94769	0.6
164.06960	2.7
177.05470	6.7
182.08072	0.6
259.14236	4.3
259.41440	0.7
320.13733	0.9
322.11823	0.7
346.05634	0.9
364.12579	1.2
366.14178	1.5
380.19714	46.7
382.21243	11.6
396.32092	0.8
398.94470	0.8
406.17264	1.5
426.20261	100.0
452.17935	1.4
484.18588	5.0
502.19873	5.5
528.17773	7.9
565.08258	0.7
620.26111	23.4
650.27069	37.2
676.24042	1.5
783.30884	3.9
813.33307	38.1
817.15967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90277	0.6
58.98747	0.7
69.50532	0.8
72.08139	0.7
111.27552	0.8
114.10271	1.8
136.07594	0.8
145.02835	4.2
149.04921	0.7
163.03940	1.7
164.07135	0.9
177.05481	10.5
193.38661	0.8
219.51147	0.9
221.71809	0.9
259.14462	6.3
260.04852	0.8
285.12225	3.0
380.19687	49.7
382.21268	12.0
406.17645	13.4
408.19095	3.4
410.20819	2.8
426.20239	100.0
436.18631	5.0
452.18143	4.9
482.19116	1.4
484.18484	1.8
502.19861	3.3
528.17407	3.1
620.26068	23.4
650.27057	41.4
676.24750	4.0
783.31677	4.7
813.33105	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26076	0.9
70.06601	13.0
72.08163	21.6
84.08147	10.3
94.08272	1.0
94.10954	1.0
96.82297	0.9
98.09713	1.6
99.06864	1.8
100.07610	1.8
110.09647	1.2
112.07618	8.2
112.11241	14.3
113.07114	1.5
114.09147	1.9
115.68248	1.2
120.65842	1.0
123.04445	12.2
126.09170	6.6
128.10785	1.7
129.13907	4.4
129.30342	1.1
135.04395	1.7
136.07578	1.2
143.11823	5.8
155.11784	11.2
157.13353	7.6
163.03911	41.1
165.05504	13.8
172.14481	2.2
178.36444	1.1
184.68295	1.2
220.09685	56.4
221.10327	2.0
222.11253	65.6
233.06079	1.1
234.11424	1.1
236.12706	8.6
251.07057	4.3
251.13989	5.0
255.17322	1.4
263.07022	1.5
265.15472	1.7
269.04495	1.1
269.08127	2.4
279.06412	1.8
283.06033	1.3
293.18625	12.9
293.26233	1.3
295.06042	29.3
297.07529	4.2
310.21384	6.6
323.05478	5.4
324.08566	1.3
346.21152	1.6
350.52921	1.2
352.11850	6.7
364.22263	20.2
365.23141	4.4
380.11301	9.7
453.19897	1.5
487.20184	1.2
579.02112	1.2
632.25543	1.5
812.32269	100.0
823.83258	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20602	4.5
75.82998	5.2
84.23252	4.2
91.22925	4.1
111.06585	5.6
115.41225	4.4
124.50646	4.4
138.37453	4.0
142.22267	4.2
205.54590	4.9
231.10298	4.9
523.16046	5.6
527.15027	7.2
587.34381	6.0
751.72034	6.2
811.27838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36455	2.0
67.08960	2.2
67.65342	2.2
70.06594	2.9
71.82433	2.0
72.08151	10.3
87.39188	2.3
114.10293	9.6
136.07594	3.1
140.63182	2.2
154.13142	2.3
157.10934	2.6
163.03864	2.9
164.07057	17.5
165.61894	2.2
167.07079	3.3
222.11163	3.0
364.13147	2.4
427.99963	2.2
440.15985	8.4
458.17310	18.6
482.17151	14.7
484.15024	42.7
500.18195	30.9
508.14725	2.2
526.16077	60.9
811.24042	3.7
811.37976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.6067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32085	1.7
69.07072	3.1
70.06587	4.6
72.08147	4.0
86.09710	3.0
92.18369	2.7
92.22890	2.0
96.08139	34.5
113.10775	9.8
114.08376	4.4
114.09171	100.0
132.10242	2.5
163.03932	3.5
209.16505	49.8
210.15018	2.9
218.08647	2.2
226.19179	11.7
227.17517	27.2
228.15930	50.8
228.17929	3.4
245.18625	8.3
322.24948	25.1
339.27563	3.3
340.26047	16.9
341.24335	17.9
358.27017	10.9
371.73904	2.5
384.04337	2.4
435.33133	7.9
453.34314	12.4
471.35565	8.4
517.99127	2.4
543.28754	2.2
543.62091	2.2
566.42493	8.5
792.59174	2.9
810.60669	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87087	5.8
67.11671	6.5
79.45337	7.4
100.54365	6.6
140.57404	8.2
171.90788	7.4
260.80173	7.7
278.75320	7.6
527.16022	11.4
811.27374	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	810.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	12.7
59.33961	6.7
65.51633	9.2
71.08627	18.4
74.00095	7.6
80.66642	7.4
82.64940	7.9
83.44714	7.2
85.10181	11.9
87.04466	14.3
89.06033	100.0
92.18157	10.4
102.79693	8.4
119.55028	7.9
121.06419	7.8
133.08575	11.8
139.51952	9.6
167.42686	8.0
173.00272	8.9
182.77956	8.6
292.64700	8.2
293.94318	7.8
636.73779	8.9
788.83118	8.2
810.55457	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	810.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.5
61.02926	5.3
65.05796	1.2
65.50993	1.1
67.05491	2.0
68.22428	1.3
69.03430	24.1
69.07087	1.6
71.05005	2.1
73.02920	5.8
74.28568	1.1
78.85445	1.4
79.05507	3.1
81.03431	15.7
81.07065	41.3
85.02909	93.6
86.16764	1.2
87.00832	37.3
88.62742	1.4
91.05466	1.7
93.07034	1.2
95.04967	1.2
95.08607	12.5
97.02898	36.1
99.04452	14.4
105.01173	2.5
105.01871	55.6
105.07033	10.2
107.08624	11.5
109.02165	1.8
109.02892	38.9
109.10176	15.2
111.04438	1.6
119.08600	11.5
121.10160	10.3
123.11700	1.9
127.03922	74.1
129.01805	2.0
133.10121	7.6
135.11687	5.5
145.04953	22.7
145.10196	1.8
147.11665	12.8
149.13258	2.7
159.02946	10.8
159.11697	1.4
161.13268	8.7
163.14813	49.2
165.12762	8.6
175.14847	6.8
201.16380	5.6
203.17960	100.0
205.19528	7.2
213.03975	7.2
221.18996	22.5
231.05020	24.6
249.06082	14.9
264.57257	1.4
271.08115	1.8
375.09314	5.7
393.10318	15.5
411.11188	13.0
433.22177	6.1
451.23212	5.6
469.24445	8.5
693.23871	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	810.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96135	0.7
58.06606	3.0
60.70709	0.7
67.84435	0.8
70.06599	35.3
72.08162	25.6
84.04485	1.7
84.08147	10.3
86.20116	0.8
98.06059	1.6
99.99537	0.7
100.07630	12.2
104.12635	0.8
110.09679	10.6
112.07594	12.5
112.11249	8.6
113.07156	1.2
123.04433	4.1
127.12362	0.9
129.12817	0.8
129.13957	1.5
153.10249	1.2
155.11806	8.5
163.03920	5.3
165.05470	4.4
178.50456	0.9
218.08180	1.0
220.09683	3.3
222.11456	0.9
231.00713	1.6
231.02882	16.9
234.11133	0.9
236.12904	6.0
276.06689	1.7
279.03262	0.8
284.48126	0.8
290.04507	3.9
291.17035	1.9
304.06088	4.4
305.04526	1.6
306.07663	12.0
320.05783	0.8
332.09180	9.6
360.08698	20.8
362.10315	14.1
378.09738	3.3
381.07733	1.1
382.07254	1.1
384.63324	0.8
385.07227	3.1
399.08820	0.8
424.08060	1.6
425.06662	2.8
428.21982	1.2
535.01465	1.0
540.15216	3.7
542.16217	1.1
612.23322	7.4
630.23364	1.2
792.29590	3.9
810.30804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87422	0.9
58.06599	2.1
66.76295	1.0
70.06602	14.3
72.08157	14.6
80.64337	0.9
84.08153	8.2
87.09233	2.4
100.07595	1.3
107.75626	1.0
110.09718	1.0
112.07598	5.6
112.11264	9.2
112.11922	0.9
112.13088	0.9
113.07142	1.9
115.08710	1.3
118.38716	1.0
126.09168	6.7
127.12371	1.1
128.10770	1.9
129.13882	6.5
135.04446	1.8
143.11755	1.2
145.02881	2.4
155.11777	9.4
157.13416	2.2
163.03899	56.9
183.14886	7.8
200.17581	10.2
219.09084	1.7
219.11255	1.2
220.09686	100.0
221.10297	1.2
222.11301	1.4
234.11234	1.3
237.12512	1.2
249.12416	2.1
255.06313	1.6
291.16980	8.1
308.19577	1.7
323.05551	4.7
332.55856	1.0
344.91742	1.0
360.13010	1.2
362.20758	24.6
363.21698	6.4
394.12769	4.5
427.46188	1.2
451.18674	1.8
468.21182	1.2
574.65790	1.1
630.24121	1.6
773.71558	1.1
810.30695	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	810.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99607	5.0
65.08405	0.5
70.06599	0.8
76.02233	45.2
76.03974	0.9
84.04514	8.0
96.37733	0.5
96.59037	0.6
97.40632	0.5
102.15746	0.5
107.04942	2.4
116.01683	10.8
130.05009	8.0
142.03217	4.9
144.01151	9.0
144.08124	1.1
145.51526	0.6
146.02719	0.8
157.99561	0.6
158.07249	0.7
159.08070	0.5
162.02199	31.3
167.07019	4.3
169.06422	0.7
170.02721	2.6
170.07268	2.5
170.09642	5.3
171.10074	1.2
179.04865	22.7
186.06798	2.3
187.05379	2.3
187.07516	1.1
197.06271	0.6
199.24631	0.5
200.08350	2.8
201.09157	5.6
205.08575	6.5
215.04829	1.2
217.08667	0.9
229.08566	11.3
229.10672	0.7
231.08066	3.0
231.10228	2.0
232.08716	0.7
233.05887	7.4
233.09673	2.2
235.11115	1.1
245.06012	2.3
245.09604	3.5
247.09735	2.1
248.08315	5.5
259.07669	0.9
261.09161	2.2
262.09900	4.9
263.10693	8.9
265.08624	0.9
273.09015	2.3
275.07053	1.2
276.07828	5.7
277.08624	1.2
279.10229	1.2
280.10910	0.5
287.06760	0.6
289.08295	0.8
290.09457	4.6
291.10129	14.9
292.11032	0.7
293.08109	4.0
304.07410	1.2
305.08136	2.8
305.11618	1.1
307.09540	6.1
308.09070	100.0
315.08463	1.2
316.37518	0.5
318.08813	1.1
319.09589	7.0
320.10202	0.7
321.07578	4.2
321.11145	1.1
322.12018	4.0
323.12750	7.6
325.10797	0.8
326.11343	0.8
330.11139	2.2
333.11261	0.6
335.09134	3.1
336.09854	6.0
337.10730	9.2
340.13104	2.3
350.11533	4.7
351.12228	6.9
352.13141	3.1
353.10162	14.3
368.12543	31.2
383.14868	93.2
443.17010	58.9
457.71237	0.6
810.28046	0.6
810.35553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02889	2.5
76.02229	46.7
80.34722	3.0
84.04538	3.6
91.05522	3.4
92.17896	6.4
93.07006	4.0
98.02573	3.0
98.70576	3.4
103.05502	3.6
103.39951	3.1
107.64808	3.3
116.01691	5.4
121.06512	15.8
130.05023	3.7
131.04948	3.5
137.06027	4.6
142.03281	3.7
144.01115	7.3
145.02870	5.8
149.06004	68.1
162.02194	33.0
167.07158	4.6
177.03265	4.0
177.05495	37.8
179.04871	24.4
181.08598	57.3
191.06995	28.3
207.08958	4.7
209.08092	97.1
215.81343	3.3
223.04279	30.4
223.38599	2.9
224.31052	3.1
233.05927	5.3
236.34166	4.0
251.09119	90.1
264.88187	3.1
276.90952	3.7
308.09103	100.0
320.50436	4.0
369.11206	14.5
498.15894	14.6
558.17407	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	810.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02947	14.7
74.96727	1.3
76.03983	3.3
81.03429	1.9
83.06134	1.3
84.04524	5.7
95.04978	1.7
97.02879	1.5
99.05581	2.2
108.77458	1.3
110.05983	1.8
112.03944	1.6
116.03452	2.3
127.03835	1.9
129.06589	2.8
130.05000	8.6
137.07234	2.1
145.06090	100.0
147.04408	1.6
153.06592	3.1
155.08176	1.8
176.07025	3.2
179.01590	2.3
188.44432	1.4
192.06584	1.7
193.03270	2.1
193.06032	1.5
194.02725	3.4
195.01080	15.2
199.07127	11.1
207.01117	8.9
208.04288	1.8
211.07135	23.0
219.01250	5.4
236.03786	8.1
264.03265	10.8
274.10410	1.5
468.11087	2.5
519.12909	1.7
582.41205	1.5
594.13812	1.8
597.67694	1.6
612.14417	2.3
630.15662	10.9
648.17010	18.7
681.16553	1.7
810.22498	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04522	1.6
70.06574	1.1
72.08160	100.0
74.06071	4.2
84.08134	1.4
85.95854	1.0
98.80990	1.0
100.72832	1.0
107.93504	0.9
114.09160	1.2
120.08101	32.5
120.15063	1.1
129.10132	1.0
141.06609	4.4
141.10205	7.8
144.08098	6.3
155.11696	1.4
157.80035	1.1
159.07675	5.8
159.11278	17.7
159.98677	1.2
162.09148	1.1
169.09752	2.2
170.09633	9.4
170.10880	1.0
173.12830	2.4
187.10748	7.4
193.82320	1.0
195.11293	3.9
201.12326	2.0
207.11351	5.7
210.08765	1.1
213.12263	2.0
217.09799	8.4
219.13226	3.1
219.15070	2.2
228.09920	1.7
235.10826	4.1
240.13405	12.5
242.11331	1.4
258.14468	2.0
292.12857	7.2
309.15741	1.5
316.16513	5.3
327.16678	1.2
405.21628	1.6
426.23526	4.0
474.23367	1.5
524.21210	1.3
552.30310	1.5
555.29291	7.6
573.30579	19.5
591.31677	15.1
656.34039	1.9
674.34406	4.9
690.83014	1.2
692.36139	4.3
809.44952	14.5
819.44366	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77172	8.1
60.94013	8.5
63.54641	10.0
65.83375	11.1
70.79478	10.1
76.25090	9.3
100.98240	11.2
118.99387	10.5
147.16441	12.8
279.58411	10.9
325.08401	11.5
473.76846	10.6
497.19388	10.5
753.79150	13.3
809.26501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89027	0.3
58.06595	0.6
70.06596	0.4
75.05420	0.4
77.46384	0.4
84.88225	0.3
86.09715	0.4
87.36258	0.4
144.08086	34.1
145.08875	0.5
158.09627	1.8
159.10347	0.4
163.03949	0.5
164.07021	0.7
169.15633	0.4
170.09641	100.0
171.10416	15.5
181.39044	0.5
201.13879	5.2
202.14671	6.7
218.85237	0.4
385.91843	0.4
425.94809	0.5
436.22308	0.5
484.66245	0.5
630.16553	0.4
809.34851	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	809.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04541	1.6
70.06552	1.4
72.08158	100.0
74.06090	1.8
92.56757	1.2
111.78937	1.2
114.09149	1.3
120.08098	34.3
131.08205	2.2
141.06575	5.4
141.10242	2.6
144.08087	2.0
152.51828	1.1
159.07655	7.2
159.11295	12.7
170.09605	5.7
172.32532	1.2
183.07942	1.4
183.11316	1.2
185.12796	2.0
187.10793	6.2
195.11287	2.1
201.12277	1.6
207.11250	4.8
213.12328	1.9
217.09764	7.2
219.13261	2.5
219.15109	2.6
230.24538	1.2
235.10789	4.4
240.13461	14.1
247.14291	1.8
264.13446	1.6
271.14520	1.8
292.12924	6.7
309.15765	1.9
310.00955	1.2
316.16711	4.2
405.21268	1.2
555.29224	5.2
573.30548	17.0
591.31305	15.0
656.33679	1.6
692.36224	2.5
809.45599	11.3
811.06262	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	0.9
69.58144	0.8
70.06602	12.1
72.08160	13.5
84.08149	13.5
90.92653	0.9
98.06055	5.0
98.09705	3.9
98.92851	0.8
100.07614	1.7
112.11272	7.9
113.07135	3.8
126.05532	3.8
126.09154	2.1
129.13853	1.5
129.75195	0.8
155.11786	11.7
163.03893	1.8
172.14441	1.1
222.11288	1.1
232.09700	0.9
234.11633	1.1
302.23404	0.8
308.06339	0.9
378.09543	1.7
423.05066	1.1
482.09286	1.1
554.87885	0.9
790.28339	1.2
791.26239	1.6
808.29211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74736	0.5
58.06603	0.6
62.84684	0.5
63.22054	0.4
66.74915	0.4
70.06600	11.0
72.08160	17.9
84.08150	10.5
97.08904	0.5
97.60800	0.5
98.06049	1.0
98.09686	2.8
101.07133	0.8
104.66427	0.5
110.09681	15.7
112.11248	7.1
113.06332	0.9
113.07127	24.0
113.07890	1.0
114.09166	0.6
126.09164	0.7
127.08679	0.6
129.13869	0.7
148.88771	0.5
155.11795	100.0
163.03951	0.7
166.94534	0.5
172.14432	14.0
191.03531	0.6
198.12399	0.6
203.03555	0.7
231.02859	1.1
240.06471	0.6
255.06482	0.7
262.12799	0.5
267.06479	3.4
294.07803	0.5
296.09293	1.9
308.05466	1.0
320.36429	0.6
320.66565	0.5
322.10873	0.7
324.12640	0.5
337.12192	0.8
338.10132	0.6
341.08231	2.1
345.07614	2.4
355.10016	0.7
357.07535	1.1
359.09210	5.0
369.07666	3.6
371.09369	2.4
383.09213	4.6
387.08530	7.4
397.06946	3.8
399.09033	0.8
401.10315	1.9
408.19299	2.6
411.08884	0.8
413.09131	0.9
414.09647	2.1
415.08148	6.0
421.07169	1.1
426.10110	0.8
426.20245	2.1
437.06638	2.8
438.09375	0.6
439.08316	0.9
441.05954	1.9
466.09555	0.9
586.21948	9.1
600.23602	2.7
610.22021	3.1
628.23334	2.1
790.28235	10.4
808.29291	49.2
837.76715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	17.5
61.42380	0.4
70.06579	2.7
72.08159	59.1
77.39450	0.5
84.08141	3.5
95.04975	1.0
102.09203	7.1
103.43667	0.5
107.04962	9.8
107.08566	0.6
117.03764	0.5
135.08060	100.0
144.39310	0.5
161.09598	6.8
173.09586	5.9
191.10681	5.0
209.11725	17.8
245.46437	0.5
404.24289	6.5
446.25540	2.0
448.26807	3.6
488.30237	1.0
806.44733	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	1.1
64.59312	0.2
67.15659	0.2
82.58751	0.3
88.93206	0.3
110.83199	0.3
139.31630	0.2
144.08090	28.8
145.08655	1.1
158.09657	2.0
170.09645	100.0
171.10410	19.5
172.10619	1.5
184.78023	0.3
186.99202	0.2
187.12321	0.6
201.13847	5.1
202.14653	9.7
203.15031	0.4
261.06891	0.3
283.73996	0.3
807.40448	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71670	5.7
70.93571	5.1
88.74120	5.2
155.99591	5.1
167.07089	5.7
241.08507	6.9
261.08923	5.6
278.09424	7.3
287.47971	5.4
301.10788	5.6
306.08920	26.0
320.10535	6.9
321.11429	12.3
329.10242	26.7
334.08505	8.0
349.10672	29.4
350.11792	6.7
351.08701	6.1
366.11078	22.0
381.13293	82.6
392.89053	6.5
399.14432	11.8
409.12735	7.7
441.15457	100.0
459.16464	24.8
501.17285	5.9
502.48270	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	806.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
73.34255	1.3
74.56575	1.2
91.05476	3.2
97.95472	1.4
103.05500	2.0
105.07011	2.8
115.05473	1.5
119.04971	2.5
121.06518	7.6
129.30298	1.5
131.04947	6.7
133.06516	7.5
134.03645	1.6
138.06706	1.7
139.07538	2.9
147.04457	2.8
149.05966	26.5
151.07533	18.1
153.05472	33.5
161.05986	11.6
163.07538	2.1
167.07079	2.2
176.04739	2.4
176.08344	8.1
177.05502	18.2
177.09126	10.0
179.07031	12.7
181.04987	14.3
181.08557	23.8
189.09100	5.7
191.07027	42.5
193.08652	6.3
195.93034	1.5
196.07368	6.9
197.08144	2.2
207.06543	77.4
207.08496	2.8
209.08130	45.2
225.07584	73.1
251.09143	45.3
267.08624	100.0
278.75253	1.6
337.12689	5.3
381.13141	2.3
390.16904	1.7
399.14453	2.5
441.14969	1.6
645.94885	1.6
664.32227	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	806.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62606	7.6
63.40925	6.9
69.53522	8.8
71.84998	7.9
92.18522	10.4
101.95639	8.5
115.78030	8.2
194.34116	8.2
241.08603	10.6
261.09210	11.9
306.08810	11.2
307.09497	8.6
321.11349	29.7
329.10144	20.2
334.08267	13.1
335.09244	9.4
349.10651	19.8
374.07419	8.3
381.13217	67.4
399.14444	19.5
420.93259	8.7
422.72610	8.4
441.15482	100.0
459.16534	13.8
656.37085	11.0
722.37878	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	805.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06579	1.0
87.33868	0.2
92.18380	0.5
137.05971	0.4
144.08087	29.7
145.08852	1.1
158.09641	1.6
159.10492	0.4
168.80128	0.2
170.09647	100.0
171.10423	19.8
175.07539	1.0
186.11546	0.3
187.12320	0.9
201.13849	4.1
202.14644	12.1
301.19189	2.5
367.13483	0.3
521.46136	0.3
805.39044	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41090	0.9
61.04185	0.8
62.98467	0.8
71.25345	0.8
73.63231	0.9
96.67474	0.9
140.93370	0.9
143.08698	1.0
144.08095	28.5
145.08849	0.9
158.09663	3.6
170.09650	100.0
170.80634	1.0
171.10428	20.3
201.13887	3.4
202.14665	9.8
302.58331	1.1
310.11844	1.0
570.60413	1.1
741.50958	1.0
805.39075	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	0.6
61.46129	0.2
68.07181	0.2
84.55996	0.2
89.81904	0.3
106.87848	0.3
107.77166	0.3
137.05977	1.6
144.08092	31.5
145.08858	1.5
146.97253	0.3
158.09685	2.2
159.10428	0.4
164.03006	0.3
170.09645	100.0
171.10416	19.3
171.28760	0.3
172.11259	0.3
175.07465	0.4
187.12305	1.0
187.28583	0.3
191.84021	0.3
201.13867	5.1
202.14665	9.6
221.15759	0.3
301.19037	0.4
375.23660	0.4
529.66370	0.3
803.37506	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96236	6.0
74.60284	6.2
83.26221	6.2
90.90747	6.3
241.73608	7.2
244.86256	6.3
273.66934	7.7
334.08273	8.2
349.10651	27.4
381.13333	31.7
441.15442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	0.6
62.42432	0.5
70.06593	1.3
89.41869	0.6
90.97913	0.5
144.08090	32.3
145.08847	0.9
158.09639	2.5
170.09650	100.0
171.10422	17.2
172.11125	0.7
187.12387	0.8
198.93257	0.7
201.13913	5.3
202.14644	5.9
276.07135	0.6
278.75327	0.6
278.97372	0.6
280.14053	0.7
290.76428	0.7
752.16107	0.8
805.24683	1.0
805.39087	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	0.9
82.47462	0.4
85.02915	0.4
86.16467	0.4
134.31642	0.4
160.07585	33.1
161.08334	0.8
170.09671	0.8
174.09065	1.0
186.09157	100.0
187.09938	56.3
217.13361	3.3
218.14159	89.7
277.15378	0.4
317.18622	42.0
335.90353	0.4
441.61145	0.5
466.36786	0.5
803.34540	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	802.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89721	2.3
66.56744	2.1
70.39675	2.5
87.08990	2.4
98.09208	2.7
98.09708	41.2
107.04986	9.1
124.11237	11.5
135.08061	100.0
135.55885	2.4
142.12299	24.6
168.21106	2.7
168.73154	2.6
173.09668	11.0
209.11742	19.3
245.04211	3.2
442.25925	3.9
444.27319	29.5
461.10812	2.6
461.18600	2.5
691.18848	3.1
802.45221	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80917	0.2
63.18600	0.2
74.89178	0.2
76.58028	0.2
81.13950	0.2
91.48833	0.1
94.78751	0.2
95.27678	0.2
107.04938	0.9
118.06562	3.1
130.06540	0.4
132.08090	2.4
143.07288	0.4
144.04433	0.3
144.08098	7.0
146.06021	40.5
159.07954	0.3
159.09163	4.2
160.07555	0.4
167.07043	3.6
170.06015	2.5
173.05977	0.2
184.44771	0.2
188.07077	100.0
202.06685	0.2
205.09750	43.2
217.08548	2.0
217.65652	0.2
219.08118	0.3
219.10127	0.2
229.08647	0.8
233.98471	0.2
247.07578	0.4
248.08197	0.2
251.10570	0.3
261.09143	0.4
262.10065	0.2
263.10663	0.4
271.09641	0.3
275.06967	0.2
276.07651	0.3
279.10190	1.2
290.09299	0.3
291.10178	1.3
307.09811	0.3
308.10428	0.4
311.12766	0.3
315.08527	1.5
321.07437	0.2
323.12793	0.3
328.09485	0.2
330.11020	3.6
336.09958	0.4
339.12302	0.8
343.11728	1.2
351.12262	0.8
353.10254	0.8
368.12598	1.7
369.13309	1.2
383.14905	7.8
401.15979	18.1
411.06073	0.2
419.16888	0.9
725.30048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05817	0.2
70.95168	0.2
72.08156	10.6
89.03900	0.3
89.10793	9.9
98.06071	0.5
102.09300	0.2
115.08663	1.7
117.03405	0.8
128.45857	0.2
140.72058	0.2
145.02838	15.2
149.06046	0.3
165.05423	0.4
177.05461	100.0
189.60440	0.2
215.45589	0.2
222.11253	4.8
223.11502	1.8
241.94609	0.2
248.12808	4.0
265.15448	52.0
321.32758	0.2
384.16489	0.3
490.98724	0.2
493.90817	0.2
799.36713	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	800.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	0.8
59.07414	0.8
65.82924	0.7
69.03432	7.5
72.08164	1.3
73.02930	20.1
81.03407	0.9
85.02919	5.8
86.09679	1.3
87.00806	0.9
91.05507	1.2
97.02904	4.7
99.04487	1.0
105.07070	2.6
119.08613	3.2
120.22670	0.9
121.27375	0.9
127.03907	3.5
129.07068	0.9
133.06471	2.9
133.10162	0.9
135.04353	1.0
137.05995	9.3
141.06960	0.9
143.13281	0.8
145.06454	1.3
147.08089	7.3
148.05199	1.0
149.05974	1.0
151.03902	1.0
160.05235	1.1
161.05984	1.2
163.07477	1.6
169.06502	3.5
173.09598	1.5
173.63400	0.8
175.07549	50.9
177.05569	1.2
177.09119	1.7
181.05016	4.3
186.06839	1.5
187.07542	5.8
189.09108	1.2
193.08658	5.5
195.06586	8.3
201.09128	1.8
213.09030	1.3
281.11859	1.2
283.09665	13.9
284.10345	1.2
294.08942	4.5
296.28400	0.8
305.08170	1.0
309.11447	4.8
311.09174	45.0
322.08301	1.1
325.10736	12.9
337.10727	17.1
348.30621	0.9
355.11743	10.8
369.13470	1.4
415.19983	1.2
642.63458	0.9
650.91217	0.9
663.63019	1.0
730.92255	1.0
741.27216	1.7
800.34888	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99591	4.4
64.90675	0.6
69.07066	3.0
70.06602	1.1
72.08141	0.8
76.02233	56.3
78.55804	0.7
81.07065	0.6
83.08624	1.1
84.04501	8.3
85.02860	0.9
90.93050	0.6
92.17890	0.9
95.08638	0.7
96.65974	0.7
97.10159	1.2
107.08665	0.8
116.01696	10.0
117.07021	0.7
129.06989	1.3
130.05000	11.7
131.07242	0.9
142.03284	6.3
143.08553	1.5
144.01149	10.9
144.09326	12.4
146.02747	1.2
146.09604	0.6
153.85495	0.7
155.87560	0.7
157.08907	1.3
158.09645	1.5
158.10860	0.8
159.08081	1.3
162.02193	54.8
168.08081	0.8
170.02701	3.9
170.09677	0.9
171.08015	1.1
171.10400	1.0
172.11224	0.9
174.09155	2.8
179.04857	37.2
182.09657	0.9
183.11668	0.9
184.11249	0.9
187.05367	1.3
188.10745	4.0
188.21735	0.8
197.08546	0.7
199.09836	0.9
200.12085	1.3
202.08620	6.4
210.12856	1.5
214.08644	0.9
215.04903	3.4
216.10295	5.2
220.09691	28.6
228.13705	1.6
230.11731	1.2
232.09764	1.4
233.05894	13.7
233.07826	0.9
234.11255	9.0
241.15955	1.4
242.15375	1.5
244.13312	2.9
245.05939	4.1
246.11261	20.4
256.13348	3.5
269.18887	0.8
274.14352	7.8
284.21262	1.0
285.18497	1.7
291.06516	1.2
308.09097	100.0
312.19623	1.3
313.50180	0.7
319.41663	0.8
330.20618	16.4
452.13480	1.6
470.14407	14.3
637.28735	2.9
762.11169	0.8
799.34283	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99584	6.1
66.32817	1.1
69.07064	6.2
76.01804	2.1
76.02232	53.4
76.04002	1.8
78.82394	1.2
83.08600	1.6
84.04497	8.7
97.10146	2.3
105.62152	1.2
116.01678	11.6
123.11742	1.2
129.07004	1.5
130.05038	9.9
131.08546	1.4
142.03214	5.8
143.07373	1.1
143.08533	1.5
144.01186	14.8
144.09346	14.1
145.08803	1.1
146.02637	1.3
146.09705	1.3
157.08852	1.3
157.10086	1.2
158.09619	2.3
162.02187	66.0
170.02730	5.0
170.07239	1.4
170.09634	2.2
171.10426	4.1
174.09122	1.9
179.04858	48.8
183.11728	1.2
187.05357	1.6
188.10733	2.4
195.10611	1.2
199.09929	1.5
202.08635	7.4
210.12831	1.5
214.08522	2.5
215.04805	2.7
216.10338	2.7
220.09700	34.2
228.13609	2.0
230.11819	1.7
232.09676	1.6
233.05896	17.7
234.11288	15.5
241.15755	2.1
244.13350	2.2
245.05977	1.9
246.11276	24.7
260.12793	1.6
274.14438	6.9
285.18347	1.4
291.06546	2.4
297.85886	1.2
300.20865	1.5
308.09088	100.0
309.56546	1.3
330.20651	14.8
470.14462	10.3
499.37500	1.2
637.29083	14.6
670.29401	5.1
799.34253	35.4
804.42169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.366
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06573	0.7
59.20937	0.1
61.02920	0.2
69.03434	1.1
70.06573	0.8
72.08162	3.8
79.66236	0.1
80.49644	0.1
81.03386	0.5
84.08150	0.8
84.97098	0.1
85.02914	1.5
87.04448	0.2
97.02870	0.4
99.04443	0.2
100.07626	1.8
109.02872	0.2
112.11233	1.4
114.09179	0.2
123.04427	6.9
127.03869	0.5
129.13882	0.4
136.07590	0.2
163.03888	0.8
164.07111	0.3
165.05475	11.9
194.08235	0.2
220.09761	0.5
221.08136	0.2
221.10129	0.2
221.12894	1.1
222.11259	100.0
236.12817	8.9
239.14015	0.4
253.15443	0.8
262.80554	0.1
264.12311	0.3
265.15421	0.5
279.17010	0.2
292.20322	0.2
293.18588	3.0
310.21191	1.7
376.44717	0.1
384.16519	7.1
398.18335	0.3
426.39041	0.1
455.23434	0.2
456.24911	1.4
457.23251	2.0
474.26019	10.5
514.62140	0.1
526.01868	0.1
548.41418	0.1
636.31201	1.5
798.36511	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	798.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.3
58.06588	0.3
67.87197	0.2
69.03429	0.5
70.06557	0.5
70.86537	0.3
72.08159	3.5
84.08105	0.4
85.02875	1.4
89.68257	0.3
97.02898	0.4
100.07585	0.6
112.11230	1.1
123.04415	6.2
124.11739	0.2
127.03902	0.3
129.13879	0.4
136.07486	0.3
146.47343	0.3
164.07018	0.4
164.71370	0.3
165.05464	9.6
171.66656	0.3
174.19682	0.3
186.96504	0.3
194.08145	0.5
221.13022	0.4
222.11255	100.0
230.28886	0.3
236.12817	9.5
253.15527	0.5
264.12277	0.4
265.15378	0.4
293.18646	2.7
310.21344	1.4
368.84763	0.3
374.82562	0.3
384.16534	17.6
398.17987	0.4
456.24945	1.7
457.23264	2.1
474.26074	8.8
497.96295	0.3
580.75037	0.3
636.31647	2.3
798.36536	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	0.5
59.04971	0.2
69.03430	0.5
70.06562	0.6
72.08161	3.8
73.73095	0.2
81.03403	0.4
84.08112	0.6
85.02888	1.5
87.04402	0.3
88.94349	0.2
97.02867	0.4
100.07573	1.4
112.11206	1.1
123.04418	7.5
129.13858	0.5
137.05991	0.3
165.05466	11.7
190.75113	0.3
221.12810	1.4
222.11255	100.0
236.12820	8.6
273.15189	0.3
293.15814	0.4
293.18634	2.6
310.21164	2.1
319.50037	0.3
384.16541	13.0
456.25082	1.5
457.23663	1.6
472.93817	0.4
474.26001	10.0
482.83441	0.3
536.19012	0.3
636.31317	1.7
773.59613	0.4
798.36548	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	797.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	1.0
58.86528	0.9
59.95559	0.6
63.18605	0.7
63.52744	0.8
63.76310	0.7
66.19148	0.7
67.11955	0.8
70.06590	0.9
76.11427	0.7
82.06551	0.8
85.02879	0.9
85.69335	0.8
100.52255	0.7
105.65445	0.7
112.00250	0.8
122.09694	5.5
160.07582	36.4
170.09631	1.6
174.09232	1.5
186.09154	100.0
186.70654	0.9
187.09926	28.1
217.13422	7.4
218.14105	15.4
320.80124	0.8
333.67938	0.9
591.28033	0.9
711.38147	0.8
797.33856	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02972	1.6
69.03423	1.6
85.02911	8.2
91.05415	1.4
94.33978	1.6
97.02872	1.8
99.04423	1.9
105.07031	3.2
122.09644	2.3
131.04947	2.7
140.04715	3.1
153.05540	2.7
155.07010	3.8
160.07587	15.2
167.07047	47.7
167.29044	1.7
186.09132	40.2
187.09933	10.3
189.05515	2.6
191.07025	8.0
201.03566	2.7
201.05476	81.7
203.06877	1.9
205.13391	2.6
213.05458	29.1
218.14142	6.1
231.06480	11.6
233.12892	18.2
235.07439	3.5
247.07561	6.3
261.09241	1.7
263.07098	5.9
264.07803	6.3
265.08664	2.0
274.40033	1.6
275.07092	9.2
279.10263	1.7
289.08615	6.0
292.07294	9.9
295.09775	8.1
303.06558	43.6
304.07248	6.9
305.04593	3.1
305.07813	2.1
307.09695	10.5
317.07925	3.1
320.06799	41.5
323.09158	9.1
324.10049	2.0
335.09122	83.6
337.10873	2.0
349.10529	2.1
352.09436	2.6
355.11786	16.6
367.11737	70.5
385.12787	100.0
605.24774	9.8
635.26093	26.8
654.56677	1.6
697.03650	2.2
768.55408	1.7
797.33313	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	796.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	67.2
67.05715	10.2
67.42028	8.5
72.86745	9.3
84.42547	12.2
87.04467	20.2
89.06060	79.6
107.08611	14.9
121.06562	13.3
133.08597	22.1
175.51874	9.6
197.59245	11.2
233.19032	21.3
285.02216	11.2
292.23413	11.4
444.61795	12.5
796.54309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	0.6
61.02909	0.4
61.88070	0.2
69.03410	1.3
70.06571	1.7
70.67799	0.2
72.08147	3.2
81.03419	0.5
84.08118	1.2
85.02909	5.6
87.04439	0.5
89.03933	0.3
92.28965	0.3
97.02876	1.5
97.92436	0.3
99.04391	0.3
100.07835	0.3
109.02872	0.5
112.11246	2.2
117.03345	1.2
123.04424	0.7
125.17295	0.3
127.03910	1.5
129.13873	1.2
135.04425	3.1
145.02861	5.2
145.04922	1.3
149.62842	0.3
152.44426	0.3
155.11844	2.7
163.03903	100.0
165.05443	2.5
167.62070	0.3
172.14461	0.4
174.98831	0.3
175.00313	0.3
219.11208	0.4
220.09694	83.3
221.12675	0.4
222.11325	0.7
236.12814	7.9
253.15440	1.7
279.17218	0.3
291.17072	0.3
292.20282	0.5
293.18573	8.0
310.21252	25.3
373.22372	0.3
382.14948	9.9
425.86731	0.3
441.89124	0.3
454.23428	1.1
455.22314	1.3
461.18515	0.3
472.24646	3.5
634.29547	3.2
730.67908	0.4
796.35022	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	796.473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01743	4.5
59.05010	100.0
64.11088	5.2
67.41724	4.9
68.30522	5.6
69.35217	6.0
89.06010	6.9
97.69528	5.2
103.07597	49.1
104.66973	6.4
147.10165	7.1
221.08395	9.8
239.09526	33.0
273.07999	6.1
291.44495	5.9
335.19168	5.7
485.27438	6.9
754.64124	6.1
796.47241	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04552	0.3
65.20772	0.1
84.05633	52.3
143.76102	0.2
208.14436	4.6
226.15497	100.0
227.15941	0.2
308.75177	0.2
544.14148	0.2
630.67816	0.2
632.55347	0.2
657.05432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94203	0.6
69.03436	1.5
70.06602	1.1
70.47835	0.6
72.08149	3.8
75.92193	0.6
77.83292	0.6
81.03381	0.7
85.02921	5.9
85.84947	0.7
91.03960	0.9
96.94514	0.6
97.02874	1.5
109.02901	0.6
112.11237	2.6
117.03392	0.9
123.04423	1.5
127.03935	1.2
129.13904	0.7
135.04416	2.5
145.02853	5.1
145.04927	1.5
155.11847	1.6
163.03905	100.0
165.05490	2.6
172.14580	1.0
201.13461	0.7
220.09686	81.4
222.11269	4.6
224.14006	2.7
236.12849	7.9
253.15532	1.3
293.18613	7.6
307.95142	0.8
310.21243	21.7
326.16531	0.7
382.14987	6.7
419.36514	0.7
472.25287	0.8
506.54169	0.8
634.29999	1.7
796.35028	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.5
62.61043	0.3
69.03408	0.9
70.06578	0.9
72.08171	3.5
85.02903	0.5
85.35821	0.4
112.11215	2.1
123.04416	0.6
129.13869	1.9
135.04398	2.0
140.99492	0.4
145.02875	3.6
147.04395	0.6
155.11815	1.0
163.03905	68.2
165.05424	1.6
220.09697	100.0
236.12868	7.3
253.15358	0.4
265.15729	0.4
293.18527	3.5
310.21255	10.5
327.44727	0.4
382.14899	1.0
454.23538	2.2
455.21863	2.8
472.24152	4.2
541.88739	0.5
634.29761	2.3
796.35016	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38684	2.7
70.06598	4.1
72.08167	4.2
75.64392	2.5
110.20107	2.7
114.10309	15.6
122.09647	2.9
136.35735	2.5
148.84084	2.7
163.03987	2.9
164.07059	11.3
168.09924	3.6
168.61110	2.8
228.14008	2.7
246.04942	3.1
259.00037	3.0
338.15091	5.3
358.62585	3.0
364.12909	13.6
365.13641	10.6
468.15582	4.7
484.18829	15.3
486.16528	6.6
502.19617	16.5
528.17737	57.7
714.23151	3.2
795.38470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5961
Annotation	CHEBI:86248
Peak:m/z	Relative Intensity
67.75339	0.5
67.77766	0.6
69.07072	2.6
79.05490	0.9
88.03191	0.6
94.21057	0.6
96.08135	24.3
96.08768	0.9
113.10777	11.2
114.09171	100.0
115.07553	2.2
132.10214	1.1
208.18112	4.3
209.16486	47.5
210.14937	2.3
216.51524	0.7
226.19133	16.5
227.12750	0.7
227.17546	12.8
228.15944	33.4
245.18684	4.0
267.69214	0.7
293.02832	0.6
321.26578	3.4
322.24896	31.2
323.23245	0.6
328.32550	0.7
339.27576	10.4
340.26041	3.9
341.24277	13.0
358.27054	1.2
367.57599	0.6
393.52145	0.6
400.79129	0.6
434.34973	3.2
435.33209	7.5
452.35776	5.5
453.34348	2.5
454.32785	2.3
504.20654	0.5
547.43475	1.0
548.41547	2.6
565.44489	1.4
639.39630	0.6
661.49725	1.3
679.51117	1.1
774.58398	1.4
792.59540	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92487	0.2
68.70802	0.2
69.03426	0.4
72.08167	2.2
78.15681	0.2
85.02909	3.8
88.63635	0.2
89.03915	0.2
89.10785	1.2
91.03985	0.2
94.30939	0.2
97.02910	1.3
98.06029	0.2
99.04445	0.2
114.85049	0.2
115.08760	0.2
117.03398	0.3
127.03925	1.3
135.04393	1.4
145.02858	2.5
145.04956	2.2
149.91220	0.2
159.83122	0.2
163.03899	100.0
169.38538	0.2
185.76318	0.2
234.11176	1.6
251.13875	1.0
396.16342	0.6
413.19180	47.1
729.32446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04566	0.4
58.22735	0.2
62.60899	0.2
69.31255	0.2
75.06899	0.2
84.05638	52.6
88.70420	0.2
100.29766	0.2
113.80769	0.2
170.69867	0.2
208.14491	4.7
226.15508	100.0
595.83276	0.2
710.06470	0.3
749.03223	0.2
783.15002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04562	0.4
84.05631	50.7
86.34328	0.3
105.74081	0.3
176.19049	0.3
185.73570	0.3
208.14433	5.0
226.15495	100.0
227.15904	0.5
282.31342	0.3
438.68997	0.4
511.05087	0.3
798.84259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06576	0.4
64.66977	0.3
70.03060	0.2
70.06576	0.5
70.80267	0.3
71.00845	0.2
72.08121	0.4
75.84114	0.3
76.20684	0.2
84.08146	0.5
85.02878	0.3
85.94905	0.2
87.82224	0.3
98.97575	0.6
138.11993	0.3
141.96623	0.3
144.08093	29.0
145.08896	0.5
158.09679	1.8
159.10501	0.4
170.09647	100.0
171.10423	20.3
187.12309	0.5
201.13889	3.8
202.14642	9.5
219.01758	0.5
222.41344	0.3
238.16035	0.3
329.12814	0.5
347.13907	1.4
371.14032	0.3
415.12915	0.4
431.15860	0.4
569.37903	0.4
791.39636	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	791.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
84.43835	3.3
87.38324	4.0
137.05978	41.7
142.65085	4.6
144.08099	100.0
163.07594	4.8
167.72183	4.2
170.09654	91.1
171.10403	7.1
175.07558	39.7
186.09129	4.8
188.13162	16.9
233.76526	3.6
287.17526	23.9
301.61218	5.1
339.70538	4.1
532.25104	4.3
672.66302	4.4
791.37451	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91468	0.8
60.13372	0.8
70.75533	0.8
91.05465	1.4
103.05478	1.2
119.08562	4.4
131.04915	10.4
131.07195	1.0
132.05711	1.5
137.05981	64.0
139.47247	1.1
144.08089	3.8
147.08073	6.7
154.59911	0.8
163.07515	25.1
163.08746	1.4
168.53378	0.9
169.06358	0.9
170.09637	1.7
175.07544	100.0
189.09035	1.0
201.09113	1.7
230.11690	0.9
256.13211	9.2
287.17615	4.5
325.14377	14.5
343.15363	15.3
395.31900	1.0
449.23041	1.2
469.05258	1.1
626.06128	0.9
791.37402	20.5
811.91547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16511	0.8
60.71703	1.0
61.71197	1.0
65.07935	1.0
69.05388	0.8
69.22667	0.8
70.06609	0.8
72.08142	1.3
93.00734	0.9
97.57825	0.9
107.04897	1.1
116.23988	1.0
144.08099	25.7
163.03841	1.4
170.09641	100.0
171.10431	17.9
201.13918	4.7
202.14671	6.5
212.40642	1.1
371.53729	1.0
791.33759	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	791.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08158	10.4
89.03886	0.2
89.10792	10.0
94.15282	0.3
98.06046	0.6
115.08660	1.1
117.03389	1.1
145.02843	15.1
145.03979	0.5
177.05461	100.0
179.69585	0.3
201.70522	0.3
248.12805	4.2
265.15448	49.6
300.28104	0.3
341.07034	0.3
422.08899	0.3
551.14008	0.5
582.25079	0.3
752.86041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	0.8
70.06593	2.8
73.75012	0.7
88.79642	0.5
102.97007	0.6
129.10226	0.8
144.08092	27.5
158.09645	2.2
167.57193	0.7
170.09650	100.0
171.10417	15.3
201.13882	5.1
202.14645	5.2
212.33173	0.6
215.04050	0.7
216.68007	0.6
374.09610	0.6
504.38937	0.6
650.43188	0.8
763.13391	0.8
791.33838	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	791.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51746	0.3
62.37812	0.2
72.08144	4.2
77.03397	0.3
89.10787	4.5
98.06054	0.6
110.76118	0.3
115.08721	1.2
117.03398	0.4
117.76906	0.3
122.56487	0.3
145.02832	10.8
149.05978	0.3
163.03897	0.4
177.05464	100.0
180.27933	0.3
248.12799	7.1
250.13193	0.3
265.15457	47.0
276.61105	0.3
592.85333	0.3
728.84125	0.3
808.69971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82311	1.7
67.04349	1.8
69.07050	2.2
73.72636	1.7
83.55479	1.8
95.04968	3.1
96.08142	34.9
112.07602	3.5
113.10748	7.7
114.09176	100.0
114.16078	1.9
137.06036	2.3
144.08099	3.3
158.79918	1.9
167.07047	2.9
170.09694	4.6
189.13954	3.8
190.12189	2.4
207.14893	3.5
208.13339	15.3
208.18166	2.1
209.16490	32.8
226.19179	12.6
227.17520	12.7
228.15999	37.8
245.18680	2.6
320.23422	3.3
321.22287	2.1
322.24973	11.4
339.27527	2.7
340.25967	2.7
341.24350	14.6
352.64240	2.3
433.31189	2.3
435.33334	2.3
790.35040	7.4
790.57996	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.4
57.03440	2.5
61.02937	2.6
69.03444	33.3
70.06561	1.7
71.04992	3.2
73.02915	6.7
81.03436	26.9
85.02914	100.0
85.03426	3.9
87.00832	26.8
97.02911	31.3
99.04455	21.8
105.01883	45.3
109.02895	41.4
121.28191	1.7
127.03917	85.0
129.01848	3.4
144.06564	1.9
145.04979	27.5
147.02896	2.4
159.02879	21.9
208.46367	1.9
213.03975	3.6
220.09718	4.1
231.04947	31.1
246.11543	1.9
249.05981	13.8
252.60397	1.9
283.89047	1.9
300.41431	2.0
316.19043	2.7
375.09256	2.5
393.10236	3.4
428.14069	3.8
442.30313	1.8
562.05243	2.1
592.25043	2.0
707.89508	2.2
789.32916	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	788.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	18.7
59.98864	14.8
60.19992	17.1
62.82986	17.3
62.83289	23.1
71.08643	20.8
87.04439	20.2
89.06026	100.0
128.15764	16.6
131.46661	18.5
133.08632	19.9
148.25618	17.7
150.55161	20.1
263.59167	19.6
439.62549	18.8
660.33667	20.6
788.60785	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	789.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	1.0
72.08156	0.4
79.87894	0.2
82.57845	0.2
85.50858	0.2
99.73370	0.2
103.40543	0.2
130.06468	0.3
133.06474	1.2
141.35506	0.2
144.08092	30.2
145.08885	1.0
150.18028	0.2
158.09651	1.7
160.86844	0.2
161.05975	1.8
170.09647	100.0
171.10426	19.8
174.11501	0.4
186.11511	0.5
187.12337	0.9
187.48682	0.3
193.08658	0.5
196.11319	0.3
198.09187	0.5
201.13863	5.3
202.14661	11.7
224.10815	0.3
262.98694	0.2
299.44351	0.2
392.59503	0.3
579.39301	0.3
585.20367	0.3
597.26459	2.1
613.27380	0.5
659.26392	0.3
735.98181	0.3
789.30695	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	788.313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44978	0.9
61.10890	1.3
62.74141	1.1
69.03441	2.8
69.27550	1.2
70.06596	1.7
73.02924	38.8
81.03462	1.4
83.85202	1.1
85.02915	5.4
86.09696	1.4
97.02898	1.9
99.04462	1.5
109.02814	1.9
117.62003	1.0
131.04953	1.6
133.24390	1.1
137.05995	8.9
149.06001	1.8
151.03926	5.3
163.03918	6.7
163.07538	2.5
177.05533	4.3
181.04973	23.1
189.05548	4.3
193.05016	1.2
195.06532	19.2
205.08717	1.3
207.06596	8.2
225.07620	5.5
240.75064	1.3
283.09659	18.7
284.10852	1.3
294.46466	1.1
309.11331	4.2
311.09103	30.3
325.10730	11.2
337.10666	11.3
355.11871	6.8
459.14215	9.2
477.15689	1.5
487.14096	18.1
496.60471	1.4
505.14880	34.2
523.16046	33.8
567.18738	7.3
591.23065	1.2
626.26025	1.9
629.92395	1.2
653.42786	1.2
729.24127	2.7
788.31250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3653
Annotation	RA IV
Peak:m/z	Relative Intensity
65.26867	0.9
67.43677	1.0
111.66446	1.1
122.50926	1.0
131.04985	1.1
139.57066	1.0
144.08078	31.9
154.06857	1.1
158.09666	1.9
170.09653	100.0
171.10429	23.0
201.13893	5.2
202.14703	14.5
301.19238	1.3
634.95032	1.1
787.36316	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40837	2.9
63.75043	3.1
70.06595	3.9
72.08164	28.8
84.04501	20.4
84.05605	3.2
86.99989	2.4
88.77822	3.1
96.04529	3.6
98.06033	4.4
101.07140	7.3
101.83987	3.8
114.10300	13.9
116.07056	3.5
120.31570	3.1
126.05494	16.1
130.77249	2.8
131.12941	6.4
138.05521	71.3
144.06555	17.7
156.06543	5.3
162.10486	3.0
163.03912	3.7
167.08205	5.1
168.06541	26.8
182.12961	6.5
183.11302	7.0
186.07664	29.0
195.07697	5.7
200.10327	6.6
201.08759	20.6
208.10835	12.5
221.09224	4.9
225.13495	19.4
249.08798	5.2
258.09726	5.3
284.12357	5.7
293.16156	3.3
301.13989	28.8
336.16483	3.2
540.97443	3.2
581.70361	3.7
787.26349	5.5
787.39502	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22641	0.2
58.06587	0.9
70.06590	0.9
70.61566	0.2
72.08137	0.4
84.08139	0.2
84.89169	0.2
128.21400	0.2
136.83238	0.2
144.08096	29.8
145.08864	1.3
158.09601	1.6
159.10391	0.3
163.03865	0.4
170.09653	100.0
171.10429	20.0
178.82069	0.2
186.11546	0.3
187.12292	0.9
201.13902	3.7
202.14668	8.6
220.09706	0.3
292.80478	0.2
341.17715	0.3
399.66815	0.2
682.23737	0.3
787.32867	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	787.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.7
82.35046	0.4
144.08099	26.7
145.08788	0.7
170.09653	100.0
171.10437	37.9
177.05525	2.2
201.13878	3.9
202.14661	69.8
265.15665	0.7
301.19119	33.2
787.34985	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	785.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67038	0.2
84.05637	40.3
95.08591	0.3
95.78310	0.2
96.05588	0.3
110.07167	1.0
116.88313	0.2
168.07753	0.3
178.13408	2.7
179.59282	0.2
182.11798	0.3
187.49934	0.2
194.47554	0.3
206.12891	0.9
224.13945	31.7
229.33165	0.2
242.15001	100.0
334.24475	0.2
618.12543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07089	21.3
60.49635	11.5
76.84448	11.7
85.06551	28.5
107.49507	13.0
121.27248	14.7
181.01572	13.3
222.46664	13.4
237.00720	14.5
376.82260	13.7
405.22903	13.5
412.59140	12.8
417.72037	15.8
627.20093	16.9
785.39514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57985	1.3
60.79867	1.1
65.77778	1.4
66.63512	1.4
86.09709	100.0
86.10239	3.4
91.22182	1.4
92.31106	1.8
112.11263	2.8
116.84847	1.5
120.08098	40.2
137.29617	1.5
154.15916	22.4
157.13347	18.6
185.12845	33.6
188.14375	7.4
199.18065	41.7
219.11162	1.9
225.19574	16.9
227.17532	35.1
233.16469	32.0
253.19073	20.5
259.17969	2.7
261.16000	36.0
267.24292	17.6
287.17578	8.4
295.23779	10.3
298.21173	13.7
301.22736	17.8
322.24875	2.0
329.22244	10.8
332.19574	14.2
340.05725	1.5
356.23044	1.8
366.27856	2.9
374.24307	3.5
400.25940	6.4
445.27692	1.9
524.37805	2.6
532.35583	1.6
558.36005	2.1
570.69031	1.5
626.42529	1.8
647.12408	1.7
671.44757	17.1
739.51178	2.4
756.53259	8.2
771.33313	1.5
784.53296	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00867	2.9
58.13465	2.5
65.67091	2.9
67.05502	3.3
68.47267	2.6
68.53055	2.3
69.07071	5.4
69.93555	2.4
80.75665	2.3
81.07088	2.9
83.04986	4.1
85.02889	15.0
87.00822	4.2
95.08597	13.3
97.02866	5.2
99.08152	3.0
105.01881	5.1
107.08600	5.7
109.02891	3.8
109.10184	51.2
119.08629	24.0
121.10099	9.0
123.08065	11.5
123.11708	3.5
127.03929	12.1
132.82939	2.6
133.10152	15.2
135.11707	74.4
137.09621	5.9
149.13254	3.0
151.14832	10.7
153.12732	3.3
175.14828	33.7
193.15848	37.7
211.16940	100.0
221.07947	3.2
288.09454	3.1
323.55637	2.9
459.22079	34.5
558.93958	2.8
563.92572	4.0
641.05988	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	783.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06598	1.8
70.10130	1.5
71.89207	1.5
72.08155	1.8
83.20015	2.0
86.70211	1.8
89.58818	1.6
99.21712	1.7
117.45103	1.7
124.07570	2.6
135.98042	2.0
147.04396	3.3
164.07077	3.5
294.74765	1.7
362.19034	3.8
380.19714	7.9
391.13013	6.7
404.16165	10.2
405.18283	2.2
406.12323	2.3
406.17615	56.9
447.15366	2.6
448.16537	8.2
449.17035	19.2
452.18237	6.8
508.22626	2.0
526.23724	1.9
544.24976	2.0
552.20795	3.4
554.22748	3.0
570.22345	26.3
572.24371	6.0
616.23224	19.6
646.23834	10.0
753.31506	6.4
783.32349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.7
75.14774	0.2
81.46883	0.2
144.08093	30.1
145.08847	0.8
158.09676	2.2
170.09650	100.0
171.10423	21.1
186.11620	0.3
187.12305	0.9
201.13879	6.6
202.14661	11.2
221.25966	0.2
234.77133	0.2
310.29413	0.2
441.26691	1.0
510.55884	0.2
510.63403	0.2
641.17072	0.2
776.56396	0.2
781.34454	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18010	1.2
70.06567	1.6
81.86967	1.6
95.01070	3.5
96.01880	2.7
103.95818	1.3
112.01392	1.8
113.02131	5.7
131.18210	1.3
134.81927	1.6
161.05983	2.8
167.07109	5.6
185.04224	16.7
189.05275	8.7
193.08534	3.1
212.10075	1.3
215.06871	2.6
216.07639	7.8
217.08386	30.7
226.79283	1.4
231.31700	1.4
246.03012	1.5
246.05035	12.0
348.12018	1.5
348.37842	1.4
379.13681	71.0
395.13095	10.2
397.14896	1.6
619.20068	5.8
775.76080	1.5
781.25208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36782	0.2
57.04583	0.3
59.30852	0.2
60.05651	0.3
70.04990	0.2
72.31707	0.2
83.11695	0.2
84.05633	53.6
108.24712	0.2
208.14485	4.7
226.15497	100.0
276.22687	0.3
327.98416	0.3
507.37662	0.3
534.97968	0.3
725.59076	0.3
797.81384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06834	4.9
57.07085	93.8
61.71676	3.5
67.04592	3.0
69.03442	6.7
70.72939	3.0
72.51836	4.0
74.08817	3.0
74.95747	3.2
85.06546	100.0
102.30642	3.5
109.02885	5.2
127.03915	36.8
205.81993	3.5
211.09604	6.7
229.10718	16.7
313.16367	47.1
326.28250	3.4
331.17505	28.4
372.85910	3.9
415.23276	17.1
518.27954	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	779.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
78.37041	5.2
81.07069	4.8
81.61967	4.5
97.02924	6.0
114.63500	6.2
119.66552	4.9
119.81709	4.8
283.14731	5.8
372.98251	5.5
501.23114	8.5
519.29626	9.1
676.91510	5.5
737.36743	6.0
779.45325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47030	1.8
57.28408	2.2
70.06593	15.2
72.08167	3.9
80.97324	2.1
84.08128	3.8
94.99687	2.2
127.47873	2.5
133.02826	4.9
147.88719	2.5
153.05460	18.2
155.11774	2.2
161.05994	2.5
163.03899	5.2
180.00233	2.5
180.02866	2.3
196.51801	2.4
203.07019	2.6
225.09119	3.6
250.63480	2.3
253.08604	20.6
281.08215	5.5
284.10608	2.8
285.11139	9.1
295.09674	9.6
299.12729	3.4
313.10651	75.7
314.46725	2.5
323.09030	4.0
324.09802	2.6
325.11127	2.5
327.12314	35.8
341.10318	19.1
342.11029	3.1
345.13284	3.1
353.10083	3.0
355.11859	21.2
357.13345	3.4
373.12817	100.0
375.14679	3.3
385.12814	34.6
403.13858	50.8
523.19678	4.4
572.71381	2.5
593.45807	2.4
790.77374	2.7
790.93823	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	779.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06599	25.3
72.08162	20.9
84.08147	8.8
85.02885	6.7
86.09708	68.2
92.75341	4.8
112.07610	18.0
115.24554	4.7
120.08109	5.6
134.06013	17.5
136.07550	22.8
141.10243	24.3
142.36876	4.9
144.08073	11.3
145.13034	5.5
152.14305	7.6
160.07680	5.1
167.07053	5.0
170.09639	54.1
171.10439	5.6
173.09602	5.9
182.08257	5.3
197.16519	22.6
202.12280	48.6
208.98051	4.7
219.14955	32.1
228.10178	9.7
230.11783	6.2
238.15509	5.2
247.56697	4.9
251.13965	5.5
254.15460	7.3
270.18762	6.2
282.14816	8.3
299.17514	18.0
302.21960	4.2
305.18710	6.0
315.20740	7.3
327.16931	6.8
332.19794	5.7
332.23294	40.5
457.28113	30.1
485.27505	23.2
598.35498	29.8
779.43604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06582	2.7
58.32118	0.3
61.92284	0.4
69.04612	0.4
70.06595	2.9
70.38424	0.4
72.08163	10.3
79.71799	0.4
84.04475	1.9
84.08123	2.4
98.06049	0.6
99.06860	0.4
100.07635	5.0
107.19958	0.4
110.06030	0.6
112.11217	2.7
123.04415	12.2
129.13896	0.5
130.05028	3.1
136.07587	0.4
137.05981	0.4
145.02792	0.6
145.06056	0.5
155.01610	0.8
155.08138	2.3
155.11760	1.6
163.03903	6.2
164.04343	0.7
165.05473	15.2
170.08121	0.7
175.17464	0.4
179.01579	1.6
181.06055	2.3
195.01080	1.5
197.02631	3.3
217.56496	0.4
219.08926	0.6
220.09660	6.2
221.02722	1.8
221.10097	2.6
221.12831	0.7
222.11252	100.0
236.12837	5.5
237.06895	0.7
251.13907	0.8
252.06874	5.7
254.08449	34.6
266.08517	1.0
268.10004	3.2
270.09982	0.5
271.11139	0.6
278.08344	3.4
281.06006	0.5
292.09967	1.6
293.18616	2.7
295.11096	0.5
310.21204	1.6
325.15936	1.0
325.61368	0.4
336.07367	0.4
341.11707	0.7
342.18207	1.6
362.14127	0.4
380.73642	0.4
381.11258	0.9
398.13809	4.4
450.49484	0.4
488.22177	1.0
489.20282	0.9
504.21564	0.5
506.23300	7.0
650.28522	6.6
761.31384	2.1
779.32684	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04572	0.3
60.05666	0.2
66.59629	0.1
84.05634	53.7
121.50472	0.2
127.03924	0.3
193.08603	0.2
196.17973	0.2
208.14461	4.7
209.92351	0.2
226.15501	100.0
230.13779	0.2
379.76080	0.2
391.80338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83389	1.4
65.82426	1.6
70.06590	2.1
72.08191	2.0
75.32597	1.7
80.40694	1.6
83.14117	1.7
96.09438	1.7
107.04967	15.6
121.06569	1.7
131.04938	8.5
133.06458	1.9
137.05962	2.5
139.59889	1.7
142.00758	1.6
149.05984	3.0
151.07556	8.1
153.05496	8.8
155.07016	1.7
161.05974	20.7
163.07532	15.8
167.05612	3.7
167.07024	100.0
168.07372	3.4
175.07567	16.2
179.07022	61.7
191.07033	38.8
203.07030	23.1
205.08589	14.6
209.08075	55.2
209.09996	2.3
211.09650	2.5
221.08081	34.8
233.08177	4.3
235.07648	2.5
237.09135	2.5
247.07367	2.2
263.07031	2.8
265.08557	3.3
267.10114	4.3
277.08621	3.4
283.09644	13.8
291.10266	2.8
293.08017	2.2
295.09729	20.8
297.11206	9.1
305.08105	2.5
307.09680	8.6
313.10846	3.8
314.11578	2.7
315.12323	20.2
319.09518	3.5
323.09143	25.2
324.09793	4.0
325.10800	15.7
327.12302	19.7
336.10001	2.3
337.10724	16.1
339.12323	7.1
342.11017	2.2
343.11661	2.0
345.13425	2.8
349.11130	2.7
351.12341	13.5
355.11771	19.7
356.12448	2.2
357.13367	35.8
361.12979	22.9
363.12387	8.5
369.13382	6.9
375.14481	48.1
379.11786	12.1
381.13708	3.0
385.12839	2.3
387.14392	60.2
393.13327	7.2
397.12747	2.1
399.14780	2.8
405.13620	2.5
411.14264	20.7
453.15186	2.1
480.02643	2.0
547.19525	3.4
552.31970	1.8
571.19586	11.1
589.20880	24.0
595.21796	2.3
607.21692	29.5
619.88995	2.5
692.47052	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	778.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05493	2.8
85.01330	2.3
95.04956	2.2
107.04987	15.3
125.05939	4.3
145.95218	1.9
149.05948	2.5
153.05487	12.0
161.05942	3.3
167.07040	100.0
175.07536	3.2
179.06995	3.3
181.04970	44.7
181.08557	2.7
182.05887	2.5
185.06058	2.7
191.07030	3.8
197.08107	31.2
201.05464	10.4
203.07074	8.0
207.06633	2.2
209.08081	4.6
213.05571	3.7
217.08600	16.3
219.06462	9.7
230.71436	1.8
233.08020	3.7
235.09673	12.4
241.08505	6.4
245.08098	10.3
248.08261	4.0
251.09004	3.3
261.09015	8.7
264.07831	8.2
269.08044	2.5
275.07175	2.2
276.07806	2.8
277.10950	3.2
278.09183	2.1
279.10147	8.3
286.08319	2.5
288.07712	2.2
289.08652	3.0
291.06677	3.1
291.10068	3.9
292.07010	2.5
293.08295	2.5
306.08813	10.9
307.09631	13.0
308.10376	8.9
311.12906	2.7
321.11102	4.5
323.09116	3.0
329.10187	17.1
334.08578	3.2
335.09302	7.4
336.10046	2.6
337.10574	3.7
338.11414	2.4
339.12241	3.9
349.10544	16.8
350.11792	2.7
353.10104	3.3
365.00812	2.5
367.11807	19.6
368.12424	4.0
369.13177	3.1
381.13370	12.0
383.14890	7.4
395.90610	2.2
399.14380	94.1
401.16031	3.7
431.17023	50.4
441.15448	67.6
459.16422	13.7
499.10193	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	778.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	0.6
79.05478	0.9
81.03403	3.1
81.63585	0.5
85.02927	4.7
96.37995	0.5
107.04956	10.5
117.07033	2.3
119.71666	0.6
131.08540	2.2
137.05916	0.6
137.47435	0.5
144.05647	0.7
145.04890	1.0
145.06493	7.3
147.04420	0.5
157.06468	0.9
159.08076	5.5
163.03908	0.6
167.07036	41.1
169.06462	0.8
173.05980	29.4
175.07565	0.7
177.05589	0.5
180.08708	0.6
181.05051	0.8
181.08601	1.0
186.06709	0.8
187.07535	6.7
190.06247	9.0
191.07068	2.2
193.08566	1.1
195.06580	0.6
200.08308	0.8
201.09195	0.8
203.06987	2.4
204.07924	0.7
205.08614	31.2
207.06487	2.0
207.10201	1.1
209.07993	0.9
211.07497	0.7
215.06999	0.5
217.08594	31.1
219.08015	1.8
219.10178	4.5
229.08546	5.4
231.07996	2.1
231.10172	1.2
233.09541	2.1
235.09511	6.1
236.08281	0.7
245.09656	1.0
247.07480	3.7
247.09660	6.5
248.08292	4.2
251.10683	2.3
253.69582	0.6
259.07605	1.1
261.09100	2.4
262.09869	2.3
263.10669	6.6
264.07788	3.4
265.10706	23.0
271.09647	4.6
275.07074	1.2
276.07889	3.1
277.08441	1.1
279.10132	7.8
290.09363	2.6
291.10144	9.2
292.07150	2.0
292.10495	0.6
293.08057	2.2
293.11533	0.6
296.10461	1.2
299.09192	2.0
304.07278	0.6
305.08112	0.9
305.11578	0.6
307.09677	6.1
308.10480	6.5
311.12805	2.8
315.08606	17.4
318.08884	1.1
319.09570	3.5
321.07675	1.0
321.11221	0.9
322.12045	0.6
323.12753	5.4
325.10614	0.8
326.11490	0.6
328.09454	0.6
330.10974	31.1
331.11975	1.0
335.09091	1.1
336.09894	5.2
337.10583	4.6
338.11478	0.8
339.12228	4.0
340.12720	0.6
343.11703	6.6
350.11453	2.7
351.12289	7.7
352.13077	1.1
353.10083	6.0
356.12494	2.6
368.12589	11.5
369.13300	6.0
371.14932	2.6
383.14880	49.2
385.16400	3.0
401.15942	100.0
419.17111	2.5
467.82065	0.5
577.38177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47905	0.1
64.96815	0.1
69.03432	0.2
70.38906	0.1
79.05495	0.1
81.03413	0.1
81.38138	0.1
85.02908	1.2
90.29176	0.1
97.02888	0.5
105.07029	0.1
107.04947	0.5
109.02935	0.2
123.04401	0.5
124.05199	0.1
127.03942	0.3
133.06490	0.4
137.05968	0.1
147.08209	0.1
149.05937	0.7
152.04637	0.3
161.05940	0.7
167.07031	100.0
173.06006	0.1
175.07613	0.1
177.05466	0.1
179.06992	0.4
180.08719	0.1
181.08569	1.3
187.91164	0.1
193.06833	0.2
193.08597	5.6
200.12929	0.1
207.10153	0.1
209.08096	0.5
211.09650	25.0
227.09146	1.1
292.08325	0.1
295.11673	0.2
319.11807	0.1
337.12939	0.2
355.14023	0.1
373.15155	0.1
437.17953	1.2
448.76080	0.1
561.33179	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	777.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26150	1.9
66.02705	3.0
92.17768	2.6
102.13232	2.4
111.83273	2.5
119.02008	2.3
119.08567	4.1
123.30532	2.6
127.93092	2.3
131.04945	11.2
137.05974	71.1
137.06966	3.5
147.08078	4.0
163.07550	25.2
174.11502	3.0
175.07558	100.0
215.03777	2.6
242.11758	5.1
273.15948	4.5
325.14172	5.5
339.71207	2.4
343.15457	14.1
777.35895	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	776.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	18.7
60.45805	7.3
63.97176	7.5
64.89014	8.3
69.03104	7.1
70.57733	6.9
71.08614	12.1
72.89425	7.8
73.06564	8.5
78.73954	7.1
85.10190	15.5
86.60710	7.7
89.06030	100.0
133.08627	12.6
177.11223	10.9
399.02698	8.6
776.58014	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	777.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55933	0.4
58.06573	2.0
70.06588	5.1
72.07815	0.4
72.08161	8.2
84.04515	0.6
84.08145	3.6
86.09520	0.5
98.06051	0.8
109.07632	0.5
112.11250	6.4
115.08669	0.5
129.06638	0.6
129.13853	2.2
130.04988	2.0
130.37692	0.5
135.04408	2.1
136.03966	0.5
140.50409	0.4
145.02815	2.8
145.06044	0.6
155.08168	0.9
155.11816	5.2
163.03899	64.2
163.13748	0.4
172.14420	2.1
179.01317	0.5
181.06029	2.1
195.01181	0.6
197.02528	0.7
199.07175	0.7
211.07112	0.5
219.11371	0.6
220.09686	100.0
221.02649	0.7
237.06862	0.7
256.09280	0.5
266.08472	1.1
268.09985	7.1
285.12677	2.4
291.16986	1.0
292.10132	2.0
297.12820	0.7
322.15829	0.5
323.14297	0.6
324.17441	0.8
325.15778	11.0
340.17041	0.6
342.18469	23.7
366.18570	0.7
469.21326	1.7
486.24469	3.4
487.18735	0.6
504.21570	5.6
507.66446	0.6
598.58600	0.5
613.73145	0.5
648.27087	9.1
651.94049	0.6
652.05475	0.5
663.57190	0.5
735.81738	0.6
759.30170	2.6
777.31189	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.4
55.71946	0.2
57.26825	0.2
58.06595	0.2
70.06601	2.4
71.50340	0.2
72.08158	0.4
78.71697	0.2
84.08153	1.0
85.08923	4.3
91.80050	0.3
92.17817	0.5
100.11264	100.0
102.99310	0.2
112.61620	0.2
155.08278	0.3
163.03862	0.2
167.07040	0.3
352.14850	0.3
404.25439	8.2
436.21799	0.3
528.30261	0.3
776.36163	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	775.6562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84893	0.5
57.03446	0.9
58.06609	6.5
59.07388	0.9
60.08169	2.5
63.46952	0.7
68.19930	0.5
81.07061	0.9
81.31576	0.6
84.29328	0.6
87.04498	0.9
101.51794	0.6
108.35442	0.7
108.96508	0.6
144.10190	8.3
162.11302	3.1
168.97427	0.7
218.13863	0.7
221.64233	0.6
236.14929	100.0
237.35822	0.7
436.37714	0.8
480.36798	7.0
498.37863	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	776.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89133	0.1
59.37655	0.1
69.03400	0.2
78.57484	0.2
81.03428	0.2
85.02902	1.2
97.02893	0.4
107.04959	0.8
109.79391	0.2
118.58908	0.1
121.06490	0.2
123.04434	0.4
127.03846	0.2
133.06456	0.1
149.05980	0.9
152.04616	0.2
161.05959	0.4
167.07037	100.0
175.01509	0.2
179.07018	0.2
181.08591	0.9
193.08606	5.4
207.06621	0.2
211.09659	26.9
225.07494	1.2
337.12903	0.2
417.15353	0.2
693.21252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17757	0.7
58.13100	0.7
70.06598	1.3
72.08141	1.0
120.08105	1.9
132.08083	1.1
144.08092	44.0
145.08879	7.5
157.08868	100.0
158.09662	5.0
159.09207	8.6
163.03787	1.1
170.09682	4.4
172.09958	5.6
173.10730	4.9
186.09106	1.5
187.12321	1.3
201.13916	4.5
218.04488	6.6
221.06833	1.0
236.05498	6.0
246.07603	3.7
249.06297	1.1
250.07199	1.2
274.07236	1.0
291.12537	21.3
322.16791	8.9
351.13651	1.0
361.11743	10.8
376.11731	1.0
379.12909	24.9
393.14395	1.1
424.15500	1.0
586.20721	1.7
645.21875	1.8
676.26410	9.1
716.19159	0.9
775.30688	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	775.329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	1.0
65.26624	0.3
70.06574	0.5
85.03750	0.4
92.18411	0.6
93.16471	0.5
97.48856	0.4
114.09126	0.4
116.90050	0.4
129.80484	0.4
144.08084	27.7
145.08852	0.8
158.09639	1.7
167.07034	0.4
170.09637	100.0
171.10422	18.7
186.09102	0.8
187.12238	1.0
201.13847	5.3
202.14629	7.7
206.76022	0.5
456.74966	0.5
512.05743	0.5
607.28699	0.6
775.32825	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73749	2.3
60.23077	2.0
68.52679	2.1
69.11057	2.1
70.06588	22.8
70.97993	2.1
72.08163	28.1
84.04503	4.9
84.08160	5.3
84.65999	2.4
86.06087	2.6
92.17868	4.2
98.06056	2.4
101.07141	4.1
109.07636	4.5
110.09702	3.7
112.11243	3.8
113.07126	11.7
129.06654	2.3
129.13914	2.5
130.05043	3.7
145.02887	2.7
145.06160	2.4
155.08173	14.4
155.11801	74.0
161.10513	2.0
163.03922	46.5
172.14424	26.6
176.27779	2.5
181.06102	5.2
190.08589	4.2
198.12431	3.1
219.08922	14.2
220.09688	100.0
291.16992	5.1
340.17007	2.6
502.19839	16.4
646.25690	31.6
726.38013	2.8
775.29608	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18576	0.7
69.03433	1.1
70.06590	1.8
72.08167	1.7
81.03436	1.0
85.02895	5.1
91.05491	1.5
91.62121	0.9
97.02886	1.2
100.11258	1.3
101.50097	0.9
102.37659	0.7
107.04960	1.0
109.33404	0.7
117.06995	3.3
119.04939	4.3
123.04441	1.5
137.05984	5.9
145.06534	10.6
147.04414	6.9
147.07930	0.9
155.06079	0.9
165.05446	1.5
167.07045	100.0
171.06560	1.2
173.05983	29.4
173.07114	1.1
175.07518	1.8
179.07053	1.4
181.04964	67.8
203.07050	4.8
205.08548	9.4
219.06467	1.1
222.79462	0.8
231.06639	0.9
233.08156	5.0
235.09662	4.9
265.08560	1.2
293.08099	1.1
297.11194	1.8
306.40765	0.8
308.13406	0.9
310.08524	1.2
325.10834	1.5
326.11566	1.3
342.11002	0.9
351.36502	1.0
353.10117	1.0
357.13406	7.7
385.12875	9.1
387.14340	0.8
417.15588	1.7
613.22662	10.7
775.27881	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.4
57.03442	8.3
67.05173	2.5
67.05515	34.3
69.03409	2.0
69.07069	3.5
77.11388	1.9
79.05515	19.5
81.03426	49.9
81.07078	35.4
83.08631	21.3
84.86453	2.2
91.05484	13.4
93.07047	26.2
95.04990	17.2
95.08607	24.1
97.06541	3.4
97.10168	3.5
103.17301	2.0
105.07027	12.4
107.04971	8.5
107.08605	19.6
109.06505	2.6
109.10194	16.9
111.08060	8.5
117.07053	3.7
119.08584	18.4
121.10151	20.8
123.11699	7.7
124.31398	2.1
129.07004	3.9
131.08569	12.5
133.10117	12.2
135.11679	9.9
145.10150	10.1
147.11687	11.5
149.09622	4.9
149.13264	2.8
157.10132	10.4
159.11787	8.1
161.13266	3.3
163.78610	2.8
173.13287	5.0
175.11137	10.8
193.12228	21.4
205.02170	2.3
227.12640	2.4
261.22141	9.6
267.15903	52.7
301.25305	2.5
335.25775	33.9
350.14087	2.3
360.92166	2.5
453.33432	2.7
527.37378	54.0
545.38434	100.0
577.40900	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	773.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03447	3.4
58.06609	1.2
61.02937	6.8
69.03434	15.1
71.04989	1.4
73.02914	1.5
81.03425	4.7
85.02911	98.9
87.04456	1.0
91.03977	3.6
97.02896	31.5
99.04466	4.1
109.02898	13.5
115.03956	1.0
127.03932	23.1
131.07309	17.1
132.08154	1.8
134.38760	0.8
144.08080	7.2
145.04968	21.9
145.08899	7.6
157.08913	6.3
158.09644	1.2
163.06044	5.4
171.33798	0.9
182.09674	3.2
183.10374	6.2
184.11261	1.9
197.08427	5.5
210.12708	8.4
212.10736	13.6
212.14270	1.4
226.12346	1.5
230.11774	55.7
238.12357	1.1
238.90906	0.9
244.13293	8.4
256.13312	100.0
281.19260	0.9
287.17554	35.9
287.20642	1.6
289.09482	1.0
325.11288	8.1
546.20435	0.8
773.33484	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57565	0.6
70.06602	0.7
84.04504	0.9
85.02911	0.6
105.07024	6.5
112.64931	0.6
122.09644	4.4
128.62265	0.7
151.03911	100.0
167.07034	30.0
170.09599	0.9
182.54086	0.7
187.12326	1.2
193.08635	1.5
205.13396	4.0
211.09698	1.0
233.12849	12.1
235.20494	0.6
266.67337	0.6
341.00977	0.6
361.12726	3.4
379.13889	1.4
611.25995	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	773.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
61.02933	2.6
64.93787	0.6
66.20720	0.7
68.27557	0.7
69.03424	7.0
73.02915	0.7
75.83448	0.7
81.03439	3.0
85.02914	49.7
87.04454	0.8
91.03979	2.5
97.02898	12.5
99.04494	2.9
106.13409	0.7
109.02884	5.2
127.03915	11.5
131.07297	8.0
132.08130	1.0
144.08104	3.8
145.04979	8.9
145.08876	6.9
146.09721	0.9
157.08861	12.8
157.10033	0.7
163.06065	2.6
182.09653	1.1
183.10519	4.4
184.11221	5.8
195.10536	1.5
197.08322	4.9
210.12810	14.5
212.10719	28.9
212.14413	3.0
226.12378	4.4
230.11774	58.0
238.12325	1.5
244.13293	12.8
256.13324	100.0
287.17532	28.2
287.20560	0.9
325.11316	1.3
773.33551	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	773.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47879	0.9
58.30088	1.0
58.37164	0.9
58.57965	0.8
58.99583	2.7
61.18438	0.9
67.17999	0.9
70.06612	1.1
72.08159	4.9
81.26753	1.1
86.00658	43.7
88.11278	4.7
95.12373	1.0
103.14586	1.0
106.70470	1.2
112.55307	1.0
131.04929	2.6
132.01151	100.0
133.02866	1.3
154.28566	1.2
159.04480	1.1
163.03940	4.4
165.05495	5.4
167.07043	2.0
179.06972	8.5
180.07828	30.4
181.04980	8.2
187.03896	28.1
187.05452	1.5
191.07059	23.6
200.12820	2.3
206.05836	1.3
217.15501	4.9
235.07524	2.0
262.06323	1.9
263.07123	2.2
286.07492	2.0
290.05753	1.6
308.06796	5.0
310.07520	7.2
323.09161	4.2
341.10205	52.1
351.08661	17.3
462.12106	1.4
472.10611	14.5
521.16553	2.1
531.14972	6.0
593.12311	6.0
652.16406	2.4
773.18774	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	770.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68204	1.1
58.99593	1.5
66.42305	1.0
68.00110	1.0
76.02231	26.6
84.04512	4.0
92.17801	1.5
103.05430	1.5
105.07018	17.4
116.01661	6.6
118.04189	1.9
119.04893	1.7
120.08256	1.1
121.06541	1.4
130.05016	4.5
133.06500	19.2
134.32155	1.3
137.05968	2.0
142.03177	1.3
144.01175	2.1
149.05983	5.1
150.06775	9.4
151.07541	8.4
161.05994	4.2
162.02187	18.5
165.09137	15.4
167.07007	13.5
177.05516	1.6
179.04848	11.6
179.07083	2.6
181.08636	4.6
182.79756	1.1
193.08607	100.0
209.08122	6.0
211.09648	80.7
223.04297	5.7
233.06036	4.8
251.09048	12.9
258.59143	1.0
267.09076	1.0
293.04172	1.1
308.09094	57.2
369.11218	2.1
403.17606	5.3
547.52631	1.1
617.87933	1.1
770.28174	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	771.2657
Annotation	Ecteinascidin 770
Peak:m/z	Relative Intensity
58.06602	4.4
59.84272	2.0
60.85450	1.8
61.08418	1.6
63.20888	2.0
70.06591	8.2
72.08160	49.8
82.47952	1.9
84.08128	10.7
100.07592	3.7
102.75662	1.9
108.04484	4.4
112.11249	26.1
115.12352	2.0
124.04002	2.2
129.13875	11.5
135.61476	1.9
136.03973	30.2
140.01668	3.8
147.57288	2.7
155.11806	10.1
211.07158	9.1
245.38469	2.4
252.30998	2.1
312.03467	8.8
326.04758	4.8
328.06244	5.1
330.04715	2.7
339.05426	2.3
354.04184	4.6
354.08713	2.2
378.04111	3.1
396.05411	15.8
411.10123	2.8
414.06403	2.7
429.11258	13.0
439.92450	2.1
458.14557	2.2
469.35986	2.2
482.82291	2.2
759.23187	2.4
771.26501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58266	1.8
57.14954	2.2
63.74483	1.8
67.19944	2.1
70.71564	2.2
75.77812	2.1
116.95500	2.3
130.86258	2.3
137.05963	3.0
165.05446	3.2
181.04974	12.2
197.08116	3.4
213.09131	2.7
216.43420	1.9
226.06406	2.7
241.08614	43.1
245.37459	2.3
254.05771	2.3
257.08099	2.8
260.08258	2.4
261.09006	4.0
267.08658	3.6
268.07205	2.7
269.08102	22.7
270.08890	2.5
278.09476	8.2
283.09470	2.2
285.07602	12.3
286.08371	28.9
288.07846	3.2
297.07401	2.7
298.08337	3.0
299.05377	3.6
300.09958	13.2
301.10657	17.2
305.08020	2.4
305.18668	2.3
306.08908	11.7
314.07883	3.3
315.08698	2.7
320.10480	8.2
321.11118	17.3
329.10178	100.0
335.09125	3.2
349.10605	22.9
350.11670	2.3
351.12234	3.2
381.13358	4.2
409.12762	34.7
441.15442	21.7
448.94992	2.1
501.17526	30.7
511.96136	2.1
550.23175	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	769.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82645	1.1
69.90191	1.3
70.06580	1.9
104.07324	1.7
113.02137	2.1
118.04003	1.3
127.06838	1.2
129.34541	1.3
148.54988	1.6
161.05971	1.6
167.06995	2.0
169.57999	1.3
185.04172	10.1
189.05281	11.0
201.03804	1.5
215.06834	5.5
216.07607	6.9
217.08372	19.4
219.06300	3.0
233.07813	1.4
234.08641	33.7
235.09453	3.0
264.82166	1.5
286.13013	1.5
308.08960	1.6
348.12021	1.6
365.12146	1.7
379.13644	82.6
395.13092	9.9
409.14926	1.8
445.09116	2.0
464.82159	1.5
529.86249	1.3
532.00970	1.6
549.14703	1.8
607.23883	7.3
769.28851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
58.99586	4.0
65.03452	0.6
65.03939	3.7
72.72879	0.6
75.04475	4.8
76.02235	42.5
76.04044	1.0
78.04714	0.8
79.05467	1.3
84.04504	6.7
85.02885	3.4
86.09726	1.7
89.06049	1.3
91.05494	8.9
93.03413	19.9
93.07024	7.3
95.04976	5.0
97.06518	2.9
103.05478	5.3
105.07034	1.2
106.04182	25.6
107.04926	0.9
116.01688	10.1
120.08114	4.4
121.06509	36.8
125.05990	13.4
130.04985	8.0
131.04962	1.4
133.06453	0.9
134.03619	4.7
137.05971	1.0
139.07523	4.1
139.44312	0.8
142.03238	3.0
143.11804	1.4
144.01176	7.9
145.02818	1.4
148.05183	1.4
149.05986	86.6
151.07533	4.2
153.05521	1.6
153.09106	21.8
162.02196	28.7
163.07538	4.4
164.55553	0.7
165.25014	0.7
166.06367	0.9
166.08658	0.9
167.07057	1.2
170.02710	1.4
173.63924	0.7
175.20921	0.8
176.04584	0.8
177.05479	38.5
177.10194	1.7
179.04849	20.2
181.08589	27.6
187.05458	0.9
191.06996	5.7
207.08948	3.8
209.08101	100.0
215.04979	1.0
223.04253	20.4
231.04204	1.0
233.05943	5.4
245.06009	1.1
251.09151	9.2
308.09113	93.5
336.19370	1.3
369.10910	8.3
393.68182	0.8
401.15961	1.8
423.12347	1.4
498.15701	5.9
558.17584	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	766.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65332	0.3
65.86729	0.3
66.85820	0.3
67.52450	0.2
68.37534	0.3
77.33147	0.3
83.08725	0.3
84.05632	55.7
125.42336	0.3
208.14465	4.7
226.15495	100.0
227.15823	1.2
496.95074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50058	17.9
57.07062	24.0
58.70101	16.6
59.93347	18.0
62.84730	17.8
71.08617	30.5
75.53637	18.4
87.04449	24.6
89.06021	100.0
103.95341	18.5
112.77496	19.6
133.08586	43.2
161.46397	22.6
167.23425	19.7
175.43152	20.1
247.20871	21.8
326.23892	20.9
431.87155	20.5
453.64102	23.2
469.42648	18.1
471.88696	20.9
481.73172	22.6
527.04913	20.4
548.16888	22.9
695.12708	21.6
749.50256	37.4
766.53021	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88710	1.7
57.19526	1.8
59.51884	1.9
72.69426	1.8
93.88026	1.7
122.86549	2.0
128.47044	2.1
143.01898	54.6
145.03481	3.1
155.01883	9.6
161.02959	39.1
167.01923	11.1
173.02998	9.4
184.40767	1.9
185.02953	39.3
191.04266	2.0
203.04015	32.7
227.03998	38.5
245.05055	93.4
263.06030	19.1
305.07126	3.7
314.88757	2.5
339.50900	2.4
365.09219	3.4
383.10370	15.5
425.11374	100.0
485.13718	7.3
707.20746	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	766.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87537	0.9
64.73165	1.0
65.03931	0.9
65.51007	1.0
67.40292	0.9
81.03405	1.1
93.03387	1.7
110.03593	1.2
111.04442	5.5
119.04934	1.3
121.02849	4.1
125.06039	2.2
126.16441	1.1
133.02882	4.4
135.38274	1.1
137.05965	2.3
147.04417	1.9
149.37009	1.2
153.05461	23.4
161.05894	1.1
161.09717	1.5
163.07591	1.6
164.07060	1.5
167.07039	4.2
175.07594	1.2
177.05560	1.8
189.09084	1.3
191.07077	1.6
223.07646	1.6
225.09164	1.6
240.07813	2.4
249.09055	1.6
253.08554	10.9
253.12300	8.5
266.09253	2.4
267.10220	2.2
270.08701	1.8
277.08493	1.8
281.08295	2.3
281.11761	5.7
283.09601	5.3
284.10458	2.1
285.08099	1.2
285.11319	5.3
285.14899	5.5
295.09689	2.2
297.11267	1.7
298.12012	4.1
299.12820	10.3
300.10059	1.4
309.11249	9.4
310.12103	4.8
313.10712	18.7
313.14398	9.4
326.11575	2.0
327.12296	38.5
328.13147	2.2
331.15433	6.6
341.13782	7.6
359.14893	100.0
361.16583	1.8
371.14847	9.4
389.15948	29.7
456.21530	1.4
509.21906	8.1
540.92743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38353	0.5
56.28219	0.6
57.40284	0.5
60.72815	0.5
70.06586	0.9
71.03254	0.5
85.02915	0.8
86.90051	0.6
88.31934	0.5
90.32607	0.5
91.05463	0.8
93.03413	5.1
93.07046	1.3
95.04937	0.8
97.72646	0.6
98.03283	0.6
103.05447	2.7
106.04190	2.9
107.05006	1.9
121.06498	8.6
123.04365	0.8
125.05983	2.4
134.03630	0.7
137.05956	1.2
139.07565	0.8
149.05988	23.0
149.07130	1.2
151.07553	1.3
153.09113	5.7
155.07037	3.3
163.03822	0.8
163.07544	1.2
164.41711	0.6
165.05418	0.9
167.07031	100.0
177.05479	13.2
179.07001	8.0
181.08574	8.3
183.06509	9.9
184.25070	0.5
191.07047	3.2
192.07896	0.6
193.08609	4.5
209.08099	22.2
211.09650	21.0
211.11635	0.8
211.77811	0.5
223.04181	10.3
225.07570	38.9
251.09181	0.8
276.16812	0.6
284.48688	0.8
312.09109	2.5
330.09952	1.1
417.15152	0.7
435.16428	4.6
648.98315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65825	0.5
60.12183	0.5
63.32742	0.5
65.03978	0.5
70.06576	0.8
72.85234	0.6
75.04510	0.7
78.04635	0.6
79.63096	0.6
91.05474	0.9
93.03408	4.2
93.07041	1.2
95.05002	0.8
100.54371	0.6
103.05473	0.9
106.04216	4.4
107.04976	0.7
117.00547	0.6
121.06512	10.3
122.21996	0.7
123.04433	1.2
125.06007	2.5
127.09922	0.6
127.59167	0.6
131.04926	1.0
134.03621	1.1
137.06001	1.5
145.02765	0.7
149.05977	20.6
151.07550	1.5
153.09103	4.0
155.07048	3.8
157.30507	0.5
161.05994	1.3
163.03925	2.9
167.07030	100.0
170.95317	0.7
177.05481	15.6
177.09093	0.7
179.07042	6.1
181.08559	9.1
183.06555	11.5
191.07088	3.4
193.08627	3.5
202.76472	0.6
209.08083	23.3
211.09662	22.3
223.04242	11.0
225.07562	41.7
245.46709	0.6
249.68184	0.6
251.09157	1.1
312.08990	3.3
330.10165	2.6
388.13589	0.6
435.16516	4.2
633.00629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47947	0.4
62.70834	0.4
65.03828	0.4
67.33564	0.4
84.05636	50.3
87.72372	0.4
92.84848	0.4
114.98784	0.4
158.05241	0.4
167.06996	0.8
208.14444	5.4
226.15500	100.0
258.14676	0.5
303.73157	0.5
482.61801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06000	0.5
62.41232	0.7
85.02885	0.7
92.73728	0.5
103.05478	0.8
105.07011	1.0
105.85034	0.6
107.04975	5.2
113.93800	0.5
118.05169	0.5
121.06554	2.1
128.82637	0.6
131.04921	5.8
133.06474	2.9
135.08043	0.6
136.06970	0.5
137.05981	3.9
141.87451	0.6
144.08009	0.6
145.06488	3.3
147.04382	1.1
151.07561	3.2
159.89177	0.6
161.06000	8.0
163.07547	15.3
163.08881	0.6
167.07031	100.0
173.09511	1.0
175.07527	1.4
177.09135	1.2
179.07054	2.7
181.08542	5.8
187.07544	3.1
188.09764	0.6
189.09047	0.9
193.08615	20.3
201.09108	3.6
203.08499	0.8
205.08698	0.7
219.10181	3.0
233.11703	3.2
237.11234	2.4
263.10767	0.7
289.99344	0.6
323.12946	1.0
345.21072	0.7
355.15494	3.4
387.18192	6.1
405.19080	52.6
423.20139	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	764.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02951	0.9
68.47566	0.8
69.03412	1.9
70.06592	0.8
73.02905	0.8
73.89922	0.7
74.62437	0.8
78.79483	0.8
85.02906	12.2
97.02901	4.0
103.05450	1.1
105.07014	0.9
107.04952	5.1
109.02874	0.9
113.58141	0.8
121.06480	1.1
127.03922	1.8
130.00945	0.8
131.04947	5.7
133.06479	2.0
135.08017	1.2
137.06006	1.2
140.70898	0.8
145.04944	1.1
145.06493	3.0
145.10286	0.8
147.04451	1.4
148.97281	0.9
150.91182	1.0
151.07547	3.4
159.08046	1.1
161.05957	8.5
163.07550	14.5
167.07036	100.0
168.84813	0.8
177.09029	1.4
181.08611	5.1
187.07590	3.2
193.08638	19.3
201.09160	3.6
205.08572	1.1
219.09998	1.1
233.11789	3.3
237.11134	1.1
355.15430	3.7
387.17969	6.4
405.19092	51.0
423.20178	22.9
505.27780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14198	2.1
64.14880	2.3
77.21590	3.0
80.69407	2.6
107.04958	16.9
131.08516	2.9
149.06006	4.0
150.54506	2.9
159.08093	3.5
161.06024	3.7
167.07047	48.6
175.07544	4.2
177.05447	5.9
181.04948	24.8
181.08577	3.7
187.07574	4.1
191.07068	6.5
195.06497	2.8
205.08624	6.5
209.08090	18.1
217.08583	21.4
224.13237	2.8
229.08572	3.1
230.09270	3.0
233.08070	11.2
233.33540	2.6
235.09750	3.4
241.08598	5.5
245.08154	23.3
247.09738	4.1
248.08322	3.8
251.09210	11.1
261.09137	5.5
268.73407	2.8
277.08633	5.3
278.09515	3.5
279.10223	10.1
288.07840	5.1
290.09369	3.8
291.06906	4.1
291.10031	6.3
292.07132	3.4
293.08105	5.0
304.32361	2.7
306.08890	24.8
307.09570	18.2
308.10312	10.3
321.11368	26.3
322.12097	3.3
323.09048	3.9
329.10245	19.1
334.08438	14.2
335.09134	15.6
337.11029	3.2
338.11472	6.4
339.12231	5.8
345.09802	4.2
349.10660	28.7
350.11694	5.8
351.08527	5.1
366.11017	17.3
367.11761	12.0
369.13254	4.9
371.14673	4.3
381.13354	100.0
383.14914	3.2
399.14340	29.9
401.15866	2.8
409.12836	4.1
417.15399	25.9
441.15436	79.6
443.16959	3.3
459.16486	36.4
472.68463	2.6
494.79596	3.0
501.17688	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	764.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02912	0.7
89.42167	0.6
91.05470	1.4
93.03436	5.0
95.05011	0.7
103.05494	1.3
106.04191	5.3
107.04964	0.9
119.04934	0.8
121.06528	10.1
125.05984	3.7
131.04912	5.6
133.06607	0.6
137.05978	7.4
144.08098	0.8
147.04442	0.8
148.05193	0.7
149.05986	20.3
150.06778	0.7
151.03925	9.3
151.07552	1.3
153.09081	4.7
163.03893	1.3
163.07507	3.7
166.06264	0.7
167.07039	100.0
170.09674	1.3
177.05472	10.9
177.09050	0.9
179.06966	1.0
181.05003	3.5
181.08566	8.3
186.40605	0.6
191.07045	18.9
195.06570	1.3
205.08611	0.8
209.08089	40.1
223.04178	6.1
223.06067	10.8
263.09229	1.0
279.08725	1.5
312.08990	0.9
355.11932	0.9
387.14362	13.0
426.75186	0.7
433.15112	9.7
564.72717	0.8
632.71869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74268	0.2
60.04538	0.5
60.05658	0.2
60.51153	0.2
70.42284	0.2
81.71198	0.2
81.97314	0.2
84.05637	50.2
85.02916	0.4
89.48499	0.2
120.68102	0.2
147.10748	0.2
175.14319	0.2
208.14452	4.9
210.40393	0.3
226.15509	100.0
227.15863	1.2
472.38440	0.3
495.67651	0.3
584.72351	0.2
762.39575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06331	1.0
58.06608	26.8
66.23031	0.4
72.08154	0.6
84.08144	10.2
84.98384	0.4
86.09714	0.4
95.04964	0.7
102.09189	18.1
105.07005	0.9
107.04966	10.3
131.04976	0.4
131.95267	0.4
133.06517	0.6
135.08058	100.0
145.06464	0.4
161.05972	0.8
161.09608	2.8
168.06741	0.4
173.09615	13.6
191.07050	0.6
191.10696	6.7
209.11720	23.5
212.39986	0.4
244.18097	0.4
246.23164	0.4
343.15353	0.8
402.22702	0.6
404.24295	14.6
420.92679	0.4
444.27576	1.6
692.06238	0.5
762.42090	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22374	1.4
53.53046	1.2
67.87727	1.4
85.02909	7.9
88.11263	1.8
100.64709	1.5
105.18127	1.5
107.04958	2.1
112.23675	1.5
131.04921	2.7
153.05551	2.9
167.07028	44.7
171.14949	3.3
189.05501	2.4
191.07025	2.5
199.14447	15.5
201.03578	3.0
201.05460	79.9
203.06769	2.3
213.05444	26.3
231.06514	14.7
235.07529	2.3
247.07610	3.6
257.05893	2.5
261.09167	1.7
263.07034	6.0
264.07761	2.1
265.08575	3.6
265.67752	1.5
274.06293	2.0
275.07080	6.8
276.07730	2.0
279.10257	5.8
289.08499	2.7
291.06448	2.1
292.07303	9.0
295.09753	3.2
302.05716	2.7
303.06491	41.7
304.07330	3.2
305.04623	3.0
306.08865	2.0
307.09500	14.8
317.08173	3.0
320.06754	34.8
323.09143	6.5
324.09842	2.2
335.09131	81.2
337.10672	2.3
352.09598	3.7
355.11765	14.4
367.11743	66.8
385.12793	100.0
571.26324	10.2
601.27539	27.6
763.33142	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	760.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
120.08067	2.7
144.08073	45.2
145.08852	8.0
157.07536	3.5
157.08858	100.0
158.09650	4.0
159.09180	7.3
170.09660	9.9
171.10130	6.6
172.09898	7.0
173.10803	1.8
187.12367	1.9
191.18907	1.7
201.13945	7.5
218.04514	2.0
236.05588	3.7
274.07224	2.3
291.12613	20.3
322.16751	7.2
361.11749	7.9
379.12943	26.8
424.15552	6.5
480.47797	1.8
483.16904	4.0
507.08142	2.0
514.20984	21.9
570.38757	7.1
656.95569	1.9
760.32458	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62875	0.1
58.36600	0.1
61.24349	0.1
84.05628	8.5
90.87659	0.1
101.61337	0.1
136.06184	0.5
148.07521	0.1
194.08109	1.8
206.41696	0.1
208.10822	0.9
226.11905	0.3
236.10321	1.1
254.11351	100.0
255.11572	0.1
268.10583	0.1
296.71332	0.1
296.96170	0.1
299.95959	0.1
432.03995	0.1
507.22006	4.5
602.21484	0.1
766.52771	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	762.318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	0.4
70.06602	0.1
72.08182	0.2
72.39052	0.2
78.26775	0.2
78.52581	0.2
81.03430	0.3
84.00710	0.2
85.02909	2.2
97.02889	0.4
101.53572	0.1
105.07035	2.5
107.04955	1.0
108.20123	0.2
115.05421	0.3
123.04395	0.2
127.03887	0.3
130.07840	0.2
133.06505	3.6
143.06071	0.2
145.05061	0.2
145.06512	0.3
149.05963	0.6
152.04840	0.2
156.14604	0.2
159.62155	0.2
161.05980	9.6
163.07495	0.3
167.07042	100.0
173.05980	1.3
179.07056	0.2
179.28064	0.2
181.08621	1.6
190.06155	0.2
193.08614	13.7
195.10254	0.2
205.08675	1.3
207.10181	0.2
211.09665	20.0
217.08711	0.2
221.08168	0.2
224.13983	0.2
229.10664	0.2
234.97919	0.2
235.09550	0.2
239.09180	0.7
241.08536	0.2
265.10822	0.4
295.11887	0.8
319.11841	0.4
337.12631	1.3
355.13937	1.1
373.14941	0.9
403.17624	1.7
456.94870	0.2
762.32654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66791	0.8
69.03423	0.7
73.60683	0.9
78.72956	0.9
80.52786	0.8
85.02898	3.3
91.88554	0.8
107.04971	4.3
147.04422	1.0
159.08125	1.2
167.07013	15.4
181.04938	1.1
181.08565	0.8
187.07510	3.5
201.09177	0.9
205.08577	4.5
207.06590	1.0
217.08624	12.7
219.08105	2.0
219.10077	1.0
229.08662	5.8
231.10248	1.3
233.09802	2.8
245.09619	0.9
247.07523	4.8
247.09714	1.4
248.08333	3.7
251.10614	4.7
261.09079	2.0
262.10031	1.5
263.10767	7.3
264.07770	2.0
271.09589	3.8
276.07834	3.6
279.10117	10.7
290.09363	1.9
291.10193	9.3
292.07257	1.1
293.08154	1.7
296.10507	1.7
297.75061	0.9
299.09045	0.9
304.87332	0.9
305.08350	1.0
307.09525	7.5
308.10461	5.0
311.12741	4.0
315.08722	1.2
319.09628	4.1
322.11807	1.0
323.12857	5.5
330.11047	1.6
336.10040	4.7
337.10678	5.8
339.12308	4.5
340.13025	1.3
350.11667	1.1
351.12283	5.1
352.13062	1.5
353.10049	6.9
356.12384	1.6
368.12418	15.8
371.15128	2.0
383.14911	58.7
391.55957	0.9
401.15952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88008	1.2
59.30662	0.9
64.14290	0.9
65.32523	0.9
69.03434	1.1
76.34150	1.0
81.03415	11.9
85.02907	8.1
90.97421	1.1
92.44077	1.0
97.02898	1.7
107.04984	8.3
109.02898	1.1
117.07000	5.9
127.04012	1.3
129.06967	1.4
131.08574	1.4
145.04887	1.7
145.05255	1.3
145.06497	22.4
157.06494	1.9
159.08034	5.7
167.07013	41.2
173.05983	100.0
180.08633	1.6
187.07585	8.8
190.06232	35.3
191.06938	1.7
193.08580	2.4
203.07005	10.4
205.08600	98.3
207.06525	2.0
217.08589	46.6
217.10582	2.3
219.10243	1.9
223.09677	1.2
225.13765	1.2
233.09677	1.3
235.09695	20.4
247.09723	6.8
263.10825	1.6
265.10690	94.9
279.10187	1.0
291.10223	1.8
298.95782	1.1
308.10605	1.3
315.08698	5.2
330.10922	9.7
336.10016	1.9
343.02585	1.0
350.15463	1.1
351.12018	2.1
368.12518	1.7
383.14819	8.6
401.15942	40.6
419.17050	2.3
590.66187	1.2
646.77808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01878	0.6
57.03423	2.1
61.02941	4.1
61.49880	0.5
69.03439	7.6
71.04971	2.0
73.02917	0.5
75.13354	0.5
78.47303	0.5
80.16611	0.4
81.03424	4.0
85.02913	56.2
85.59110	0.4
91.03959	2.1
97.02294	0.8
97.02902	17.4
99.04447	3.0
109.02888	4.8
115.03941	0.6
127.03914	11.9
131.07304	1.2
144.08084	1.9
145.03882	0.7
145.04977	11.2
145.08856	4.4
157.08867	8.3
158.09669	1.0
163.06001	3.1
182.09602	2.1
183.10483	6.1
184.11215	0.8
195.10390	2.0
197.08331	0.8
207.06454	2.3
208.06844	0.8
210.12787	12.7
211.13579	0.8
212.10689	2.4
212.14378	2.4
226.12202	1.0
227.09430	0.5
230.11781	8.7
238.12241	3.0
244.13341	4.2
256.13321	100.0
273.15991	36.3
289.09317	0.6
325.11224	2.7
344.75400	0.5
353.98151	0.5
522.81128	0.6
597.26611	0.7
759.31812	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	759.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	1.1
55.01889	1.4
57.03184	0.7
57.03438	4.0
57.37237	0.7
59.12317	0.9
61.02934	6.2
69.03440	16.8
71.05006	1.8
73.02934	1.5
74.31864	0.8
81.03435	7.1
85.02917	100.0
87.04481	1.6
91.03978	3.9
97.02901	32.8
99.04460	5.9
109.02888	9.9
115.03989	1.0
117.05756	4.5
124.60246	0.8
127.03928	24.5
130.06570	5.1
131.07336	7.8
143.07368	1.9
145.04968	17.5
163.06071	1.3
168.08176	1.7
169.08913	1.5
170.09651	3.6
174.11551	22.9
181.09007	3.0
182.09651	0.9
196.11234	16.3
198.09192	13.9
212.10780	4.8
216.10225	39.1
223.91776	0.9
224.10745	11.3
230.11781	7.2
232.28983	0.8
242.11768	71.4
273.15991	67.2
325.11487	1.4
355.80408	1.3
597.26703	1.3
759.31921	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	758.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91795	1.3
63.35281	1.2
70.06591	2.0
70.69157	1.1
72.08148	2.4
81.03405	1.3
84.65285	1.2
122.06039	1.5
123.04459	1.4
135.08073	2.3
136.07588	8.6
138.09201	9.5
140.07103	2.1
150.05438	1.5
163.03957	1.6
164.07062	83.4
171.80925	1.1
174.09200	4.8
177.06644	2.0
181.09743	6.6
191.08186	5.5
192.10228	2.2
203.08200	5.8
204.06560	1.9
217.09718	2.9
220.09547	1.5
224.91595	1.3
229.06104	13.5
230.08154	2.1
231.07712	1.3
231.32655	1.2
233.09181	1.8
235.10805	5.0
240.51418	1.4
243.07654	1.7
245.09195	31.2
246.07591	2.9
248.09258	4.4
259.10883	4.8
261.08679	35.9
261.12418	2.3
263.10236	61.8
271.07147	26.1
274.13171	1.5
275.13904	11.8
277.11743	2.3
285.08768	1.6
285.12451	2.6
287.10272	35.1
289.08246	11.9
289.11661	2.3
301.11792	26.9
305.11313	100.0
307.12881	18.5
313.08151	8.7
319.12958	1.7
329.11377	1.5
331.09460	1.8
333.10861	6.8
352.16464	1.9
366.18274	2.4
381.17834	1.9
384.19626	1.7
398.20850	5.5
406.17569	13.0
408.19293	6.6
420.19272	11.2
424.18689	8.4
426.20273	19.1
434.17114	8.8
438.20200	10.2
452.18222	26.6
482.18741	2.0
571.25916	1.3
589.26947	2.6
607.27576	30.0
619.27948	3.0
637.28613	13.6
640.82800	1.4
710.28766	5.0
728.29559	28.6
740.29449	15.4
758.30707	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93508	0.1
60.05654	0.2
60.58214	0.2
63.72995	0.2
74.82885	0.2
84.05633	24.4
88.57490	0.2
93.35028	0.2
113.62740	0.2
122.23847	0.2
148.07555	1.0
166.08586	0.9
182.96272	0.2
194.08119	3.7
208.10832	2.8
226.11848	1.2
236.10347	2.1
254.11345	100.0
256.12784	0.2
288.02530	0.2
449.55554	0.2
644.40967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08163	5.3
74.94290	0.2
89.10802	4.1
89.37738	0.2
98.06057	0.3
102.99957	0.2
115.08682	1.0
115.28693	0.2
117.03384	0.4
133.16145	0.3
145.02856	12.1
149.05934	0.3
151.03880	0.5
177.05476	100.0
215.28746	0.2
248.12836	6.7
265.15475	44.2
746.83545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77469	0.9
55.72194	0.9
59.62201	1.0
66.41222	0.9
69.03440	1.1
70.26129	1.0
85.02905	6.7
87.66605	1.2
106.50107	1.1
107.53906	1.1
117.46069	1.0
117.81797	1.3
121.02853	2.4
163.98039	1.3
191.09068	1.0
236.26239	1.4
283.05896	1.4
294.05264	5.2
294.39713	1.1
295.06015	37.6
307.06039	30.8
308.06744	1.9
309.07578	1.8
313.07077	2.5
321.07590	4.5
323.05524	2.5
325.07068	100.0
333.07510	2.1
335.09171	9.1
337.07047	67.8
347.09341	4.9
349.07135	34.3
351.04935	1.6
351.08691	15.1
355.08218	15.1
361.07043	13.5
363.08679	6.2
364.74500	1.2
365.10284	13.6
367.08093	2.4
373.06891	2.1
375.08661	7.3
377.06387	2.3
377.10611	1.4
379.08121	53.0
379.12720	2.4
385.07013	4.6
389.10278	2.3
391.08154	32.2
393.09641	4.2
403.08142	28.3
409.09195	17.6
415.08011	2.2
417.09644	1.5
421.09125	18.1
427.09592	5.5
431.11307	1.7
439.10001	10.0
445.09119	2.2
457.10782	7.4
463.10126	2.1
475.10593	1.8
481.11044	4.6
487.10974	2.5
505.11832	1.3
511.11795	1.2
517.13324	2.5
523.12067	1.8
541.13306	2.0
571.14496	5.7
577.15442	1.4
583.14288	2.2
589.15710	5.1
601.15155	4.4
619.16602	50.3
637.17889	18.9
637.76416	1.2
643.16333	5.6
661.17694	8.2
673.17792	12.2
685.17474	4.9
691.18768	8.6
703.18500	8.1
721.19739	22.8
739.20782	41.3
757.21613	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	757.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56993	1.9
59.09069	2.0
66.05488	2.0
69.03429	5.9
69.50916	2.3
77.07626	2.6
85.02905	38.3
97.02927	4.0
97.21827	2.8
103.03946	4.3
109.02898	4.1
117.18719	2.3
118.48356	2.3
120.40703	2.4
121.02845	3.4
123.84229	2.2
127.03876	4.2
187.13315	2.2
193.44717	2.4
201.96759	2.8
214.09331	2.3
294.05148	9.7
295.05969	42.3
305.07913	2.9
307.05966	22.7
309.07486	4.4
316.20041	2.5
321.07779	4.4
323.05368	3.9
325.07043	100.0
335.09119	3.1
337.07074	69.8
347.09082	3.2
349.06955	29.5
351.04843	3.9
351.08542	25.4
355.08160	17.3
361.07178	17.1
365.10193	13.7
367.08353	3.8
375.08511	10.0
379.08060	41.7
389.10065	2.5
391.08011	21.1
403.08286	19.9
409.09106	16.4
421.09201	9.6
439.10269	11.0
457.11282	73.5
475.12326	24.0
481.11261	5.6
511.12616	10.5
523.12201	3.6
541.13269	13.8
559.14642	23.3
577.14789	18.4
637.17877	12.4
721.19598	4.9
739.20551	11.3
757.22003	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1961
Annotation	UNII-8PGL6583N7
Peak:m/z	Relative Intensity
61.58867	0.2
66.23250	0.2
69.03429	1.2
71.04987	0.9
81.03429	2.3
83.04991	1.5
85.02901	1.6
86.01650	0.2
91.05485	2.7
97.02885	1.3
99.04460	0.3
102.83852	0.2
107.04944	1.9
109.02879	1.2
111.04451	0.7
119.04112	0.4
119.04949	9.5
127.03931	0.8
129.05458	0.2
147.04419	100.0
151.03920	1.2
161.05948	0.4
165.05470	5.5
169.04965	0.4
187.07591	0.3
197.06007	0.2
239.07172	0.3
242.63942	0.2
257.08118	3.7
275.09305	0.4
291.08612	2.6
301.19089	0.2
303.05026	7.2
309.09720	4.9
315.04974	1.1
327.04895	0.4
335.95596	0.2
345.06097	3.8
346.79776	0.2
369.06094	0.3
395.07700	0.7
401.12341	0.2
413.08618	0.4
419.13477	0.7
431.09198	0.5
449.10947	3.8
602.21631	0.2
711.49286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08156	37.1
77.57047	0.5
89.10792	31.1
89.28004	0.5
90.66478	0.4
98.06030	0.6
115.08677	2.2
125.99017	0.6
135.04440	0.9
145.02867	2.8
152.07120	0.5
163.03894	100.0
209.89462	0.5
219.07089	0.5
234.11227	11.5
251.13882	71.7
413.19150	5.9
536.88367	0.5
586.74487	0.5
649.02533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40826	0.9
59.82978	1.0
65.19240	1.0
66.80615	1.0
70.06605	1.2
74.94572	1.1
81.07069	1.4
85.02915	2.0
90.36503	1.1
122.06048	1.8
135.11656	1.7
136.07562	2.2
158.63219	1.2
164.07126	8.6
164.42979	1.2
270.46884	1.4
277.21698	1.5
278.21854	2.9
289.25906	1.1
293.24216	1.6
317.35446	1.1
339.47577	1.1
347.13843	2.2
361.11795	1.6
375.13437	2.6
377.15021	1.8
393.14410	2.5
395.16174	1.6
403.12793	2.3
404.15884	1.5
406.18027	2.3
420.13275	5.0
421.13983	23.7
468.19202	4.9
496.19165	5.1
514.19867	27.1
516.21307	2.0
518.22882	5.5
524.17865	2.5
526.19775	1.6
542.19263	26.7
544.20844	12.1
562.22253	2.7
588.19843	20.1
618.20477	9.6
676.26819	1.5
725.27686	2.5
755.29175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	2.6
59.09826	0.1
69.07077	2.2
70.06604	1.2
72.08154	0.7
73.49831	0.1
74.00903	0.1
84.08151	0.9
85.08939	2.6
86.09701	0.8
95.04971	0.1
96.08153	0.2
100.11270	1.9
114.12814	100.0
114.96958	0.1
152.89096	0.2
158.43135	0.2
175.11261	0.3
254.11378	0.3
302.88376	0.2
359.23526	0.9
372.44681	0.2
384.28665	2.5
406.18076	0.2
490.32843	2.8
508.34167	0.2
712.40210	0.8
756.39258	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	5.0
57.03445	2.6
67.05503	7.2
68.27778	1.3
69.03426	2.0
71.05013	1.9
79.05495	6.9
81.03421	22.8
81.07066	8.1
83.04989	2.7
83.08609	11.6
90.19677	1.1
91.05480	5.3
93.07040	5.8
95.04985	13.2
95.08598	5.2
95.54702	1.2
97.10177	12.8
105.07054	6.0
107.04974	6.3
107.08600	9.9
109.06528	6.6
109.10141	8.3
111.04428	2.1
111.08092	5.2
117.07034	2.1
119.08591	3.1
121.06500	4.8
121.10122	4.9
123.08066	5.1
125.09661	16.2
129.07053	2.0
131.08569	6.0
133.06516	1.3
133.10139	5.2
135.08078	5.1
135.11774	1.5
143.08563	2.4
145.06444	2.1
145.10124	2.8
147.08012	1.9
147.11702	5.7
149.09618	5.0
153.09096	4.8
157.10141	6.0
161.05949	1.5
161.09653	1.6
163.11179	2.9
171.08099	1.2
171.10213	2.2
171.11681	2.1
175.11205	6.3
187.11099	2.0
189.11198	4.5
189.12764	3.0
193.12248	22.4
213.12878	1.7
215.14432	2.4
219.13817	2.3
223.13339	1.4
233.15393	5.4
235.13290	1.5
255.13933	1.7
267.15936	28.8
273.14819	7.6
293.17456	1.3
339.23340	2.1
349.21765	3.0
367.22668	11.0
385.23605	17.5
403.24554	2.7
441.26251	8.8
459.27451	65.8
474.02448	1.2
477.28485	100.0
491.30139	14.5
509.31497	9.0
592.18835	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	754.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53591	1.0
53.03957	5.0
55.01878	4.5
55.05519	4.6
56.48480	0.9
57.03446	2.3
57.07072	0.9
60.06671	0.9
60.31690	0.9
61.02933	2.3
67.05527	7.9
69.03437	19.2
69.07069	9.1
71.04990	7.6
71.12418	0.9
73.02930	2.5
75.77206	0.9
79.05498	5.0
81.03429	21.8
81.07071	20.2
82.10676	1.1
83.04984	1.7
83.08627	5.0
85.02914	54.2
85.06555	94.7
87.00840	19.7
91.03922	1.1
91.05482	1.5
93.07033	8.9
95.04952	1.2
95.08609	27.2
97.02322	1.2
97.02910	22.0
97.06473	3.7
97.10156	5.6
99.04456	10.6
99.08109	11.2
103.03955	1.3
105.01893	15.2
105.07041	1.9
107.05013	1.0
107.08579	13.1
109.02885	33.8
109.10176	28.1
111.08062	1.6
111.11722	1.9
113.09641	1.3
119.08571	2.3
121.10155	12.2
123.04381	1.5
123.11715	24.7
125.02361	1.2
125.09663	1.5
127.03931	39.8
127.11191	7.9
129.01852	2.7
131.08626	1.4
133.10150	5.3
135.08057	1.1
135.11708	13.0
137.13264	5.7
137.94954	1.1
141.12761	1.1
145.04996	8.1
145.10199	1.5
147.11745	1.5
149.13260	9.0
151.03915	1.8
159.02878	10.3
159.11737	2.1
162.16986	1.2
163.14841	2.5
179.18025	1.3
187.06108	1.4
189.03952	1.9
189.16449	1.4
205.19547	10.0
213.03966	6.1
223.20543	12.4
231.04959	10.4
241.21629	100.0
249.06017	2.4
273.06064	5.1
313.21753	2.0
331.22687	4.4
339.07211	1.7
349.23596	1.8
389.13885	1.2
417.22845	1.8
435.23920	8.9
443.08331	1.7
453.24878	7.6
461.09003	2.0
471.25909	11.3
479.10529	1.8
489.26843	7.9
536.78741	1.1
540.09229	1.3
754.34674	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	754.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04783	1.7
56.05045	43.2
56.05321	1.8
58.93898	1.1
59.94289	1.0
60.04528	18.2
61.01157	1.9
72.96877	1.0
84.04507	1.9
84.08154	25.1
86.06079	2.8
88.09833	1.2
92.17863	1.1
94.48450	1.1
98.15167	1.1
102.03761	1.4
102.05524	2.0
104.05331	57.4
114.05536	11.7
129.10246	23.6
130.08644	15.0
136.03905	1.9
136.33318	1.2
139.08676	4.7
143.08142	5.3
147.11290	16.0
153.06595	18.6
154.05022	5.0
171.07739	1.7
173.09149	1.4
183.07637	11.3
187.09003	2.3
191.08569	5.8
198.05841	2.4
201.08694	19.8
203.08385	1.4
208.10779	1.4
215.08609	2.3
215.87416	1.3
217.06430	6.0
219.08150	1.5
233.09454	1.4
235.07494	6.5
238.11812	9.2
240.13501	5.6
241.11847	1.5
258.14511	14.6
261.09155	1.4
266.11386	7.6
276.15591	2.5
286.12115	1.4
302.11749	2.4
314.11786	1.6
330.11221	4.6
359.19510	1.9
371.17221	1.4
605.05951	1.3
690.30872	9.4
714.56421	1.4
754.31085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40747	0.6
52.66003	0.8
57.97862	0.8
67.59252	0.8
80.88695	0.8
84.05620	2.0
84.52029	1.1
88.03970	1.2
92.17715	1.0
95.04980	0.8
109.86699	0.9
120.01180	1.9
122.06034	4.7
134.06010	1.2
136.07567	1.1
154.03242	8.0
156.04793	6.8
161.07088	1.3
162.05505	12.6
164.07062	1.1
168.04787	8.6
170.31189	0.9
180.04787	4.1
182.06377	2.0
186.09221	1.0
194.06335	0.9
195.05890	11.5
201.32596	0.9
208.07928	3.2
209.09148	1.3
212.10701	1.9
222.07617	2.1
224.07063	4.3
226.15489	3.7
227.11819	1.4
240.08719	1.2
241.06445	18.2
241.09698	9.2
244.07947	1.4
255.11270	24.4
257.09973	0.8
257.12830	5.1
266.08115	1.2
272.07449	1.4
273.06955	1.8
273.12408	0.9
275.08508	3.7
283.10782	13.9
287.08453	6.3
289.10095	3.5
290.08414	1.6
298.08960	1.2
299.08490	1.6
301.12021	20.8
307.45169	1.0
312.13773	3.1
313.10034	1.3
315.07928	4.1
315.13535	19.8
317.09521	4.9
331.11282	1.1
333.09085	4.1
335.10211	1.1
341.09576	1.5
343.11121	0.9
358.12576	1.1
359.10757	5.7
361.12112	1.2
376.13312	4.5
378.14978	1.1
404.12253	1.2
422.13818	100.0
444.11810	0.9
473.18320	0.9
486.08044	0.8
504.20441	0.9
575.21594	11.7
583.18555	5.0
593.22675	3.4
754.28680	1.2
760.04474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89118	0.7
56.51060	0.6
57.03439	1.1
58.11476	0.7
60.08175	0.8
60.24674	0.6
69.03430	5.3
70.06593	1.4
71.76459	0.9
72.08150	1.7
79.30638	0.7
81.03421	1.7
85.02911	23.2
91.05497	1.5
97.02896	8.4
98.06053	1.2
99.04422	1.3
103.05446	1.1
105.03409	0.9
105.07069	2.9
109.02883	4.0
119.04935	5.4
121.06509	2.0
124.05195	1.4
127.03916	6.6
130.04152	3.3
131.04926	10.2
133.02866	5.6
133.06505	5.3
134.34756	0.7
137.05989	23.3
145.04950	1.3
145.27095	0.8
147.04419	17.3
147.69168	0.8
148.05183	1.2
149.05995	18.9
149.19954	0.8
150.06770	39.4
151.07552	3.8
152.08382	1.1
159.04434	3.0
161.02438	1.0
161.05984	24.4
162.06764	100.0
163.03917	6.8
163.07565	8.3
173.02290	0.9
177.05464	8.3
178.06322	3.1
179.07033	4.6
180.07773	8.6
187.03920	18.4
199.03979	1.7
215.15181	0.8
217.04985	4.5
223.07555	0.9
233.06056	1.1
235.07520	1.7
249.05360	1.0
263.07120	1.8
265.08499	1.6
268.21387	0.9
277.08603	1.4
279.06638	1.6
291.06522	22.4
293.08023	5.9
295.09619	1.6
305.08020	4.5
311.09164	15.8
323.09106	15.0
324.37454	0.9
341.10181	16.2
384.96494	0.9
429.20190	9.4
550.42682	1.1
591.25494	27.4
639.22797	0.9
753.30695	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01889	1.0
55.05519	6.7
55.61101	0.5
57.03450	0.8
57.18741	0.6
61.02927	1.2
69.03440	6.6
70.06590	9.3
72.08162	23.8
73.02928	1.1
73.05467	0.6
77.02995	0.7
78.25328	0.7
81.03418	2.8
85.02917	12.1
89.10806	3.7
90.04743	0.6
97.02908	5.6
98.06059	50.0
98.94325	0.7
99.09210	1.0
107.97009	0.7
109.02877	1.2
115.08693	41.2
118.80366	0.6
123.04435	7.7
127.03956	1.0
127.08698	1.4
133.02834	6.8
135.04422	24.8
136.05203	14.6
137.02350	2.9
137.05974	4.9
145.02898	1.3
147.04425	4.7
150.09166	1.0
151.03940	4.5
152.04736	3.3
157.09744	0.7
159.04514	1.2
161.02347	11.3
161.05920	1.0
162.03096	1.2
163.03900	45.9
173.02345	1.3
178.05020	0.8
187.03914	31.9
192.10257	1.2
221.10370	1.3
222.11269	1.1
223.07602	2.6
232.09793	2.8
233.06052	1.4
233.10515	0.7
234.11230	10.7
249.12437	4.4
250.13094	6.0
251.07094	6.6
261.05441	1.1
269.08191	3.2
275.10281	1.5
279.06506	11.0
295.06033	5.1
297.07574	55.2
322.07330	1.5
323.05515	6.6
394.13037	1.3
411.15509	15.6
426.53165	0.8
475.12268	0.8
478.43106	0.8
591.21893	21.9
753.27173	100.0
753.88275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07248	0.5
62.85769	0.5
72.24615	0.5
88.33870	0.5
94.50179	0.5
95.04977	0.8
107.04961	7.9
109.64574	0.5
131.04900	0.6
135.08061	100.0
136.25027	0.6
139.98300	0.7
145.10054	0.7
161.09634	2.2
173.09628	12.3
191.10675	2.6
209.11728	67.4
264.05209	0.6
287.35019	0.5
522.32068	0.5
567.29590	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	752.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66733	12.8
59.04998	100.0
63.02543	16.3
67.48935	16.8
68.31001	15.2
69.51926	14.4
85.95491	15.6
103.07587	35.5
155.43938	17.2
168.83492	16.0
232.61589	17.4
239.09416	19.5
266.62534	16.3
371.07211	18.9
460.72568	18.2
544.68573	15.9
571.75104	15.7
596.70404	15.7
597.44452	18.4
614.87097	18.0
633.42084	16.9
752.43842	74.9
767.78497	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	752.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	66.5
67.61395	7.1
79.46808	7.8
83.18028	8.3
87.04465	20.1
89.06036	100.0
92.18548	11.8
121.06523	36.3
133.08578	47.1
174.10689	8.7
181.13715	8.6
211.21613	8.3
233.19023	16.4
304.07721	9.0
333.31531	8.5
362.62811	9.4
378.36816	7.9
461.12842	8.1
735.48438	21.0
752.51001	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.9
55.01882	2.5
55.05510	7.8
61.02959	1.1
62.96896	1.1
67.05515	15.8
67.62450	1.0
69.03429	9.1
69.07076	13.1
69.52131	1.1
70.06578	1.5
71.04990	1.3
79.05502	9.2
81.03436	10.8
81.06609	2.0
81.07066	45.0
83.08645	8.3
84.08111	1.2
85.02912	27.9
85.06540	5.7
86.09698	2.3
87.00833	12.5
91.05481	17.8
92.17741	1.3
93.07053	58.7
95.04977	5.1
95.08046	2.1
95.08615	39.9
97.02905	14.3
97.10152	2.1
99.04437	5.7
105.01868	12.9
105.07041	50.3
107.08602	47.4
109.02876	14.1
109.06538	1.9
109.10162	72.7
111.08080	6.1
119.08585	48.1
119.09225	0.9
121.10152	52.6
122.35578	1.3
123.11715	15.3
125.09686	1.9
127.03924	22.7
133.10147	29.4
135.11699	38.0
137.09590	1.3
139.11223	1.4
145.04959	6.8
145.10162	5.9
147.11694	68.0
149.13298	1.6
159.02870	4.8
159.11708	2.2
160.12582	1.5
161.13258	20.6
163.14775	1.7
165.12698	2.2
175.14879	6.8
203.17967	100.0
205.19627	1.4
213.03888	1.6
221.19070	10.2
231.05043	10.1
249.06001	2.6
275.20010	1.6
280.16187	1.1
300.95624	1.3
361.78412	1.2
385.21472	1.3
433.22025	1.7
451.22662	3.5
469.23514	1.2
486.26825	2.9
752.33539	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	752.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00495	8.4
56.98079	8.6
57.95598	9.1
61.71375	10.5
69.03434	13.8
70.06570	10.7
72.80454	10.0
76.16086	9.0
81.03426	24.6
81.07059	47.7
84.08125	11.9
85.02901	88.1
86.54364	10.0
87.00832	19.0
91.05473	14.2
93.07041	25.0
95.08601	51.8
97.02892	18.6
105.01844	18.0
105.07020	51.6
107.08585	61.2
109.02835	17.5
109.10168	21.7
119.08585	19.1
121.10081	16.0
127.03910	25.6
133.10110	21.0
146.52864	12.3
147.11700	22.8
159.02930	13.9
183.65224	11.8
203.18047	100.0
206.97852	11.2
226.68716	10.9
231.04919	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	751.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49938	1.2
55.01878	2.6
61.02924	3.7
69.03442	15.0
71.05004	1.8
71.94855	1.5
73.02927	2.9
79.13266	1.5
81.03415	11.0
82.22804	1.4
85.02913	80.1
87.00837	20.8
91.03941	1.6
97.02908	24.5
99.04475	11.7
105.01878	38.0
109.02898	26.8
127.03914	51.2
144.08093	100.0
145.04933	14.2
156.08118	6.1
158.09657	34.0
159.02876	9.7
160.07590	2.7
161.75311	1.8
162.09158	19.8
167.07043	6.9
168.08081	7.1
174.09232	2.1
182.09694	2.4
184.07567	12.5
186.09157	80.6
198.09099	2.0
204.10214	51.8
205.03233	1.6
210.09096	3.4
224.10760	3.0
228.10175	6.9
231.05057	13.1
249.06187	6.1
252.10201	9.5
270.11218	8.0
288.12213	3.1
306.13416	8.8
324.14413	3.1
330.13394	1.7
348.14163	2.2
352.86032	1.6
366.15543	3.6
374.12521	4.0
375.65683	1.8
392.13431	30.8
393.10339	11.3
408.71124	1.9
410.14502	60.6
411.11343	7.5
452.15555	2.3
554.18665	6.8
572.11890	1.9
572.19641	16.1
734.24725	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	750.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05654	0.2
61.70071	0.2
64.34406	0.2
70.06618	0.3
77.84682	0.2
84.05637	53.3
88.37167	0.2
105.27751	0.2
106.92010	0.2
119.47728	0.3
136.17798	0.2
167.07021	0.4
208.14473	4.8
226.15506	100.0
242.05226	0.3
392.11685	0.2
442.67398	0.3
480.95041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31550	0.1
57.54249	0.1
60.80132	0.1
66.42343	0.1
69.03436	0.2
73.50114	0.1
78.04712	0.2
81.03425	0.2
85.02909	1.1
85.65527	0.1
97.02814	0.2
105.07025	0.2
107.04951	0.7
109.02927	0.2
110.63686	0.1
121.06471	0.2
123.04433	0.2
127.03906	0.2
133.06470	0.3
145.04962	0.3
149.05992	1.1
151.07628	0.2
161.05942	0.8
167.07031	100.0
179.07079	0.2
181.04955	6.3
181.08461	1.2
193.08606	3.9
194.50053	0.1
194.54930	0.2
211.09653	24.4
326.51263	0.1
355.13925	0.2
358.72543	0.2
391.13882	0.2
394.40512	0.2
409.14871	2.0
469.44962	0.1
585.78674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18438	2.1
55.01882	2.6
55.95244	2.8
57.03450	3.5
60.51520	2.3
61.02928	3.2
69.03445	23.4
71.04984	3.2
76.28143	2.4
77.59968	2.2
81.03443	19.4
81.07063	11.4
83.08553	2.9
85.02421	4.6
85.02909	100.0
85.03422	3.6
87.00836	45.4
93.07033	9.4
95.08602	26.0
96.24554	2.6
97.02881	34.4
99.04462	19.3
105.01873	58.7
105.07038	3.6
107.08595	10.2
109.02888	38.1
109.10144	26.4
115.03918	2.7
119.08585	5.9
121.10149	4.2
123.11686	4.2
127.03913	72.1
129.01805	3.6
133.10072	3.6
135.11688	16.4
137.05666	2.4
145.04951	18.4
145.10147	4.2
147.11688	10.3
149.13272	3.3
153.12703	4.2
159.02919	6.5
159.11720	3.7
163.14937	3.3
173.13174	4.4
181.79837	3.1
203.17892	4.0
229.15950	2.7
231.04974	24.7
241.19527	10.4
249.06114	13.8
255.21068	3.6
257.22653	5.5
267.21045	5.3
273.22241	3.7
283.62363	2.8
285.22070	36.3
303.23187	47.7
321.24225	20.4
393.10080	5.5
465.28503	3.4
473.24280	2.8
515.26263	4.4
533.27289	11.4
551.28748	16.6
684.53278	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	748.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75838	0.2
67.53076	0.3
69.05382	0.2
73.24577	0.2
84.05634	52.5
92.18462	0.3
117.15414	0.3
144.97559	0.2
152.06583	0.2
167.07007	0.3
208.14453	3.9
226.15503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04559	0.3
60.05663	0.3
73.43922	0.1
76.62886	0.1
76.98426	0.1
77.31615	0.2
84.05637	52.3
91.95492	0.2
93.87074	0.1
123.37572	0.2
148.19310	0.1
208.14461	4.2
226.15508	100.0
243.70238	0.2
352.42740	0.2
355.59680	0.2
439.57407	0.2
630.44330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53617	3.8
53.70969	3.2
58.06200	4.9
61.02925	5.9
65.87132	3.9
69.03439	30.0
81.03419	18.1
81.07082	4.4
85.02914	100.0
85.24080	4.2
87.00838	41.3
97.02878	31.9
99.04460	6.1
105.01868	65.4
109.02887	41.8
109.10143	4.2
119.08549	5.5
127.03918	99.0
133.10104	5.1
142.17619	4.1
145.04990	8.1
145.97211	4.2
159.02930	5.3
231.04999	28.0
241.19844	4.3
249.06099	28.5
257.22595	6.2
285.22113	8.5
303.23282	7.7
375.09161	5.5
392.13531	5.1
393.10330	10.0
404.86838	4.8
411.11441	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	748.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.0
57.03446	20.2
58.38626	1.0
59.98462	1.0
60.23156	1.2
61.02924	6.5
67.05500	1.2
69.03438	36.8
69.07080	16.0
69.67529	1.2
70.06590	4.9
71.01364	1.4
71.04987	5.8
72.08142	5.8
73.02507	1.8
73.02924	42.4
73.74696	1.0
75.04483	21.6
77.25916	1.1
80.17204	1.1
81.03421	6.2
83.04984	19.0
85.02911	77.3
87.04495	1.9
91.03952	5.0
97.02894	100.0
99.04472	2.9
100.11262	10.4
103.98619	1.1
105.07079	1.2
109.02887	8.1
111.04446	19.3
111.11743	2.9
115.03925	38.0
120.08127	5.8
127.03925	23.2
129.05458	9.2
133.04987	7.5
135.04344	1.7
144.08098	1.6
145.04958	27.1
147.06480	1.9
148.03065	1.3
149.10753	6.0
159.06512	5.5
160.29167	1.1
161.10855	1.7
163.03896	2.2
163.06024	9.7
167.07121	1.8
169.04874	2.2
181.04881	2.1
193.04942	1.4
199.06013	1.9
217.07030	1.6
221.12865	2.5
223.06013	2.3
225.07581	17.4
228.13943	1.4
239.29274	1.4
241.07005	5.6
243.08578	9.1
243.15843	1.7
259.08096	11.9
273.09692	5.0
273.17026	1.4
279.10760	1.6
280.14166	2.0
291.10846	2.4
295.10236	51.9
309.11789	6.6
325.11273	11.0
362.76572	1.3
376.22305	4.9
405.14236	1.4
411.36337	1.3
451.50745	1.4
748.32947	10.0
754.11572	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45286	0.8
58.25536	0.7
61.02928	1.2
69.03418	1.2
79.15526	0.7
85.02905	4.5
85.61300	0.7
88.73222	0.6
97.53961	1.0
104.15462	0.7
107.04960	5.0
109.06578	1.0
115.18472	0.7
137.05986	30.9
143.04930	1.3
143.60982	0.9
145.06474	3.3
146.06012	1.2
147.06357	0.9
150.34610	0.8
151.03909	0.9
157.06456	1.0
159.08099	1.1
160.05238	1.1
161.05965	1.1
167.07019	19.3
173.05957	15.8
175.07535	26.4
177.05428	1.4
179.07027	1.6
181.08565	0.8
184.73010	1.0
187.07550	16.9
188.07040	7.5
189.07510	2.4
189.09120	5.4
190.06247	5.1
193.08598	1.1
199.07591	1.3
201.09114	1.0
203.07019	3.9
205.08485	16.3
217.08589	21.0
229.08885	0.9
233.09492	1.1
235.09647	10.3
240.94963	0.7
241.08557	5.2
247.09657	5.8
249.09148	4.7
261.09058	10.9
262.09885	1.6
263.10718	1.5
265.10760	10.5
266.09192	1.1
269.08023	1.6
277.08563	5.6
278.09229	6.2
281.11749	4.8
285.07550	11.0
286.08356	1.1
289.08774	1.8
291.10263	1.9
293.11768	8.0
294.08844	1.6
295.09695	1.1
300.09924	19.3
301.10538	5.7
306.08856	4.3
307.09814	3.2
309.11194	9.0
313.10641	7.2
321.11182	11.1
322.12024	1.4
323.09088	3.3
326.11465	3.6
338.11603	1.8
339.12375	5.7
341.13895	4.3
353.13828	39.6
355.15170	1.5
355.43277	0.9
371.14871	100.0
389.15994	6.6
522.90137	0.9
533.20178	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	748.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78518	0.1
60.05650	0.2
62.47216	0.1
69.16868	0.1
69.49193	0.1
83.35309	0.1
84.05633	25.3
85.06438	0.2
92.18395	0.2
99.45792	0.1
101.34946	0.1
111.46591	0.1
132.07108	0.2
148.07555	0.9
154.37355	0.1
158.81200	0.1
166.08618	0.5
176.07048	0.2
190.70348	0.1
194.08113	3.7
208.10870	2.5
210.12428	0.2
226.11845	0.8
236.10265	1.8
254.11346	100.0
255.11540	0.2
386.09259	0.1
429.39761	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	748.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09164	0.5
55.01872	0.6
61.89450	0.5
64.44012	0.6
65.03948	1.5
67.01162	0.6
69.03448	0.9
70.06573	0.7
71.02213	0.7
75.04482	1.2
78.04702	0.8
79.05488	1.4
81.03426	1.1
85.02900	1.7
91.05489	3.9
93.03394	7.7
93.07041	3.0
95.04977	3.5
97.06526	1.2
103.05467	9.2
105.03395	0.7
105.07021	3.3
106.04188	9.1
107.04964	6.5
109.06538	0.8
115.05475	1.3
117.06998	1.7
118.04150	1.6
121.06509	17.9
123.04411	1.6
124.05198	1.1
125.06009	7.1
131.04013	1.2
131.04935	21.6
131.08580	0.8
133.06487	5.7
134.03630	1.3
135.04405	1.3
135.08032	1.2
137.05952	2.9
139.07507	1.3
144.05840	0.7
145.06534	4.9
147.08046	2.6
148.05208	6.7
149.05988	31.7
151.03920	2.7
151.07545	1.0
152.04697	1.2
153.05490	4.3
153.09090	7.9
157.06476	0.9
159.08017	0.8
161.05977	12.8
163.03909	4.1
163.07526	19.8
165.05464	2.6
167.07037	55.5
171.06514	1.7
173.06013	7.1
175.07538	4.3
176.04628	2.8
177.03938	0.9
177.05473	18.4
177.08971	0.7
179.07034	0.9
181.04951	83.5
181.08513	12.5
187.07562	4.7
189.05484	0.9
191.07030	100.0
192.07817	0.9
193.05009	0.9
193.08600	3.8
195.06499	4.1
198.58456	0.6
201.05489	1.1
203.07056	3.1
205.08615	5.3
207.06465	1.6
207.10226	1.6
209.08086	93.7
210.82684	0.7
217.08604	1.6
219.08209	1.0
219.10144	4.7
221.08038	2.5
223.04221	22.6
233.08124	6.3
235.07480	2.9
235.09668	5.7
237.09007	0.9
263.06567	0.8
263.09161	20.6
265.08710	0.7
267.10150	4.1
279.10172	1.4
281.08139	0.8
295.09677	1.3
297.11130	1.4
307.09689	1.0
309.07916	1.0
312.09073	4.1
325.10757	3.2
330.10226	1.6
355.11749	0.9
357.13248	5.9
369.13559	1.5
371.14972	0.8
385.12723	12.1
387.14410	1.1
399.14276	3.5
417.15408	43.6
437.88153	0.9
519.27545	0.8
609.23517	1.2
748.34937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.4
57.03447	0.9
60.75272	0.9
67.05515	2.0
69.03413	4.5
69.07082	1.0
79.05512	0.9
79.76662	1.1
81.03424	6.4
81.07055	1.9
84.04516	9.1
85.02896	5.0
87.00814	1.4
91.05480	4.1
93.07054	2.3
95.04915	1.2
95.08611	25.0
97.02850	1.9
97.55973	0.9
105.07038	46.8
107.08592	1.1
109.02887	5.6
117.07046	1.4
119.08578	32.2
121.06552	1.6
121.10139	5.0
122.09671	37.3
123.08057	2.1
127.03901	5.6
129.07042	1.2
131.08534	1.6
133.10091	1.5
143.08540	7.3
145.10146	2.4
147.08000	1.1
147.11710	1.4
151.07532	9.9
153.06943	1.1
157.10110	11.4
165.06989	1.5
170.10916	1.1
171.08011	8.3
171.11760	2.3
172.08830	2.2
173.09621	1.1
175.07573	3.6
175.11205	4.8
175.14825	1.0
180.09380	6.1
185.09706	3.6
185.13268	12.8
187.12245	9.4
187.14795	1.3
188.10692	19.0
189.09122	1.2
195.11719	18.8
198.10435	12.2
200.25671	1.1
203.14371	1.8
205.13387	17.5
209.20940	1.0
213.12729	65.4
219.31627	0.9
221.15529	1.4
231.13754	14.3
233.12839	42.8
234.11296	9.2
249.20000	1.0
251.14044	5.1
266.17523	1.3
306.93216	1.0
371.17050	1.2
422.48392	1.0
462.16718	1.2
481.26907	15.9
499.28030	100.0
501.23181	1.5
689.08301	1.1
747.33514	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	746.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31647	0.3
68.02102	0.3
69.03439	0.5
81.62246	0.3
82.62543	0.3
85.02908	1.7
85.68257	0.4
122.02391	0.3
123.03175	0.4
140.03438	100.0
145.10133	0.6
152.85951	0.4
169.10159	0.4
171.11700	0.6
181.10078	0.3
183.11710	0.8
195.11769	0.4
207.11684	0.3
209.13243	0.3
209.47797	0.3
221.13348	0.4
235.14859	0.6
248.26889	0.3
249.78677	0.3
263.18057	0.5
275.17978	0.7
293.19125	0.6
337.21725	0.6
346.20090	0.4
349.21469	0.5
367.22852	0.3
500.88596	0.4
584.28607	26.8
746.33649	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	747.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01749	0.5
58.06612	0.7
59.07256	0.4
62.15066	0.4
85.02847	0.5
97.02926	0.5
98.23859	0.5
151.03947	1.9
160.07581	37.7
170.09686	2.6
174.09207	0.9
186.09149	100.0
187.09933	22.6
187.11526	1.1
203.11801	0.8
217.13269	4.4
218.14114	7.9
226.07970	0.5
284.12384	0.6
311.09390	0.6
371.39529	0.6
451.87094	0.6
550.67603	0.6
747.31293	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45396	0.4
57.30984	0.4
57.46488	0.4
69.03435	0.7
85.02911	2.7
95.08589	0.4
97.02863	0.6
97.06450	0.4
109.10111	0.4
119.08594	0.5
122.02362	0.7
123.03183	0.5
126.61423	0.4
140.03430	100.0
140.58195	0.4
171.11732	0.5
172.48134	0.4
183.11803	0.8
235.14912	0.8
277.19485	1.6
293.67017	0.4
351.23285	2.1
353.20853	0.5
551.63483	0.6
584.28552	27.9
585.34296	0.4
746.33826	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	746.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
61.02911	2.1
64.17307	0.4
69.03433	3.9
70.06593	0.4
72.49651	0.4
72.58866	0.4
73.02928	0.4
81.03402	1.7
85.02906	26.4
87.04459	0.4
91.03963	0.4
97.02885	7.7
99.04444	1.0
103.03920	0.5
107.04936	2.0
108.01265	0.4
109.02925	3.0
109.03566	0.4
114.05375	0.4
121.06504	0.4
123.04411	0.5
127.03923	6.3
131.04910	0.6
137.05957	3.9
144.06595	1.0
145.04941	4.5
149.05975	0.9
153.05499	0.6
155.07068	0.7
161.05971	9.8
162.07610	0.6
163.06033	0.7
163.07516	0.9
165.05479	0.5
167.07031	31.1
175.07523	6.4
178.27789	0.4
179.07048	3.7
183.06613	0.6
188.04671	0.8
191.07005	6.2
193.08597	2.7
203.07021	23.6
205.08588	11.6
209.08058	1.8
211.09602	0.5
221.08018	0.9
223.07622	2.5
233.08171	3.3
235.09552	1.0
237.09138	1.9
247.07507	1.8
251.07005	3.4
255.10159	4.1
265.08563	3.8
267.10098	0.7
279.10089	1.7
283.09637	12.8
293.08032	2.0
295.09604	4.6
297.11215	9.7
307.09604	6.1
310.08420	0.7
314.11563	0.5
315.12234	29.7
321.85773	0.4
325.10696	19.5
327.12311	8.5
329.13510	0.5
337.10507	0.9
339.12299	3.6
342.10992	2.6
355.11685	0.9
357.13318	55.4
369.13339	0.7
371.14841	2.5
375.14365	100.0
387.14270	10.9
389.15903	0.6
405.15390	21.4
746.28229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20388	0.5
66.62115	0.5
69.03427	0.7
69.11435	0.5
71.04977	0.6
79.05474	0.7
85.02919	6.3
85.81299	0.6
97.02884	2.3
105.07037	2.6
107.04967	0.7
115.05466	0.5
131.04898	0.9
133.06503	4.7
137.05971	1.3
149.05974	0.7
153.05440	0.9
157.06522	2.3
161.05966	15.0
163.07541	2.1
167.07040	43.5
175.07539	100.0
179.07014	3.5
185.06020	1.2
189.09138	3.2
191.07045	17.5
193.08614	54.1
203.07037	13.2
205.08598	12.3
209.08105	8.3
217.08580	7.7
221.08148	0.8
222.11179	1.0
233.08240	1.0
235.09637	40.4
247.07532	0.6
251.06999	1.0
255.10172	2.2
263.07211	0.7
265.08572	1.3
267.10147	1.0
279.10208	0.9
282.08701	0.6
283.09601	8.7
293.08112	0.8
295.09601	3.1
297.11240	5.9
307.09653	2.5
315.12228	16.3
323.09122	2.2
324.09970	1.0
325.10712	13.6
327.12289	5.7
329.13916	0.9
332.16028	1.1
337.10645	1.1
339.12180	3.1
355.11765	1.3
357.13297	30.7
371.14880	45.0
375.14389	43.8
387.14465	7.3
389.15936	7.6
405.15466	9.3
746.36566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
57.03439	2.1
57.25099	0.4
61.02936	5.7
62.98964	0.5
66.56744	0.4
67.05508	5.8
69.03426	3.0
69.07058	1.1
73.02923	6.0
79.05493	4.6
81.03433	2.0
81.07059	5.9
85.02914	7.3
91.03963	5.6
91.05492	1.1
93.07058	6.2
94.27967	0.5
95.08614	4.7
97.02904	6.5
99.04485	1.2
101.02399	2.1
105.07022	1.2
107.08601	3.2
109.02901	0.9
109.10159	2.4
115.03989	0.6
119.08607	1.2
121.10119	3.6
123.76672	0.5
127.03929	2.8
127.27664	0.5
131.08574	0.6
131.79608	0.5
133.10104	1.1
135.11682	4.1
145.10187	2.2
163.11188	3.1
185.04279	1.0
203.05273	0.8
219.09911	0.7
227.12869	2.9
243.08412	4.2
249.10977	24.3
278.42255	0.5
305.13718	2.4
335.26013	0.7
418.92789	0.7
467.18954	8.3
519.05280	0.5
519.29224	10.6
583.43665	1.2
745.41296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76005	1.5
61.02927	2.9
67.05512	3.2
79.05481	2.6
81.07073	7.0
85.02902	4.5
91.03977	2.5
91.47893	1.9
93.07062	2.7
95.08585	3.2
97.02892	4.2
100.93147	2.0
109.10124	1.7
135.11739	7.9
154.75957	2.1
163.11234	8.6
227.12854	7.9
243.08299	4.5
249.11015	22.6
372.30038	2.0
467.19022	15.9
493.55557	2.0
519.29272	9.8
565.39087	2.5
745.41370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3733
Annotation	Isothalicrine
Peak:m/z	Relative Intensity
54.13692	0.6
66.08834	0.6
67.59912	0.5
70.06597	45.1
74.06092	2.6
74.49244	0.5
81.47036	0.7
84.04513	0.9
84.08156	11.0
101.07166	1.5
112.07612	100.0
118.68823	0.7
120.08145	1.1
129.10229	10.2
130.08650	6.0
140.07076	97.4
147.11313	7.1
157.09743	37.0
167.11768	0.8
185.09233	1.2
203.10344	4.4
212.13895	0.9
213.12286	1.3
230.15028	2.5
231.09807	1.6
240.13379	6.3
248.16066	6.8
254.11357	0.8
268.12973	13.1
323.17102	1.1
325.15399	0.9
334.14038	1.4
351.16681	9.4
369.17715	1.2
384.24295	0.8
480.21100	0.8
487.57715	0.7
494.62131	0.8
591.08038	1.0
745.37317	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70262	13.5
55.55020	14.9
57.07092	17.3
68.00553	15.9
71.08645	67.3
74.58855	14.4
89.06026	100.0
106.57056	13.8
117.75592	14.1
133.08618	26.4
222.58070	12.3
342.57727	16.9
428.22958	16.6
505.62567	15.4
727.55945	21.2
744.57941	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	744.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.4
55.05517	2.0
56.05043	1.9
57.03443	2.2
57.54005	1.7
57.96172	1.5
58.99957	1.8
60.04250	3.5
60.04532	72.1
69.03423	22.6
69.07087	3.0
70.06580	4.8
72.04500	2.3
72.08150	2.7
81.03432	20.1
81.07079	3.8
83.08607	2.4
85.02907	62.5
87.00826	12.4
93.07041	2.1
95.08608	9.3
96.09172	1.9
97.02895	18.9
97.10139	2.5
99.04471	9.9
102.05545	3.5
104.07095	2.7
105.01868	12.6
109.02875	26.1
110.14093	2.2
127.03915	40.7
129.01814	2.6
139.44702	1.9
145.04974	3.4
159.02921	3.6
160.47565	2.2
163.03868	3.8
165.09084	3.5
177.05492	2.5
262.25259	3.0
263.27942	2.0
271.20496	2.2
280.26440	15.3
298.27530	12.3
298.37543	2.3
316.28540	9.1
334.29559	21.2
430.68619	2.3
582.35107	12.6
744.40112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	40.0
59.07102	1.1
59.07394	26.4
60.08177	48.7
64.39336	0.9
68.48547	0.8
70.06604	7.2
71.07380	1.7
71.81512	0.9
72.08144	1.0
76.42373	0.9
84.04516	6.3
91.05497	4.5
97.05268	1.0
102.05535	2.2
103.05492	2.0
104.06254	13.9
105.07050	1.9
110.06053	6.4
120.08118	26.8
130.05006	1.8
131.04936	19.3
132.08139	1.5
134.09688	1.4
136.07594	18.5
139.66672	1.0
146.06033	2.2
148.06131	1.8
148.07626	3.8
148.11223	5.5
156.12482	1.0
159.08051	1.5
159.10402	1.2
172.11192	1.6
176.10692	16.3
187.07585	1.3
188.10730	18.8
200.10663	8.5
200.60385	1.1
201.11534	4.8
207.15036	4.3
210.89854	1.1
215.08189	1.5
222.12833	1.4
228.10236	1.4
238.12276	1.1
253.43864	0.9
259.18066	8.4
261.85822	1.0
274.71463	1.1
280.57651	1.0
290.15604	1.3
335.17612	2.2
345.16122	1.2
716.35706	1.1
744.36047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81343	0.8
52.20264	0.9
53.03953	3.9
55.01866	1.9
57.03440	4.9
61.02929	2.3
67.05518	2.1
69.03434	24.4
69.07065	1.4
70.06603	1.7
71.04997	2.3
72.08154	2.2
73.02914	5.7
79.05497	6.1
81.03431	16.4
81.07071	93.0
84.08180	1.0
85.02917	100.0
85.96211	1.0
86.09718	1.2
87.00834	42.9
95.08620	14.9
97.02304	1.9
97.02904	41.2
97.06547	1.0
99.04463	15.8
103.03936	1.1
105.01880	92.3
109.02889	41.9
109.10191	1.8
121.44659	1.0
123.04423	1.2
127.03923	96.8
129.01862	2.3
137.13255	17.1
141.91277	0.9
145.04959	26.3
147.02852	3.4
157.66856	0.9
159.02930	9.3
167.07085	2.1
189.03857	1.0
213.03952	9.0
231.05025	48.3
249.06071	32.9
253.07089	3.7
271.08151	2.4
281.90143	1.2
333.48764	1.0
357.08139	2.0
375.09088	8.4
393.10309	44.1
407.37973	1.0
411.11349	35.4
737.01489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20008	2.6
65.45671	2.5
69.03425	13.6
73.02905	4.0
81.03411	6.8
81.07058	5.5
84.05177	2.7
85.02908	100.0
86.09712	3.3
87.00818	16.5
97.02876	15.9
99.04449	11.9
105.01842	26.7
105.43008	3.1
109.02883	21.1
127.03900	45.6
129.01808	3.6
130.56750	3.1
141.01819	18.4
145.04903	5.2
147.08028	4.3
149.09593	38.5
152.37440	3.5
159.02907	6.1
175.11171	5.9
183.37389	3.0
189.12695	33.1
222.67162	3.3
231.05084	11.5
249.06189	6.3
271.20651	4.6
285.22079	15.2
301.21622	20.4
303.23135	20.9
389.06909	3.8
533.27563	6.5
635.91254	3.4
744.34021	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3065
Annotation	Diarctigenin
Peak:m/z	Relative Intensity
53.21581	1.8
56.25651	1.5
56.68208	1.6
62.22277	1.5
65.44006	1.8
70.06570	2.9
72.08157	15.5
76.34906	1.8
84.08141	8.8
85.02906	2.6
107.33356	2.1
112.11272	8.3
129.13892	3.2
197.02834	2.3
216.06490	2.8
221.02968	2.0
233.09454	6.5
236.85893	2.2
242.10533	7.8
254.08473	24.2
257.09268	5.0
258.07684	7.6
268.10037	2.5
275.10544	3.0
292.10306	3.2
314.15115	7.5
315.13388	51.4
329.14975	4.5
332.16068	7.8
333.14502	14.3
384.15677	8.5
502.39612	1.9
565.76959	2.2
743.30676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	39.9
59.07391	29.0
60.08173	51.1
70.06576	3.2
78.16422	2.3
79.24089	2.5
83.63454	2.0
84.04504	4.9
84.78748	2.1
85.02904	3.5
91.05489	2.6
104.06248	11.1
110.06078	4.0
120.08092	21.4
127.03951	2.5
130.05020	11.0
131.04947	18.3
136.07596	13.2
147.07703	10.2
148.11221	5.7
176.10699	14.5
188.10695	14.2
200.10773	10.6
207.14998	2.9
228.10172	3.3
259.18155	10.9
261.19672	2.5
307.14185	2.5
345.15826	4.0
359.30841	2.6
521.25830	2.5
595.35565	2.5
715.38593	2.7
743.37671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80868	0.5
61.85524	0.4
61.88716	0.4
63.89991	0.4
69.03411	2.1
70.06583	1.8
71.30096	0.4
72.08156	4.9
73.02911	1.7
75.05608	0.5
76.56767	0.4
81.03401	2.4
85.02905	6.0
86.09698	1.1
87.04447	0.4
88.68013	0.5
89.03890	0.6
89.10768	0.9
91.45188	0.4
97.02878	2.4
98.06024	0.6
107.04939	0.5
109.02866	2.5
115.08637	0.7
127.03915	2.9
132.85222	0.4
135.04407	2.4
139.03932	2.0
141.05472	6.8
144.08041	0.7
145.02870	5.1
151.03920	4.2
163.03902	100.0
167.07048	1.8
169.04956	26.2
170.05800	0.6
176.07086	0.6
195.06502	1.0
203.09421	1.1
211.03949	0.6
226.15536	0.9
229.04919	0.6
231.06656	0.5
233.10455	1.1
234.11292	2.1
234.13570	0.6
239.03407	3.1
239.16415	0.5
243.06538	1.0
251.13919	0.7
253.04987	3.4
255.06584	0.8
267.02884	5.3
271.05966	3.9
281.04514	2.6
283.06055	3.1
285.03915	1.0
297.22827	1.8
299.05518	37.1
313.07025	7.4
317.06464	0.6
331.08215	2.3
337.89621	0.5
359.11438	0.6
360.11774	0.5
370.12897	0.8
419.18088	4.5
506.23196	0.5
545.21161	1.1
549.20728	0.5
581.23444	35.4
743.28796	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	743.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64942	0.3
53.16439	0.3
53.18049	0.4
55.06713	0.3
56.71699	0.4
57.03436	0.5
59.70852	0.4
61.02940	0.4
61.22203	0.4
62.79420	0.4
69.03430	1.7
70.06590	0.8
72.08158	4.0
73.02252	0.4
81.03424	0.6
83.04977	0.5
85.02904	4.0
86.09705	1.0
86.22003	0.4
89.03914	0.5
89.10784	0.8
96.39053	0.4
97.02890	2.6
98.06064	1.0
101.40779	0.5
109.02879	2.9
115.08700	0.5
117.03394	0.7
127.03938	2.1
134.29431	0.4
135.04430	3.0
139.03893	1.1
141.05457	5.5
145.02870	5.2
145.04950	0.4
151.03864	0.8
159.53424	0.5
163.03906	100.0
169.04968	25.5
169.06093	0.6
171.06503	0.5
179.03404	0.6
211.03885	0.6
234.11258	2.2
239.03409	2.6
243.06641	1.0
251.14053	1.6
253.04974	3.3
255.06592	1.8
267.02866	4.6
270.61212	0.4
271.05917	3.4
281.04483	0.6
283.06064	2.7
285.04123	0.9
285.07336	0.7
299.05505	38.5
313.07071	8.6
314.28925	0.5
327.49405	0.4
331.08167	2.4
341.06699	0.5
402.15808	0.8
419.18243	4.5
549.94220	0.5
581.23438	32.4
694.29340	0.5
742.80811	0.5
743.28711	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	743.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64661	1.7
56.13535	1.6
60.13176	1.9
68.01715	2.0
69.51589	2.0
87.99444	2.5
107.04948	11.4
133.02910	2.7
145.06474	2.7
148.05171	3.2
151.40417	2.1
165.05461	10.0
167.07059	25.4
171.06471	2.4
173.05930	8.6
175.07510	4.5
181.04955	100.0
187.68486	2.0
197.08109	15.5
201.05420	2.2
203.06958	3.2
205.08528	3.2
207.06552	2.9
207.34212	2.2
233.08073	8.0
235.09686	10.7
252.89781	2.2
267.08667	3.4
357.13287	3.9
385.12640	8.7
387.14075	3.1
397.12912	8.0
415.13815	14.0
418.02551	2.1
457.14883	14.9
511.76254	2.2
683.23431	42.8
710.80359	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	742.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
55.05510	6.3
57.03442	6.1
67.05508	9.4
69.03431	2.5
69.07062	5.0
70.06595	2.2
70.60081	0.9
71.04993	4.0
74.44797	0.9
79.05511	8.9
81.03427	27.7
81.07064	11.3
83.04991	1.9
83.08632	12.5
85.02916	1.7
85.06541	1.4
86.09711	1.1
89.96259	1.2
91.05493	6.7
93.07047	9.3
95.04967	14.4
95.08605	6.6
97.02943	1.1
97.06538	1.8
97.10184	11.9
105.07030	5.7
107.04974	7.9
107.08595	10.3
109.06535	12.0
109.10168	6.4
111.04461	1.5
111.08061	2.5
113.10045	1.0
117.07036	1.8
119.08580	6.7
120.29442	1.2
121.06508	6.0
121.10172	10.1
123.04382	1.5
123.08088	4.2
125.09639	17.2
129.06987	2.3
131.08592	8.6
133.06485	2.0
133.10136	6.7
133.75542	1.2
135.08098	6.5
135.11742	1.8
137.09648	2.0
139.11180	4.2
145.06516	4.3
145.10115	4.7
147.04439	1.4
147.08087	4.5
147.11685	5.8
149.09645	6.7
153.09114	2.3
155.08537	1.3
157.10176	8.3
159.11714	2.1
163.11171	5.5
165.12807	1.6
167.10762	1.3
169.10129	1.1
171.10172	2.5
173.13310	2.4
175.11211	7.2
177.12761	1.9
185.13327	1.4
187.14777	1.1
189.11220	4.9
191.14314	4.3
193.12268	21.1
197.13243	1.1
199.11259	1.4
203.14073	1.1
205.12250	1.6
211.13156	1.3
219.13788	8.2
231.13705	1.5
233.15396	2.2
237.12762	2.0
243.13899	1.1
255.13914	2.4
257.15347	1.9
259.15448	2.0
267.15891	31.4
273.14752	9.2
275.16306	1.4
290.23746	1.2
293.17389	1.9
316.36102	1.1
339.23349	2.4
349.21674	2.0
352.74844	1.1
357.24234	1.7
367.22775	9.7
385.23810	17.5
403.24646	2.4
441.26175	7.6
451.26947	6.2
459.27414	71.3
477.28473	100.0
491.30161	9.6
495.29578	10.5
509.31140	6.1
521.86951	1.2
543.30194	1.3
772.30933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
53.60495	1.4
55.01868	2.4
57.03466	2.7
61.02910	2.1
64.12196	1.8
69.03442	17.2
70.06583	3.0
73.02914	3.8
81.03422	12.9
83.35014	1.8
85.02905	100.0
87.00842	19.3
91.09505	2.0
97.02890	20.4
98.46715	1.8
99.04454	10.9
101.09067	2.0
103.03905	3.4
105.01852	25.2
107.04964	24.3
109.02863	20.8
119.04957	7.5
121.06499	21.2
127.03927	44.7
127.15543	2.1
129.01875	7.0
133.06465	4.0
141.01860	15.1
145.04927	8.8
145.06525	3.7
147.08080	8.4
150.48811	2.1
159.02890	8.4
159.08130	14.0
189.03981	3.6
204.56049	1.9
208.83527	2.0
225.09125	41.2
227.10667	7.7
231.04985	10.4
239.10657	3.6
249.06151	8.8
249.09207	2.5
251.10800	2.8
253.12230	28.5
271.13284	36.9
277.12241	2.0
283.13364	3.8
285.14771	3.0
295.13303	12.5
313.14352	11.4
337.14362	9.9
371.06180	2.3
379.15472	3.0
407.08069	7.6
425.09326	3.7
429.15152	3.6
465.15518	4.8
483.16373	23.3
501.17578	21.1
519.18555	14.0
729.23322	2.3
742.24969	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	742.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02950	3.6
63.80522	3.2
67.13663	3.3
69.03419	9.6
70.06600	3.6
73.02946	4.6
81.03417	8.1
85.02905	100.0
87.00842	8.7
91.88529	3.5
97.02882	16.3
99.04450	5.9
105.01871	25.5
106.37994	3.6
107.04953	45.1
109.02877	23.4
109.03621	5.2
120.96028	4.3
121.06506	17.6
127.03943	40.9
131.04996	5.3
131.30710	4.1
133.06482	7.6
141.01787	15.1
147.08049	30.8
159.08034	16.9
167.07033	4.1
225.09113	49.2
227.10672	7.9
231.04953	6.0
239.10667	6.3
240.62030	3.8
251.10933	3.8
253.12238	37.5
271.13449	36.6
283.13354	5.4
295.13345	9.2
305.77911	4.0
313.14355	15.5
329.89587	3.9
337.14609	5.6
483.16449	17.4
501.17798	19.2
515.76935	4.5
519.18414	14.8
571.20886	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	741.203
Annotation	Kaempferol 3- [ 6'''-p-coumarylglucosyl- (1->2) -rhamnoside ]
Peak:m/z	Relative Intensity
53.00319	0.2
55.75253	0.2
55.92274	0.2
65.03964	0.3
69.03425	0.8
71.04970	0.3
77.58097	0.2
81.03434	2.4
83.04986	1.3
85.02908	1.3
91.05479	2.1
97.02885	1.4
107.04975	1.4
109.02897	1.5
111.04433	0.8
119.00158	0.2
119.04947	8.7
119.48665	0.2
127.03955	0.7
147.04419	100.0
151.03940	1.6
161.05963	0.5
165.05484	6.3
169.05028	0.4
181.32585	0.2
213.09271	0.2
257.08069	3.0
275.09332	0.3
287.05505	6.7
291.08649	2.6
293.10153	0.4
299.05374	0.5
309.09735	4.2
325.07138	0.4
329.06598	3.4
353.06476	0.5
379.08035	0.3
397.09204	1.0
401.12335	0.3
415.10379	0.5
419.13354	0.8
433.11234	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	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
55.05514	6.4
57.03442	7.1
67.04744	1.2
67.05185	1.4
67.05513	26.8
69.07065	7.2
71.04979	1.3
79.05499	18.7
81.07062	31.4
83.04985	2.0
83.08625	8.0
89.62617	1.0
91.05478	6.4
93.07042	30.6
95.04967	1.6
95.08608	42.5
97.02895	1.9
97.06528	2.3
97.10160	1.3
99.04454	1.4
104.61585	1.1
105.07025	8.4
107.04945	6.0
107.08600	28.9
109.10152	11.4
117.07002	4.3
119.08575	13.6
121.06496	2.6
121.10143	19.6
125.05971	1.4
131.08560	2.6
133.10114	4.9
135.11696	63.2
135.12740	2.5
139.07555	1.6
145.10124	28.5
147.11682	1.6
149.13289	2.0
159.11716	2.0
161.13300	2.5
163.11182	80.5
173.09613	1.2
173.13177	1.5
180.70171	1.1
181.12262	12.0
195.33592	1.1
209.11613	1.8
210.77597	1.3
227.12779	54.5
243.21088	1.2
261.22073	5.1
283.15381	83.6
325.92139	1.2
328.51755	1.2
335.25790	66.9
359.16525	1.2
543.36816	100.0
561.37665	1.9
586.74072	1.6
718.10254	1.1
736.55408	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	738.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24271	2.6
58.89984	2.8
59.30289	2.9
60.08185	3.2
70.32449	3.1
72.52982	2.6
73.33611	2.9
86.09735	27.6
114.02240	3.1
118.14790	3.1
124.99966	3.8
184.07344	100.0
374.16824	4.8
688.45551	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	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.0
57.03443	5.2
67.05511	31.0
67.97379	2.0
68.02025	1.7
69.07073	8.0
69.32784	1.7
77.68275	1.8
79.05499	19.1
81.07071	40.6
83.08631	4.0
91.05484	5.1
93.07037	37.6
95.04984	2.4
95.08611	49.2
97.02875	2.8
99.04496	3.3
105.07036	10.7
107.04980	2.5
107.08593	31.4
109.10115	15.1
117.07039	4.3
119.08581	11.1
121.10143	25.3
125.55114	1.9
131.08588	5.1
133.10127	5.0
135.11697	47.6
145.10124	28.6
149.13255	2.4
163.11179	66.1
169.99570	2.2
181.12274	3.2
181.44572	3.0
227.12759	40.6
250.66612	2.1
261.22144	8.1
283.15405	45.9
335.25827	87.0
543.36847	100.0
764.35205	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	738.316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39484	0.5
54.69577	0.5
56.05043	24.3
60.04240	1.1
60.04533	18.7
61.01162	8.2
70.06596	1.3
72.08146	1.5
84.07376	0.7
84.08153	19.0
84.21341	0.7
86.06076	1.1
86.09692	0.9
87.05605	1.5
89.88701	0.8
97.07651	0.7
102.05542	2.5
104.05336	100.0
112.06731	0.7
114.05579	1.6
129.10236	15.2
130.08638	11.5
132.04872	0.7
141.06564	1.0
142.06903	1.0
143.08171	7.8
147.11301	7.5
148.18193	0.7
170.06374	1.1
173.09308	0.7
173.12799	0.8
183.07640	8.8
187.09032	2.7
188.07451	1.4
191.08516	6.4
201.08719	15.7
219.08009	3.3
233.09500	1.5
235.09390	1.7
238.11906	3.5
240.13499	3.1
256.12909	0.8
258.14450	7.6
261.09189	0.8
262.63147	0.7
276.15637	1.6
298.00989	0.8
304.13300	0.9
314.11612	1.5
332.12753	2.6
342.54382	0.8
415.05243	0.8
463.17035	1.1
526.01025	0.7
738.31610	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77908	0.5
55.44097	0.6
70.06605	5.5
72.08156	2.2
75.09302	0.5
77.38824	0.6
80.21366	0.5
84.08176	0.9
85.32685	0.5
86.09731	0.6
89.02350	0.6
98.07187	0.7
143.06889	0.8
145.02901	0.7
163.03920	3.9
177.09099	0.7
191.07091	0.7
203.05354	1.9
209.08134	0.7
220.09734	1.2
222.11314	0.6
261.49396	0.6
325.19739	0.6
363.12115	0.8
364.12881	1.0
365.14050	0.7
369.12976	0.7
388.14731	0.8
395.14746	3.7
413.16107	0.8
559.17334	0.8
575.21057	14.5
575.29449	1.1
737.26288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22558	0.7
62.17941	0.8
66.80551	0.7
67.49866	0.9
70.06588	2.0
70.24046	0.9
72.08130	1.1
76.02239	12.4
84.04514	1.7
85.02898	1.3
88.02237	7.7
91.05492	3.7
93.03433	1.0
93.07021	1.2
94.76634	0.7
105.03431	1.0
114.05121	0.8
116.01675	3.9
116.05325	19.5
119.04956	9.1
121.06470	1.6
126.85254	0.8
130.05052	1.1
131.04973	1.6
144.01120	1.9
144.67476	0.8
147.04427	1.0
149.06010	7.3
151.07515	4.9
161.06021	0.9
162.02203	10.9
162.16313	0.9
167.07123	1.5
177.05528	1.9
179.04866	6.8
179.07005	1.4
181.08655	4.4
191.07077	3.3
192.07806	1.1
207.08965	1.4
209.08086	10.5
214.33682	0.8
217.08571	4.7
217.15987	0.9
223.04195	7.4
230.33511	0.8
233.05989	1.1
251.09099	6.4
280.04578	12.0
296.04105	92.0
307.09625	1.4
308.09113	24.8
322.05786	5.0
324.03619	20.1
325.04437	4.0
326.05170	6.2
369.11334	5.1
371.14984	5.3
387.35867	0.9
400.93024	0.9
458.09424	72.2
484.10764	1.1
486.08896	17.0
498.15195	3.0
516.11401	10.6
678.17010	1.9
738.18805	100.0
760.71716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43938	0.1
72.08163	0.4
75.60132	0.2
89.88753	0.2
96.12034	0.2
97.43996	0.2
103.33478	0.1
109.45975	0.2
110.15804	0.2
117.07041	0.2
118.06545	3.3
119.04940	0.2
132.08109	2.4
142.06548	0.3
144.04440	0.3
144.08090	6.5
144.12971	0.2
146.06021	42.2
147.04427	1.4
159.09198	4.5
160.07697	0.3
170.06033	2.0
188.07079	100.0
205.09740	42.6
214.16371	0.2
359.58887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
55.13820	1.5
61.20963	1.8
62.13642	1.7
73.73005	1.6
87.14554	1.6
92.17934	2.6
102.75728	1.9
107.04959	9.9
135.08060	100.0
173.09651	11.6
209.11710	51.4
238.21815	2.5
278.68958	2.1
292.33090	2.7
309.21423	1.9
338.03757	2.2
483.43027	2.3
567.29486	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	735.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
54.22124	0.6
55.01869	0.7
55.05512	1.2
57.03439	5.1
58.56483	0.6
63.32936	0.6
69.03438	3.4
69.07082	5.9
71.05001	29.8
75.04485	0.8
81.03481	0.7
81.07076	10.5
83.04984	4.6
83.08623	0.8
85.02912	38.0
87.04456	0.8
91.05488	0.9
93.07053	1.4
95.08598	6.3
97.02898	3.1
99.04462	1.3
99.08085	0.9
105.07035	4.5
107.08586	4.2
109.06526	1.4
109.10186	1.4
111.04447	8.0
111.08073	1.2
113.06007	0.9
119.08603	2.8
121.10176	3.8
123.11720	1.3
127.03957	1.0
129.05475	7.6
131.08583	6.5
133.10155	4.5
135.11700	3.2
139.11201	3.5
143.08598	1.5
145.10147	3.7
147.11684	2.6
153.12793	4.1
157.10153	7.5
159.11742	3.1
171.11726	4.5
177.12782	3.8
179.14334	1.1
185.13264	1.2
195.13797	1.5
197.13303	0.8
211.14919	5.6
213.16385	26.0
213.18242	1.1
223.14842	1.3
251.18042	1.5
279.21088	1.1
286.36505	0.8
329.30524	0.8
331.25937	0.7
339.57022	0.9
379.25510	0.8
391.29800	0.9
402.00421	0.8
472.85883	0.9
735.43152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70745	1.2
53.03970	1.7
56.29003	1.3
57.03445	1.7
59.68650	1.4
61.21769	1.8
62.38870	1.5
64.63097	1.4
69.03444	13.1
70.06592	2.3
72.04527	2.6
72.08157	9.3
77.77326	1.6
79.05505	1.7
81.03410	5.5
84.08131	2.1
85.02903	18.5
87.04459	2.0
91.05490	2.1
93.07061	19.1
97.02905	8.2
99.04499	2.2
104.14785	1.7
105.07005	2.1
107.08588	16.5
109.02887	10.0
112.35693	1.8
113.10771	42.6
114.09171	77.5
114.10350	2.5
115.08666	12.1
127.03928	15.0
127.04769	1.5
127.60019	1.8
131.11809	8.1
145.04999	1.8
156.11333	49.3
173.13985	64.3
187.06099	1.8
214.86180	1.7
284.62085	1.7
422.62335	1.9
500.22629	1.7
571.32477	1.7
627.90637	1.7
691.37616	8.2
735.23419	3.2
735.36670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94395	0.2
58.06593	0.6
73.04227	0.3
84.24890	0.3
84.37349	0.3
107.56067	0.3
118.84183	0.3
144.08093	30.9
145.08871	1.2
158.09615	2.1
159.10434	0.4
170.09647	100.0
171.10422	19.9
187.12259	1.2
201.13905	4.9
202.14648	9.9
735.32343	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86562	0.2
69.03423	0.3
70.06602	1.5
72.08153	1.6
82.43558	0.2
84.08161	0.3
85.02898	1.4
97.02906	0.3
104.30885	0.2
105.07030	1.8
123.04423	1.1
133.06482	3.8
136.03928	0.3
143.08531	0.3
145.06503	0.3
151.07568	2.8
161.05969	6.7
163.03889	0.4
165.05469	1.4
167.07036	9.6
171.08028	0.5
175.07584	1.5
177.09103	100.0
181.08525	0.3
193.08604	61.4
195.10181	8.2
196.13866	0.3
203.10699	1.7
209.08067	0.5
221.11717	18.0
222.11281	6.7
270.93961	0.3
272.26126	0.2
357.16907	1.7
375.18008	19.9
393.19077	16.2
716.28790	1.3
734.32349	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	734.381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
57.03438	1.9
59.85895	0.7
59.86243	0.7
61.02934	6.1
61.16592	0.7
62.03937	0.8
69.03436	7.9
69.07059	1.3
73.02911	1.0
81.03420	4.4
81.07047	1.4
83.08620	1.5
85.02910	100.0
87.04453	1.6
91.03951	5.7
95.08604	1.4
97.02896	22.1
97.10173	3.2
99.04447	1.5
107.08588	1.4
109.02928	8.1
121.10189	1.5
127.03043	1.5
127.03916	28.5
129.74620	0.9
135.11726	0.9
137.05971	4.0
145.03876	1.8
145.04970	34.9
145.06120	1.3
153.16370	1.4
163.06015	12.1
177.16406	10.4
195.17482	4.5
201.05489	3.6
202.05951	1.0
205.42841	0.8
213.18484	19.0
231.19579	3.2
277.08600	1.8
289.09052	3.1
290.05753	1.4
291.05991	1.2
305.08102	5.5
306.08447	5.1
325.11282	52.3
337.10684	3.8
338.11108	2.0
355.11768	4.3
356.12146	5.2
448.75333	0.9
734.32465	1.3
753.97748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69818	3.8
56.47042	3.3
57.07085	36.3
60.41577	3.8
65.44506	3.3
71.08633	32.3
73.06587	4.1
74.30752	3.0
85.10186	16.6
87.04437	4.4
89.06047	100.0
121.31803	4.0
125.33370	3.8
133.08618	23.2
177.11230	16.7
241.88896	3.9
257.24619	5.2
293.58109	3.9
301.27426	9.1
715.52246	32.9
732.54663	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20601	1.6
55.11795	1.5
92.18410	3.3
121.01878	2.0
133.02876	4.1
137.05966	3.2
147.04396	3.1
161.06004	3.3
165.13701	1.9
167.07004	4.6
181.05006	4.0
192.05605	2.0
193.31233	1.9
205.08635	2.4
215.07150	2.7
229.08650	4.4
230.09476	3.9
231.10197	7.0
241.08542	13.8
245.08162	2.0
246.08939	2.2
247.09705	3.1
248.08315	7.9
260.08447	2.8
261.09140	8.2
275.06976	2.6
276.07895	2.2
277.08469	2.7
278.09427	8.7
279.10144	2.6
286.08270	2.3
288.07806	3.3
289.08426	3.8
293.11737	3.1
301.10675	1.9
303.10083	2.4
305.08075	4.2
306.08835	19.2
307.09726	11.6
308.10529	4.6
320.10474	4.1
321.11264	30.2
322.12079	3.7
323.09125	3.3
329.06635	2.4
329.10013	14.2
334.08435	12.8
335.09149	8.7
336.09906	3.2
338.11545	3.1
345.09726	7.5
349.10727	33.6
350.11655	6.0
351.08707	7.1
352.09451	2.8
366.10834	20.8
367.11658	7.9
381.13354	100.0
399.14362	21.0
409.12564	3.0
441.15411	64.7
459.16473	29.9
501.17569	4.5
503.00912	2.2
519.18542	2.2
636.22260	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	732.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03857	0.9
58.06612	11.0
65.24913	0.9
70.06582	1.7
70.22853	1.2
72.08163	20.5
74.15819	1.0
88.07629	5.0
90.09193	41.4
92.19623	1.1
102.09183	4.1
107.04953	10.5
125.19828	1.0
135.08060	93.9
144.45528	1.1
147.08115	1.3
161.09613	4.9
163.15387	1.4
173.09599	11.5
179.61057	1.1
191.10648	11.7
209.11687	9.8
325.18063	2.3
521.61755	1.2
528.67371	1.1
704.83557	1.4
732.41077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	1.0
69.26756	0.5
70.06593	6.3
72.08157	10.1
75.09238	0.5
84.04509	1.2
84.08157	5.3
84.36097	0.5
85.86122	0.5
87.09248	0.9
87.94012	0.5
90.62895	0.5
98.09674	0.7
100.07626	0.8
110.09704	0.7
112.11244	6.4
113.07097	1.1
129.13907	5.2
132.04419	3.8
135.92400	0.5
136.03935	2.1
141.10220	0.6
145.02873	3.0
146.06003	5.1
146.16548	1.1
155.11804	5.0
158.06039	5.3
163.03902	65.6
165.05470	0.7
173.07170	3.0
175.08711	0.8
177.18840	0.5
188.10843	0.9
202.05025	3.2
211.07169	1.2
219.11224	0.9
220.09688	100.0
221.02730	0.8
222.11275	1.5
236.12891	2.9
252.06801	0.8
254.08450	0.8
265.15640	0.7
278.08252	1.2
279.17197	0.8
291.17108	2.8
292.09976	1.0
293.18674	1.2
294.07660	2.1
302.07947	0.6
308.20071	0.7
309.20425	0.7
310.21381	3.2
319.10791	2.4
320.09222	2.7
325.15747	1.9
342.18604	3.4
391.16528	0.7
440.24268	2.8
441.25351	0.7
448.22449	0.9
465.25253	0.8
504.42886	0.6
511.59033	0.6
552.25684	0.9
570.29974	0.7
714.27942	15.9
732.32050	61.6
735.64783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69269	0.2
59.31450	0.2
66.78400	0.2
69.03426	0.6
70.06595	0.2
72.08128	0.2
73.02952	0.2
79.05493	0.4
81.03428	0.4
85.02914	2.8
86.80095	0.2
91.05505	0.2
93.07011	0.4
95.04915	0.2
97.02903	0.8
103.05479	0.3
105.07037	2.8
107.04974	1.3
109.02859	0.2
115.05429	0.3
117.07015	0.3
119.04969	0.2
121.06509	1.5
123.04454	0.4
127.03947	0.7
129.07013	0.4
131.04904	0.7
131.08527	0.4
133.06490	4.8
135.08066	0.7
137.06003	1.3
138.06793	0.2
143.08519	0.3
145.04974	0.4
145.06485	0.7
147.04393	0.2
147.08023	0.3
149.05960	0.6
151.07542	6.0
153.05470	1.3
157.06473	1.9
161.05974	9.8
161.09616	1.0
163.00645	0.2
163.03937	0.3
163.07536	2.8
165.09100	1.2
166.06223	0.3
167.07040	14.4
171.08070	1.1
174.06792	0.4
175.07536	3.3
177.09105	100.0
178.06230	0.3
179.06972	0.2
179.10655	0.3
180.08704	0.3
181.08595	13.8
187.07582	0.2
188.08302	0.2
189.09103	12.0
191.07057	1.8
191.10690	0.3
193.08604	55.5
195.10146	3.9
197.09633	0.4
201.09091	0.2
203.10666	2.0
207.08421	0.2
207.10178	1.6
209.09608	0.2
219.10190	0.8
221.11726	22.9
225.09131	1.4
229.12396	0.4
251.06995	0.3
251.10674	1.0
253.08505	1.5
255.10158	0.3
257.11716	2.8
263.10773	0.2
265.08545	0.2
267.10144	0.3
270.08780	0.2
271.13269	0.3
279.10153	0.8
283.09668	1.8
283.13303	1.2
285.11194	4.2
285.14203	0.2
295.09274	0.2
297.11224	1.0
299.12836	0.3
302.11517	0.6
309.11273	1.4
311.12741	0.9
314.11349	0.3
315.12241	2.8
317.13803	2.8
327.12424	0.2
329.13974	0.8
341.13937	1.1
343.15387	1.9
357.17007	1.1
361.16449	33.8
373.16473	3.0
375.18024	10.8
375.22867	0.3
534.75525	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.5
69.03442	3.3
70.06565	0.4
81.03425	1.5
85.02908	16.2
91.03915	0.6
91.05450	0.4
93.07057	0.7
97.02889	6.5
99.04471	0.6
101.95898	0.4
105.07058	0.4
107.04922	3.1
109.02872	1.7
121.06487	1.9
123.04378	0.5
127.03899	3.6
129.06972	1.8
131.04938	1.6
131.08530	1.7
135.08025	0.4
137.06006	3.8
144.06599	0.4
145.04950	2.5
145.06458	0.6
149.05983	0.9
151.07529	5.2
153.04323	0.4
153.05481	2.6
157.06485	3.8
159.08009	0.6
161.05949	5.2
161.09584	1.7
163.06209	0.6
163.07520	5.5
165.09103	2.3
166.06329	0.6
167.07034	17.8
170.96460	0.4
174.06735	0.7
175.07527	3.9
177.09123	7.9
179.06923	0.5
179.08467	0.4
181.08589	30.4
187.07487	0.5
189.09105	25.4
191.07057	1.8
191.10710	0.6
193.08594	3.7
201.09062	0.6
203.10713	0.5
207.10193	2.9
219.10146	1.9
221.05923	0.5
221.11742	1.5
225.09100	2.5
239.10612	0.7
251.06950	0.7
251.10652	1.6
253.08588	4.1
255.10153	0.5
257.11673	4.5
267.10300	0.5
270.08850	0.7
271.13275	0.7
279.10052	2.0
283.09695	3.2
283.13248	2.7
285.11200	8.9
296.10477	0.5
297.11057	0.4
299.12772	2.1
302.11395	0.8
309.11292	0.5
311.12714	2.2
315.12286	6.3
317.13818	4.7
329.13840	0.7
331.15414	0.7
343.15436	2.7
361.16452	100.0
373.16632	3.2
427.61508	0.4
549.36938	0.4
745.72632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51260	0.4
58.06584	1.1
61.32360	0.4
70.06602	6.7
72.08160	12.4
84.04525	5.1
84.08138	5.6
87.09212	0.6
89.03850	0.6
89.89462	0.4
94.11693	0.4
97.26145	0.4
98.06017	0.6
98.09644	0.7
100.07598	0.7
110.06017	0.7
111.65456	0.5
112.11253	7.2
113.07098	0.9
123.04404	0.6
129.10262	0.6
129.13910	4.4
130.06555	0.5
132.04456	1.9
135.04424	2.2
136.03935	2.7
145.02892	3.3
145.03857	0.5
146.05978	1.2
146.16539	1.0
155.11800	4.0
158.05986	2.6
163.03900	71.6
165.05411	0.8
172.14421	1.0
173.07092	0.6
175.07452	0.7
179.01514	0.7
188.10727	0.7
193.06070	1.1
193.08524	0.8
195.01019	0.6
202.04976	0.8
211.07219	3.3
219.01053	0.6
219.11244	0.8
220.09694	100.0
221.02907	0.8
222.11215	2.8
236.12860	3.1
252.06836	3.4
265.15463	0.8
266.08206	0.6
268.09921	3.2
291.17111	2.4
291.56656	0.5
292.10037	2.2
293.18692	2.2
308.19675	0.4
309.20346	0.6
310.21347	2.8
318.07550	1.1
319.10620	0.7
320.09216	1.9
325.15753	5.0
342.18536	8.2
355.15485	0.9
375.13690	0.7
471.23529	0.5
494.76907	0.6
535.22296	2.2
552.24884	2.9
590.23633	0.6
714.27966	33.3
732.30841	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	2.0
61.86053	0.5
69.51702	0.5
69.86854	0.4
70.06601	5.7
72.08165	9.2
84.04511	3.1
84.08152	6.3
86.97315	0.6
87.07921	0.5
89.03990	0.7
98.06050	0.5
98.09694	0.6
105.18550	0.5
112.11247	7.5
112.35287	0.5
117.03354	0.7
119.15934	0.6
129.13896	3.8
130.04996	0.6
135.04422	2.0
136.03973	3.1
145.02902	3.3
145.11295	0.6
155.11833	3.0
163.03902	70.0
177.27155	0.5
193.06169	1.1
195.01067	0.6
197.02655	1.0
211.07225	2.8
219.11371	0.9
220.09688	100.0
221.02740	1.0
222.11450	1.2
236.12857	0.5
266.08362	0.8
268.10095	3.2
291.11273	1.2
291.16937	1.1
292.10071	3.8
295.05948	0.9
307.46271	0.6
309.12817	0.6
319.10641	0.9
320.09207	0.7
325.15811	5.1
342.18497	6.9
351.38974	0.6
391.16510	0.8
441.24664	1.0
465.25012	0.7
535.22083	2.0
552.25165	3.0
570.30194	0.7
571.93030	0.5
644.16187	0.6
714.28076	36.9
732.31427	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39539	0.8
67.07578	0.9
69.32293	0.8
72.15169	0.8
80.16946	0.8
85.02913	1.0
112.87765	0.8
144.08105	29.8
145.08885	1.2
158.09605	1.0
170.09644	100.0
171.10439	18.1
201.13911	5.8
202.14645	9.8
232.43552	0.9
731.31763	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64961	0.4
58.06583	0.5
91.25294	0.4
92.17907	0.7
144.08093	28.5
145.08873	0.9
158.09680	2.4
170.09647	100.0
171.10434	17.5
187.12257	0.8
201.13916	6.6
202.14645	8.4
249.83559	0.5
317.51892	0.6
453.19196	0.5
731.31769	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	730.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47360	1.1
58.06610	39.5
59.07389	22.8
60.07872	1.7
60.08172	49.1
60.63239	1.2
61.93976	1.0
70.06603	9.6
72.08133	1.2
85.02896	2.3
88.03981	1.4
91.05476	2.4
96.04500	1.4
103.05471	1.9
104.06266	9.0
105.07033	1.6
110.06050	6.0
120.08104	25.1
125.61241	1.3
130.06560	1.4
131.04953	20.3
132.08112	1.5
134.09674	1.7
136.07585	13.7
146.06068	2.8
148.07570	3.0
148.11227	6.3
159.08101	2.7
161.09697	1.3
176.10675	17.8
186.09052	1.8
188.10681	17.3
200.10680	11.4
201.11536	5.5
207.14879	2.8
209.15343	1.3
215.08183	1.6
221.08171	6.0
222.12717	2.1
228.10365	1.8
259.18140	6.6
260.16904	1.5
326.05304	5.2
330.38663	1.5
378.19238	1.6
458.09668	1.8
462.20041	1.3
488.10626	3.1
702.35669	2.1
703.33344	1.5
730.34479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14264	5.8
66.63974	7.3
68.27959	6.7
69.03447	12.7
70.06609	7.5
85.02900	53.8
87.00829	11.6
92.17817	16.3
93.07046	9.7
95.08626	11.0
97.02879	10.7
99.04471	11.7
105.01867	12.1
105.07052	14.1
107.08607	15.3
109.02876	15.1
109.10171	17.2
127.03925	59.5
133.10162	14.6
145.04865	9.3
145.10081	17.7
147.11711	37.0
159.02864	8.8
159.11673	29.0
161.13269	70.3
163.03818	12.2
173.13203	9.8
215.17993	32.8
225.34741	8.5
231.04982	13.2
232.16345	8.8
255.21057	100.0
264.52185	8.3
273.22205	29.9
277.83899	8.3
409.30966	32.8
427.32120	48.7
521.27582	80.9
675.37463	14.8
693.37457	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	730.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53851	0.3
67.65780	0.2
69.03416	0.3
72.96473	0.3
77.07597	0.3
84.31557	0.2
85.02915	1.4
86.64152	0.2
90.52737	0.2
107.08611	0.3
122.02395	0.5
123.03187	0.4
133.10153	0.4
140.03435	100.0
145.10138	0.3
147.11707	0.3
157.10168	0.3
169.10132	0.3
171.11667	0.4
183.11696	1.0
185.13255	1.8
195.11728	0.3
197.13327	0.5
209.13243	0.5
221.13249	0.3
221.58878	0.2
223.14848	0.3
235.14915	0.5
237.16446	0.4
245.15311	0.3
277.19424	2.2
278.20404	0.5
308.28812	0.2
309.18781	0.4
351.23215	2.4
390.39987	0.3
435.63928	0.3
568.29065	27.0
573.93658	0.3
730.34424	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	729.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68941	1.1
51.60131	0.9
53.09455	1.1
55.99850	1.0
58.06611	40.4
59.07392	25.9
60.08170	44.1
69.18552	1.3
69.58546	1.3
70.06590	6.6
80.52242	1.3
87.05573	1.9
91.05472	5.0
104.06281	10.0
110.06052	2.5
113.15809	1.4
120.08101	22.0
131.04921	21.8
134.09694	1.7
136.07573	18.4
146.06123	1.7
148.07695	1.4
148.11246	5.9
173.88464	1.4
176.10742	14.5
186.09230	2.1
187.07526	2.9
188.10672	18.9
200.10733	12.9
201.11539	5.3
202.12355	1.4
207.14943	5.3
228.10274	1.8
259.17969	9.6
322.66760	1.7
403.75455	1.4
450.84396	1.4
677.06964	2.0
729.36115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11406	1.3
55.57645	1.7
57.13575	1.4
62.10107	2.1
70.95267	1.9
84.08142	25.1
86.18172	1.9
88.03985	10.6
89.41074	1.6
98.06107	2.1
103.05453	2.6
104.05316	11.6
105.94968	1.9
120.08104	100.0
129.10284	15.3
130.08656	12.5
144.54663	2.0
146.06348	22.9
147.11255	16.2
174.05829	36.4
192.12697	1.7
235.10683	8.4
267.15036	2.1
360.92776	2.0
512.25671	2.0
729.32819	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54945	0.4
62.49132	0.4
70.06581	2.1
72.08150	3.0
80.47327	0.4
84.08131	0.7
95.35899	0.5
97.82889	0.5
108.44927	0.4
110.10223	0.4
111.77575	0.4
118.06545	0.7
120.59190	0.4
122.06034	3.4
124.07587	6.2
125.88240	0.4
130.33604	0.4
136.07614	1.1
138.09129	2.0
146.05980	0.7
156.04758	7.3
163.03879	2.3
163.21767	0.5
164.07048	0.6
167.07036	3.6
168.04773	0.5
168.07375	1.1
170.06366	0.6
182.06319	5.1
184.06009	1.0
193.08675	0.9
196.07866	0.6
199.12297	0.6
205.66066	0.4
206.28864	0.5
209.08066	1.8
210.08517	0.5
211.08646	0.9
220.09668	0.9
226.11038	1.0
227.08318	0.7
239.08057	0.5
239.11693	0.6
241.09702	2.9
242.10301	0.5
243.07985	1.9
243.11302	1.1
254.10489	12.2
255.11276	18.4
257.12604	0.5
259.14297	1.0
267.11353	0.8
283.10825	7.9
284.11655	0.9
285.12338	3.5
286.10846	0.5
302.12631	3.9
311.10297	1.0
312.08557	3.8
313.12003	0.6
329.11328	100.0
330.08395	0.9
330.12115	17.9
331.12851	14.5
347.12512	4.5
355.14917	0.7
356.15201	0.6
380.16568	2.7
382.17645	0.7
443.21118	0.9
452.18195	2.0
648.29449	0.6
706.99255	0.5
710.28516	39.2
728.30011	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	729.1827
Annotation	Isoginkgetin 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.68028	1.6
60.38810	1.6
67.63445	1.7
69.03444	1.9
81.47661	1.5
85.02899	4.1
85.12150	1.6
104.57621	1.8
116.74560	1.6
121.02091	1.7
121.02837	14.0
125.59564	2.0
229.79240	1.9
263.00803	2.1
314.44354	2.1
535.10034	3.0
567.03876	3.9
567.12823	100.0
729.17645	14.5
729.35907	9.2
748.32690	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	727.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90991	0.3
57.57445	0.4
58.06607	0.6
72.08133	0.4
87.17062	0.5
97.70621	0.4
115.93852	0.4
121.09648	0.4
129.50291	0.4
160.07587	35.6
161.08324	0.6
170.09628	0.9
174.09059	0.5
186.09155	100.0
187.09938	44.1
203.11855	0.7
217.13383	4.0
218.14159	62.6
307.63815	0.4
317.18613	26.2
343.07501	0.4
556.53656	0.5
683.29950	3.3
727.29236	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	728.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83222	1.2
56.94327	1.5
68.86987	1.3
68.91360	1.2
69.07123	1.6
107.04929	1.6
108.93480	1.6
133.06488	2.3
141.88562	1.4
147.04433	3.1
161.05998	6.1
167.07004	2.6
191.07053	7.1
199.07582	5.6
231.08099	7.1
232.08818	1.9
233.09714	2.3
248.08444	3.0
249.09084	2.2
259.07538	5.4
261.09189	7.7
263.10733	9.6
265.08673	3.6
273.09225	9.0
275.06946	1.7
276.07797	29.7
277.08594	2.4
279.10178	1.8
287.07257	1.8
287.84155	1.5
289.08600	8.9
290.09293	10.8
291.10220	17.8
292.10797	1.8
293.07947	5.3
294.08942	1.8
301.08575	3.2
304.07367	6.9
305.08020	2.6
306.08914	2.1
307.09778	2.2
308.10440	6.9
309.11316	3.1
319.09668	31.6
320.10471	10.1
321.07892	1.9
321.11282	9.9
323.12854	12.2
333.11316	8.6
336.09940	9.5
337.11060	1.9
350.11267	2.0
351.12280	100.0
353.14069	5.5
361.10776	1.8
368.12598	2.0
379.11740	34.4
380.12360	2.9
383.14859	8.8
411.14383	71.8
544.21527	1.9
621.54144	1.9
716.91602	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	727.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46477	1.4
55.49823	1.5
56.10112	1.7
63.91743	1.5
92.18463	4.1
93.85974	1.7
120.04494	1.8
123.49691	1.8
146.42072	2.0
167.07013	3.2
168.61627	1.9
170.09645	9.2
171.10364	2.2
181.04961	11.9
199.12372	2.8
202.14612	2.7
210.06787	2.1
226.06146	2.6
239.06860	2.6
241.08592	65.1
248.08417	1.9
255.10274	2.1
257.08066	2.7
261.09143	4.5
268.07300	4.4
269.08115	20.3
270.08878	7.1
271.05997	8.2
278.09473	4.4
285.07556	13.9
286.08347	33.8
288.07858	3.4
289.08554	2.8
290.09650	2.7
296.06732	2.6
300.09854	13.7
301.10684	22.3
306.08945	13.1
311.09213	2.3
314.07935	10.6
315.08621	2.8
320.10513	8.3
321.11136	17.2
329.10190	100.0
335.09042	4.2
338.11591	2.0
349.10770	26.5
350.11331	3.4
351.12631	2.9
381.13354	11.5
404.52573	2.0
409.12762	32.9
441.15393	21.2
489.49496	1.9
501.17535	42.8
546.20648	2.0
727.25610	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	727.2079
Annotation	Schaftoside 4'-O-glucoside
Peak:m/z	Relative Intensity
51.15846	4.0
52.59841	3.8
54.70439	5.0
69.03432	9.9
72.08149	11.0
75.35542	5.6
76.02216	6.8
79.75311	4.3
79.96548	4.5
85.02907	39.0
97.02917	16.8
97.03492	5.4
103.03963	6.3
121.02861	10.6
127.87727	5.0
144.08102	32.4
153.41371	4.6
217.09724	10.7
270.18573	4.9
273.03821	4.9
294.05243	5.7
295.06018	46.9
307.06097	39.9
308.09433	10.0
309.09433	9.6
321.07452	11.4
325.07129	100.0
335.09265	9.2
337.07043	96.0
345.07620	8.5
349.07074	50.3
351.08636	27.9
355.08026	12.1
361.06946	21.8
363.08664	23.1
367.08344	8.0
373.07178	20.3
375.08371	19.2
379.08133	76.1
391.08170	82.6
402.16037	8.1
403.07935	10.9
409.09201	42.2
427.10196	88.1
445.11472	40.5
457.10574	5.1
481.11557	11.7
499.12326	17.6
511.12204	39.0
529.13464	33.2
547.14349	60.7
565.15210	5.8
603.96179	5.0
619.15771	7.1
691.18225	11.9
692.92352	5.4
709.19434	24.8
727.21356	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.0
69.03423	1.4
72.08171	1.2
81.03396	0.9
85.02911	4.6
97.02895	1.6
98.06078	3.6
109.02868	1.1
115.08709	1.8
121.02867	3.8
165.08707	0.9
177.05481	2.3
219.02795	1.0
265.15482	1.4
269.94547	0.9
283.06097	2.2
294.05164	7.0
295.06021	40.2
307.05972	40.2
308.06729	3.7
309.07611	6.3
313.07040	6.7
319.06155	3.5
321.07672	7.6
323.05539	2.2
323.09338	1.2
325.07068	83.3
333.07492	8.0
335.09067	4.0
336.05994	1.6
337.07047	70.6
347.09103	7.9
349.07077	46.6
349.11200	2.1
351.08597	19.2
355.08133	11.6
361.07019	16.1
363.08484	8.3
365.10349	10.3
367.08023	8.9
373.07132	3.8
375.08566	11.7
377.10410	1.8
379.08130	100.0
385.07297	4.1
387.08368	4.9
389.10312	4.2
391.08081	26.9
393.09671	4.4
397.09003	12.9
401.10306	1.7
403.08087	32.0
405.09753	9.7
409.09122	18.2
415.08060	6.6
417.09576	1.7
419.11215	4.3
421.09131	12.8
427.10510	8.9
429.09738	1.6
433.09174	18.3
439.09683	1.2
445.09125	12.3
451.10373	9.2
457.09521	7.5
469.11395	2.2
475.10172	4.6
487.12070	1.2
493.10953	6.8
511.12289	3.5
517.13239	1.1
529.13324	1.9
541.13068	1.8
547.13977	2.0
559.14581	2.3
571.14050	4.4
577.15100	1.6
589.15778	3.8
601.15656	2.3
607.16827	18.0
613.15601	5.1
619.16595	24.2
631.16620	14.2
643.16449	11.4
655.15979	5.1
661.17548	16.5
673.17682	11.4
691.18689	27.2
699.88397	1.2
709.19714	58.6
727.20502	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2086
Annotation	Isomollupentin 7,2''-di-O-glucoside
Peak:m/z	Relative Intensity
55.01878	0.9
61.02903	0.8
65.65747	0.9
69.84641	0.9
71.36651	0.9
81.03429	1.2
85.02911	6.2
85.27375	1.0
92.88839	1.0
96.11156	1.1
97.02873	1.2
103.03950	1.2
109.02936	1.4
117.50289	1.0
121.02843	9.0
155.77240	0.9
161.78581	1.0
163.03867	1.5
169.65625	1.2
173.39830	1.4
175.11873	1.6
183.78513	1.2
240.16055	0.9
240.68762	0.9
283.06198	1.4
294.05255	4.9
295.05994	36.3
307.05994	28.4
308.06879	1.9
309.07507	2.1
313.07101	4.1
321.07608	10.4
323.05551	4.0
325.07053	71.6
329.08301	1.4
333.07712	5.8
335.05530	1.9
335.09106	13.0
336.06284	1.6
337.07062	72.9
339.08664	1.8
345.07559	10.2
349.07056	53.8
351.08655	15.0
355.08063	11.9
361.07037	29.3
361.10797	1.4
363.08682	30.4
367.08380	7.6
373.07040	23.6
375.08719	5.2
377.06464	1.5
379.08093	75.7
387.08621	2.4
391.08115	100.0
393.10004	1.2
401.10095	4.5
403.08087	11.2
405.09726	1.5
409.09174	43.1
415.08127	11.1
417.09412	3.9
421.09299	8.7
427.10248	10.9
429.09634	4.9
433.09119	10.5
439.10080	4.8
445.09167	8.5
457.09802	4.9
463.10211	6.4
475.10324	4.9
481.11270	6.5
493.11069	4.5
499.12598	1.5
511.12180	6.9
529.13245	1.6
541.13501	4.1
547.14789	1.3
570.85834	1.2
571.14569	16.1
589.15509	68.8
607.16534	2.5
619.16516	1.4
637.17969	8.1
643.16541	8.2
661.17859	7.6
673.17645	33.0
691.18701	49.2
709.19745	59.0
727.20801	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	727.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76756	0.6
53.03952	0.9
55.01888	1.4
57.03437	4.4
61.02923	3.4
61.91992	0.8
69.03436	10.1
70.06591	1.8
71.04996	1.0
72.08159	1.2
73.02928	5.5
76.02235	12.7
77.02571	1.0
81.03426	6.1
84.04509	1.5
84.08150	1.3
85.02417	1.4
85.02913	37.7
87.04465	3.6
91.03983	0.8
97.02898	12.8
99.04462	1.8
103.03952	6.7
107.04977	1.4
109.02901	4.9
116.01687	4.9
118.11038	0.8
121.02888	8.8
127.03922	8.9
130.05031	1.8
142.03239	1.3
144.01152	3.3
145.04961	1.0
145.06447	1.3
162.02199	8.7
163.02528	1.5
167.07062	3.5
168.07373	1.2
169.09697	0.8
173.06007	1.7
179.04800	6.3
180.05174	1.0
205.08620	1.2
217.08578	4.2
218.08875	1.3
227.03514	0.9
269.66544	0.8
273.04031	1.2
281.08112	1.0
283.05969	1.7
291.09930	1.7
294.05292	8.5
295.06012	47.4
297.07642	1.3
307.06030	27.8
307.09485	1.4
308.09363	17.0
309.07626	4.7
309.09515	5.6
313.07077	4.8
315.08768	1.6
316.08908	1.4
319.06171	2.9
320.06601	1.4
321.07562	14.6
323.05542	4.3
323.08997	1.3
325.07071	77.5
329.08167	3.6
330.10959	1.0
331.11462	1.3
333.07657	6.2
335.09152	17.3
336.06348	1.8
337.07062	62.6
339.08673	5.5
345.07550	6.8
347.08975	1.9
349.07068	49.5
351.08615	24.3
352.12802	1.0
355.08084	11.3
361.07016	19.8
361.10886	1.5
363.08670	31.1
365.10562	1.1
367.08145	8.6
369.13022	0.9
373.06998	15.7
373.11020	1.4
375.08752	7.0
379.08133	56.6
383.14786	3.0
384.15204	4.9
387.08810	3.3
391.08127	66.7
401.10248	4.9
401.16003	4.8
402.16257	10.5
403.08136	12.9
405.09637	1.6
409.09213	35.8
415.08191	8.0
417.09616	1.1
421.09216	5.6
427.10278	100.0
429.09793	1.8
433.09155	5.7
445.11288	17.6
451.10422	1.0
457.11334	8.6
463.10138	4.5
475.12247	5.7
481.11456	9.1
493.11273	5.5
499.12262	1.5
511.12411	34.6
529.13440	24.8
547.14484	32.4
559.14508	1.9
565.15521	2.0
567.70288	0.9
577.15674	3.0
589.15125	1.3
607.17261	1.0
637.17529	5.1
643.16016	1.0
661.16705	1.5
673.17786	5.9
691.18622	20.0
709.19727	27.3
727.20782	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	727.2082
Annotation	Schaftoside 4'-O-glucoside
Peak:m/z	Relative Intensity
51.33233	0.8
55.01873	0.9
57.03435	1.2
61.02948	3.6
66.59785	0.9
69.03439	8.9
73.02927	2.0
81.03416	2.6
85.02911	23.5
87.04453	1.0
89.14334	1.0
97.02881	6.4
99.04428	1.3
101.08982	0.9
102.99674	1.0
103.03928	5.5
104.50122	1.0
109.02867	1.6
121.02859	7.2
127.03854	2.4
135.90744	1.0
143.70804	1.2
145.04851	1.0
167.77890	1.0
219.02921	1.4
283.05960	2.0
294.05078	13.8
295.06000	45.8
295.09286	2.2
307.05991	45.4
308.06757	4.8
309.07663	7.7
313.07059	4.8
319.05994	2.4
321.07620	10.6
323.08978	2.5
325.07062	87.0
333.07465	7.7
335.05417	2.2
335.09225	5.8
336.06171	1.3
337.07050	100.0
339.08810	2.4
347.09253	4.9
349.07056	40.8
351.08609	17.1
353.06583	1.4
355.08221	12.7
361.07095	16.8
363.08652	10.5
365.10251	7.7
367.08237	11.4
373.07025	3.6
375.08630	9.9
377.10355	1.7
379.08102	94.6
387.08554	4.4
391.08154	27.2
393.09961	1.8
397.09012	11.1
403.08081	21.0
405.09610	7.8
409.09183	20.6
415.08438	7.5
417.09506	1.7
419.11566	1.5
421.09213	9.4
427.10455	11.7
429.09647	1.6
433.09018	12.1
439.09872	5.0
445.11380	68.1
447.69916	1.1
451.10291	5.9
457.11230	12.2
463.09875	1.8
469.11136	10.9
475.10342	1.3
481.11197	19.6
493.11279	5.3
499.12323	41.4
511.12271	19.4
529.13440	26.7
547.14490	56.3
565.15417	4.5
619.16724	12.1
691.18597	4.2
709.19904	24.8
727.20959	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	727.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45019	5.9
64.42870	5.6
68.70185	6.2
70.06602	13.2
72.08148	9.6
81.19930	6.3
84.04501	8.8
85.02906	46.7
91.72109	5.5
97.02882	8.7
121.02859	40.2
128.81107	5.9
134.25653	6.3
140.84750	5.9
144.08055	12.7
153.25862	6.0
162.02203	8.5
167.07048	11.3
279.87354	6.2
295.05975	71.7
307.05960	34.0
308.09161	27.2
321.07648	24.5
325.06952	90.9
335.09198	8.6
337.06921	100.0
349.06982	57.1
351.08597	35.8
355.08066	15.2
361.07141	28.4
363.08636	15.2
367.08130	9.0
373.06799	12.8
379.08075	78.5
384.15131	7.2
391.08044	67.2
403.08469	10.0
409.09189	38.7
415.08334	9.4
421.09232	9.6
427.10239	95.5
439.10184	6.6
445.11273	42.0
457.10965	24.4
475.12463	8.8
481.11572	13.1
499.12201	23.6
511.12305	30.1
529.13171	38.9
547.14636	62.9
647.81409	7.5
691.18610	27.2
709.19830	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47711	0.9
53.44982	0.9
70.06596	82.5
72.07800	1.6
72.08160	21.1
84.04505	5.3
84.08150	1.6
84.09143	1.0
86.09705	16.2
88.03999	1.6
99.29700	1.0
100.85371	1.1
102.05542	9.1
116.07104	6.1
141.10248	5.1
156.10193	5.2
163.03899	2.6
165.92937	1.3
167.06981	1.9
169.13368	34.5
173.09213	57.5
181.09741	4.8
183.11295	2.3
197.12791	5.1
199.10719	1.3
201.12340	100.0
209.09203	6.6
213.08766	1.7
225.12386	6.6
227.10236	9.2
229.11888	12.6
241.06723	1.1
255.17094	1.2
312.15540	2.1
326.17044	2.2
340.15106	1.6
358.16089	7.3
368.17697	1.2
369.21381	26.0
455.21536	6.1
458.33209	1.4
526.28851	9.0
554.28204	39.8
726.25568	1.8
726.36206	8.6
758.19720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89338	0.9
53.06849	1.1
53.90055	1.0
54.19200	1.2
54.63382	1.0
55.80820	0.9
56.97156	1.0
58.99580	6.9
60.02035	1.0
60.78241	0.9
61.98985	1.1
65.83846	1.0
66.26919	1.0
76.02232	72.6
76.04028	1.7
81.03413	1.9
82.45316	1.1
84.04509	10.1
92.17793	1.7
107.04965	7.4
116.01681	16.0
117.07048	1.4
124.05240	1.4
130.04999	10.7
131.08502	1.4
133.49825	1.3
135.48006	1.2
142.03249	6.9
144.01163	14.4
145.06265	8.1
159.08018	2.4
162.02193	42.8
167.07025	26.4
170.02817	1.6
170.09683	4.4
171.10112	1.9
173.05986	15.8
179.04854	32.6
187.05365	1.7
187.07549	4.8
190.06296	7.0
202.06248	1.8
202.14682	1.4
205.08627	11.7
217.08600	20.3
219.10172	1.3
226.12787	1.3
229.08473	1.7
231.08058	2.1
233.05859	9.2
245.06003	5.1
247.07501	1.6
247.09679	2.4
248.08273	1.5
251.10695	1.7
263.10571	4.4
271.09775	1.5
273.49573	1.3
274.10223	1.3
275.06763	1.6
276.07697	2.2
279.10278	4.6
290.09360	1.5
291.06680	1.2
291.10165	2.5
307.09738	1.9
308.09079	100.0
311.12701	1.9
315.08585	15.3
319.09644	1.8
323.12756	1.9
330.10983	15.7
343.11670	5.5
351.12308	2.7
353.10330	2.7
356.13281	1.3
368.12531	7.0
369.13251	4.8
371.14944	2.1
383.14893	38.7
401.10751	2.0
401.15985	46.7
440.16061	1.3
726.27942	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	725.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01777	0.3
57.39348	0.2
68.13009	0.3
69.25571	0.3
72.93390	0.3
77.91130	0.3
78.29198	0.3
78.37363	0.3
84.04508	2.4
85.02901	0.4
85.66100	0.3
88.11268	4.2
98.06047	0.6
137.05956	0.3
141.05431	0.3
141.35818	0.3
147.04436	1.4
151.03912	100.0
153.13876	2.2
154.12306	0.6
159.20833	0.4
171.14932	6.4
179.06934	0.3
199.14432	14.7
200.12839	0.6
283.09659	1.5
299.09235	4.7
311.09186	3.2
328.44440	0.3
329.10184	7.5
347.11298	2.2
367.18622	0.7
515.23999	4.1
527.24005	1.3
545.24884	8.2
563.26025	12.9
634.86658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28561	1.1
52.43917	1.1
70.06572	1.4
70.14700	1.4
85.02897	1.7
91.05496	1.6
93.03411	1.6
103.05486	1.8
105.08739	1.4
106.04165	2.7
119.04886	1.6
121.06522	8.0
125.05979	2.0
131.04958	1.6
132.13930	1.2
137.05984	22.3
144.08080	1.9
147.04410	1.5
149.05975	16.0
151.07529	7.8
163.07417	1.3
165.05447	12.9
167.07019	10.7
177.05455	11.7
179.07039	89.6
181.08592	8.9
183.06569	1.8
186.86484	1.5
191.07053	9.3
193.08578	1.4
195.06436	2.1
197.08112	6.9
209.08093	55.9
211.09755	1.5
223.09706	1.6
225.07579	100.0
248.10709	2.9
260.10568	1.7
275.09595	1.7
276.10229	2.9
288.10092	5.5
292.09857	1.6
308.12875	18.0
320.12933	5.7
385.12210	1.4
425.17084	2.5
437.16995	2.6
469.15991	21.0
481.16306	2.4
484.88388	1.3
508.72482	1.4
541.17755	1.8
622.46344	1.8
725.26740	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	724.376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33404	0.6
52.25099	0.6
55.01877	1.0
57.03436	3.0
57.69471	0.6
61.02926	6.3
69.03438	11.4
71.04984	1.1
73.02915	3.4
78.17155	0.6
81.03424	3.7
81.07075	7.5
85.02911	100.0
87.04483	1.2
91.03958	6.5
92.17839	0.7
95.08623	3.7
97.02898	23.0
97.03513	0.9
99.04449	5.3
107.08604	4.3
109.02871	9.8
109.10194	1.1
115.03889	1.0
119.08589	1.7
121.10104	1.5
123.11729	0.9
127.03925	30.0
135.11722	0.7
145.04962	37.0
147.11723	1.2
161.13297	1.1
163.06032	10.4
163.14816	27.0
165.12689	6.2
174.00877	0.6
175.14789	1.3
203.17963	13.1
221.19002	19.2
289.09164	2.8
295.80090	0.8
325.11304	43.0
383.24023	1.4
594.21173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02194	0.4
51.99697	0.3
52.52475	0.3
64.97039	0.4
72.08164	9.5
84.05558	0.4
89.10799	10.1
93.77236	0.4
96.78193	0.5
101.83010	0.4
115.08675	0.5
118.83810	0.4
132.04472	3.9
135.04442	0.4
140.18121	0.4
145.02818	0.4
145.38708	0.4
148.32716	0.4
163.03900	41.1
183.87677	0.4
233.86200	0.6
234.11232	9.1
242.09177	0.7
242.14905	0.8
251.13879	22.5
259.11996	4.1
284.11395	4.8
302.12488	6.7
327.11984	6.9
345.13058	100.0
386.39441	0.5
402.56750	0.4
474.17337	57.9
506.72357	0.5
666.82147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
56.73659	0.6
69.03433	4.2
69.11586	0.7
72.08154	1.0
79.05505	1.6
81.03413	3.5
84.10516	0.7
85.02905	12.9
87.00836	5.4
88.44231	0.8
97.02896	5.4
99.04465	1.7
100.02197	1.5
105.01855	4.5
105.07034	22.4
105.07684	1.4
109.02860	5.3
115.05444	3.2
117.01901	0.9
122.02718	5.2
127.03911	8.8
133.06493	34.6
133.07463	1.5
143.06071	2.8
145.04980	2.9
146.02733	3.9
159.02902	2.6
161.05975	100.0
167.95430	0.7
193.08603	55.8
200.56866	0.7
212.03622	0.8
224.07718	0.7
231.05028	2.5
248.05887	0.8
251.49893	0.8
253.91798	0.8
284.07953	1.5
285.76379	0.8
314.10635	7.9
370.08072	4.4
414.97235	0.8
426.19928	0.7
481.26855	0.7
532.13367	22.5
559.18695	0.9
661.12329	0.9
724.20996	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	723.196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83015	0.7
67.08527	0.8
87.75436	0.8
91.72444	0.7
128.78873	0.7
158.99438	1.5
170.99710	0.9
179.99872	0.8
189.00536	3.3
201.00648	1.2
219.01788	1.3
243.01768	2.9
245.05064	0.9
246.95937	0.7
261.02780	5.9
279.04086	1.1
322.72058	0.8
381.07925	100.0
441.09204	3.7
461.87189	0.8
515.27368	0.8
526.59363	0.7
605.02496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	1.0
70.06598	15.8
72.08173	8.3
84.08142	8.3
87.05573	1.1
87.09249	2.9
98.06089	1.3
98.09679	1.0
104.39983	0.7
110.09717	0.9
111.10432	0.8
112.11243	4.6
113.07114	1.1
117.03392	0.9
122.06030	3.1
129.13885	1.7
135.04434	1.5
145.02835	4.8
154.08609	0.8
155.11792	1.3
158.56410	0.7
162.05484	3.2
163.03905	84.5
206.55049	0.8
218.08272	0.8
219.08937	0.9
220.09695	100.0
221.10469	1.1
233.12880	1.8
234.13553	3.0
235.14456	4.8
249.12332	4.2
264.17160	4.9
268.06207	0.8
278.18707	3.0
282.07626	0.8
289.17947	0.9
290.18585	3.7
292.20346	1.4
308.22220	5.3
309.22858	8.4
339.13406	1.5
374.08701	1.2
412.22675	1.0
414.22672	3.2
470.25235	5.0
471.25964	1.8
492.03378	0.9
723.28741	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06613	1.8
70.06596	11.1
70.79950	1.4
72.07802	1.5
72.08167	13.8
84.08149	7.3
87.09191	1.8
91.55622	1.5
91.81704	1.6
102.40694	1.8
111.10437	1.7
112.11261	10.6
115.15074	1.5
129.13910	1.8
135.04431	6.7
145.02837	2.6
146.51585	1.5
150.26213	1.6
155.11784	3.8
155.90378	1.7
161.05951	2.0
163.03896	95.9
191.07059	2.3
192.07866	9.9
209.08072	2.6
220.09673	97.3
234.11353	7.0
279.17255	1.8
291.17181	2.7
292.17749	1.8
323.09155	2.0
379.31189	1.7
424.22922	1.6
616.43811	1.8
722.32880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	29.7
69.07079	3.4
71.08643	59.3
73.06577	3.0
81.64275	3.6
84.91185	2.9
85.10194	29.5
87.04475	26.3
89.05510	4.5
89.06036	100.0
91.05459	5.9
93.07033	6.1
119.08570	4.5
121.06487	25.9
131.07098	4.5
133.08617	40.1
135.08043	6.6
147.08055	16.4
163.11240	4.9
177.11176	13.9
247.20630	23.0
291.23148	15.4
335.26016	5.1
369.50760	3.3
430.37814	3.5
515.15253	4.2
616.49268	4.0
705.47906	50.5
722.50604	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
60.04522	1.2
70.06577	1.0
72.08130	1.2
76.08018	0.7
80.05012	2.8
81.03408	1.4
84.04509	17.6
87.75217	0.8
88.88303	0.7
96.04481	5.5
97.26357	0.7
98.06053	13.8
102.05546	5.2
108.03822	1.2
108.04485	21.0
109.02902	8.6
116.07100	4.6
126.05517	100.0
130.05005	5.7
138.05507	72.4
144.06566	10.2
148.06041	16.2
149.05980	0.9
150.05522	3.4
162.06416	0.9
168.06551	50.6
183.34308	0.7
186.07613	12.7
191.06993	1.0
192.07407	0.9
210.07507	0.9
218.42618	0.7
228.08669	4.6
230.10214	1.4
246.09735	25.8
264.10773	6.0
291.11816	8.4
301.14035	4.6
313.54031	0.8
329.13431	38.1
456.70746	0.8
458.17355	1.2
476.18802	26.0
573.67273	0.9
574.22467	9.9
721.28156	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	720.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06561	0.6
58.06609	26.2
59.07391	18.2
60.08173	40.9
68.33994	0.6
76.23019	0.5
78.16891	0.7
91.05481	7.4
92.18446	0.9
103.05476	6.9
105.07066	2.4
106.06541	1.0
118.06535	3.5
119.07336	8.5
120.08104	22.5
130.06511	3.2
130.87779	0.7
131.04932	28.9
132.08141	1.0
136.07594	11.5
144.08095	0.8
145.05217	5.2
146.06017	14.8
148.07617	2.8
148.11235	1.0
162.05513	1.7
165.06987	0.9
173.92953	0.8
179.08565	1.0
181.06482	1.5
181.10086	3.0
195.08083	1.7
195.32660	0.7
205.10042	0.9
207.08116	2.8
208.11139	1.4
209.09596	1.6
211.00441	0.8
220.11234	2.9
221.09653	1.2
222.12840	4.1
222.89442	0.8
224.10703	21.6
235.07532	0.9
236.10677	12.2
238.12241	0.9
246.09206	1.1
248.10674	5.9
249.11461	2.6
253.13438	1.5
262.08667	1.0
263.11914	1.2
276.10175	1.2
285.12393	2.9
291.11182	0.9
309.12317	5.6
327.13513	2.8
383.17618	1.5
395.17493	1.0
411.16690	1.0
426.18173	1.2
661.27063	3.8
692.34821	1.1
720.33899	100.0
735.87177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.323
Annotation	Unknow
Peak:m/z	Relative Intensity
95.31505	1.1
97.85545	1.1
137.05983	100.0
151.07512	2.6
153.05487	2.5
155.08530	1.7
159.08046	1.0
161.05933	1.7
163.07515	4.8
170.07220	4.6
177.09158	1.4
180.03606	1.0
182.91614	1.0
183.08034	5.1
189.09055	1.2
195.08139	1.6
201.09070	6.0
202.09846	4.1
203.10699	4.3
209.08037	5.1
213.09216	1.7
215.10742	4.5
219.10210	1.8
219.41232	1.1
223.04314	1.4
227.10655	2.1
233.11674	21.5
245.11699	27.0
251.12831	7.0
253.08539	2.5
285.11246	2.5
313.10773	1.3
319.13406	1.3
327.12427	4.4
351.15933	2.2
359.15225	7.4
369.17108	6.6
381.16888	6.4
387.18073	1.6
389.15860	1.6
399.18027	59.6
505.22360	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	720.272
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33676	0.4
69.03414	0.7
76.43828	0.5
77.37409	0.4
82.92402	0.4
85.02904	2.0
91.05455	0.8
97.02884	0.8
99.04458	0.8
105.07034	0.6
107.04951	1.9
119.04971	0.9
120.27608	0.4
121.06491	3.3
127.03929	0.6
131.04889	0.7
137.05981	2.3
147.04436	1.7
149.06058	0.7
151.07582	0.6
153.05457	3.7
161.06001	1.0
163.07527	0.6
164.04727	0.5
165.05510	0.9
167.07031	13.2
169.24100	0.4
171.06593	0.5
175.07622	0.7
179.05716	0.4
179.07042	16.2
181.04970	69.6
181.08513	9.2
181.88794	0.4
192.04440	0.5
193.04956	1.0
193.08621	3.5
195.08047	0.8
197.08095	0.4
207.06538	100.0
209.05928	1.7
213.09102	3.0
219.10167	0.6
226.06079	0.5
241.08623	5.8
245.11642	0.5
255.10222	0.9
264.25443	0.4
269.08160	3.7
273.11224	6.6
279.61673	0.4
283.09473	0.6
286.08389	1.7
297.07602	0.8
301.10727	10.9
318.11020	1.0
329.10294	2.1
333.13321	14.3
361.12836	19.8
379.13885	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	720.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43743	0.2
51.04758	0.2
51.23385	0.2
53.03942	0.3
57.03424	0.3
60.93776	0.2
61.02930	0.6
69.03438	2.1
72.08150	0.3
73.02895	0.3
81.03403	0.5
85.02910	13.1
91.03932	0.8
97.02896	3.3
99.04447	0.5
107.04976	0.4
109.02876	1.1
124.05227	0.3
124.65939	0.2
127.03931	2.1
133.06523	0.3
137.05930	0.2
145.04980	2.6
149.05988	0.5
151.03909	19.5
161.05939	0.9
163.05991	0.6
167.07030	100.0
181.08554	1.2
193.08603	4.6
211.09651	21.0
245.04718	0.3
311.97598	0.2
325.11337	0.4
361.12775	11.4
379.13852	9.6
384.17584	0.3
592.69098	0.3
720.28448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96253	0.4
56.05033	0.6
65.82478	0.5
70.06591	1.0
72.08166	0.9
73.33234	0.5
78.53037	0.5
81.03428	0.8
82.06590	10.1
84.04513	5.8
84.08152	1.9
90.86227	0.5
96.04520	3.7
97.02885	0.6
98.06073	5.4
102.05536	3.0
108.04458	0.7
109.02873	1.9
114.05483	0.6
115.40746	0.5
116.07088	8.6
121.43599	0.5
126.05522	18.0
126.15238	0.5
127.03941	0.7
128.07086	100.0
129.06609	2.1
130.05042	3.4
138.05513	82.1
144.06572	17.0
145.09753	4.3
147.07646	2.4
152.07098	0.6
153.10219	0.7
155.08020	0.5
163.03893	2.9
165.10278	0.6
167.11813	0.8
168.06563	23.1
173.09225	95.4
174.81673	0.5
181.09714	0.5
185.09433	0.5
186.07634	18.8
191.10257	4.1
193.09773	1.9
199.10791	25.7
206.78967	0.5
211.10799	2.2
226.11737	0.7
227.10327	2.4
230.10333	2.7
239.10262	27.5
244.12860	4.2
251.13953	2.5
257.11368	3.1
258.09854	2.2
262.13950	13.7
282.14462	0.7
284.12518	3.5
285.10919	0.8
301.14017	11.7
302.13489	22.2
328.15240	1.1
329.13358	2.0
360.83109	0.6
373.17023	0.7
391.18185	16.8
445.19409	3.5
534.24121	8.6
630.26385	3.0
701.30145	0.9
719.30988	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3102
Annotation	Visudyne
Peak:m/z	Relative Intensity
50.04332	0.4
50.90508	0.3
55.05514	0.4
56.05038	0.6
69.03426	1.0
70.06573	0.6
71.79439	0.4
81.03441	0.6
82.06587	9.3
84.04499	5.5
84.08144	2.4
96.04514	3.9
97.02876	1.1
98.06045	4.9
98.86425	0.5
100.07645	0.6
102.05526	3.5
103.05354	0.4
104.29758	0.4
109.02921	2.2
114.05535	0.6
116.07079	9.0
120.08103	0.9
121.08485	0.6
126.05514	15.1
127.03902	0.6
128.07080	100.0
129.06609	2.0
130.05013	3.4
132.55853	0.5
138.05505	79.0
144.06557	17.7
145.09726	4.3
147.07698	2.0
153.10272	0.7
166.08675	0.8
167.11768	1.0
168.06555	23.8
173.09215	84.5
186.07617	19.1
191.10274	3.4
193.09723	0.9
197.02901	0.7
199.10785	23.4
206.52187	0.5
211.07903	0.5
211.10857	2.1
221.09380	0.8
227.10277	2.6
230.10222	3.3
239.10251	24.3
244.12952	5.7
245.11250	0.6
257.11288	3.4
258.09760	1.8
262.11179	0.9
262.13956	13.4
284.12393	5.4
285.10706	1.0
301.13953	9.7
302.13455	24.0
328.15045	0.7
329.13477	2.6
373.17270	1.1
391.18219	14.5
445.19611	3.7
534.24023	7.7
630.25952	5.5
701.29517	0.7
719.30951	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18271	1.2
56.12789	1.4
60.89381	1.4
63.57236	1.1
70.06551	2.3
72.08137	2.0
74.37676	1.4
93.50345	1.3
98.19231	1.4
102.78518	1.4
103.05461	5.7
105.01917	2.1
122.03606	2.3
131.04916	22.3
137.05986	100.0
151.03908	2.6
151.07549	7.0
161.05916	2.5
163.03879	2.4
163.07545	58.7
165.05359	2.0
175.07498	3.4
177.09151	6.2
187.07533	9.3
195.08073	1.7
199.07497	2.2
201.09114	3.2
213.09109	8.6
217.08591	10.7
225.09328	1.5
243.10211	3.4
249.49323	1.6
267.10117	2.0
281.11774	2.8
291.10495	1.5
297.10944	2.2
299.12759	7.4
307.09570	2.7
309.11380	1.9
338.76764	1.7
349.14453	7.6
367.15479	2.5
397.16431	8.0
487.80630	1.6
577.24231	5.8
612.23004	2.0
665.26880	2.2
683.28650	3.4
725.81458	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	718.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82628	6.9
57.07079	44.7
71.08624	16.2
76.28137	5.4
76.32878	5.9
85.10162	8.9
87.04472	10.8
89.06043	100.0
101.19848	7.5
119.92404	6.8
133.08640	24.8
154.56244	7.9
177.11217	11.9
184.91881	8.0
221.24515	7.2
265.94879	7.4
280.38965	7.2
670.87970	9.0
701.50177	13.8
718.53528	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
53.55654	0.7
55.01873	1.9
55.05521	0.8
57.03446	2.3
61.02922	4.8
65.92978	0.8
69.03437	23.9
69.07085	9.2
70.06589	1.0
70.14688	0.9
71.04991	2.0
73.02921	2.3
81.03439	17.4
84.44495	0.9
85.02914	100.0
87.00842	38.4
95.05038	0.9
97.02898	38.9
97.03519	1.5
99.04464	12.8
103.03931	1.0
105.01875	75.3
109.02896	32.5
111.11758	1.8
115.03934	0.9
117.01827	1.2
127.03921	86.6
129.01888	2.2
131.50172	1.0
134.04381	1.0
145.04974	22.1
147.02986	1.8
159.02882	9.2
167.06979	1.3
189.03961	2.2
207.68071	1.0
213.03925	9.1
231.05016	38.2
249.06055	33.6
253.07100	1.3
271.53125	1.1
305.44098	1.1
339.97580	1.1
357.08264	1.8
375.09232	6.8
390.19351	1.1
393.10291	23.2
411.11349	16.0
530.16400	1.2
622.36279	1.4
712.02881	1.1
740.95654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91666	0.4
76.37613	0.4
78.35660	0.4
81.03392	2.3
82.36102	0.4
85.02901	0.8
91.05477	0.6
103.05475	1.2
109.06550	0.6
121.06536	0.6
122.03626	0.9
129.07001	1.9
131.04909	7.8
133.06464	0.5
137.05981	100.0
143.04901	1.1
145.06468	1.1
149.05968	1.0
151.03914	2.6
151.07524	5.3
157.06497	4.8
160.05241	1.2
161.06009	2.7
163.07541	21.6
174.06801	0.7
175.07545	20.5
177.09140	3.2
181.04967	4.9
181.06339	0.6
181.08556	0.6
185.05963	0.6
187.07544	11.1
189.09079	4.8
191.07037	0.7
199.07539	0.8
201.09177	3.0
205.08575	4.5
209.08089	3.3
213.09142	2.8
217.08606	3.0
226.57034	0.5
235.09650	6.0
255.10056	1.0
267.10129	0.6
283.09744	5.5
285.11276	0.6
291.10330	0.7
295.09671	2.0
297.11108	0.8
299.12805	2.2
303.10437	0.7
317.11685	0.8
323.12930	2.5
335.12790	0.9
341.14023	1.1
349.14417	3.1
353.13950	2.6
361.14325	0.7
367.15506	2.2
371.14929	2.7
376.05411	0.5
379.15610	1.9
387.14444	3.3
397.16492	2.1
432.15558	0.8
433.16602	0.6
473.19922	4.5
485.19678	2.5
491.20847	2.6
503.20642	13.0
521.21838	7.7
733.38367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13165	0.1
56.41682	0.1
60.05656	0.1
63.10349	0.2
84.05630	28.0
85.06402	0.3
86.96138	0.1
90.89294	0.2
92.18475	0.3
94.07407	0.2
97.19616	0.1
100.87153	0.2
118.87595	0.2
141.43231	0.2
148.07561	0.8
166.08601	0.7
176.07091	0.3
176.38617	0.2
194.08118	4.2
208.10826	2.9
226.11835	0.9
236.10291	2.0
254.11337	100.0
255.11543	0.2
378.13727	0.2
433.61313	0.2
441.90759	0.2
515.58221	0.2
576.34424	0.2
608.72107	0.2
618.68201	0.2
712.85767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77856	1.0
57.03455	1.6
57.29052	1.0
61.02917	2.3
69.03416	7.3
70.06585	1.4
73.02895	1.7
81.03402	2.8
85.02911	47.1
91.03960	1.6
95.11292	1.1
95.12146	1.2
97.02903	11.2
99.04443	1.2
109.02866	5.1
110.83250	1.2
121.06541	2.1
123.04436	1.7
127.03922	9.4
133.79381	1.2
137.06023	2.9
140.04738	1.3
145.04982	8.8
148.57220	1.1
149.05989	11.1
150.74757	1.2
155.07024	7.0
161.06075	1.1
161.84224	1.3
163.03897	1.7
163.05952	1.9
165.05507	12.2
167.07031	91.6
175.03932	1.6
175.07539	1.3
177.05505	2.0
179.06996	1.7
181.04932	5.3
193.04964	5.8
205.04897	9.2
209.08086	2.0
225.07553	1.8
269.07986	2.8
287.09064	1.9
295.06018	4.7
297.07480	2.3
313.10730	1.6
315.08569	13.7
322.74615	1.2
329.10193	50.9
329.13968	2.1
332.08911	25.3
334.92419	1.2
341.10205	5.6
343.11609	1.6
347.11249	42.5
359.11295	22.8
377.12311	100.0
407.67712	1.3
575.29401	1.3
749.60010	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	718.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48806	5.9
60.29506	6.0
63.08121	6.7
64.37449	6.1
76.76528	7.6
91.05479	6.5
121.06531	14.2
124.31268	7.3
131.04948	14.2
137.06013	51.7
149.05962	33.1
151.03899	83.8
163.07611	14.4
164.63567	7.1
177.05437	13.5
181.05008	30.3
181.08592	7.1
191.07091	100.0
209.08110	79.7
246.23166	6.1
246.25891	8.1
263.09189	13.8
387.14413	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79706	1.7
55.01880	2.0
59.94523	2.2
60.08200	1.9
69.03459	3.4
69.07066	4.3
70.06590	9.5
72.08131	3.0
73.02938	3.2
81.03398	2.2
84.08153	2.5
85.02903	15.8
93.03413	5.2
93.07070	2.7
95.04954	3.5
97.02882	10.0
103.05471	12.6
106.04180	3.5
107.04945	4.0
111.11720	2.6
115.03918	2.0
121.06483	10.4
124.08233	2.5
125.06053	2.2
127.03995	2.6
131.04921	29.3
133.06535	2.4
137.05984	81.3
143.04953	2.6
145.04933	2.7
148.05209	2.8
149.05978	23.5
151.03909	71.1
153.09077	3.1
156.94666	2.4
157.06413	2.4
163.03889	5.2
163.07523	26.1
167.07024	11.3
175.07541	17.6
177.05438	15.5
181.04993	19.0
181.08635	10.6
187.07541	8.3
189.09143	3.3
191.07040	100.0
195.06433	3.4
203.07146	2.7
205.08626	3.4
209.08089	75.1
220.09703	3.3
223.04234	9.4
235.09688	2.6
263.09219	9.7
295.10135	4.8
312.33356	2.1
327.12506	2.6
355.11819	3.9
387.14352	60.9
401.70505	2.6
488.25317	2.1
503.20520	3.2
521.21246	2.2
718.31573	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	718.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
58.01728	1.4
61.77549	1.4
70.06567	1.4
81.18967	1.6
85.02899	1.8
91.05503	2.7
92.17850	1.8
93.03407	3.8
93.07047	1.7
95.04964	3.1
103.05460	9.9
104.01766	1.5
105.07015	1.6
106.04168	8.6
107.04945	2.8
115.05461	1.7
121.06470	14.4
125.05983	6.6
131.04922	32.9
133.06464	2.3
134.03687	1.5
137.05986	55.5
143.04921	1.8
145.06470	2.0
148.05190	7.5
149.05981	33.3
151.03902	74.3
153.05469	2.2
153.09146	7.1
161.05965	2.5
163.07526	20.2
165.05479	1.9
167.07051	9.0
170.09685	1.7
173.06073	2.7
175.07552	6.7
177.05470	19.7
181.04970	19.8
181.08549	12.6
189.05508	1.7
191.07033	100.0
192.07791	1.9
195.06593	1.9
209.08086	86.6
223.04268	18.5
233.08096	3.7
263.09189	11.5
312.08887	2.2
338.80655	1.6
355.11813	6.2
369.13104	3.0
387.14423	51.0
392.98920	1.7
430.09723	1.5
520.25140	1.7
562.23431	1.9
579.22546	1.6
710.19476	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	718.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83171	0.8
63.49649	0.8
63.88223	0.9
71.39288	0.9
72.53689	0.9
73.14159	1.0
75.04452	1.2
77.96074	0.8
82.97991	0.9
91.05476	1.3
93.03385	6.2
93.07044	0.9
105.07066	0.8
106.04174	7.8
107.04961	1.4
119.04914	1.2
121.06502	10.8
125.05994	5.0
131.04939	3.8
133.06436	1.2
136.05133	1.1
137.06004	14.3
149.05991	29.0
151.07562	6.6
153.09096	8.4
155.07016	1.6
161.05984	2.2
163.03897	4.2
165.05486	14.1
167.07031	41.3
169.24335	0.9
177.05458	20.1
177.09221	1.2
179.07025	66.2
181.08597	13.5
183.06557	9.0
189.07825	1.0
191.06996	4.3
193.05006	1.0
193.08604	1.9
197.08105	5.1
207.06857	1.0
207.08791	1.1
209.08096	86.8
211.09665	2.2
223.04231	16.9
225.07567	100.0
284.08011	0.9
312.08960	2.2
330.10016	3.7
405.15591	1.8
417.15247	1.5
435.16669	1.3
517.36328	1.0
556.18103	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	718.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21198	0.3
52.36655	0.3
57.54257	0.4
65.03951	0.5
71.23808	0.3
75.04497	0.5
78.00539	0.3
78.04686	0.3
85.02911	1.5
89.06033	0.4
91.05498	2.5
93.03409	6.3
93.07052	2.1
95.04961	1.6
103.05438	1.5
105.07039	0.6
106.04180	6.6
107.04963	1.5
119.04945	2.0
121.05682	0.6
121.06506	9.9
123.04444	1.7
125.06000	4.0
131.04929	1.9
134.03665	0.5
136.05161	0.4
137.05988	11.6
139.07550	0.6
145.02832	0.5
147.04370	1.3
148.05156	0.7
149.05983	25.9
151.07550	7.2
152.57326	0.4
153.05484	0.7
153.09111	7.0
155.07043	1.7
159.04457	0.5
161.05978	2.0
163.03905	2.6
163.07510	1.4
165.05469	12.1
167.07039	36.1
177.05472	15.9
179.07031	69.7
181.08594	13.1
183.06520	7.5
191.07069	6.1
192.07846	1.5
193.04942	0.8
193.08585	2.6
195.06499	1.6
197.08095	6.7
207.06696	0.4
207.08813	0.6
208.57292	0.4
209.08095	82.2
211.09624	5.0
223.04225	13.8
225.07576	100.0
261.36600	0.4
284.07947	1.3
312.09021	3.8
329.22131	0.4
330.10135	3.1
389.15970	0.6
405.15405	2.7
417.15546	2.6
435.16391	1.9
556.18530	4.6
598.33978	0.4
660.56366	0.5
703.35760	0.4
718.23505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
73.88401	0.5
74.21070	0.7
74.60854	0.7
88.70203	0.6
90.61627	0.6
93.30437	0.6
114.30930	0.6
118.06542	3.1
132.08089	2.6
137.06001	1.2
139.64580	0.6
144.08087	6.6
146.06009	44.2
157.87914	0.6
159.09164	3.8
167.06995	1.2
170.05978	1.5
174.12219	0.5
188.07060	100.0
204.16418	0.6
205.09727	35.9
224.13942	2.3
233.90800	0.7
242.14880	0.8
465.41068	0.6
589.01208	0.7
690.80072	0.7
706.34937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62432	0.2
65.38326	0.2
68.25290	0.2
70.06593	0.2
72.08160	5.0
84.65818	0.2
85.26581	0.2
89.10799	4.3
98.06060	0.5
104.86882	0.2
114.09229	0.3
115.08697	1.2
117.03368	0.5
119.83958	0.2
145.02849	12.8
145.03983	0.5
177.05478	100.0
192.47333	0.2
202.62715	0.2
248.12842	6.4
265.15472	47.5
354.61023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88797	8.8
58.79580	8.0
62.98410	9.6
79.99129	9.8
90.49097	10.2
96.87541	9.0
124.85506	9.1
126.58276	10.4
172.81297	9.5
209.08305	11.6
222.27203	9.7
251.09084	42.2
265.08600	17.0
291.10126	21.1
307.09958	11.0
309.11066	10.1
319.09573	17.3
321.11459	9.6
337.10724	78.0
351.12198	58.7
369.13370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84376	0.1
72.08167	2.1
72.81657	0.1
73.04026	0.3
91.91769	0.2
97.07620	0.4
98.06055	0.7
103.05462	0.8
114.10295	19.3
115.08689	10.6
115.09526	0.2
131.04930	22.8
131.12918	0.3
201.13873	16.4
202.12271	21.9
219.14954	2.4
244.14445	21.7
261.17102	100.0
272.92624	0.2
675.61060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92393	1.2
53.03965	1.6
61.02934	5.4
69.03424	10.1
71.04948	1.5
75.05692	1.6
81.03425	5.5
81.10266	1.2
85.02416	2.8
85.02909	67.5
91.03960	2.2
97.02894	22.4
99.04469	2.7
107.04957	2.2
109.02888	5.1
115.75666	1.2
123.04473	2.7
127.03911	17.5
131.04929	27.9
137.05995	2.3
140.04716	5.9
145.04979	13.5
145.06468	5.4
151.76207	1.3
155.07043	22.6
161.06007	3.2
163.06046	2.1
167.07030	36.2
173.05978	67.3
175.07545	25.5
177.08983	1.7
179.07011	6.3
185.05988	1.3
191.07074	5.6
193.08612	7.1
203.07013	11.8
225.09178	1.8
235.07573	4.5
235.09630	2.3
253.08603	11.2
265.08569	6.5
267.10135	13.8
277.08759	5.5
285.11209	49.7
295.09668	32.2
297.11298	6.1
299.12863	1.6
309.11218	6.1
325.10928	1.7
327.12244	91.7
339.12531	1.4
345.13318	100.0
357.13403	17.0
371.14853	2.5
375.09546	3.2
375.14368	85.6
531.33069	1.4
613.26910	1.8
716.28003	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	713.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	1.2
63.10392	0.6
63.11295	0.5
70.06602	0.6
85.02916	1.2
98.03969	0.5
102.44495	0.5
107.08602	0.6
149.09682	0.8
160.07585	37.5
161.08376	0.8
170.09608	1.3
174.09198	0.9
186.09151	100.0
187.09921	31.2
194.00949	0.6
202.11049	1.3
209.15483	0.6
217.13370	6.8
218.14156	15.8
297.23022	1.1
400.00653	0.7
428.31799	0.6
576.56604	0.6
597.87091	0.7
669.32245	3.5
713.31354	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	712.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.9
70.06600	1.4
71.08849	0.6
72.08161	15.7
84.08149	2.7
88.26247	0.6
98.06038	0.9
100.07642	4.0
101.38251	0.7
101.55921	0.6
112.11242	4.4
123.04429	12.7
131.04852	0.8
136.07567	1.0
137.06044	0.8
163.03873	4.5
164.04259	1.1
164.07047	0.8
165.05450	17.8
167.07039	1.1
171.39088	0.6
177.05502	0.9
178.26013	0.6
179.07047	0.7
191.07048	13.1
192.07809	17.4
193.04985	3.3
193.08542	0.8
220.09598	1.1
221.10010	2.4
221.12863	1.3
222.11256	100.0
293.18759	4.9
307.12985	0.7
311.09106	0.8
315.12436	0.8
343.11765	6.1
456.25104	0.9
460.19363	0.7
488.17081	0.7
488.24051	1.3
520.73907	0.7
629.10913	0.7
712.34302	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14884	0.2
50.72911	0.2
64.73310	0.2
70.06570	0.3
71.04977	0.3
72.08133	0.3
76.77523	0.2
86.09657	0.2
111.04415	0.4
113.05985	0.6
114.09036	0.2
120.08031	0.3
124.07528	1.5
126.09142	0.3
138.05513	0.4
148.07568	17.6
156.04712	0.5
156.06552	4.0
157.04857	0.3
157.24931	0.2
182.06352	0.3
184.06044	24.5
215.11739	0.2
255.11278	0.3
267.11285	1.0
271.14316	0.3
285.12332	17.7
286.10687	1.0
303.13428	1.6
315.13382	3.5
331.12878	100.0
331.90524	0.2
332.13727	2.1
382.17886	0.4
454.19754	1.1
456.21698	0.4
712.30078	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	712.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22329	0.8
58.06606	0.9
70.06590	7.2
72.08154	12.3
76.07660	1.8
84.08144	5.6
86.09724	1.4
100.07612	4.9
109.75481	1.1
110.34261	0.9
112.11268	4.0
116.69173	0.9
123.04433	19.0
137.05989	1.2
153.05547	1.3
155.08170	2.2
155.11818	1.1
163.03932	5.3
164.07120	1.6
165.05479	22.1
167.07030	1.2
177.05481	1.4
191.07024	21.5
192.07805	25.6
193.04961	2.2
211.31247	1.0
220.09622	4.6
221.10126	1.5
222.11250	100.0
236.12971	1.3
251.13806	1.3
262.36554	0.9
293.18674	5.3
331.11771	2.1
343.11749	10.7
360.18201	1.1
433.33865	1.0
460.19556	1.5
467.11349	1.2
488.23859	2.3
579.51538	1.2
712.34326	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84176	0.7
57.08828	0.8
58.06596	1.6
59.56160	0.7
68.00007	0.9
69.90485	0.9
70.06589	7.3
70.32165	0.8
72.08156	14.1
84.08141	1.3
86.09733	1.2
92.17841	0.8
92.99648	0.8
100.07632	2.1
112.11279	4.3
114.09162	1.2
123.04428	17.8
129.13916	0.9
136.07550	1.6
137.06006	1.3
149.06030	1.7
152.07137	1.6
163.03911	6.4
164.07091	1.8
165.05501	18.2
166.08678	1.3
167.07019	5.9
170.09714	3.7
176.07051	3.9
177.05534	1.3
181.08655	4.8
188.57593	0.9
191.07069	4.3
192.06529	13.0
206.08247	0.9
220.09746	4.4
221.10063	1.8
221.12885	0.9
222.11269	100.0
251.13943	1.5
293.18649	3.7
310.10800	6.9
310.21240	1.6
312.12451	3.4
330.13510	1.6
342.13342	10.7
352.26956	0.9
431.38828	1.0
500.08365	1.2
623.30768	1.2
711.35938	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	712.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17166	0.1
55.44525	0.2
62.35721	0.2
93.07034	0.4
103.05465	3.2
107.04955	1.5
120.08109	100.0
131.04947	3.0
149.05997	2.2
166.08640	51.7
280.19443	0.2
337.09189	0.2
644.69519	0.2
701.00006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37666	1.5
62.07004	1.4
73.32894	1.6
97.20189	1.6
103.91006	1.4
130.04807	1.7
144.08095	26.9
165.27792	1.6
165.90085	1.7
170.09650	100.0
171.10420	20.8
175.43457	1.5
201.13869	2.4
202.14606	17.2
301.18906	2.3
441.15295	2.9
667.31860	2.6
711.31122	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21423	0.3
55.88222	0.3
63.18563	0.4
70.06591	0.4
71.06707	0.3
80.87525	0.3
82.98547	0.4
87.99715	0.3
90.54240	0.4
119.08582	0.4
120.08925	0.4
121.34894	0.3
137.79643	0.4
138.30342	0.3
142.55080	0.4
144.08081	25.8
145.08868	0.8
158.09627	2.0
167.37839	0.4
170.09641	100.0
171.10416	34.0
187.12248	0.4
201.13855	4.2
202.14645	53.0
233.15399	0.5
292.25876	0.4
301.19098	27.0
314.71112	0.4
362.16156	0.4
454.05435	0.5
711.29663	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57703	0.8
66.73370	0.7
67.96916	0.8
68.11780	0.8
69.03435	0.9
69.86595	0.8
74.73290	0.8
81.03406	1.0
85.02907	4.7
105.01893	1.2
109.02874	1.2
127.03918	1.6
144.08096	27.7
145.08846	0.9
163.03984	2.0
170.09650	100.0
171.10416	30.7
201.13898	1.9
202.14662	49.5
210.12729	1.3
212.10719	0.9
212.23648	1.1
214.89140	1.0
230.11859	4.0
256.13351	12.0
287.17612	1.2
295.06070	1.2
301.19110	20.4
439.45691	1.0
535.23077	5.9
667.30072	2.7
711.29663	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	0.9
81.70572	0.3
99.12479	0.4
135.22745	0.4
144.08092	27.6
145.08853	1.4
158.09669	0.7
159.10439	0.6
170.09650	100.0
171.10431	34.5
187.12263	0.4
201.13895	4.1
202.14659	47.6
208.06607	0.4
294.36353	0.5
301.19131	18.5
325.11115	0.4
347.60330	0.4
466.58194	0.4
538.55371	0.4
587.22699	0.4
650.38031	0.4
667.30518	4.2
711.29700	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	711.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21423	0.3
55.88222	0.3
63.18563	0.4
70.06591	0.4
71.06707	0.3
80.87525	0.3
82.98547	0.4
87.99715	0.3
90.54240	0.4
119.08582	0.4
120.08925	0.4
121.34894	0.3
137.79643	0.4
138.30342	0.3
142.55080	0.4
144.08081	25.8
145.08868	0.8
158.09627	2.0
167.37839	0.4
170.09641	100.0
171.10416	34.0
187.12248	0.4
201.13855	4.2
202.14645	53.0
233.15399	0.5
292.25876	0.4
301.19098	27.0
314.71112	0.4
362.16156	0.4
454.05435	0.5
711.29663	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89667	0.7
55.05509	1.5
57.03454	7.2
57.07087	0.8
57.14911	0.8
58.58236	0.7
61.02921	5.6
65.07655	0.8
67.05179	1.1
67.05513	19.5
69.03418	1.7
69.07066	5.2
71.05002	1.2
71.08609	0.7
73.02907	1.2
79.05505	8.5
81.03417	5.2
81.07070	28.0
83.04994	4.3
83.08618	5.2
85.02914	10.7
85.06554	3.3
91.03967	7.4
91.05475	6.1
93.07053	20.1
95.04980	1.9
95.08604	9.0
97.02889	4.8
97.06561	3.5
99.04432	1.7
99.08098	1.6
105.07055	1.5
107.04976	1.1
107.08612	12.2
107.98072	0.7
109.02916	1.2
109.10127	0.8
111.08049	3.2
112.04387	0.7
117.07022	3.9
119.08593	1.8
121.10132	7.3
123.11758	1.1
127.03941	4.6
129.06892	0.9
131.08572	4.3
133.10144	4.6
135.08075	1.3
135.11732	5.7
145.04913	1.4
147.11641	0.9
149.09596	1.0
149.13260	18.3
151.11221	1.1
158.17331	0.9
159.11702	13.0
163.05998	1.5
167.14296	0.9
177.12730	7.9
179.14299	1.1
195.13843	5.7
269.17480	100.0
294.61719	0.9
351.25449	1.4
385.13660	1.0
395.20670	1.5
400.71945	0.9
413.21765	9.2
431.23026	3.6
513.30573	1.1
548.91412	1.1
618.56549	1.0
651.61096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	9.4
67.05478	9.0
69.81911	6.7
81.03403	6.2
81.07053	11.5
85.02906	8.0
89.40799	6.6
93.07047	13.4
94.23632	7.3
95.08576	8.9
106.85619	6.0
107.08592	9.5
123.92725	6.5
132.64490	6.7
149.13258	13.5
159.11731	8.2
175.91299	7.7
269.17447	100.0
295.16559	6.6
413.22018	9.4
644.39795	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	710.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	1.0
62.75910	0.7
64.97170	0.7
70.06614	8.8
72.08160	16.1
84.08143	5.8
86.09679	0.8
99.34007	0.7
110.09684	0.9
112.11270	9.6
123.04483	0.8
129.13914	4.4
131.04967	1.2
135.04434	2.7
141.85394	0.8
145.02888	3.3
146.16530	1.1
153.05453	1.2
153.22871	0.8
154.08582	0.9
155.11810	4.7
160.05359	0.8
163.03905	76.9
165.05476	1.1
172.11191	1.1
177.85156	0.9
191.07068	21.9
192.07831	19.4
193.05008	3.3
219.11354	1.9
220.09695	91.0
249.12358	1.1
252.11191	0.8
264.12561	1.1
291.16980	1.6
309.18420	0.8
316.24307	0.8
321.18179	1.8
324.19467	1.1
339.21613	1.1
343.11734	10.7
460.19791	1.2
474.20764	1.1
482.23236	1.1
531.26917	3.2
548.29590	3.6
710.32861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	1.1
62.45049	0.9
70.06583	2.3
72.08163	14.3
84.08134	2.3
87.67716	1.0
101.62110	1.2
103.05440	2.3
112.11231	7.4
129.13893	2.1
131.04929	4.7
132.05684	2.6
139.19008	0.9
145.02896	1.9
146.16606	1.2
155.11786	4.4
160.05241	4.1
163.03905	54.1
163.07541	4.6
167.07031	2.5
177.05460	4.0
179.07057	4.7
180.07823	1.8
191.07028	57.3
192.07817	48.0
193.04967	12.4
207.06544	2.3
220.09685	59.9
222.11295	5.3
264.12421	1.9
329.02914	1.2
343.11703	8.2
383.11130	9.0
400.10501	1.2
458.18362	1.3
548.30096	1.9
710.32800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46871	0.5
70.06603	8.9
72.08163	15.0
75.09262	1.1
80.12857	0.5
83.66584	0.5
84.08138	4.5
90.41869	0.5
98.06137	0.7
98.09717	2.7
110.09705	1.2
112.11234	7.1
114.09193	0.7
129.13884	5.6
135.04437	2.2
145.02872	3.1
146.16551	2.9
149.06055	1.2
152.07082	3.5
155.11783	3.0
163.03903	68.0
164.07060	1.0
166.08675	1.1
167.06984	3.8
172.14433	1.0
176.07036	2.1
177.05518	1.3
181.08582	2.9
190.08771	0.5
191.07092	2.8
192.06569	14.6
193.27579	0.5
194.08058	1.0
206.08124	2.1
209.08086	0.5
218.08186	1.0
219.11394	1.0
220.09694	95.3
234.11203	0.6
247.07306	0.6
249.12428	0.9
252.63747	0.5
257.01990	0.5
265.15561	0.6
282.11145	0.5
291.16779	3.8
308.19659	4.8
310.10718	5.9
320.19745	1.2
330.13446	1.1
342.13382	10.1
547.31305	2.1
709.34479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2607
Annotation	Jasplakinolide
Peak:m/z	Relative Intensity
55.05507	2.5
55.77579	0.5
57.56115	0.5
69.03407	0.7
70.06589	2.7
70.94224	0.6
72.04494	0.8
72.08160	16.7
82.05483	0.6
84.08116	0.7
85.02901	5.0
89.10795	6.3
97.02869	1.2
98.06058	17.4
107.04967	2.7
114.09173	8.8
115.08691	12.9
120.08074	0.6
121.02850	0.7
125.14512	0.5
127.03951	1.2
135.04408	2.3
137.02356	15.3
138.05437	1.8
145.02884	3.9
163.03903	100.0
181.86212	0.6
183.11348	1.3
183.83871	0.6
192.10205	5.3
202.45020	0.6
207.02980	3.4
229.04884	0.7
231.02919	0.8
234.11285	4.8
249.04054	2.8
251.13890	30.1
255.06522	2.5
297.04245	0.8
297.07578	23.0
311.05499	1.0
322.37634	0.7
323.05533	7.1
323.09061	40.5
331.09769	0.6
341.06561	9.3
349.07071	13.4
393.64035	0.6
413.19083	8.0
417.09692	51.9
437.16891	1.0
459.10541	7.6
547.20752	24.3
643.60315	0.8
709.26013	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16908	13.2
71.69318	16.4
77.00603	22.4
89.06020	30.5
90.14869	16.0
95.01653	100.0
147.04704	76.5
161.06335	70.7
239.09499	59.9
243.86713	16.2
250.03418	15.9
256.36676	18.6
385.22025	18.5
428.11636	17.3
438.05676	17.7
494.77750	17.8
511.29282	78.5
619.86694	16.6
642.37006	15.9
659.79279	18.2
708.41870	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95037	7.7
57.07076	60.1
64.87636	9.3
67.86557	8.6
68.48159	8.4
68.93921	8.1
71.40823	8.4
87.04469	19.3
89.06019	95.6
111.77336	7.9
121.06557	19.6
133.08601	22.5
147.08093	16.0
199.70572	8.9
231.74757	10.2
233.19005	15.1
381.13248	10.0
543.35809	9.9
691.46051	43.3
708.49280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11230	0.8
93.43316	1.0
95.52331	0.9
98.26423	1.0
107.04968	1.4
133.02867	1.5
137.05998	1.9
165.05486	6.7
167.07045	2.2
179.07011	1.5
181.04964	16.2
189.06749	1.0
197.08083	8.0
207.06488	4.3
218.07225	1.7
231.08101	1.6
233.09599	2.3
241.08543	11.6
243.08084	1.6
246.06653	3.7
247.07552	2.5
248.08214	1.6
256.74734	1.1
259.07578	2.1
260.08279	3.7
261.09232	9.9
262.09900	2.1
263.07028	2.5
264.07996	1.1
267.08600	7.7
269.08109	5.8
271.09921	1.4
273.05637	1.6
274.06229	8.9
275.06961	4.5
276.07718	1.6
277.08533	4.6
278.09402	9.6
279.10199	1.6
285.07529	1.5
286.08313	5.6
287.06848	1.2
288.07764	17.9
289.08624	13.8
290.09351	4.2
291.06543	9.0
291.10300	4.6
292.07202	1.3
293.11646	7.6
295.09805	1.3
299.09167	2.4
300.10043	4.0
301.10779	2.4
303.06375	1.6
304.07346	1.6
305.08151	9.8
306.08856	10.5
307.09677	9.3
314.08023	1.7
314.11453	2.4
315.08691	4.2
316.07343	13.4
317.08017	11.5
318.08890	2.4
319.06088	3.7
319.09714	6.9
320.07043	1.4
320.10501	6.8
321.11182	12.6
322.11957	1.3
323.09143	8.5
329.10181	14.8
330.10928	2.0
333.07614	2.2
333.11115	1.4
334.08527	9.8
335.09088	11.3
336.09946	2.4
337.10880	3.8
338.11545	6.3
340.09409	1.3
348.10065	3.8
349.10660	38.7
350.11539	7.8
351.08438	5.9
351.12375	6.8
353.13806	2.3
366.10934	4.8
366.14871	1.4
367.11716	4.7
381.13309	62.9
399.14276	2.3
409.12836	1.4
441.15439	100.0
502.11984	0.9
589.19958	1.7
649.22803	5.9
709.24023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97211	5.7
59.04771	5.5
59.05014	100.0
69.93433	4.6
86.29768	4.7
91.05815	4.9
101.09631	5.8
103.07585	56.8
209.49603	5.7
239.09485	34.4
251.59052	5.2
479.01672	5.9
708.41986	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	17.8
78.68532	10.2
81.07065	25.5
88.21636	13.2
93.07059	42.8
95.08569	10.0
107.08578	14.2
133.10085	13.9
149.13287	16.6
269.17468	100.0
280.81577	11.9
330.26242	15.4
349.23810	19.0
371.52228	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	708.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	8.0
61.02933	7.1
67.05502	26.8
69.07075	5.0
79.05505	9.8
79.24698	4.8
81.03391	5.1
81.07059	30.1
85.02898	23.0
91.03967	9.8
91.05482	8.5
93.07054	18.1
95.08590	7.2
97.02871	6.2
105.07004	5.3
107.08601	9.4
108.50043	4.7
109.10135	5.9
121.10177	9.2
131.08527	4.5
133.10098	18.1
147.11687	6.1
149.13258	19.8
150.60558	4.7
159.11729	7.1
184.07481	5.7
226.16232	4.8
229.19731	5.4
258.40530	4.9
268.59998	4.6
269.17459	100.0
349.23856	28.1
401.67578	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	708.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61858	0.7
60.24979	0.6
63.20247	0.7
70.06614	0.9
70.58119	0.8
72.08153	11.8
86.03461	0.7
89.10780	7.7
92.18417	0.8
137.05991	1.0
145.02849	14.8
177.05460	100.0
186.97975	0.8
191.69055	0.8
248.12782	5.5
265.15457	53.1
281.85776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05019	0.9
85.67089	0.8
92.01319	0.7
104.05543	0.9
108.56417	0.8
119.01917	0.9
131.01881	1.2
137.01964	1.6
143.01904	36.3
143.03009	1.5
145.03462	4.1
152.02464	1.3
155.01895	9.0
161.02946	17.0
161.92996	0.8
164.02301	2.1
165.08734	0.8
165.33475	0.9
167.01872	6.5
169.03404	1.4
170.02197	0.9
173.02956	26.1
182.03456	7.7
185.02948	25.4
187.04451	1.2
194.03464	4.9
197.02963	4.6
203.03833	12.2
203.05664	1.3
215.04005	3.6
224.04547	1.3
227.04012	29.6
233.04991	1.6
245.05051	100.0
257.05069	1.9
261.04535	1.4
263.06134	18.1
275.06192	3.4
287.06152	1.3
305.07184	15.5
327.07828	0.9
365.10107	34.8
383.10312	24.4
425.11423	63.3
437.11371	1.5
448.25827	1.0
455.12607	6.9
485.13528	8.4
527.14178	1.2
536.15118	6.1
707.20679	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	707.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93797	0.5
67.50385	0.6
72.08132	0.6
72.93790	0.8
81.03427	0.6
81.32687	0.5
90.94817	0.8
128.96396	0.6
132.95842	2.9
144.95828	5.0
147.04442	0.8
150.96910	0.8
158.97401	18.8
162.96910	0.6
163.03882	0.6
168.95818	1.0
170.97392	1.4
174.96840	0.6
176.98473	4.1
178.97845	0.9
186.96902	9.0
188.98466	0.8
198.96825	4.0
202.97899	7.3
204.97887	0.7
214.27690	0.6
215.51669	0.6
216.97923	24.0
216.99911	1.0
218.97382	17.4
220.98978	8.0
234.98988	93.4
236.98444	10.9
246.96899	6.9
253.00108	3.9
256.98883	6.5
260.98447	38.7
262.99948	0.7
264.97952	8.4
272.98413	29.4
275.00027	2.7
278.99442	4.9
287.00027	20.0
290.99493	4.0
301.04498	0.7
302.99481	1.0
314.99274	0.9
333.00400	0.7
337.03238	0.7
345.00443	4.6
363.01602	66.4
381.02676	100.0
399.03726	1.4
420.27859	0.6
527.06104	1.4
543.07715	0.9
707.12555	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	705.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20181	0.4
53.42748	0.3
56.53001	0.4
58.09671	0.4
59.59928	0.4
61.37191	0.4
72.08163	26.3
76.61485	0.5
78.56960	0.4
80.29398	0.4
89.10798	21.9
98.06039	0.8
98.50420	0.4
108.40427	0.5
115.08697	1.1
126.12792	1.2
135.04385	0.8
145.02869	2.1
162.74673	0.5
163.03906	100.0
205.86670	0.5
234.11247	20.0
234.13419	1.0
242.14978	0.8
251.13905	79.3
287.07150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71183	1.7
59.01460	2.2
67.05530	1.9
69.03421	4.9
69.07072	3.1
69.31689	1.7
70.06593	11.1
72.08157	3.7
80.54926	1.6
81.03410	3.0
81.07063	4.7
85.02902	10.6
86.06074	44.9
91.05482	2.5
93.07106	2.2
94.26725	2.1
97.02879	4.3
98.09683	12.4
105.07010	3.1
109.02879	4.2
109.06561	1.8
116.10736	100.0
127.03909	13.4
136.11145	2.3
142.08606	1.8
147.11674	10.8
157.10083	3.0
163.03900	8.8
165.12816	2.8
212.16400	16.0
220.09691	2.7
221.08186	7.7
236.93336	2.9
282.24323	16.7
284.22238	9.9
285.27960	2.6
308.22177	8.9
310.89133	2.1
326.23233	12.9
344.24326	75.4
382.20938	2.3
409.60449	2.0
458.31262	10.8
461.36401	2.0
469.43842	2.0
548.30261	3.9
592.29681	81.8
644.37622	2.4
688.35046	2.9
706.34827	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	705.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03637	0.6
58.06579	0.8
63.82617	0.7
77.71217	0.7
85.02930	0.7
121.54061	0.7
133.06459	1.0
144.08093	24.8
158.09683	3.3
170.09644	100.0
171.10428	31.9
187.12375	0.8
198.12784	1.1
199.12317	14.6
201.13887	6.5
202.14653	41.7
213.13696	1.9
241.17108	1.5
255.18637	0.9
269.20197	1.7
271.18182	1.0
285.19705	2.8
301.19275	1.0
368.24612	1.4
383.23273	13.6
517.45355	0.8
585.37915	7.3
662.61652	0.8
705.28656	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	705.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20582	0.4
58.62420	0.5
70.06601	0.5
72.55036	0.5
81.07043	0.7
96.06443	0.7
98.97571	0.6
105.50192	0.6
122.09649	0.8
144.08089	26.4
145.08873	1.0
158.09662	2.6
170.09650	100.0
171.10431	34.0
186.11555	0.7
187.12329	0.7
198.12793	2.1
199.12326	15.6
201.13867	7.2
202.14661	41.2
213.13841	0.7
247.96645	0.5
264.50632	0.6
269.20221	2.4
271.18140	2.0
285.19745	2.8
287.21112	0.6
289.16956	0.6
301.19211	1.0
368.24808	0.9
383.23288	14.9
399.26514	0.7
438.53500	0.5
460.25781	0.6
585.37976	8.5
665.99036	0.6
705.28650	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	705.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08128	1.0
89.84010	1.0
101.69982	0.9
134.20724	0.9
144.08110	26.6
146.36060	1.0
158.09677	1.7
170.09653	100.0
170.19594	1.0
171.10432	32.3
198.12799	1.1
199.12291	19.3
201.13875	6.2
202.14659	42.2
213.14049	1.2
231.01303	1.0
238.62534	1.1
269.19934	1.2
285.19644	3.9
383.23242	14.2
416.47345	1.1
585.38037	6.0
705.28668	46.9
710.69653	1.3
717.19604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62710	0.6
72.08182	0.6
86.09625	0.8
92.17915	0.7
108.08092	0.7
144.08095	27.3
158.09703	3.4
158.99925	0.8
170.09645	100.0
171.10428	36.9
198.12747	1.5
199.12314	17.4
199.14006	1.1
201.13852	7.5
202.14655	39.5
213.13844	1.0
269.20126	2.8
271.18079	1.4
285.19403	1.1
301.19125	1.6
367.23459	0.7
383.23276	13.6
585.37946	6.6
705.28613	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	704.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55536	0.6
53.85585	0.6
58.92037	0.7
59.44496	0.7
63.58644	0.7
79.05501	0.9
85.02917	2.7
91.05470	3.0
93.03403	1.6
95.04966	0.8
97.02898	0.9
101.32069	0.7
103.05440	2.9
105.07036	11.0
106.04173	1.5
106.63348	0.7
107.04969	5.4
109.06504	1.0
117.07050	0.8
118.04159	1.2
119.04935	3.7
121.06522	6.9
123.08069	1.2
125.05968	3.0
130.11334	0.7
131.04930	9.2
133.06497	13.2
135.04417	1.3
135.08058	4.3
137.05984	14.4
149.05980	16.4
150.06754	6.6
151.07536	8.2
153.09102	3.2
161.05966	8.0
163.03857	2.6
163.07530	42.8
165.09113	12.9
167.07027	40.7
169.43230	0.8
171.57516	0.8
177.05626	7.6
177.09097	87.9
179.01701	0.9
179.07050	5.1
181.08595	10.6
191.07025	1.5
193.08603	100.0
194.09142	0.8
195.10188	8.8
197.11769	1.0
209.08078	44.8
211.09642	97.7
221.11725	20.1
223.04245	19.0
270.07147	0.8
312.09021	4.6
330.10178	3.2
345.16916	14.7
363.18005	1.2
391.17578	3.8
403.17477	1.8
421.18628	0.8
542.20361	4.5
594.45642	0.9
704.25293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82550	0.1
59.40203	0.1
60.25434	0.2
61.02942	0.2
63.06570	0.1
69.03437	0.2
81.03443	0.2
85.02911	2.5
85.85835	0.1
88.33408	0.1
97.02890	0.6
101.78087	0.2
103.05463	1.7
117.07019	0.2
121.06475	0.2
122.03668	0.2
127.03902	0.2
131.04926	9.8
135.08054	0.2
137.05981	12.9
143.08598	0.3
145.04955	0.2
145.06506	0.2
151.07556	2.7
161.05946	0.2
162.06757	0.3
163.07535	44.8
167.06979	0.3
171.08072	0.9
175.07539	1.7
177.09103	100.0
187.07486	0.2
193.08719	0.2
195.10178	4.9
203.10628	1.2
209.08055	0.2
211.09624	0.3
221.11725	26.2
260.80072	0.2
299.12839	0.8
311.54263	0.2
327.15823	0.3
334.31430	0.1
345.16971	19.8
354.86850	0.2
363.18158	1.6
387.05954	0.2
407.18613	0.2
440.43979	0.2
560.69574	0.2
668.86951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82247	2.1
57.07085	60.4
66.32623	2.8
69.07066	6.7
71.08634	50.2
73.06552	4.5
79.69692	2.9
83.08620	3.4
85.10185	32.7
87.04469	12.8
89.06032	100.0
111.47790	2.7
118.24100	3.3
129.59619	3.6
133.08609	31.0
177.11212	13.7
184.07327	13.2
271.26276	5.8
315.29095	6.4
507.94119	3.1
685.51147	26.9
702.53741	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56501	1.8
61.77267	1.9
62.89578	1.7
70.78485	2.1
87.01336	2.1
90.66783	2.1
105.04961	2.4
108.02096	2.1
123.40311	2.0
146.86600	1.9
147.21309	2.1
175.98613	2.6
266.17923	2.2
267.16293	6.8
285.17386	100.0
303.18335	18.9
327.18338	21.2
401.22131	73.9
626.34778	2.7
653.14294	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	702.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	34.7
69.07060	3.0
71.08628	29.4
73.06552	4.3
82.11086	1.9
85.10176	12.2
86.09700	4.0
87.04455	4.3
89.06035	100.0
117.27854	1.8
133.08617	27.5
176.25420	2.2
177.11218	12.6
180.29004	2.1
183.21191	1.9
184.07330	22.4
221.13788	4.2
227.23749	1.9
234.92876	2.1
235.37999	2.2
271.26266	4.1
276.10959	2.0
296.53943	2.0
315.28827	3.1
503.30811	4.2
620.94690	2.1
685.51190	33.9
702.54108	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34304	0.6
57.03444	0.7
57.07082	5.0
58.06616	8.0
59.07388	2.8
60.08178	3.1
66.71620	0.7
71.08625	1.5
77.50021	0.8
85.10178	1.6
87.04484	1.3
89.06049	8.7
95.04957	0.8
95.08543	0.9
108.51324	0.8
113.06039	1.5
125.47796	0.7
133.08591	1.9
144.10216	16.2
156.09180	0.7
162.11249	5.0
177.11185	0.9
220.02032	0.8
233.62572	0.8
236.14929	100.0
263.80310	0.8
313.27432	1.2
372.87296	0.9
410.25162	5.8
428.26483	6.2
456.36826	10.3
474.37784	16.2
503.30847	0.9
666.49396	75.3
685.50787	1.2
702.53046	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	702.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27054	0.6
58.06610	34.8
59.07390	22.3
60.04526	2.4
60.08172	41.2
65.83443	0.5
70.06596	6.0
71.07382	0.8
72.08170	1.2
76.12989	0.6
88.03989	1.1
90.51289	0.6
91.05473	4.2
92.17831	0.7
103.05507	1.2
104.06265	7.9
105.07042	1.3
106.05026	0.8
110.06050	7.1
120.08106	23.9
130.06544	0.9
131.04927	18.3
134.09694	2.5
136.07588	15.7
142.77301	0.6
144.26645	0.5
146.06021	1.4
148.07666	1.4
148.11197	4.3
159.08081	0.9
172.11206	2.5
173.09595	1.3
176.10716	14.2
186.09177	1.3
188.10701	15.3
198.09184	0.8
199.07585	0.7
200.10710	8.4
201.11456	4.5
202.12256	2.5
207.14957	3.9
215.08211	0.9
222.12872	1.1
228.10220	1.1
232.46651	0.7
238.12253	0.6
259.18057	7.2
264.12393	1.4
287.17496	0.7
290.15598	1.0
319.18393	0.9
323.17700	0.8
335.17798	2.6
423.40958	0.7
560.29962	0.7
674.35248	3.9
702.35034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48363	0.2
69.03426	0.4
70.26583	0.2
73.02917	0.2
75.12460	0.2
85.02905	3.2
94.44084	0.2
97.02867	0.9
103.05485	0.3
119.08508	0.3
127.03909	0.5
129.06985	1.2
131.04933	1.3
131.08551	2.2
137.05975	4.9
141.07014	1.2
145.04958	0.8
147.07986	0.4
157.06494	4.0
159.08064	4.8
161.09789	0.3
163.06314	0.4
163.07520	2.8
169.06543	1.9
170.07190	0.3
174.06750	4.2
175.07555	11.0
186.06773	1.3
187.07541	0.5
189.09113	24.3
191.10652	2.9
201.09117	8.3
203.10696	0.3
205.59590	0.2
207.10246	0.9
219.10167	100.0
237.11195	3.8
252.70940	0.3
263.51791	0.2
325.14331	2.0
343.15399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34013	0.6
58.06612	31.4
59.07393	19.2
60.04530	1.2
60.07870	1.3
60.08176	37.7
62.21289	0.6
70.06602	4.4
71.07374	1.0
72.08164	0.7
79.86797	0.5
82.46601	0.6
88.04009	0.8
91.05507	3.0
96.04569	0.7
103.05490	2.5
104.06254	8.1
105.07034	1.4
110.06075	5.1
112.95682	0.7
119.04958	0.7
120.08112	17.9
130.06566	0.9
131.04939	17.0
134.09694	1.4
136.07591	14.4
146.06029	1.2
147.08037	0.7
148.07561	0.7
148.11192	4.9
159.10471	0.8
172.11273	1.1
173.09593	0.8
173.69142	0.6
174.12868	0.9
176.10677	10.4
177.05550	1.1
186.09227	2.5
188.10719	14.4
200.10753	7.5
201.11572	5.0
202.12436	1.1
207.15060	3.6
216.10289	0.6
221.08086	9.8
222.12766	0.8
228.10153	2.1
237.07587	1.1
241.58461	0.8
251.09189	0.8
259.18015	7.4
264.12436	0.8
309.12482	0.9
335.17615	1.1
347.17621	0.8
613.48352	0.8
674.35760	2.8
702.35272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05183	0.5
69.03419	0.7
69.23746	0.5
69.53653	0.5
69.69747	0.5
81.27462	0.5
85.02912	5.0
91.05466	1.3
97.02916	0.7
109.06512	0.8
119.04926	3.1
121.06482	0.7
131.04944	2.2
133.06496	0.9
137.05984	24.5
145.06483	1.0
149.05960	5.8
151.07547	50.7
157.06490	4.9
161.05965	3.2
161.09618	1.0
163.07527	15.4
165.09068	1.3
167.06982	0.9
174.06801	0.6
175.07541	10.1
177.09120	5.5
189.09113	18.3
195.08051	2.8
207.10167	3.3
209.09656	0.7
219.10138	0.8
221.05865	1.7
221.09642	0.8
223.07462	3.8
225.96275	0.5
227.10640	11.9
244.29425	0.7
249.09109	3.1
253.08629	3.6
253.12234	6.0
255.07483	0.9
255.10139	20.0
267.10257	1.3
269.11795	0.7
274.47144	0.6
281.11749	3.1
284.10458	1.1
285.11212	12.1
287.12784	22.2
293.11798	0.7
299.12854	1.2
311.12836	0.8
313.14346	8.5
325.14389	1.3
331.15381	100.0
343.15448	4.0
493.20715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56932	0.4
53.03945	0.5
69.03429	0.7
70.06602	0.7
70.35621	0.5
70.92247	0.5
72.08140	0.5
81.03419	1.9
85.02903	5.3
87.00826	2.2
97.02912	1.7
98.58483	0.5
105.01871	1.6
105.07029	0.7
107.04940	1.9
109.02868	1.1
123.04430	0.7
127.03896	2.7
133.06480	2.0
137.05971	0.8
145.06525	0.4
147.08054	0.7
149.05942	0.5
159.02917	0.8
161.05965	1.9
163.03909	1.1
167.07036	100.0
173.06018	1.0
173.95702	0.5
175.07550	1.0
181.08618	2.5
193.08606	15.1
205.08592	2.2
207.10162	0.8
211.09666	19.8
227.09224	0.9
235.09769	0.8
253.10680	0.6
301.10892	0.7
319.11780	1.9
325.57913	0.5
337.12732	0.5
423.13071	0.9
439.97495	0.6
441.14166	2.1
702.32202	0.6
710.74689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85166	0.7
57.76342	0.6
59.53338	0.6
59.65871	0.5
60.05870	0.7
62.03038	0.8
62.96106	0.6
67.55990	0.8
69.03442	1.1
81.03394	0.7
85.02900	4.9
91.05470	1.6
96.10040	0.7
97.02898	1.2
107.04955	0.9
119.04894	3.3
121.06464	1.0
129.07034	1.0
131.04927	3.4
133.06451	1.1
135.08066	1.3
137.05983	28.9
147.08035	1.2
149.05980	6.0
151.07550	49.2
157.06445	3.1
161.06001	3.9
163.07535	16.3
165.09094	1.0
174.06792	0.9
175.07542	17.5
177.09073	4.2
189.07539	1.5
189.09109	19.4
195.08025	3.5
207.10149	2.7
209.09589	1.1
213.49530	0.8
220.16339	0.8
221.09561	2.7
221.11732	0.7
223.07524	2.9
227.10648	13.1
237.41321	0.7
241.11909	1.2
249.09065	1.5
251.10994	1.0
253.08630	3.2
253.12260	8.9
255.10187	18.6
267.10294	1.2
269.11600	1.2
281.11703	3.6
284.10428	1.1
285.11179	11.8
287.12778	27.9
313.14374	8.6
325.14240	1.7
331.15390	100.0
341.56189	0.7
343.15463	7.1
370.80862	0.8
430.09296	0.8
493.20856	0.9
630.94348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92848	0.9
51.63568	1.2
61.53542	1.0
69.03429	5.5
70.06593	7.0
72.08167	2.1
81.03399	1.2
81.07058	2.3
84.08146	1.3
85.02916	10.5
87.00832	2.8
97.02908	2.2
104.95358	1.1
105.01919	1.5
109.02887	4.9
110.61272	1.1
111.71469	1.3
123.08065	1.9
127.03906	6.5
133.06537	1.5
142.68268	1.6
161.05948	3.0
163.03893	2.9
167.07037	100.0
173.06104	1.4
181.08702	1.4
193.08624	16.1
211.09677	24.7
221.08067	1.9
239.58250	1.1
253.10913	1.6
267.98032	1.3
423.13019	1.3
528.86871	1.3
630.97278	1.3
670.28204	2.8
702.25568	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	701.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30088	1.7
58.00136	1.7
59.74618	1.6
63.17409	1.9
110.64136	1.8
121.25152	1.9
140.97343	2.2
151.29730	2.1
165.23816	1.8
210.98286	2.0
345.53363	2.1
539.31750	27.8
541.13477	2.2
600.08099	2.0
701.37158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
63.24765	0.4
65.03940	1.0
66.70948	0.4
75.04470	2.1
75.78892	0.4
78.04700	0.6
79.05492	0.7
85.02904	4.5
89.06025	0.8
91.05495	4.3
93.03408	15.7
93.07035	5.4
95.04948	1.8
97.02901	0.8
97.06519	2.0
103.05497	3.1
105.07000	0.9
106.04183	16.4
107.04961	0.8
121.06502	24.9
121.54316	0.4
123.04433	0.5
125.05991	10.6
131.04924	0.9
133.06483	1.0
134.03609	1.9
135.04376	0.7
137.05994	2.9
139.07524	2.8
145.02844	1.8
148.05186	1.9
149.05983	67.4
151.07570	3.4
153.05507	1.0
153.07941	0.8
153.09102	16.7
161.06024	2.0
163.03876	2.2
163.07520	3.0
166.06258	0.9
167.07037	3.9
172.06572	0.4
175.07516	1.8
177.05460	32.9
181.08600	26.5
181.09808	0.6
191.07030	4.3
193.08586	4.6
195.08887	0.5
207.08925	1.9
209.08093	100.0
223.04227	22.1
247.41176	0.5
312.08987	7.1
330.09979	6.3
371.13373	2.1
387.14297	2.0
389.15561	0.7
401.15964	0.8
419.16922	0.7
492.15314	0.5
540.19226	0.8
648.85248	0.4
681.02570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91850	1.9
66.69461	1.9
85.74924	1.7
88.31441	1.7
94.19561	1.8
102.68647	1.7
137.05971	11.1
161.89137	2.0
208.98660	1.7
352.05362	1.9
365.10507	7.0
393.23468	2.3
539.31952	32.9
701.37164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05307	0.7
54.10499	0.8
55.34689	0.8
58.06615	14.8
60.08178	1.1
61.75071	0.8
66.77113	0.8
70.06602	13.6
72.08157	9.7
83.17890	0.8
84.08151	21.6
85.51842	0.9
87.05681	0.9
95.06109	1.4
100.07606	3.8
103.03052	1.0
112.10004	1.7
112.11244	4.6
113.01710	2.0
115.03283	1.3
123.04424	16.8
125.01726	4.2
127.03259	5.8
135.05487	1.3
136.07671	1.0
139.12300	4.3
155.11797	1.1
163.03891	8.8
164.04272	1.6
164.07060	1.4
165.05481	44.2
165.06870	1.9
167.01604	5.6
179.10649	1.1
185.09882	5.6
186.10561	1.8
192.11287	1.3
220.09659	11.3
221.10327	4.8
222.11263	93.2
234.11336	2.2
234.13588	1.5
236.12769	7.3
247.14568	0.9
251.13948	7.0
251.52597	1.0
252.06915	18.8
261.07007	1.0
261.16022	4.3
265.15414	10.4
276.07950	1.4
277.06406	10.5
279.17023	2.2
288.08240	1.3
289.06525	3.8
291.08206	1.0
292.17941	1.8
293.18768	1.7
305.05942	1.9
307.07538	1.0
310.21396	1.2
318.08972	1.0
324.05936	1.0
330.54587	1.0
334.12125	2.2
346.12192	4.6
348.13635	4.1
362.11798	3.7
364.13327	1.5
375.15088	2.1
377.16400	10.8
389.16479	1.0
425.24326	1.0
455.24368	1.5
472.24591	1.3
473.25159	3.6
596.25885	1.2
598.26996	4.0
614.26709	5.3
642.25659	14.1
657.34253	47.5
701.33179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1494
Annotation	Theaflavate B
Peak:m/z	Relative Intensity
50.21725	0.8
63.24328	0.9
69.03436	2.0
70.06590	1.4
80.00279	1.1
82.91608	0.9
85.02901	1.4
92.18474	1.3
97.02892	1.4
121.02901	1.1
163.03944	4.0
167.07066	1.4
181.05014	1.2
206.69998	1.1
270.05298	1.4
335.05392	1.1
377.06665	8.2
383.27402	1.2
387.08722	1.2
403.04419	18.3
421.05469	1.6
497.08810	1.5
533.53809	1.1
539.09760	100.0
701.15070	50.3
701.26056	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	701.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86950	3.0
58.96047	3.0
79.05502	3.7
107.04945	5.8
117.06994	3.9
145.06462	6.5
162.11041	3.2
167.07027	48.2
173.05966	15.8
175.07503	4.1
181.04959	100.0
205.08664	4.9
207.06274	3.3
233.08075	5.2
235.09642	7.2
266.25116	4.1
385.13037	3.8
397.12967	6.5
415.14020	19.0
457.04294	3.5
457.15030	12.2
469.14401	3.8
475.16284	3.9
641.22321	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	700.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84865	24.6
57.07065	32.1
67.47799	24.3
71.08621	38.0
78.71771	21.2
80.84154	22.3
84.18256	28.2
85.12069	25.6
89.06045	100.0
142.59961	26.4
183.46858	26.4
192.01958	26.8
319.61160	28.0
416.88504	26.4
683.52368	42.4
700.55774	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.6
69.03439	0.9
80.81588	0.5
81.03403	0.7
85.02927	7.3
97.02879	1.5
111.04475	0.6
115.05471	1.4
122.03532	0.6
127.03928	1.5
129.07025	1.3
131.04968	0.7
137.05986	63.5
143.04918	12.2
145.05003	0.8
145.06435	0.8
145.14648	0.6
153.05496	1.5
157.06511	3.2
160.05190	6.4
163.07539	2.9
174.06816	0.9
175.07538	100.0
180.08797	0.7
185.05984	0.6
187.07550	30.0
189.09102	8.6
199.07745	0.8
205.08582	13.5
217.08582	2.7
225.76712	0.6
235.07292	1.5
235.09650	44.4
239.07025	2.6
256.60608	0.6
259.07468	1.0
263.10709	2.4
266.75247	0.6
270.08810	2.5
271.09583	2.5
276.07855	0.7
279.10220	2.5
291.10156	5.7
303.67343	0.7
308.10403	0.6
311.12787	1.3
323.12714	4.8
341.13846	17.2
341.17776	1.2
692.36755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
53.78514	0.2
55.01864	1.2
57.03435	0.3
59.97403	0.2
61.02932	0.3
62.63407	0.3
68.99788	0.4
69.03435	3.2
71.04986	0.5
73.02921	0.7
76.71972	0.3
77.80684	0.3
81.03428	4.2
85.02914	8.1
87.00842	3.6
97.02901	4.0
97.75164	0.3
99.04454	1.9
105.01905	2.4
105.07033	0.4
107.04935	1.5
109.02896	5.0
116.51275	0.3
117.01863	0.5
123.04452	0.4
127.03908	5.1
129.01881	0.4
133.06464	2.4
134.71907	0.3
135.08020	0.4
137.05988	2.5
143.04973	0.8
144.05273	0.4
145.04991	0.8
145.06487	0.6
147.07990	0.4
151.03896	1.2
159.02850	1.5
161.05971	2.4
163.07545	2.0
167.07039	100.0
173.05943	0.7
175.07619	1.2
179.07048	0.4
181.08545	2.3
186.09326	0.4
190.67570	0.3
191.07138	0.3
193.08617	17.0
195.10193	0.5
203.06946	0.4
205.08615	1.3
207.06525	1.4
207.10071	0.4
211.09653	26.7
212.13298	0.3
217.08673	0.4
221.08215	0.4
225.07570	0.7
231.05086	0.7
235.09639	0.5
251.09018	0.3
253.10751	0.5
265.22681	0.4
295.11932	0.4
301.10724	1.2
319.11865	2.6
337.12741	1.5
405.11594	0.4
423.13037	1.6
441.13895	1.6
514.28058	0.5
700.26233	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	699.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75096	1.8
65.09799	2.2
65.67593	2.3
67.56821	2.0
84.46304	2.1
96.35629	2.2
134.85251	2.4
149.32414	2.2
212.54921	2.2
215.31793	2.3
263.74194	2.5
270.36197	2.3
353.75372	2.2
365.10577	3.7
481.22925	2.4
537.30292	26.7
571.59802	2.3
699.35541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32525	1.8
91.23117	1.9
111.40311	2.0
113.62963	2.0
185.64883	2.1
189.43802	2.5
206.63255	2.4
302.93771	2.2
347.09491	2.7
537.30457	34.1
699.35632	100.0
699.47272	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	699.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58752	0.7
54.64568	0.9
58.06612	10.9
60.08173	1.1
65.30836	0.8
70.06599	6.9
70.42113	1.1
72.08155	4.6
78.82441	0.7
84.08149	10.3
86.70900	0.9
87.09223	0.8
108.48133	0.8
111.10481	1.1
112.11243	1.8
113.01711	1.8
115.03258	1.2
123.09224	3.6
125.01704	1.9
126.02502	1.0
127.03235	2.1
145.02898	1.3
155.11752	1.3
163.03906	60.1
165.05455	18.3
185.09775	3.3
186.10693	1.0
219.11307	3.3
220.09702	100.0
221.12822	2.0
231.11270	2.0
234.11270	1.4
236.13007	1.1
245.12863	8.0
246.13779	1.3
247.05426	1.5
249.12363	1.9
259.14359	3.4
265.15469	1.9
271.14877	1.0
274.16238	1.0
277.06448	13.1
279.17090	1.7
288.08078	3.3
289.06424	3.5
291.07889	1.2
291.17145	3.5
307.07382	1.1
308.19553	1.5
309.20599	1.1
331.19229	1.2
346.12201	1.0
348.13501	1.4
363.15262	1.1
375.14777	1.4
377.16364	8.1
423.96652	1.2
432.20483	3.1
452.21783	1.4
453.22592	6.4
484.19394	1.1
539.66504	0.9
596.25818	1.8
612.25092	5.4
640.24579	13.1
655.32794	48.1
691.67816	1.1
699.31805	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60539	1.6
56.26491	1.9
64.04262	1.9
69.03429	2.3
75.77781	1.6
85.02901	7.1
109.75838	1.9
125.06002	3.4
131.04877	1.9
135.09769	1.7
136.53754	1.9
137.05975	92.9
143.04930	59.5
143.82541	1.7
149.05991	2.4
151.03915	34.6
152.17787	1.7
161.05997	2.8
161.54451	1.9
163.07565	14.3
170.09663	2.8
175.07552	17.4
177.05452	2.0
203.07111	9.1
205.08630	4.0
207.08176	2.3
215.06976	2.4
249.09270	2.1
266.09302	1.8
267.10126	16.4
281.11603	18.8
299.12830	20.2
299.15732	2.2
303.12854	1.9
339.12268	8.1
353.30020	1.9
537.21112	3.4
689.29095	2.1
699.26392	100.0
699.38470	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	698.412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03612	10.1
53.38476	12.2
59.10535	11.3
64.00201	11.8
76.67755	13.4
81.07072	13.7
83.08643	16.8
83.91364	14.3
85.02879	16.3
95.08614	25.8
105.07027	17.4
105.30072	13.9
107.08639	26.9
117.47977	12.3
119.08542	30.3
121.10164	20.1
131.08536	14.1
133.10100	25.1
145.10136	26.7
147.11742	18.7
161.13268	21.0
173.13211	17.3
175.14787	24.9
187.14841	87.6
199.14911	30.0
201.16368	27.4
203.14381	13.8
213.16322	21.8
249.14894	19.2
267.48132	13.9
267.50940	17.0
284.00574	15.5
323.25717	14.2
391.30258	23.0
437.30859	21.3
455.31680	100.0
473.32709	74.5
483.30899	22.0
501.32159	77.5
519.32941	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	699.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05343	1.5
53.89002	1.4
54.52700	1.1
69.03417	1.9
70.06586	2.0
81.03400	1.7
85.02911	2.6
100.42794	1.6
114.59253	1.4
125.06000	1.9
127.10645	1.4
131.04910	2.4
137.05984	86.4
143.04926	64.0
145.06529	1.9
147.47583	1.9
151.03931	35.7
151.07562	2.1
153.66254	1.5
159.08188	1.5
160.07588	2.8
161.05972	2.1
162.06964	1.5
163.07570	15.1
167.07001	3.5
175.07570	15.7
186.09149	11.1
203.07080	7.0
205.08647	3.1
266.09476	2.4
267.10178	13.8
281.11642	17.6
299.12805	18.8
339.12405	7.6
365.93466	1.8
537.21088	1.8
699.26538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
54.11250	1.1
55.05515	1.3
57.07094	1.4
59.47896	1.2
61.02925	1.4
62.58546	1.2
67.05512	5.5
67.27796	1.4
69.03443	12.8
69.07062	8.0
70.06588	1.7
71.01338	1.3
71.04996	14.6
72.08155	1.3
77.50085	1.1
79.05498	8.3
81.03420	6.2
81.06611	2.3
81.07067	52.5
83.08621	2.5
84.08129	1.9
85.02914	100.0
85.98011	1.3
86.09723	1.3
87.00817	15.1
91.05482	6.1
92.29720	1.5
93.07056	23.3
95.04999	1.7
95.08604	18.2
97.02903	20.0
97.10098	1.5
99.04456	7.2
99.08098	2.3
101.02401	1.4
103.03960	1.8
105.01878	31.5
105.07040	39.0
107.08601	31.9
109.02885	16.9
109.10172	32.6
113.02403	1.8
117.07024	1.3
119.08587	71.4
121.10155	8.6
123.04358	1.5
123.11681	11.6
127.03923	44.9
127.11220	19.6
129.01842	2.9
133.10143	24.5
135.11702	69.2
137.05963	2.2
141.01813	22.8
143.04913	2.5
143.10721	5.3
144.59210	1.5
145.04938	12.7
147.02841	1.7
147.11705	22.5
149.13252	6.2
151.03911	3.1
153.12727	5.6
159.02985	9.6
159.11674	2.0
160.74706	1.4
161.13301	11.0
163.14830	3.3
169.04901	1.6
171.02960	2.1
189.03995	2.2
189.85510	1.5
203.17949	52.1
205.08612	2.0
213.04109	2.2
221.19016	99.6
223.09782	1.4
231.04947	23.4
239.20030	1.6
249.06065	17.5
261.06085	7.7
265.08575	1.8
273.06122	2.1
285.06097	3.1
303.07275	6.1
348.15631	1.4
371.06021	1.7
389.07184	13.3
407.08185	18.2
425.09332	28.7
476.18021	1.7
698.25952	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	698.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97843	1.4
55.05504	1.6
57.03434	2.1
59.32760	1.3
60.32272	1.3
61.02921	2.0
62.94396	1.4
66.75185	1.3
67.05515	2.4
67.35970	1.6
69.03436	13.6
69.07061	2.6
79.05498	2.1
81.03429	7.7
81.07063	7.5
83.05021	2.7
85.02911	100.0
87.00838	13.4
90.98251	1.5
91.05464	2.3
92.18347	1.8
93.07065	7.4
95.04984	3.8
95.08608	17.6
97.02899	22.7
99.04443	2.9
105.01872	31.7
105.07037	12.4
107.04935	1.6
107.08594	8.5
109.02888	19.1
109.06530	3.6
109.10143	6.7
113.02365	2.1
119.08566	18.5
121.10133	9.2
123.04458	1.7
123.08058	3.0
127.03910	42.4
129.01834	6.8
131.08559	2.3
133.10126	19.0
135.08009	2.0
135.11690	5.9
137.09602	7.6
141.01834	17.0
145.04959	11.0
145.10193	14.0
147.02881	2.0
147.08098	3.5
147.11697	7.3
149.13123	1.9
151.14766	2.2
155.72412	1.6
157.10216	2.1
159.02904	9.5
159.11722	6.0
161.09604	2.8
161.13242	19.3
163.11198	3.6
163.65970	1.5
165.09148	6.2
170.10858	2.7
171.02872	2.0
173.13263	3.4
175.14798	18.5
177.12782	1.6
185.13293	20.2
189.03969	6.2
193.15901	1.5
203.14282	21.2
205.12994	1.4
207.10150	2.9
213.03812	2.4
221.15381	20.4
231.04985	24.5
243.04675	1.6
249.06128	10.4
261.06012	7.0
273.06149	2.4
285.06152	2.0
295.05902	2.3
303.07092	8.7
325.07239	2.7
326.07474	3.7
337.07077	3.3
338.07413	7.2
373.15945	1.6
379.08038	3.2
380.08536	7.0
389.07019	11.0
391.07901	3.6
392.08420	7.1
395.13257	1.6
407.08286	17.8
410.09698	1.8
425.09048	15.0
434.09769	2.3
446.09427	1.9
572.14801	2.4
589.17505	10.2
590.15546	3.2
644.17163	3.0
662.17871	11.8
680.18951	11.1
698.20129	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	697.3288
Annotation	Pipeloside A
Peak:m/z	Relative Intensity
53.92564	0.6
55.05524	1.0
55.10598	0.6
57.03450	0.7
61.02932	2.9
67.05498	4.0
69.03436	6.0
69.07071	6.0
70.06586	0.9
71.04985	1.1
81.03456	2.2
81.07062	5.0
83.04990	4.2
83.08630	2.8
85.02911	40.8
85.06541	1.4
91.03941	1.7
93.07041	3.4
95.08616	15.3
95.33588	0.7
97.02886	10.5
97.10193	1.1
99.04478	0.9
99.08064	3.2
105.07030	1.5
107.08605	8.3
107.09270	1.0
109.02882	4.3
109.06532	3.2
109.10162	58.3
111.08061	1.3
113.09638	1.0
119.08577	23.1
121.10125	7.1
123.08074	6.3
123.11708	4.6
125.09583	1.1
127.03928	11.9
133.10136	15.2
135.11694	69.3
137.09647	12.1
145.04973	15.7
147.11673	1.0
149.13243	4.2
151.11253	5.4
151.14825	7.9
153.12772	2.8
160.07384	0.8
163.06055	7.2
165.16357	3.1
167.06949	0.8
175.14832	31.3
193.15877	41.2
211.16933	100.0
212.10635	0.9
289.09061	1.2
325.11218	14.1
365.76395	0.7
371.74176	0.8
373.22137	12.2
425.13541	0.8
474.86081	0.9
518.84937	0.9
547.42590	1.1
573.89142	1.0
629.62543	0.9
697.27728	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70659	1.1
53.43226	0.9
53.80487	1.2
55.05545	1.0
55.30581	1.0
55.93494	0.9
56.38024	0.9
57.59026	0.9
57.85339	1.1
58.06612	13.7
60.08166	1.0
64.25182	1.2
64.97134	1.0
66.18137	1.0
70.06605	9.6
72.08167	18.3
72.41433	1.2
83.06083	1.4
84.08153	29.4
98.06069	1.3
101.07152	4.8
110.09685	2.6
112.11280	1.6
113.01669	1.4
113.07167	12.5
125.01709	2.3
125.07075	1.2
127.03265	6.4
129.13864	1.5
130.29465	1.1
146.06023	2.6
155.11816	11.5
163.03896	20.8
165.05544	1.2
166.78403	1.2
175.03976	1.4
182.75871	1.1
186.10689	1.5
188.07076	8.1
196.09198	1.1
205.09735	4.8
208.09624	1.4
218.08176	2.5
219.08939	16.6
220.09695	68.9
232.09735	2.0
233.03812	1.2
233.10594	2.5
234.11208	1.6
235.05559	1.3
247.05493	4.6
249.07010	5.6
249.12485	5.2
263.13782	1.2
275.04764	1.7
275.07373	4.9
276.05624	2.3
276.08472	1.2
287.04724	1.6
289.06436	1.4
290.16351	2.2
291.17163	6.2
297.07632	1.4
299.09344	5.4
318.42682	1.7
325.06912	1.5
343.12198	1.2
344.04120	1.2
344.10754	1.1
375.14740	1.4
382.12943	13.3
388.07632	1.2
410.12051	1.7
432.20416	1.3
470.22937	1.9
481.15189	1.5
522.18164	6.6
523.16431	2.3
576.22443	1.8
592.22369	2.5
594.23877	25.6
610.23322	7.5
638.23169	11.2
653.22522	1.5
653.31171	91.7
697.30194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36146	1.6
54.89817	1.2
58.06618	12.5
60.08175	2.2
65.87482	1.6
70.06582	9.8
71.46252	1.6
72.08172	17.8
84.08154	36.3
85.07684	2.8
101.07129	2.4
110.09707	1.8
112.11250	2.5
113.07135	16.4
115.03285	2.0
120.27206	1.5
125.01726	1.7
127.03291	3.2
146.82376	1.5
147.04410	1.6
151.12344	2.2
155.11790	10.7
163.03906	22.4
165.05540	2.2
188.07111	2.8
190.08716	1.9
193.05005	6.6
218.08078	2.4
219.08931	16.1
220.09669	75.4
234.11310	1.9
236.11479	1.6
247.05455	3.2
249.07071	1.8
249.12389	2.6
261.56836	1.7
275.04709	2.2
275.07303	2.7
277.06262	2.2
289.06323	2.2
291.17059	10.0
299.09293	6.3
346.12125	2.1
348.91168	1.8
382.08521	2.0
382.13000	10.8
435.03891	1.7
522.18127	6.2
523.16626	2.8
592.22382	3.3
594.23737	23.4
610.23340	6.8
638.22797	8.0
653.31189	100.0
697.30072	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01870	3.5
57.03428	3.1
58.06628	2.3
61.02916	3.5
69.03435	25.2
69.13712	0.7
70.06596	2.0
71.04977	2.0
72.08140	4.4
73.02896	5.8
81.03429	17.9
83.04964	1.6
84.08138	2.2
85.02911	61.8
87.00824	14.7
91.03960	1.1
97.02891	21.6
99.04458	12.1
103.03919	1.3
104.40010	0.8
105.01868	14.6
108.53026	1.0
109.02164	1.2
109.02888	29.0
111.04430	1.3
123.04416	0.9
127.03918	39.1
129.01848	6.2
131.07317	13.6
132.08067	1.4
144.08063	7.8
145.04964	8.7
145.08861	7.8
147.02895	3.6
157.08867	8.6
159.02875	11.5
161.61719	1.0
163.03909	17.2
170.09674	1.3
173.08333	3.5
177.05406	1.5
182.09689	1.2
183.10423	4.6
184.11200	3.5
188.13074	1.2
189.03909	1.3
197.08330	6.3
210.12775	9.1
211.10051	1.0
212.10722	24.5
212.14284	1.6
213.03938	1.3
220.09694	17.6
224.10646	1.1
226.12378	1.5
230.11760	45.2
231.04993	6.8
234.15729	1.0
238.12318	3.6
244.13254	7.5
249.06029	1.9
251.16380	2.0
252.16856	1.9
256.13315	95.2
265.18839	0.9
272.12805	5.7
287.17554	24.3
297.27930	0.9
320.12842	1.1
349.63553	1.0
406.24252	0.9
419.74136	1.1
429.09753	1.0
451.57050	0.9
460.15411	1.3
478.16791	1.1
498.22260	0.9
597.43933	0.8
653.28827	1.6
697.28174	100.0
709.76630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	0.4
62.12145	0.4
69.03421	3.7
71.04976	0.7
81.03429	3.4
85.02912	7.4
87.00797	0.6
96.82825	0.4
97.02906	5.2
99.04417	1.9
103.03850	0.5
109.02909	5.0
115.03902	1.1
125.54166	0.4
127.03932	5.3
134.71425	0.5
144.08095	79.0
145.04942	0.7
145.08871	5.2
147.02773	0.5
148.07578	0.6
158.09711	4.8
170.09648	76.6
171.10437	18.1
173.10721	2.0
187.12325	4.6
188.13094	74.9
189.13762	0.6
217.13339	0.5
224.10739	2.1
230.11751	2.0
236.50400	0.5
243.18486	2.6
256.13248	2.2
268.13062	0.5
269.16467	6.0
270.14871	2.7
274.28873	0.5
287.17542	100.0
426.42090	0.5
653.29193	6.6
697.28156	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	697.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15965	0.3
53.03923	1.6
55.01850	1.7
57.03418	1.7
58.06580	0.9
61.02901	1.6
68.99771	0.4
69.03436	11.3
71.04955	1.8
73.02888	2.4
74.17955	0.3
81.03427	9.8
85.02911	37.6
87.00829	8.4
91.94611	0.4
97.02321	0.5
97.02897	12.5
99.03890	0.3
99.04453	7.2
101.02351	0.4
103.03936	0.8
105.01881	8.4
106.50105	0.3
109.02878	17.4
111.04424	0.7
127.03920	25.5
129.01837	4.5
129.05467	0.5
131.07292	5.2
132.08089	0.7
144.08115	3.3
145.04985	4.7
145.08871	6.3
147.02895	2.0
157.08868	11.2
157.16385	0.5
158.09631	1.7
159.02902	7.5
169.04987	0.5
170.09625	0.5
173.08322	2.3
181.08949	0.4
182.09671	1.5
183.10466	3.6
184.11217	3.7
187.05992	0.4
189.03937	0.4
191.28844	0.4
195.10423	2.4
196.11139	0.7
197.08287	3.9
197.11951	0.3
198.12868	0.5
210.12773	15.7
211.09894	0.7
211.13591	1.7
212.08701	0.7
212.10710	20.9
212.14285	2.8
213.03818	0.4
224.10774	0.6
226.12250	5.3
230.11761	37.3
231.05025	3.9
236.10837	0.4
238.12303	3.4
244.13313	10.0
249.06023	0.6
254.11859	0.6
256.13312	100.0
272.12778	4.5
287.17535	21.9
298.14304	0.5
338.13791	0.8
431.81390	0.4
434.18048	0.7
442.15292	0.9
460.16125	0.8
478.16977	2.6
504.18442	0.4
549.53357	0.5
586.87573	0.4
640.22546	1.9
666.24829	0.4
697.28131	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	697.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33046	0.3
51.30907	0.3
54.40889	0.3
55.01865	0.5
55.67834	0.3
57.03420	0.6
58.69432	0.3
59.96003	0.3
61.02917	0.5
61.13103	0.3
65.67867	0.3
67.98891	0.3
69.03432	4.7
69.59343	0.3
71.04977	0.3
73.02898	1.6
77.89667	0.3
81.03439	3.8
83.05007	0.3
85.02918	8.5
87.00807	0.4
87.04459	0.4
92.17786	0.4
97.02890	4.5
99.04443	1.9
101.14297	0.3
103.03928	0.5
105.01844	0.4
109.02873	3.5
111.04427	0.4
115.03905	1.7
120.08081	0.6
127.03909	5.8
129.01828	0.4
144.08092	80.9
145.04987	1.3
145.08879	5.9
146.09616	0.6
148.07585	1.5
151.24837	0.4
158.09666	4.8
159.02948	0.4
170.09647	76.7
171.10432	18.2
172.11279	0.3
173.10760	2.0
187.05994	1.5
187.12311	4.7
188.13091	75.5
189.13889	2.1
212.10799	0.4
216.10175	0.4
216.34152	0.3
217.13368	0.7
224.10706	4.0
226.15762	0.5
230.11761	0.7
242.11800	2.1
243.18564	2.8
244.13327	0.5
248.99236	0.4
252.13866	0.8
256.13309	1.7
258.14981	0.4
269.16464	5.7
270.14932	2.5
287.17548	100.0
373.27438	0.3
521.21063	0.5
653.29291	6.2
697.28156	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88751	3.9
56.78027	4.1
62.96945	4.1
73.20847	6.4
74.83511	4.6
92.17757	6.4
108.76965	5.0
110.07148	5.7
145.12105	5.1
153.05545	6.3
165.05341	15.6
181.04999	43.9
197.08194	11.3
207.06516	19.9
219.08185	5.7
248.64622	5.8
260.08432	6.4
263.10587	5.5
265.08652	8.1
266.09439	6.4
267.08609	22.5
276.07816	20.1
277.09018	6.3
291.10031	36.0
293.07974	10.4
294.08765	6.9
307.09760	6.6
309.11243	24.5
319.09647	28.4
323.12842	8.0
337.10587	54.5
341.13922	10.0
351.12216	86.7
369.13290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.7
61.02923	4.7
61.64087	2.4
64.94689	2.3
69.03431	6.4
72.08155	4.8
75.22137	3.2
76.35037	2.5
76.90764	3.0
81.03402	3.8
85.02914	36.7
85.42487	3.1
96.30008	3.0
97.02904	13.4
121.02857	11.6
127.03911	6.8
147.93694	2.9
155.52963	2.8
163.56738	3.1
170.09651	4.4
227.89760	3.1
233.15302	4.4
234.15814	3.5
242.04214	2.5
294.05240	15.8
295.06033	39.5
307.06036	30.5
309.07639	6.2
319.06018	3.9
321.07571	16.8
325.07031	47.3
329.08060	3.8
333.07608	12.6
335.09222	12.4
337.07065	71.1
339.08478	3.9
345.07504	7.0
349.07071	47.8
351.08554	17.0
361.07034	21.6
363.08643	28.8
367.08084	6.7
373.06985	18.8
375.08685	12.7
379.08069	72.7
387.08932	4.0
391.08130	76.8
397.09348	11.5
399.08813	3.4
403.07944	9.9
405.09628	5.4
409.09152	44.2
415.08365	14.8
417.09485	4.8
421.09595	4.5
427.10208	41.6
433.09171	17.3
445.11163	45.6
451.10068	12.0
463.10315	4.3
469.11206	14.4
481.11353	41.6
482.70264	3.2
499.12329	100.0
517.13464	83.9
535.14502	10.3
570.97552	3.0
589.15472	11.6
643.16943	4.9
661.17725	14.2
679.18488	26.9
697.19623	25.6
697.30212	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	697.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
58.11423	1.2
59.27065	1.1
60.95044	1.2
67.67187	1.1
69.03429	2.1
70.06576	1.6
81.03433	1.8
81.72173	1.2
85.02909	5.7
92.17842	1.8
97.02917	1.8
109.60130	1.6
121.02877	11.9
141.77005	1.4
187.57770	1.2
189.11034	1.4
222.11284	1.7
283.06058	1.6
294.05243	2.3
295.06009	37.3
307.05972	33.1
307.09375	2.1
308.06778	2.8
309.07626	7.9
313.07144	2.6
317.08099	2.4
319.05847	2.3
320.06772	5.5
321.07562	18.2
325.07080	48.4
329.08084	3.0
333.07465	12.2
335.09073	11.6
336.06085	2.2
337.07089	69.1
339.08594	2.3
345.07626	10.7
347.09180	1.5
349.07050	56.6
351.08661	19.9
355.08295	11.0
361.07040	30.8
361.11118	2.0
363.08572	30.2
367.08051	11.7
371.08917	1.5
373.07083	24.6
375.08661	9.3
379.08136	93.6
387.08545	7.5
389.10226	3.1
391.08105	100.0
393.09586	3.0
397.09036	4.9
399.08630	2.4
403.08066	18.9
405.09604	9.6
409.09213	45.4
415.08115	17.4
417.09689	9.9
421.09149	7.8
427.10385	15.9
433.09259	31.7
435.09946	1.4
445.09198	24.6
451.10403	8.0
463.10385	10.0
469.11349	2.1
481.11334	15.1
499.12234	8.4
517.13672	3.1
541.13745	1.9
559.14221	8.8
571.14447	11.6
577.16144	1.6
588.43866	1.7
589.15570	33.7
607.16754	10.7
613.15637	4.5
631.16675	16.3
635.52881	1.7
643.16638	34.8
661.06769	2.7
661.17621	75.2
679.18658	84.4
697.19623	42.1
697.30188	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	696.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	11.3
56.97323	1.4
57.03436	3.1
57.07086	12.6
59.14541	1.4
61.02938	17.4
62.57100	1.2
67.05180	2.6
67.05510	51.5
69.03413	2.3
69.06766	1.8
69.07079	18.7
71.08614	3.0
73.02908	9.2
79.05498	9.9
81.06606	3.2
81.07068	80.6
83.08626	23.4
85.02913	31.0
85.06547	2.5
85.10183	2.7
85.26566	1.8
91.03968	29.3
91.05477	9.6
92.17876	2.5
93.07054	21.0
95.04961	1.5
95.08607	78.5
97.02901	15.5
97.06550	3.7
97.10160	16.3
99.04456	2.3
99.08097	2.4
105.07022	8.6
107.08595	16.7
109.10160	41.8
111.08110	2.2
111.11713	2.5
119.08585	13.3
121.10134	27.1
123.11715	23.8
127.03927	7.0
133.10129	20.2
135.11687	16.4
137.13246	12.0
144.97614	1.9
145.04965	11.0
147.11687	21.1
149.13295	17.8
151.14777	3.4
152.33801	1.7
161.13254	17.3
163.06015	15.5
163.14825	15.2
165.16394	7.2
175.14848	11.1
177.16315	1.9
179.17941	3.2
181.16046	1.9
189.16415	5.9
203.17879	2.1
245.22629	48.9
263.23688	100.0
281.24722	3.8
288.71759	1.7
337.23352	2.9
337.27386	75.1
355.28406	88.4
463.31357	1.9
499.32751	17.8
639.06671	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	696.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05255	1.4
55.05518	7.7
57.03440	3.2
57.07074	7.7
61.02939	18.3
67.05516	33.2
69.00584	1.7
69.07070	13.3
71.08648	3.0
73.02917	6.3
75.00685	1.4
77.60814	1.4
78.45890	1.6
79.05489	7.7
81.06601	3.1
81.07066	64.7
83.08633	14.2
85.02907	23.1
85.10203	2.1
91.03959	21.9
91.05495	7.7
93.07049	17.5
95.05822	1.7
95.08610	56.9
97.02893	12.6
97.06520	3.7
97.10182	11.3
105.07018	6.7
107.08626	13.0
107.30590	1.7
109.10156	36.5
111.08126	3.3
111.11735	1.8
111.75590	1.6
112.85691	1.5
119.08566	3.9
121.10158	21.9
123.11698	21.8
123.12534	2.1
127.03910	13.5
133.10120	11.1
135.11658	15.1
137.13268	9.1
145.04973	11.3
147.11717	15.5
149.13252	9.2
151.14824	8.5
161.13257	13.5
163.06046	18.1
163.14856	10.3
165.16344	2.8
169.71626	1.8
175.14857	11.3
177.16373	1.5
179.17986	6.5
245.22652	44.6
263.23694	100.0
265.25439	1.7
281.24628	2.1
337.27347	42.8
355.28421	61.3
499.32318	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	696.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01554	1.1
52.79256	1.1
55.01869	2.1
57.03440	4.9
57.07070	1.2
61.02928	2.5
67.05502	6.1
68.99783	2.1
69.03434	15.0
69.07080	6.8
70.06603	1.7
71.04986	2.2
71.52187	1.3
73.02912	2.9
80.85300	1.2
81.03427	10.9
81.07064	14.5
83.04990	2.1
83.08622	5.5
85.02914	100.0
85.06524	2.6
86.54144	1.2
87.00833	19.1
91.05483	1.7
93.07045	10.2
95.01335	1.5
95.08601	15.9
97.02888	17.9
97.06516	2.4
99.04463	24.3
103.03954	4.6
105.01875	22.4
105.07047	2.4
107.08590	9.8
109.02892	17.7
109.10159	14.5
111.04445	1.4
113.09666	2.0
117.05590	1.4
119.08578	9.9
121.06506	1.6
121.10160	20.5
123.04376	1.7
123.08097	1.8
123.11702	22.8
125.02327	1.4
125.09627	1.5
126.43949	1.4
127.03921	44.7
127.07529	1.4
127.11202	1.6
129.01846	6.3
131.05151	1.3
133.10172	5.4
135.11688	7.8
137.02435	1.2
137.09586	1.2
137.13232	1.7
139.03952	1.5
141.01831	20.9
145.04980	8.7
145.10141	7.9
145.64514	1.3
149.13234	2.2
151.03931	1.7
159.02902	10.1
159.11723	5.7
161.13260	10.7
163.11177	5.2
167.10686	2.0
170.09602	1.6
171.02893	1.6
175.14822	5.3
177.12724	1.6
177.16371	22.9
179.03465	1.6
181.12196	2.8
189.04019	5.7
193.04918	1.9
201.16402	9.0
213.03830	1.8
219.17448	13.4
231.02968	1.3
231.04930	10.6
237.18509	44.0
243.04974	2.1
249.06041	6.8
255.19543	68.7
261.06104	2.6
273.05945	2.1
287.96188	1.5
303.07108	5.8
389.07190	3.0
407.08322	7.4
425.09100	1.9
449.21732	1.9
467.22931	3.2
485.23526	5.4
696.29688	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	696.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60001	0.2
55.48916	0.2
57.84588	0.2
59.01461	0.2
67.59339	0.2
70.06544	0.4
79.43391	0.2
124.07527	0.3
134.73711	0.2
140.07008	1.5
148.07567	1.6
163.03838	0.3
168.06560	3.2
176.16595	0.2
194.86163	0.3
225.10277	0.3
225.75804	0.3
227.11531	0.3
255.11296	5.0
269.12845	1.4
287.13818	0.3
297.12335	5.8
315.13382	100.0
316.14108	1.1
441.82166	0.2
519.55957	0.2
696.30780	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	696.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19324	0.2
55.99369	0.2
58.02872	0.2
59.60760	0.2
69.07041	0.2
70.06568	0.4
72.08132	0.3
88.16886	0.2
90.75679	0.2
91.11673	0.2
94.97240	0.2
96.08089	0.3
97.06524	0.2
113.10705	0.2
114.09164	2.4
121.90755	0.2
124.07529	0.9
132.69403	0.2
140.07037	0.9
148.07611	2.0
156.04741	0.3
163.03844	0.4
168.06531	2.8
209.16478	1.4
220.09706	0.3
222.11197	0.2
225.10349	0.3
226.19066	0.3
227.11813	0.3
228.15923	0.9
233.82629	0.2
243.11235	0.4
251.16585	0.3
255.11298	5.2
256.06830	0.2
269.12915	1.5
275.13708	0.2
287.13876	1.1
297.12378	5.7
299.13934	0.2
315.13388	100.0
316.14255	2.0
322.24982	1.2
328.04590	0.2
339.27933	0.4
341.24332	0.3
383.89816	0.2
538.24890	0.2
679.51331	4.0
696.30652	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	695.329
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
50.82626	0.6
55.05520	0.9
55.16499	0.6
60.05649	1.5
70.06587	1.0
72.08160	8.7
75.15591	0.7
79.05503	0.6
81.86239	0.7
85.02919	1.0
91.05480	0.8
92.17857	0.7
95.08593	0.8
97.06561	0.8
97.07655	1.4
98.06064	8.5
105.07072	0.6
107.04982	0.9
110.03698	0.7
111.04441	2.5
114.10276	6.3
115.08710	1.3
121.02843	1.2
125.05997	2.7
131.12950	3.5
133.02888	1.6
137.05992	12.9
140.08185	0.7
151.07532	1.6
152.07065	7.1
153.05475	12.6
157.06512	0.8
157.10883	3.2
161.06003	1.0
163.03946	3.5
163.07523	0.8
165.05403	1.1
165.09090	0.9
167.06993	1.1
175.07562	3.3
177.05479	1.3
177.09145	1.1
182.58351	0.7
189.09084	1.6
191.03374	8.6
193.48621	0.7
195.10139	1.2
206.11830	3.4
248.13925	16.1
253.08713	3.1
253.12325	1.0
271.06018	2.5
281.11743	1.4
283.09625	1.4
285.11191	3.0
297.11203	1.0
299.09488	1.2
299.12796	3.6
300.13492	0.9
311.12848	1.0
313.10706	2.9
313.14203	0.8
325.14328	1.1
327.12299	10.7
327.15927	1.0
331.15488	0.8
341.10229	4.8
341.13757	0.9
344.16199	4.7
345.16980	0.7
356.16318	2.9
359.14926	7.0
371.14908	3.7
401.16049	0.7
492.17947	4.4
504.17749	3.3
507.19843	1.0
522.18512	6.6
677.27563	1.2
695.32855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77420	5.1
55.05511	11.8
57.03441	25.1
61.02926	23.0
67.05527	47.9
68.83014	4.9
69.03436	10.7
69.07066	29.4
75.04497	9.2
79.05482	35.5
81.03419	13.7
81.07082	60.3
83.08607	6.8
85.02911	60.7
86.08785	6.4
91.03937	50.3
91.05480	24.8
93.05514	32.0
93.07059	46.2
95.04994	12.8
95.08608	60.1
97.02887	36.8
97.10172	5.4
105.07040	38.1
107.04934	6.6
107.08624	45.6
109.06538	10.1
109.10151	10.7
111.04424	10.7
117.07014	11.6
119.08596	33.3
121.10141	32.8
123.11737	10.1
127.03900	32.7
131.08580	39.9
133.10130	39.5
135.11682	28.6
137.09590	10.7
145.04964	23.5
145.10127	11.4
147.11703	32.5
149.13266	8.9
157.10127	25.6
158.15608	6.5
159.11702	27.4
161.13240	14.1
163.06007	28.7
169.10184	7.0
171.11719	9.8
173.13292	26.2
183.11720	7.7
185.13359	7.0
189.12801	6.9
246.46970	5.8
255.10817	24.1
320.27484	5.6
369.24280	39.1
369.49268	6.8
376.30621	6.9
387.25281	61.2
405.26343	100.0
423.27307	69.0
457.17569	7.7
497.31192	24.0
567.31207	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16011	1.3
54.90430	1.3
55.05500	2.3
57.07069	2.3
61.02934	13.1
67.05511	28.3
69.07074	2.5
73.02898	3.2
79.05506	13.8
81.07065	45.8
83.08596	3.0
85.02911	22.6
91.03975	21.5
91.05455	11.6
93.07055	30.8
95.08614	35.6
97.02896	8.9
97.10151	2.6
104.42739	1.6
105.07034	8.9
107.08601	28.0
109.10177	28.1
117.07033	2.2
119.08574	8.9
121.10146	27.7
123.11729	9.8
127.03902	7.5
131.08588	12.5
133.10133	10.3
135.11694	22.7
145.04951	8.7
145.10107	10.1
147.11697	9.8
149.13240	16.3
159.11658	12.1
161.13217	9.4
163.06055	13.3
163.14793	13.1
173.13315	10.7
175.14810	3.1
177.16446	6.3
184.11713	1.6
187.14857	7.5
201.16458	1.8
243.21063	21.8
261.22144	65.5
263.24072	1.8
335.25870	14.5
353.26846	100.0
497.31229	2.2
529.73749	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	694.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74842	1.3
51.07156	1.4
55.05514	3.3
57.03437	3.4
61.02932	19.0
67.05518	37.1
69.03438	2.4
69.07069	7.8
69.75184	1.2
73.02923	3.5
79.05496	19.3
81.07065	55.4
83.08622	5.8
85.02905	23.3
91.03955	19.8
91.05481	6.1
93.07053	35.1
95.08613	42.8
97.02905	7.9
97.06528	2.5
97.10152	2.0
105.07013	11.0
107.08599	24.6
109.10167	26.9
117.07026	5.3
119.08604	9.7
121.10145	31.4
123.11696	10.5
125.09618	1.4
127.03916	2.9
130.62253	1.5
131.08560	14.2
133.10124	10.1
135.11707	26.4
137.13272	7.3
145.04951	8.0
145.10152	10.5
147.11671	10.4
149.13257	17.2
151.11206	1.7
151.14864	1.6
159.11696	14.0
161.13240	11.3
163.05997	9.9
163.14844	10.4
173.13254	9.9
175.14886	1.6
177.16443	2.9
187.14929	6.7
243.21075	20.8
246.81921	1.9
261.22116	60.2
261.24826	2.6
292.30185	1.7
321.65894	1.5
322.27011	1.7
335.25824	27.4
353.26874	100.0
497.31110	9.8
536.94373	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	694.397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97925	0.5
56.85822	0.4
58.06609	0.6
66.88649	0.6
68.56772	0.5
77.40549	0.5
90.27212	0.5
101.50969	0.5
109.11983	0.5
123.72643	0.5
144.08098	30.0
158.09700	3.6
170.09651	100.0
171.10442	22.1
188.43576	0.5
201.13921	7.7
202.14662	10.7
203.85193	0.6
241.25169	0.5
319.69583	0.6
515.43115	0.6
694.39667	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72375	1.9
55.05505	4.0
57.03444	2.9
57.97512	1.8
61.02924	3.5
66.14874	1.8
66.86922	1.9
67.05493	3.3
69.03441	18.9
71.05003	2.2
72.08147	2.1
73.02927	2.9
79.05506	9.0
79.94108	1.9
81.03413	11.1
81.07059	47.5
83.65810	2.2
85.02422	4.4
85.02914	100.0
87.00838	18.4
91.05524	2.3
93.07044	13.1
95.08611	19.2
97.02908	18.0
97.10172	2.2
99.04473	9.1
103.03955	2.8
105.01879	29.4
105.07052	17.0
107.08604	11.2
109.02895	24.6
109.10177	4.1
114.09176	2.8
119.08594	29.7
121.10115	3.9
123.11710	11.4
125.09636	2.7
126.66983	2.1
127.03917	47.7
129.01881	3.8
133.10129	23.6
135.11697	9.5
141.01840	19.8
145.04970	13.9
147.11668	14.7
159.02890	11.6
159.11668	7.5
161.09573	2.4
161.13266	29.4
162.13629	2.7
169.05061	2.5
173.13194	2.5
179.10634	2.5
189.03972	5.0
189.16370	36.3
213.03995	2.5
217.15834	8.0
231.05013	23.7
235.16928	24.3
249.06123	13.8
255.21072	3.0
261.06100	7.4
273.06067	2.4
303.07083	8.6
354.59982	2.4
389.07281	13.3
407.08200	17.5
425.09332	15.4
427.31796	2.4
428.32648	4.7
447.20532	2.1
522.27594	4.1
621.66443	2.5
694.28369	3.4
694.39758	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29638	0.5
70.06595	1.1
72.08142	0.7
77.15192	0.7
84.05643	2.8
84.08156	4.4
85.02869	1.1
88.02200	1.7
92.62701	0.8
97.01373	0.7
112.79199	0.8
114.09178	4.6
116.05321	5.5
130.06567	3.5
143.11845	5.5
147.08044	0.7
179.04776	1.1
198.38789	0.8
207.85309	0.9
226.15515	6.9
227.15997	0.7
264.05112	57.2
280.04526	1.1
296.04126	22.9
308.09149	1.3
309.04861	11.0
310.05664	20.1
324.03656	8.4
338.44977	0.8
363.10352	0.8
458.09464	11.0
471.10446	1.0
485.05905	9.2
486.09064	1.2
500.08340	30.8
532.10962	6.2
552.46924	0.8
662.13800	2.9
694.16266	100.0
694.35175	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	693.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09196	1.3
53.03943	2.1
54.44204	1.3
55.01886	1.8
55.05510	1.7
61.02925	2.5
62.80878	1.3
67.05501	5.6
69.03448	14.2
69.07074	2.4
70.06587	6.4
72.08147	2.1
72.93324	1.3
73.02928	1.5
79.05505	3.1
81.03439	11.3
81.07061	14.5
83.08636	2.4
85.02908	47.3
87.00835	15.2
91.05502	7.3
91.56641	1.5
93.07044	6.8
95.08607	17.5
97.02911	11.3
99.04446	9.2
105.01882	21.1
105.07057	15.5
107.08595	19.9
109.02893	29.5
109.10162	14.4
114.09158	1.7
117.07028	2.5
119.08594	10.6
121.10150	10.9
123.08179	1.4
123.11747	1.6
125.09607	2.6
127.03926	47.1
127.04874	1.5
129.01831	2.8
131.08565	7.0
133.10152	18.3
135.11703	8.8
143.08607	2.5
145.04993	13.9
145.10129	26.9
147.02936	2.0
147.11696	30.8
149.13312	6.3
151.11215	2.4
157.10121	2.1
159.02888	14.9
159.11700	24.4
161.13274	59.4
163.03928	5.6
171.11652	2.3
173.13284	18.0
175.11133	1.8
175.14828	3.5
176.39043	1.5
179.10774	2.2
184.75732	1.5
185.13248	7.2
187.14815	3.3
197.13330	1.6
199.14870	8.3
201.16441	2.2
208.56007	1.4
211.14807	1.9
213.16417	5.8
215.17972	22.2
227.18007	2.8
231.05038	13.2
249.06003	2.3
253.19475	9.0
255.21080	100.0
273.08710	11.8
273.22128	19.7
295.24240	2.2
317.11298	27.1
339.23013	2.6
341.24832	3.0
381.31665	5.9
391.30133	2.5
409.31039	29.7
427.32092	53.2
431.78000	1.5
445.33234	30.1
452.18127	7.0
508.20944	2.8
521.27490	74.4
523.04822	1.5
556.23370	2.1
578.37952	1.6
629.36487	3.2
647.37109	2.8
675.38580	10.2
693.29529	32.8
693.39648	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	693.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
54.45876	1.2
55.01889	2.5
55.05523	1.5
56.51377	1.3
57.07072	1.7
61.02931	2.6
66.69844	1.4
67.05500	7.1
69.03432	15.3
69.07053	2.5
71.05022	1.4
72.08149	2.0
73.02898	2.6
79.05479	2.6
81.03429	18.3
81.07060	10.6
83.08601	2.5
84.04472	1.6
85.02907	45.5
87.00835	11.8
91.05447	2.8
93.07053	7.6
95.08603	12.1
97.02908	17.5
99.04470	11.9
105.01881	20.0
105.07030	12.7
107.08589	17.1
109.02898	26.9
109.10180	12.3
117.07054	1.9
118.64291	1.6
119.08614	11.1
121.10176	12.2
123.11693	6.2
125.09600	1.7
127.03906	40.9
127.50801	1.5
128.82133	1.8
131.08563	3.3
133.10144	14.4
135.11717	11.5
137.25783	1.6
145.04974	11.9
145.10130	20.5
147.11697	32.8
149.13219	2.5
151.11217	1.8
157.10056	2.3
159.02887	17.2
159.11694	28.7
161.13251	54.7
163.03955	2.5
171.11642	2.4
173.13266	19.7
175.11177	2.2
175.14816	3.1
179.10684	2.6
180.01094	1.4
185.13271	8.1
187.14787	3.8
197.13248	1.7
199.14841	7.1
213.03993	2.5
213.16434	2.4
215.17876	20.0
227.17943	2.4
231.05022	10.0
249.06084	2.3
253.19507	9.3
255.21057	100.0
265.47235	1.9
273.22089	23.2
341.24701	3.4
381.31750	3.7
391.29849	3.6
409.30945	25.6
427.32117	43.0
445.33115	29.6
460.69479	1.7
521.27417	48.9
629.36591	2.3
638.32770	1.8
647.37616	2.2
675.37720	12.0
693.39471	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	693.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.59887	0.8
67.05512	1.0
69.03427	5.4
69.07052	0.9
70.06583	3.9
72.08143	3.6
79.05451	1.2
81.03420	5.0
81.07065	3.8
84.08123	1.4
85.02914	13.0
87.00809	2.2
87.07967	1.3
91.05511	1.0
92.18460	2.5
93.07066	1.5
95.08597	3.7
95.45943	0.9
97.02891	4.0
99.04442	1.9
100.08746	1.7
105.01865	5.9
105.07043	5.8
107.08591	5.8
109.02879	8.1
109.10149	5.2
114.10251	1.4
119.08625	2.9
121.10130	3.9
123.11676	1.7
127.03920	12.4
131.08586	2.1
133.10117	5.1
135.11708	1.6
136.07545	1.0
138.09135	1.7
143.08501	1.0
145.04991	4.9
145.10135	4.8
147.11716	8.8
148.38380	1.1
149.13271	1.9
159.02898	5.8
159.11707	8.0
161.13266	17.5
163.03909	7.4
163.14778	1.0
163.43562	0.9
164.07056	1.2
164.10695	1.4
173.13261	5.0
175.11185	1.5
175.14850	1.2
176.10721	1.2
185.13220	1.8
187.14868	1.5
192.10196	3.4
204.10283	3.8
210.11287	5.3
213.16309	1.4
215.17941	7.6
220.09688	2.0
222.11264	4.1
231.04961	4.3
245.12921	1.2
253.19418	1.5
255.21077	30.9
260.07889	7.2
261.08826	6.6
273.08701	43.0
273.22128	6.7
285.12329	5.2
287.10330	1.4
288.11252	3.9
289.11777	1.3
290.12570	3.6
291.13385	0.9
294.16721	5.7
295.24380	1.2
299.10043	3.3
315.09723	1.4
316.10583	3.8
317.11334	100.0
327.13531	4.5
341.24814	1.3
343.12997	2.2
371.12524	1.2
397.06293	1.0
406.17633	5.8
408.19327	4.1
409.31079	7.2
423.66199	1.2
427.32205	11.4
445.33044	8.8
452.18167	17.1
454.19672	2.0
462.20294	5.6
464.21863	3.9
471.23810	1.5
480.21323	3.9
492.21213	7.1
508.20679	16.8
510.22498	4.0
521.27545	18.0
538.21942	4.8
556.22968	9.6
619.27679	5.9
647.37347	1.2
663.29974	4.7
675.38629	2.0
693.31158	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51997	1.1
54.14498	1.0
70.06601	4.0
72.08163	15.9
74.67029	1.0
84.08138	1.6
85.02888	1.9
97.07641	8.5
98.06066	18.7
100.08743	2.2
114.10299	34.6
115.08675	10.3
123.04387	1.2
133.06480	2.0
137.06003	6.9
145.06502	1.7
157.10866	8.5
161.05971	25.8
163.03905	44.6
167.07042	5.6
173.05994	8.1
177.05484	1.6
181.08641	4.3
191.07042	7.8
192.07816	4.8
193.08632	14.2
201.05527	1.6
205.08633	5.1
206.11719	1.4
217.08627	1.7
218.09409	1.4
223.04280	1.9
224.05011	2.3
231.13611	1.3
233.12831	7.1
234.11256	7.6
251.07314	1.6
265.16580	6.9
293.16208	8.4
313.10773	1.7
323.09082	2.8
355.11798	1.7
502.10837	1.1
545.24469	7.0
561.23676	2.1
649.25763	2.6
693.24316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99504	0.3
51.63558	0.4
53.94400	0.5
70.06606	0.5
72.08159	0.8
74.49484	0.4
79.01615	1.8
82.00343	1.0
94.35049	0.4
95.01095	2.1
95.85137	0.5
112.13533	0.5
113.02135	0.9
114.09235	0.5
118.88721	0.5
127.00066	1.0
133.06557	0.7
141.05270	2.9
153.01610	2.3
161.06024	2.8
162.33669	0.6
167.07045	1.0
171.72815	0.5
181.04729	0.8
182.01942	0.5
184.05017	0.7
185.04237	2.1
185.05807	0.6
189.05241	2.6
199.05777	1.1
204.07629	1.0
209.04166	0.6
215.06801	2.5
217.08299	4.8
219.06261	5.1
227.05374	4.5
233.07901	0.5
234.08626	41.3
235.09511	2.2
243.04720	2.3
253.03238	2.1
263.05148	0.6
271.04242	7.2
289.05115	0.6
302.15390	0.5
327.04889	0.6
360.65710	0.6
395.13235	1.6
409.14963	0.6
415.08405	1.1
437.14008	1.0
445.09476	0.7
445.18726	1.0
589.22607	0.6
607.23413	2.8
649.24426	7.0
693.23621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56297	0.6
89.02052	0.7
144.08098	25.8
158.09674	1.3
170.09642	100.0
171.10419	39.0
171.11893	1.5
199.12321	4.3
201.13890	7.0
202.14651	45.5
265.61865	1.0
269.19971	0.9
368.24539	8.4
412.52731	0.8
555.36957	80.7
565.33624	0.8
691.26874	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	691.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57640	7.3
63.32697	7.3
73.15071	8.3
83.13426	8.1
103.72938	7.6
137.01707	8.2
145.98248	7.7
172.48140	8.4
203.10738	16.6
259.16931	100.0
260.17346	57.3
301.33966	8.5
399.66489	11.7
691.40387	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03828	0.9
55.03003	1.0
68.82806	1.0
70.06583	5.1
70.29409	0.9
72.08162	21.6
77.01646	1.0
84.08159	1.2
97.07655	5.4
98.06062	1.7
111.09202	1.1
114.10291	13.7
115.08670	1.4
129.10245	2.2
133.02872	1.6
140.08185	11.3
147.04485	1.3
161.06032	1.4
163.03917	2.5
177.05446	2.4
191.07056	13.4
192.07434	6.2
220.09619	1.1
222.11301	1.4
267.06500	9.0
271.00943	1.0
295.06097	7.4
310.07245	2.3
312.08713	1.5
313.07019	3.8
322.06815	1.5
325.06934	7.4
338.06644	6.5
339.05060	4.1
349.15552	1.4
350.06619	6.2
350.20483	1.4
352.08154	3.8
357.06018	13.6
364.12006	1.4
366.13062	1.6
371.07666	2.4
371.41336	1.1
378.09821	2.3
382.09216	1.2
392.11389	14.6
406.13959	7.9
409.13864	4.7
410.12357	8.7
434.13501	13.4
466.16342	1.6
691.24530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98699	0.9
56.96575	11.4
70.06593	1.8
70.61562	0.9
72.08150	2.0
72.54813	1.1
84.96022	3.9
87.00813	1.0
98.97586	33.7
105.83495	0.8
110.97571	23.9
110.98284	1.3
112.80027	1.0
112.99155	2.1
116.10670	0.9
116.98630	10.2
117.83678	0.9
124.99107	9.8
128.98619	25.1
131.00198	1.0
136.91747	0.9
140.98611	4.4
143.00182	28.1
146.99625	7.3
152.98596	8.2
155.50349	0.9
158.99681	6.1
161.01241	12.7
170.99664	12.0
177.00772	5.8
185.10309	0.9
189.00742	5.4
198.66049	1.1
201.00711	13.3
203.00177	13.2
219.01764	100.0
221.01231	29.8
230.99721	7.0
237.02821	80.9
237.05252	2.3
239.02322	8.1
245.01202	11.2
247.02806	2.2
249.00710	23.5
255.03822	1.4
257.01212	22.6
263.02240	17.9
267.01843	1.7
271.02805	14.5
275.02261	38.9
275.05096	1.7
287.02255	8.7
289.03833	12.7
291.01688	1.2
293.03381	3.6
305.03372	1.4
347.04407	3.5
365.05405	58.1
383.06516	70.1
406.08173	1.8
425.07764	1.4
433.43311	1.0
485.09970	4.4
511.09189	6.5
527.10809	6.6
691.15430	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	690.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
56.83844	0.3
61.31395	0.3
63.76839	0.2
72.15948	0.3
85.02919	0.4
91.04016	0.3
91.05471	0.4
103.05489	3.5
105.07031	2.9
115.05458	0.4
118.04143	1.9
121.06533	0.3
122.02715	0.7
127.34959	0.3
130.04141	0.4
131.04933	11.9
133.02856	13.5
133.06485	4.5
137.05988	2.1
143.06007	0.4
145.06474	0.5
147.04404	1.8
148.05176	1.9
149.05986	3.3
159.04355	0.3
161.05972	11.7
163.07530	2.9
165.05476	4.0
167.07036	1.3
173.05971	3.0
176.04735	3.9
176.08307	1.3
177.05461	9.5
177.09079	3.0
179.06969	0.5
184.01945	0.3
185.02615	0.5
191.07033	100.0
193.08601	3.4
199.04253	1.1
208.04350	0.4
209.08072	6.8
241.05284	1.4
312.08981	11.8
330.09961	2.1
341.13657	2.5
462.15845	4.0
492.16766	0.3
494.89816	0.3
624.20776	0.6
642.21973	0.4
672.22815	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	690.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
57.18106	0.1
58.06590	0.3
67.09237	0.1
70.06598	1.5
70.69615	0.1
74.94709	0.1
78.23785	0.1
84.08135	0.7
85.08934	3.3
92.65178	0.1
100.11263	100.0
144.61629	0.1
144.94443	0.1
147.15842	0.1
404.25439	10.1
457.34991	0.1
475.26727	0.1
528.30756	3.7
559.26611	0.2
676.94629	0.1
690.35999	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31009	1.3
66.41505	1.6
68.67065	1.4
70.06577	2.6
78.02120	1.9
81.40051	1.6
85.02916	2.4
86.99053	1.9
88.03971	4.0
92.18528	1.6
100.38629	1.8
102.04720	1.6
105.00128	1.8
107.04957	3.4
119.04927	3.5
120.23251	1.9
121.06502	3.1
131.04903	2.4
133.02861	28.6
136.06239	2.9
137.05988	9.0
141.38908	1.9
146.02754	2.3
147.04402	4.3
149.05972	21.8
151.03909	10.3
151.07539	8.8
155.07108	2.5
157.15712	1.7
161.05978	7.5
163.03983	2.1
165.05481	14.2
165.09091	22.0
167.07033	48.5
177.05492	10.9
177.09134	9.0
179.07025	57.4
181.04889	2.4
181.08591	31.5
191.07013	17.5
193.08624	18.8
196.09691	9.2
206.08159	2.5
207.06592	11.0
208.09700	7.8
209.08061	19.5
211.09659	22.2
220.12015	3.2
223.04182	7.1
225.05792	57.6
226.10712	16.0
237.10001	7.1
241.05304	3.7
249.05843	9.2
297.11111	2.4
300.09119	8.6
312.08966	32.8
329.13965	9.5
330.10080	100.0
349.12900	4.3
354.32578	1.9
359.14841	40.4
371.14902	2.6
480.16946	18.3
518.32452	1.9
611.73792	2.0
690.23651	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	689.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94937	0.3
58.06585	0.5
59.60587	0.3
59.61314	0.3
62.97950	0.3
63.51321	0.3
69.03426	1.4
70.06563	0.7
71.07393	0.4
72.08146	0.7
81.03400	0.4
81.07057	0.4
85.02892	2.5
87.00813	0.6
90.24765	0.4
93.07034	0.4
95.04938	0.5
95.08559	0.5
97.02905	0.6
99.04431	0.7
105.07041	0.5
107.08553	0.5
109.02852	0.6
119.08576	1.8
123.04298	0.4
127.03895	1.4
131.08664	0.4
135.08060	0.5
137.05937	1.5
144.08090	26.7
145.08861	0.6
155.88748	0.4
158.09645	1.5
159.10501	0.5
159.11681	2.5
163.07526	2.0
165.09071	1.6
167.07025	10.5
168.07385	4.9
170.09645	100.0
171.10417	20.2
171.11885	0.6
173.13258	2.7
175.07564	1.6
177.05450	0.4
187.12512	0.4
193.08708	0.9
194.08951	0.8
201.13965	4.9
202.14648	10.3
205.12257	0.9
211.09668	2.2
219.13782	1.6
229.12155	0.4
265.14343	11.9
284.66339	0.4
292.80273	0.5
301.18954	0.5
304.35397	0.4
406.19418	0.5
439.37317	0.4
513.19617	0.8
689.32843	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95238	0.3
58.06581	0.8
65.03878	0.3
65.77173	0.3
102.95242	0.3
112.83556	0.4
128.24719	0.4
153.24959	0.4
160.07570	37.1
161.08330	0.5
167.06964	0.4
170.09599	1.5
174.09065	0.7
175.07547	0.5
186.09138	100.0
187.09929	26.1
187.11287	0.4
202.10957	0.5
217.13347	4.7
218.14146	17.2
234.96352	0.4
267.45975	0.4
317.18640	4.1
351.11475	0.4
410.75330	0.4
491.18094	0.4
689.34369	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	689.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88150	0.7
53.16771	0.6
55.01876	0.9
55.05526	1.1
69.03437	6.0
70.06591	1.4
71.04990	3.1
72.08121	0.8
73.02901	0.8
79.05487	1.1
81.03417	5.1
81.07024	2.5
85.02905	17.7
87.00822	3.3
91.05420	0.7
93.07040	4.3
95.04970	1.9
95.08598	5.3
97.02887	7.0
97.06551	0.9
99.04449	4.9
105.01846	3.8
105.07009	3.7
107.08581	6.7
107.35326	0.7
109.02884	6.2
109.06573	0.9
111.04488	1.1
112.67083	0.8
114.82530	0.9
116.85417	0.8
119.08585	13.3
121.06510	1.5
121.10165	1.4
121.57003	0.8
123.04526	0.8
123.08072	5.5
127.03914	9.8
131.08533	4.3
133.10103	7.4
135.08049	6.5
137.05995	1.1
137.09651	1.6
139.07480	0.8
141.01881	1.1
144.08095	18.5
145.04973	1.4
145.06453	1.0
145.10031	2.3
147.08023	5.6
147.11729	1.8
149.06024	1.5
149.09663	1.7
157.10161	1.0
158.09622	1.4
159.02870	3.3
159.08025	1.9
159.11703	16.4
160.07539	1.3
161.09589	1.3
161.13301	1.4
163.07523	11.4
165.09076	12.0
167.07050	3.8
170.09639	68.8
171.10426	14.7
171.11696	1.7
173.09663	1.4
173.13272	23.2
175.07555	5.7
175.14729	1.8
177.09145	1.5
181.08066	0.8
183.11671	1.2
187.11157	7.4
189.12666	1.1
199.11159	3.2
201.12767	7.1
201.14249	1.1
202.14658	8.2
205.12250	8.5
211.11160	2.9
217.12190	1.8
219.13747	10.2
219.15602	0.9
229.12256	3.9
231.05029	1.1
235.13338	1.8
247.13260	4.3
265.14334	100.0
269.97879	0.8
299.56107	0.8
448.07858	0.9
477.17667	1.1
513.19653	11.7
526.77875	0.9
689.32953	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75200	2.0
56.69650	2.2
57.06879	1.9
57.07084	35.7
57.31924	2.0
71.08630	27.8
73.06541	12.4
85.10182	20.8
85.28707	2.3
87.04446	13.4
87.28773	2.3
89.05506	4.1
89.06034	100.0
117.09148	4.1
133.08575	23.8
151.41530	2.8
177.11174	10.9
180.42119	2.6
185.82204	2.3
221.13811	4.9
257.24698	9.1
301.27457	4.8
671.49451	31.6
688.52179	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58262	0.2
55.43557	0.2
56.85804	0.2
59.33744	0.2
62.04021	0.2
75.52887	0.2
81.07054	0.5
85.02913	2.6
86.61343	0.2
87.04498	0.2
94.95668	0.2
95.08633	0.3
97.02873	0.5
97.06578	0.2
105.02135	0.3
107.08595	1.0
119.08568	0.3
121.10129	0.3
122.02403	0.3
123.03189	0.5
133.10152	0.4
140.03433	100.0
143.08611	0.4
145.10110	0.4
147.11624	0.2
151.03905	0.3
157.10146	0.5
159.11658	0.5
167.10657	0.2
171.11678	0.9
173.13293	0.5
179.70641	0.2
183.11748	1.1
185.13261	2.3
197.13286	1.4
198.33229	0.3
199.62355	0.3
209.13210	0.5
211.14777	0.5
225.16362	0.4
235.14758	0.4
237.16409	0.9
238.17126	0.3
245.15437	0.3
277.19547	2.0
278.20154	0.3
283.17010	0.8
295.20486	0.9
296.21030	0.3
309.18567	0.4
311.20084	0.9
323.23856	0.4
339.23251	1.3
351.23004	1.8
355.02557	0.2
369.24286	3.8
387.25299	0.3
409.68765	0.3
489.93921	0.3
508.26611	0.4
526.27991	29.9
688.33240	14.3
701.74500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11630	0.2
62.62186	0.2
67.07525	0.2
69.03440	0.4
70.88012	0.3
72.08161	3.6
82.05873	0.3
89.10798	2.1
115.08714	0.6
117.03348	0.5
127.03925	0.4
131.35265	0.3
135.04396	1.0
145.02832	2.2
163.03902	100.0
170.56476	0.3
234.11249	7.4
251.13930	2.0
353.79922	0.3
396.16940	0.3
413.19193	41.8
647.13953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
54.30788	0.4
55.01867	0.6
59.90102	0.4
61.02898	0.4
65.27974	0.4
69.03422	3.2
70.06599	0.5
71.04976	0.4
72.08165	0.5
73.02916	0.4
81.03437	3.1
85.02911	8.5
85.66487	0.4
87.00823	3.0
95.04951	0.5
97.02880	2.6
99.04465	1.1
102.03639	0.4
105.01852	2.6
105.07055	1.1
107.04954	1.9
109.02879	4.7
117.01865	0.4
127.03908	4.9
133.06477	1.0
135.08041	0.7
137.05971	2.5
145.04980	0.9
145.06439	0.6
159.02867	2.0
161.05931	2.6
163.03900	0.7
163.07541	2.4
167.07039	100.0
173.05824	0.6
175.07536	2.2
181.08630	2.2
193.08621	21.0
195.10182	1.8
205.08636	1.6
207.10228	0.8
211.09653	23.9
213.11235	4.3
231.05077	0.6
235.09712	0.8
237.07462	0.5
253.10657	0.5
291.25842	0.5
295.11862	0.5
301.10693	0.7
319.11929	2.4
337.12811	0.9
405.11841	0.7
423.12985	2.1
423.19873	0.6
441.13867	1.1
688.28015	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	688.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99738	0.1
70.81740	0.1
73.76505	0.1
73.83714	0.2
74.80944	0.2
85.02908	0.8
91.05446	0.2
93.07042	0.4
103.05472	2.9
107.04962	1.2
120.08107	100.0
123.04461	0.3
131.04930	3.5
140.04703	1.3
145.05014	0.3
149.05986	2.4
155.07039	1.5
163.03893	0.3
166.08633	45.7
181.04878	0.2
199.06055	1.9
199.19629	0.2
216.63681	0.2
299.27136	0.2
307.26764	0.2
326.15414	0.2
612.78009	0.2
719.98901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94953	0.2
61.32087	0.2
66.06905	0.2
67.11371	0.2
69.03437	0.2
70.06585	0.3
84.08150	0.2
85.02905	0.5
92.17769	0.3
97.02899	0.2
99.59024	0.2
107.04955	1.2
114.09171	0.4
121.36339	0.2
123.04399	0.4
127.03909	0.2
131.04854	0.2
133.06502	0.4
135.08093	0.4
137.05977	1.3
145.05046	0.3
147.23972	0.2
149.05975	0.9
151.03925	1.0
152.04655	0.2
161.05959	0.8
163.07527	1.9
167.07039	100.0
175.07581	0.2
179.06973	0.3
181.08630	0.8
187.07501	0.2
191.07066	0.7
192.90506	0.2
193.08601	6.0
195.10233	1.1
211.09663	18.2
213.11188	0.5
213.29242	0.2
251.05524	0.2
281.10312	0.2
299.11273	4.0
322.91660	0.2
328.68344	0.2
352.53928	0.2
491.19113	1.2
627.48895	0.2
688.26617	0.9
688.51855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35851	0.7
57.03388	0.8
69.03436	5.3
70.55639	0.9
71.14391	0.8
78.31466	0.7
81.03410	3.4
83.97450	0.9
85.02901	5.8
85.65195	0.9
91.05479	2.0
93.07059	1.0
97.02876	1.6
99.04454	1.4
101.43565	0.9
103.05486	6.5
103.60464	1.0
105.01913	1.2
109.02876	8.8
110.30509	0.9
111.93385	0.9
119.04946	5.8
123.04417	1.0
127.03934	5.0
131.04921	32.8
133.46873	0.9
137.04918	2.0
137.05980	59.1
145.05029	1.3
147.04396	6.6
149.05989	1.8
151.07552	16.7
161.06078	1.1
163.07535	46.0
165.05453	13.5
167.07068	3.4
175.07584	4.5
177.05469	6.2
179.07034	99.8
181.08623	3.4
183.06514	1.8
191.06976	1.4
193.04994	1.4
193.08643	1.5
195.06578	1.3
197.08051	7.9
203.06999	1.2
209.08244	3.9
210.08838	3.1
215.07095	2.0
221.08113	7.7
223.09578	1.2
225.07573	100.0
227.09225	3.6
231.04964	1.2
232.11626	0.9
239.09061	3.5
241.08609	1.4
269.08109	2.1
287.09116	3.8
305.10541	1.5
355.11688	13.0
387.14301	10.5
389.15939	21.7
391.10428	1.5
409.11179	5.4
427.12250	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	688.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38040	0.6
58.12479	0.6
63.73817	0.7
70.06594	0.7
81.03420	5.4
85.02882	1.6
88.91917	0.8
91.05489	0.8
93.03402	1.0
103.05472	1.1
106.04184	3.0
106.22103	0.7
107.04929	0.7
109.02919	0.9
121.06491	3.9
125.05959	1.0
127.03965	0.7
129.06941	1.0
131.04898	1.5
137.05986	100.0
145.02800	1.1
149.05980	8.2
151.03929	3.4
151.07523	1.0
153.09052	1.1
157.06468	3.1
159.26472	0.8
160.05270	0.9
161.06004	2.7
163.07603	1.5
165.05438	0.7
167.07036	23.2
175.07538	13.7
177.05446	4.7
179.07051	1.4
180.07768	1.0
181.08665	2.9
187.07553	4.4
189.09113	3.0
191.07014	6.2
191.41110	0.7
192.07835	2.8
193.08623	3.4
199.07507	1.1
205.08617	13.0
209.08060	12.1
211.09688	3.6
217.08618	1.5
223.04257	3.2
235.09613	8.9
299.12952	1.0
428.93405	0.9
473.38498	0.9
519.20239	1.1
537.20990	1.2
549.21240	4.1
688.32806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22232	0.6
57.88556	0.6
69.03420	0.6
70.06229	0.6
70.06606	1.1
70.21691	0.7
72.08185	0.6
79.05511	0.6
84.19079	0.6
85.02915	0.7
91.05503	2.7
93.03393	2.5
93.07025	1.2
97.82263	0.6
102.80770	0.7
103.05473	1.3
105.07085	0.6
106.04171	2.8
107.04975	1.3
112.11250	0.7
117.03465	0.7
119.04915	0.8
121.06529	5.5
125.05976	0.7
131.04929	3.9
132.05617	0.8
133.52693	0.6
135.04449	0.7
137.05974	1.0
144.08093	2.7
149.05986	21.6
153.05466	1.3
153.09079	1.2
155.07019	0.8
160.05244	0.8
161.05974	79.4
163.03899	3.0
163.07532	3.2
165.05412	0.7
167.07030	27.6
172.64883	0.7
175.07550	10.8
177.05444	8.6
179.01601	0.7
179.07043	4.0
180.07835	4.1
181.08556	5.1
187.07625	0.7
191.07042	13.2
192.07787	5.6
193.08589	0.9
195.06429	4.7
203.07034	100.0
205.08653	1.4
208.42577	0.6
209.08107	12.6
215.06958	1.3
221.08086	35.9
221.89520	0.8
223.04233	7.7
233.08080	20.3
251.07007	0.9
254.25974	0.6
255.10136	0.8
265.08618	0.7
267.10208	1.1
283.09628	4.3
284.08011	2.8
295.09592	1.4
297.11230	3.3
307.09653	1.4
312.08966	1.0
315.12228	7.1
322.08234	0.7
325.10742	4.1
327.12314	3.8
337.10843	1.5
339.12079	0.6
342.64224	0.7
355.11697	4.7
357.13287	15.8
369.13254	6.9
375.14386	29.6
387.14267	14.8
405.15530	7.2
425.90811	0.6
526.17694	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	687.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40688	0.9
50.96648	1.0
59.71710	1.2
75.14371	1.0
76.01794	1.4
83.79657	1.2
130.08920	1.1
144.08099	26.7
149.26176	1.4
154.77963	1.1
158.09669	2.2
170.09636	100.0
171.10428	32.7
198.12787	1.5
199.12332	10.9
201.13899	6.7
202.14644	39.4
269.20071	2.9
301.18893	1.6
324.60803	1.6
383.23151	2.8
410.31879	1.3
531.66168	1.3
555.37439	1.6
585.37726	7.5
585.47601	1.4
687.32019	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	686.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
57.03435	9.5
59.64851	2.1
63.01853	2.0
63.95435	1.8
65.03931	1.6
65.69231	1.8
67.05515	65.8
69.07082	7.9
79.05498	11.8
81.07066	33.1
83.08622	10.6
87.07900	1.8
91.05474	10.9
93.07061	22.7
95.08610	31.3
97.06557	2.1
105.07036	8.1
107.08611	13.2
109.10162	100.0
119.08604	11.3
120.28941	1.8
121.10159	12.4
123.11781	2.4
127.89928	2.0
131.08527	2.1
133.10146	2.7
135.11700	9.9
137.09610	3.7
147.11691	2.6
149.13281	4.0
155.10696	13.2
159.11681	3.6
161.13297	2.7
173.11713	11.9
173.13145	3.6
174.71762	2.2
227.12706	2.3
229.14345	73.3
243.21162	2.5
261.22183	12.4
335.25806	60.6
364.96127	2.3
373.49326	2.1
489.35773	59.7
507.36716	13.1
528.67456	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	686.3556
Annotation	Ulongamide E
Peak:m/z	Relative Intensity
58.06608	19.2
59.07137	0.6
59.07396	10.8
60.07867	1.0
60.08172	26.3
62.10291	0.4
62.89656	0.5
63.03072	0.5
64.44407	0.5
64.63376	0.5
69.29425	0.5
70.06585	3.7
70.55019	0.5
84.08147	2.0
88.10047	0.6
91.05487	2.6
96.04475	0.7
103.05475	3.0
103.87807	0.6
104.06258	4.4
105.07054	2.4
106.06547	0.7
110.06034	2.7
112.79797	0.6
119.07320	0.8
120.08100	29.7
123.11768	0.5
130.06541	2.2
131.04929	19.6
132.08110	0.9
134.09665	2.1
135.06836	0.5
136.07599	8.7
146.06087	1.3
148.07602	5.2
148.11243	2.7
161.09583	2.3
164.63680	0.6
173.09630	2.6
175.11237	1.3
176.10680	5.4
178.08615	0.7
186.09209	1.3
188.07188	0.9
188.10721	7.4
190.12236	7.8
200.10672	4.2
201.11519	2.3
202.12277	11.3
207.14893	4.8
214.12321	2.2
215.08235	1.4
217.77780	0.6
222.12837	4.9
228.10304	0.8
234.11212	0.7
245.12952	0.7
250.12297	1.0
257.12955	0.6
259.17941	1.9
266.48917	0.6
293.12704	0.6
303.13193	0.6
304.17087	0.8
307.14502	0.9
313.37918	0.6
335.17685	0.7
349.19202	3.0
392.19971	1.0
627.28326	2.3
658.36572	3.8
686.35504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.9
59.24212	0.4
62.48243	0.4
67.34528	0.4
70.06583	0.9
72.08138	0.8
92.17812	1.0
92.91747	0.5
116.78893	0.5
119.02894	0.5
123.54394	0.5
144.08090	25.6
149.43307	0.4
158.09685	1.1
159.10474	0.8
163.03857	0.7
170.09644	100.0
171.10423	22.2
187.12387	0.9
201.13875	3.1
202.14673	11.4
261.28473	0.5
277.08359	0.5
315.13345	3.5
353.50778	0.5
468.18759	0.5
512.08063	0.5
549.93091	0.5
667.25885	0.6
685.29688	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01867	1.8
57.03432	0.6
58.42386	0.3
61.02935	0.3
69.03429	4.0
70.06581	1.2
71.04991	0.3
72.08149	0.5
73.02904	0.6
81.03423	4.9
85.02911	11.6
87.00840	4.1
97.02894	4.3
99.04455	2.8
103.05486	0.4
105.01888	3.2
105.07038	3.5
107.04942	2.0
109.02874	6.0
111.04454	0.3
115.05424	0.5
117.01875	0.4
121.06510	0.3
127.03911	7.6
129.01862	0.4
133.06506	7.1
135.08047	0.4
143.06067	0.4
145.04985	1.6
145.06465	1.3
147.08018	0.5
148.79533	0.3
149.05981	0.5
159.02943	2.9
161.05971	13.5
163.03897	2.2
163.07507	2.2
163.96097	0.3
167.07031	100.0
173.05978	0.4
175.07559	1.2
179.07082	0.3
181.08545	2.3
193.08609	36.9
195.10210	1.3
205.08636	1.4
207.10075	0.4
211.09637	22.4
220.09702	0.6
231.05090	1.5
235.09702	1.6
239.09138	0.3
251.08974	0.5
253.10692	2.0
277.10703	0.5
295.11664	0.5
301.10516	1.1
319.11823	3.0
337.12762	1.3
363.37476	0.3
403.17676	0.4
405.11835	1.5
423.12744	2.3
432.71375	0.3
441.13892	2.3
459.14700	0.3
686.26465	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	685.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14212	1.4
53.66709	1.4
56.21639	1.6
67.35148	1.6
69.62267	2.0
80.20670	1.5
132.92793	1.6
137.06000	2.6
161.06012	2.5
167.07060	23.2
170.09653	10.2
173.05959	10.1
181.04948	28.6
189.09196	2.2
191.07021	8.5
214.62096	1.9
217.08679	22.1
219.08163	2.9
233.08003	2.4
245.08156	7.6
246.08699	2.9
277.08585	3.3
293.08099	1.8
302.51331	1.8
307.09540	6.4
312.76697	1.8
322.08624	1.9
323.09207	19.0
337.10992	3.0
354.11142	2.4
369.13327	100.0
399.14410	13.1
417.15628	3.1
431.23935	2.0
459.16534	40.5
685.23541	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	684.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41774	1.2
53.03950	2.0
55.01872	2.6
55.05515	2.7
57.03444	6.4
61.02928	2.8
61.18350	1.2
63.03181	1.9
67.05521	2.2
69.03441	25.5
69.07067	3.0
71.01426	1.5
71.04977	5.2
73.02953	4.4
73.83537	1.4
80.93378	1.4
81.03434	18.6
81.07059	8.7
83.04980	2.9
85.02913	100.0
86.03256	2.6
87.00838	32.6
91.05486	2.2
93.07027	7.1
95.04993	6.3
95.08613	12.8
97.02894	36.2
97.06535	1.5
98.03246	1.6
99.04456	12.3
105.01882	51.9
105.07022	8.0
107.08622	11.3
109.02894	31.8
109.06517	7.0
109.10154	11.0
111.08083	1.8
115.03926	3.2
119.08566	19.0
121.10153	10.7
123.08007	3.2
127.03917	73.2
128.04204	2.2
129.01822	6.2
131.08565	3.5
133.10143	26.7
135.11681	7.9
137.09625	7.5
145.04970	16.4
145.10126	15.0
147.02879	1.8
147.08051	3.4
147.11678	3.3
149.13278	2.2
157.08896	3.2
157.10091	3.2
158.09534	1.6
159.02928	12.7
159.11700	9.8
161.09656	6.1
161.13304	18.1
163.11189	2.2
165.09088	3.3
170.10878	3.4
173.13257	6.6
175.14816	19.3
183.10446	6.0
184.10883	1.8
185.13260	24.8
187.14822	11.6
195.10437	1.6
203.14325	43.2
205.15877	10.9
207.10194	3.1
210.12804	7.6
211.13156	2.6
213.04016	6.0
213.11127	1.9
221.15387	29.8
231.04945	21.1
231.12202	2.3
244.13335	1.6
247.04552	2.3
249.06029	18.3
256.13281	39.3
257.13675	43.9
273.15994	5.7
274.16223	10.2
292.08398	1.6
353.73532	1.6
357.08752	1.7
375.09320	2.8
393.10321	13.3
411.11420	9.3
413.14551	2.9
469.21222	1.7
535.61566	1.8
575.19708	8.4
684.26782	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	684.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60601	0.3
61.02901	0.4
69.03418	1.7
71.08713	0.3
85.02915	7.2
97.02898	2.0
109.02860	0.7
117.03384	0.7
120.59432	0.3
126.94350	0.4
127.03919	2.0
128.72687	0.4
135.04410	2.0
145.02898	3.7
145.04976	2.2
163.03903	100.0
181.04955	0.9
193.61087	0.4
202.16905	0.4
307.08182	0.5
323.05545	0.5
325.09186	17.5
325.12784	0.7
343.10355	2.2
454.40567	0.4
487.14401	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	684.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31929	0.2
59.65331	0.2
79.05475	0.2
89.03933	0.5
92.54435	0.2
103.05511	1.7
107.04959	0.8
117.03361	0.5
120.08101	69.6
121.52778	0.2
123.04350	0.2
127.04003	0.2
131.04909	2.1
135.04413	0.9
145.02841	1.0
149.05986	3.2
157.60701	0.2
162.03197	0.7
163.03882	6.8
166.08627	29.6
166.29033	0.2
170.98438	0.3
177.05464	100.0
201.05698	0.3
262.01318	0.2
267.65149	0.2
272.64615	0.2
323.05371	0.2
339.06778	0.3
339.10699	7.5
351.61353	0.2
357.11871	1.8
519.16461	0.4
611.50366	0.2
684.23474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56477	0.2
67.97982	0.2
69.03431	1.1
72.65230	0.2
81.03413	0.9
84.08112	0.2
85.02890	1.1
89.03893	0.4
91.30920	0.2
99.04439	0.3
109.02858	1.1
117.03381	0.7
127.03896	0.9
135.04430	2.6
145.02849	4.1
155.84358	0.2
159.19682	0.2
163.03897	100.0
181.04967	1.7
242.06799	0.2
307.08102	3.3
323.32935	0.2
325.09146	12.9
333.42505	0.2
343.10220	1.2
383.15106	0.9
401.16083	1.0
469.13666	0.2
487.14590	6.1
505.15561	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	683.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11303	0.6
52.53473	0.6
53.03953	1.0
58.06613	0.7
64.47896	0.8
66.41421	0.8
69.03429	8.4
69.07061	1.5
70.06603	0.7
71.04993	1.2
73.02920	2.0
81.03416	5.4
83.04967	1.1
85.02912	16.2
87.00854	1.5
87.04442	1.0
93.07050	3.9
97.02911	6.7
98.09686	0.8
99.04459	1.7
105.01871	0.9
109.02898	6.5
127.03935	10.3
131.07372	1.3
132.08092	1.9
144.08092	28.6
145.04982	1.1
145.08858	1.5
146.09645	0.9
147.88698	1.0
158.09669	16.4
159.02917	1.1
163.03912	1.0
167.07297	3.7
168.08116	1.7
169.08879	7.7
170.09680	5.4
172.11185	1.9
174.09073	1.5
181.08891	3.7
182.09666	17.4
183.10446	11.7
184.11218	7.7
186.09300	0.8
194.09790	0.9
195.10464	4.2
196.11221	19.7
197.12074	5.3
198.12784	91.9
200.10706	17.8
208.11212	1.2
209.11925	6.2
210.12785	4.3
212.14359	21.5
222.12843	1.8
224.14336	46.6
226.15808	1.2
238.12276	1.1
238.15945	1.9
242.11768	1.0
242.15393	25.8
242.17702	1.3
248.14539	1.2
255.18626	1.3
266.15485	5.7
284.16373	2.0
386.19638	1.4
490.20389	2.8
639.31274	4.5
652.25946	4.2
683.30261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13305	1.8
54.58853	1.7
64.50246	1.9
70.33635	2.2
72.08157	3.2
87.08282	2.0
91.37401	2.1
103.20546	2.0
138.09196	3.0
154.05038	3.4
164.10713	2.4
170.09599	2.8
176.10857	2.1
180.99796	2.1
188.07811	2.4
192.10176	4.0
204.10214	4.4
210.11180	4.7
217.09651	2.5
222.11244	3.7
231.11246	18.3
249.12311	3.8
257.12909	3.5
261.08752	9.6
275.10239	100.0
275.13315	3.7
301.11627	17.6
327.09650	9.5
345.10782	8.9
347.12195	4.8
362.18713	4.3
383.72720	2.2
390.18076	2.3
402.17972	4.8
406.17639	22.5
413.73666	2.5
444.17792	42.9
452.18201	29.6
466.19662	11.5
470.19113	3.0
514.18250	2.9
621.25488	10.3
635.27435	2.4
651.26440	14.7
653.28101	36.1
665.27948	21.3
683.29010	55.1
685.95782	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	683.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47304	3.9
54.14792	3.7
54.20849	3.3
54.88479	4.1
56.73330	5.0
63.25995	4.0
72.43554	4.2
76.51447	4.6
100.97365	4.8
128.81522	4.9
137.13165	6.4
142.83745	4.4
170.09590	5.9
174.36197	4.2
203.76553	4.7
217.09636	8.0
261.08792	45.7
269.09064	5.6
275.10275	29.8
301.11945	45.5
347.12201	9.7
406.17596	39.5
408.18723	6.0
409.19183	5.5
422.20691	5.0
426.20239	5.8
430.16577	5.1
434.16953	6.9
444.17413	8.4
449.87665	5.4
452.18069	55.9
466.19565	28.4
606.94641	6.3
621.25690	54.7
635.26776	6.1
653.28192	100.0
683.29126	73.0
702.88403	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	683.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31961	1.2
65.81281	1.3
73.81470	1.3
110.06081	2.5
136.03989	1.9
150.05495	2.2
154.04999	11.3
164.10760	1.3
170.09644	3.3
175.54245	1.3
178.04999	10.9
192.10201	8.6
196.06038	5.7
206.11559	1.9
217.09760	41.1
224.12854	2.7
235.10770	9.1
241.09880	1.5
259.96524	1.4
261.08698	100.0
269.09164	20.5
285.08807	14.4
287.10257	15.3
301.11841	6.3
313.08191	41.5
319.13165	1.6
345.10794	43.2
406.17688	12.5
412.15054	3.0
430.16129	58.3
434.17053	2.1
452.18121	1.7
454.16125	2.5
466.19809	29.5
482.15167	2.7
514.18237	36.1
546.45471	1.7
635.26941	6.5
665.28339	49.3
683.29309	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	683.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85601	1.0
79.29175	1.1
79.93578	1.0
80.33013	1.0
85.30728	0.9
114.83921	1.2
144.08089	30.2
158.09662	2.2
170.09648	100.0
171.10419	18.7
201.13881	5.5
202.14664	9.9
490.26874	1.4
529.25934	1.1
554.91754	1.2
683.17346	1.9
683.28149	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
54.29416	0.8
55.01883	3.6
57.03442	1.5
61.02928	1.4
68.99776	1.1
69.03442	14.6
71.04971	1.4
72.08168	1.2
73.02904	2.0
81.03435	11.1
83.05011	0.9
85.02913	39.8
87.00824	7.7
97.02895	13.7
99.04470	6.6
103.03951	1.6
105.01870	11.0
107.82147	1.0
107.82837	1.1
109.02889	14.0
120.78817	0.9
127.03930	25.9
129.01846	5.4
129.90543	1.0
131.07330	1.4
137.94017	0.9
144.08109	1.6
145.04979	4.8
145.08900	5.8
147.02914	1.6
157.08865	10.9
158.09650	2.0
159.02876	6.5
170.09689	1.4
182.09673	4.2
183.10463	8.6
195.10490	1.9
196.11307	1.8
210.12810	14.4
212.10741	3.7
212.14384	2.0
226.12242	1.1
230.11702	6.7
231.04927	2.0
238.12421	1.4
244.13373	5.9
256.13315	100.0
272.12833	1.2
273.15997	19.8
298.14435	1.2
299.16763	1.1
320.30960	1.1
504.18451	1.4
521.21466	1.6
683.26538	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
67.14870	3.3
93.23656	3.6
95.94771	4.1
106.15854	3.9
120.32607	3.6
131.33383	4.7
145.06496	4.7
148.65340	3.8
163.10709	3.8
165.05499	17.6
167.07037	13.7
173.06047	4.9
181.04951	100.0
181.06410	7.9
197.08136	16.4
201.05589	6.3
207.06612	5.6
385.12897	4.3
388.27075	4.6
416.14844	5.3
417.16071	5.1
604.57977	4.8
611.42139	4.5
664.39441	4.5
683.22955	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
55.01883	3.3
55.12423	0.6
57.03452	1.7
57.87256	0.7
60.09464	0.7
61.02931	1.9
69.03436	21.3
71.05000	3.1
73.02917	3.1
78.21751	0.7
81.03428	15.9
85.02914	53.3
87.00830	10.7
87.04464	0.7
92.18399	1.3
97.02907	20.5
99.04449	9.8
103.03942	1.5
105.01873	11.1
109.02888	25.6
111.04465	0.9
117.05751	1.8
123.67542	0.9
127.03922	40.0
129.01845	4.2
130.06546	6.7
131.07326	7.5
143.07350	1.8
144.08089	1.2
144.61020	0.8
145.04967	7.5
147.02917	1.7
159.02901	11.7
168.07997	1.6
169.08868	1.4
170.09657	5.4
174.11543	22.5
181.08792	0.9
182.09662	1.2
196.11234	14.9
197.11826	0.9
198.09138	14.6
205.06958	1.1
212.10693	3.3
216.10201	24.5
216.12259	0.8
222.47961	0.8
224.10722	9.9
225.27802	0.8
230.11780	7.1
231.04997	3.4
242.11758	82.2
273.15970	35.9
508.10391	0.8
590.85388	1.0
639.27795	3.3
683.26611	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62883	5.1
52.43861	5.4
53.58678	5.2
57.07087	11.3
70.62588	6.8
83.04987	10.1
90.11234	5.7
92.61987	6.5
101.14885	6.4
147.11673	8.4
160.06706	6.4
162.47487	6.3
225.12790	6.3
232.12238	6.6
239.04668	8.1
273.50183	5.9
280.66641	7.1
282.16595	6.3
321.97977	6.9
337.02475	56.1
393.08618	34.2
409.40707	7.0
525.18140	27.5
581.24127	10.4
637.30615	75.5
682.36188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19240	1.0
58.06610	18.6
59.07391	14.8
60.08171	24.5
61.79805	1.1
70.06587	1.6
72.08160	1.4
91.05480	15.8
94.82891	1.5
103.05471	6.1
105.07053	7.6
107.08534	1.5
110.81871	1.3
118.06553	5.6
119.04953	2.0
120.08086	14.1
131.04935	15.3
134.21307	1.3
136.07553	2.8
146.06021	21.9
148.11261	1.5
159.06726	1.7
169.10161	5.7
172.03963	2.9
199.20740	1.3
208.11281	7.7
222.12965	1.5
225.09169	1.7
228.10304	2.8
249.11346	1.7
250.12288	8.3
270.11221	13.0
309.15988	2.1
309.19583	59.6
350.51599	1.2
681.32928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89402	1.2
55.01884	1.1
55.05506	2.5
57.94445	1.3
58.52574	1.1
61.02917	2.4
67.05492	7.0
69.03428	9.4
69.07066	7.1
71.04990	5.8
77.33353	1.4
79.05494	2.0
81.03431	9.8
81.07067	16.4
83.08628	5.5
85.02418	2.4
85.02911	62.4
85.06550	100.0
87.00828	10.6
93.07044	6.0
95.08610	27.2
97.02874	12.8
97.10165	4.9
99.04462	3.2
99.08094	7.5
103.03950	1.9
105.01854	16.4
105.07053	1.5
107.08586	9.8
109.02872	12.5
109.10156	29.3
121.10116	9.8
123.11708	27.9
127.03925	24.4
127.11173	1.8
133.10092	1.5
135.11708	8.1
137.13306	2.1
141.01822	12.5
145.04980	6.0
149.13240	7.5
159.02850	5.4
163.14804	3.4
184.18530	1.5
190.80830	1.4
205.19548	9.0
212.02397	1.5
223.20554	14.8
231.05017	5.2
241.21617	86.4
249.06097	3.1
389.07327	2.1
407.08334	1.7
435.24039	2.0
473.21765	2.0
682.37579	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	681.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25241	1.7
59.14120	1.6
61.25989	1.8
63.85014	1.9
64.04258	1.8
68.51652	1.9
71.93636	2.1
80.52161	1.9
83.60354	2.0
91.05524	2.3
91.97607	2.1
107.04995	3.2
140.04689	3.5
151.07539	9.1
153.05603	2.8
155.07043	3.9
167.07025	52.7
173.06036	3.2
181.04970	9.4
191.07045	3.6
201.05473	96.2
201.07243	3.9
205.04958	4.5
208.07301	2.0
213.05489	42.8
219.08179	3.3
231.06543	23.6
247.07535	7.7
251.14088	2.4
263.06970	3.0
264.07803	7.7
267.10168	2.9
275.07022	13.4
277.08676	2.3
279.10513	2.9
279.13266	17.8
291.06714	3.2
292.07257	13.9
295.09717	2.8
302.05884	3.2
303.06509	46.0
304.07306	3.7
305.04453	4.2
307.09698	16.8
317.08102	3.3
320.06870	40.6
323.09152	2.4
335.09171	63.6
352.09515	3.1
355.11972	11.8
367.11774	100.0
385.12808	70.1
413.12152	3.5
569.09436	2.3
681.26630	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	681.2527
Annotation	Temoporfin
Peak:m/z	Relative Intensity
57.20165	1.4
70.09225	1.3
83.63012	1.4
87.04482	2.0
89.06039	10.9
91.05491	3.1
93.03397	3.5
93.07063	3.3
95.04924	1.9
100.31062	1.3
103.05472	1.5
105.07021	7.4
106.04133	2.5
113.70876	1.6
121.06500	17.3
125.05983	2.9
125.40186	1.4
125.41099	1.5
131.04939	3.5
133.06494	9.2
147.04407	6.0
149.06010	19.1
151.07535	2.1
153.09097	3.1
159.04674	1.8
161.05939	17.9
163.15315	1.5
167.07042	100.0
177.05510	15.9
179.06932	1.7
181.08586	16.4
184.05020	2.9
184.50749	1.4
189.05240	8.9
191.06952	11.4
193.08601	8.0
209.08064	22.1
215.06851	6.7
232.07164	7.4
233.09592	6.1
249.09091	1.9
259.07809	1.9
261.09171	2.8
265.08627	2.6
273.09012	2.0
276.07846	10.8
289.08545	8.6
290.09360	6.2
291.10147	3.1
293.11673	2.6
305.08090	2.5
306.08728	1.6
308.10321	6.4
319.09702	13.3
320.10544	1.6
321.11246	7.4
323.12625	2.2
326.03894	1.9
351.12259	46.1
353.13797	3.9
429.15262	1.7
482.26312	1.7
587.61835	1.7
621.23022	29.3
653.41321	1.8
681.25134	71.8
708.25220	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	680.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01620	2.3
57.07085	39.6
58.07407	3.5
58.51016	2.2
74.39204	2.4
76.94581	2.4
77.46111	2.5
83.04974	32.7
84.05325	3.1
89.60339	2.6
144.36853	2.6
147.11699	28.1
148.12032	5.5
151.01509	3.4
175.01523	3.1
186.91451	2.3
227.04704	3.0
239.04639	10.6
337.02359	77.3
338.02682	25.5
339.02847	14.4
358.45938	2.4
393.08633	30.0
394.08972	4.5
395.09265	3.9
469.11792	5.8
470.11749	3.8
471.12433	5.5
499.47287	2.9
525.17865	11.9
526.18445	3.6
527.18311	6.3
528.62708	2.5
581.23993	13.9
582.24927	5.1
583.24615	19.7
637.30432	84.6
638.31030	4.4
639.31177	100.0
680.34247	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	680.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	8.5
57.07070	1.2
57.48371	1.0
60.04514	0.9
62.61605	1.0
67.15992	1.0
69.03441	1.4
70.06601	24.3
72.08164	14.1
81.03443	1.6
81.07060	1.2
83.04954	1.5
84.08154	10.4
85.02901	1.8
86.09733	4.4
91.05481	1.8
93.07061	1.4
95.04967	1.4
96.08133	1.7
105.01890	1.1
109.10223	1.3
112.11270	4.4
113.07118	1.2
114.09192	9.9
115.09545	1.3
119.08604	2.5
121.10131	1.5
123.04407	1.1
123.08115	1.1
125.05979	9.0
126.61586	1.0
129.10242	2.5
129.13860	1.5
131.04935	1.3
133.10132	5.4
135.04445	2.3
135.08073	6.7
136.07553	2.2
137.06035	1.9
145.02884	2.5
147.11707	1.3
149.09682	4.5
155.11830	5.9
161.05986	1.4
161.09595	8.4
163.03903	65.5
163.11238	4.2
165.05589	1.5
177.73363	1.0
179.07141	1.2
179.10654	31.0
180.07837	2.1
187.58908	1.0
189.16435	1.3
190.08618	1.2
191.07115	5.0
192.07799	12.6
209.16576	5.7
217.15871	13.9
218.08173	1.4
219.11284	1.1
220.09689	81.6
235.16931	79.1
236.12842	1.4
244.31070	1.3
253.15546	1.4
265.15567	4.1
291.17023	2.1
292.17798	1.7
309.20303	1.8
321.07898	2.2
428.17093	5.3
471.23358	1.2
483.38690	1.1
501.25879	2.5
535.33759	1.2
680.31848	100.0
680.51556	11.6
692.19843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68105	1.5
53.03946	1.8
54.48106	1.5
55.01886	2.0
55.05528	12.7
55.96270	1.3
56.58041	1.2
57.03463	1.4
57.07077	1.6
57.34684	1.3
59.05013	1.4
59.41943	1.2
62.14145	1.2
65.03987	1.3
67.05515	21.4
69.03432	6.4
69.07077	16.2
72.08145	1.5
76.22787	1.4
79.05522	13.1
81.03429	3.1
81.07066	58.2
83.08621	7.3
85.02913	48.3
87.00844	7.7
91.05484	28.1
93.07051	100.0
94.43469	1.4
95.04980	8.9
95.08607	54.0
95.09169	2.8
97.02905	12.5
97.06525	2.1
97.10167	2.7
99.04408	2.4
105.01870	19.9
105.04501	2.2
105.06377	2.6
105.07035	47.5
107.08604	53.5
109.02878	7.0
109.10161	84.1
111.08099	21.4
111.41100	1.5
114.09139	6.5
119.08577	41.4
121.10145	31.2
123.11720	14.5
125.09669	1.8
127.03902	23.3
129.01805	2.2
133.10135	28.0
135.11703	42.9
139.11159	1.9
141.01823	8.1
145.04955	7.1
147.11694	63.6
149.13246	3.3
159.02893	2.3
161.13255	16.1
163.14841	3.0
165.12793	2.3
175.14803	6.0
189.04024	1.8
203.17969	99.4
209.16360	2.3
210.16611	1.4
221.19035	18.9
231.04967	13.5
249.06165	9.8
261.06015	2.0
303.07108	2.5
389.07098	6.0
407.08286	8.1
425.09375	3.0
430.09012	1.3
460.13284	1.8
680.00989	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	680.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01873	1.7
55.05509	4.4
55.80460	0.9
57.03451	1.7
57.07078	0.9
61.02927	1.9
67.05515	17.3
68.99779	1.0
69.03442	12.7
69.07075	9.5
71.01354	1.0
71.04986	1.7
73.02925	1.3
75.81712	0.7
79.05478	8.9
81.03433	9.3
81.07063	42.8
83.08640	1.7
85.02910	92.2
87.00831	16.7
91.05483	13.5
92.17803	1.1
93.07043	27.9
95.01334	1.2
95.04972	3.7
95.08611	64.2
97.02892	20.0
97.10154	1.3
99.00832	1.1
99.04462	7.9
103.03935	4.1
105.01869	22.3
105.07037	50.2
107.08598	50.6
109.02892	15.2
109.06532	1.4
109.10165	55.3
109.14420	1.0
111.04499	0.9
111.08147	1.0
111.11672	1.0
114.09196	2.1
115.03916	1.4
119.07713	1.0
119.08585	34.0
121.10139	20.5
123.11722	10.4
125.02372	2.0
127.03920	34.7
129.01833	5.5
131.04849	0.8
133.10138	27.6
135.11679	13.8
141.01831	14.6
145.04982	10.4
145.10141	3.6
147.02853	2.1
147.11691	54.1
151.03859	1.4
159.02878	9.2
159.11710	1.8
161.13252	17.0
163.14877	2.8
169.04984	1.4
171.02884	1.0
175.14809	6.7
175.51436	0.9
189.03941	5.6
199.03030	0.8
203.17952	100.0
204.54294	0.8
209.16508	1.3
213.03990	1.6
221.19020	9.9
231.05022	14.7
249.06055	10.6
261.06091	6.8
267.05191	1.0
273.06046	3.7
285.05945	1.2
303.07169	3.6
345.29462	0.9
389.07135	5.0
395.51978	0.8
407.08136	10.9
425.09149	4.1
451.23398	1.3
679.84949	1.2
680.18347	1.4
701.84833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98610	0.5
51.97203	0.5
60.95682	0.5
63.87716	0.6
65.03948	2.6
70.06596	1.0
72.08156	0.9
73.02920	0.8
77.73682	0.6
79.05467	0.6
85.02893	1.0
85.47325	0.6
86.09705	2.4
91.05473	1.1
92.44434	0.6
93.03411	3.4
93.29192	0.6
103.03949	3.1
103.05484	1.3
103.70808	0.8
105.07042	0.7
109.06457	0.9
110.03670	2.6
111.04469	5.6
114.09216	0.8
119.04973	1.4
121.02856	2.6
125.05990	6.2
131.04916	3.9
133.92363	0.7
135.04446	1.0
135.08109	0.8
137.05998	24.3
145.06541	0.8
147.04401	1.0
148.05290	0.7
148.51534	0.6
151.07527	3.4
153.05472	21.0
161.06044	1.0
163.03828	4.4
163.07600	2.4
164.04695	6.5
165.05486	1.1
165.09181	1.0
167.06989	5.7
173.06064	3.1
175.03896	1.1
175.07526	1.1
177.01920	0.7
177.05507	2.6
179.07100	1.2
188.04694	0.8
191.03436	1.0
195.06598	1.4
201.05557	1.3
204.04205	3.0
207.06558	3.8
219.06485	5.2
231.06586	2.6
263.07190	0.7
265.08566	1.5
275.06744	0.8
283.09750	3.3
293.08154	2.8
296.06873	1.5
298.08292	1.2
305.08133	0.8
308.06805	1.2
311.09204	4.7
321.07428	0.8
323.09421	0.9
335.09271	0.7
337.10767	1.4
339.08615	11.1
339.12155	1.0
341.10333	1.0
343.11841	1.0
362.27869	0.7
371.11502	0.8
385.12943	0.8
413.11896	0.8
504.14294	3.9
516.14081	5.4
534.15302	12.4
621.19708	21.6
680.27057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43959	0.3
54.12268	0.4
66.17845	0.4
69.07058	1.8
74.37258	0.4
82.97417	0.4
92.17797	0.9
92.59088	0.5
96.08138	12.2
113.10766	6.1
114.09171	57.9
115.07523	0.7
132.10223	1.0
208.18149	2.8
209.16499	32.1
210.14964	0.9
226.19147	11.6
227.17532	6.3
228.15950	18.0
243.00975	0.5
245.18629	1.7
265.29617	0.5
321.26422	2.5
322.24896	15.9
339.27527	6.8
340.25943	2.4
341.24271	6.4
434.35022	2.4
435.33353	5.1
452.36252	3.4
453.34161	1.0
454.32660	0.9
547.43298	0.5
548.41895	1.8
549.25775	0.5
566.43182	0.6
601.76886	0.5
627.90741	0.5
656.39978	0.5
661.50214	3.3
679.51190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29434	13.7
50.94649	17.1
59.75919	15.7
60.23836	13.7
63.80302	18.8
67.05506	93.2
69.07080	18.2
70.58784	17.9
81.07048	100.0
83.08633	37.9
95.08585	90.4
107.08566	19.3
109.10168	42.0
123.11717	20.5
139.14153	18.0
164.98680	17.7
179.01288	17.9
193.46545	19.5
214.58427	18.4
245.22652	29.5
263.23706	84.9
277.45105	17.2
337.27612	42.3
453.66040	18.0
499.16501	18.3
499.32852	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	678.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01653	4.2
53.12619	4.2
53.21139	5.0
57.07079	32.2
57.29684	5.3
60.42281	4.8
62.44000	5.5
71.08630	53.7
76.12606	5.1
85.10181	33.0
87.04462	10.1
89.06044	100.0
93.07075	7.0
95.34921	5.2
98.14020	5.4
104.97898	5.2
121.06522	23.3
124.73032	5.2
125.19805	5.3
131.07040	7.7
133.08601	25.4
136.07651	6.0
147.08058	8.5
177.11197	11.9
247.20601	10.8
291.23160	9.0
661.44965	52.1
678.48077	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48707	1.1
63.42456	1.1
79.71349	1.3
91.05502	2.3
95.18326	1.2
110.88537	1.3
133.02884	5.6
137.05952	1.9
142.40759	1.5
147.04329	1.7
165.05495	6.4
167.07016	4.7
179.07043	1.7
181.04938	21.2
197.08112	6.8
199.07501	2.2
206.58878	1.4
207.06552	7.0
231.08128	1.6
232.08583	1.4
239.09007	1.7
248.08371	6.0
249.08987	2.4
259.07642	1.7
260.08264	2.6
261.09222	4.4
262.10120	1.9
263.10614	5.3
265.08621	6.2
267.08698	8.3
270.20322	1.2
273.09192	6.7
275.07071	2.3
276.07816	24.9
277.08542	2.1
288.07822	5.5
289.08603	7.1
290.09406	7.5
291.10187	17.3
292.11105	1.8
293.08075	8.9
301.08514	5.0
304.07330	8.3
305.08124	2.8
305.11441	2.1
306.08926	2.0
308.10471	13.4
319.09665	32.8
320.10394	9.8
320.13882	1.3
321.07706	2.1
321.11258	5.4
323.12656	13.6
336.09906	2.8
336.13626	2.3
337.10318	1.9
351.12274	100.0
352.13101	2.2
389.93808	1.4
548.01099	1.4
700.77295	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	678.364
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15948	0.4
91.64789	0.4
95.04972	1.7
102.81474	0.3
104.52988	0.4
105.92905	0.4
107.04961	8.8
135.08063	100.0
136.52530	0.4
147.08067	0.6
161.09637	0.6
173.09610	6.4
191.10756	0.9
209.11731	27.2
238.85974	0.4
295.59171	0.5
325.18036	2.4
350.72168	0.4
400.99942	0.4
493.25888	38.9
646.95819	0.5
662.04565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18126	8.6
61.02935	15.7
62.89956	9.9
67.05505	56.3
77.18788	8.8
79.05509	34.3
81.07053	75.4
87.94794	10.0
91.03939	20.4
93.07050	45.6
95.08615	77.0
95.21038	11.0
104.46086	10.4
105.07085	12.5
107.08582	53.0
109.10139	49.6
121.10151	62.6
123.10857	10.5
123.11710	17.1
131.08543	13.2
133.10155	13.1
135.11716	16.7
142.96103	10.6
161.13283	11.7
173.13202	15.7
261.22223	100.0
335.25851	25.4
353.27032	76.5
387.70538	11.0
559.51801	11.3
677.26898	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91868	0.5
52.50235	0.5
52.52103	0.4
52.93675	0.5
59.41394	0.5
119.40723	0.6
154.44977	0.5
154.70296	0.6
165.39948	0.5
185.04193	0.7
203.05327	2.7
259.07968	3.1
285.08365	0.6
347.09708	2.6
355.10971	0.7
365.10480	4.7
421.13251	2.1
494.60614	0.6
515.31940	32.6
636.63422	0.7
666.46552	0.6
677.37207	100.0
701.58386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13020	1.5
60.80672	1.4
62.46597	1.6
73.69424	1.6
82.31010	1.7
159.23628	1.8
284.30219	1.7
515.31982	26.2
529.36688	2.0
576.05060	1.8
635.66217	2.0
648.48199	1.8
677.37195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43229	2.6
55.05514	4.8
61.02921	23.3
61.10202	3.7
67.05511	66.9
69.07072	8.4
73.02917	13.5
76.63150	3.6
79.05495	33.8
81.07061	68.2
83.08623	7.6
85.02896	35.7
85.06575	3.9
91.03957	35.7
91.05470	20.8
93.07043	52.0
95.08611	64.3
97.02899	6.1
105.07043	21.9
107.08600	51.6
109.06539	4.7
109.10158	43.5
119.08582	17.1
121.10149	53.2
123.11724	18.0
127.03919	14.9
129.59328	3.9
131.08594	26.8
133.10162	17.6
135.11688	40.6
137.13193	4.4
145.04964	15.6
145.10123	23.7
147.11708	15.1
149.13269	19.8
159.11687	20.7
161.13251	15.6
163.05991	21.6
163.14778	20.3
173.13251	20.4
177.16356	6.0
187.14792	6.3
193.57721	4.0
222.78520	3.6
243.21036	36.4
261.22125	100.0
270.44156	3.5
335.25790	15.9
353.26871	87.1
497.31113	8.8
498.17932	6.1
499.18411	22.6
559.20898	4.7
645.24207	5.3
646.25043	4.8
677.26721	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	677.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23424	0.9
58.06611	21.5
58.85325	1.0
59.07394	17.1
60.08172	36.5
60.16527	0.9
67.48433	0.9
68.20773	0.9
73.98292	0.9
91.05483	5.7
103.05457	2.6
105.07039	1.7
119.07332	7.5
120.08112	25.4
130.06540	4.4
131.04922	22.9
136.07558	10.9
137.06004	2.4
145.05243	6.3
146.05983	12.9
197.09677	1.6
205.10086	1.2
207.07983	1.9
208.11305	1.6
220.11166	1.9
221.09695	1.3
222.12862	1.7
224.10730	1.8
236.10896	1.3
237.09041	2.0
248.10670	1.6
249.11584	1.8
250.12228	1.4
261.60867	1.4
276.10220	2.0
284.12927	6.9
307.11240	1.2
309.12381	5.2
314.64227	1.4
339.13672	1.1
415.20679	1.3
426.18552	1.2
486.90384	1.1
567.08490	1.2
618.26031	5.3
677.33380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06619	4.0
59.07372	0.9
60.08174	50.0
66.01915	0.4
66.68047	0.4
68.03507	0.3
68.37254	0.4
69.07106	1.3
84.08144	1.8
86.09713	20.7
88.04015	0.6
92.18461	0.5
97.06535	11.3
106.25974	0.4
114.09169	1.9
114.12815	1.7
119.07359	0.8
121.06513	0.7
126.09141	0.5
134.04405	0.4
135.06821	1.8
136.07587	8.9
146.06035	0.5
152.10730	0.9
154.08669	0.4
154.15950	1.6
155.08167	1.9
158.57666	0.5
158.94156	0.4
166.00006	0.4
166.12219	0.7
167.08153	0.8
173.09622	0.6
173.16528	1.9
180.13846	3.7
182.15372	0.8
185.09596	0.5
190.12277	12.3
200.10756	0.5
202.12268	30.9
204.14041	0.5
208.13370	4.1
213.09076	1.6
219.14894	1.0
223.14478	0.5
229.13419	0.6
230.11758	2.9
245.12784	0.8
247.14458	2.6
270.18494	1.8
293.22147	0.6
313.29828	0.5
315.20761	5.2
343.20142	0.9
358.21191	6.9
361.70676	0.5
363.15576	0.5
617.32147	2.5
648.39850	1.7
676.39178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46096	0.2
55.05527	3.4
55.91263	0.2
58.41625	0.2
62.55182	0.2
65.17757	0.2
65.46755	0.2
70.06590	1.0
71.07380	2.0
71.53368	0.2
72.08163	0.8
84.08150	0.2
86.09711	100.0
90.67405	0.2
99.05584	0.4
100.11256	0.3
103.05491	1.1
105.07036	1.6
112.18144	0.2
113.10775	0.9
118.06565	0.2
120.08109	27.5
141.10229	4.3
141.52505	0.2
146.06032	0.9
148.07574	5.5
148.08707	0.3
158.17888	0.2
170.09589	0.2
277.15573	1.3
305.15070	0.4
390.23862	22.9
500.23651	0.2
514.29095	6.4
676.34436	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	675.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63200	1.1
64.59852	1.5
89.59421	1.4
92.92166	1.3
211.12822	1.2
461.23083	1.4
483.16751	1.5
497.18198	35.3
498.19153	2.6
511.19894	6.8
515.19775	1.6
528.15833	2.2
555.19037	2.5
556.19495	3.1
557.20441	2.7
643.23907	8.8
644.24652	5.9
657.25629	6.4
675.26685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25339	0.6
53.61682	0.7
58.06598	4.2
60.08171	46.5
62.13938	0.7
69.03440	1.0
69.07076	0.9
70.06592	3.5
72.08154	1.6
84.08160	3.2
85.02909	1.0
86.09716	23.1
89.38677	0.7
90.99739	0.8
91.05516	1.0
92.18340	1.1
97.06536	11.7
103.05479	3.2
105.07072	5.8
105.42176	0.8
106.07369	1.3
109.02856	1.3
112.07586	0.8
114.09145	1.6
114.12833	0.7
119.04987	0.8
119.07388	1.0
119.19632	0.9
121.06470	0.9
124.36586	0.8
127.03930	0.9
131.04944	8.0
132.05316	1.4
133.06244	4.0
133.06396	4.0
134.06879	0.8
135.06816	1.2
136.07597	7.7
137.05998	8.2
138.06375	3.4
147.04391	1.1
150.06789	1.1
151.07623	2.5
154.15903	1.1
155.08224	1.1
163.03911	4.1
163.07550	11.1
164.07927	5.3
165.09090	3.6
166.09486	0.9
167.07043	3.8
168.07434	0.8
173.16518	1.8
175.07515	0.8
179.07050	1.5
180.13873	4.6
181.08514	0.9
182.15427	1.0
190.12276	11.8
193.08618	23.4
194.08925	13.0
202.12262	26.3
208.13364	5.0
211.09657	17.7
212.10023	7.6
213.09146	1.4
220.09718	0.8
222.11249	1.5
230.11839	1.8
247.14444	1.3
249.16031	1.0
257.13019	0.8
270.18616	1.3
287.27341	0.8
315.20697	5.8
341.13687	0.8
342.14319	1.5
343.20090	1.0
345.14529	0.9
358.21240	8.9
374.17041	1.0
376.18484	1.5
509.06567	0.8
616.34222	0.8
657.26923	1.2
659.53149	0.9
675.30847	3.8
675.40778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38954	1.1
51.24538	1.1
65.31077	1.2
70.06573	2.3
72.08158	5.5
101.00908	1.8
109.47009	1.6
109.93314	1.6
128.04393	1.7
131.01886	1.9
145.03502	9.4
155.01874	16.4
155.13608	1.5
157.03465	2.3
173.02950	14.1
177.05444	27.5
178.05795	1.7
185.02904	2.1
203.04060	6.3
205.03445	26.3
221.05080	8.2
223.02318	2.1
223.04514	36.7
229.03481	8.8
231.04927	1.7
233.02980	25.6
234.98967	7.3
241.03531	10.9
241.05730	1.6
243.04967	11.3
247.04506	86.9
249.06096	5.7
251.03960	13.7
255.04904	2.4
259.04523	100.0
261.06036	25.8
263.07571	1.9
265.05453	3.3
265.15454	15.1
266.16077	1.8
271.04492	9.6
273.06073	22.9
275.03931	3.5
277.05615	7.4
283.04572	7.4
289.05695	19.1
301.05624	6.9
303.05545	1.9
323.09802	1.7
331.06610	22.4
349.07733	76.5
367.08762	76.0
390.10168	1.9
465.95816	1.7
494.38593	1.8
495.11261	15.7
675.17578	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	674.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	22.7
58.39049	12.5
61.34590	12.9
64.62403	13.2
71.08627	20.7
81.05905	15.0
84.78363	13.9
85.19168	14.1
89.06030	100.0
133.08582	21.5
177.11208	22.3
193.44026	16.5
456.10501	16.1
608.36176	21.8
657.48224	28.5
674.50580	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34120	0.8
54.16267	0.5
55.01873	0.9
55.05526	1.2
56.05044	1.8
57.00942	0.6
57.03437	4.0
60.04535	72.2
61.02930	3.6
67.05501	3.2
69.03439	8.7
69.07066	0.9
70.06601	1.1
71.04988	1.3
72.04493	0.8
72.08147	1.5
73.02923	1.1
74.06079	3.2
78.52412	0.7
79.05479	1.3
81.03422	4.5
81.07054	5.9
82.06551	1.1
83.04974	0.9
83.08642	1.3
84.04530	0.7
84.05643	2.8
85.02912	49.7
86.06069	1.8
86.09717	1.0
87.04492	1.2
90.05538	1.3
91.03951	1.5
91.05426	0.9
93.07065	1.7
95.08610	4.9
97.02902	12.9
97.10168	1.3
102.05597	1.7
103.03960	0.8
104.07114	3.7
107.08580	0.8
109.02883	6.2
109.10153	3.5
115.08690	1.0
119.08577	1.1
121.10181	3.5
123.11673	1.0
127.03918	9.8
133.70628	0.8
135.11708	2.9
145.04910	5.6
149.13281	1.8
161.13269	1.1
206.10246	1.7
226.15495	6.3
248.23581	1.0
260.23865	4.1
266.24860	1.3
278.24857	10.3
296.25854	11.7
296.28970	1.1
314.26871	7.2
332.28064	9.8
350.29037	32.8
408.08142	0.8
512.34210	11.9
582.11719	1.0
674.39606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83128	0.6
55.01865	0.6
57.62016	0.7
60.44683	0.6
69.03432	1.1
70.06592	3.8
72.08150	2.9
79.05484	0.8
81.03439	1.5
84.08155	1.1
85.02917	4.3
87.00813	0.9
87.45168	0.7
91.05477	2.8
95.01084	0.7
95.04940	0.7
97.02880	1.5
99.04404	0.7
103.05492	6.8
105.01868	1.1
105.07045	13.2
107.04927	2.6
108.05756	0.8
109.02891	6.2
109.06532	1.5
118.04158	3.4
119.04947	4.0
123.04467	1.1
123.08059	1.4
127.03947	3.6
131.04056	0.9
131.04938	28.0
133.06506	14.4
135.08031	3.4
137.05994	32.8
147.04420	4.8
149.05986	2.7
150.05666	1.0
150.06779	8.9
151.07536	7.0
152.08389	1.1
159.23264	0.7
161.06024	3.9
163.03903	3.3
163.07545	45.2
165.09148	14.2
167.07036	14.2
175.07658	1.1
177.05481	1.5
178.06403	1.0
179.07031	6.9
181.08607	3.3
191.07005	1.2
191.39612	0.7
193.08623	100.0
195.10181	1.6
203.06985	1.2
207.10184	1.2
211.09673	76.6
213.11267	4.4
215.07100	1.0
221.08070	1.7
225.11298	1.0
231.04982	0.8
269.08414	0.8
287.09119	1.1
323.73798	0.7
341.14005	7.9
343.15451	0.8
373.16525	4.8
375.18021	10.7
391.10797	0.8
409.11450	2.9
427.12244	6.4
674.29065	1.3
686.07050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53241	0.3
53.03952	1.2
55.01867	1.4
55.97380	0.2
60.04514	0.5
68.91998	0.2
69.03429	3.7
69.83822	0.3
70.06575	0.5
71.04975	0.3
73.02914	0.5
81.03427	4.4
85.02907	10.2
87.00838	3.8
97.02903	4.7
99.04458	1.8
105.01881	3.3
105.07016	1.2
107.04952	1.7
109.02890	5.4
115.05447	0.4
117.07013	0.3
119.08528	0.3
123.04398	0.4
127.03903	5.2
129.01837	0.6
133.06499	1.8
135.08089	0.7
138.02234	0.3
142.77730	0.3
145.04964	1.3
145.06461	0.4
145.43121	0.3
149.06030	0.5
151.03868	0.6
153.05522	0.3
159.02856	3.1
161.05942	4.1
163.07539	1.7
167.07028	100.0
171.06653	0.3
173.05951	1.5
175.07469	0.4
179.07051	0.4
181.04944	8.1
181.06419	0.5
181.08511	2.3
191.07063	0.3
193.08594	16.8
194.17311	0.3
195.10178	0.5
205.08670	0.5
207.10193	0.3
209.08081	0.4
211.09645	29.6
213.03743	0.3
223.09708	0.3
226.06361	0.3
231.04977	1.2
235.09642	1.3
253.10712	0.5
295.11646	0.5
297.09818	0.4
301.10623	0.5
311.81528	0.3
319.11768	3.2
337.12866	1.4
391.14005	0.3
405.11746	0.5
409.14877	1.2
423.12613	1.9
441.13892	0.5
674.23987	0.6
674.38910	1.3
675.14984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99305	0.9
55.23367	0.9
60.60815	0.8
60.61128	0.9
67.58644	0.9
69.07614	0.9
70.06583	4.7
72.08151	5.8
83.96341	0.8
85.02902	2.5
86.09685	1.2
91.05467	5.1
93.03423	4.4
93.07023	2.1
95.04949	2.0
103.05472	6.1
105.07056	1.4
106.04173	4.7
107.04958	14.4
121.06509	11.1
125.05997	4.7
129.07019	1.2
131.04906	5.8
131.08543	1.4
132.05753	1.2
133.06473	1.2
133.77248	1.1
135.08075	2.2
137.05994	5.5
149.05983	25.6
151.07590	4.5
153.09091	5.1
157.06488	2.3
161.05981	100.0
161.09615	23.3
163.07542	38.7
167.07050	43.9
174.06874	1.4
175.07570	9.2
177.05486	15.9
177.09117	4.3
179.07031	4.1
180.07811	6.3
181.08601	27.9
189.09113	99.6
191.07060	20.2
192.07811	8.0
193.08632	1.7
207.10185	91.5
209.08078	34.0
219.08244	1.1
219.10172	6.2
223.04231	10.3
225.08994	1.1
253.08589	2.0
257.11804	4.0
267.55936	1.0
283.09702	1.4
284.07983	2.2
309.11206	1.1
315.12372	2.2
317.13864	1.4
327.12091	1.5
329.13708	1.6
341.13751	5.6
343.15289	2.3
361.16464	71.9
373.16376	10.5
391.17484	9.7
401.76181	1.0
512.19409	10.3
674.24890	5.3
685.35736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38077	0.8
72.02060	1.0
72.08152	5.9
84.04514	13.2
84.08160	9.9
86.09710	8.5
94.99182	0.9
101.07147	36.3
102.05566	1.0
112.03960	24.8
129.06602	57.3
129.10252	12.1
130.05037	6.0
130.08679	4.3
144.49359	0.9
147.11339	3.7
153.06557	1.3
186.12367	1.8
197.12906	4.7
198.08804	7.0
204.13420	13.7
212.10327	8.1
214.15668	1.2
223.07353	1.1
240.09781	61.5
258.10730	9.9
303.20261	1.9
326.76486	1.0
371.19177	1.7
647.74225	1.0
673.01868	1.3
673.38885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
58.04396	0.4
67.93561	0.4
69.03423	1.1
73.02935	0.5
81.03430	2.2
85.02914	6.4
85.84181	0.5
87.00823	2.9
97.02898	3.5
99.04452	0.9
103.25814	0.4
105.01859	1.1
105.07024	0.7
107.04925	0.8
108.04507	0.6
109.02896	3.8
127.03912	4.4
131.05019	0.5
133.00331	0.4
133.06485	1.9
145.04942	0.6
149.06007	0.6
159.02904	1.0
161.05986	3.0
163.07549	0.4
167.07036	100.0
173.05971	1.0
181.04965	6.3
181.08618	2.6
193.08615	14.6
194.63669	0.4
205.08629	0.6
207.10187	0.8
211.09637	23.2
219.34685	0.5
224.68837	0.5
230.46049	0.5
235.09712	0.9
251.09142	0.7
253.10757	0.7
301.10596	0.7
319.11618	1.9
409.14877	0.6
423.12701	0.8
441.14102	0.5
517.17151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.6
82.26540	0.2
113.36924	0.2
131.83891	0.2
143.83681	0.2
144.08087	28.1
145.08873	1.2
158.09666	1.3
159.10376	0.4
170.09641	100.0
171.10422	19.4
186.11627	0.3
187.12366	1.2
201.13850	5.1
202.14659	8.2
211.52786	0.2
673.34833	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32082	0.8
59.16838	0.7
70.06597	7.9
72.08156	4.9
85.02950	1.4
110.06071	4.5
119.96368	0.8
122.15026	0.7
136.07626	1.0
138.09160	1.4
140.07114	3.4
154.08658	1.3
163.03954	3.5
164.07089	3.3
170.09644	1.1
177.05469	1.0
182.08180	5.3
192.10301	3.1
210.11336	1.7
217.09711	11.6
218.08058	0.9
220.09676	1.3
222.11292	3.8
235.10770	9.1
259.10785	1.2
261.08710	100.0
269.09348	3.3
285.08826	8.5
285.12085	1.4
287.10281	8.0
301.11710	1.0
305.11655	3.4
313.08170	20.4
331.09250	42.3
362.18750	0.8
380.19849	1.7
398.17142	7.9
406.17627	17.6
408.19342	4.7
416.18176	34.8
420.19437	1.1
422.17270	1.5
436.18759	12.1
438.20313	2.9
440.18277	1.5
450.16663	1.7
452.18106	11.8
468.17630	2.0
482.19229	7.3
486.18762	18.9
545.28711	0.9
551.28705	0.9
561.27094	7.2
591.28912	1.3
607.27905	1.8
637.28680	46.5
655.29724	63.7
673.30890	40.8
673.76666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10372	0.3
58.06585	0.5
68.63508	0.3
84.56116	0.4
108.58132	0.3
132.08179	0.4
137.95731	0.4
144.08095	29.0
145.08870	0.8
158.09647	1.6
170.09650	100.0
171.10426	19.9
187.12344	0.6
201.13896	4.2
202.14656	10.2
202.16391	0.6
486.52716	0.4
673.33325	53.3
682.03589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06575	0.5
69.24796	0.4
71.27330	0.5
88.63184	0.5
100.34234	0.5
130.49828	0.5
144.08093	31.2
145.08841	1.7
151.79039	0.6
158.09636	1.0
170.09654	100.0
171.10425	19.8
187.12196	0.9
201.13904	4.4
202.14670	8.1
216.15979	0.5
372.51733	0.6
397.21310	0.6
524.47150	0.7
673.34875	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	25.2
66.31565	2.0
69.07064	2.0
71.08643	27.2
73.06562	8.5
74.81374	1.8
77.16160	1.5
83.08612	1.8
85.10191	21.4
87.04476	8.0
89.06037	100.0
91.50430	1.8
97.10167	1.9
133.08614	27.8
143.07300	2.0
177.11243	12.2
221.13904	2.1
237.16682	2.0
241.25380	2.7
251.18088	2.1
283.17526	2.3
285.27808	3.6
307.50443	1.9
329.30704	3.2
449.95288	2.0
459.27847	8.4
655.49884	41.8
672.52563	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	672.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.1
57.03445	4.0
57.07084	35.5
61.02686	0.8
61.02936	13.5
62.79792	0.9
63.45893	0.9
67.05510	8.4
69.07073	6.7
71.08633	33.8
73.02911	4.1
75.04434	1.0
81.07067	17.0
83.08627	16.4
85.02910	20.6
85.10184	19.0
89.60905	0.9
91.03954	15.8
95.08607	28.1
97.02895	8.2
97.10159	9.7
99.11725	0.9
109.10168	18.2
111.11765	1.6
123.11694	9.8
127.03944	7.4
137.13278	1.4
145.04948	6.6
152.33455	0.9
163.05998	10.5
166.65723	0.9
221.22658	0.9
239.23650	10.1
257.24768	5.6
263.26288	0.9
313.23621	1.0
313.27359	69.8
331.28424	100.0
466.85477	1.0
514.97235	1.1
655.78723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
57.03440	6.5
57.07086	33.5
58.87768	0.8
60.53611	0.8
61.02926	7.0
62.87998	0.8
64.26295	0.8
66.00909	0.8
67.05509	9.0
69.03446	7.7
69.07086	7.0
71.04999	0.9
71.08636	31.3
71.56657	0.9
73.02927	3.8
75.04478	2.0
80.74917	0.8
81.03416	6.8
81.07069	18.9
83.08629	15.9
85.02908	27.0
85.10181	19.4
91.03957	13.5
93.05529	11.9
95.08617	30.9
95.09196	1.2
95.71812	0.9
97.02885	12.5
97.10188	8.3
99.04460	2.3
99.11728	1.5
106.03337	1.0
109.02906	4.5
109.10155	17.0
111.11710	1.6
123.11715	10.0
127.03903	12.7
137.13263	1.8
145.04967	10.2
151.14819	1.4
163.05992	6.5
165.16391	1.2
239.21565	1.3
239.23575	9.8
255.10645	7.5
383.27859	12.1
401.28983	100.0
475.32413	4.4
545.33154	1.3
607.17883	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
55.06839	0.7
55.74845	0.6
57.03434	4.5
57.07085	50.1
61.02931	12.3
67.05502	10.0
69.03416	0.9
69.07072	13.1
71.08634	44.4
73.02913	4.3
75.03393	0.8
75.04482	1.6
77.29296	0.9
81.07060	24.2
83.08628	19.6
85.02917	19.2
85.10186	31.0
85.10709	1.0
89.06036	1.4
91.03960	20.0
95.08609	36.5
97.02891	8.4
97.10162	9.8
99.11755	1.4
103.07596	1.4
109.10149	20.1
111.11700	3.1
123.11704	10.0
127.03914	5.1
137.13231	2.0
145.04971	7.2
150.58784	0.9
156.88480	0.8
163.05989	7.2
184.77901	0.8
221.22684	0.9
229.78694	0.8
239.23640	9.1
257.24625	6.1
275.01752	0.8
296.61258	0.8
313.27356	87.3
331.28415	100.0
475.32916	6.2
520.15381	0.9
525.53125	0.9
525.73285	0.9
637.38770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3398
Annotation	Ulongamide D
Peak:m/z	Relative Intensity
58.06320	0.7
58.06609	26.3
59.07390	17.3
60.08172	32.6
70.06603	4.6
71.07356	0.7
71.61596	0.4
72.08139	0.4
79.88225	0.4
85.02916	0.9
91.05478	2.6
96.04462	0.7
97.05289	0.5
98.06062	0.7
103.05476	2.1
104.06248	6.6
105.07048	1.8
110.06018	3.3
119.04997	0.7
120.08108	15.8
122.20591	0.5
130.06534	0.8
131.04936	15.3
132.08121	0.8
134.09662	2.0
136.07582	11.7
146.06012	2.6
147.08073	0.5
148.07620	1.0
148.11224	2.6
159.08057	1.9
159.10443	0.8
161.09624	0.7
162.05540	0.5
172.11159	0.6
173.09703	0.6
176.10698	9.8
186.09140	1.8
188.07126	0.7
188.10696	13.2
200.10724	7.0
201.11458	4.3
202.12279	1.0
207.14970	3.1
215.77771	0.4
216.10263	0.9
222.12845	0.9
228.10234	1.1
231.11241	0.5
238.12344	0.7
259.17978	5.7
261.19547	0.5
262.10864	0.8
287.17441	0.5
290.15341	0.6
291.13428	1.8
307.14270	0.6
309.02289	0.5
309.12335	2.0
335.17465	1.0
453.51636	0.6
583.14893	0.5
613.26685	0.7
644.34467	3.9
672.33954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01877	2.7
57.03444	1.4
61.02911	0.9
69.03436	8.2
73.02903	2.4
81.03433	8.9
85.02412	1.2
85.02908	24.1
87.00837	9.1
97.02895	8.9
99.04459	6.5
102.10942	0.7
105.01887	7.6
105.07072	0.6
109.02885	11.9
113.59139	0.7
117.01878	1.2
122.03707	1.0
127.03925	17.3
129.01849	0.9
129.57114	0.6
131.04941	6.1
133.06509	3.2
137.05988	100.0
137.37982	0.7
138.82169	0.5
145.04962	7.1
145.68016	0.6
151.07545	1.1
159.02863	7.6
161.05981	0.8
163.07561	17.9
165.09102	2.2
167.07024	7.3
172.85158	0.6
175.07558	3.5
177.05447	0.8
177.09100	1.0
179.06932	0.9
181.08609	12.8
189.03979	0.9
205.08620	2.7
205.50081	0.6
209.08217	0.8
213.04027	1.2
223.09674	3.0
227.09050	4.7
231.05080	5.2
265.10739	0.8
271.09802	0.8
277.08176	6.9
278.08560	5.5
289.10693	2.7
307.11920	1.2
375.10986	0.8
393.11688	4.9
397.18161	0.7
411.12793	3.2
432.17645	1.0
433.18091	3.1
589.70361	0.7
649.55444	0.9
654.27777	1.3
672.25690	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	671.318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27541	0.4
58.09881	0.4
60.85724	0.4
70.06586	0.5
105.07038	0.6
157.90863	0.5
160.07579	36.5
161.05960	1.8
161.08398	0.5
170.09651	1.1
174.09169	0.9
186.09149	100.0
187.09923	24.2
202.10948	0.5
203.11717	0.6
217.13351	4.3
218.14172	14.8
224.09769	0.5
261.86945	0.5
317.18497	1.0
602.19037	0.4
671.31805	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16132	0.3
52.68753	0.3
62.03281	0.3
62.10096	0.4
63.66446	0.5
70.06570	2.6
72.08128	2.0
74.33498	0.4
76.81369	0.4
78.38814	0.4
84.08137	0.8
85.02930	0.5
89.54404	0.5
110.05979	1.5
112.11236	0.5
135.04333	0.5
136.07599	0.8
137.05997	0.7
138.09097	0.7
140.07054	0.9
162.57477	0.5
163.03886	2.1
164.07028	0.9
167.07051	0.8
195.10242	5.0
204.10298	0.6
210.11264	1.1
220.09637	0.8
233.09184	6.7
234.07610	0.7
240.12244	0.9
247.13126	0.4
251.10234	6.7
259.07190	2.5
261.08667	0.7
275.10480	0.6
277.08200	100.0
285.07361	0.5
290.11746	0.6
340.04645	0.5
378.18137	0.6
406.17575	2.2
414.16623	4.2
432.17673	56.0
442.19434	0.7
453.18173	0.7
454.18927	0.9
468.18228	0.6
472.20590	0.5
498.18817	0.6
516.19440	0.4
609.28180	0.7
623.26740	0.6
639.28064	0.6
641.30701	1.0
649.55945	0.5
653.28149	18.7
671.29327	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	671.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16009	0.9
63.69373	1.1
76.11223	1.0
78.91961	1.2
84.38522	0.9
110.06080	1.6
112.86858	1.0
117.47840	1.1
125.29884	1.1
136.07556	1.6
140.07072	1.1
182.08131	1.9
187.00188	1.1
192.10310	1.5
233.09212	7.9
249.08757	1.5
251.10222	9.2
259.07263	1.3
261.08759	1.5
263.10156	1.3
277.08203	100.0
310.46042	1.2
362.18671	7.8
378.18115	6.4
380.19745	19.1
382.14172	1.7
382.21173	1.7
390.18219	2.2
391.15298	5.3
396.19388	2.1
404.16156	4.8
406.17630	62.5
420.19727	1.2
422.17075	4.2
424.18689	5.1
426.20163	1.9
432.17740	29.4
442.20050	6.2
450.16827	6.7
452.18127	1.9
468.17764	23.8
495.75641	1.1
498.18747	5.8
506.16577	1.1
541.24445	2.6
543.25958	4.4
549.88873	1.3
559.25739	2.0
561.27319	4.3
605.25989	1.4
623.27203	11.8
639.16748	1.1
641.28040	1.4
653.28192	98.0
671.29218	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04390	0.4
55.68560	0.4
56.18686	0.3
56.94086	0.3
59.05371	0.4
68.23825	0.3
70.06573	0.7
72.08164	0.7
81.65816	0.4
85.02893	0.9
90.70989	0.4
92.18432	0.6
95.04971	0.5
107.04952	2.4
109.02850	0.6
123.04424	0.8
133.06482	0.6
135.08049	0.6
161.05984	2.5
163.03931	0.9
163.07513	3.3
167.07034	100.0
175.07588	0.6
181.08586	2.5
193.08597	9.9
195.10182	2.4
206.37315	0.5
211.09666	9.3
213.11205	6.1
223.09764	0.4
233.08066	0.7
235.09593	0.6
261.08762	0.6
263.10242	0.6
265.29108	0.4
277.10971	0.4
301.10880	0.7
303.12384	1.0
305.11441	0.5
319.11884	1.8
321.13321	2.0
423.12973	0.5
623.27277	0.6
648.11975	0.4
671.29095	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	670.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38719	0.1
58.06610	2.2
67.29459	0.1
69.07076	2.0
70.06574	1.0
72.08159	0.3
73.59629	0.1
81.07072	0.2
84.08147	0.9
85.08925	2.7
86.09719	1.0
88.38217	0.2
96.08128	0.2
99.10472	0.2
100.11262	2.4
112.11275	0.1
114.12808	100.0
133.06583	0.2
157.13365	0.4
167.07034	0.6
175.11229	0.7
179.16884	0.1
224.74178	0.2
232.76511	0.2
359.23145	1.4
384.28592	3.7
490.32764	4.2
508.33817	4.2
539.29944	0.2
614.66089	0.2
670.30005	0.9
670.39093	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	671.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87757	0.3
54.60665	0.3
54.98266	0.3
70.06602	0.4
72.08162	0.4
81.03404	0.5
85.02913	1.8
87.00800	0.8
91.21894	0.3
95.04958	0.3
97.02869	0.5
105.07040	0.6
107.04952	2.9
108.08160	0.3
109.02869	0.7
111.04450	0.5
114.12810	3.5
123.04399	0.5
127.03910	1.4
133.06544	0.8
144.08156	0.5
145.06554	0.5
149.06009	1.3
151.03885	3.3
151.07556	0.6
152.04652	0.6
161.06010	2.3
163.07509	3.2
167.07036	100.0
170.09656	2.3
175.07509	0.4
181.04968	1.9
181.08604	3.3
193.08597	9.7
194.08977	0.4
195.10168	2.8
205.08612	1.5
207.10129	0.5
211.09642	10.7
213.11212	6.8
223.09648	0.5
233.08138	0.5
237.11287	0.4
251.14006	0.6
253.10643	0.4
259.09515	0.5
277.10608	0.4
279.13364	0.8
301.10529	0.4
303.12329	0.7
319.11938	1.5
321.13290	1.4
375.10657	0.5
407.23288	0.4
423.13330	1.4
671.27991	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	670.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98628	0.5
56.05682	0.5
58.97784	0.7
59.70713	0.5
72.08153	1.2
76.47699	0.6
103.05483	1.6
106.14587	0.8
119.31835	0.7
120.08102	100.0
131.04909	2.8
145.02898	1.1
149.06012	1.1
151.29137	0.7
158.33174	0.8
163.03903	38.1
166.08621	43.0
264.62183	0.6
343.10162	5.2
622.42877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91068	0.9
63.63034	1.1
68.93004	1.1
75.56566	1.1
106.23129	1.2
110.06054	2.0
115.42564	1.3
118.82849	1.1
124.13583	1.1
129.10248	1.2
136.07581	1.2
138.09161	9.6
140.07086	1.8
144.08101	4.6
155.95525	1.2
160.07591	10.8
164.10690	2.2
170.09633	16.9
171.10513	2.2
174.09207	2.1
182.08157	1.7
186.09145	27.5
187.09969	2.8
192.10217	5.8
204.10274	1.6
217.09785	6.5
218.14142	1.6
235.10916	6.3
257.13010	2.5
261.08691	55.4
274.09335	1.2
275.10257	35.2
275.13452	2.0
280.00998	1.3
285.12350	1.8
287.10196	12.4
301.11816	56.4
313.08276	1.6
315.10034	2.0
315.13507	6.0
327.09961	5.0
331.09311	1.7
345.10989	6.8
347.12408	16.4
362.18549	2.0
380.19757	7.8
406.17636	43.1
406.22565	1.6
408.19434	6.1
416.18439	5.2
422.21228	1.2
426.14929	1.7
426.20282	8.5
430.19675	4.6
434.16995	7.9
438.20386	5.1
452.18170	73.2
456.21301	5.7
466.19894	28.7
478.60712	1.3
484.20990	4.3
502.22247	1.4
514.21704	1.4
559.34174	1.3
607.19470	1.7
607.27625	62.3
621.28900	9.4
637.28772	13.1
639.30304	78.3
651.30396	2.5
669.31671	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45963	1.6
52.19260	1.6
52.57993	1.6
70.06580	4.3
84.08159	3.5
123.78466	1.9
141.00011	2.0
170.09665	7.3
192.10146	2.8
204.10208	3.4
210.11310	8.7
222.11314	3.0
231.11348	5.0
249.12373	7.8
261.08795	12.1
275.10269	100.0
301.11844	15.5
310.96484	2.3
315.13348	4.5
327.09698	3.8
345.10840	10.8
347.12451	5.0
376.20258	2.6
390.17953	2.2
402.18399	8.6
406.17606	17.5
408.19260	2.3
430.19812	27.0
436.18158	2.8
444.48306	2.3
452.18115	20.9
466.19601	13.1
500.20267	3.3
607.27704	9.3
621.28979	4.2
637.28479	8.6
639.30255	49.5
651.30286	15.4
669.31158	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	669.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89114	1.0
53.77633	1.2
54.00415	1.3
57.84004	1.0
58.13412	1.2
61.39066	1.3
69.07080	1.6
70.06590	2.5
72.08165	2.9
74.90652	1.3
79.78046	1.4
86.09720	2.0
91.79002	1.3
110.06039	1.7
115.29592	1.3
121.02860	3.0
122.09669	6.8
136.07516	2.0
151.07620	1.8
154.08658	1.6
163.03912	2.9
164.07140	2.3
167.07034	1.6
170.09637	2.4
182.08156	2.4
192.08058	1.5
192.10196	3.2
212.98270	1.3
217.09779	2.4
235.10818	6.4
251.10349	2.5
261.08691	54.3
269.09286	2.4
277.08365	6.6
285.08499	9.3
287.10324	8.8
293.35599	1.3
301.11819	1.8
313.08173	21.2
315.13519	16.3
329.11526	2.6
336.63321	1.4
345.10880	25.6
362.18625	1.5
371.09283	8.4
372.09924	34.4
373.10837	2.2
380.19931	7.5
398.16934	1.7
403.11752	22.5
406.17575	43.1
416.18298	9.8
421.09073	18.1
421.13052	20.8
422.21289	2.7
430.16019	3.1
434.17059	1.5
440.21906	5.4
445.84863	1.6
450.16327	1.5
452.17987	4.8
466.19739	100.0
484.20972	7.1
496.21136	2.6
500.20306	7.6
514.21924	3.2
561.27704	1.6
566.13910	1.6
616.12231	1.4
621.28961	15.1
639.30585	4.6
651.30298	83.1
669.31158	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83622	1.9
63.73739	1.9
64.37935	1.9
67.05506	2.4
70.06590	4.2
71.33203	2.4
72.08134	2.1
73.76900	2.2
84.08143	2.5
114.09168	14.1
163.03941	4.1
167.06984	2.5
217.09756	9.4
228.15945	3.1
235.10631	8.4
261.08701	77.6
285.08691	16.5
287.10251	10.4
313.08231	28.8
315.13330	13.1
345.10828	29.7
398.17068	5.4
406.17603	10.5
416.18100	22.4
452.18314	3.1
466.19788	44.4
500.20203	14.3
621.28992	12.7
651.30292	100.0
669.31262	31.9
669.49689	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	669.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87523	1.4
70.06605	2.1
71.27724	1.6
72.08137	1.9
72.10342	1.6
119.04939	2.9
137.05936	2.0
144.08041	2.5
147.04446	1.9
153.05467	2.9
154.04971	6.6
163.03891	6.4
167.07028	7.6
170.09685	9.2
177.05418	2.0
178.04996	7.4
179.07001	2.1
181.08600	2.4
183.80063	1.5
186.07654	1.8
186.09204	9.9
187.09796	2.1
196.06075	2.0
217.09697	26.6
222.11400	2.8
235.10712	13.7
245.09319	8.2
259.10870	1.7
261.08685	82.7
263.10306	9.5
265.08597	2.4
269.09271	7.2
269.65060	1.7
275.13934	2.1
278.05679	2.7
285.08786	3.6
287.10233	12.4
293.08026	15.1
305.11301	15.0
313.08179	19.5
321.07574	13.5
322.08606	2.5
325.10724	9.8
331.09290	26.4
335.08789	2.7
353.10217	14.5
362.18680	3.0
380.19708	2.8
383.11264	2.8
406.17609	23.0
408.19180	3.7
426.19867	1.9
430.16058	43.2
434.16925	2.4
436.19058	12.5
441.20215	10.7
444.21503	4.0
452.18286	7.3
454.16187	3.3
471.21429	7.5
472.22031	8.8
482.14441	2.6
495.85355	2.0
500.16556	19.6
575.25360	7.1
621.26172	4.0
639.26508	4.1
651.26666	100.0
669.27826	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67987	1.3
56.69759	1.3
61.11665	1.6
67.50079	1.4
68.93211	2.1
74.86348	1.5
110.06058	3.3
124.07630	2.7
136.03935	12.6
138.09119	12.1
140.07048	2.8
150.05498	22.2
152.07150	2.7
154.04971	7.2
167.08170	8.2
168.06601	2.3
174.09180	4.0
176.03453	1.9
177.06633	9.3
178.04996	24.3
183.55263	1.5
192.10220	2.7
195.07684	17.7
196.06030	24.0
202.08633	3.4
203.08115	11.8
204.06578	8.6
213.08740	2.3
217.09761	8.7
219.11349	1.7
223.07140	15.9
229.06165	6.5
230.08218	15.3
233.09264	1.9
235.10793	4.2
244.09680	2.3
245.09193	50.1
246.07660	7.5
248.09241	9.5
257.13019	2.5
259.10764	2.9
261.08716	9.1
263.10287	72.5
269.09210	3.0
271.07120	9.0
272.09140	3.7
273.08643	2.0
274.13141	4.0
275.13968	10.3
277.12146	1.8
287.10260	29.9
288.08914	2.2
289.08435	2.7
289.11807	7.7
291.09842	2.5
299.13995	3.0
301.11728	14.5
305.11331	49.2
307.12857	10.2
313.08087	2.8
358.13699	1.6
366.18301	2.2
378.18604	1.8
380.20172	2.2
381.18185	2.3
384.19220	2.8
406.17691	3.3
408.19424	7.4
424.18707	1.9
426.20062	15.2
434.16910	2.5
444.21277	10.7
452.18011	13.4
470.19299	3.9
482.16040	3.3
500.16406	21.6
502.18152	24.5
621.25464	60.2
639.26617	100.0
641.95245	2.0
651.26770	17.6
669.27740	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	669.277
Annotation	Unknow
Peak:m/z	Relative Intensity
78.76740	1.2
79.08240	1.3
82.60247	1.3
83.19385	1.2
108.04478	1.6
110.06027	5.5
110.14986	1.5
122.06010	2.3
124.07538	2.3
136.03937	10.4
138.09177	12.0
140.07057	2.9
150.05524	15.4
154.04964	6.2
158.70024	1.3
164.10655	1.8
167.08177	7.3
167.97450	1.5
168.06494	1.9
174.09151	5.1
177.06595	8.0
178.04997	21.8
192.10115	2.0
195.07698	19.5
196.06049	23.3
202.08723	3.3
203.08177	6.0
204.06601	5.4
204.10199	1.3
213.08615	2.6
217.09811	10.0
223.07108	14.1
229.06180	3.2
229.67917	1.5
230.08101	12.0
235.10750	2.5
241.09630	1.6
242.08267	1.7
244.09726	2.5
245.09221	38.9
246.07661	10.8
247.10739	2.0
248.09225	7.7
249.08720	1.6
257.09210	1.7
257.12787	7.6
259.10757	5.8
261.08621	18.7
263.10251	54.7
269.09155	3.3
271.07187	8.6
272.09146	4.8
275.13977	7.9
285.08817	1.5
287.10254	30.5
289.08304	2.3
289.11713	3.0
291.09650	3.1
299.13980	3.0
301.11774	30.1
305.11301	32.6
307.12930	11.2
313.08362	1.9
315.09821	1.5
317.14697	1.4
333.10437	2.1
363.17172	1.4
364.15787	1.5
366.18304	1.7
380.15839	1.6
381.18207	2.4
384.19376	1.8
406.17743	12.4
408.19318	7.0
412.15024	2.9
424.18588	2.3
426.20383	11.4
430.16281	5.4
434.16925	6.9
444.21124	2.6
452.18109	26.8
470.19049	4.9
482.15582	6.2
500.16571	17.5
502.18170	16.3
575.24390	2.1
603.24689	2.2
605.27374	1.5
621.25616	53.3
639.26648	100.0
651.26721	34.0
669.27692	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.8
58.34735	0.3
66.70392	0.3
70.06573	1.2
93.08294	0.3
120.08122	0.3
136.03931	0.3
138.09135	0.4
144.08092	29.6
145.08864	0.7
150.05484	1.4
154.04959	0.3
158.09625	2.0
160.07576	6.4
167.08202	0.4
170.09644	100.0
171.10420	18.7
172.09979	0.3
178.04967	1.5
186.09151	15.4
186.11534	0.4
187.09914	3.6
187.12317	0.7
192.07649	0.3
195.07626	0.7
196.06102	1.6
201.13892	5.6
202.14653	9.1
217.09764	1.2
217.13301	0.6
218.14185	1.9
223.07050	0.4
230.08150	0.6
235.10699	0.4
245.09242	2.3
246.07619	0.6
257.12866	0.4
259.10837	0.3
261.08627	2.4
263.10257	3.5
269.09326	0.5
271.07196	0.3
275.28479	0.3
275.69031	0.3
287.10275	2.2
301.11914	1.9
305.11151	2.4
313.08362	0.5
331.09305	0.5
380.15881	0.3
406.17731	0.6
408.19461	0.6
426.20346	0.7
430.16144	1.3
452.18149	1.3
472.66403	0.3
500.16766	2.6
502.18115	0.7
621.25592	4.3
639.26428	6.3
651.26349	2.9
669.26660	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	668.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.5
56.14685	1.0
57.03457	2.4
61.02920	1.2
67.05502	6.7
69.03432	8.0
69.07069	7.5
71.04977	4.1
72.08138	1.0
76.72325	1.3
79.05488	4.4
81.03423	5.5
81.07058	16.9
83.08632	5.0
85.02914	22.0
85.06551	100.0
87.00824	7.4
91.26380	1.2
93.07036	5.3
95.08608	25.4
97.02910	10.3
97.10170	5.1
99.04456	4.3
99.08099	9.3
105.01874	5.7
105.07050	1.5
107.08601	7.0
109.02873	6.9
109.10161	29.4
111.11729	1.5
113.09659	2.0
121.10145	9.3
123.11715	28.8
127.03919	15.2
127.11194	5.7
133.10129	1.6
135.11665	9.7
137.13293	2.7
144.08076	4.8
145.04945	2.7
147.11763	1.6
149.13228	11.8
157.76930	1.2
159.02890	4.6
163.14833	1.6
165.16341	1.5
167.14246	1.4
170.09630	14.7
171.10284	11.4
177.16309	1.4
179.17915	1.8
199.12323	4.1
200.12630	2.5
202.14616	6.8
203.14948	2.0
205.19475	8.1
223.20589	9.8
234.90125	1.0
241.21620	96.7
270.56036	1.1
277.21661	1.8
283.47424	1.2
296.62357	1.2
382.13074	1.3
385.25565	1.3
409.25888	1.7
435.23975	2.1
453.24469	2.0
471.25790	1.5
489.27362	1.6
650.28015	1.4
668.36292	16.0
693.14752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24324	0.9
53.03950	1.4
55.01864	4.9
55.02108	1.0
57.03448	4.2
61.02921	4.9
69.03437	24.9
70.06587	1.3
71.04982	2.5
72.08198	1.3
73.02927	4.6
73.89372	1.0
81.03424	16.5
83.04972	2.7
85.02915	100.0
87.00838	24.1
87.04436	1.6
93.07081	1.3
95.04993	2.1
95.08599	1.8
97.02905	31.5
99.04453	11.4
105.01876	38.9
107.08604	1.2
109.02888	30.3
109.06522	4.3
109.10129	1.0
119.08556	1.3
121.10144	2.6
123.08070	45.5
127.03920	62.6
129.01845	2.1
133.10101	4.2
135.08049	1.6
135.11694	2.3
137.09644	28.5
145.04971	23.2
147.02896	2.0
148.32977	1.2
149.09631	1.5
151.03886	2.1
151.11125	2.1
159.02919	12.6
159.11754	9.5
161.09663	8.0
163.05974	1.7
163.11192	7.5
165.09085	8.2
167.10522	1.5
177.12726	7.0
179.10699	21.9
181.12236	7.2
187.11229	2.1
197.11722	6.2
205.12259	13.8
213.03966	5.2
223.13283	34.4
231.05023	16.2
239.12839	1.9
241.14348	56.1
249.06111	10.0
271.08206	1.8
325.11365	6.5
344.92014	1.3
375.09259	1.3
393.10303	5.1
411.11221	2.0
432.56290	1.2
453.17755	1.8
471.18481	13.6
489.19571	23.8
525.64160	1.2
668.27344	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	668.187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01149	2.3
63.04912	0.5
70.06603	3.7
72.08150	2.1
75.02721	0.7
77.25502	0.5
84.08112	0.9
86.06053	0.9
97.02898	2.4
123.04417	0.9
136.06194	100.0
138.92128	0.5
145.03116	1.1
147.04437	0.9
163.03979	3.9
165.05463	0.7
220.09721	0.8
222.05130	0.5
222.11238	0.9
232.23528	0.6
295.13074	0.9
296.13525	0.6
298.09711	33.0
347.78549	0.6
372.11600	0.5
470.75357	0.6
668.24506	0.7
668.32312	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	667.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03333	1.1
63.42229	1.3
95.08593	2.2
103.52267	1.2
121.10126	1.5
123.08057	1.5
145.03061	1.4
156.06758	1.4
164.10693	2.5
170.09625	2.4
176.10701	5.9
188.10745	1.4
194.11813	5.9
204.10223	2.4
206.11682	4.9
208.91133	1.6
210.11317	7.7
222.11229	1.9
230.41832	1.4
261.08768	5.8
265.11615	1.7
267.98322	1.4
273.08725	1.6
275.06653	12.1
276.07434	14.6
277.08197	6.6
289.08212	24.5
290.09085	6.1
291.09760	100.0
303.09708	1.7
333.85376	1.5
345.10727	2.3
390.18347	1.7
406.17603	15.8
428.18146	20.8
468.17426	3.0
482.19537	1.7
500.20279	9.3
530.21405	1.7
619.26392	1.9
635.27063	2.7
637.28705	44.0
649.29181	12.7
667.29596	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75777	0.3
62.33288	0.4
67.05502	0.4
79.05479	0.6
79.18335	0.3
86.03279	0.4
91.05473	0.9
93.07023	2.4
94.07395	0.4
95.08598	0.7
97.91042	0.4
105.01932	0.5
105.07017	2.0
107.04971	0.7
107.08586	0.5
108.76250	0.4
109.10143	1.9
119.04955	0.9
119.08533	0.4
121.06496	0.4
121.10144	0.6
122.09669	0.5
127.03892	0.5
135.11679	0.9
147.04413	1.8
147.11681	0.9
149.05968	0.9
161.06075	0.7
167.07040	100.0
170.28853	0.4
175.03963	6.2
181.08566	0.7
188.61227	0.4
192.04236	0.5
193.08623	3.8
203.17953	1.9
204.18356	0.8
207.06535	10.7
211.09642	12.3
233.12875	1.6
318.75919	0.4
591.45227	0.5
667.28558	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	667.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47231	1.8
75.11098	1.8
81.73375	1.9
144.08055	2.2
165.58173	2.0
166.44778	2.0
170.09537	2.6
181.04985	9.9
186.09099	6.9
233.09648	2.5
241.08516	4.1
260.08325	3.3
261.09027	9.2
274.06406	3.7
286.08490	2.9
288.07825	11.7
289.08554	9.2
290.09647	2.9
291.06625	3.5
291.10065	2.2
293.11646	3.1
305.08020	3.1
306.08914	10.1
307.09579	9.9
316.07404	2.8
317.08057	4.1
318.08755	2.5
320.10449	4.0
321.11285	9.7
323.09262	7.4
324.10214	2.3
329.10260	7.6
334.08310	8.3
335.09143	9.9
338.11560	8.5
348.10123	2.0
349.10669	24.4
350.11365	4.6
351.08490	2.6
351.12195	3.6
381.13303	33.8
441.15454	100.0
601.26263	2.6
667.27655	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	667.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18872	0.9
58.19126	1.0
64.15167	1.0
65.03928	1.3
69.03372	1.2
108.75861	1.3
167.06972	2.4
178.87340	1.1
181.04900	14.4
200.64009	1.2
218.07227	1.5
225.07626	1.7
231.08011	1.2
233.09660	2.6
241.08604	8.3
246.06866	4.9
247.07574	5.0
248.08293	2.4
250.10002	1.8
259.07532	1.7
260.08359	5.5
261.09088	9.3
262.09930	1.4
263.06885	4.5
269.08127	1.7
272.82166	1.3
274.06284	7.0
275.07004	2.0
276.07761	1.6
277.08600	4.9
278.09387	7.5
279.10229	2.6
286.08401	2.5
288.07843	12.5
289.08597	8.2
290.09238	5.9
291.06485	6.0
291.10104	6.8
293.08099	1.6
293.11661	2.8
295.09732	1.2
295.34973	1.3
300.09793	1.1
305.08121	7.3
306.08975	9.5
307.09567	12.1
316.07239	6.3
317.08093	9.3
318.08862	4.8
319.06171	2.2
319.09714	7.5
320.10489	7.9
321.07922	1.7
321.11273	11.1
323.09015	9.4
323.12573	1.5
325.10907	1.6
327.08542	1.4
329.10226	7.2
330.10892	3.1
334.08286	10.2
335.09235	10.8
336.09515	1.7
337.10794	2.0
338.11438	7.4
348.09879	4.9
349.10721	25.4
350.11508	8.4
351.08557	5.2
351.12509	3.8
353.13702	2.6
366.11029	5.7
367.11746	5.0
381.13354	47.6
399.14258	6.0
425.16772	1.4
441.15451	100.0
444.82217	1.3
607.21362	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	666.4351
Annotation	PAz-PC
Peak:m/z	Relative Intensity
51.07321	1.1
54.13358	1.1
58.68621	1.2
59.45415	1.2
60.08176	5.2
71.85212	1.1
86.09715	20.3
92.18456	3.0
125.00011	12.4
156.41035	1.3
166.23320	1.2
184.07349	100.0
213.07242	1.4
245.30417	1.4
348.90891	1.3
666.43311	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	666.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62383	9.8
55.22649	8.5
67.05508	24.6
77.97926	10.7
79.05486	45.3
81.07057	51.8
85.02898	22.3
88.16286	9.6
90.82684	10.4
91.03957	21.7
91.05454	10.6
93.07059	54.1
94.64854	9.8
95.08605	39.3
97.66508	8.9
105.06986	9.7
107.08600	23.0
110.10468	9.9
121.10147	56.3
127.82212	12.4
131.08578	17.5
133.10165	19.2
135.11678	39.7
137.89748	9.4
149.13245	20.7
156.07249	11.6
159.11697	19.0
209.14456	10.7
215.17982	61.6
233.18991	98.9
293.76196	9.4
307.22974	10.5
325.23764	100.0
332.55927	10.8
671.86316	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	666.37
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57692	2.5
54.47205	2.6
56.91034	2.4
57.03449	4.7
61.02945	19.8
67.05508	32.2
69.07061	5.5
71.04966	3.1
73.02908	5.1
79.05489	25.5
81.07069	54.6
85.02921	38.0
91.03947	31.7
91.05483	15.6
93.07058	42.6
95.08611	33.6
97.02906	11.6
105.07056	13.6
107.08577	28.5
109.10184	22.4
114.51684	2.6
117.07061	4.2
119.08598	15.0
121.10138	47.2
123.11723	17.9
123.77003	3.0
127.03944	5.6
131.08568	17.0
133.10135	16.7
135.11697	54.8
145.04958	14.2
145.10127	17.3
147.11678	11.5
149.13264	33.5
151.11209	4.3
159.11673	23.6
161.13219	3.0
163.06058	14.5
163.11147	3.1
163.44185	2.6
173.13275	23.1
187.14839	4.0
205.19562	4.5
215.17937	50.3
229.21518	3.0
233.18997	87.6
307.22797	32.0
325.23721	100.0
379.31610	3.0
469.27951	16.9
522.23169	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	666.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.1
55.01860	1.4
55.05518	8.2
55.84692	1.1
67.05510	18.6
68.65863	1.2
68.95531	1.3
69.03435	5.3
69.07069	14.2
72.70767	1.1
75.36225	1.1
79.05504	10.4
81.03426	5.4
81.07066	40.4
83.08618	8.4
85.02917	19.0
85.06549	10.1
87.00826	7.2
91.05489	16.7
92.17782	2.4
93.06455	2.2
93.07050	59.6
95.04986	3.0
95.08612	43.0
97.02895	7.4
97.10170	2.1
105.01871	10.6
105.07040	45.4
107.08601	40.1
109.02876	9.1
109.10163	65.6
111.08099	7.4
119.08591	46.3
120.94818	1.2
121.10142	44.9
123.11709	13.1
127.03948	12.9
133.10136	29.6
135.11702	39.0
144.73271	1.5
145.04999	4.9
145.10094	1.6
147.11694	65.4
149.13353	1.6
159.02890	1.9
161.13257	21.3
165.12724	2.5
165.99190	1.2
175.14857	7.7
203.17969	100.0
221.18898	11.6
231.05061	2.1
235.72244	1.5
249.05951	2.6
328.47711	1.5
415.20905	2.4
440.85989	1.4
451.23108	2.1
469.24637	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92304	0.4
54.18831	0.4
55.21137	0.4
55.72440	0.3
56.20483	0.3
58.06586	0.6
60.72966	0.4
60.73299	0.3
67.55771	0.4
68.77215	0.3
70.06561	0.9
72.08096	0.3
105.38526	0.4
141.40219	0.4
160.07565	30.0
161.08362	0.7
170.09605	0.8
174.09161	1.5
177.92651	0.3
186.09135	100.0
187.09920	50.1
200.92168	0.4
217.13405	4.4
218.14131	62.7
272.66663	0.4
290.29697	0.4
380.19382	0.6
390.92514	0.4
498.90247	0.5
503.26764	0.6
604.20087	0.4
665.31775	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95686	0.3
55.96878	0.3
58.06596	0.8
69.09364	0.3
79.16803	0.3
79.17250	0.4
106.87824	0.3
131.04903	2.6
138.20639	0.3
160.07571	35.3
161.08296	1.5
163.26541	0.4
170.09641	1.6
174.09126	2.3
186.09145	100.0
187.09918	26.6
202.11006	0.7
203.11757	0.6
217.13336	7.7
218.14128	12.5
230.37247	0.4
232.15680	0.6
248.52702	0.4
276.59915	0.4
301.51807	0.4
317.18613	1.6
363.68805	0.4
543.69513	0.4
612.02637	0.5
645.96393	0.4
664.54486	0.4
665.33331	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.283
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06609	1.2
86.09711	1.0
94.06550	7.4
122.06036	38.2
124.07602	0.9
138.09154	56.6
149.03094	0.9
156.06573	1.1
168.35423	0.8
171.09242	1.0
174.05463	0.8
184.06044	7.3
204.06587	1.5
213.10275	0.9
214.11917	0.9
222.07657	0.9
228.08812	0.8
242.61542	0.8
253.09712	7.7
254.10422	1.3
255.11293	4.3
256.11856	0.9
259.14359	1.2
265.09683	3.6
266.08118	1.2
280.08554	5.0
281.09219	100.0
282.10126	6.5
283.10779	6.1
293.09241	1.6
299.10416	1.7
300.07938	1.5
300.11105	28.9
301.11826	3.2
302.12933	0.9
309.08694	4.2
310.06912	1.2
311.10153	10.5
312.08615	7.3
313.11859	3.0
317.11316	1.7
318.12085	4.2
327.09723	5.4
328.10626	9.1
329.11292	20.3
337.08340	1.2
339.09680	1.1
355.09250	33.8
356.09998	4.2
357.10803	28.5
360.13162	8.6
367.12680	0.8
370.09186	6.7
373.10220	1.6
375.11911	3.1
387.11871	15.3
388.12637	18.2
389.13489	6.7
405.12943	62.4
608.68622	0.9
615.24603	41.8
619.27716	1.6
633.25745	3.5
647.27161	47.4
665.28137	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	665.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34430	1.8
68.08785	2.0
69.07076	3.0
70.06586	12.4
72.08173	4.6
73.02903	2.5
85.02935	1.9
98.01001	1.9
105.07053	2.8
118.38743	1.9
122.06045	13.5
124.07478	2.1
130.05013	2.9
138.09131	14.3
163.03897	10.0
184.06096	8.9
204.06583	4.0
220.09740	2.8
253.09674	7.5
280.08575	2.1
281.09235	96.7
283.10651	2.7
300.11133	10.1
311.10309	4.2
312.08759	4.5
317.10944	2.0
318.11908	2.8
319.07303	2.1
325.50748	2.0
327.09781	2.3
329.11511	3.9
344.71899	2.1
355.09302	19.6
357.10876	4.5
370.09644	2.5
387.11932	10.1
405.12936	100.0
417.29825	2.3
560.71649	2.2
615.24261	3.2
628.11243	2.2
647.27124	14.1
665.27228	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84338	0.7
67.05501	0.7
68.08057	0.7
68.08494	0.8
94.06569	9.8
103.60771	0.7
121.10223	0.9
122.06033	42.4
138.09149	51.0
138.44630	0.7
156.06516	1.1
182.04468	1.2
184.06001	6.1
204.06631	1.3
213.10271	0.9
222.07594	1.5
227.08246	0.8
241.09735	1.4
241.92189	0.8
244.30118	1.0
253.09770	10.1
254.10397	1.3
255.11288	3.7
259.14432	1.8
265.09732	4.6
266.08136	1.2
267.07648	0.8
267.11313	1.2
280.08356	5.9
281.09210	100.0
282.09970	7.1
283.10803	6.6
293.09271	1.7
299.10123	1.0
300.11099	16.3
301.11752	1.2
302.12555	1.1
309.08481	5.3
311.10291	8.8
312.08551	5.9
313.11969	3.5
317.11340	0.8
318.12195	3.1
319.07095	0.7
327.09726	6.9
328.10583	4.6
329.11298	11.5
337.08209	1.7
355.09241	33.3
356.10037	6.2
357.10767	31.4
360.13492	5.4
370.09189	4.6
373.10294	3.2
375.11908	1.4
387.11844	14.7
388.12720	9.8
389.13351	5.1
405.12943	65.0
478.16125	1.0
597.23212	1.4
615.24445	41.5
633.25165	1.6
647.17029	1.5
647.27124	36.5
665.27771	9.5
665.37494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75070	1.6
55.10176	1.9
63.11032	1.9
72.08174	2.6
79.05497	1.9
81.07053	1.9
93.07054	3.5
94.06596	15.6
95.08614	2.6
105.07009	2.9
107.08588	3.4
109.10157	3.6
120.08067	2.5
121.10178	3.0
122.06036	63.5
122.09682	2.2
132.03737	2.0
138.09154	95.7
149.09677	2.8
174.05568	2.5
184.06012	3.7
200.05536	2.8
202.16855	2.5
220.17760	3.3
233.12889	2.9
241.09763	15.0
251.03064	1.9
253.09752	8.7
255.11328	4.1
259.14453	3.0
265.09604	2.8
265.56000	2.5
266.08121	9.1
269.09326	4.3
280.08475	8.8
281.09210	95.0
282.10016	5.0
283.10709	20.1
300.11099	16.9
301.11890	10.6
309.08633	3.2
311.06931	2.0
311.10172	16.2
312.08661	4.9
317.11224	2.2
318.12167	2.2
327.09814	11.6
328.10464	3.2
329.11383	15.2
337.08649	2.7
340.29590	2.0
345.10724	2.8
355.09222	47.3
356.10129	3.3
357.10834	53.0
360.13190	3.5
373.10147	18.9
375.12079	2.5
387.11844	18.0
388.12717	9.4
389.13593	4.5
399.22894	3.8
405.12952	100.0
615.24469	60.5
633.25403	4.0
647.27271	43.9
665.27277	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	3.0
59.07378	1.2
59.69757	0.5
60.08178	4.2
70.06566	0.6
72.08145	0.6
85.02896	0.7
93.07020	0.8
94.06554	1.3
95.04931	0.7
95.56525	0.5
96.09135	0.6
105.07044	0.7
106.90770	0.5
109.10150	0.8
119.07286	0.5
120.08092	3.1
121.08474	0.9
121.10151	0.8
122.06030	11.2
122.16822	0.5
125.09498	0.5
131.04929	2.2
138.09145	11.5
143.26967	0.6
144.08078	0.6
145.10138	0.5
146.06032	0.9
147.06323	0.7
156.06540	1.2
170.09685	1.3
179.06859	0.5
182.04501	2.1
184.06047	6.7
204.06577	6.5
206.08083	0.8
222.07674	0.8
241.09787	0.9
249.11305	0.7
253.09700	9.2
254.10413	0.7
255.07562	0.8
255.11308	0.6
265.09674	0.9
266.08157	1.3
267.07617	0.9
269.60229	0.6
280.08368	6.4
281.09207	100.0
282.10010	1.3
283.10968	4.0
293.09241	2.2
299.10220	0.7
300.08960	1.2
300.11310	7.6
301.12100	0.7
309.08643	3.2
310.07010	1.0
311.10303	7.6
312.08560	5.8
313.08325	0.7
317.11398	0.9
318.11963	2.6
327.09689	3.7
328.10593	3.5
329.11270	6.6
337.08469	0.6
339.09753	0.7
345.10904	1.2
355.09256	23.6
357.10675	5.8
360.13263	2.1
370.09103	6.0
373.10303	2.2
387.11786	10.2
388.12704	3.6
389.13599	0.7
405.12930	77.9
427.42899	0.5
523.37561	0.6
615.24585	7.2
633.24890	1.0
647.26935	11.3
665.31628	16.0
683.38647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07469	0.8
84.05634	59.4
85.06434	1.0
93.18130	0.8
95.08600	1.1
100.40714	0.8
110.07165	4.8
139.98705	1.3
151.53221	0.8
163.98764	1.8
178.13408	5.6
180.15013	1.0
203.01257	1.6
224.13931	100.0
224.62848	1.0
242.07034	1.2
242.15009	67.9
263.03815	3.4
286.06085	30.6
291.07077	6.1
304.07227	14.2
320.67169	1.1
403.12186	1.4
420.12531	9.6
421.13214	6.3
518.87598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91819	6.0
52.50808	4.6
53.57714	5.0
57.07089	63.6
57.60518	4.9
61.11692	5.0
62.18771	5.2
62.59246	5.6
75.59250	5.8
87.04471	13.5
89.06039	85.2
96.80020	5.4
98.47039	6.3
121.06503	13.7
131.05057	7.4
131.66576	6.0
133.08632	26.6
147.08028	11.5
149.09621	8.4
165.09242	6.0
168.31764	6.2
171.56586	5.7
181.49905	5.8
215.41180	5.5
233.19040	26.0
277.21597	8.3
278.00925	5.9
408.00262	5.7
535.31152	8.1
647.43970	42.1
664.46667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29791	1.0
59.05010	100.0
65.83850	1.0
71.05006	1.3
73.02910	4.9
73.04760	5.0
73.06565	1.4
86.09686	1.4
89.06030	4.9
89.29443	1.2
91.05804	6.4
95.01646	2.9
103.07589	61.1
115.07516	1.4
139.00484	1.3
147.04726	8.2
147.10149	10.1
163.06245	1.5
167.05617	1.8
169.03430	1.9
176.01721	1.3
181.07147	5.5
184.07339	9.0
207.08705	1.9
211.08125	1.2
221.08502	9.8
239.09486	28.6
251.11305	1.5
307.14221	1.4
664.39288	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06577	9.0
59.07391	7.4
66.39419	7.2
85.02903	9.1
91.05551	7.6
92.18468	13.4
93.23319	7.3
101.15172	7.6
103.02337	9.5
115.64225	7.6
125.06028	7.2
133.10162	9.5
151.03606	7.1
151.08893	7.5
156.75461	7.9
171.11725	8.1
176.60796	8.7
185.13301	34.6
199.14818	14.1
294.78342	8.8
305.22528	10.9
324.66742	8.7
369.24323	15.4
422.56741	7.7
586.27802	17.2
646.30078	13.8
664.31512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
55.05519	1.9
57.03435	1.0
57.07069	1.3
60.54819	0.9
61.02919	1.5
67.05514	11.4
69.03443	11.6
69.07081	12.9
70.84248	1.0
73.02908	1.9
79.05508	9.1
81.03427	8.9
81.07067	71.1
82.51488	1.0
83.08626	2.5
85.02913	89.9
87.00821	13.1
91.05473	4.0
93.07051	35.5
95.04951	1.5
95.08053	1.8
95.08613	38.0
97.02895	15.7
97.06528	1.1
97.10168	2.1
99.04455	7.4
103.03941	4.7
105.01875	29.8
105.07035	2.5
107.08597	26.1
109.02872	14.6
109.10160	28.3
111.11707	1.2
113.02387	1.4
121.10149	100.0
123.11706	10.4
127.03922	39.1
135.11691	18.5
137.13310	4.0
141.01849	11.7
145.04958	10.4
147.02966	1.5
147.11705	1.1
149.13269	33.8
150.98331	0.9
151.03922	1.1
159.02893	6.7
163.03929	1.3
163.14796	1.4
189.03973	4.2
192.71811	1.1
205.19531	43.5
212.03082	1.1
213.03996	2.0
222.22224	4.8
231.04991	19.5
249.06009	13.2
261.06012	7.6
273.06107	4.6
285.06189	1.5
303.07019	2.4
371.06314	1.3
389.07184	9.2
407.08405	12.3
425.09195	4.4
460.12857	7.6
664.35022	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	664.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	2.8
70.06599	19.5
72.08175	3.9
84.08146	11.2
86.09727	0.5
87.09234	6.6
97.77428	0.4
98.09684	4.3
101.10780	1.8
110.09669	2.0
112.07641	2.1
112.11234	0.7
113.07143	2.5
113.08347	0.6
114.09151	0.8
118.05558	0.4
127.03947	0.5
127.14059	0.5
129.10269	0.6
143.11778	0.8
145.02855	0.8
153.05453	3.7
155.11752	0.7
161.34808	0.4
163.03908	29.5
178.30573	0.5
180.06572	0.8
184.14484	0.7
194.03583	0.4
206.08144	0.7
219.08955	2.5
220.09695	49.3
222.11247	1.9
234.11247	0.6
234.91132	0.4
249.12355	7.4
250.10835	2.2
266.13901	4.6
282.15906	0.5
295.16608	6.4
305.15009	2.4
307.16461	0.9
309.18118	4.0
321.18106	2.1
324.19199	8.3
339.21713	0.7
425.82797	0.5
468.20981	0.6
469.19412	0.6
472.28693	0.5
486.22397	7.0
500.24313	0.7
501.24719	100.0
613.73779	0.5
664.28217	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	663.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54592	0.2
71.20832	0.3
72.08159	12.1
81.51897	0.3
85.02905	4.3
89.03900	0.3
89.10279	0.5
89.10797	8.9
97.02875	1.2
97.29288	0.3
98.06052	0.6
114.10294	0.4
115.08675	1.6
127.03889	1.6
135.04427	1.4
144.13155	0.3
145.02838	3.2
145.04973	2.3
163.03896	100.0
167.30534	0.4
202.96771	0.3
226.70967	0.3
234.11227	4.9
251.13884	18.9
277.68970	0.4
312.38733	0.3
413.19171	38.8
663.25000	2.2
663.34979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17886	0.7
64.09652	0.8
66.05232	0.8
67.05512	10.1
68.94028	0.8
79.05486	2.3
81.07071	1.0
82.06584	1.2
86.09692	1.1
93.07046	4.7
95.08604	1.4
106.33621	0.9
107.08610	7.1
109.10182	13.1
110.09660	1.8
117.07058	1.6
123.08083	1.4
124.11263	10.1
133.44016	1.0
134.08707	1.1
134.09630	8.4
135.08051	15.0
147.72244	0.9
152.10709	100.0
153.09082	2.2
170.11758	97.3
180.10199	3.4
198.11255	33.8
216.12317	84.8
243.21831	1.0
324.54529	1.0
400.78729	1.1
536.31573	1.0
623.77954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94983	0.7
57.48684	0.7
58.06364	1.0
58.06612	20.8
59.07393	12.3
59.56045	0.8
60.08175	30.4
61.12992	0.8
69.73113	0.8
72.08149	0.9
91.05472	6.2
103.05498	2.0
105.07011	1.2
107.04977	1.0
116.05019	0.9
118.06528	3.2
119.07327	6.2
120.08114	28.8
126.71347	0.9
130.06543	3.5
131.04941	21.0
132.08070	1.1
136.07565	9.8
145.05247	6.1
146.06006	12.5
148.11258	2.1
162.05484	4.5
165.05524	0.9
169.10153	1.4
193.08667	1.1
197.09625	1.0
207.14999	1.0
208.11180	1.1
209.08066	1.2
220.11217	1.2
222.12888	1.6
224.10825	2.2
230.82541	1.2
236.10666	3.6
238.12227	1.1
248.10677	1.7
249.11528	1.4
263.11816	1.2
264.10031	0.9
270.11298	6.8
276.10284	1.5
308.62198	0.9
309.12405	5.4
309.19531	1.8
604.24731	2.2
663.31769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29210	2.6
58.06612	26.3
59.07379	13.1
59.72221	2.7
60.08184	30.9
61.02374	2.3
67.94843	2.9
71.51410	2.8
78.25610	2.8
91.05482	5.0
92.18009	5.1
103.05468	4.6
105.07059	4.1
115.38712	3.4
119.07302	4.5
120.08110	32.5
131.04921	25.8
136.07590	5.1
145.05179	5.2
146.06006	15.3
177.05519	3.2
248.10812	4.9
309.12592	3.9
364.07672	3.4
510.47321	3.2
517.54242	3.4
604.24072	2.8
663.31903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32151	0.6
57.21657	0.7
57.68208	0.8
58.06609	24.9
59.07392	17.2
60.07870	1.2
60.08170	35.7
61.99804	0.8
62.05183	0.8
86.99461	0.7
91.05486	7.0
103.05479	7.5
105.07075	1.2
107.05009	0.8
115.05525	0.9
118.06546	4.7
119.07332	8.0
120.08105	35.9
125.10158	0.8
130.06517	5.2
131.04019	1.6
131.04932	26.7
136.07587	8.5
141.06955	0.8
144.08102	0.9
145.05232	6.2
146.06012	22.5
148.07582	1.8
148.11237	3.4
162.05528	3.3
165.05472	1.2
169.10190	1.2
181.10309	0.9
182.08148	1.2
191.08372	1.0
193.10339	0.9
197.09628	1.2
207.08049	1.7
208.11296	1.4
211.07719	0.9
220.11159	1.9
222.12857	5.0
224.10768	4.3
228.10051	1.4
236.10754	4.9
238.12314	2.9
248.10721	4.3
249.11592	1.7
263.11887	1.0
264.10135	1.1
270.11124	6.3
276.10297	3.1
281.12720	1.3
282.11459	0.9
309.12234	7.4
312.32214	0.8
383.17746	1.3
426.18201	1.0
604.24597	4.9
635.31079	1.0
663.31805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09775	3.0
58.06596	21.8
59.07382	20.7
59.90852	3.1
60.08173	36.0
63.06116	3.6
88.21753	3.4
88.24914	4.2
98.30038	3.7
99.06572	3.7
119.07291	6.8
120.08100	31.2
131.04930	27.0
136.07545	4.2
140.15176	4.1
146.06020	17.1
219.37250	4.0
241.59579	4.0
663.31616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06109	0.7
85.79234	1.1
99.82674	0.8
114.89997	0.9
150.42686	0.9
157.02075	0.9
164.93526	2.0
217.74461	0.8
219.03452	1.4
222.60368	1.2
245.05060	1.6
294.65683	1.1
320.97742	100.0
483.11853	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2269
Annotation	BK 223A
Peak:m/z	Relative Intensity
58.34048	0.6
70.06590	1.6
72.08143	3.0
79.01602	0.7
81.01955	0.7
82.00349	0.7
93.02347	0.7
98.33279	0.7
101.47330	0.7
105.07021	0.8
112.11243	0.7
127.00047	1.2
131.04898	1.2
137.05945	0.6
141.05249	2.5
153.01563	1.4
163.03894	3.8
165.09145	0.7
174.29221	0.7
177.05510	0.8
181.04707	0.8
185.04225	1.4
185.05772	1.6
189.05173	1.5
199.05803	0.9
219.06290	4.7
220.09779	1.4
222.11264	0.9
227.05269	3.8
232.96498	0.8
234.08638	42.3
234.11012	1.7
235.09512	1.2
243.04767	1.4
245.06499	0.8
247.09494	0.9
253.03152	1.3
271.04248	6.6
365.11993	1.2
405.52838	0.7
407.13132	1.5
435.20587	1.3
443.16620	1.5
464.15240	0.8
494.43253	0.8
577.22473	1.3
619.23669	5.5
663.22424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25827	0.1
51.91776	0.2
58.06607	2.1
64.93967	0.2
69.07076	2.4
70.06594	1.0
71.07401	0.2
72.08149	0.4
84.08144	1.1
84.47585	0.2
85.08933	2.9
86.09716	0.5
90.05019	0.2
92.17878	0.2
94.36445	0.2
114.12814	100.0
130.04691	0.2
142.16197	0.2
179.74039	0.2
314.70181	0.2
338.71762	0.2
444.21478	0.2
617.32166	0.4
662.37659	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	662.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.5
57.03436	1.0
59.30751	0.8
61.02942	1.1
67.05506	8.6
68.93353	0.9
69.03446	6.5
69.07074	3.5
69.27080	0.8
71.04996	1.3
73.02901	1.0
79.05497	5.3
81.03423	4.8
81.07069	24.3
83.08640	1.7
85.02913	48.1
87.00844	8.0
91.05482	9.9
93.07039	15.2
95.01335	1.0
95.08614	23.8
97.02886	8.8
97.06532	1.0
99.04468	1.6
103.03970	0.9
105.01884	11.2
105.07045	29.7
107.08602	19.7
109.02864	7.1
109.10172	25.7
113.02408	1.2
117.38670	0.9
119.08581	26.4
121.10143	13.9
123.11719	5.1
127.03925	17.7
129.01881	1.3
133.10133	17.0
135.11726	1.7
136.06204	1.4
141.01822	6.2
145.04979	4.6
145.10114	2.2
147.11697	61.3
147.51306	1.0
159.02850	2.1
161.13272	10.3
175.14845	1.9
176.56625	0.8
202.96243	0.9
203.17969	100.0
213.03908	1.4
229.18565	1.1
231.05008	5.3
244.98903	1.0
249.06084	5.5
261.06201	1.1
273.05988	1.4
303.07123	1.4
334.17511	0.8
389.07019	2.2
407.07932	4.0
425.09341	1.6
460.12741	1.3
505.38000	1.0
662.32245	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	661.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53732	9.9
50.78366	7.8
57.03444	21.9
61.02929	66.9
67.05508	54.6
69.03433	66.1
69.07066	12.1
73.02921	18.2
79.05513	11.1
81.03419	19.0
81.07063	59.7
85.02916	100.0
91.03961	50.8
95.08591	65.1
97.02895	70.6
99.04485	14.2
105.07041	11.9
109.10196	12.0
119.08636	11.7
121.10181	11.2
121.93176	10.2
127.03893	52.6
135.11681	14.6
149.13342	10.0
167.72688	11.6
174.81433	11.8
183.06642	12.1
204.68704	11.2
263.23727	13.0
277.69681	10.4
316.25211	11.1
337.27368	82.2
481.31595	42.2
661.37384	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75186	0.1
58.06614	2.3
69.07069	1.5
70.06595	0.9
72.08153	0.6
72.48982	0.1
84.08163	1.2
85.08932	2.3
86.09716	0.8
93.19414	0.1
99.55060	0.1
114.12812	100.0
207.80824	0.1
225.02209	0.1
231.98401	0.2
389.54489	0.1
529.34033	0.5
616.33545	0.3
661.39258	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	661.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91756	0.7
66.20091	0.7
86.05525	0.9
90.28681	0.7
90.90668	0.7
95.04945	1.5
99.16481	0.7
107.04976	10.9
122.40884	0.8
127.30759	0.7
135.08061	100.0
161.09648	1.3
170.50331	0.8
173.09650	4.9
191.10692	0.9
209.11743	21.7
325.17920	1.7
424.58719	0.9
443.93417	0.8
475.93765	0.7
476.01999	0.9
493.25891	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92668	0.2
76.12115	0.2
81.03402	0.2
85.02916	2.5
86.24137	0.2
91.05466	0.3
93.07046	0.5
97.02905	0.6
103.05495	2.6
107.04959	1.0
108.49517	0.3
111.04451	1.4
120.08108	100.0
127.03889	0.5
131.04956	3.9
139.03911	6.5
145.04987	0.5
149.06013	2.7
163.03912	0.3
166.08635	46.9
171.06519	8.3
181.08348	0.3
207.06499	0.5
237.07471	0.3
279.08582	0.3
297.09769	1.9
302.46442	0.2
314.76886	0.3
490.19415	0.3
495.01385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89997	0.7
65.73777	0.7
75.28532	0.8
79.04781	0.7
81.24619	0.7
90.20190	1.0
93.54337	0.9
160.07376	0.9
167.07042	1.2
170.09610	1.0
185.04276	1.1
194.25714	0.9
198.07506	0.8
211.04474	1.1
240.82617	0.8
318.08411	1.0
337.10602	1.0
394.13712	0.9
395.14471	1.2
413.15787	3.2
439.14032	1.1
455.16888	4.9
557.20453	1.5
575.21271	1.1
617.22046	19.6
661.20978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	24.9
61.02928	100.0
67.05490	40.8
68.36577	21.7
74.71998	22.9
79.13856	23.7
81.07062	61.5
85.02891	50.3
91.03977	28.3
95.08622	41.6
97.02882	55.9
107.08601	40.6
123.27421	24.6
203.61722	25.3
211.37360	24.7
335.25900	45.4
339.35883	26.2
380.27881	25.2
659.35657	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	659.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92300	0.4
55.90519	0.4
63.70728	0.4
72.08154	0.6
72.72457	0.5
89.04054	0.5
91.36639	0.5
106.10867	0.5
114.69556	0.5
117.42148	0.5
137.05975	0.8
144.97615	0.5
146.85425	0.5
160.07588	36.6
161.08340	0.5
170.09679	1.2
181.04919	1.0
186.09157	100.0
187.09941	29.2
202.10947	0.5
217.13376	4.3
218.14157	21.2
317.18634	6.6
348.27264	0.6
659.33307	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	4.9
56.88883	3.8
57.03448	17.3
61.02941	63.8
67.05498	30.0
67.72548	4.7
69.03428	27.2
69.62221	3.8
71.04993	6.8
73.02922	26.2
73.21960	3.8
79.05490	19.7
81.03416	24.2
81.07085	37.9
83.04992	6.8
85.02911	100.0
91.03959	43.7
91.05509	6.6
93.07040	24.5
95.08598	29.0
97.02894	77.5
101.02387	6.2
103.03915	7.3
105.07052	6.2
107.08611	18.0
109.02884	5.1
109.10152	9.6
110.71183	4.2
112.63647	4.6
115.03881	7.1
119.08591	10.6
121.10145	10.5
127.03918	25.3
131.08559	6.0
133.10106	8.4
135.11679	5.0
137.82803	4.5
145.04979	19.1
145.10118	6.7
156.63705	4.0
159.11717	5.9
161.13248	5.1
163.06007	4.4
241.07368	6.0
261.22153	7.8
280.00601	4.6
335.25909	61.6
342.54779	6.6
443.27768	14.6
461.29053	5.7
479.29907	22.8
497.31357	6.1
659.36322	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	0.7
71.54008	0.1
72.08167	0.2
74.50877	0.2
82.70451	0.1
84.08123	0.3
84.15184	0.2
94.02872	0.2
94.03424	0.2
106.22884	0.2
143.07381	0.2
144.08098	26.8
145.08864	0.8
158.09651	2.0
170.09653	100.0
171.10425	24.2
171.12581	0.3
172.11185	0.2
187.12309	1.0
190.56567	0.2
201.13879	4.1
201.15614	0.2
202.14659	17.9
237.78905	0.2
246.96637	0.2
301.19122	3.4
452.23340	0.2
499.67838	0.2
533.86450	0.2
659.31763	50.8
689.00281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72532	0.5
56.47800	0.4
57.01014	0.4
57.72220	0.5
72.08164	25.4
72.83710	0.5
73.51771	0.6
73.60536	0.5
89.10799	24.6
98.06087	0.6
110.55178	0.5
115.08665	1.1
135.04456	0.8
145.02884	2.2
163.03906	100.0
165.87883	0.6
211.06445	0.6
234.11255	22.1
251.13907	75.3
493.38855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06566	1.3
72.02559	0.8
72.08144	1.5
72.76828	0.8
73.18092	0.8
79.05521	0.8
85.02901	1.1
86.09699	0.9
92.72823	0.8
95.00676	0.8
95.04973	1.0
107.04959	4.1
107.27197	0.9
125.06045	1.0
131.04974	1.3
133.02818	1.0
137.05989	1.9
145.06511	4.0
147.08078	1.7
149.06049	1.5
149.75542	1.0
153.05420	3.1
154.06107	1.0
159.92000	0.9
161.05969	5.4
163.03929	2.0
165.05476	1.8
167.07010	13.2
170.09657	3.1
171.06493	4.0
172.98991	0.9
173.06010	3.9
175.07544	3.8
179.07155	1.1
181.04958	100.0
189.05490	1.3
190.06027	0.9
191.07060	1.7
193.08702	1.3
201.05536	1.0
203.07031	0.9
205.08545	1.7
205.28084	0.9
207.06566	3.7
207.10197	1.6
209.08170	1.5
217.08641	3.3
219.06374	1.4
220.09641	1.4
221.08063	8.8
225.07640	2.9
233.08044	8.5
235.09630	7.1
261.07639	4.2
277.08862	1.0
279.08627	7.0
293.07938	1.4
310.08359	1.2
323.09348	1.4
325.10767	0.9
331.11850	1.1
337.10556	1.2
338.11697	1.2
353.10321	1.0
354.10980	0.9
385.12769	4.4
397.12918	3.0
401.12363	3.3
403.13901	1.2
415.13834	31.8
433.14890	10.1
569.38257	1.0
641.22308	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	658.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62909	1.4
57.03439	1.6
60.04535	65.5
61.02919	2.3
67.05501	2.7
69.03432	13.7
69.07065	5.8
70.06584	3.7
71.04987	1.9
81.03432	3.7
81.07045	6.1
85.02417	2.4
85.02912	61.0
91.05489	2.4
93.07072	1.7
95.08596	8.0
97.02903	19.7
99.04458	2.3
102.05540	1.6
104.07085	2.3
105.07059	1.7
109.02877	8.0
109.10142	1.9
121.10172	2.1
127.03935	14.1
136.45882	1.5
145.04951	9.3
163.03897	3.3
167.07039	3.2
177.05521	2.3
181.05003	1.7
208.67728	1.4
209.08018	1.9
224.11365	1.6
245.60541	1.5
250.25450	2.6
262.25308	3.6
280.26376	10.9
298.27469	11.3
316.28461	8.1
334.29480	37.0
403.14600	1.5
441.20401	1.6
496.34808	9.2
497.27072	3.3
640.27032	8.3
658.29175	11.9
658.40076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67972	1.2
55.05519	2.8
56.33986	1.2
57.03455	1.8
57.07068	9.1
59.04995	1.5
59.79738	1.2
61.02938	2.3
69.03437	16.9
69.07073	47.9
69.18672	1.3
71.01361	2.1
71.04980	7.0
71.08626	9.3
73.02908	6.3
73.06558	8.2
73.20931	1.5
75.34009	1.5
80.57258	1.3
81.03421	13.6
82.73745	1.4
83.08585	1.8
84.08126	2.0
85.02910	100.0
85.10161	1.8
87.00833	21.5
89.06031	24.4
95.04929	1.7
95.08627	1.7
97.02890	30.2
99.04460	8.9
103.03954	3.6
105.01869	39.2
109.02895	20.3
111.11723	88.0
125.02430	1.7
127.03920	42.9
129.01842	3.4
129.12756	69.5
141.01810	15.5
145.04941	11.0
150.23267	1.6
159.02899	9.3
171.55147	1.5
189.03940	2.6
199.16931	16.7
202.98930	1.5
213.03970	3.4
214.63287	1.6
217.17987	45.6
231.04991	19.1
233.89992	1.7
249.06001	11.6
261.06256	2.4
274.51028	1.7
303.07184	2.3
359.17044	5.9
377.18311	2.2
389.07330	6.3
407.08136	6.7
425.09302	2.9
447.22284	3.0
465.23123	1.9
604.03241	1.8
646.85895	1.7
658.25323	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	658.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15043	0.3
55.01885	0.6
55.89210	0.4
57.77927	0.3
61.02919	0.6
63.60932	0.3
63.88607	0.4
69.03416	0.8
69.07035	0.5
79.05485	0.8
85.02901	6.1
87.04470	2.3
97.02906	3.4
97.06539	7.9
98.54607	0.4
104.07134	3.4
107.04964	7.3
109.02910	0.7
111.24255	0.5
117.07001	0.5
123.04422	0.5
124.05221	0.6
125.05884	0.6
127.03956	1.6
129.07072	0.6
131.07690	0.4
131.08517	3.9
137.05965	0.9
141.06973	0.9
144.05685	0.8
145.05014	0.6
147.04459	0.6
149.06003	0.6
153.05460	0.5
159.08017	8.1
161.05956	2.4
162.07625	0.8
165.05545	0.5
167.07036	31.9
169.06509	1.8
170.07301	1.0
173.05975	0.6
175.07529	0.5
177.05389	2.1
179.07106	1.0
180.08698	2.7
181.04984	2.0
184.05266	0.8
186.06749	2.5
187.07541	10.9
191.06995	2.0
193.08542	1.1
200.08322	0.7
201.09117	4.7
202.06310	2.4
205.08606	2.6
207.10208	0.5
211.07562	0.6
214.06305	0.5
215.07033	1.6
217.08594	32.8
219.08131	1.2
219.10162	4.2
229.08589	8.8
231.07996	2.0
231.10202	2.1
232.09013	0.7
233.09518	2.0
235.11288	0.9
245.09682	2.0
247.07462	2.1
247.09650	13.5
248.08270	6.0
249.09131	0.6
251.10719	0.8
259.07541	1.9
260.08307	1.0
261.09036	2.5
262.09915	4.2
263.10675	8.7
264.07874	1.1
265.10690	5.1
271.09564	0.6
273.09058	1.1
275.07123	3.5
276.07822	4.8
277.08719	1.9
279.10187	4.2
280.10864	0.5
287.06790	0.7
290.09406	4.7
291.10153	12.1
292.10956	0.9
293.05139	0.4
293.08170	3.9
296.10480	0.5
299.09439	0.6
304.07236	1.9
305.08087	2.1
305.11560	0.9
307.09418	5.7
308.10400	8.9
309.11362	0.9
315.08600	4.6
318.08875	0.8
319.09720	6.0
320.10532	0.6
321.07587	4.2
321.11023	1.0
322.08554	0.6
322.12054	3.0
323.12802	7.2
325.10822	1.9
326.11597	0.7
330.11008	4.9
335.09189	2.4
336.09885	5.0
337.10727	9.0
339.12408	1.7
340.13098	1.1
343.11871	0.9
350.11438	4.1
351.12292	9.1
352.13025	2.3
353.05841	0.6
353.10175	12.7
368.12549	19.3
371.14923	5.5
383.14883	100.0
385.16260	0.6
401.15958	23.4
417.30948	0.5
418.24478	0.5
426.12308	0.6
442.62262	0.4
443.17014	64.0
461.18127	2.9
497.60455	0.5
529.14819	2.0
658.19238	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	658.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.8
55.01882	1.8
57.03426	0.6
61.02928	0.9
68.99801	0.6
69.03435	7.2
70.06595	1.1
71.04988	1.1
72.08147	0.6
73.02914	2.3
81.03422	6.7
85.02413	0.9
85.02912	21.2
87.00820	7.5
91.03951	0.7
97.02886	8.7
99.04470	4.0
103.05477	0.8
105.01873	6.9
105.07035	0.8
109.02886	8.9
113.99017	0.4
117.01800	0.8
119.04967	0.4
119.18499	0.5
122.03632	0.9
127.03923	14.9
129.01784	0.8
131.04938	5.2
133.06490	2.5
137.05989	100.0
145.04974	4.5
145.06294	0.5
147.02895	0.6
151.07570	1.9
159.02872	6.3
161.05981	1.8
163.03871	2.0
163.07541	18.6
165.09099	1.1
167.07033	3.2
175.07603	2.3
177.09189	1.0
179.06976	0.8
181.08592	11.9
187.07556	0.8
195.10162	0.7
205.08617	2.6
213.03949	0.9
213.11168	6.6
220.09732	1.0
223.09689	2.2
224.82333	0.5
229.08701	0.7
231.04974	4.2
265.10638	0.9
271.09830	0.6
289.10687	4.2
293.47510	0.5
307.11624	1.0
375.10687	0.5
375.18808	0.6
393.11832	3.0
411.13040	2.9
608.74658	0.5
658.27673	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	658.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44313	0.1
55.15568	0.1
56.73618	0.1
69.03419	0.7
70.06585	0.3
72.08123	0.3
80.23756	0.1
81.03422	0.8
85.02895	1.1
87.00826	0.6
97.02917	0.3
105.01907	0.2
107.04946	0.9
109.02872	0.8
115.05428	0.2
121.06535	0.3
123.04449	0.4
127.03907	0.7
133.06509	0.3
137.05943	0.2
149.05971	1.1
152.04587	0.2
153.97069	0.2
161.05974	0.9
163.03996	0.2
163.07465	0.2
167.07036	100.0
175.07446	0.2
177.05434	0.2
179.07040	0.2
181.08604	1.6
193.08615	5.7
195.64728	0.2
205.08690	0.3
207.10127	0.7
211.09654	19.3
232.24733	0.2
253.95943	0.2
259.09683	0.2
273.11111	0.2
301.10629	0.4
311.50037	0.2
319.11838	0.2
353.29544	0.2
389.50214	0.2
393.19089	1.8
423.12863	0.2
441.13657	0.3
483.19864	0.3
501.20755	0.3
602.93463	0.2
658.29651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
70.06578	0.6
72.08149	0.4
74.08029	0.4
79.56075	0.4
80.36311	0.4
81.03391	0.6
84.04500	0.4
85.02909	3.8
96.08408	0.5
97.02847	1.4
97.06506	1.8
107.04968	6.3
129.06995	0.8
131.08565	2.7
138.40236	0.4
141.07008	1.1
142.17589	0.5
144.05710	0.7
145.06454	1.7
153.05444	0.9
156.05602	0.7
157.06490	0.6
159.08073	8.0
161.05888	1.5
162.07657	0.8
167.07037	25.1
169.06497	1.1
170.07227	0.7
173.06033	2.1
175.07600	0.6
177.05460	0.8
179.07014	0.8
180.08650	0.9
181.04961	2.4
186.06737	2.2
187.07559	9.5
191.06987	0.8
193.08621	1.0
196.54849	0.4
200.08345	1.0
201.09053	4.2
202.06235	2.6
205.08595	4.7
211.07515	0.6
214.88499	0.4
215.07002	1.9
217.08591	26.6
219.08237	1.0
219.10176	5.3
229.08601	8.9
231.08063	1.7
231.10207	1.7
233.09615	1.7
245.09695	1.1
247.07547	1.2
247.09677	11.2
248.08281	4.4
249.08948	0.5
258.06772	0.5
259.07541	1.0
260.08307	0.7
261.09042	2.2
262.09851	3.6
263.10666	7.5
264.07620	1.3
265.10696	6.5
271.09576	1.9
273.09088	1.0
275.07101	1.9
276.07843	4.8
277.08423	1.5
279.10156	2.6
280.10742	0.5
289.08517	1.0
290.09253	3.3
291.10135	13.7
292.10928	1.0
293.08139	3.9
293.11136	0.6
299.08948	0.9
304.07355	0.7
305.08200	1.0
305.11792	1.8
307.09482	5.5
308.10391	7.2
315.08615	4.0
318.08920	1.1
318.87143	0.5
319.09540	5.8
320.10495	1.7
321.07584	3.5
321.11179	1.7
322.08456	0.9
322.12006	3.0
323.12811	6.9
325.10608	1.7
326.11426	0.8
330.10983	6.6
335.09201	1.9
336.09952	4.5
337.10739	8.7
338.07983	0.7
339.12308	0.9
340.13019	1.8
343.11588	1.1
350.11377	4.9
351.12314	6.1
352.13013	2.4
353.10190	12.3
356.20114	0.5
368.12552	21.1
369.13577	0.6
370.66367	0.5
371.14844	5.9
383.14874	100.0
401.10779	0.8
401.15994	19.0
443.17001	67.5
461.18140	3.7
536.31720	0.5
627.88403	0.5
656.02838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	3.7
58.19765	0.8
70.06604	14.6
72.08161	14.7
84.08150	7.3
98.09693	1.3
110.09619	1.0
110.98183	0.9
112.11234	6.7
126.46711	0.8
126.71986	0.9
129.13858	2.2
135.04420	3.2
138.36685	0.9
145.02856	2.0
155.11807	3.4
158.68520	1.0
163.03906	80.0
164.04247	1.0
173.55255	0.9
192.06499	1.4
218.08078	1.0
219.11304	1.0
220.09691	100.0
222.11230	1.4
263.35516	1.0
275.13809	3.6
308.07706	4.4
313.66510	0.9
332.19556	3.9
349.22308	1.9
421.16132	1.8
472.28918	1.1
478.21677	2.2
495.24667	4.0
501.32343	1.1
613.29010	1.1
657.27649	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43429	3.0
50.96217	2.6
64.10924	2.8
64.57930	2.9
70.64435	3.2
75.88187	3.0
76.71420	3.0
90.90456	3.6
92.17808	6.2
107.04936	5.7
115.41572	3.3
120.46011	3.5
127.01125	3.1
132.48811	3.5
133.67642	3.2
136.17502	3.4
157.06462	13.4
159.97209	3.4
161.05977	4.1
163.07553	3.5
167.07025	46.5
170.09630	4.3
173.06029	5.5
180.08694	3.9
181.04930	27.8
181.08594	18.7
189.09099	39.9
223.07332	3.4
233.08064	7.7
245.08066	26.3
251.07132	4.1
302.69846	3.5
314.19681	4.0
315.12347	19.9
447.16483	100.0
459.16394	19.0
534.92468	4.7
607.32507	3.4
656.29480	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	656.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.5
61.19707	0.4
61.94722	0.4
62.58278	0.5
65.60500	0.5
69.03430	0.5
70.06607	3.6
72.08169	3.6
76.22627	0.4
81.03428	0.8
81.54753	0.5
84.08146	0.9
85.02880	3.1
86.09708	0.7
87.00817	0.7
97.02890	0.8
100.11253	9.8
103.05501	0.9
107.04964	1.0
109.02872	1.7
114.10316	2.1
119.12981	0.5
121.06501	0.8
123.04396	1.0
127.03896	2.0
131.04927	13.6
133.06517	0.6
137.05904	0.6
149.06050	0.7
151.07463	0.7
157.06740	0.5
159.02896	0.6
161.05963	2.8
163.03867	3.6
163.07542	12.5
165.05444	0.9
165.09125	0.8
167.07033	100.0
177.09076	7.2
181.08580	4.4
189.09108	2.4
193.08586	7.2
207.09929	0.5
211.09647	13.0
217.09940	0.6
218.09944	0.5
220.09709	0.8
221.11748	0.5
222.11259	2.8
259.88095	0.5
261.08713	6.1
262.09000	3.3
285.08514	0.6
304.09787	0.6
313.08365	0.8
314.08463	1.0
317.13867	0.5
331.09290	2.2
332.09436	1.1
345.12155	0.7
345.87048	0.5
361.16443	13.2
370.27103	0.9
373.16504	10.4
416.18402	1.1
417.18304	2.6
436.03189	0.6
446.51685	0.5
486.18518	0.6
487.18988	1.9
591.20758	0.9
628.66565	0.5
638.28699	4.7
655.80048	3.0
656.29926	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	656.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.8
70.06573	0.5
75.10056	0.4
77.59118	0.5
79.05480	0.8
85.02900	3.0
91.05479	0.5
93.07027	0.5
104.66373	0.5
107.04969	5.2
121.06505	2.2
123.04414	0.9
125.05989	0.5
129.07004	3.4
131.04941	2.4
131.08572	4.9
137.05978	6.6
141.03764	0.6
145.02756	0.6
147.04453	0.7
149.05949	0.7
151.07532	2.9
153.05490	2.3
155.07071	0.7
157.06497	10.9
159.08028	0.7
161.05943	9.3
161.09618	4.8
163.07535	3.2
167.07039	25.4
167.08415	1.1
170.09688	2.9
171.09967	4.2
174.06793	3.3
175.07579	2.6
177.09134	0.8
179.07034	1.2
180.08704	1.3
181.08600	20.2
181.10054	0.8
187.07539	1.1
189.09106	46.3
191.06940	1.0
191.10632	1.2
195.08035	1.1
203.10614	0.8
219.08083	0.8
223.07588	0.8
236.08421	0.6
237.08980	0.7
247.07558	0.6
251.07040	2.7
251.10631	3.8
255.10095	3.7
279.10126	2.9
283.09689	5.6
283.13290	7.3
293.10092	5.2
297.08032	0.6
297.11075	1.4
300.10016	0.7
302.11511	2.4
311.12842	3.6
314.11502	0.7
315.12280	15.5
343.15430	4.7
361.16446	0.7
386.43970	0.6
447.16498	100.0
459.16559	1.0
546.23468	0.6
566.92206	0.5
638.29205	0.6
656.28375	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	656.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
61.02904	1.5
63.37247	0.9
69.03423	4.7
81.03426	1.6
85.02908	45.3
91.03911	1.2
95.01332	4.9
97.02892	14.4
107.04956	22.3
109.02897	2.6
113.02382	2.0
119.04961	7.4
121.06504	24.4
127.03929	11.8
131.04933	1.9
131.08597	1.7
133.06508	4.7
135.69318	1.1
141.01828	41.4
145.04964	14.1
156.53807	1.1
159.02821	2.3
159.08057	22.0
163.05956	6.6
164.06931	1.2
164.71198	1.1
177.09152	10.9
182.08206	1.9
193.08647	5.6
201.47762	1.2
207.08032	2.1
224.08427	1.3
225.09105	70.9
227.10599	12.9
235.11086	1.3
239.10695	5.4
251.54153	1.3
253.12238	43.4
261.08701	7.2
262.08963	8.5
263.10507	1.1
271.13272	100.0
283.13333	6.6
287.82693	1.1
301.14169	1.5
305.11414	1.4
321.08157	6.1
331.09198	1.7
332.09433	1.5
339.09219	2.4
379.15106	1.3
397.16345	1.2
403.78006	1.4
407.17648	1.8
416.18002	2.0
417.18567	1.3
453.18515	1.3
487.18921	2.2
626.28973	4.4
638.29047	9.6
656.30469	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	655.323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	0.9
59.12900	0.7
70.73064	0.9
74.99347	1.0
120.04316	1.0
136.61494	0.9
137.06041	1.7
144.08096	28.0
158.09668	1.1
161.06064	1.4
167.07066	1.0
170.09654	100.0
171.10419	21.6
196.72206	0.9
201.13902	3.7
202.14655	15.0
206.73143	1.1
214.78603	0.8
222.43895	0.9
257.76901	0.8
301.18964	1.0
378.92010	1.0
416.15100	0.9
655.32318	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56790	12.5
57.07077	42.7
57.07841	9.4
65.03836	10.2
71.08631	54.5
72.00704	12.0
76.11800	8.8
79.19292	12.9
81.07069	14.6
83.08602	16.4
85.10181	27.6
92.58766	10.8
95.08601	26.0
102.94081	12.4
130.27946	15.0
133.25867	11.6
313.27396	100.0
318.89841	10.9
331.28491	80.7
338.59354	11.2
411.97238	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	655.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22816	4.3
92.07526	4.4
110.06039	9.2
110.24595	4.0
122.05991	7.3
136.07590	21.1
137.06067	6.3
138.09152	28.5
140.07080	19.0
154.08611	21.7
164.07069	49.8
165.08737	4.2
174.09177	8.1
176.07060	4.6
180.27902	4.8
181.09770	10.2
182.08134	88.6
192.10147	5.0
199.10881	8.9
202.08635	6.7
209.09232	20.0
217.09819	5.3
229.06104	4.4
230.08199	9.8
235.10730	7.2
245.09236	54.3
246.07655	5.7
248.09132	7.1
259.10886	7.6
261.08698	42.7
261.12369	6.2
263.10251	89.1
271.07269	10.7
275.14001	8.3
278.83643	4.8
287.10254	52.8
289.11841	6.4
299.02017	5.8
301.11850	30.3
305.11310	67.2
307.12915	24.7
313.08386	5.6
315.91672	5.8
333.10995	5.5
406.17572	10.6
416.18292	6.0
426.20291	18.4
438.20450	17.1
444.21375	26.6
452.18146	24.3
486.18759	19.0
488.20135	32.1
607.27759	82.5
619.28156	4.7
625.28674	100.0
626.50140	4.5
637.28833	39.0
655.29510	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79801	1.3
58.27637	1.2
68.96529	1.4
74.29888	1.5
78.79269	1.6
101.11964	1.3
110.06052	6.6
136.00616	1.4
136.07610	3.6
138.09190	7.0
139.80760	1.4
140.07080	3.2
153.05403	1.4
154.08675	8.0
164.07085	18.1
174.09164	2.2
181.09821	2.6
182.08125	25.0
192.10252	1.9
199.10841	7.7
203.08255	2.3
204.06339	1.9
209.09190	2.3
217.09756	8.8
235.10744	8.4
237.34492	1.5
245.09151	11.1
246.07585	2.5
248.09073	1.7
259.10733	1.5
261.08704	45.1
263.10254	19.1
269.09122	2.5
271.04358	1.5
271.07123	2.0
285.08630	5.8
285.12268	11.9
287.10251	15.7
301.11963	8.2
305.11209	16.7
307.12860	6.6
313.08096	12.2
331.09302	18.5
362.18765	2.3
363.16333	1.5
380.19849	8.4
382.21527	1.7
390.18085	2.7
406.17615	56.7
408.19217	14.1
416.18124	9.1
422.20676	1.5
424.18625	3.4
426.20547	11.0
426.25693	1.4
434.16995	1.8
438.20670	1.8
444.21414	2.1
451.16846	1.6
452.18176	72.3
470.19208	2.5
482.18854	1.8
486.18729	8.8
488.20380	13.9
500.20224	2.5
578.35699	1.6
607.27734	27.7
625.28619	49.3
637.28723	100.0
655.29736	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66417	0.8
59.46498	0.8
80.56448	0.8
92.17860	1.1
93.90134	0.9
100.99932	0.8
103.52266	1.0
110.06043	2.0
122.05997	1.8
140.07031	1.6
144.52927	1.0
164.07095	2.0
167.07011	1.2
182.08092	3.3
210.11438	1.6
217.09711	11.3
233.09169	0.9
235.10715	8.0
240.99977	2.9
259.10837	1.2
261.08698	100.0
269.09283	4.7
285.02615	1.5
285.08722	12.3
285.11945	1.9
287.10229	8.8
301.02261	2.0
305.11218	2.1
313.08231	24.8
331.09268	36.7
362.18600	1.5
380.19638	1.4
398.17105	4.5
406.17639	15.7
408.19208	3.8
416.12796	1.8
416.18152	37.9
434.17197	1.3
436.18604	9.2
452.18024	10.5
464.17804	1.0
468.18030	1.2
482.19202	9.0
486.18607	22.2
493.10294	2.2
511.11292	3.9
543.26001	1.1
561.26929	6.7
607.27490	2.0
630.77905	1.0
637.28662	75.9
655.16809	2.6
655.29730	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18195	1.5
69.69824	1.5
71.20777	1.6
72.08139	1.9
81.24597	1.7
86.45419	1.6
86.71406	1.5
90.70960	1.8
92.24454	1.7
97.10164	1.5
110.06049	12.7
122.06062	7.2
124.07651	2.6
136.07567	20.2
137.05992	3.3
138.09164	18.8
140.07085	11.1
154.05055	2.1
154.08644	15.1
163.07603	8.4
164.07077	37.8
165.05467	1.8
174.09172	3.3
177.06656	3.6
181.05035	3.5
181.09750	16.4
182.08147	69.7
182.09682	3.6
192.10167	1.8
199.10780	19.3
199.12411	2.0
203.08171	4.3
204.06627	2.9
208.07451	2.4
209.09189	15.2
217.09776	8.4
225.07481	2.0
229.06070	2.5
230.08118	12.3
235.10748	8.0
245.09189	33.4
246.07628	4.1
248.09190	8.4
259.10913	2.6
261.08780	14.4
262.10898	2.2
263.10269	61.5
263.12872	3.2
271.07138	8.3
272.09274	4.0
275.13849	4.2
277.11862	3.5
287.10297	25.7
289.08371	2.6
299.13791	2.4
301.11816	21.3
305.11325	47.1
307.12912	18.2
317.14911	3.6
319.12662	2.0
329.26062	1.8
331.08200	3.0
339.17386	1.9
349.17502	1.7
366.18271	2.3
378.17935	2.1
406.17453	2.8
407.16934	12.4
411.18869	2.0
420.19122	2.0
424.18835	6.3
426.20343	13.6
434.17300	2.5
438.20325	14.1
444.21277	7.6
452.17975	8.5
456.21204	3.6
486.18515	15.8
488.20340	28.4
514.99371	2.1
561.27576	2.3
589.26324	3.6
605.15436	2.2
607.27515	43.3
619.27417	2.5
625.28754	100.0
637.28949	26.2
638.05475	2.3
641.13922	2.0
655.29797	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.298
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	1.7
70.06582	4.0
72.08144	7.4
85.23707	1.7
92.70560	2.2
96.92326	1.7
99.70908	2.1
110.05991	2.5
120.98502	2.1
126.34319	2.2
163.03931	2.9
170.09695	4.4
175.78497	2.0
194.37424	2.1
217.09741	2.3
220.09708	3.3
220.88930	2.0
221.07977	2.0
261.08698	44.2
277.08514	2.9
278.08795	2.7
285.08725	3.7
285.12277	3.3
287.10516	3.3
313.08194	11.6
331.09256	13.4
362.18271	2.3
380.19711	4.6
382.96381	2.5
398.17188	2.7
406.17694	29.5
408.19016	7.9
416.18130	12.4
434.17181	2.8
436.18701	17.9
452.18182	8.7
474.22403	3.7
482.19135	10.6
482.87564	2.3
483.81573	2.5
486.18570	10.3
561.27136	9.5
608.47504	2.3
637.28625	100.0
655.29803	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57683	0.7
70.06605	1.2
71.91228	0.9
72.08161	1.1
78.14182	0.8
80.56132	0.8
84.04439	1.0
89.95754	0.8
102.43489	0.9
104.99716	0.8
109.04639	0.8
110.06078	3.0
119.31713	0.8
126.03307	0.8
136.07610	1.7
140.07126	1.1
154.08664	1.8
163.03934	1.5
179.04129	0.9
182.08231	3.8
204.66609	1.1
206.80560	0.8
210.11365	1.4
217.09758	11.3
218.08217	1.3
220.09850	1.0
231.02966	0.9
233.09288	1.1
235.10774	9.8
246.18910	1.1
257.09473	0.9
259.10773	1.2
261.08704	100.0
269.09302	4.6
285.08713	14.7
287.10275	11.6
288.09094	0.9
301.11777	1.1
305.11438	4.3
313.08194	28.6
313.11758	1.4
331.09229	44.6
331.12988	1.7
398.17325	6.6
406.17538	6.3
416.18140	35.3
422.17285	1.2
436.19006	1.1
440.18488	2.8
452.18265	6.7
476.21051	0.9
482.19476	1.1
486.18759	23.6
607.27106	1.5
637.28571	31.2
655.29858	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33883	3.9
63.59979	3.7
65.03944	5.8
67.05442	3.5
70.40224	3.8
78.90399	3.9
93.03419	5.3
110.03691	5.8
111.04445	15.4
121.02859	9.9
125.05986	21.9
128.54826	4.1
137.05997	5.4
151.14572	4.3
153.05475	60.0
167.07039	9.0
177.05515	5.1
177.57814	4.2
181.04942	36.1
197.08087	7.9
207.06561	7.1
219.08051	7.0
236.90190	4.5
240.08014	4.4
241.04095	4.6
247.07443	5.5
264.07928	4.4
279.10165	4.2
297.11279	8.2
307.09824	6.0
309.11069	4.3
324.10608	7.8
325.10690	17.7
339.12250	42.9
351.12366	7.2
357.13300	100.0
357.17422	7.0
369.13351	16.6
593.86035	4.6
655.23529	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	655.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27385	0.5
70.06602	1.3
97.35986	0.8
108.82716	0.7
113.69644	0.7
113.80769	0.7
144.44220	0.7
210.11305	3.2
217.09711	1.2
257.09238	1.8
261.08691	100.0
262.14413	0.7
277.01868	0.8
284.11578	3.2
285.08725	11.9
285.12286	3.4
301.11688	1.1
313.08154	26.6
331.09232	47.3
380.19598	0.8
392.19690	1.1
398.17081	9.1
406.17587	26.4
406.22711	1.3
408.19125	7.3
421.16370	1.4
436.18686	22.9
438.20169	1.4
449.15048	0.8
452.18216	8.2
464.18079	1.1
468.17538	9.4
482.19122	17.0
486.18518	1.2
500.20425	1.8
518.21631	1.0
607.27148	1.2
619.27716	26.7
637.28717	37.4
655.29675	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	655.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59420	2.6
70.15237	3.0
82.45811	3.2
91.05514	4.8
103.05470	5.9
105.46214	3.2
106.33195	4.4
116.29452	3.3
118.04166	3.4
118.89105	3.4
123.04468	3.6
131.04930	29.8
133.63231	3.6
137.05980	66.8
145.06491	3.3
148.05148	4.7
151.03911	100.0
151.07573	4.1
151.57399	3.4
163.07475	23.0
165.05455	6.0
167.07059	15.9
175.07477	5.7
177.09151	4.0
179.07034	6.2
181.04951	59.1
189.09084	6.8
190.11261	3.1
191.07037	94.9
197.08072	15.6
203.07068	4.5
207.06560	19.6
233.08171	3.8
238.74445	3.5
263.09204	20.9
267.08746	18.8
280.29269	3.6
309.11261	4.2
369.13629	11.5
387.14474	57.6
435.17850	3.6
589.27148	3.1
595.21490	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	654.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46962	0.4
64.11995	0.5
65.03944	0.9
70.06586	0.7
72.08143	0.7
85.02823	0.7
86.09724	0.5
91.05466	0.9
93.03400	2.6
103.03939	3.2
103.05482	0.8
110.03666	2.8
111.04453	3.6
119.04971	2.3
121.06483	1.1
125.05996	5.0
131.04903	2.7
135.04378	0.9
137.05991	21.2
147.04433	1.0
149.05988	4.2
151.07559	1.3
153.05467	17.0
160.01544	1.3
163.03912	7.6
163.07559	1.2
164.04698	4.4
165.05516	1.1
165.09140	1.1
167.07040	3.9
175.03923	2.2
177.05502	1.1
177.09201	0.6
178.02629	1.1
179.07039	0.7
181.05014	0.8
191.03477	1.4
192.04041	0.7
193.04982	0.7
195.06557	3.8
205.04980	1.3
207.06544	3.0
213.09059	4.3
219.06531	1.1
221.08237	0.7
226.06174	0.9
235.06195	0.6
241.08553	1.2
257.08191	0.6
267.06580	2.5
270.05267	1.3
277.08139	0.7
278.08798	0.7
282.05356	0.7
285.07596	3.7
296.10580	0.6
297.07587	2.7
297.11017	1.1
298.08490	2.8
299.09174	0.8
313.07114	12.8
313.10840	2.6
314.07605	0.6
317.10101	1.4
325.07111	0.8
325.10770	1.2
329.10388	2.4
339.12344	1.1
345.09741	2.6
357.09717	1.1
478.12756	2.4
490.12787	3.5
508.13666	20.4
551.10156	0.6
552.17041	0.9
553.90106	0.6
576.85559	0.9
595.18091	26.4
636.28503	0.7
654.25470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
80.41394	0.4
84.05634	33.7
85.49149	0.4
95.08601	0.9
108.95156	0.4
110.07163	3.0
151.38289	0.5
178.13397	6.2
180.14987	1.7
185.35866	0.4
205.92044	0.4
206.12923	2.3
210.38280	0.4
224.13948	100.0
240.13445	1.0
241.13774	1.6
242.02486	0.5
242.15007	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	0.8
66.90136	0.6
71.54931	0.5
72.95290	0.5
92.18475	0.9
112.51249	0.6
114.48374	0.6
135.54860	0.5
144.08096	29.3
158.09705	2.6
170.09651	100.0
171.10426	18.5
186.11646	0.8
187.12347	0.9
201.13931	5.5
202.14653	9.5
205.22150	0.6
240.55698	0.7
277.08237	2.3
347.82608	0.7
383.09265	0.6
457.18338	0.6
635.27594	0.7
653.33459	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94604	1.2
54.17101	1.2
58.06612	2.4
60.03758	1.2
62.64203	1.2
72.08163	9.7
86.09712	22.1
87.30527	1.3
87.53409	1.4
100.11263	100.0
140.14340	1.4
146.11803	2.0
198.42238	1.4
228.16016	11.9
256.72659	1.6
299.23264	8.5
313.24826	1.7
327.22861	1.7
384.47098	1.7
625.45306	10.3
653.44971	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	653.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06332	0.5
57.46823	0.5
57.57578	0.5
58.06599	0.9
59.40903	0.5
70.06613	4.7
72.08161	9.5
84.08151	1.0
84.82206	0.6
86.07975	0.6
88.56693	0.6
88.98636	0.5
96.13435	0.6
100.07623	1.1
109.55396	0.6
112.11255	3.7
113.07143	2.6
123.04433	10.7
155.11806	13.7
161.05966	0.9
162.05559	3.4
163.03955	1.2
165.05473	11.7
165.09108	0.6
167.07033	7.8
168.06505	4.3
169.07394	6.2
172.14508	0.6
177.05525	0.7
184.64465	0.6
190.05019	15.4
193.08641	2.3
204.10121	0.7
222.11252	51.6
223.00615	0.6
224.98686	0.8
236.12791	5.5
238.99954	1.0
241.07326	1.3
242.99620	0.8
249.95486	0.6
255.08990	0.9
256.09723	0.8
261.08609	4.6
263.10263	1.0
266.08081	0.8
268.05917	2.0
269.06982	3.2
273.09982	1.1
274.10840	1.0
280.06104	3.0
283.08524	2.6
284.09155	9.8
287.10425	1.4
293.18607	10.3
294.07797	0.8
296.05811	0.7
297.06461	4.1
297.09735	0.7
298.07169	4.1
302.10202	16.0
305.11206	1.0
310.21225	9.8
311.07950	3.3
312.08664	15.9
313.09314	3.6
314.06549	0.9
316.11682	1.1
326.10294	3.6
329.08878	6.5
331.09308	2.8
336.19244	2.6
344.11249	11.0
369.14246	1.3
373.03592	0.7
401.17270	3.1
406.17780	2.5
408.19016	0.8
452.18478	1.4
470.19348	1.3
491.09845	8.5
500.20148	3.9
509.11215	7.1
605.26556	1.3
623.27032	2.2
653.31842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2824
Annotation	Saludimerine B
Peak:m/z	Relative Intensity
58.25748	1.8
64.50402	1.9
65.81995	2.1
70.18533	2.0
106.06547	2.9
122.09618	4.5
134.05991	4.2
136.07558	3.8
138.09143	4.2
162.05493	59.5
164.07063	4.7
170.09634	3.8
174.09161	3.4
175.03659	2.1
203.08128	3.4
204.06686	2.7
217.09766	3.2
229.06082	11.6
233.09126	3.3
235.10802	12.9
243.14952	2.5
245.09277	22.7
246.07539	3.0
259.07117	3.2
259.10638	2.6
261.08734	19.6
263.10226	46.9
271.07089	12.9
274.13181	2.5
275.13879	21.4
277.08249	2.6
285.08774	4.4
287.10327	23.9
289.08093	2.7
301.11798	5.0
303.09811	2.1
305.11279	51.7
307.12753	2.5
313.08304	5.0
331.09320	8.3
380.19717	8.4
382.21481	3.5
396.15326	4.8
398.20718	4.3
406.17648	11.0
408.19342	3.2
424.18625	9.5
426.20148	21.8
442.19800	7.9
444.21320	4.4
452.18347	4.5
466.16135	9.6
470.18951	11.1
484.16727	2.2
491.51761	2.6
500.20142	2.9
587.25067	36.6
598.82971	2.3
605.26068	100.0
617.25916	3.3
623.26849	12.4
630.85468	2.4
635.26868	12.7
653.28162	37.1
674.23071	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	653.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13847	2.0
63.82211	2.1
74.82342	2.1
76.82764	2.1
100.94654	3.0
114.09228	3.2
123.61352	2.3
144.08092	2.3
153.05513	3.2
170.09654	12.3
191.06863	2.4
194.61885	2.9
275.06790	3.5
277.08182	100.0
382.14105	3.3
391.15283	5.3
404.16089	2.9
406.17551	52.1
414.16574	25.8
450.16559	13.5
468.17761	31.8
498.18646	4.5
506.06531	2.8
614.75452	3.0
635.27264	46.9
653.28748	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34768	0.2
58.06585	0.5
62.58644	0.3
66.99561	0.2
73.71581	0.2
74.18204	0.2
117.08472	0.3
122.09646	0.3
131.10518	0.3
144.08093	28.4
145.08885	1.3
158.09654	1.9
170.09648	100.0
171.10423	17.5
171.58606	0.3
187.12314	1.3
201.13873	5.4
202.14658	9.9
229.06215	0.3
231.45798	0.3
261.08716	0.4
301.19095	0.3
305.11432	0.3
461.22797	0.3
605.25793	0.4
653.27100	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94794	0.7
58.06593	0.6
63.49455	0.5
103.13690	0.7
115.43238	0.6
144.08104	28.4
156.04561	0.7
158.09642	1.2
170.09653	100.0
171.10419	17.0
197.26195	0.7
201.13887	6.9
202.14648	9.6
277.08316	0.7
607.28363	0.8
653.27051	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51363	0.6
59.61758	0.4
63.82354	0.5
66.37498	0.5
69.28460	0.4
72.08151	3.4
78.61688	0.5
84.05125	1.3
84.05636	37.5
85.78058	0.5
97.83364	0.7
98.06077	0.5
142.50653	0.6
163.03880	2.8
176.11850	2.2
178.13403	0.9
194.12946	1.0
222.12347	4.6
240.13434	100.0
296.06393	0.7
303.87653	0.6
456.81061	0.7
652.24323	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	652.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68894	0.1
54.51588	0.1
57.04561	0.2
57.28092	0.1
67.38104	0.1
72.08169	0.2
77.80310	0.1
84.05634	42.4
85.06429	0.3
92.18433	0.1
93.07085	0.2
96.05627	0.6
110.07183	0.2
119.08642	0.2
133.33286	0.1
134.09630	0.3
163.03922	2.1
168.35333	0.2
176.11821	1.6
178.13455	1.1
180.10133	0.3
182.09229	0.2
194.12901	1.6
204.11334	0.2
205.09723	0.2
218.54521	0.2
222.12384	4.9
229.43233	0.2
240.13423	100.0
263.90039	0.2
331.44711	0.2
388.96094	0.1
413.19293	1.3
441.12604	0.2
588.01654	0.2
652.23688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98439	0.9
70.06595	5.9
72.08163	13.4
83.14783	1.1
83.22318	1.1
84.08152	2.5
85.02901	1.7
100.07617	1.4
105.45184	1.0
112.11270	4.8
113.07162	6.6
114.10296	1.3
123.04465	6.9
127.75670	1.1
144.08044	1.1
146.06068	4.7
155.11792	61.2
161.09482	1.5
163.03922	41.0
165.05533	6.1
172.14467	20.6
176.10399	1.1
187.03932	1.4
188.07057	12.2
189.07487	2.3
205.09824	5.9
220.09685	92.1
221.08061	8.1
222.11383	2.8
236.12820	18.1
238.10710	9.1
265.59070	1.1
279.17242	1.5
293.18756	10.2
310.21268	30.3
336.19232	5.9
381.10175	1.7
396.21603	1.2
472.25156	7.3
634.29694	13.6
652.31036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
54.35145	0.5
54.57021	0.6
55.01871	1.5
56.40549	0.6
57.03429	0.9
61.02937	1.4
64.32944	0.7
69.03435	8.9
71.05009	1.4
72.92803	0.6
73.02925	1.3
81.03436	7.5
83.04986	3.9
85.02909	38.4
87.00837	11.1
87.04503	1.0
89.06009	5.0
95.08625	1.4
97.02903	16.5
99.04460	5.2
99.08092	1.0
101.41045	0.7
105.01875	18.5
105.07023	1.1
107.08607	1.4
109.02880	15.2
109.06517	5.5
111.04449	1.0
111.63274	0.7
119.08604	1.2
121.06533	1.2
121.10162	5.7
123.08073	100.0
127.03924	31.1
127.04879	1.1
129.01753	0.9
133.08607	1.3
135.11678	1.5
137.09554	0.8
145.04951	4.5
147.02797	0.9
147.11723	3.1
149.09592	7.8
151.11209	6.4
159.02864	5.7
163.11147	3.6
165.12743	0.9
167.10600	5.1
181.12279	4.3
189.03931	1.0
189.12825	3.3
207.13821	16.5
213.03908	1.2
225.14865	55.0
231.04996	8.0
249.06056	3.7
393.10077	1.2
437.18066	4.5
455.19281	7.1
473.20245	16.7
535.37897	0.9
652.27979	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	652.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06591	0.5
72.08151	0.6
81.07619	0.6
83.79072	0.5
85.02909	0.6
88.02213	0.9
116.05307	6.4
126.33094	0.7
187.04883	0.9
211.04863	0.8
239.04335	62.1
240.05121	12.6
242.02988	4.1
245.01945	0.6
261.70978	0.6
262.09109	0.7
265.06003	1.1
267.03876	7.2
268.04611	29.1
282.06165	10.0
285.12131	1.0
286.12610	1.1
294.06427	0.7
296.03967	7.4
310.05621	19.6
311.06537	0.8
312.03580	5.7
326.05359	0.8
338.05258	1.1
340.03110	6.9
350.24728	0.7
372.05698	24.5
400.05148	14.2
406.17911	1.1
407.17737	4.0
409.19647	0.9
452.17813	0.9
453.18665	3.1
488.11917	2.4
502.13763	5.9
515.73950	0.7
562.15472	3.1
592.12708	0.9
620.28339	3.3
652.15216	100.0
652.28937	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	651.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	6.5
56.05045	1.5
58.06600	1.0
60.04530	1.6
70.06593	3.5
72.08161	100.0
74.06084	12.9
85.02904	0.8
105.28372	0.7
112.72176	0.8
112.72986	0.9
114.09155	1.0
118.08623	5.5
120.08105	68.7
128.10709	4.0
135.04437	0.8
138.09174	1.0
141.10304	1.5
155.11790	4.3
159.11282	21.4
163.03917	11.8
167.07056	4.5
169.09645	0.9
173.12866	9.6
183.11340	2.9
187.10780	5.7
190.04959	1.2
193.08723	0.9
193.32275	0.7
197.09319	0.8
201.12358	8.8
207.11340	3.5
211.09741	0.9
214.63608	0.8
217.09770	9.1
219.13298	7.1
219.15045	36.3
220.09705	13.1
228.20877	0.8
235.10757	8.0
247.14375	17.6
261.08655	12.4
270.14478	3.5
285.08826	1.5
285.12265	0.8
287.10516	1.4
288.15454	1.3
291.17252	0.9
300.19357	1.2
301.11755	1.9
306.18002	0.9
312.08646	3.1
313.08319	4.8
315.09689	1.7
316.16595	18.1
318.20303	3.8
331.09256	1.8
334.17587	7.2
353.10104	0.9
366.14392	5.4
380.19656	0.9
387.23367	1.6
396.11917	1.4
398.17484	1.1
405.24652	5.8
406.17627	3.0
408.19101	3.4
415.23447	21.3
433.24521	15.3
450.98102	0.9
452.18167	6.1
468.17593	3.4
498.27136	1.5
514.18170	5.0
516.28113	10.0
530.93750	0.9
534.29333	9.8
592.23688	0.9
621.25366	1.5
633.36072	5.1
651.27325	37.1
651.37152	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	651.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09055	0.6
55.05528	5.4
56.05033	2.6
59.32311	0.6
60.04526	1.3
61.14540	0.7
70.06565	0.8
72.08155	100.0
73.07930	0.7
73.52504	0.7
74.06081	14.2
93.07022	0.7
104.16130	0.7
112.07596	0.7
114.09116	0.8
118.08641	3.9
120.08099	71.0
120.56168	0.9
128.10716	4.7
141.10207	2.9
147.98317	0.7
155.11781	3.3
159.11284	19.1
170.09610	0.8
173.12840	10.7
174.12718	0.8
183.11324	1.2
187.10806	7.4
197.09344	0.7
201.12332	9.6
207.11287	4.5
215.10370	1.3
217.09729	8.5
219.13289	8.5
219.14957	37.9
223.04286	1.5
225.03838	1.1
225.74617	0.8
235.10817	6.4
247.14430	20.0
268.13043	0.7
270.14526	2.8
273.19638	0.9
288.15277	2.1
288.17752	0.6
300.19241	0.9
316.16522	17.0
318.20230	1.4
334.17581	5.6
372.18378	0.8
387.23297	4.5
405.24203	7.1
415.23428	25.6
417.21024	0.9
433.24396	14.4
450.65225	0.7
477.13184	0.7
498.26752	3.0
506.30112	1.0
516.28271	11.1
534.29065	10.5
597.33978	0.9
615.34735	1.0
615.57056	0.8
633.35834	3.3
651.20477	1.6
651.37341	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	651.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55684	0.4
52.97722	0.5
58.06590	1.2
70.06596	29.9
72.08160	7.1
82.67188	0.5
84.08150	3.3
86.09688	0.8
95.01965	0.5
98.09686	2.7
100.07610	6.6
110.09686	7.1
111.55360	0.6
112.11244	7.4
114.12852	0.6
123.04431	23.9
127.03984	0.6
129.13887	0.9
129.18916	0.5
136.07581	1.1
137.06010	1.1
153.10277	0.6
155.11813	0.5
163.03909	4.0
164.04317	0.6
164.07057	1.0
165.05467	22.4
167.07004	1.1
177.05492	0.8
181.40718	0.5
181.44229	0.5
212.42615	0.5
220.09702	4.1
221.10086	0.8
221.12926	0.7
222.11258	90.4
224.57835	0.5
236.12914	1.0
271.06207	0.6
293.18552	0.7
300.08667	21.4
302.10129	9.2
311.10394	1.0
312.08734	2.9
313.09424	6.9
314.10214	0.9
316.11716	0.9
327.09940	3.3
328.08334	2.7
330.09784	0.6
342.09729	7.6
342.13602	0.7
344.11203	4.7
382.21304	2.3
399.15720	2.4
413.17310	3.2
458.55508	0.5
470.22791	2.5
505.02106	0.6
621.25470	0.6
651.30292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61509	0.6
56.06437	0.6
57.75460	0.5
58.06601	0.8
70.06591	3.8
72.08155	11.8
73.80028	0.7
75.09261	0.9
84.08160	0.7
90.54968	0.7
98.06089	0.9
107.60149	0.7
112.11255	2.7
121.73817	0.6
126.38261	0.6
129.13904	2.8
145.02887	2.7
146.16554	0.9
155.11787	11.7
161.64319	0.6
162.05524	1.4
163.03899	49.5
164.07089	0.7
167.07129	3.2
168.06587	3.0
169.07309	4.4
172.14532	3.0
181.50896	0.8
189.97646	0.7
190.05008	10.7
193.08672	1.2
200.98419	0.7
215.69617	0.7
220.09689	66.6
237.12379	0.7
237.62950	0.7
241.07234	0.9
249.93279	0.6
255.09117	0.8
261.08804	1.4
268.06064	0.9
269.06979	1.3
270.07602	0.7
280.06244	1.2
283.08337	0.9
284.09158	6.4
284.11945	0.8
285.12360	8.7
287.10400	1.0
291.17059	2.6
295.08682	0.8
296.05658	0.9
297.06427	2.5
298.07159	1.4
302.10309	3.8
308.19714	3.4
311.07965	2.7
312.08661	11.7
313.09439	1.0
314.10312	0.8
315.09918	3.0
317.11514	3.2
317.15027	0.7
326.10416	2.3
329.08929	6.3
334.17603	1.2
344.11423	5.9
362.18906	3.7
380.19858	3.9
401.04691	0.7
406.17633	23.6
406.22556	1.2
408.19147	10.9
426.20532	1.3
452.18146	34.9
452.24057	1.3
472.24893	1.1
482.19379	1.0
514.18628	1.1
575.25659	0.7
621.25934	4.3
651.29083	100.0
668.43939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58040	0.6
58.90749	0.6
60.58658	0.6
72.62301	0.6
114.96925	0.7
138.09125	1.5
164.10747	3.5
184.75226	0.7
192.10201	3.3
194.93852	0.6
195.10158	1.2
204.10196	4.1
210.11269	6.4
222.11267	1.6
231.11339	1.2
240.12372	1.1
249.12408	1.5
260.07797	1.4
261.08667	9.8
274.09308	0.8
275.10236	100.0
285.12396	5.1
299.10281	3.2
301.11841	19.3
315.13480	3.6
327.09717	11.8
331.09189	1.3
345.10800	13.9
347.12402	8.2
390.18216	7.2
402.18167	5.7
406.17596	24.1
408.19247	4.2
412.18619	16.4
425.54037	0.7
426.20538	0.9
436.18744	4.0
440.21851	1.6
448.18643	0.7
452.18149	16.0
466.19849	10.2
482.19168	4.1
484.20865	3.6
496.20663	1.0
508.17249	0.9
541.17877	0.8
589.26477	5.2
615.27734	0.8
619.27759	7.5
621.29199	39.3
633.29120	16.3
651.30359	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85835	1.1
55.87075	1.1
59.16404	1.2
63.08573	1.2
63.74738	1.2
66.40340	1.0
74.63181	1.2
94.04523	1.1
97.78765	1.3
99.40047	1.3
105.06992	1.4
126.94723	1.2
171.10701	1.3
192.10202	1.2
217.09784	1.7
220.30022	1.3
235.10863	1.7
257.09308	1.7
261.08710	100.0
285.08679	17.7
301.12012	2.0
313.08203	36.2
345.10828	37.7
350.99417	1.1
369.63739	1.2
398.16971	13.1
406.17639	16.1
434.17090	1.6
436.19009	2.0
451.90448	1.3
466.19763	20.9
482.19156	10.2
496.20660	5.6
603.27869	2.3
633.19446	1.5
633.29205	37.9
651.30408	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	651.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60787	1.0
70.06599	2.3
71.20443	0.9
72.08161	5.8
79.81778	1.0
85.84111	0.9
111.48843	1.0
112.35738	1.0
139.23895	1.1
160.94463	1.0
163.03951	1.9
164.07149	1.0
220.09708	4.3
222.11394	1.4
261.08804	1.5
265.07919	1.0
284.11636	1.6
285.12350	46.4
301.12006	4.4
302.10226	1.4
362.18787	2.0
390.18237	1.5
391.15375	1.6
401.17279	5.8
406.17645	100.0
408.19220	38.5
426.20511	1.7
434.17365	1.7
451.17203	1.7
452.18179	86.4
466.19858	2.3
482.19333	7.2
484.20853	17.5
514.21838	12.8
589.27386	1.2
619.27631	58.1
621.28986	1.7
651.30341	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20752	0.5
59.38840	0.6
63.45999	0.5
63.67633	0.5
66.74711	0.6
68.69778	0.7
76.42614	0.6
92.18379	1.4
120.09149	0.6
165.10944	0.6
192.10204	3.0
206.11717	1.0
213.21925	0.6
217.09738	3.2
224.12621	1.1
233.09225	0.6
235.10909	0.9
244.11554	0.6
257.09216	3.4
261.08698	100.0
285.08676	24.3
301.11859	1.4
313.08170	46.6
345.10788	33.1
345.15005	1.2
398.12274	0.6
398.17108	19.2
406.17612	8.2
426.20270	0.8
434.16824	0.6
440.22015	0.6
452.18576	0.9
458.22025	0.7
466.19745	11.9
482.19199	19.8
496.21198	2.7
589.26245	0.7
594.53326	0.7
603.28192	3.0
621.28717	3.2
633.29272	23.8
651.30225	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37206	5.4
81.07031	7.2
85.02906	6.4
97.33809	4.8
105.07067	6.6
145.02847	41.6
151.03888	7.6
159.41348	6.1
167.07079	8.6
175.40181	5.5
177.05453	44.0
180.54312	4.9
181.04968	76.9
186.09167	10.5
186.48874	6.4
208.07309	24.4
231.46301	6.4
233.12878	7.9
261.08713	73.2
275.10306	31.2
301.11884	89.2
315.13214	9.0
347.12436	24.0
401.12402	35.9
406.17636	52.4
452.18088	70.8
466.19705	23.8
589.26624	24.3
621.29230	100.0
651.30444	61.6
656.84808	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	651.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28114	1.0
59.20021	1.0
72.08170	2.1
73.88497	1.1
81.03445	1.3
84.08168	1.1
97.02846	1.2
107.07378	4.7
110.06042	2.0
112.00560	1.1
122.06085	2.7
122.09664	100.0
124.07650	1.7
124.11237	15.2
134.06027	1.2
136.07573	2.0
138.09164	1.5
140.07085	1.5
150.05537	5.0
150.09189	7.2
152.07109	6.5
162.05573	1.4
163.03947	2.3
163.23657	1.2
164.07143	5.0
176.10774	2.5
177.06622	1.7
178.05078	7.3
196.06081	2.0
202.12311	1.5
203.08299	1.8
204.06734	1.4
204.10242	1.8
217.09755	1.9
230.08235	4.6
231.10251	1.7
232.74203	1.2
233.09398	1.5
235.10739	22.8
235.12909	1.4
239.98412	1.1
245.09212	11.9
248.09189	1.7
251.10294	1.4
253.11974	2.0
255.11400	4.6
259.11130	1.3
261.08746	2.7
262.10947	1.2
263.10269	20.7
271.07211	1.2
277.12030	5.2
278.39084	1.2
287.10397	6.5
297.12555	1.7
301.11850	2.5
303.13382	1.4
305.11395	10.7
307.12857	8.1
315.13379	48.6
316.14252	1.7
319.12991	2.0
329.11456	2.5
348.81552	1.3
362.18909	1.7
364.20355	5.5
378.18390	7.8
380.19968	2.1
391.15030	1.9
392.19736	2.7
396.19537	5.5
406.17645	31.3
420.19177	1.7
422.21149	2.5
428.22043	7.0
438.20422	7.0
440.21997	5.5
442.19742	1.3
454.20276	1.3
456.21332	14.1
466.19727	67.4
482.19391	12.0
484.21497	1.5
496.20969	2.5
577.27222	2.1
603.27856	2.3
605.25812	2.4
621.29175	12.2
623.27020	13.5
633.25482	14.1
651.29852	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.266
Annotation	15-Hydroxyansamitocin P-3
Peak:m/z	Relative Intensity
56.07436	0.4
57.23169	0.4
70.06617	1.1
72.08155	0.9
78.54503	0.4
81.21288	0.5
84.08119	0.5
85.02932	0.9
89.08067	0.6
97.06547	0.6
98.06043	0.5
109.26553	0.5
110.05991	0.8
111.09947	0.5
113.20129	0.5
115.90099	0.5
120.08089	0.7
154.05005	0.5
162.05313	0.6
163.03873	0.7
169.19637	0.6
174.09111	0.8
178.04930	0.8
202.58731	0.5
217.09705	0.9
242.11758	0.7
257.12860	1.2
261.08752	6.6
262.17212	0.5
263.10168	0.7
269.09409	0.6
285.12323	1.2
287.10242	2.4
301.11880	6.8
305.16406	0.6
329.11313	0.8
329.66309	0.6
348.23602	0.5
365.14041	0.6
365.18622	1.1
380.19760	1.0
386.08459	0.5
394.17639	2.9
406.17722	4.2
408.19479	2.1
416.19699	0.7
424.22614	1.0
426.20230	1.2
430.16129	0.8
434.17242	2.2
435.18231	2.2
436.18719	13.9
452.18109	7.8
454.19843	7.3
468.21417	1.1
470.18997	0.6
494.19547	0.8
497.21927	2.0
499.23593	2.2
501.43777	0.5
515.23022	1.2
517.24451	8.1
520.20917	2.1
557.24231	6.1
559.25531	19.2
577.26520	3.8
585.23651	0.7
603.24402	9.7
621.25732	11.9
633.25397	7.8
651.26660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78535	0.4
72.08167	0.7
85.73829	0.4
88.14078	0.4
89.50577	0.4
110.06054	0.8
124.07557	0.7
144.95721	0.4
154.05042	1.0
164.07071	0.5
172.09706	2.6
235.10832	0.7
241.13454	0.6
259.14279	0.7
261.08752	3.3
284.11697	0.6
285.09180	0.9
285.12332	11.9
287.10263	4.0
313.08191	3.7
315.09732	10.1
317.11301	0.9
362.18817	6.1
364.20135	1.0
380.19580	6.0
382.21274	2.4
406.17615	36.9
408.19183	14.5
418.17908	0.6
422.20807	2.3
426.20227	4.1
436.18796	0.8
452.18179	54.1
482.19736	0.6
514.18439	2.0
575.24854	0.8
603.24005	0.5
621.25519	7.3
633.25354	0.5
649.31268	0.4
651.26666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04202	1.5
69.07108	2.2
79.05441	1.9
81.07051	6.9
83.08623	2.8
83.44341	1.6
85.71654	1.7
91.20353	1.7
105.07050	2.2
120.08070	2.5
127.03913	4.0
131.08583	2.5
135.11780	2.0
137.05986	71.1
151.03915	11.3
151.07584	11.2
161.05980	2.5
167.07016	2.9
186.09076	2.7
201.05466	80.4
201.07239	3.4
213.05476	13.2
234.06743	2.6
235.07391	2.4
237.09117	3.9
237.49933	2.1
245.06070	3.2
249.09134	8.1
259.07672	2.1
262.06293	12.3
263.07022	2.4
264.07999	2.4
265.08578	4.3
273.07730	2.9
274.06201	4.0
277.08603	42.1
279.13354	13.7
280.07227	2.0
287.07220	2.1
290.05743	63.8
292.07294	4.3
293.08090	10.5
294.08752	7.6
295.09671	4.3
305.08087	93.5
307.09753	14.0
309.11179	2.8
319.09726	3.5
320.07016	2.1
322.08563	8.9
325.10632	17.0
335.09171	3.4
337.10709	100.0
349.23828	9.0
355.11789	77.6
367.11874	2.6
367.24731	14.5
385.12918	2.2
403.26938	2.6
588.38678	3.7
651.25848	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	651.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05616	0.7
57.93373	0.7
72.08161	28.3
81.03424	5.1
85.02891	1.7
89.10799	3.4
98.06079	7.6
109.02851	1.5
115.08702	5.0
138.42705	1.0
163.03883	1.1
182.99579	0.9
187.03915	1.3
200.23260	0.8
207.02875	1.1
227.07034	1.5
237.05379	2.6
239.03479	0.9
242.79059	0.9
243.06572	1.8
249.05540	0.9
251.03410	1.0
251.07118	3.5
253.04836	1.6
255.06512	3.1
263.03497	1.9
264.04083	1.0
265.04834	5.9
267.06454	8.0
269.04456	1.4
269.08051	1.4
271.05905	1.6
279.06512	5.4
281.04462	4.8
281.07639	0.9
283.03140	0.9
283.06061	5.3
285.07324	1.4
291.02954	3.1
292.03787	1.4
293.04404	1.9
295.05960	14.2
297.07684	3.1
299.05527	1.7
306.05249	1.0
307.05963	1.1
309.03983	5.2
311.05487	1.1
313.07089	3.3
319.02383	1.1
323.05469	9.9
325.07092	1.1
327.05130	3.2
337.07312	2.7
341.06665	3.3
351.05029	13.2
365.06308	1.4
369.05814	2.7
383.07684	5.3
401.08542	1.1
432.60376	0.9
471.17419	1.1
624.31934	0.9
651.23962	100.0
665.30469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52190	0.6
61.21442	0.7
64.73736	0.7
69.03442	1.4
70.06580	1.1
72.08167	31.9
75.04503	0.7
81.03436	6.6
85.02895	1.5
89.10798	1.9
98.06068	3.6
109.02903	4.0
115.08696	1.6
163.03896	1.0
206.62160	0.8
207.03009	1.0
211.07616	0.8
227.07079	1.0
237.05476	1.8
243.06450	0.9
251.07086	1.3
253.05057	3.5
255.06526	4.1
263.03345	1.4
265.05066	4.7
267.06610	4.2
269.04535	1.5
269.08139	3.9
271.06149	1.0
279.06641	4.2
281.04480	10.1
282.05319	1.3
282.66522	0.9
283.06064	9.8
291.03055	1.5
293.04471	1.8
295.06015	7.7
297.07724	3.8
299.05692	1.3
307.05899	1.0
309.03949	16.1
311.05453	1.4
313.07077	4.6
323.05548	8.7
325.07181	3.1
337.06976	1.8
341.06775	1.4
350.06662	0.9
351.04947	7.2
355.08249	1.8
369.06152	5.2
373.64349	0.8
375.00421	1.0
383.07578	7.5
401.08826	1.3
608.11865	0.8
651.23999	100.0
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
60.08155	3.9
67.47635	0.6
71.07323	0.8
86.09713	23.6
86.10233	0.9
91.58063	0.6
104.10746	0.7
124.99997	10.4
182.70462	0.6
184.07344	100.0
244.31552	0.6
263.65878	0.7
380.15213	0.6
397.99219	0.6
477.96863	0.8
633.51654	0.8
650.43866	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	650.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62211	0.5
58.06611	0.7
61.84845	0.5
70.06589	1.4
72.08172	7.9
74.36009	0.7
84.08144	1.2
85.02928	2.3
86.09715	1.2
97.02925	0.8
98.06068	0.6
100.07637	4.9
101.07137	0.6
121.34938	0.6
123.04441	4.6
129.10243	1.4
137.05986	24.8
151.07512	0.7
165.05467	5.0
177.05452	1.0
179.07066	9.5
222.11278	13.6
234.11485	0.7
235.14349	0.9
236.12816	100.0
265.15375	0.8
293.18759	2.2
307.20316	1.0
310.21249	0.8
328.13110	0.6
384.16757	0.8
470.26361	1.0
471.25049	1.0
488.27579	7.1
492.98465	0.7
650.32953	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	650.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62277	1.0
55.17937	0.9
57.05511	0.8
57.73221	0.8
58.02587	0.8
60.18083	0.8
62.85351	0.9
68.46659	0.9
69.93666	0.9
70.06607	7.2
72.08170	7.7
72.29324	0.9
84.08141	2.3
85.02895	1.1
112.22386	1.1
123.04465	1.8
127.03929	1.3
135.04440	1.0
137.81870	1.1
145.02853	4.2
155.11777	2.2
163.03923	7.6
170.09683	4.2
171.10402	1.7
177.05469	9.0
183.06467	1.5
203.11444	1.0
217.71040	1.2
220.09697	2.1
222.89635	1.0
259.14380	8.7
365.12781	1.0
365.17328	1.4
380.19699	63.9
382.21323	9.6
426.20245	100.0
439.31879	1.1
566.17834	1.1
575.83020	1.1
620.26044	26.1
650.27185	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48784	0.8
58.06598	0.9
65.58278	0.9
65.68889	0.9
85.25577	0.9
87.28535	0.9
110.91278	1.1
115.11180	1.0
131.04926	3.9
144.08089	24.1
158.09709	0.9
170.09644	100.0
171.10449	22.1
178.29402	1.0
201.13898	6.3
202.14632	11.5
211.58696	1.1
229.86530	0.9
235.10782	3.6
319.12869	1.7
349.10922	1.1
649.22833	3.4
649.33777	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	649.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75385	3.8
56.13105	3.9
62.11641	4.4
64.79177	4.3
69.30220	4.4
74.72339	4.6
99.04671	5.0
108.53968	4.8
245.07761	4.6
248.11566	7.4
249.12352	100.0
275.13834	11.1
301.11819	19.1
319.12955	28.4
321.14493	25.3
380.19278	6.6
382.21371	5.7
410.17084	20.4
426.20361	10.6
440.21558	23.2
480.17957	5.2
619.27393	26.9
631.27820	9.6
649.28845	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60343	0.4
58.06606	0.8
70.06597	28.5
72.08158	6.8
74.49159	0.5
84.08134	3.8
86.09720	0.6
98.06075	0.6
98.09695	6.0
110.09679	5.5
112.11254	8.8
117.03370	1.8
119.08578	0.5
129.13890	3.0
133.10179	0.5
135.04408	2.5
141.10292	0.8
145.02803	3.9
153.10266	0.6
155.11801	1.9
163.03896	83.1
170.09610	1.0
189.86925	0.5
190.05003	0.7
193.08632	0.6
202.17834	0.5
205.91243	0.4
219.11369	0.7
220.09680	66.2
221.08205	1.0
228.42645	0.6
270.07855	0.5
273.10284	0.7
274.10535	0.7
300.08621	14.0
302.10229	9.6
312.08734	4.8
313.09424	7.5
314.10217	0.6
316.11932	1.7
327.09750	6.1
328.08167	5.1
329.08948	0.8
342.09756	5.4
344.11249	7.4
367.12811	0.5
413.17154	3.3
426.20270	0.6
438.19946	1.9
458.22336	0.6
470.22888	2.0
566.24255	0.6
640.76874	0.6
649.28656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71309	2.1
51.05741	2.5
51.66959	1.9
85.56482	2.6
90.22499	2.8
100.85920	2.9
116.24712	2.2
119.08607	3.6
125.07214	2.6
138.09100	4.1
162.05478	6.4
170.09622	5.7
192.10243	2.9
204.10179	3.3
234.09964	5.8
235.10796	67.1
248.11586	5.0
249.12282	30.7
275.13907	41.5
287.10254	4.7
301.11630	3.5
319.12970	17.7
321.14487	35.0
323.95319	2.8
380.19583	21.1
382.21161	4.3
396.15579	5.3
408.19092	4.5
410.16861	3.8
426.20230	76.5
440.21964	36.7
456.74402	3.3
458.22815	11.6
498.06934	2.8
498.65720	3.4
587.24860	13.2
619.27557	100.0
649.28638	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85971	0.7
65.76924	0.9
66.43425	0.8
70.06592	1.6
72.08154	1.5
81.07056	0.9
105.07025	1.1
122.06028	8.1
138.05547	1.0
138.09143	10.8
163.03899	2.0
165.05472	1.1
170.09651	1.3
222.00870	0.8
222.11246	4.7
234.51125	0.9
237.10240	1.2
241.09846	0.9
253.09735	1.5
259.14453	1.0
265.09778	6.4
267.08054	1.7
267.11316	10.3
280.08533	1.0
281.09201	15.1
284.11566	4.8
285.12335	6.2
286.12991	0.9
293.09216	21.3
294.10031	5.7
295.10715	16.3
299.10294	1.2
302.12500	1.6
311.10263	18.7
312.11160	3.5
313.11777	18.1
316.10403	1.1
321.08667	28.9
322.09488	5.3
323.10266	1.2
329.11304	4.1
339.09741	100.0
340.10614	7.4
341.11392	13.4
344.13550	4.2
357.10770	6.6
371.12329	17.6
372.13129	20.0
373.13882	1.9
389.13428	42.3
405.61588	0.9
408.19098	1.7
482.19073	1.3
508.26303	1.5
581.23645	1.5
599.24963	22.0
605.33154	4.7
617.26495	1.2
631.27698	33.4
649.28839	9.9
653.67810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02255	0.6
70.06606	1.4
94.06541	0.9
122.06049	4.3
138.09146	4.5
140.30870	0.7
146.06058	0.7
160.57597	0.9
184.06073	4.6
237.10353	1.0
265.09781	4.5
267.11331	7.1
269.09207	2.7
279.46558	0.7
280.08286	1.4
281.09164	1.7
283.10843	1.6
284.11661	3.9
285.12387	1.4
293.09225	27.9
294.09866	1.1
295.10800	14.3
297.09006	1.0
299.10654	0.8
302.12653	1.6
311.10211	8.9
312.08459	1.4
313.11853	8.0
321.08707	27.9
322.09381	1.0
325.12161	1.0
329.11374	7.1
330.12097	1.0
339.09756	71.2
340.10623	2.8
341.11197	4.4
344.13647	2.9
357.10818	6.2
358.11496	1.2
371.12323	7.7
372.13077	7.7
389.13446	100.0
422.68695	0.8
506.97635	0.8
599.24927	3.5
611.03375	0.8
617.26312	4.2
631.27661	12.1
649.28650	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	649.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15447	1.0
60.18398	1.1
61.87931	0.9
66.19849	1.2
72.08148	1.0
81.07085	1.3
109.91978	1.1
122.06059	2.0
138.09154	5.5
164.07118	1.5
167.07074	1.8
176.94464	1.2
210.11140	1.2
213.10289	1.5
216.18286	1.3
236.40440	1.2
249.12430	2.6
261.08850	2.2
265.09686	2.4
267.11334	5.8
273.08752	5.1
275.13840	1.1
281.09241	2.8
284.11621	2.6
293.09216	34.6
295.10840	14.6
301.11874	6.5
302.12601	2.6
311.10272	7.9
313.11984	10.5
321.08713	31.6
329.11438	2.5
339.09772	79.9
341.11197	1.6
344.13708	2.1
345.10788	1.3
357.10806	1.6
371.12280	5.7
372.13226	8.3
389.13431	100.0
399.07916	1.2
406.17465	9.3
418.17603	6.4
420.19183	2.7
434.16861	1.9
436.19067	1.8
452.18259	4.6
464.18051	15.9
494.19122	6.7
535.58600	1.4
599.25098	1.6
610.73645	1.4
619.26404	1.2
631.17188	2.0
631.27612	46.2
649.28613	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	649.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41059	0.8
52.59399	0.8
61.91542	0.8
70.06573	3.7
72.08145	7.6
74.16685	0.9
82.49238	0.8
84.08096	0.8
90.93514	1.1
92.35851	1.0
103.05418	1.3
113.07104	0.9
117.62358	0.9
118.54253	0.9
131.04950	7.2
132.05682	6.1
133.06503	1.9
147.04385	1.0
148.05234	1.4
153.05428	1.2
155.11781	4.6
159.04495	1.1
160.05164	7.9
161.05968	19.0
163.03896	4.1
163.07516	1.9
167.07018	5.6
170.09541	1.3
175.03841	1.0
177.05394	2.0
181.08598	2.3
184.01952	9.4
191.07010	20.7
192.07813	65.2
193.03226	1.5
193.08650	9.8
199.04138	28.5
207.06595	3.6
208.01880	4.1
209.02699	1.5
223.04233	100.0
224.05009	27.7
263.10327	1.3
305.11368	1.2
321.07480	1.5
353.10349	4.4
385.07367	11.3
457.09549	8.2
501.20453	5.4
545.19824	11.1
563.20404	1.9
605.21832	3.9
649.20306	61.9
649.28986	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	648.376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	1.8
70.06578	1.4
88.31439	1.0
91.20367	1.1
144.08098	26.0
151.55341	1.0
158.09648	1.5
167.06992	1.0
167.12311	0.9
170.09648	100.0
171.10425	38.3
201.13905	6.1
202.14661	47.7
224.14420	1.3
254.15506	4.6
285.19608	44.7
301.19186	2.4
315.20746	6.7
348.38046	1.1
585.38037	93.7
648.26788	2.2
648.37323	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	648.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53070	0.4
58.06598	1.1
63.30503	0.4
73.31563	0.5
85.07013	0.5
86.09715	4.4
87.53089	0.5
128.54774	0.6
129.06587	0.7
130.55937	0.6
143.11769	0.7
144.08124	0.9
160.07573	27.3
160.09624	0.7
170.09633	4.0
171.07442	0.6
174.09094	8.3
186.09146	91.3
187.09932	35.6
191.89636	0.6
194.19719	0.5
197.12857	0.9
200.10776	5.0
201.11516	4.2
201.13857	1.2
202.11055	2.4
202.14558	0.7
203.11853	2.2
210.12709	1.0
213.13855	2.0
214.12222	0.6
217.13382	6.9
218.12067	1.1
218.14160	29.1
232.15741	4.7
239.65019	0.6
241.14677	0.7
253.16895	0.7
269.20215	3.7
271.17892	1.0
271.24649	0.6
285.19763	1.1
335.52216	0.8
367.23901	0.8
368.20959	2.2
550.67834	0.7
570.35712	2.1
585.38007	100.0
648.37329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44791	0.7
58.06588	2.0
70.06593	3.2
72.08147	2.1
76.01284	0.8
76.40808	0.9
79.73345	0.7
84.08148	1.1
100.94997	1.2
107.04962	7.1
144.08081	27.2
155.11798	4.0
158.09612	1.7
163.03999	0.9
167.06990	11.0
170.09634	100.0
171.10413	38.3
185.60797	0.8
187.12096	1.3
201.13882	5.9
202.14638	42.6
224.14320	1.5
254.15431	4.3
285.19580	46.6
297.64850	0.9
301.19183	4.1
315.20645	4.6
335.60690	1.0
364.07996	3.8
385.25140	1.2
399.41077	0.9
563.59674	0.9
576.33020	0.9
585.37994	90.6
648.26587	11.9
648.37384	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	648.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44193	0.4
58.06601	1.3
63.83269	0.4
70.06590	0.6
70.44695	0.5
71.58699	0.6
74.19466	0.4
74.46814	0.4
75.92296	0.6
84.04449	0.6
88.80273	0.5
89.77502	0.5
95.15455	0.6
98.05985	0.5
106.56307	0.6
130.04974	0.5
133.37521	0.5
144.08098	0.9
160.07568	33.7
170.09644	3.2
171.10445	0.7
174.09119	8.3
183.05797	0.6
186.09143	99.4
187.09918	37.4
199.12338	0.7
200.10693	5.0
201.11533	3.7
201.13817	1.2
202.10953	2.2
202.14806	0.9
203.11850	2.1
210.12885	0.9
213.13857	2.2
217.13373	6.9
218.14142	36.1
231.14905	0.6
232.15692	4.5
260.51804	0.5
271.18066	1.1
275.38168	0.6
285.19461	1.0
293.26962	0.5
357.33228	0.7
367.23865	1.3
368.20953	0.9
385.24829	1.0
437.66733	0.6
542.42255	0.6
551.66632	0.6
570.35541	1.1
585.37994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	2.2
58.08503	0.4
61.70104	0.3
61.88347	0.4
69.67348	0.5
71.61188	0.5
104.96577	0.5
114.09171	4.8
144.08080	1.7
154.82962	0.5
158.09673	0.8
160.07576	33.3
161.08345	0.4
170.09656	5.0
171.10434	0.7
174.09152	5.3
186.09142	98.4
186.62659	0.4
187.09926	37.8
199.12239	1.1
200.10756	5.6
201.11519	2.2
201.13875	1.9
202.11082	0.9
202.14656	2.2
203.11775	1.9
209.16394	0.6
210.12746	0.9
211.12187	0.6
213.13887	2.4
217.13342	5.8
218.14140	38.6
228.15923	0.7
232.15736	4.6
241.14671	1.0
241.17088	0.6
271.18137	0.8
285.19598	1.1
287.21146	1.1
367.23846	0.8
368.20728	0.7
371.97388	0.5
384.24063	0.6
385.25000	1.1
585.37994	100.0
648.15289	2.5
648.48431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96548	0.7
58.06588	0.8
69.03461	0.9
70.06606	4.9
72.08161	9.6
84.08154	2.7
85.02914	3.5
98.06059	3.2
110.09676	0.7
112.11267	7.0
114.10293	3.8
115.08669	1.4
116.58672	0.7
117.03401	2.7
122.59334	0.6
123.04428	1.5
127.03915	0.8
129.13869	3.2
131.12924	1.2
135.04385	1.3
137.05994	2.9
145.02869	27.3
147.04433	0.9
149.06010	1.1
150.06679	1.0
155.11778	4.2
163.03903	58.4
164.04347	0.7
165.05473	2.9
177.05473	81.1
177.48831	0.6
178.05832	4.8
187.03917	1.1
188.04280	0.9
220.09677	45.4
222.11258	3.0
233.68669	0.6
234.11252	50.2
236.12769	9.8
248.12793	0.9
250.14348	3.5
253.15533	0.9
264.56006	0.7
277.15262	0.7
281.06601	0.9
290.14886	0.8
293.18579	10.9
300.14835	0.7
307.17209	1.2
307.20251	4.2
308.18149	1.1
310.21268	21.7
311.09225	1.5
312.09515	1.4
324.19156	1.0
324.22757	8.9
339.21658	2.7
382.15231	1.5
468.25082	0.9
469.23294	1.2
472.26135	1.0
486.26242	5.6
630.26520	1.4
638.20404	0.7
648.32050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12703	0.6
58.06600	1.0
69.22794	0.6
70.06597	2.8
72.08159	6.9
83.00906	0.7
84.08139	0.8
85.02937	2.6
97.02914	0.9
98.06081	1.6
112.11238	6.2
114.10336	0.8
117.03407	3.5
123.04475	2.8
127.03989	0.8
129.13885	0.7
135.04434	2.7
137.06021	3.6
145.02855	21.5
149.06052	0.8
155.11871	3.3
156.28008	0.8
163.03896	49.5
165.05510	2.8
177.05466	60.9
178.94406	0.7
193.05038	1.1
220.09683	37.9
222.11334	3.4
232.70717	0.7
234.11244	39.7
236.12846	9.1
250.14478	3.5
253.15462	0.9
268.86337	0.7
293.18542	10.7
307.20419	3.1
310.21259	19.8
310.24738	0.9
324.22781	7.0
382.15469	0.7
386.37006	0.7
445.51331	0.8
469.23175	0.9
472.26807	1.0
486.26328	4.4
648.31567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64735	0.6
52.25314	0.6
55.01881	0.8
57.03445	3.4
57.94999	0.7
60.64966	0.6
61.02955	6.6
69.03441	9.6
71.04986	1.3
73.02923	1.3
81.03433	4.7
85.02913	100.0
87.04476	1.5
91.03964	7.2
97.02896	22.4
99.04472	5.6
106.66014	0.9
109.02882	10.1
127.03926	25.7
143.07414	1.1
144.08098	52.2
145.02895	1.4
145.04967	29.5
145.06119	1.3
156.08044	1.0
158.09641	10.8
160.07547	1.5
162.07782	1.1
162.09149	31.5
163.06020	12.7
168.08122	1.0
172.07610	1.0
177.05437	5.5
184.07651	1.1
186.09164	22.9
204.10204	16.7
228.10429	1.3
234.11272	4.3
270.11353	1.3
288.12424	6.8
289.09216	1.0
306.13351	8.0
306.83990	1.0
324.14420	10.5
325.11316	17.3
366.15283	1.4
468.18695	1.0
486.20123	1.2
648.30682	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	648.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.2
54.81607	0.1
55.15136	0.1
56.05418	0.1
70.06593	0.2
72.08134	0.1
77.03947	0.1
79.05501	2.0
80.47316	0.1
85.02913	0.3
91.37357	0.2
95.04970	0.3
97.02863	0.2
98.59978	0.1
100.86636	0.2
103.05493	1.3
105.07036	100.0
122.09669	51.3
149.80794	0.2
182.36258	0.2
205.42499	0.2
486.92664	0.2
536.42236	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.3
56.07994	0.7
57.37111	0.7
60.04512	0.9
61.23221	0.7
70.02959	25.3
74.02454	1.2
76.04015	8.3
81.03425	0.8
81.31126	0.7
84.04510	7.7
85.02946	1.0
88.03981	1.3
90.30721	0.8
99.05585	6.8
102.05531	1.0
109.02865	0.9
116.03477	3.3
119.97655	0.7
129.06619	4.8
130.04964	5.8
137.07076	1.1
145.06085	100.0
149.00610	1.3
150.43745	0.8
153.06616	5.3
155.08168	4.7
160.00623	1.1
165.06630	1.1
169.06107	1.1
174.03908	3.7
179.01605	6.0
179.06995	0.9
181.06085	1.4
182.30696	0.7
183.07590	1.1
192.99684	1.1
193.03181	1.4
194.02728	7.1
195.01117	17.7
199.07130	11.7
207.01073	10.1
208.04294	3.8
211.07133	14.6
219.01042	5.7
232.28246	0.9
236.03751	7.4
237.02097	1.4
264.03268	16.4
274.10449	4.7
297.05405	1.6
306.08237	0.9
321.05493	0.9
339.06509	3.4
365.10687	0.9
393.07520	8.3
416.10550	1.0
468.10605	6.6
476.07648	0.7
519.12653	5.7
573.14032	4.2
648.17090	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	647.3449
Annotation	Chondramide A
Peak:m/z	Relative Intensity
55.03117	0.9
58.06601	6.7
59.07388	1.2
60.08175	19.4
65.03938	1.2
67.05505	1.1
78.88470	1.0
84.08138	5.5
91.05491	3.6
92.17910	1.2
94.42753	1.2
95.04973	6.1
103.05479	1.6
105.07034	5.3
108.12244	0.9
110.06017	1.3
114.09171	1.3
115.05482	1.0
117.07048	1.0
119.04919	1.1
120.08171	7.2
124.07580	1.2
130.06522	1.0
131.04948	20.0
136.07605	4.3
146.06023	1.3
148.07596	6.3
148.11253	2.0
150.09122	1.1
160.07590	6.7
164.77382	1.0
165.05505	1.7
173.09604	4.6
175.08743	4.1
177.09114	18.0
179.09839	0.9
186.09126	2.1
189.05511	1.6
189.09164	4.5
190.12303	7.2
202.12247	10.0
207.14961	5.5
214.12248	5.3
216.13853	1.2
219.10223	7.2
231.10191	2.1
248.12883	1.8
257.12506	1.2
275.21283	4.8
324.14108	1.0
409.24915	1.2
439.72110	1.0
454.27271	1.5
483.53360	1.1
510.63477	0.9
603.34875	2.4
628.45380	1.1
647.34412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02465	1.1
93.03429	2.5
95.04945	1.2
103.78638	1.2
105.07094	1.4
106.04182	6.0
119.99132	1.2
121.06533	11.9
123.04406	1.3
125.06030	1.3
133.06529	2.1
137.05957	2.4
144.08090	1.9
149.05977	33.3
153.09131	3.0
161.06027	2.1
165.05498	1.8
167.07043	100.0
170.09621	11.1
171.10072	5.6
172.10413	1.5
177.05446	11.9
181.04984	12.4
181.08588	19.7
191.07071	1.9
193.08592	12.0
209.08092	19.1
211.09645	52.1
223.09531	1.4
225.07613	6.0
309.93317	1.5
647.35657	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	647.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12354	1.5
69.03432	10.1
69.49388	1.6
70.87167	1.6
71.43661	1.8
72.04505	8.5
72.08152	17.9
77.78606	1.7
85.02913	53.7
89.37204	1.7
91.03918	1.9
95.73631	2.0
97.02908	17.0
109.02870	2.8
109.06475	1.9
114.09170	88.9
127.03923	14.6
128.04561	2.6
138.10268	15.2
145.04988	9.1
160.07590	8.9
161.07919	3.0
164.08234	2.1
174.10324	7.8
179.33934	1.7
180.07716	10.3
182.09242	51.1
192.11275	23.4
197.13947	17.0
223.11914	20.9
241.12939	92.0
270.27908	1.8
277.20197	2.4
287.18692	8.1
295.21387	2.6
305.19736	95.6
323.20767	57.8
353.21884	11.2
485.25955	30.5
647.31415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41234	0.5
55.01870	5.2
60.05639	0.6
60.67305	0.5
70.06595	4.6
72.04480	0.5
72.08159	8.8
76.01286	0.5
79.88886	0.5
81.03409	0.5
84.04504	8.3
84.08154	1.1
98.06046	0.6
98.94727	0.5
104.71444	0.5
114.10288	2.4
115.08705	15.8
123.04421	0.7
125.10760	42.5
126.09161	56.9
129.10188	0.7
143.11803	5.6
163.03870	4.1
168.11330	40.9
173.52184	0.6
180.74789	0.6
185.13989	100.0
220.09875	0.6
222.11288	2.3
272.55881	0.6
309.07706	1.2
337.07074	2.7
478.04382	0.6
647.25598	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41234	0.5
55.01870	5.2
60.05639	0.6
60.67305	0.5
70.06595	4.6
72.04480	0.5
72.08159	8.8
76.01286	0.5
79.88886	0.5
81.03409	0.5
84.04504	8.3
84.08154	1.1
98.06046	0.6
98.94727	0.5
104.71444	0.5
114.10288	2.4
115.08705	15.8
123.04421	0.7
125.10760	42.5
126.09161	56.9
129.10188	0.7
143.11803	5.6
163.03870	4.1
168.11330	40.9
173.52184	0.6
180.74789	0.6
185.13989	100.0
220.09875	0.6
222.11288	2.3
272.55881	0.6
309.07706	1.2
337.07074	2.7
478.04382	0.6
647.25598	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48669	0.4
51.48911	0.4
57.13274	0.4
58.06590	0.6
90.32185	0.4
90.68457	0.4
144.08092	29.2
145.08713	0.7
156.28064	0.4
158.09642	2.0
170.09645	100.0
171.10393	21.7
172.10704	2.3
187.12433	0.7
198.91676	0.4
201.13895	4.4
202.14658	11.0
203.15022	0.6
246.84103	0.5
257.55194	0.4
645.35260	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81967	0.6
58.06613	22.0
59.07394	14.9
60.08174	33.1
62.72138	0.6
69.07069	1.0
84.08186	0.7
86.09713	12.5
91.05461	6.3
91.25952	0.7
92.17806	1.4
95.08582	0.8
103.05479	3.5
105.07053	3.4
117.48615	0.7
118.06539	3.2
119.04941	1.0
119.07315	5.7
120.08085	2.6
123.04461	0.8
123.57251	0.8
131.04936	16.3
134.06047	4.0
136.07573	2.6
140.92807	0.8
141.10246	6.7
145.05223	5.8
146.06036	3.8
148.07559	1.1
148.11259	1.1
155.08591	2.9
162.05536	1.4
163.03789	0.8
169.09776	1.1
172.03929	2.9
183.08083	4.3
186.09109	0.9
187.10782	1.3
188.14320	1.3
190.04962	0.9
208.11284	2.8
211.07591	12.3
220.11214	1.0
230.11778	4.5
236.10793	0.9
248.10739	1.1
249.11472	3.5
250.12267	1.8
268.09595	0.9
276.10120	2.9
283.37430	0.8
309.19629	13.2
586.25330	3.1
645.32861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53048	0.4
50.65244	0.3
56.27409	0.4
61.08153	0.3
67.05495	0.4
69.03405	0.6
70.06573	2.6
72.08155	0.8
81.07086	0.6
81.19808	0.4
84.08134	0.7
85.02887	2.2
91.05461	0.6
95.08645	0.5
97.02870	0.8
104.13326	0.4
105.07083	0.5
107.08587	2.2
110.07146	0.6
114.10349	0.5
127.03860	0.8
136.07524	0.8
138.09119	0.6
143.09813	0.4
145.02904	0.5
147.04245	0.5
149.09590	0.9
151.11194	6.6
155.11804	0.5
161.09589	0.6
163.03905	2.3
164.07057	0.9
167.07063	0.9
172.54636	0.4
178.04300	0.4
182.08060	0.7
184.07501	0.5
196.13321	4.1
215.08133	1.6
217.15840	3.0
220.09601	0.7
228.63937	0.6
233.09224	5.6
234.07616	0.7
235.16855	0.7
251.10220	5.0
259.07202	1.6
261.08612	0.6
277.08191	100.0
287.10208	0.9
362.18625	0.9
364.74332	0.5
380.19699	2.3
390.18109	0.5
392.20007	0.5
406.17569	10.3
414.16687	4.9
424.18799	3.0
432.17645	52.6
436.18716	3.7
444.01108	0.5
454.19760	4.8
467.92459	0.5
543.25812	0.8
561.27106	3.7
591.28418	4.7
609.29199	53.6
625.29938	0.5
627.30115	8.6
645.30310	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	644.267
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40134	0.5
59.34949	0.4
63.76410	0.4
68.11429	0.5
70.06551	0.5
72.08127	0.7
84.05125	0.9
84.05634	25.5
88.54702	0.5
90.23234	0.5
129.10228	0.6
134.73242	0.5
148.07596	0.7
174.78174	0.5
194.08115	4.6
208.10799	3.2
211.72688	0.5
221.49149	0.5
224.49132	0.5
236.10275	2.2
254.11354	100.0
255.11606	0.8
284.33069	0.5
288.17853	0.5
325.59839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.7
55.47712	1.6
56.39272	1.6
57.03430	8.3
57.46719	1.8
59.47481	2.0
61.02948	2.2
63.37964	1.9
65.10213	1.7
69.03431	38.2
71.01365	2.2
71.05010	3.3
73.02891	2.6
81.03432	35.1
83.04967	2.3
85.02914	100.0
87.00822	31.6
97.02901	37.8
99.04459	19.0
102.03725	2.4
103.03957	4.2
105.01867	38.0
109.02885	59.4
111.04450	8.2
123.04408	8.9
125.02399	4.1
127.03914	98.1
128.20723	1.9
129.01830	2.3
139.03865	2.5
144.08138	3.7
145.04956	15.9
147.02898	2.5
151.03929	10.6
158.70442	2.2
159.02910	15.2
169.04921	12.8
170.09659	12.6
171.02879	8.9
171.09993	5.0
181.04985	3.1
187.06033	13.5
189.04037	21.1
193.04964	3.4
211.05962	2.7
213.03886	17.0
231.04974	27.4
233.06664	2.5
243.17848	2.0
249.06120	9.3
255.04959	3.0
256.67584	2.4
273.06046	40.5
288.59921	2.3
315.07068	4.4
339.07187	8.2
357.08148	9.2
357.79721	2.2
425.07083	3.4
443.08267	11.4
461.09286	33.6
479.10605	14.5
644.34778	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	644.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.7
57.03405	3.3
60.41042	3.4
69.03426	7.9
70.06596	5.7
71.83510	3.7
72.08157	7.6
77.71214	3.5
81.03414	21.3
84.80456	3.3
85.02904	52.1
87.00840	8.5
90.05583	5.3
97.02888	13.2
98.24316	3.7
99.04464	14.3
102.19569	3.4
103.03964	4.5
105.01859	16.0
105.07022	6.6
107.04935	4.1
107.39648	3.7
109.02888	18.7
119.04933	4.8
127.03928	21.6
131.04935	23.6
133.06488	30.0
137.05975	100.0
149.06010	14.1
151.07513	28.8
157.06441	4.4
159.02946	4.1
159.04382	5.3
161.05975	65.5
161.09663	4.9
163.03867	8.4
163.07529	63.6
165.05476	5.9
165.09096	8.5
167.07014	7.7
175.07564	16.5
177.05492	5.7
177.09076	31.9
181.08644	6.9
186.08812	3.9
187.07523	5.3
189.03908	7.7
189.09129	53.2
191.07056	53.5
193.08612	19.7
197.05992	7.4
199.07689	4.3
201.09138	5.5
203.07028	37.3
207.10168	52.7
215.07108	5.3
219.10089	5.2
220.09673	14.2
222.11226	6.4
227.07010	4.8
227.57515	3.9
229.08560	15.0
231.09921	4.0
233.08131	16.7
257.08069	6.7
273.11203	16.3
287.12683	5.4
291.12354	14.9
293.10010	4.7
297.11157	4.3
309.11249	4.6
313.14319	6.0
331.15372	70.4
343.15570	6.4
355.15442	6.5
379.10257	16.5
395.13409	8.6
439.17453	5.6
451.17331	5.6
561.19965	5.6
644.29272	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28764	3.8
55.01864	7.7
56.55747	3.5
57.03442	5.6
58.84106	3.9
67.84512	4.6
69.03423	22.3
70.06581	17.7
72.08138	9.2
81.03410	19.5
84.08142	5.8
85.02908	81.8
87.00838	19.9
91.05486	5.5
97.02886	20.9
105.01844	21.0
105.07006	4.5
107.04982	7.6
109.02868	23.5
127.03919	34.6
129.01767	7.5
131.04912	17.9
133.06509	39.2
137.05980	100.0
145.04971	6.4
149.05991	27.2
151.07536	40.0
159.02931	5.3
161.05969	69.7
161.09633	5.4
163.07523	76.1
165.05551	6.5
165.09081	10.2
175.07561	19.9
177.05495	7.8
177.09126	10.0
179.07126	5.5
181.08611	15.1
187.07610	9.3
189.09064	84.5
189.10403	4.5
191.06993	70.9
196.14633	4.5
197.05991	5.9
201.09142	4.4
203.07030	39.8
207.10129	47.7
215.07053	8.8
217.08638	5.0
220.09676	5.2
229.08661	9.3
233.08134	21.8
249.11237	8.0
255.10211	6.2
257.08014	17.8
273.11218	27.0
285.11121	7.0
287.12888	5.6
291.12274	20.4
297.11377	4.9
311.12909	7.3
331.15338	72.8
343.15494	17.3
355.15268	5.2
355.76505	4.2
379.10370	33.0
395.13544	18.1
421.16907	5.1
426.03452	4.5
439.17355	7.2
543.19110	5.0
644.29492	37.6
657.42682	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	644.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02893	0.5
85.53102	0.3
91.05448	0.8
91.40215	0.3
100.02137	0.4
103.05478	1.4
103.17043	0.3
103.45431	0.4
105.07025	0.5
107.08589	1.8
109.06509	0.5
118.87689	0.4
122.02744	0.8
122.03615	0.4
127.03933	0.5
129.07014	0.9
131.04939	9.3
135.08054	3.4
137.05984	59.7
145.06508	0.4
147.08055	0.8
151.07524	1.5
153.09145	0.5
157.06461	1.9
163.07536	100.0
164.03508	0.4
164.72505	0.4
165.09097	1.8
169.06563	0.6
174.06711	0.7
175.07535	19.5
177.05472	0.7
177.09102	3.8
187.07640	0.5
189.09096	9.3
201.09085	0.5
202.46695	0.4
221.09566	0.4
255.42561	0.4
281.11807	3.0
295.13361	2.9
299.12714	0.7
313.14349	28.7
325.14359	7.5
331.15369	4.4
343.15509	3.2
361.16434	33.9
482.18182	3.4
644.23407	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	644.238
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51872	0.4
85.02925	0.5
95.37965	0.5
99.58163	0.5
103.05502	1.0
107.08603	0.8
117.07040	0.7
119.08577	0.6
129.07002	1.1
131.04935	9.6
135.08055	1.8
137.05986	66.7
141.05441	0.5
147.08064	1.0
151.07541	1.1
157.06502	0.7
160.07578	0.8
161.05948	2.5
163.07536	100.0
165.09114	0.9
169.04982	2.4
174.06781	0.5
175.07545	20.1
177.09067	4.3
179.01668	0.5
179.07056	0.5
186.06685	0.6
187.09448	0.5
189.05557	0.6
189.09106	10.9
193.08629	0.5
201.09154	0.6
281.11746	2.6
295.13339	2.9
313.14328	29.9
325.14413	7.4
329.10312	0.8
331.15399	3.8
331.86298	0.5
333.13486	0.5
343.15302	4.4
361.16501	34.0
372.40729	0.5
440.13342	0.5
482.18393	1.8
511.71005	0.5
602.38971	0.5
644.23334	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	644.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.1
55.01871	1.5
69.03434	4.5
70.06605	0.7
72.08145	0.8
78.91869	0.6
81.03422	4.5
84.80583	0.5
85.02922	11.7
87.00813	5.4
97.02891	4.6
99.04467	2.7
105.01876	3.2
107.04935	2.2
109.02869	5.0
111.82820	0.6
123.04492	0.6
127.03908	8.1
141.00021	0.6
144.08099	1.1
145.04965	1.0
151.03908	29.3
152.04237	1.3
159.02933	1.6
159.08029	0.7
161.05978	1.0
167.07037	100.0
170.09671	3.1
171.10060	1.6
177.36720	0.7
181.08633	1.0
193.08588	9.0
207.10208	1.2
211.09685	20.3
258.23209	0.7
283.09299	0.8
321.04156	0.7
344.68777	0.8
361.12747	10.4
379.13815	7.1
423.13062	0.8
644.30444	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	644.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98305	0.7
69.03424	1.4
72.08150	1.0
73.24641	0.9
79.30288	0.8
85.02914	6.8
88.02203	1.5
89.58484	0.7
92.18408	1.1
95.04972	3.8
97.02895	1.2
105.07059	1.1
107.04944	1.2
119.04952	3.2
122.02718	0.9
123.02673	0.9
123.04415	11.7
131.04959	1.5
133.06419	1.0
137.05994	10.4
140.04697	1.6
141.05466	1.8
147.04379	7.2
147.98375	0.8
151.02132	4.9
153.05429	1.1
154.06285	4.2
155.07024	11.9
161.05946	5.6
163.07533	5.5
167.07001	5.5
169.04985	9.5
175.03918	7.9
175.07516	13.8
177.05490	4.9
178.05832	1.6
179.01630	24.3
179.07025	38.2
181.04991	9.4
183.06534	7.4
185.02678	1.8
193.08591	1.6
207.06538	15.9
211.04231	9.0
213.09137	3.7
223.07608	1.5
226.06281	0.8
237.05420	0.8
240.87805	0.8
241.08600	4.4
251.07239	1.0
254.05768	1.1
265.15436	1.6
266.15854	1.5
269.08051	8.6
273.11215	4.7
279.06439	3.6
286.08395	1.2
296.06998	1.2
297.07785	3.5
300.09860	2.0
301.10730	6.7
311.09192	7.9
312.09344	1.2
314.07935	1.3
315.08414	1.0
325.14355	1.9
329.10181	63.7
330.11157	6.8
333.13345	27.3
333.17322	1.0
343.15390	3.7
361.12805	100.0
393.09879	7.7
464.17416	1.7
482.14832	37.3
526.63239	1.2
644.31439	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	644.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77057	0.5
53.90707	0.6
56.92335	0.6
57.03435	0.9
65.59661	0.7
70.06564	0.9
72.08147	1.6
102.09177	1.0
103.88093	0.6
116.05327	3.2
117.05510	3.1
118.06927	1.2
127.04000	0.7
184.97423	0.7
185.99373	0.7
196.97278	0.7
239.04330	38.9
240.05072	9.6
242.03015	1.3
265.07724	9.2
267.03894	3.7
268.04587	23.8
269.02460	1.3
269.05377	42.0
270.06232	3.0
282.06177	2.6
298.05658	19.9
310.05746	3.3
312.03693	4.1
312.07199	52.6
340.03110	3.2
340.06879	7.6
342.04660	41.6
354.08286	1.3
356.06363	0.7
372.05682	21.3
384.05713	4.0
399.99930	1.3
400.00757	1.1
400.05212	49.6
402.06763	100.0
444.07797	5.1
591.06659	0.9
600.14777	19.7
644.13751	51.6
662.79156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22653	0.5
70.06597	0.9
72.08156	3.5
85.00851	0.5
85.02930	0.7
102.09210	0.8
105.01889	0.6
115.60450	0.4
116.05302	1.2
118.06850	1.1
163.03986	0.7
184.97110	0.6
197.70630	0.5
198.98877	0.5
213.86102	0.5
216.42889	0.6
239.04349	30.1
240.05109	6.8
242.03142	1.1
265.07751	6.8
267.03857	4.3
268.04636	26.0
268.07489	1.2
269.05402	35.3
270.06256	3.5
282.06256	1.0
298.05643	16.3
310.05737	2.3
312.03690	3.3
312.07208	49.4
326.05228	0.6
340.03073	4.0
340.06839	6.7
342.04681	38.5
354.08530	0.6
356.06378	2.7
372.05731	21.7
384.05753	2.7
400.05246	34.6
402.06787	100.0
444.08017	2.5
461.72174	0.8
472.83585	0.6
487.92749	0.5
600.14777	23.8
644.13727	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	643.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60201	1.4
53.14154	1.3
76.79690	1.4
78.09689	1.5
94.21954	1.4
95.90281	2.0
144.08102	25.4
155.43005	1.5
170.09665	100.0
171.10417	20.6
201.13873	3.4
202.14658	10.9
243.14825	1.7
405.44159	2.3
564.54852	1.8
569.03931	1.7
643.23749	3.2
643.33710	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36160	0.5
58.06622	8.1
59.07388	3.7
60.08181	15.4
62.32110	0.5
75.88404	0.6
84.08131	1.0
84.19743	0.6
91.05503	4.4
99.96271	0.6
103.05488	3.8
105.07043	5.6
106.06544	1.3
119.04964	0.6
119.07372	0.7
120.08120	37.8
124.07459	0.7
130.06557	4.0
131.04936	16.1
131.07362	0.7
132.08054	0.9
134.09642	2.7
136.07674	1.9
137.06004	1.2
144.08095	4.6
146.06006	0.9
148.07603	12.1
148.11209	5.0
170.09666	11.7
171.10396	1.5
173.09637	1.4
175.08749	1.6
179.07056	2.9
185.09653	1.2
186.09317	0.8
190.12276	9.7
191.10643	7.3
200.10699	11.4
202.12289	8.3
202.14848	0.8
203.10645	4.7
207.14948	7.3
214.12309	4.3
216.10257	0.6
222.12799	7.4
233.09547	1.0
233.11699	9.4
245.11580	6.6
250.14413	2.5
257.12851	1.3
260.12814	1.1
262.14432	6.7
288.12430	1.4
305.14969	0.8
349.19223	2.5
350.17535	0.7
381.21881	1.5
584.27692	8.3
615.35382	3.6
643.34912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.6
62.45951	0.3
73.90710	0.3
96.70377	0.3
99.09057	0.4
137.05974	0.7
144.08084	27.9
145.08842	0.6
158.09633	1.4
167.06966	0.7
170.09645	100.0
171.10423	23.0
174.23123	0.3
175.07591	0.6
181.04997	0.4
187.12222	0.6
201.13892	4.8
202.14656	17.4
230.74608	0.3
301.19101	6.2
409.23471	0.3
417.15439	0.5
472.43307	0.4
643.33789	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15378	0.5
58.06594	0.7
69.91169	0.6
75.82701	0.7
144.08095	30.7
158.09653	1.4
167.07057	4.7
170.09651	100.0
171.10420	21.4
181.04976	4.7
182.12233	0.8
191.07092	3.9
201.13930	3.8
202.14653	10.5
239.89296	0.7
256.52173	0.7
417.15372	1.5
643.33832	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	643.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06572	0.6
62.41831	0.3
72.60497	0.3
75.64171	0.3
84.49242	0.3
94.09782	0.3
131.04933	0.4
132.88173	0.3
137.63651	0.4
144.08093	24.5
144.28926	0.3
145.08849	0.6
158.09657	0.8
167.07018	0.5
170.09650	100.0
171.10431	23.4
171.11653	0.4
181.05000	0.4
187.12326	0.6
191.07010	0.4
191.23994	0.4
201.13885	5.2
201.16415	0.5
202.14680	10.6
241.08588	0.8
269.08365	0.4
286.08423	0.4
293.16135	0.5
305.16113	0.4
329.10196	2.5
389.10977	1.4
395.19574	0.6
417.15851	1.8
437.21048	0.6
557.26508	2.0
599.26941	4.0
643.33478	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65760	0.8
57.56414	0.8
58.06602	2.1
61.89790	0.9
65.27065	0.8
69.03420	2.2
70.06599	3.9
81.03407	1.0
84.04527	1.1
85.02905	4.2
87.04430	1.0
92.17757	1.0
96.07600	1.3
96.08128	12.2
97.02901	1.2
120.08098	1.7
127.03954	1.4
132.08212	1.1
134.09630	1.5
144.08083	4.2
148.06035	1.6
158.09651	5.6
160.11179	1.1
170.09732	2.0
173.71309	1.1
174.12817	14.4
182.09494	1.0
184.11333	3.7
186.12831	5.6
196.11377	1.5
201.13861	1.7
202.12279	1.1
212.12938	1.1
217.17070	1.7
227.15390	8.6
245.16504	58.6
255.18521	1.2
257.20236	1.3
283.18091	2.0
300.15149	1.1
301.19058	6.4
319.20071	1.6
432.20096	1.6
445.23325	1.9
463.24258	12.6
481.25296	2.0
625.29633	9.1
643.30737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78522	0.3
53.41017	0.3
53.69627	0.3
60.43438	0.3
62.66446	0.3
68.25337	0.3
70.06579	1.8
72.08160	10.9
89.10794	9.4
98.06073	0.4
115.08695	0.8
116.30546	0.4
117.03391	1.5
129.10298	0.4
139.34225	0.4
145.02849	15.4
155.11781	0.7
173.06543	0.4
177.05473	100.0
215.05838	0.6
215.07712	0.6
219.01756	0.6
248.12837	4.6
257.06824	0.5
265.15469	48.3
287.04483	0.5
317.10974	0.7
359.10278	0.6
403.09744	2.0
643.27435	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	643.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75570	1.1
70.06596	10.2
70.50681	1.3
72.08146	7.0
84.08157	2.7
85.02926	1.5
110.06047	1.9
113.59842	1.3
123.04484	1.4
154.04964	2.6
163.03915	13.8
164.07048	1.6
167.07048	8.8
178.05022	2.7
186.14861	1.4
196.06070	3.0
217.09764	7.8
220.09695	5.5
228.81873	1.5
235.10757	1.9
243.11218	11.9
261.08725	24.9
261.12357	2.9
287.10239	23.4
340.17087	1.5
361.71811	1.4
364.20435	2.3
378.18100	12.1
380.19934	2.3
382.21060	3.0
394.21356	8.9
396.19214	13.7
399.14886	1.5
408.19150	50.1
412.22321	3.2
422.17065	3.5
426.20303	2.2
430.16068	21.5
438.20309	60.3
440.18210	2.3
456.17618	10.4
470.19446	1.8
481.31931	1.4
577.26727	3.4
595.27448	10.8
607.27637	100.0
611.28143	2.2
625.28687	28.6
643.30005	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	643.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10810	1.8
58.18880	1.7
73.92017	1.8
78.43484	2.2
91.05479	2.7
95.04942	2.5
103.05483	4.5
107.04924	4.4
123.04459	3.2
131.04918	20.7
133.02837	2.8
133.06499	3.3
137.05989	3.0
145.06439	3.7
148.05209	4.0
149.05869	2.2
153.05516	4.6
161.05952	10.5
163.07555	14.1
165.05438	7.5
167.07033	53.8
170.09680	11.3
173.06000	11.7
175.07492	2.5
181.04961	100.0
187.07597	4.3
191.07036	77.5
191.08759	2.6
193.04913	2.2
193.08675	2.2
195.06435	2.1
207.06480	4.0
208.07364	3.5
208.31163	2.0
217.08566	2.9
219.10222	2.2
222.11240	2.2
225.07611	18.7
233.08153	2.3
234.93829	1.9
235.09592	6.9
245.08200	2.1
263.09149	18.9
298.47174	2.1
316.19952	1.8
357.13095	3.9
385.12900	11.0
399.14368	3.4
417.15439	29.0
611.21014	2.9
643.23065	3.0
643.33191	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	643.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92096	0.2
59.85276	0.2
63.09160	0.2
65.03931	0.2
67.05505	0.3
70.06588	0.5
72.08160	0.4
84.04504	0.3
84.16817	0.3
85.02885	0.4
89.54219	0.2
91.05472	0.5
95.04989	0.4
108.02068	0.5
119.04957	0.6
129.06596	0.6
132.22464	0.3
137.06032	0.4
140.34277	0.3
141.05513	0.5
144.08102	1.5
145.06453	0.3
147.04439	0.5
147.07854	0.3
151.03914	100.0
151.04962	4.7
151.07526	13.2
153.05533	0.3
162.96939	0.3
163.03957	0.4
166.08693	0.4
167.06976	0.4
168.10190	0.6
170.09662	3.8
171.10371	0.4
173.06010	1.2
178.93311	0.3
179.07114	0.3
181.05016	1.0
186.09163	0.5
205.08545	0.5
210.06773	0.3
213.09047	0.3
217.08693	0.9
226.06339	0.5
233.12727	0.3
234.11221	3.5
236.04643	0.3
240.07863	0.4
241.08568	5.0
246.06007	0.3
251.06970	0.3
251.13908	3.2
265.08542	0.6
269.08163	2.3
270.08905	0.4
279.13400	13.7
283.09625	1.3
285.07660	0.5
286.08469	2.2
293.08344	0.3
293.11664	0.3
296.06985	0.4
299.09097	2.9
300.09787	1.2
301.10742	2.4
307.09634	0.5
311.09003	2.1
314.07855	0.3
315.08667	1.2
321.11502	0.3
323.09125	0.3
329.10208	18.7
347.11307	3.5
352.46707	0.3
399.14371	1.9
417.15402	7.8
461.11914	0.3
595.22858	3.2
607.22949	0.3
625.24207	3.1
643.25977	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	643.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48028	2.1
58.40901	2.5
81.30016	2.6
85.02930	3.2
85.29399	2.5
107.04942	3.2
139.74571	2.8
145.06487	17.3
153.05507	16.7
161.05898	3.6
167.07043	14.1
170.09702	5.4
173.05928	34.2
181.04959	18.5
184.05083	3.2
187.07646	3.5
190.06258	5.5
202.72430	2.7
203.07097	4.2
205.08578	21.1
217.08517	37.6
219.08224	4.1
219.13838	3.2
233.06068	3.5
233.08092	22.6
234.06747	4.6
237.09070	3.0
245.08073	16.3
247.07547	3.8
251.07066	3.6
263.06882	5.6
263.09296	4.4
264.07840	4.3
265.08630	23.9
277.08682	5.6
282.08926	4.3
293.08176	12.1
294.08878	4.0
305.07944	2.9
307.09683	16.3
310.08264	2.9
325.10828	15.1
329.10281	5.2
337.10666	4.4
357.13553	11.3
369.13220	3.1
385.12827	15.3
399.14362	11.3
417.15448	100.0
439.28348	2.8
532.17163	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	643.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03737	0.7
59.59742	0.7
63.52853	0.8
66.35576	0.8
77.80134	0.9
85.02921	1.8
85.21913	0.8
107.04958	1.5
117.07034	1.7
123.04451	1.4
137.05939	1.3
144.08081	1.8
145.06464	5.6
145.84508	0.8
151.03926	13.6
151.07579	1.4
153.05458	3.8
155.07034	1.0
167.07043	4.4
170.09583	1.6
173.05980	10.4
175.07460	1.0
181.04994	9.4
185.05742	0.8
187.07733	1.0
190.06232	1.2
203.07080	1.7
205.08572	6.4
210.06741	1.2
213.09123	1.3
217.06841	1.2
217.08649	11.1
222.06569	1.0
223.07391	1.0
226.06201	2.1
233.08118	5.4
234.08844	1.3
237.08980	1.5
240.07835	1.7
241.08588	48.2
245.08101	5.6
247.07542	1.6
249.09099	1.1
250.06239	2.1
251.07019	1.6
254.05540	1.0
255.06422	1.4
255.10126	1.4
258.08847	1.1
261.17261	1.0
263.06970	1.6
264.07675	1.1
265.08533	6.4
266.09329	1.4
268.07278	5.5
269.08099	22.6
270.08844	3.7
271.06091	3.5
271.09647	2.0
275.06970	1.0
277.08575	4.9
278.09311	2.0
279.13419	1.5
283.09683	1.9
285.07486	7.9
286.08340	25.7
293.08118	4.2
293.11444	1.3
295.09671	1.4
296.06992	1.7
297.07648	3.4
297.11053	1.6
298.08356	5.2
299.05701	1.5
299.09024	1.8
299.82196	0.9
300.09979	10.7
301.10736	21.2
306.08759	4.0
307.09686	5.5
310.08307	1.4
311.09229	4.1
314.07968	7.8
315.08746	3.2
321.11206	4.7
323.09183	1.3
325.10724	5.7
329.10208	100.0
330.10953	1.0
337.10739	4.7
339.12204	1.8
355.11734	1.4
357.13388	3.7
360.85236	0.9
367.11716	1.6
369.13391	1.9
369.76138	1.0
385.12772	4.7
399.14362	23.5
405.30396	0.9
417.15457	64.1
458.08057	1.0
563.19214	1.4
625.24500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.2
64.31140	0.2
69.58804	0.2
85.02888	0.4
91.05487	1.2
93.07047	2.2
95.04982	0.5
102.33507	0.2
103.05470	1.0
121.06506	100.0
138.09149	26.1
140.11481	0.2
145.02896	0.5
163.02513	0.4
163.03903	10.5
165.08925	0.3
199.19162	0.3
325.09213	1.1
505.15619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.7
53.17546	1.0
54.79753	1.0
55.01876	2.9
55.05507	1.0
57.03442	2.7
58.05548	1.0
61.02919	1.9
61.97071	1.1
67.05496	1.3
69.03438	34.5
69.07063	6.1
71.04987	2.4
73.02927	6.2
77.23345	1.1
81.03424	30.7
83.04984	6.0
85.02910	79.5
87.00827	28.9
95.04961	5.1
97.02895	40.6
99.04465	15.4
103.03930	2.1
105.01871	35.6
109.02881	55.5
111.04446	9.3
115.03896	1.7
115.30891	1.2
122.55375	1.8
123.04427	6.8
125.02370	5.5
127.03918	100.0
129.01825	7.3
129.05484	2.1
135.04420	1.6
139.03929	1.3
145.04997	11.9
147.02875	2.2
147.06451	1.6
151.03909	10.7
153.05525	1.2
158.57323	1.2
159.02908	11.9
161.05981	2.0
164.04575	1.2
165.05544	2.3
169.04947	15.6
170.09789	1.4
171.02867	2.8
175.03990	1.6
179.54260	1.2
181.04947	1.7
187.06041	9.6
189.03935	18.8
189.05472	2.6
193.04965	5.5
202.46013	1.3
213.04004	14.5
231.04970	20.8
235.06067	2.5
249.05972	9.3
253.07266	2.2
255.05054	4.9
273.06021	39.7
297.06049	1.9
299.76184	1.3
315.07022	8.4
333.08279	2.3
339.06989	10.1
350.47943	1.2
357.08139	9.3
408.80310	1.2
443.08212	10.0
461.09369	30.3
479.10254	26.5
497.11404	7.5
642.25793	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	641.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81642	0.3
58.06599	0.6
62.07440	0.4
70.06571	0.5
72.08187	0.5
76.18468	0.4
85.02916	1.5
97.02898	0.5
114.74426	0.5
124.68028	0.4
130.29739	0.4
137.81754	0.4
160.07585	31.9
161.08342	0.6
163.30882	0.4
165.83012	0.4
170.09630	0.8
174.09216	0.8
174.20758	0.5
186.09149	100.0
187.09930	45.9
217.13333	2.4
218.14156	57.2
255.29002	0.4
317.18597	11.0
641.29248	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59946	0.5
58.06617	0.5
60.19367	0.5
64.20441	0.4
70.52060	0.5
79.93024	0.5
82.46460	0.5
116.64164	0.5
119.04131	0.6
137.05971	0.5
160.07578	38.9
170.09686	1.1
174.08987	1.5
186.09146	100.0
187.09932	35.8
202.11055	0.7
203.11935	0.9
217.13344	3.7
218.14146	32.3
276.14999	0.6
287.03766	0.6
317.18582	11.6
484.38025	0.5
553.91357	0.5
641.29193	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00645	0.3
70.06614	0.4
72.08161	25.1
89.03886	0.5
89.10796	21.1
90.33072	0.3
93.61277	0.4
98.06060	0.4
108.55726	0.4
115.08697	1.4
117.03381	0.4
120.21725	0.3
135.04413	1.4
145.02835	2.1
163.03902	100.0
234.11252	16.4
251.13895	71.4
278.30215	0.4
282.87119	0.3
295.96564	0.3
321.80188	0.3
344.37921	0.4
393.17603	0.4
641.27917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67010	0.4
51.94257	0.4
58.06598	0.6
59.09206	0.3
88.11782	0.4
160.07578	37.3
170.09673	2.0
174.09125	0.5
186.09149	100.0
187.09937	30.3
187.11296	0.7
203.11867	0.8
217.13379	4.3
218.14127	14.2
240.03615	0.5
292.81390	0.5
327.28149	0.5
378.02380	0.5
641.29211	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08511	0.4
58.06595	1.0
58.10596	0.3
58.54580	0.4
65.51851	0.3
70.06580	0.9
70.73272	0.3
80.30790	0.4
89.18118	0.4
103.06509	0.5
130.03537	0.4
144.08070	1.0
160.07571	35.5
161.08409	0.7
170.09621	1.6
174.09125	0.7
186.09145	100.0
187.09920	33.4
202.11079	0.5
203.11638	0.4
217.13283	4.4
218.14143	22.9
418.79752	0.6
461.22232	0.4
479.24039	1.8
564.53442	0.4
641.29230	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06584	0.5
58.48722	0.4
63.34937	0.4
69.28188	0.4
72.08179	0.7
75.37707	0.4
80.35081	0.4
104.20676	0.5
118.16415	0.6
126.67647	0.5
131.90749	0.5
144.08107	0.8
160.07574	36.9
161.08366	0.6
170.09657	1.8
174.09052	0.8
177.05409	0.7
186.09146	100.0
187.09923	38.8
188.58626	0.6
217.13354	3.4
218.14142	37.1
233.82274	0.5
317.18625	14.4
577.62921	0.6
641.29193	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45876	2.5
73.99142	2.6
77.75884	3.4
80.33933	2.7
94.74438	3.6
94.79867	3.3
111.52045	3.0
120.05697	3.5
120.36095	3.0
136.87947	3.1
142.67715	3.0
143.89609	3.7
145.06483	10.8
165.05527	4.2
165.51277	3.1
167.07036	39.6
167.71342	3.3
170.09660	3.5
173.05959	21.5
181.04961	100.0
201.28380	2.7
217.08618	6.4
219.06465	6.1
233.08142	5.2
281.11557	3.4
385.12607	4.0
415.13947	14.4
539.14081	4.0
641.22003	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93045	1.9
52.14700	2.0
58.99584	12.7
65.40710	2.3
74.99502	2.1
76.02238	91.1
84.04510	8.6
87.58684	2.2
93.57419	2.4
97.06522	2.4
109.06525	45.8
109.10149	2.4
115.69028	2.4
116.00985	2.4
116.01654	21.4
121.06557	2.7
121.10131	3.5
130.05011	12.6
142.03223	4.5
144.01163	17.9
159.11707	10.8
162.02199	86.9
165.09085	3.9
179.04858	74.8
199.14827	12.7
215.04935	3.7
217.15898	47.0
233.05919	18.4
245.06032	2.7
245.15334	11.4
263.16412	96.0
269.19171	2.9
291.06531	3.4
308.09088	78.9
315.19778	3.1
316.20334	2.5
511.24551	30.3
538.40076	2.9
640.28998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76188	1.4
58.06590	1.9
72.08159	10.2
86.09704	22.2
100.11256	100.0
128.10660	1.6
140.14348	2.2
172.13287	3.3
200.16504	1.5
212.24529	1.6
228.15903	12.5
270.45645	1.6
285.21457	2.0
299.23236	11.3
327.22806	3.6
440.31357	2.7
458.32159	1.8
553.98492	1.6
611.44098	13.4
625.47461	1.7
639.43243	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1922
Annotation	Scutellarein 7,4'-dimethyl ether 6-sophoroside
Peak:m/z	Relative Intensity
63.71489	0.3
69.03400	0.5
81.03400	0.4
84.05582	0.4
85.02905	0.8
97.02842	0.4
102.32233	0.4
107.04960	11.7
109.02858	0.5
121.02866	4.3
147.04408	5.1
150.65298	0.3
156.40314	0.3
160.41910	0.3
163.03810	0.4
175.03894	10.3
176.04678	1.6
177.01846	1.6
195.08023	0.5
199.07657	0.9
201.84863	0.3
223.07556	1.4
226.15373	0.4
227.06970	0.4
231.61729	0.4
241.08542	4.8
251.07033	4.1
253.08499	0.4
269.08081	95.6
279.06470	3.6
297.07584	100.0
315.08636	4.9
402.00735	0.4
423.10822	2.1
441.11829	1.8
459.12885	11.5
459.18933	0.6
466.93991	0.4
476.03671	0.4
639.29645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.08575	1.0
57.03445	40.6
61.83027	1.1
66.70065	0.9
69.03428	9.0
72.08150	1.3
73.02934	1.6
73.98302	1.1
76.39465	1.1
77.43152	1.0
81.03406	8.2
84.08147	2.5
85.02904	27.3
87.00818	8.1
97.02906	10.9
99.04453	5.4
105.01878	15.3
109.02893	11.6
127.03908	22.8
129.01843	1.5
129.10258	2.2
145.04996	2.7
155.07024	1.5
159.02855	5.4
189.08972	1.5
211.09668	100.0
231.05049	4.9
249.06084	1.9
255.44476	1.2
638.13452	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	638.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01881	5.1
57.03440	1.5
60.04519	0.7
61.02921	1.1
64.14574	0.6
69.03107	0.8
69.03437	14.8
71.04980	1.6
73.02926	4.1
79.05513	0.6
81.03436	13.0
85.02911	62.6
87.00834	22.5
89.36095	0.6
97.02897	22.1
99.04462	11.1
105.01878	26.1
105.07042	25.9
105.07754	0.9
109.02886	27.0
115.05466	3.5
117.01884	0.9
126.05556	0.6
127.03925	39.3
129.01834	2.8
133.06502	44.3
143.06085	3.5
144.06555	1.5
145.04968	11.0
147.02927	2.9
152.58243	0.7
159.02887	13.3
161.05977	100.0
193.08612	98.4
194.63872	0.7
211.09642	1.2
213.03951	3.1
223.41460	0.6
231.05019	9.8
244.63745	0.8
249.05994	5.0
350.94629	0.8
392.11749	0.9
393.09863	0.7
410.12866	1.4
428.13919	1.5
600.31476	0.7
638.22870	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	638.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03435	0.4
61.02928	0.5
69.03432	0.7
72.08127	0.5
83.67152	0.3
85.02414	0.5
85.02902	9.4
94.12502	0.3
95.52966	0.3
97.02879	2.4
100.02176	1.2
103.05476	0.8
105.07031	18.0
107.26283	0.3
109.02887	0.3
115.05444	2.9
122.02689	4.0
127.03937	3.1
133.06497	34.4
136.42770	0.4
143.04929	0.7
143.06029	1.8
145.04982	2.1
146.02745	2.5
161.05969	100.0
162.11256	0.3
164.03801	0.8
167.07588	0.4
188.03749	0.5
190.56534	0.4
193.08600	58.9
282.05701	0.4
284.08008	5.3
307.06015	0.5
314.10513	9.2
319.34402	0.4
347.19067	0.4
446.13144	7.8
600.35907	0.4
638.21814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.38
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10048	1.2
55.05521	3.2
57.03453	15.1
57.07088	30.8
61.02935	51.0
67.05511	7.9
68.43269	1.5
69.03441	19.8
69.07063	3.5
71.05005	3.9
71.08641	24.6
73.02931	18.4
81.03426	19.4
81.07063	13.2
83.04971	2.0
83.08611	11.7
85.02916	68.9
85.10182	15.5
91.03959	34.9
95.08617	24.8
97.02901	55.7
97.10168	9.5
99.04465	9.3
99.11782	1.9
101.02351	3.6
103.03928	3.8
109.02897	10.8
109.10152	8.4
111.11733	1.7
115.03938	3.9
123.11713	6.5
127.03912	24.7
129.05432	2.0
145.04970	9.1
183.06502	13.6
201.07639	7.7
239.23711	7.8
248.73331	1.8
301.39502	1.6
312.58295	1.6
313.27359	100.0
331.28677	2.7
341.27170	2.5
355.28433	3.1
385.29630	2.2
439.30634	8.0
449.42709	1.7
457.31647	31.0
475.32632	10.7
637.37988	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	637.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.9
57.07086	35.9
59.17606	0.7
71.07863	0.7
74.54041	0.8
77.73811	0.9
78.15167	1.1
83.04526	1.6
83.04986	35.9
84.58464	0.9
91.05482	4.4
92.18412	1.2
105.07066	2.8
119.08617	1.4
133.10146	1.8
135.79584	0.8
138.14796	0.8
141.06999	5.8
145.69707	0.9
147.11697	40.3
151.01573	3.7
159.08058	5.7
161.13290	1.9
163.01537	5.4
169.07632	1.9
175.01584	5.8
181.02542	1.0
187.01343	1.2
227.04675	6.4
239.04703	14.9
260.99283	2.0
273.40390	1.1
283.11078	1.0
337.02359	91.1
355.03403	1.0
393.08582	21.6
413.05627	5.9
469.11636	11.7
525.17883	15.5
581.15192	1.9
581.24329	50.9
637.30560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2879
Annotation	Insularine 2beta-N-oxide
Peak:m/z	Relative Intensity
50.99323	0.8
52.12407	0.7
70.06581	1.1
72.08180	1.0
164.07007	0.9
182.35117	0.9
189.05331	0.9
192.81461	1.1
235.10683	0.9
248.08160	0.9
261.08725	1.7
263.10431	0.9
275.02023	0.9
292.14557	1.1
336.13474	4.5
350.15210	3.3
362.18808	5.0
378.18250	1.7
380.19727	7.4
390.18143	3.2
392.19693	5.6
406.17517	32.8
408.19272	0.9
420.22714	4.1
424.22678	1.8
436.18634	10.5
442.90256	0.9
450.20227	43.0
452.90976	0.9
465.22699	1.6
474.81729	1.0
505.21039	7.4
561.26422	1.1
575.25183	6.8
589.27216	0.9
605.25964	1.4
607.27240	1.0
619.27972	14.2
637.28754	100.0
654.23169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72207	2.0
55.24936	2.0
68.27029	2.1
76.02225	15.2
98.64913	2.2
110.06055	10.1
122.06027	2.7
136.07590	13.6
162.02206	13.7
164.07051	4.1
179.04855	9.8
187.83882	2.3
202.13504	18.9
233.05884	4.2
261.08813	3.3
269.18988	3.2
284.21393	10.0
308.09174	22.2
380.19592	7.7
394.17557	13.4
396.19220	11.4
404.16132	2.5
406.17709	11.9
422.17032	5.1
423.18964	2.6
424.18469	5.1
425.19522	2.9
426.99326	2.6
436.18781	5.5
438.20197	5.0
440.21786	24.5
450.16919	11.8
464.18127	62.6
466.19751	12.7
468.18179	2.6
539.40643	2.9
605.26538	3.9
619.27545	48.7
637.28680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48373	0.9
60.58638	0.9
76.33133	0.9
76.38160	1.0
79.64396	1.0
133.50284	1.0
143.03862	1.0
151.03902	6.9
164.07118	2.1
164.10571	1.0
186.09323	1.4
206.99237	1.1
217.09776	1.9
240.72385	1.1
245.09082	1.5
257.09015	1.4
261.08701	100.0
271.07654	1.2
284.11597	1.6
285.08713	14.7
285.11923	1.9
286.18542	1.6
287.10187	1.3
289.08749	1.5
305.07999	1.5
305.11295	1.5
306.08972	1.3
307.09851	1.8
313.08200	23.5
317.08105	1.1
323.09204	1.7
329.10199	1.5
331.09274	32.8
335.09171	2.0
338.11682	1.1
349.10571	8.1
366.10928	1.2
381.13147	6.9
398.17090	17.4
406.17648	30.5
408.19254	4.3
409.37622	1.0
436.18665	21.1
438.20215	1.3
441.15558	12.3
452.17990	4.5
464.18222	1.2
468.17572	13.9
482.19302	8.5
577.20782	1.6
607.27515	1.7
619.27698	38.4
637.28760	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07713	1.4
56.96825	1.4
79.57698	1.6
94.06567	2.3
122.06035	11.0
136.07582	10.9
138.09100	13.7
147.04417	2.4
164.07065	66.5
174.09232	4.2
177.06622	4.3
181.09750	14.9
188.07053	2.8
191.08096	19.8
202.08615	2.9
203.08177	10.5
204.06573	3.2
217.09756	9.0
229.06067	10.3
230.08156	14.2
231.11046	1.8
235.10887	2.3
245.09229	41.1
246.07637	9.4
247.10699	2.5
248.09224	8.1
259.10742	8.5
261.08698	12.0
263.10275	57.8
265.11722	2.6
269.09305	2.5
269.93265	1.7
271.07166	12.2
272.09140	2.9
274.12964	2.8
275.14133	2.8
278.81848	1.6
285.08899	2.6
285.12216	2.3
287.10272	27.9
288.08133	1.8
289.08441	3.9
289.11777	4.0
290.08627	1.7
299.13956	2.2
301.11703	17.4
305.11362	35.3
307.12885	15.1
313.08145	3.0
315.09726	2.8
326.14963	2.6
329.11343	3.1
333.10764	3.3
366.18286	9.3
378.18021	2.4
380.15909	2.0
398.16812	2.3
406.17615	3.4
420.19098	8.6
424.18726	3.7
426.20172	12.0
438.20114	3.2
444.21130	9.0
450.16461	3.2
452.18079	11.1
468.17477	14.6
470.19144	25.8
539.27716	1.8
589.26624	34.7
601.37781	1.8
607.27625	100.0
619.27686	15.0
637.28802	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83232	1.4
61.60381	1.4
66.35989	1.5
93.40946	1.5
108.08120	2.1
108.09250	1.6
118.08749	1.7
122.06049	17.3
131.89365	1.7
131.90344	1.6
136.07581	16.5
138.09171	13.6
164.07060	57.9
174.09134	8.6
177.06618	3.6
181.09682	13.9
188.07118	2.2
191.08189	14.2
192.10220	4.1
193.85651	1.7
202.08688	3.8
203.08160	10.1
204.06596	1.8
217.09723	10.8
226.39645	1.8
226.41841	1.8
229.06113	10.3
230.08139	11.1
243.07547	2.5
243.11348	2.1
245.09206	33.9
246.07640	7.6
247.10751	2.3
248.09167	9.9
257.09311	2.1
257.12961	1.9
259.10742	6.2
261.08704	29.5
261.11435	1.9
261.12402	1.8
263.10239	52.3
263.12857	3.0
271.07031	12.1
272.09271	3.1
275.13956	3.2
277.11783	2.0
285.08655	3.2
287.10266	31.5
289.08121	2.7
290.10101	2.0
299.13962	2.6
301.11810	46.7
305.11304	33.8
307.12970	12.1
313.08118	10.2
315.09769	3.8
317.14984	1.9
325.65240	1.8
333.10941	3.2
352.16516	1.9
364.16556	2.0
366.18204	9.5
378.18118	3.7
384.19302	2.0
398.16470	2.3
406.17511	11.9
408.19409	2.7
420.19220	6.6
424.18774	6.5
426.20190	9.6
434.17169	8.3
438.20212	3.5
444.21307	11.9
450.16742	6.7
452.18268	17.2
468.17590	14.4
470.19037	26.2
535.14038	1.8
571.25061	3.1
589.26587	59.4
607.27625	100.0
619.27618	25.4
637.28644	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	637.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89370	1.8
67.74273	1.4
72.03775	1.6
108.08115	2.5
122.06041	22.1
134.62741	1.9
136.07570	12.7
138.09132	17.0
145.43002	1.6
162.05460	2.0
164.07065	63.4
164.10716	2.3
170.54379	1.8
174.09096	3.8
177.06610	4.2
181.09732	12.7
188.07059	3.4
191.08180	17.3
192.10246	2.7
202.08720	6.8
203.04422	1.8
203.08133	13.0
204.06580	3.5
217.09746	9.8
227.08153	2.1
229.06117	11.1
230.08205	12.1
235.10823	3.8
243.07735	2.2
245.09221	33.2
246.07613	10.4
247.10649	2.4
248.09184	8.3
259.10840	8.7
261.08704	30.5
263.10239	56.3
269.08926	3.4
271.07089	10.6
272.09158	3.7
275.13892	8.6
277.11807	2.6
285.08929	3.6
285.12228	7.1
287.10248	32.7
289.08542	2.4
289.11823	3.2
290.37622	1.8
301.11832	34.9
305.11325	37.9
307.12888	14.1
313.08188	9.3
315.09433	2.9
331.09421	3.7
366.18115	7.8
378.18137	3.3
406.17572	17.5
408.19257	8.1
420.19275	8.7
424.18774	3.3
426.20560	13.3
434.17273	3.6
438.20285	4.1
444.21350	18.8
450.16351	5.8
452.18106	23.1
468.17615	20.5
470.18985	25.5
500.20264	2.0
528.38544	1.7
556.68610	2.2
571.26178	2.1
589.26617	40.1
607.27637	100.0
619.27448	26.1
635.48193	2.0
637.28711	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	637.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21990	0.6
60.26545	0.7
61.97510	0.8
71.39052	0.6
85.02932	1.0
100.22023	0.7
110.06071	3.5
122.06078	1.0
124.07652	1.2
136.07648	3.1
138.09203	3.8
140.07088	1.8
154.08675	1.6
164.07079	3.7
164.10815	1.1
174.09143	15.6
176.10686	0.8
182.08192	3.0
188.26653	0.7
192.10274	2.8
193.08650	0.9
203.86781	0.7
204.10268	2.7
205.04854	4.5
217.09724	6.3
235.10805	6.0
243.11298	0.8
248.06532	8.0
257.09207	1.2
257.12891	1.3
259.10825	1.4
261.08713	57.5
269.09436	0.8
285.09222	1.6
285.12534	7.5
287.10312	8.7
301.11835	27.7
301.14917	1.2
305.07928	0.8
313.08322	4.2
315.09879	1.4
362.18896	3.2
363.17145	0.8
378.18137	1.0
380.19818	5.8
381.11829	1.5
386.12488	1.0
390.18414	1.6
391.16132	0.8
395.13309	4.7
398.17026	1.2
406.17593	27.5
406.22491	1.4
408.19296	12.1
416.18222	7.4
418.17566	1.0
420.19479	0.9
424.18750	1.3
426.20602	4.0
434.17230	18.1
434.22879	1.1
436.18915	1.2
438.20511	1.0
452.18198	39.1
456.21103	0.9
464.18396	1.2
475.15912	1.5
482.19608	1.7
543.26343	0.8
561.27087	1.3
589.26953	3.4
607.27618	21.1
637.21051	9.6
637.29138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
76.30601	0.5
76.42946	0.4
85.62344	0.4
92.17808	1.0
92.95126	0.5
103.51035	0.4
110.06050	1.2
136.07545	0.7
169.56680	0.6
189.26991	0.6
202.96756	0.5
258.13562	0.6
259.14429	0.6
261.08725	1.0
284.11581	0.9
285.12320	19.1
331.09683	0.5
332.92380	0.6
362.18677	2.8
364.20389	1.1
380.19672	7.1
382.21219	2.8
390.18005	1.1
391.15637	0.7
406.17612	51.9
408.19168	17.6
422.20764	1.0
426.20197	5.4
451.17612	0.9
452.18173	73.0
482.19003	3.7
561.27222	2.1
564.53540	0.6
607.27625	9.7
637.28668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2759
Annotation	10,11-Dimethoxy-1-methyldeacetylpicraline-3',4',5'-trimethoxy-benzoate
Peak:m/z	Relative Intensity
52.47052	0.4
53.81029	0.4
54.36345	0.4
71.46793	0.4
92.17860	0.7
105.07011	1.1
107.04998	0.7
117.03349	1.1
122.09659	0.7
145.02852	16.1
149.05960	0.8
167.07034	100.0
177.05469	30.0
179.20705	0.5
181.08557	1.0
187.12376	0.6
192.54706	0.5
193.08591	4.9
205.13393	0.9
211.09666	18.2
233.12761	3.9
387.14267	2.1
498.57404	0.5
637.27649	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	637.1772
Annotation	Fujikinetin 7-O-laminaribioside
Peak:m/z	Relative Intensity
51.67408	0.2
56.38176	0.2
58.91157	0.2
62.64427	0.2
63.71209	0.3
69.03426	0.4
75.76334	0.2
81.03391	0.3
85.02911	1.8
92.17807	0.5
92.55051	0.2
97.02906	0.3
97.45388	0.3
107.57630	0.2
109.02921	0.4
119.26296	0.2
139.59285	0.2
191.53760	0.2
194.38052	0.3
225.84993	0.2
252.34267	0.3
262.15985	0.2
267.06528	40.6
287.26117	0.3
295.06033	100.0
296.03259	0.2
313.06989	2.2
355.08148	0.4
398.77820	0.3
421.09073	1.9
439.10245	6.7
457.11334	11.6
475.12378	10.3
520.65015	0.3
619.16272	0.4
623.65948	0.3
637.17511	0.9
637.27808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41972	0.1
53.59413	0.1
58.06580	0.7
60.23698	0.1
62.50777	0.1
63.10899	0.1
64.43148	0.2
69.03401	0.3
70.06573	0.3
71.11562	0.1
72.08159	4.6
72.54618	0.1
81.62812	0.1
84.08113	0.7
85.02882	0.9
95.52674	0.2
100.07094	0.2
100.07629	2.3
112.11229	1.8
123.04420	11.1
127.03922	0.2
129.13879	0.3
132.24323	0.2
136.07487	0.3
137.05986	0.4
164.07095	0.3
165.05467	16.4
177.05499	0.3
194.08101	0.2
221.12756	1.3
222.11249	100.0
236.12798	8.3
253.15459	0.3
265.15488	0.6
293.18637	2.5
295.53525	0.2
310.21240	1.3
376.53738	0.2
384.16519	5.5
398.18198	0.3
447.35886	0.2
456.24719	1.5
457.23218	1.6
474.26028	5.6
636.31281	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59668	0.4
55.26892	0.5
56.00832	0.5
58.07028	0.4
65.66250	0.4
72.08154	5.3
77.31533	0.5
83.03774	0.6
85.02904	0.9
100.07574	2.2
112.11208	2.1
123.04440	9.6
129.07919	0.5
137.05928	0.7
163.03886	2.0
165.04115	0.8
165.05460	17.4
211.84138	0.5
221.10101	0.9
221.12915	1.0
222.11261	100.0
236.12823	8.6
293.18628	2.3
310.21335	1.8
343.70609	0.5
384.16449	4.4
405.35822	0.5
456.25098	0.9
457.23389	1.0
460.02185	0.5
474.25861	5.4
516.26453	0.5
636.31421	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52729	0.5
54.20197	0.5
70.06595	0.6
84.04475	0.6
92.13408	0.4
95.04959	0.7
98.80074	0.5
105.54475	0.5
129.06583	3.6
141.05486	0.8
143.07364	0.9
144.06964	0.9
144.08093	22.2
149.47113	0.5
151.03915	100.0
151.04948	4.1
164.11371	0.4
179.84554	0.5
213.88081	0.5
227.11784	8.7
272.13934	14.3
283.09744	1.5
290.43280	0.4
299.08972	3.4
311.09125	2.2
329.10159	8.5
329.13596	0.7
347.11279	2.8
360.68170	0.5
393.14618	0.7
490.85052	0.5
544.50012	0.5
564.53394	0.5
588.23389	3.2
600.23999	1.0
618.24469	4.2
636.26196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93724	0.5
69.03419	0.9
71.12180	0.4
78.50535	0.4
85.02910	5.3
86.09710	15.0
97.02891	0.8
100.23629	0.4
109.86868	0.4
117.03407	0.6
127.03893	1.8
132.10194	7.7
135.04408	3.0
145.02882	5.3
145.04907	0.8
163.03899	100.0
325.09192	11.8
343.10400	0.6
458.32211	0.6
505.15463	2.2
636.16925	0.6
636.32153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2721
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
53.20992	0.7
62.45608	0.7
72.08893	0.7
73.53960	0.6
86.09705	0.8
115.82140	0.7
116.55421	0.9
144.08093	1.7
170.09676	5.8
243.11340	0.9
261.08676	18.7
261.81061	0.7
285.08621	6.6
287.10266	100.0
313.08163	17.4
330.18079	3.0
331.09259	38.2
357.16150	0.8
404.78003	0.9
406.17380	1.0
418.17328	1.1
422.17261	1.3
436.18030	1.0
468.17706	3.7
491.22910	1.7
498.18811	8.1
576.51105	0.8
635.17200	5.5
635.27008	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2715
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
71.02431	1.1
94.06596	1.2
98.06095	1.2
106.06534	2.2
122.09671	6.7
134.06006	8.2
136.07600	1.7
138.09155	8.7
144.17108	1.3
162.05502	100.0
164.07048	5.0
177.06517	1.3
189.06538	1.8
203.08182	14.3
204.06599	6.0
204.10373	1.3
217.09691	6.5
219.31924	1.2
230.08134	2.3
233.09157	1.7
234.09862	1.8
235.10655	8.9
245.09209	36.2
246.07674	6.0
248.09093	1.4
259.10641	1.4
261.08893	1.3
261.12369	2.4
263.10269	77.8
271.07297	1.4
274.13187	7.0
275.13791	18.6
287.10312	19.2
301.11682	2.5
305.11310	69.3
307.12897	2.9
335.13535	1.6
347.10675	1.6
351.12195	6.4
361.11740	1.6
364.13004	9.2
364.16922	1.7
378.14551	1.4
379.12766	10.4
380.19766	4.8
381.17892	1.8
385.34308	1.2
398.20728	7.1
406.13608	6.7
406.17795	7.0
407.12289	15.1
408.19360	2.5
418.17642	2.1
422.17172	5.5
423.13779	1.6
424.14621	13.8
426.20251	21.7
436.18893	1.7
442.19812	1.5
444.21432	6.4
452.17975	2.1
466.09979	2.3
466.16074	40.9
468.17538	2.8
472.20831	4.1
498.19019	5.3
587.24860	34.2
605.26099	99.2
617.25977	2.7
635.27087	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	635.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48001	1.6
53.41680	1.7
56.93238	1.7
57.31021	1.6
57.31364	1.8
73.62056	1.9
83.20382	2.0
94.05569	1.8
107.04947	4.2
122.09666	3.0
127.94125	2.1
155.07106	2.8
167.07037	50.6
201.05464	87.7
201.07224	3.7
213.05455	37.3
219.08153	2.4
231.06505	21.0
233.12917	12.7
235.07518	2.2
235.10840	3.7
247.07504	4.0
257.05960	2.2
261.08945	2.6
263.07083	3.2
264.07773	3.6
274.06155	2.3
275.06970	10.3
276.07794	3.0
279.10159	2.1
288.03928	2.1
292.07263	15.2
295.09793	3.4
302.05579	6.9
303.06494	41.9
303.13516	4.1
304.07257	3.3
305.04565	3.7
306.09210	3.1
307.09616	15.5
320.06796	38.0
335.09164	64.6
355.11810	11.7
367.11768	100.0
385.12790	70.3
444.83618	2.3
510.16122	2.2
522.91058	2.4
635.26355	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	635.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.6
55.33047	0.4
59.91380	0.4
60.05639	0.6
70.06596	1.1
72.08159	17.9
83.75851	0.5
85.02915	0.8
89.10801	0.8
97.07655	5.8
98.06047	1.1
99.40857	0.6
107.04988	0.8
114.10294	38.7
115.08689	5.4
120.08101	2.7
121.08475	0.7
131.12875	0.6
135.04430	2.0
140.08182	2.0
145.02881	2.7
163.03899	47.7
165.05562	1.2
166.08688	0.9
166.83041	0.5
210.11201	0.6
233.12793	3.7
234.11224	4.9
235.07510	5.7
251.07077	2.0
253.08588	0.6
254.11395	2.1
255.06389	1.0
263.07016	16.6
263.09586	0.9
265.04965	0.8
269.08087	2.4
276.13477	4.5
279.06491	15.0
280.07352	0.6
281.08057	10.9
283.05948	5.9
293.15985	0.7
295.06076	3.6
296.09283	1.0
297.07556	5.5
324.08759	3.7
325.07141	3.4
368.14984	1.1
395.16000	2.3
396.14514	3.4
438.16586	2.4
635.25659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03002	1.1
55.25443	0.9
60.11440	0.8
61.27409	1.0
70.06582	2.2
72.08162	25.8
81.03426	4.2
97.07656	15.0
98.06049	1.8
109.02900	1.0
110.02411	13.7
114.10298	27.4
115.08700	2.5
123.04442	4.3
126.15711	1.1
128.89764	1.1
139.03961	1.4
152.07082	36.9
163.03899	5.6
166.09982	1.1
169.09682	2.0
170.08144	1.9
194.09253	19.5
212.43591	1.1
219.07121	1.1
222.21211	1.0
240.12820	1.1
251.07237	1.0
255.02083	1.2
257.08185	1.1
263.06934	1.3
269.08182	2.3
279.06473	1.3
283.05945	4.0
297.07529	13.6
299.09296	5.4
325.06946	4.3
396.14462	2.4
438.16946	1.2
484.08652	1.1
635.25586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05859	2.9
53.55480	3.3
57.07063	22.0
71.08636	38.8
71.87170	3.5
77.28696	3.5
85.10168	21.5
87.04468	8.8
89.06034	100.0
91.05491	3.7
93.07052	5.9
121.06487	30.1
133.08604	29.6
135.08028	6.8
147.08020	7.9
149.09636	7.8
165.09135	3.6
177.11281	7.3
236.91133	3.6
247.20520	21.5
291.23123	5.7
335.25720	5.3
475.69846	3.9
617.42651	64.1
634.45526	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96099	1.3
56.57750	1.2
122.69376	1.3
136.93138	14.5
143.19366	1.3
154.94170	32.3
172.93816	1.4
172.95221	37.3
190.96323	5.5
192.95775	2.7
203.06157	1.2
210.96785	22.5
214.96344	2.3
228.97826	27.4
238.96179	2.0
246.98915	2.6
262.96289	2.8
280.97406	6.2
298.98392	29.6
316.99435	23.5
319.19427	25.7
337.20474	32.7
360.22208	1.9
389.70764	1.4
399.16028	5.2
455.18729	15.9
473.19781	52.7
496.21396	1.6
575.55164	1.6
635.25073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40915	0.2
51.55141	0.2
58.06587	1.3
67.32378	0.3
70.06575	1.8
71.95560	0.3
72.08161	5.4
84.08134	1.5
85.02890	1.4
89.03942	0.5
103.69927	0.3
112.11251	4.9
114.10257	0.4
117.03355	1.1
122.86752	0.3
123.04416	2.1
127.03962	0.3
129.13885	2.4
135.04422	1.4
145.02922	2.2
155.11830	1.5
163.03899	66.6
164.04202	0.4
165.05502	3.9
172.14479	0.5
176.46742	0.3
181.66898	0.3
219.11404	0.5
220.09685	100.0
222.11333	1.5
236.12813	12.0
236.15161	0.6
253.15489	1.4
265.15417	0.6
279.16998	0.4
291.17023	0.7
293.18607	12.7
310.21259	21.9
398.18216	0.7
454.23459	1.3
455.23898	2.3
472.25604	4.7
562.27545	0.3
634.29791	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41126	0.3
58.06602	1.5
67.15021	0.4
69.03408	0.6
70.06601	0.5
72.08156	5.5
84.08124	0.9
85.02910	4.4
89.03918	0.6
97.02883	2.3
109.02853	0.5
112.11243	4.1
115.28320	0.3
117.03346	0.8
123.04430	1.7
127.03887	1.0
129.13864	1.8
135.04396	2.6
145.02843	4.9
145.04924	0.9
155.11771	2.1
163.03889	100.0
165.05467	3.6
172.14474	0.4
219.11285	0.6
220.09671	84.8
222.09294	0.6
222.11243	6.6
236.12766	10.4
253.15494	1.9
263.85953	0.4
293.18573	14.7
293.21735	0.7
297.82288	0.5
310.21243	28.0
351.16559	0.5
359.01849	0.4
371.93503	0.5
382.15021	4.2
384.16629	0.8
399.41406	0.4
454.23132	1.0
455.22876	0.5
463.52496	0.5
472.24548	3.9
634.29688	98.2
639.24847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36219	0.6
58.06617	0.8
59.00692	0.7
60.40417	0.6
70.06598	3.3
72.08173	10.7
78.68192	0.8
83.70354	0.8
84.08166	1.8
85.02900	1.0
112.11266	1.8
113.07092	0.8
117.03409	0.8
123.04415	6.6
129.13884	1.3
135.04390	1.0
145.02879	1.8
155.11836	1.2
163.03896	57.2
165.05463	7.6
172.14543	0.8
198.09435	0.7
218.08180	3.2
219.08595	3.1
220.09688	51.6
221.10347	0.9
222.11250	51.5
229.20926	0.8
234.11235	5.4
236.12894	6.9
239.13911	2.9
293.18604	11.2
310.21204	15.0
368.12244	0.8
384.16632	1.9
472.24371	8.6
538.86731	0.9
634.29785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01266	0.5
58.06607	2.3
67.45827	0.6
69.03429	1.0
70.06602	5.9
71.17762	0.5
72.08160	19.2
72.88925	0.6
75.09275	0.6
84.08146	7.0
85.02911	3.3
89.10821	0.5
98.06065	2.3
99.06853	0.6
100.07624	7.7
103.39258	0.5
104.13433	0.6
112.11257	3.4
114.10318	0.7
123.04463	1.0
127.03943	0.9
147.04462	1.0
163.03894	21.1
163.05171	1.0
165.05539	3.1
220.09685	30.0
221.10500	1.1
236.09277	3.0
236.12955	2.8
237.10074	2.9
243.06642	3.6
267.06635	0.7
284.09140	1.3
285.07681	3.7
296.06549	0.8
310.21384	3.0
323.05420	0.9
324.05948	1.0
326.10330	2.3
356.15094	3.7
373.17758	3.2
383.16092	8.9
383.20807	0.8
384.14438	4.1
397.17703	4.4
398.16022	1.0
401.17340	3.2
454.23340	10.9
455.21741	21.3
472.24426	63.4
516.68091	0.7
517.59705	0.7
578.49921	0.7
634.29834	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	634.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79604	0.5
57.28165	0.5
57.36295	0.5
58.06597	1.1
58.50999	0.4
58.62479	0.4
64.07033	0.5
64.11119	0.5
70.06597	7.4
72.08160	11.4
72.58842	0.5
75.63664	0.5
84.08143	4.5
87.09246	0.6
91.05482	2.4
105.03393	1.2
112.11251	10.2
117.03390	2.1
119.04937	0.9
126.41859	0.6
129.13873	3.4
135.04437	2.8
145.02867	5.3
151.07555	0.8
155.11829	2.0
163.03897	92.1
165.05452	4.3
219.11263	1.1
220.09686	87.7
237.09166	3.2
283.09619	0.8
291.17078	0.7
324.15991	0.8
336.15979	0.8
341.18597	0.7
354.16986	1.3
391.31210	0.6
398.15836	2.1
411.22946	2.5
455.22177	1.0
463.53357	0.6
472.24619	0.8
491.56586	0.6
634.27600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03642	0.1
58.06607	0.2
72.08135	0.2
92.29115	0.1
110.59697	0.2
157.93178	0.2
160.07568	14.9
161.08360	0.4
170.09644	0.6
174.09140	0.3
186.09140	42.0
187.09926	28.6
195.33080	0.2
217.13399	1.1
218.14142	63.2
238.44357	0.2
317.18597	100.0
327.67398	0.2
331.20126	1.6
633.36511	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	634.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
90.78245	1.0
137.04552	1.0
141.17738	1.3
141.79739	1.0
144.01709	1.0
149.28578	1.0
233.02151	2.3
265.08316	1.0
281.26883	1.1
292.06949	100.0
373.74625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64131	0.4
59.70844	0.4
59.96803	0.5
63.67676	0.5
72.08163	26.6
85.02919	1.0
87.08075	0.5
87.28906	0.5
89.10288	1.0
89.10800	22.7
92.75958	0.5
114.10305	1.3
115.08688	1.2
135.04417	1.0
145.02850	2.3
163.03903	100.0
164.04305	1.0
194.04503	9.7
220.09561	0.6
222.03976	63.6
234.11255	17.8
251.13910	73.1
252.14270	2.0
295.05920	2.0
296.06357	3.2
384.09302	17.3
492.31058	0.6
613.31927	0.6
634.23804	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	633.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72316	0.2
65.06554	0.2
67.02575	0.2
72.47309	0.2
82.51919	0.2
88.11272	0.8
91.05471	0.5
95.71740	0.2
105.07016	0.3
107.04940	0.9
108.87050	0.2
119.04971	2.1
121.06467	0.4
123.04407	0.3
133.06490	0.4
142.93297	0.2
147.04422	2.0
149.05992	1.0
161.05995	1.1
161.49045	0.2
167.07040	100.0
171.14946	0.5
175.03905	6.3
181.08592	1.9
192.04300	0.3
193.08621	4.3
199.14406	3.2
207.06541	10.8
211.09660	13.1
301.12064	0.2
354.71548	0.2
417.14941	0.3
423.21292	1.3
487.72113	0.2
633.30231	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	633.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70240	0.6
53.43560	0.8
57.65887	0.7
58.06604	15.0
59.07390	5.7
60.08175	26.3
70.06599	9.8
72.08155	2.8
78.00333	0.6
79.48544	0.6
91.05480	3.7
92.39129	0.7
96.04481	0.9
98.06060	5.0
103.05470	3.1
103.60180	0.8
104.06290	0.7
105.07047	7.4
117.07009	0.8
120.08097	6.0
131.04935	27.0
136.07622	1.6
146.06030	17.6
148.11217	1.6
154.20273	0.7
157.10193	1.0
159.08080	3.1
159.11739	1.1
160.07593	0.8
160.11182	7.1
163.07512	3.4
164.07088	2.8
164.17915	0.7
165.05469	1.0
166.08606	0.8
172.11238	3.3
173.09654	2.6
174.05580	0.9
174.12787	5.4
176.10732	5.8
184.21019	0.7
188.10722	0.7
192.06593	3.6
200.10703	18.5
202.12276	7.0
202.14000	0.8
205.08540	6.7
222.11322	4.8
228.10243	3.9
243.11374	1.4
246.11250	0.8
259.18094	12.2
261.19620	24.2
287.17593	1.2
347.01160	0.9
425.08963	0.9
440.25244	1.5
449.65430	0.8
452.25558	4.5
475.92355	0.8
510.00143	0.7
633.32880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44083	4.4
92.17783	6.3
96.50859	5.2
115.52313	4.4
124.46686	4.1
138.38985	4.5
144.08043	7.6
162.05435	33.9
162.09135	18.9
167.06998	5.2
170.09627	39.5
171.10197	10.8
174.05435	6.1
177.21921	4.2
189.06592	19.2
202.14494	5.0
203.15109	5.3
204.10191	100.0
212.14146	4.3
222.11313	17.2
229.06081	22.7
255.11249	4.8
282.13330	30.1
291.11230	7.0
301.11816	10.0
334.11752	35.2
352.12973	9.6
361.94626	4.5
447.26816	4.8
466.18854	5.3
498.19278	15.3
510.69806	4.6
633.25867	19.7
633.38348	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67631	0.7
60.44180	0.7
64.20045	0.6
76.86207	0.7
82.56641	0.7
104.74183	0.7
122.09691	0.8
129.29663	0.7
132.92209	0.7
144.08076	2.9
145.71121	0.8
160.00551	1.0
167.07034	2.9
169.15376	0.7
170.09627	9.7
171.10257	5.6
172.10823	1.2
202.14656	4.4
226.07382	0.8
289.11951	0.8
297.08633	1.1
315.43228	0.8
323.39996	0.8
329.11337	7.3
389.14984	1.7
391.15479	3.6
406.17627	59.6
434.17453	1.3
435.15616	0.9
458.43442	0.9
465.19052	4.3
466.19736	100.0
496.20667	9.0
603.28259	4.0
633.29248	78.3
633.38403	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	633.2561
Annotation	C18154
Peak:m/z	Relative Intensity
55.62951	0.5
60.90950	0.6
64.34696	0.7
65.72657	0.6
70.06591	0.9
74.41450	0.6
81.26306	0.7
86.09707	0.7
89.79005	0.7
105.15432	0.7
170.09763	0.9
200.07027	0.9
204.06711	0.8
218.08199	3.4
222.07669	2.8
224.10648	2.9
226.08574	6.2
228.10277	1.3
240.10210	12.9
243.11293	19.6
244.09683	15.1
246.11397	0.7
252.10254	1.2
255.11383	1.6
256.66415	0.7
258.11099	0.7
268.09732	2.9
270.11258	3.4
271.10791	1.1
276.12158	0.9
282.11319	3.2
285.12381	3.8
286.10767	25.5
286.13889	1.3
288.12415	1.4
301.11856	1.1
304.11807	100.0
306.13190	6.0
310.10855	1.1
312.12207	1.1
328.11758	12.6
329.12567	1.1
330.13345	1.4
331.13159	0.8
346.12888	19.1
348.14621	1.0
355.12866	1.1
373.13895	1.3
391.15521	0.9
528.21094	1.1
539.85443	0.7
546.22418	1.1
570.22345	3.2
588.23352	9.3
591.24219	3.6
597.23108	1.2
615.24591	7.6
633.25562	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2567
Annotation	C18154
Peak:m/z	Relative Intensity
67.05517	0.7
70.06591	0.9
92.17836	0.8
94.58133	0.5
95.04981	0.7
106.06526	0.7
112.07624	3.1
130.08646	1.1
134.06056	1.0
161.07143	2.0
162.05502	10.1
172.09698	2.4
187.08698	0.5
191.11781	2.4
204.06551	0.7
210.09152	1.1
212.10715	0.8
222.07607	1.1
227.08186	5.1
227.11736	9.2
238.08710	1.2
240.08905	3.6
241.09697	5.9
242.10440	1.0
255.11287	100.0
257.12897	2.5
264.08713	0.5
268.08478	2.3
273.12360	0.9
283.10803	9.8
301.11838	69.4
315.13382	16.9
345.79340	0.6
454.19748	6.9
472.20776	3.3
633.24158	0.8
633.39502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72102	1.1
60.49764	1.6
72.08180	2.0
95.80444	1.4
112.76501	1.6
124.03940	10.7
138.09154	10.1
173.09639	1.9
255.11330	2.2
299.10278	2.1
301.11707	1.9
305.12668	2.2
317.09299	2.1
319.10736	2.6
331.10837	6.5
333.12378	9.0
334.11765	1.6
345.08594	3.5
348.13583	6.1
349.10532	37.7
350.11392	8.9
359.10132	22.0
361.11774	9.3
362.11285	36.1
363.12219	2.3
364.13000	10.0
376.12955	12.1
377.11005	25.6
378.14514	11.3
379.12643	2.4
382.29047	1.5
387.09601	2.2
394.14026	7.3
404.12662	11.0
405.10895	21.6
422.07755	2.0
422.13443	42.1
423.14438	1.8
455.20728	7.2
464.14545	100.0
467.73230	1.9
470.88522	1.9
519.97687	1.8
585.23187	9.6
603.24536	83.6
633.28107	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	633.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36113	0.3
55.01871	2.4
55.03002	0.3
55.05507	0.5
59.04881	4.5
60.05656	3.7
60.86406	0.3
65.56214	0.3
70.06596	3.1
72.04490	0.3
72.05643	0.6
72.07751	0.6
72.08160	17.2
73.06422	3.5
81.03412	0.6
84.04519	2.7
86.07195	27.0
87.07977	31.0
89.10803	1.7
97.07651	4.8
98.06052	3.5
100.08747	7.4
101.09538	2.7
102.12105	0.4
109.02876	0.6
112.08749	0.6
114.10294	23.0
115.08690	8.4
115.11097	1.4
119.06924	0.5
119.30125	0.3
125.10759	11.5
126.09160	17.9
129.11363	0.5
129.95967	0.4
130.12148	8.7
131.12930	3.0
133.91321	0.4
140.08192	1.6
143.11812	0.6
145.52797	0.4
157.10844	9.6
158.11618	5.9
163.03909	5.2
164.04308	0.5
168.11325	9.6
185.13982	38.0
186.14769	4.2
218.13759	0.7
225.35588	0.4
236.12926	0.5
241.04892	0.5
249.05566	0.7
251.07028	0.8
251.13889	3.5
255.06544	9.3
267.06534	2.4
269.04416	3.2
269.08145	0.8
277.04950	0.7
279.06635	1.7
280.06168	0.6
281.04391	2.8
294.04022	0.5
295.06006	22.6
296.09183	0.4
297.07593	14.5
299.05661	0.5
311.06708	1.7
322.07114	3.2
323.05511	18.9
340.08258	0.7
350.54697	0.4
365.07349	0.5
365.11301	2.2
382.13864	0.7
394.12979	2.4
414.19235	0.4
436.15143	2.9
450.21066	0.4
486.44461	0.4
633.23999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48254	0.6
55.05500	0.9
56.01706	0.5
60.05646	0.7
70.06577	2.7
72.08156	10.7
76.41688	0.5
81.03398	0.8
83.05456	0.5
84.08141	0.7
86.07183	0.7
88.23334	0.6
89.10785	0.9
97.07661	4.6
98.06051	12.2
108.33259	0.5
114.10284	22.8
115.08697	9.6
123.04398	1.1
123.66539	0.7
131.12886	3.1
133.02823	1.3
135.04420	5.9
136.05170	2.5
137.02348	0.9
137.05980	0.7
140.08174	1.3
147.04385	2.8
151.03854	1.0
155.11777	2.2
157.10867	4.8
161.02309	3.4
163.03896	42.8
172.14523	0.7
173.02351	2.2
177.05469	0.6
178.04842	0.9
183.27541	0.6
187.03896	8.3
218.68657	0.5
220.09636	1.1
221.57616	0.5
222.11174	1.3
233.05952	1.3
233.10629	0.7
233.12733	4.7
234.11214	8.8
246.12451	0.9
251.06949	1.2
251.13919	0.7
261.05478	0.8
269.07867	1.1
274.11850	1.2
275.12729	2.2
276.13458	9.6
279.06500	5.7
281.04434	1.0
292.15292	12.4
293.16119	15.7
295.05917	4.5
297.07593	16.4
301.14111	0.6
323.05441	7.6
394.12830	1.1
418.22708	0.6
421.06296	0.6
425.17798	0.8
436.14850	0.7
461.10553	0.8
471.22949	0.7
633.23834	100.0
657.15118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.7
60.05627	1.4
69.03397	1.1
69.92657	0.9
70.06604	8.9
72.08160	13.8
84.08095	2.1
85.02889	1.7
97.07616	2.0
98.06058	19.3
109.02858	1.3
112.11201	1.9
114.10307	12.6
115.08672	7.8
123.04405	1.8
129.13821	1.2
133.02774	1.5
135.04405	9.5
136.05180	1.8
137.02304	1.0
140.08231	1.5
145.02777	1.5
147.04384	2.5
155.11734	1.4
157.10783	1.5
161.02261	3.9
163.03906	59.4
164.04153	6.7
165.05431	1.6
187.03952	10.7
218.08099	1.4
220.09709	13.9
221.09979	4.7
222.11128	5.0
232.11926	1.2
233.06096	1.1
234.11105	5.7
251.07007	2.5
269.08206	1.4
274.11731	1.6
275.12473	1.5
276.13214	1.7
279.06430	5.9
291.14291	1.4
292.15201	9.5
293.15967	5.1
295.05899	6.7
297.07578	26.2
305.05051	1.0
309.19800	1.4
310.78604	1.2
313.06696	1.2
323.05417	10.8
341.06464	1.9
394.12589	5.2
633.23608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20015	6.9
50.60068	6.8
54.46787	6.1
56.87544	6.9
57.07056	9.7
71.08624	32.3
80.05173	6.5
89.06044	100.0
92.18439	10.6
107.18915	7.4
133.08649	16.4
133.76471	6.6
177.11285	11.0
229.12274	17.1
230.12642	14.2
242.07552	8.9
357.84973	7.7
370.15765	9.0
528.31763	17.8
542.29425	8.7
615.42676	24.4
632.45587	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53812	0.5
55.05507	1.1
60.05637	1.0
60.20824	0.5
69.03413	0.7
70.06596	1.0
72.08162	10.4
84.08156	1.0
93.81535	0.6
94.23623	0.7
97.07657	5.0
98.06058	17.0
103.31876	0.6
108.96541	0.5
109.02871	0.9
114.09525	1.1
114.10294	23.7
114.11092	0.9
115.08714	8.9
123.04449	1.1
131.12904	2.5
133.02832	2.8
135.04411	11.0
135.14978	0.6
136.05177	3.2
137.05977	2.3
140.08218	1.1
145.02806	0.9
147.04433	1.4
151.03908	2.3
152.07053	1.1
157.10828	0.7
161.02333	3.8
163.03899	50.2
173.02328	1.4
178.05000	0.8
187.03906	6.0
194.09210	1.0
220.09702	0.6
233.06006	0.7
233.12808	8.1
234.11238	9.8
246.12355	1.0
251.07066	0.7
251.13905	0.9
269.08145	0.7
274.11893	2.7
276.13480	9.7
277.04776	0.8
279.06598	3.7
289.11557	0.7
292.15332	0.8
293.16113	19.8
295.05997	3.6
297.07590	14.7
323.05438	5.5
394.12695	0.7
546.62030	0.7
633.23926	100.0
661.94977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52136	0.2
58.06596	1.1
70.06580	0.4
73.43686	0.2
85.95353	0.2
92.18468	0.5
102.22995	0.3
104.15968	0.3
107.42625	0.3
122.09640	0.3
144.08098	25.6
145.08949	0.8
159.10445	0.4
160.11264	0.3
170.09653	100.0
171.10428	33.2
171.75017	0.3
184.11275	0.4
186.11554	1.2
187.12256	0.5
198.12804	1.8
199.12315	12.7
201.13879	7.7
202.14655	40.3
213.13927	0.4
226.12173	0.3
241.17065	0.6
255.18668	0.5
269.20096	3.6
301.31799	0.3
302.08102	0.3
367.23944	1.1
368.24472	2.8
369.25357	0.5
555.36908	8.1
569.38727	1.8
632.38110	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05703	0.4
53.52465	0.3
54.66480	0.4
56.60545	0.4
58.06585	0.6
69.09634	0.4
71.67290	0.4
72.75420	0.5
82.39613	0.5
108.26232	0.5
124.82808	0.4
144.08080	26.0
145.08882	0.9
170.09641	100.0
171.10420	36.0
186.11497	0.6
187.12257	0.7
198.12842	1.7
199.12296	12.2
201.13858	6.8
202.14653	38.6
227.42944	0.5
269.20123	2.5
301.19235	0.8
367.23892	0.7
368.24631	2.7
436.35678	0.5
555.36951	7.0
569.38354	1.8
632.38074	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09872	0.4
70.06571	0.5
72.08157	27.7
89.03894	0.6
89.10794	25.0
98.06037	0.8
101.90395	0.5
103.23224	0.4
115.08676	1.8
135.04381	0.4
145.02873	1.9
163.03899	100.0
227.52354	0.4
234.11249	19.7
251.13896	72.8
269.34393	0.5
419.65955	0.5
487.78607	0.5
632.26318	2.4
659.03589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21490	0.6
57.83809	0.6
84.21787	0.7
144.08067	0.8
152.34032	0.7
160.07578	37.8
170.09624	3.7
174.09106	1.1
186.09146	100.0
187.09932	25.7
202.10802	2.1
217.13335	6.1
218.14125	12.3
502.96442	0.7
568.58783	0.7
632.32257	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78847	0.7
58.06594	1.0
61.24065	0.9
67.86876	0.8
69.03429	1.5
70.06583	7.4
72.08158	15.9
83.91449	0.8
84.08156	8.6
85.02929	1.7
85.91962	0.9
94.67986	0.9
112.11257	8.9
113.07143	2.2
129.13870	7.0
147.04443	1.4
155.11787	18.2
163.03932	12.7
164.02235	0.9
165.05513	4.7
166.37790	0.9
171.94633	0.9
172.14459	5.3
179.05000	0.9
192.44310	0.9
207.06572	1.6
215.82864	0.9
283.05930	8.8
287.50699	1.2
324.08810	3.9
371.15936	5.8
381.14572	4.6
382.12885	6.0
396.14508	1.7
399.15570	1.6
412.74371	1.1
452.21823	8.9
453.20255	22.6
470.22903	15.0
615.25696	2.0
632.28186	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18538	0.7
54.49999	0.8
57.33299	0.9
70.06591	5.4
72.08154	14.8
84.08144	3.3
85.02912	4.0
90.74759	0.8
95.08609	5.1
96.31619	0.8
109.02888	1.2
112.07637	1.5
112.11216	6.3
114.10266	1.3
117.03367	1.2
123.04404	1.3
129.13863	4.0
135.04448	4.2
141.09145	1.3
145.02876	5.4
146.16550	3.7
154.49684	0.9
155.11864	3.9
159.10181	1.4
163.03903	100.0
163.71333	0.9
190.04967	1.0
218.08133	15.7
220.09688	65.0
222.11273	1.2
234.11209	10.3
237.12347	1.1
273.09924	1.3
291.17065	9.7
308.19730	20.6
322.07193	1.1
381.10733	1.0
382.15140	2.3
399.12872	1.5
470.22858	8.5
527.65649	0.9
585.78510	1.0
632.28192	89.6
642.04559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19573	0.3
57.53604	0.3
57.96298	0.3
58.06596	0.6
59.46251	0.3
61.02919	0.5
63.83588	0.4
65.52058	0.3
69.03405	0.8
70.06573	2.3
72.08159	7.9
72.16563	0.3
75.09208	0.7
75.21346	0.3
75.50066	0.4
81.03441	0.5
84.08129	0.6
85.02917	3.6
89.03869	0.7
95.36756	0.4
97.02876	1.6
100.07641	0.5
109.02847	0.6
112.11254	2.9
114.10271	0.5
127.03904	1.7
129.13872	2.4
135.04417	2.6
145.02846	5.4
145.05061	0.5
146.16542	3.4
155.11815	2.8
163.03894	100.0
172.14442	1.6
190.05066	0.5
218.08112	6.3
219.11208	0.9
220.09680	59.7
220.93953	0.4
222.11241	0.5
234.11267	5.5
290.18701	0.5
291.16949	5.4
305.86407	0.4
308.19678	10.7
382.15018	5.1
452.21567	0.6
453.21008	0.6
470.23328	3.4
632.28162	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06238	0.3
51.73687	0.3
55.01875	0.7
57.03466	0.3
62.41401	0.4
65.03928	0.5
70.06605	0.4
72.08137	0.3
75.04472	0.8
79.05490	0.5
85.02892	2.4
85.51865	0.4
89.06038	0.6
91.05503	3.3
93.03410	9.8
93.07019	1.8
95.04971	0.9
97.06576	0.5
103.05456	1.4
105.07015	0.9
106.04169	7.7
107.04951	1.6
109.06544	0.7
119.04914	1.7
121.06503	13.0
123.04424	0.6
125.05995	4.8
131.04945	0.8
133.06467	0.8
134.03610	0.7
135.04414	0.9
137.05969	12.7
139.07550	0.8
145.02881	0.5
147.04422	0.7
149.05988	37.2
151.07558	6.3
153.09109	9.2
155.07027	0.5
161.05928	1.0
163.02667	0.4
163.03847	3.7
163.07552	1.0
165.05458	9.8
167.07030	17.8
171.09964	0.4
177.05464	24.3
179.07031	53.9
180.93814	0.4
181.08604	18.1
183.06511	1.6
191.07021	6.3
192.07811	1.6
193.05002	1.5
193.08554	3.9
195.06526	0.4
197.08093	5.1
207.06558	0.8
209.08087	100.0
211.09618	3.2
225.07570	80.9
354.09662	0.4
371.13370	1.0
385.12772	0.7
405.15445	2.6
417.15433	2.4
437.22995	0.5
448.64462	0.4
584.97229	0.5
632.30853	0.6
656.09827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48838	0.2
57.30847	0.2
64.06373	0.2
70.06580	0.6
72.08143	0.3
84.08167	0.2
85.02909	0.6
92.17775	0.3
105.07097	0.3
107.04932	0.4
121.06515	0.3
123.04470	1.7
133.06508	0.3
149.05966	1.3
151.07513	0.3
155.07057	1.8
157.35773	0.3
161.06018	0.4
163.03937	1.2
165.05556	0.3
167.07030	100.0
179.07025	1.1
181.08519	1.7
183.06516	7.3
193.08583	4.1
211.09641	21.3
218.08127	0.3
220.09702	1.3
222.11287	1.4
223.11708	0.3
225.07556	11.1
249.84160	0.3
274.38403	0.3
280.80417	0.2
357.15707	0.2
435.16531	1.6
632.28967	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	632.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18642	0.4
54.17844	0.4
55.01871	0.6
59.80750	0.4
65.03947	0.5
70.06595	0.5
70.17077	0.4
72.08157	0.6
75.04469	1.9
79.05478	0.5
85.02894	5.0
89.05996	0.8
90.26910	0.4
91.05477	3.2
93.03407	7.8
93.07049	1.9
95.04967	0.9
97.02910	1.6
99.16504	0.4
103.05450	1.9
105.07046	0.8
106.04182	7.8
107.04964	1.0
109.06509	0.7
119.04932	1.8
121.05693	0.7
121.06501	16.6
123.04379	0.7
125.05975	6.4
127.03944	0.7
130.86534	0.5
131.04919	1.9
133.06464	2.4
134.03615	0.9
135.04420	0.8
136.05171	0.9
137.05980	14.1
139.07529	0.8
145.02831	0.6
147.04391	0.8
148.05186	0.9
149.05983	36.8
151.07533	6.9
153.09103	10.1
155.07028	0.6
161.05931	3.5
162.07530	0.4
163.03906	3.3
163.07520	1.8
165.05458	12.3
167.07024	6.2
177.05460	21.7
178.24835	0.4
179.07024	66.6
181.08591	19.6
183.06514	2.6
191.07018	6.9
192.07822	0.7
193.04948	1.1
193.08612	7.3
195.06432	1.1
197.08087	6.5
209.08086	100.0
221.08087	0.6
222.11305	0.8
225.07565	82.6
297.01938	0.5
311.03900	0.6
341.12167	1.0
371.13400	1.0
405.15451	2.5
417.15451	2.5
419.17038	0.5
435.16895	0.5
632.27411	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	631.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20765	10.3
70.11682	9.0
81.07050	26.5
95.08610	16.7
107.04914	10.8
117.57296	10.2
121.79598	11.9
124.25928	10.0
129.06929	10.8
131.08571	13.8
157.06508	19.0
159.07999	14.4
159.38547	10.8
167.07027	67.2
181.08510	100.0
189.09087	46.4
191.10669	17.3
236.06311	10.4
315.12027	11.2
329.10779	12.5
343.15216	16.5
345.16928	43.1
349.83948	12.0
361.16425	51.9
363.18045	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.314
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	13.5
58.98627	1.1
59.02868	1.0
59.07384	7.4
59.57687	1.2
60.08173	24.3
76.02480	1.0
85.02915	1.1
86.06078	2.3
88.03979	1.2
91.05474	1.8
103.05486	2.6
111.24603	1.3
120.08113	44.5
126.81881	1.1
130.06532	1.5
131.04918	17.2
132.08134	1.9
134.09654	1.2
136.07603	4.6
140.84741	1.3
146.06033	2.5
148.07646	2.3
148.11266	5.6
165.05475	1.6
170.09427	1.1
174.09146	6.9
182.08107	1.4
186.09151	7.6
187.09904	1.9
192.10120	1.8
198.09256	1.6
207.14998	4.7
215.11719	1.9
216.10266	1.9
217.11034	1.7
222.12758	2.6
264.37628	1.2
275.17590	2.5
631.31311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07557	0.8
53.26931	1.0
53.96776	0.9
54.33206	1.0
62.23444	1.2
62.89620	1.0
69.39619	1.2
70.06599	100.0
71.58826	1.1
72.08155	7.9
91.05473	5.2
98.06069	1.3
110.09689	23.4
127.12313	4.8
137.06046	1.4
145.02844	1.3
153.10220	5.9
155.11853	1.5
163.03900	23.1
181.33499	1.3
185.65530	1.3
193.04997	8.3
220.09698	18.0
224.10635	2.3
237.12312	8.5
240.10178	2.2
252.10188	36.6
262.08609	4.9
263.09454	7.3
266.11758	6.3
268.13416	1.8
276.10367	2.8
278.08246	2.4
280.09555	1.3
292.09744	5.0
294.11240	45.5
351.17023	5.2
363.17065	30.1
365.18716	1.8
420.22809	43.2
454.77316	1.3
477.46707	1.3
487.83362	1.5
599.28699	44.7
631.31195	28.9
644.33984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06829	1.7
57.07087	32.5
65.95151	1.1
69.07064	1.4
71.08638	24.6
73.06561	6.5
85.10180	18.9
87.04479	8.2
89.06038	100.0
97.10160	1.4
99.11737	1.2
100.19951	1.1
117.09155	5.4
133.08618	29.0
149.91180	1.4
155.18021	1.2
160.56641	1.1
177.11194	7.6
221.13878	3.9
243.23222	5.6
265.16531	1.2
287.25854	2.5
309.19025	1.8
353.21909	1.2
456.68851	1.0
459.27975	8.6
545.58588	1.1
569.42914	1.6
613.45245	36.8
630.37592	2.3
630.47931	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05550	0.7
58.06618	0.8
61.48043	0.7
62.16308	0.7
64.52058	0.7
70.06597	12.2
72.08161	10.8
84.08157	3.7
89.98505	0.8
100.07623	10.6
110.09682	1.5
112.11230	5.9
123.04435	17.4
135.04402	0.9
136.07549	0.8
152.07133	1.4
155.11847	1.6
162.05536	3.9
163.03882	10.4
164.07024	0.9
165.05464	20.9
177.28197	0.8
190.08670	1.8
192.06602	3.5
218.08144	13.4
220.06123	4.5
220.09682	10.3
221.12669	1.0
222.11246	88.9
236.09268	3.0
236.12817	8.9
244.06004	1.5
248.05402	1.4
260.09274	1.2
261.12372	0.8
262.07092	28.4
264.08743	1.2
272.58499	0.8
280.08218	4.0
290.06439	1.4
291.13544	0.9
293.18726	5.4
310.21246	1.9
317.11218	1.0
319.12793	1.6
324.08539	1.5
333.14410	1.1
335.16241	5.8
347.12521	4.6
361.13919	12.8
375.15790	0.9
379.15134	4.1
380.09805	1.1
451.23547	3.3
455.86841	0.9
587.30713	11.5
613.28693	17.2
631.29602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12359	0.5
55.01869	1.1
56.33184	0.6
58.74979	0.5
65.03940	0.5
68.99780	0.9
70.06574	2.8
72.08153	1.2
75.04483	2.1
85.02901	4.3
91.05476	5.6
93.03412	12.6
93.07038	2.2
95.04962	3.4
97.06499	0.7
100.83890	0.5
103.05444	1.9
105.06992	0.9
106.04176	12.1
107.04940	2.0
117.03367	0.6
119.04943	0.6
121.06503	20.3
123.04488	1.6
123.08145	0.6
125.06002	8.9
128.22514	0.5
131.04916	4.1
132.05772	0.6
133.06477	2.5
134.03609	1.1
135.04404	2.2
137.06006	1.1
139.07544	2.2
142.76421	0.7
144.08067	4.1
145.02800	1.0
147.04401	1.2
148.05173	2.4
149.05986	53.0
151.07550	3.4
153.05443	0.9
153.09119	14.8
155.07039	0.6
158.27705	0.5
161.05965	2.7
163.03902	8.0
163.07542	3.1
166.06186	0.6
167.07036	5.2
170.09622	11.8
171.10449	2.7
177.05469	30.1
179.06984	2.2
180.04166	1.0
180.07715	0.6
181.08592	24.1
182.09393	2.5
183.06509	0.9
191.07024	7.9
192.07784	5.6
193.08594	4.1
195.06514	4.2
202.14641	2.0
207.06491	1.0
207.98405	0.5
209.08089	100.0
210.08842	0.9
220.09773	0.5
223.06023	20.9
225.07536	2.3
261.07593	0.6
387.14523	0.6
401.12158	0.9
415.13937	1.0
487.87747	0.6
591.67010	0.6
630.28101	8.6
648.42932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
60.04540	0.4
67.05490	0.5
68.99786	0.8
69.03429	0.6
70.02968	0.5
70.06580	0.7
72.08147	2.5
75.04462	3.2
79.05474	0.7
84.04513	1.2
84.08141	1.0
85.02903	4.3
86.09708	2.2
91.05473	6.6
93.03407	14.1
93.07023	3.4
95.04954	2.0
97.06586	0.6
98.52770	0.5
103.05460	3.4
103.58952	0.5
106.04182	12.5
107.04971	1.1
119.04923	0.9
121.06504	22.8
123.04436	0.7
123.08046	0.7
125.06005	8.4
129.10237	0.7
131.04887	2.8
134.03583	2.0
135.04416	2.6
137.06067	1.6
139.07539	2.8
141.32147	0.5
145.02821	0.8
147.04398	0.7
148.05165	0.8
149.05984	53.4
151.07526	2.5
153.05544	2.1
153.09102	12.7
153.10242	1.0
160.05151	0.6
163.03920	7.2
163.07542	2.4
163.50095	0.5
166.06128	0.8
167.06999	5.9
169.57559	0.5
170.09700	0.7
177.05460	29.1
179.07002	0.7
180.04222	0.8
180.07867	2.1
181.08583	21.2
182.09367	1.2
183.06567	0.7
185.16542	1.1
189.94446	0.5
191.07048	8.6
192.07791	5.5
193.08650	2.6
195.06369	3.9
209.08087	100.0
210.08859	0.7
223.06006	21.2
371.13394	0.7
401.12463	0.8
403.13388	0.6
415.13818	1.0
630.31134	0.8
656.76306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16729	0.3
57.07079	0.5
61.02933	0.5
69.03418	1.9
69.07072	0.8
70.06574	0.4
70.58715	0.4
72.04509	3.1
72.08167	0.5
73.02903	0.4
80.04837	0.4
81.03406	0.8
85.02487	0.5
85.02916	8.2
85.06526	1.8
86.06095	0.5
86.09723	0.5
87.00850	3.0
87.04465	0.8
90.05561	48.2
95.04971	0.9
97.02924	2.8
98.02419	3.6
99.04439	1.4
100.03985	0.4
103.04018	0.4
103.07578	2.2
104.07116	0.8
105.01893	3.2
109.02873	2.4
116.03461	7.6
121.72450	0.4
124.07595	3.6
127.03920	4.7
142.08646	2.5
145.04959	0.8
156.10139	0.4
159.02867	0.8
160.09735	0.8
166.08609	1.6
171.36134	0.4
174.11275	2.0
177.05473	0.8
180.39372	0.4
184.09700	16.0
202.08853	0.8
202.10750	25.9
220.11809	100.0
231.04988	0.7
292.51849	0.4
371.82935	0.4
468.17053	14.5
630.24170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27843	0.5
51.91916	0.5
51.92861	0.5
53.66756	0.5
60.13969	0.7
70.06583	0.8
72.08150	0.9
77.76086	0.6
80.50743	0.6
84.05138	1.1
84.05635	25.5
85.13206	0.6
85.32747	0.7
103.87968	0.7
109.31332	0.6
113.80797	0.6
142.71468	0.7
148.07539	0.6
153.59972	0.7
163.03897	0.9
166.08653	0.8
194.08112	4.6
208.10899	3.3
236.10266	1.5
239.06673	0.7
240.13472	1.4
254.11345	100.0
512.31244	0.7
590.83453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46525	0.4
55.17550	0.5
55.63973	0.4
56.81195	0.4
57.67816	0.4
58.06590	0.7
62.34939	0.5
62.97633	0.5
86.15882	0.5
89.81778	0.4
93.03427	0.5
96.08149	0.5
119.34787	0.5
121.06519	0.7
144.08087	27.9
145.08867	2.0
149.05957	2.5
156.97076	0.5
158.09598	4.5
167.07025	1.2
170.09634	100.0
170.57841	0.6
171.10413	29.3
181.04959	2.4
187.12286	0.9
191.06989	1.0
192.07477	0.9
197.85995	0.6
198.12752	0.6
199.12321	0.8
201.13893	6.8
202.14650	20.5
203.15443	0.6
209.08072	2.7
210.08498	1.2
212.02219	0.5
212.14420	0.6
255.18663	0.5
269.20105	1.0
328.12912	0.5
367.23718	0.8
555.36646	0.9
569.38501	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	2.1
59.48758	0.5
62.81463	0.5
65.23581	0.4
86.26917	0.6
102.24580	0.5
113.51026	0.5
144.08090	27.7
145.08894	1.1
158.09663	4.5
167.07025	0.8
170.09645	100.0
171.10429	25.0
177.52231	0.5
181.04947	1.0
184.11269	0.9
187.12471	0.6
199.12148	0.5
200.54892	0.5
201.13887	8.5
202.14633	19.6
212.14384	0.7
248.43309	0.5
269.20099	1.1
279.35892	0.5
316.99081	0.5
400.61920	0.5
506.03876	0.7
555.37024	0.7
569.38477	64.7
629.34827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.7
69.99963	0.4
70.06581	0.5
73.45110	0.3
84.13856	0.4
94.21846	0.3
120.08083	0.6
127.49550	0.4
132.02831	0.3
137.64149	0.4
144.08089	30.9
145.08865	0.8
156.90291	0.4
158.09598	5.8
158.10718	0.5
159.10417	1.4
160.11208	0.6
167.07034	0.5
170.09639	100.0
171.10420	30.1
172.11177	0.7
181.04950	0.5
184.11227	0.8
186.11595	0.6
187.12283	1.4
192.71204	0.4
197.13432	0.4
198.12810	0.6
199.12355	1.7
201.13869	9.3
202.14651	20.3
209.08096	0.5
212.14378	0.6
217.99178	0.4
220.13190	0.3
225.49672	0.3
225.99248	0.4
269.20132	0.8
330.69379	0.4
345.49155	0.5
367.23846	0.6
441.14059	0.5
555.36884	0.8
569.38495	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53090	0.6
55.19959	0.5
55.60582	0.6
58.06612	23.2
59.07394	16.0
60.08173	29.5
65.76564	0.5
66.70981	0.5
68.42853	0.5
70.06601	4.1
71.07365	1.1
76.86681	0.7
84.72215	0.6
91.05481	3.3
98.06081	0.7
103.05476	2.5
104.06259	6.9
105.07041	1.3
110.06038	3.9
115.13473	0.7
120.08112	20.3
130.06535	0.7
131.04939	12.6
132.08084	0.9
134.09691	3.7
136.07584	5.6
146.05983	3.2
148.11241	3.8
162.05508	1.1
172.11177	0.8
176.10667	4.3
177.09091	1.0
179.07039	1.3
186.09203	1.5
188.10741	4.0
189.09155	3.8
190.12445	0.7
196.09761	1.4
198.09018	0.8
200.10681	6.7
201.11517	3.4
202.08643	0.9
202.12271	0.7
207.14909	0.9
219.10178	3.3
222.12805	2.7
231.10138	5.2
236.12874	4.0
239.10606	0.7
246.11354	0.8
248.12804	5.7
259.18130	6.0
261.19534	0.9
309.12399	2.5
570.26141	1.4
601.33704	4.7
629.33392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91848	0.4
58.06606	6.0
58.24976	0.5
59.07378	2.9
60.07873	0.6
60.08171	17.8
64.91790	0.5
84.08135	0.7
91.05482	3.1
97.98557	0.5
103.05479	3.1
104.06265	0.7
105.07046	2.7
106.06568	0.9
107.90929	0.5
119.07358	0.5
120.08105	47.6
124.07613	0.6
130.06503	3.9
131.04929	18.8
132.08125	1.1
134.09679	0.8
135.69405	0.5
136.07570	2.4
146.05998	0.9
148.07567	5.5
148.11258	3.6
160.07607	0.6
165.05508	0.8
173.09654	0.6
175.08662	1.1
177.09151	2.9
181.29953	0.6
186.12871	1.1
189.09079	0.8
190.12282	7.1
200.10677	5.1
202.12311	7.2
203.08151	0.8
207.14880	6.3
214.12273	3.4
215.08157	0.7
215.12999	0.5
216.13774	0.7
219.10176	6.2
222.12772	5.1
223.70126	0.5
231.10081	4.0
236.12787	1.0
242.11754	0.5
248.12918	3.7
250.12483	0.6
267.14856	0.6
291.09738	0.5
291.13297	0.6
307.14334	0.6
337.30688	0.6
349.19080	0.8
367.20206	1.0
377.13559	0.5
426.06000	0.5
497.24768	0.5
570.25787	6.6
601.34125	4.0
629.33362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	7.4
59.07376	3.5
60.08175	17.1
60.27291	0.5
67.73379	0.5
74.68739	0.7
84.08139	1.0
88.78553	0.6
91.05487	3.5
93.07027	0.8
103.05467	5.1
104.06276	0.9
105.07033	4.2
106.06563	1.3
110.06090	0.7
117.06976	0.9
119.07340	1.1
120.08109	52.0
124.07613	1.4
130.06529	5.0
131.04932	19.9
132.08018	0.9
134.09621	0.8
136.07610	2.8
146.05994	0.9
147.04402	0.7
148.07562	11.3
148.11226	4.1
155.32582	0.6
159.22522	0.7
160.07523	0.9
165.05440	1.0
173.09593	0.7
175.08665	1.4
177.09155	3.0
182.08192	1.0
187.96571	0.7
188.07111	0.6
189.09038	2.1
190.12263	8.8
200.10629	4.3
201.06549	0.7
202.12289	7.9
207.14948	8.9
214.12285	4.8
219.10123	8.6
222.12776	8.2
231.10146	4.5
236.12744	2.3
246.11337	1.1
247.54837	0.6
248.12827	5.1
250.12286	1.1
307.14603	1.3
349.19113	2.6
350.17651	1.4
367.20190	2.5
392.19629	0.9
474.52209	0.7
570.26129	5.1
601.33752	4.3
626.38812	0.7
629.33350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69679	1.0
58.06610	23.0
59.07395	15.4
59.59227	0.7
60.08172	34.7
60.25965	0.7
62.78981	0.8
69.07079	0.9
70.06601	1.1
72.08154	1.1
82.10159	0.8
84.08115	0.9
84.54233	0.9
86.09714	19.1
91.05499	4.6
97.06537	1.2
103.05503	3.7
105.07053	2.1
114.10301	2.1
115.08680	1.3
118.38446	0.9
119.07307	6.8
120.08144	1.9
122.70188	1.0
129.18158	1.0
131.04938	21.4
136.07565	10.0
145.05164	6.6
146.06068	2.2
148.07567	1.2
148.11266	1.4
162.05537	1.4
165.05536	1.0
167.07152	1.0
188.14461	1.2
195.59006	1.0
197.09738	1.2
224.10785	3.9
229.13441	1.9
236.10846	4.2
247.14386	2.0
248.10866	1.9
249.11513	2.9
265.08804	1.8
265.78488	1.0
270.11227	9.9
275.13916	13.5
309.19339	1.4
323.12970	1.2
401.18665	1.1
499.18134	1.5
570.25848	1.6
601.34222	1.4
629.33691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06395	0.6
58.06611	8.8
59.07382	2.0
59.57965	0.6
60.08175	21.7
79.63615	0.7
84.08118	1.2
89.34991	0.8
91.05482	2.0
103.05480	4.1
105.07051	6.3
106.06660	1.0
110.06007	0.9
120.08110	58.2
130.06528	4.1
131.04944	21.5
132.08067	1.4
136.07567	1.5
148.07571	10.1
148.11209	4.2
155.19707	0.7
165.05458	1.1
173.09708	1.2
175.08691	1.5
177.09148	3.8
188.07001	1.3
190.12300	10.6
200.10742	4.2
202.12259	7.9
207.14951	9.3
214.12286	1.8
219.10172	8.7
222.12860	7.1
231.10280	3.4
236.12816	1.1
248.12891	5.8
290.31470	0.9
349.19324	0.9
533.59454	0.8
570.26117	4.8
601.33777	1.4
629.33374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24895	0.2
58.06611	19.7
59.07099	0.3
59.07393	14.5
60.08173	30.3
61.76501	0.2
69.07103	0.6
70.57048	0.2
77.03925	0.2
83.04977	0.2
86.09711	14.5
91.05480	3.1
92.18491	0.2
95.05019	0.2
97.06517	0.2
100.11232	0.3
103.05466	2.2
104.06247	0.3
105.07036	1.7
106.06552	0.4
107.04975	0.4
112.07619	0.4
115.05475	0.3
115.99551	0.2
116.04964	0.3
116.77605	0.2
118.06555	1.7
119.04924	0.3
119.07321	5.1
120.08084	1.5
121.06528	0.2
123.04432	0.2
130.06558	1.4
131.04933	19.1
132.08121	0.3
134.06102	0.3
136.07585	7.8
141.10214	0.8
145.05241	5.4
145.06328	0.4
146.06013	3.7
147.04468	0.3
148.07545	1.5
148.11238	1.3
157.09717	0.4
158.06013	1.0
160.07568	0.3
162.05518	2.4
165.05460	1.2
169.10074	0.8
170.05998	0.3
172.03940	1.0
172.07564	0.3
174.12782	0.4
175.13770	0.2
181.06454	0.7
181.10158	1.1
182.08128	0.5
188.14374	1.7
190.04964	0.2
190.08792	0.2
193.10245	0.3
195.08102	0.3
196.08946	0.2
197.01096	0.2
197.09668	1.3
204.13838	0.4
205.10130	0.4
207.08067	1.1
207.14925	0.9
208.11194	0.4
209.09691	0.9
211.07553	0.3
216.13887	0.4
219.08232	0.2
220.11276	1.4
221.09598	1.4
222.12810	1.3
223.07590	1.0
224.10684	3.1
225.09149	0.2
228.10188	0.4
229.13416	1.3
231.14906	0.4
232.11256	0.3
235.07654	0.3
236.10686	4.6
238.12349	0.3
241.13055	0.2
246.09131	0.3
247.07544	0.3
247.14449	2.9
248.10638	2.7
249.11491	3.2
250.12332	1.1
253.08473	0.3
253.13412	0.4
257.12881	0.4
262.08743	0.2
264.10162	0.4
265.08496	1.8
270.11240	7.6
274.36401	0.2
275.10925	0.4
275.13913	11.3
276.10281	1.5
279.11316	0.2
282.11221	1.9
292.09613	0.2
293.12646	0.3
293.17697	0.3
308.19107	0.2
309.19699	1.2
361.19104	0.3
377.18716	0.4
383.18729	0.4
392.19751	1.0
401.18454	0.4
457.17896	0.3
570.26184	3.5
601.34070	1.6
629.33362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	20.3
59.07140	0.8
59.07394	14.8
60.07872	1.2
60.08174	33.7
62.59266	0.6
67.07762	0.5
69.07065	3.0
78.22792	0.5
78.49632	0.5
86.09713	19.8
91.05484	3.3
97.06567	0.7
103.05473	2.4
105.07022	0.8
112.07635	0.7
118.06591	0.7
119.07330	6.9
120.08123	0.8
131.04930	17.0
136.07590	10.8
141.10193	0.6
145.05255	5.6
145.07553	0.6
146.06035	2.9
148.07640	1.1
148.11234	2.4
158.06013	0.7
162.05501	2.1
165.05493	1.0
169.10089	1.3
181.06488	0.6
181.10162	1.1
182.08205	0.8
188.14400	1.3
197.09558	0.7
197.84253	0.6
207.08087	0.8
207.15001	0.7
220.11421	1.0
223.07498	0.9
224.10780	2.7
229.13414	1.1
236.10588	3.9
247.14337	4.9
248.10770	3.7
249.11432	2.0
250.12326	1.1
265.08640	1.0
270.11273	6.6
275.13895	12.2
276.10321	1.0
278.71872	0.6
280.95010	0.6
282.11319	1.0
309.19592	1.2
334.80066	0.6
392.19751	0.9
435.23132	0.7
439.58051	0.6
570.25848	4.0
601.33405	2.2
629.33386	100.0
643.76886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24242	0.4
51.66338	0.5
54.50195	0.5
62.67252	0.5
117.79048	0.5
119.08575	2.2
129.06993	1.0
131.04948	5.3
132.05756	0.8
137.05978	49.7
144.08086	75.9
145.08839	4.7
147.08060	2.7
156.88678	0.5
158.01039	0.6
158.09688	2.5
161.05939	0.6
163.07516	8.1
169.06502	0.9
170.09636	77.7
171.10408	15.5
173.10742	0.8
175.07535	45.2
181.04901	0.6
186.06749	2.6
187.12320	3.3
188.13081	40.8
201.09145	1.1
224.10748	0.9
243.18440	0.6
244.75369	0.5
269.16440	2.0
270.14746	0.8
287.17520	32.9
629.32214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
74.47417	3.2
131.04985	3.8
137.05980	49.3
144.08113	33.0
149.05989	3.8
163.07573	15.3
167.07051	8.8
170.09634	100.0
171.10463	36.5
175.07545	81.8
181.04996	5.6
186.09161	4.4
201.13985	4.5
202.14709	15.7
209.08136	7.2
256.13348	16.8
257.50552	3.7
287.17593	8.6
325.14676	3.7
345.83511	4.5
569.38428	78.4
629.32434	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	629.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92491	0.8
67.35052	0.8
69.04101	1.1
72.49699	0.8
90.39341	1.1
92.18500	0.9
111.02412	0.8
117.90814	1.0
144.06984	1.2
144.08090	27.4
161.70360	1.0
170.09650	100.0
171.10439	14.7
180.73177	1.1
181.04787	1.3
201.13882	3.7
202.14662	7.5
309.46680	1.0
424.15140	1.0
430.90430	0.9
548.10791	1.0
596.53918	1.0
629.28552	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57030	0.5
56.42944	0.5
57.43660	0.5
58.00030	0.5
66.45871	0.5
70.06638	0.7
89.47484	0.5
110.06011	2.5
113.81114	0.5
122.06058	1.1
125.09623	0.7
128.76826	0.5
132.98914	0.5
136.07549	0.9
137.05980	0.7
138.09128	0.8
140.07031	1.0
164.07056	1.0
167.07088	1.0
169.65573	0.6
182.08208	1.3
202.08429	0.7
217.09789	1.0
235.10738	1.2
243.11304	3.3
261.08698	20.3
261.12466	1.2
287.10275	18.3
364.12943	0.9
364.20120	2.4
365.18610	0.8
382.21286	3.6
394.21271	6.7
398.17023	1.1
408.19177	46.3
412.22186	6.0
416.18182	7.3
424.18655	1.0
438.20224	81.9
442.19785	6.7
497.27841	0.9
545.27869	1.0
563.28577	4.7
575.28662	1.3
593.29736	100.0
611.30640	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	629.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55706	0.5
58.06600	0.9
63.48717	0.5
65.30085	0.4
70.06241	0.5
70.06602	12.1
72.08159	9.7
84.08152	4.2
98.09700	2.7
100.86002	0.5
110.09722	3.9
112.11258	5.9
129.13905	2.5
135.04457	1.0
139.97966	0.5
145.02855	4.4
146.16422	0.7
155.11784	3.7
162.05466	1.3
163.03900	75.7
172.14531	0.7
192.06609	2.0
195.89943	0.5
216.06638	0.5
219.11264	0.9
220.09682	100.0
222.11259	1.1
234.07573	0.8
237.12505	0.5
244.06071	0.9
246.07692	0.9
248.09120	0.8
262.07141	8.1
264.08630	0.9
274.06741	0.7
276.08759	0.7
288.08722	0.8
304.08243	2.8
345.14423	0.8
361.14240	0.6
375.15680	3.2
392.18069	0.7
402.20203	5.1
420.23621	0.9
432.21503	3.4
444.66263	0.6
449.24100	2.1
611.27228	19.7
629.28210	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07089	37.6
63.39806	3.4
71.08642	27.7
73.06564	5.5
85.10185	27.7
87.04492	7.4
89.06042	100.0
94.78168	4.4
115.77041	4.2
133.08626	25.3
135.52948	3.7
156.01469	3.9
164.06561	3.7
177.11250	8.3
221.13712	4.9
259.33780	4.2
271.96274	4.0
285.27798	5.7
367.60364	4.4
415.25571	4.9
567.44989	4.2
611.47412	46.8
628.40503	3.9
628.50061	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	24.5
61.02942	2.5
66.78241	2.4
67.05497	3.6
69.03436	3.0
69.07063	3.5
77.54003	2.0
79.05476	2.7
81.03428	4.9
81.07047	4.0
82.67457	1.9
85.02894	9.8
85.98024	2.1
87.00843	3.0
89.83250	2.1
89.87733	2.0
94.13059	2.2
95.08611	9.4
97.02890	3.8
109.02876	4.0
109.10153	3.2
117.05499	100.0
123.11701	3.1
127.03921	13.8
149.18181	2.1
150.88661	2.0
151.05954	2.5
159.02827	2.9
167.07344	2.5
229.61124	2.1
297.87183	2.1
315.48682	2.3
327.25366	9.2
345.26340	40.5
365.10736	2.8
533.09546	2.5
545.45099	2.4
575.30908	3.3
593.31348	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	628.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.6
57.03447	15.9
61.02922	6.4
64.33042	0.8
67.05507	3.6
69.03059	1.0
69.03435	24.5
69.07068	3.5
71.01367	1.4
71.05011	0.9
71.27469	0.9
73.02922	38.8
79.05509	7.8
81.03438	3.7
81.07067	100.0
85.02914	61.7
87.04484	1.6
91.03979	1.5
92.17773	1.3
95.08619	15.5
97.02899	55.6
99.04472	1.9
99.16289	0.9
101.02450	1.0
103.03917	1.2
107.08660	1.0
109.02871	5.6
115.03931	34.7
127.03928	19.7
130.05722	1.0
133.04973	4.8
137.13266	19.7
137.29884	1.0
145.04962	25.2
149.05998	1.8
151.03929	1.1
163.03897	1.3
163.06023	8.5
167.07069	1.0
174.92247	0.9
177.05449	2.2
191.06966	2.0
193.04997	1.7
209.08093	3.8
223.06030	4.6
241.07025	4.5
251.09100	1.7
259.08005	11.6
266.02396	1.1
277.08688	1.3
278.08707	1.3
295.10254	46.3
325.11227	11.9
357.31622	1.0
391.69342	1.1
446.12244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26192	0.9
61.01128	2.6
73.04352	2.4
73.04761	63.6
75.02699	2.2
75.21343	1.1
79.02100	1.0
91.05802	83.9
109.81036	1.1
110.86128	1.1
114.07343	6.7
149.04477	8.0
166.56122	1.0
167.05545	13.4
167.50539	1.0
223.06387	36.8
225.04308	58.3
227.02264	6.2
266.99881	2.4
268.97858	8.2
281.05185	5.2
283.03085	6.8
285.00970	79.2
297.08408	9.9
299.06174	57.3
303.02087	2.5
324.98682	1.6
339.03629	1.6
341.01675	1.5
342.99570	1.9
355.07001	47.3
355.11368	1.8
359.02917	13.3
371.10114	100.0
373.08005	1.9
429.08960	13.6
445.12018	19.2
491.43164	1.0
557.45477	1.2
628.38397	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
65.27492	0.8
65.49935	0.7
70.67078	0.7
75.04475	0.8
77.03927	0.9
79.05547	0.9
86.54583	0.8
98.56046	0.9
103.05440	0.9
105.07039	20.6
106.04147	1.0
107.04960	1.9
115.05462	1.9
121.06497	1.6
125.05970	1.0
127.96032	0.8
133.06499	41.8
135.04457	1.1
135.08081	1.1
137.06020	1.1
143.06030	1.9
149.06018	7.6
150.06796	6.1
153.09125	1.0
158.64989	1.0
158.93741	0.8
161.05978	100.0
163.03903	4.1
165.09088	8.5
167.06970	3.1
177.05467	3.4
181.08606	3.2
191.07030	1.4
193.08614	88.0
195.06485	1.2
209.08110	19.0
223.04253	4.9
297.09717	58.7
477.17542	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	627.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80112	4.7
56.79375	5.2
60.08168	9.5
84.32568	5.2
86.09705	27.5
103.05499	8.3
103.19037	5.1
105.03444	6.3
105.07037	10.2
117.04877	5.4
120.08109	36.3
131.04941	99.9
132.08125	9.4
167.18939	5.4
188.14357	38.5
210.54355	7.4
222.12828	11.1
248.11375	5.5
255.11026	6.9
258.11279	8.6
292.09763	29.5
297.01334	6.7
370.75073	6.2
536.25769	6.2
568.24390	85.5
627.22919	24.0
627.31769	100.0
627.41400	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	627.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78884	0.5
53.58270	0.4
58.06589	1.8
59.66422	0.4
70.06594	0.7
82.93399	0.4
85.02898	0.6
87.33855	0.4
97.02888	0.5
121.40745	0.5
160.07585	36.9
170.09599	1.1
174.09169	1.7
186.09151	100.0
187.09927	34.0
202.11029	1.9
217.13409	5.5
218.14146	23.7
219.14931	0.5
295.73471	0.5
329.02994	0.6
390.25064	0.5
428.01733	0.5
627.31287	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3181
Annotation	Bonaspectin A
Peak:m/z	Relative Intensity
50.27185	0.5
58.06606	6.8
59.07377	1.2
60.07866	1.0
60.08172	26.0
74.38927	0.6
80.05008	1.0
81.05799	2.3
82.06582	14.7
83.38620	0.5
91.05466	5.6
92.17876	0.6
94.06586	1.0
95.04987	0.5
99.26989	0.5
103.05496	5.2
104.06248	2.9
105.07006	0.8
110.06055	1.3
120.08107	32.9
130.06512	2.6
131.04933	15.4
132.05750	0.7
135.06828	1.2
136.07567	2.8
146.06000	4.9
148.07568	2.3
148.11273	2.2
151.03926	0.8
160.07547	1.0
171.08081	0.8
174.09099	0.6
175.07602	0.9
183.08070	2.7
184.11255	3.3
185.09586	0.5
185.12029	6.4
186.09132	3.8
187.07565	0.7
187.09915	0.6
188.10706	1.2
190.12280	0.7
198.09264	0.8
200.10684	5.4
210.09172	0.6
211.07558	1.3
212.10698	3.0
213.11517	2.2
214.12193	1.0
215.11723	0.6
217.08742	0.8
217.13329	0.9
222.12720	0.9
226.08760	0.7
227.11850	2.9
228.10245	3.5
229.08473	0.8
232.35150	0.5
243.11337	1.1
244.09669	1.0
246.11302	2.8
255.11322	2.2
261.12332	0.7
263.13998	0.8
299.49756	0.5
316.34763	0.5
347.17804	2.3
365.18439	0.7
390.18469	0.7
393.18359	2.0
568.24261	3.8
599.32446	1.1
627.31769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21528	0.7
62.14366	0.6
70.06594	1.3
71.05589	0.8
73.45586	0.7
81.07040	1.0
84.08180	0.8
90.25108	0.7
144.04478	0.8
151.11194	5.4
163.03954	1.0
196.13405	1.3
205.52298	0.9
206.34715	0.8
220.09810	1.1
233.09213	0.9
277.08185	100.0
378.18295	1.1
380.19525	1.5
392.19666	1.0
406.17578	14.2
414.16583	14.9
424.18576	1.5
432.17557	3.1
436.18948	5.3
454.19763	11.8
591.28174	25.7
609.29108	15.9
627.30365	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	627.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70403	0.9
55.88289	0.8
56.88427	0.8
58.06647	1.1
60.87054	1.2
69.03428	6.4
70.06587	2.1
74.06097	4.1
81.03436	2.3
85.02917	12.4
92.17896	1.4
97.02906	2.2
109.02892	1.4
110.07207	1.5
116.64567	1.1
127.03950	2.2
144.08095	11.4
145.08864	6.9
149.10789	1.9
157.08919	8.3
158.09631	6.0
170.09634	1.5
175.09987	1.1
181.08913	4.9
182.09610	9.0
183.10422	6.4
184.11224	4.6
186.11494	4.2
194.09644	1.5
195.10446	8.7
196.11205	22.3
197.08485	1.5
198.12813	7.3
199.09863	1.8
208.11195	2.5
210.12778	45.4
211.09985	4.2
212.08960	1.0
212.10680	10.9
212.14290	1.2
224.10689	5.7
226.12251	25.3
228.13794	1.6
238.12257	53.1
238.14653	2.1
242.11778	2.0
254.11826	2.3
256.05948	1.3
256.13300	18.6
263.32819	1.1
298.14413	6.9
315.76108	1.2
358.16486	12.4
388.17621	1.6
400.17514	16.1
406.18707	1.3
416.16507	1.6
418.18613	21.5
447.21228	1.4
465.22327	8.6
566.22760	4.6
580.23920	9.6
610.02966	1.1
627.27539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49806	1.2
65.03944	1.8
65.10957	1.2
75.04487	2.6
85.02901	2.9
89.06035	1.7
91.05487	7.4
92.17830	3.5
93.03406	15.2
93.07049	7.1
95.04966	2.3
97.06567	1.9
103.05470	10.1
105.07032	2.3
106.04183	21.5
119.04890	1.9
121.06501	32.7
123.04420	2.3
125.05997	8.2
131.04919	11.4
133.06474	7.4
137.05951	7.7
139.07541	2.3
148.05168	5.1
149.05984	62.5
151.07564	7.1
153.05489	2.4
153.09140	14.6
155.06998	1.8
161.06000	7.8
162.48250	1.5
163.07516	11.1
166.06277	1.6
167.05617	2.4
167.07033	72.6
170.09605	2.7
173.06026	2.8
175.83180	1.3
177.05457	47.1
180.07867	1.6
181.04962	30.2
181.08571	23.3
191.07031	55.4
191.08780	2.1
192.07906	1.4
193.05046	1.7
193.08618	7.0
195.06555	2.4
207.06577	1.8
208.07336	2.8
209.08092	100.0
225.07567	13.6
235.21460	1.7
403.54782	1.3
435.16418	3.2
576.90546	1.4
602.01434	1.5
631.81396	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19921	0.3
53.36897	0.3
55.05520	1.5
56.05025	0.5
58.92448	0.3
61.02935	0.3
63.92463	0.3
69.03429	0.5
70.06598	43.7
72.08163	10.7
82.05309	0.5
83.06094	2.6
84.08155	0.7
85.02911	1.8
86.09711	0.6
93.04536	1.5
93.07050	0.6
95.04987	0.4
95.06120	0.5
97.02907	0.8
98.06055	2.3
110.07172	100.0
114.10384	0.4
115.08714	1.5
121.04000	0.5
126.05492	1.5
127.03963	1.5
129.10245	0.5
136.07578	0.8
137.07080	0.9
138.06653	4.4
138.12808	0.8
156.07663	6.6
157.08861	0.6
163.03932	1.7
164.11856	3.6
165.13840	0.8
166.06099	1.5
169.13373	2.6
180.12613	1.4
181.13371	0.5
184.11082	0.4
185.08134	2.3
191.11868	1.5
191.70416	0.4
197.08263	0.4
197.12827	0.6
202.12273	0.8
209.12819	5.2
212.10735	1.5
213.11185	0.4
220.09848	0.5
221.08168	0.5
221.14014	1.7
228.11414	1.8
230.11827	2.5
231.12210	2.2
233.59846	0.4
248.12917	1.3
249.13521	0.8
256.11008	0.6
256.13235	3.4
257.13705	3.0
262.19299	0.5
264.20828	1.9
265.15759	0.4
273.13443	4.4
290.01959	0.4
290.18765	1.6
301.12988	7.2
308.19644	4.6
319.13995	12.1
358.40765	0.4
367.17810	0.5
371.37335	0.4
385.18585	0.8
402.21552	0.7
415.33105	0.4
430.20975	1.7
433.56830	0.4
450.23318	2.6
458.20264	1.4
527.26166	0.7
608.29370	0.4
626.33087	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	626.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	0.8
84.05630	0.8
86.85213	0.4
87.54205	0.4
93.07065	0.5
93.18726	0.4
160.07581	35.1
161.08342	0.8
163.04044	0.4
170.09688	0.9
174.09186	1.0
186.09155	100.0
187.09933	52.2
203.11771	0.5
217.13391	4.7
218.14154	66.2
226.15573	2.4
284.29324	0.4
380.19455	1.0
397.94009	0.4
453.24039	0.4
464.25671	0.7
626.30756	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44639	0.6
52.49991	0.6
55.04576	0.6
61.48055	0.6
74.80142	0.7
85.02904	3.2
86.09734	0.6
91.05483	1.1
95.04976	0.9
97.02902	1.0
119.04923	1.1
129.07024	1.1
131.04948	4.2
133.70049	0.9
137.05989	39.8
139.22246	0.7
144.08104	1.8
145.08502	0.8
148.28293	0.8
149.05974	1.1
151.03883	1.0
151.07547	23.2
157.06471	7.4
161.05956	6.2
161.09596	1.1
163.07535	16.3
167.06963	0.8
170.09679	7.8
171.10081	5.1
172.10748	1.0
172.44585	0.9
174.06844	1.3
175.07524	3.6
177.09106	24.6
189.09113	31.0
190.10033	0.7
193.06682	0.8
195.10106	0.7
202.14459	0.7
221.06007	4.2
221.09619	3.8
221.11731	7.7
225.09094	2.8
241.87108	0.9
249.09196	4.1
253.08606	8.6
253.12233	20.4
267.10074	4.0
272.10464	1.2
281.11652	6.3
284.10446	1.5
285.11197	22.4
287.12811	0.9
293.10309	4.2
295.09769	0.7
313.14258	9.0
331.15460	1.2
339.12451	0.8
343.15381	0.9
345.16855	0.8
357.13461	0.7
363.12030	1.0
379.16348	0.7
381.13412	1.0
399.14914	0.8
417.15463	100.0
429.15454	1.0
492.41183	0.8
588.82275	0.7
608.28046	1.0
626.28302	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	626.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
54.80225	0.8
55.01866	1.8
57.02701	0.9
57.03445	1.7
61.02909	0.9
69.03433	15.4
70.06599	2.1
71.01350	1.7
71.04968	0.8
73.02925	1.9
79.05510	1.8
81.03424	9.4
83.04984	1.0
84.08071	0.9
85.02910	100.0
87.00837	15.8
91.05476	5.9
92.46706	0.9
93.07049	92.7
95.01363	0.9
95.04964	3.5
97.02895	22.3
99.04452	6.0
103.03963	5.4
105.01876	32.7
105.07030	1.1
109.02876	18.9
113.02400	1.4
115.15070	1.1
119.05863	0.8
121.10145	47.7
123.04379	1.2
127.03918	40.3
129.01840	5.6
137.66411	0.9
141.01845	20.0
145.04970	11.6
146.25038	0.9
147.02861	2.2
149.09625	24.0
151.03922	1.8
153.01724	1.0
159.02899	9.1
167.10663	17.4
169.04956	3.3
170.09656	1.6
171.02809	1.3
179.03453	1.0
181.04959	1.5
187.05942	1.0
189.04021	4.7
213.03944	3.4
231.04988	20.2
241.68240	0.9
243.05049	3.4
249.06029	16.6
261.06094	6.3
267.05051	1.0
273.06116	4.7
285.05972	3.1
302.12482	0.9
303.07132	7.1
321.08121	1.3
327.00778	1.0
371.05954	1.5
389.07089	10.3
397.14816	1.1
407.08228	18.7
425.09366	7.1
460.13092	6.8
597.29016	1.0
626.22845	2.1
626.48938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	0.4
69.03423	0.5
70.06588	1.0
72.08130	0.5
83.05175	0.5
85.02883	0.8
91.05442	0.5
103.05457	1.0
107.04952	0.5
115.05432	0.4
119.08578	3.9
122.03666	0.5
123.16490	0.4
129.06998	1.6
131.04919	8.0
132.05675	0.7
137.05983	50.8
143.40570	0.4
144.08063	2.0
145.08405	0.7
147.08063	5.8
160.05196	1.4
161.05978	0.8
163.07538	27.5
167.07103	0.7
169.06476	0.6
170.09630	9.5
171.10046	7.1
172.10820	0.8
175.07541	100.0
186.06767	2.3
187.07552	0.6
189.09201	0.5
191.07030	0.9
201.09109	2.4
202.14609	1.7
203.14986	1.9
223.04253	2.6
261.12082	0.4
284.07922	0.9
302.19336	0.4
312.09033	0.8
322.18115	0.4
325.14365	17.9
343.11234	0.8
343.15390	19.6
439.94363	0.5
464.17523	5.9
501.84372	0.5
626.30176	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	625.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47588	0.8
100.54761	0.8
114.56150	1.0
118.45139	0.9
144.08116	22.8
170.09654	100.0
171.10422	36.5
197.36610	0.9
201.13843	1.9
202.14676	58.9
301.19147	36.5
301.22443	1.4
385.53973	0.9
431.49438	1.0
455.30478	0.8
625.29761	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14634	0.6
122.09690	0.8
130.60669	0.9
131.04980	1.3
137.06010	1.6
144.08105	29.3
146.49390	0.7
151.03911	20.5
151.05104	0.9
158.09663	1.6
167.07111	1.6
170.09660	100.0
170.90524	0.7
171.10448	22.4
181.04968	14.4
187.12183	1.4
201.13930	4.2
202.14677	12.2
225.07675	0.8
233.12862	3.8
288.51050	0.9
293.17422	0.9
375.10831	3.3
572.85272	0.8
625.23163	2.2
625.31287	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	0.8
72.08192	0.2
73.54063	0.2
77.82058	0.2
82.11348	0.2
144.08095	26.9
145.08859	0.8
158.09663	1.8
159.10468	0.2
170.09653	100.0
171.10432	23.5
187.12321	0.4
201.13866	4.8
202.14664	14.1
215.02226	0.2
625.29706	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62000	0.4
52.71082	0.4
58.06591	0.6
62.55560	0.4
92.18344	0.5
134.47005	0.4
144.08090	28.4
158.09630	1.1
158.80844	0.4
166.02383	0.4
170.09648	100.0
171.10417	23.8
182.01530	0.4
184.34637	0.5
193.42950	0.5
199.86951	0.4
201.13852	4.2
202.14642	14.5
234.48166	0.5
625.29681	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	625.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53498	0.4
56.45944	0.4
70.06570	2.4
70.16461	0.4
70.73149	0.4
72.08152	1.8
83.04674	0.5
84.08147	0.8
100.11235	0.9
109.48495	0.4
114.10271	1.0
132.84169	0.5
144.08098	25.0
145.08955	1.4
158.09642	0.6
163.03914	1.8
170.09651	100.0
171.10432	40.5
187.12241	0.6
201.13921	3.3
202.14661	68.0
222.11180	0.5
290.98257	0.4
301.19104	36.7
388.40900	0.5
497.71097	0.4
513.83655	0.5
625.29773	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2885
Annotation	Limacusine 2'-beta-N-oxide
Peak:m/z	Relative Intensity
59.06753	0.6
62.77284	0.6
62.87294	0.6
70.06591	5.6
72.08150	6.3
72.71127	0.7
81.07072	0.9
83.72456	0.6
84.08138	1.4
85.02895	1.0
93.07028	0.9
107.04956	0.8
110.06056	2.6
110.09705	0.7
114.10365	0.7
117.73610	0.7
122.06033	1.2
123.04408	6.9
124.07618	6.2
136.07590	4.5
137.06049	1.3
138.09148	11.1
140.07092	1.7
144.08128	1.0
145.02716	0.8
152.10612	0.8
154.05040	1.6
154.08620	9.1
163.03917	11.8
164.04298	2.9
164.07063	9.0
164.10754	1.2
165.05536	1.1
167.07056	2.8
170.09676	6.5
181.09778	4.8
182.08113	33.0
192.10210	1.1
199.10774	3.3
218.08086	2.9
220.09726	2.9
221.08109	0.8
222.11266	4.1
235.10718	1.4
243.11287	1.4
244.09702	2.9
246.07593	1.0
257.12909	0.8
258.11261	7.8
260.12790	0.8
261.08743	4.1
261.12357	3.4
263.10272	1.6
269.12729	1.1
275.13892	1.4
281.81503	0.9
286.15347	1.3
287.10193	5.1
289.11758	0.9
301.11819	6.7
303.09845	0.7
305.11380	3.0
312.08597	1.4
313.07184	0.7
314.14932	6.9
326.15308	4.7
327.16245	10.9
331.12976	0.9
344.11163	1.4
347.17291	0.8
353.18625	3.6
363.16959	7.1
365.18661	1.2
366.17368	1.6
367.16708	0.8
381.18103	25.1
391.16418	3.8
408.19336	3.0
409.17514	21.9
426.20178	5.7
430.15598	0.8
452.18188	8.4
471.23682	0.8
589.26801	0.9
596.80548	0.9
607.27478	13.1
625.28778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19405	1.2
78.79012	1.2
100.61165	1.0
110.06059	7.7
121.98378	1.0
122.06026	2.8
124.07629	3.6
136.07593	13.8
137.06042	1.4
138.09161	14.3
140.07071	5.7
144.08084	1.9
154.08611	10.8
164.07030	16.7
170.09628	7.8
174.09206	2.5
177.06595	2.0
181.09756	7.2
182.08121	39.7
188.07031	1.6
199.10779	8.2
203.08188	5.3
204.06644	2.1
209.09247	7.4
217.09811	7.0
229.06091	2.1
230.08153	6.7
235.10846	5.4
243.11299	2.0
245.09157	17.7
246.07700	4.8
247.10773	1.8
248.09172	1.9
257.12820	1.9
259.10812	1.5
261.08685	10.7
261.12381	4.5
263.10266	29.7
265.11716	1.4
271.07205	5.2
274.13293	1.3
275.13937	7.7
276.12680	1.2
277.11795	1.6
285.08594	1.2
287.10297	17.6
289.08478	1.3
289.11807	2.4
299.13965	4.6
301.11795	15.6
305.11383	22.8
307.12860	9.6
314.15027	1.2
315.09930	1.4
317.15280	1.5
338.15164	1.3
339.17252	1.4
364.15768	1.9
366.18036	7.8
378.18445	1.7
381.17996	2.0
384.19562	2.2
385.17520	1.7
398.20978	1.4
399.14548	2.5
406.17691	4.4
408.19174	2.8
409.17786	1.9
420.19235	2.5
424.18848	5.2
426.20523	8.5
434.17242	1.8
438.20273	10.1
444.21414	9.7
452.17886	9.8
456.21387	2.8
470.19360	4.7
488.20038	9.9
589.27039	5.7
595.23730	2.5
607.27600	74.4
615.26434	1.2
624.21832	1.2
625.28754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80759	0.6
70.06592	3.3
70.62628	0.7
72.08150	1.3
81.07037	0.8
84.08151	0.7
85.02931	0.7
93.07056	1.3
95.08629	0.8
100.87074	0.7
107.02615	0.7
110.06042	1.1
118.23555	0.7
121.10075	0.8
123.73611	0.7
136.03990	1.1
144.08061	0.9
150.05478	1.7
154.05009	3.5
163.03914	5.6
163.14885	0.7
170.09639	6.0
171.10463	1.3
178.05003	3.8
178.12181	1.0
196.06042	1.3
202.14771	1.0
217.09705	6.4
220.09692	4.3
227.11887	0.8
235.10820	5.9
241.13434	0.9
243.11261	13.0
249.73566	0.8
259.14438	0.8
261.08728	19.9
261.12045	7.0
271.10648	7.4
277.08313	0.8
285.12418	3.8
287.10257	19.9
297.06351	0.7
303.09833	1.3
364.20236	10.5
379.92349	0.9
380.19751	2.9
382.21252	7.5
383.19070	0.9
391.16385	3.5
406.17844	1.0
407.18436	1.6
408.19193	83.5
412.22748	0.9
420.18967	1.3
426.19852	2.8
430.16052	8.3
438.20483	6.9
456.17297	5.3
471.24023	0.9
559.25256	1.0
577.26672	9.4
581.29858	0.9
589.26477	1.5
607.27643	100.0
625.28430	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	0.7
66.92652	0.3
69.32103	0.4
70.06580	1.8
72.08155	0.7
77.50398	0.4
83.60989	0.3
95.08588	0.4
105.07697	0.4
124.61710	0.4
144.08090	31.1
145.08954	1.2
158.09642	1.4
159.10403	0.5
163.03862	0.5
170.09647	100.0
171.10428	20.9
201.13907	4.6
202.14648	11.0
243.11354	0.5
261.08685	1.4
272.15585	0.4
287.10269	1.8
326.96014	0.4
408.19202	2.3
577.26501	0.6
607.27710	3.1
625.27582	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77065	9.4
57.55410	8.2
57.92106	7.0
62.75589	8.5
70.06641	9.6
121.06487	13.9
130.22734	8.3
136.42751	10.8
138.98222	10.4
147.04517	8.8
151.03912	46.3
186.73538	8.3
220.23784	8.8
265.08588	50.6
266.09454	16.3
267.10025	8.6
279.10165	9.3
288.39426	10.3
291.10141	19.0
293.08069	20.5
307.09720	46.1
309.11288	19.6
319.09601	20.0
325.10614	21.5
326.11157	10.3
337.10770	67.9
341.13712	10.0
351.08560	13.0
351.12265	70.9
369.13345	100.0
417.09589	10.8
420.17603	9.6
462.18912	15.5
537.96082	9.1
555.01990	11.6
593.79150	10.3
647.24365	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	625.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26196	0.7
60.16525	0.7
62.90741	0.7
69.03447	1.4
72.08161	1.1
76.18040	0.7
85.02921	10.9
94.07525	0.8
95.01338	3.3
97.02884	5.5
99.04407	0.9
113.02353	1.2
127.03979	1.1
131.07312	10.6
132.08092	1.2
141.01842	13.2
144.08105	3.3
145.05055	1.0
145.08875	6.9
157.08861	9.1
170.09686	3.5
183.10483	4.0
184.11337	5.5
197.08377	5.5
198.12839	0.9
210.12724	11.8
211.13432	1.0
212.10736	36.8
212.14333	3.2
212.71695	0.8
226.12234	4.0
230.11768	75.2
238.12273	1.7
244.13351	10.1
256.13330	100.0
262.08002	0.8
264.50409	0.8
287.17551	28.2
297.07504	1.0
449.22852	44.5
453.03641	0.8
625.26099	26.1
636.15820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35641	0.7
50.79232	0.7
70.37025	0.7
79.05487	1.2
80.29687	0.9
92.18411	0.9
103.05482	1.2
107.04960	14.0
120.30621	1.0
121.06498	1.7
123.08066	1.3
131.04921	8.8
135.08055	1.7
137.05923	1.4
149.05994	3.1
151.07532	11.3
153.05447	1.0
159.04454	0.8
161.04782	0.9
161.06009	8.2
163.07512	11.9
164.07144	1.0
165.09125	3.4
167.07025	28.8
175.07581	8.5
179.07022	100.0
182.08102	3.6
191.07013	23.3
193.08612	1.4
203.07007	6.2
205.08556	6.8
209.08084	41.2
221.08072	57.6
231.08086	0.9
233.08098	4.8
235.07574	1.7
245.70383	0.9
249.09239	1.1
259.07538	0.9
263.07040	1.9
264.11258	0.8
267.10117	7.3
276.37912	1.0
277.08527	5.4
279.10248	1.3
291.10025	4.4
293.08130	1.0
295.09692	14.9
305.08179	1.5
307.09686	3.2
309.11169	3.5
313.10629	1.0
314.11337	0.9
318.08801	1.5
319.09732	4.2
322.08432	1.6
323.09091	21.8
324.09839	5.8
325.11099	1.3
327.12234	11.6
331.09158	1.0
333.11224	1.7
336.09970	1.5
337.10699	10.3
339.12302	3.1
351.12091	10.6
355.11743	15.7
361.13190	11.2
363.12204	3.4
364.09509	3.5
365.10315	1.1
367.11804	1.6
369.13364	4.9
379.11673	13.1
381.13116	1.1
383.10965	1.5
385.12878	2.0
387.14392	54.3
393.13202	5.7
397.12793	4.9
399.14447	1.8
406.17764	1.2
411.14450	16.8
426.20178	1.4
435.13931	1.7
438.20377	0.9
452.18188	1.7
501.24731	0.9
516.07129	0.9
547.19885	3.0
557.17712	1.4
571.19440	11.2
589.20569	15.8
595.21814	5.1
607.21283	24.5
625.28986	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	624.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04709	0.2
59.82685	0.2
61.01159	3.0
68.13424	0.2
70.06588	2.2
72.08171	2.0
75.02689	1.0
78.48581	0.2
81.66669	0.2
84.04482	0.3
84.08154	0.4
85.02909	0.5
92.18389	0.3
97.02906	1.4
123.04382	0.2
136.06194	100.0
145.03131	1.3
163.04002	3.1
185.15353	0.2
192.21025	0.3
220.09709	1.9
298.09695	27.2
409.14972	0.4
499.85275	0.3
503.28934	0.3
612.93903	0.3
624.23651	2.1
645.52368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
53.66844	3.0
53.81130	3.0
55.01879	2.9
55.05513	4.7
67.05513	6.1
69.03420	3.9
69.07063	22.1
70.06592	26.2
71.57223	3.4
72.08164	5.8
74.66763	3.6
79.05503	15.0
81.03435	7.3
81.07082	27.9
83.08596	4.8
84.08142	6.9
85.02898	8.8
86.09694	5.0
88.02212	17.4
91.05492	6.1
93.07053	44.5
95.04955	4.3
95.08601	31.4
97.02907	4.1
97.06508	4.9
99.02701	5.2
100.02230	6.5
105.07032	19.5
107.08607	74.1
109.02855	7.1
109.06513	6.2
109.10162	33.2
115.02161	3.9
117.07006	4.6
119.08601	18.9
121.10143	40.1
123.04430	5.3
123.11703	5.8
125.09650	5.1
127.03938	5.2
128.05354	3.9
129.10219	4.3
131.08522	6.5
133.10120	22.1
135.11691	15.1
141.03819	3.5
145.10165	46.6
146.02695	6.5
147.11679	6.7
149.13278	48.3
151.40607	3.4
159.11697	47.4
163.03918	22.7
172.04364	3.9
173.13226	13.3
182.06793	3.8
186.05797	7.7
187.04202	4.5
200.07399	3.9
201.16399	58.4
219.17406	7.2
222.11205	6.0
227.54240	3.9
233.13428	4.7
251.14612	5.3
322.18393	16.8
339.93936	3.7
340.19394	66.2
358.20532	67.1
376.21487	27.6
425.01151	4.3
606.25500	15.7
624.27008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58261	1.0
92.17808	1.8
94.02886	1.0
170.06728	0.9
280.09915	2.1
331.15759	31.3
338.47693	1.1
349.16849	100.0
367.18161	2.1
369.98795	1.0
372.18710	3.6
623.36194	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43547	0.9
54.81379	1.0
66.65182	1.2
78.49763	1.1
86.60621	1.1
110.06061	1.2
120.65730	1.1
125.45528	1.1
163.03973	1.3
198.35045	1.2
292.14346	1.4
336.13553	6.1
345.73596	1.2
350.15103	1.9
362.18707	5.9
378.18268	1.6
379.18817	1.5
380.19760	7.7
392.19852	1.9
406.17526	37.0
408.19025	2.3
424.22287	2.4
436.18741	7.2
450.20309	42.3
465.22260	1.3
468.21402	1.8
491.22995	4.5
543.26135	2.2
561.26953	8.1
605.29779	12.4
623.30853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12577	0.7
57.59937	0.7
70.06570	1.1
72.08136	2.0
82.62990	0.9
98.79112	0.9
111.31673	0.9
111.70535	1.0
121.71504	0.8
123.04420	1.4
125.15701	0.9
163.03928	1.5
167.07002	1.7
170.09633	1.7
222.11243	5.5
261.08588	1.1
280.29477	0.9
403.25708	1.0
526.27039	1.0
623.20740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.272
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75137	1.2
70.06564	1.8
71.09518	1.1
72.08173	1.9
84.61285	1.2
109.10191	1.5
110.06023	7.4
122.05984	2.1
131.08861	1.2
133.10170	1.3
136.07568	10.6
140.07092	2.4
154.08664	1.8
163.03882	1.4
164.07089	7.9
176.10695	5.5
182.08171	2.9
194.11734	7.3
213.59680	1.1
247.07207	1.6
253.32693	1.8
275.06619	17.4
276.07455	6.0
277.08179	13.4
322.15244	1.6
348.17279	1.3
353.47864	1.3
362.18686	1.9
366.18259	2.1
376.16599	8.5
378.18219	6.7
380.19635	14.2
393.16782	1.9
394.17722	15.8
395.18365	9.2
396.19073	13.4
404.15918	2.3
406.17621	30.0
409.17386	1.3
420.15497	2.9
422.17133	9.3
424.18597	13.3
425.19568	2.1
426.20374	14.5
450.16626	31.6
452.18192	9.6
468.17410	11.6
580.46075	1.3
587.24146	1.9
605.26129	58.6
623.27161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20135	0.9
54.57912	0.8
56.05038	4.3
56.32784	0.8
70.06231	1.1
70.06596	19.3
72.08162	9.3
81.07064	1.2
84.08144	18.0
87.09237	0.9
99.06841	3.3
100.07635	11.4
101.10834	1.2
103.73747	0.8
112.07614	1.9
113.08439	1.2
114.09176	1.5
123.04394	7.1
129.10263	4.3
139.87308	0.9
143.11790	1.0
144.08089	1.1
153.05463	5.6
154.81985	0.9
163.03897	4.5
164.07109	1.2
165.05469	6.2
165.06776	1.0
170.09642	3.9
171.10165	1.5
184.06027	1.0
188.71387	0.9
195.06514	2.0
202.14659	3.9
208.09703	1.5
220.09749	7.1
221.10411	4.4
222.11247	60.4
236.09192	11.7
236.12820	5.7
238.10741	2.2
238.13126	1.1
238.74234	1.2
251.11494	1.8
251.13860	11.3
252.12254	10.3
253.08580	14.6
261.08701	1.3
262.09088	1.0
265.15475	5.7
281.14917	5.7
295.16644	5.3
332.13525	1.0
352.15109	1.0
444.97083	1.0
453.18582	1.0
488.23941	17.5
503.26215	100.0
586.38324	8.6
592.27576	2.0
604.29095	4.3
622.31360	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	622.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	4.4
57.03434	0.8
65.78074	0.6
70.06597	100.0
72.08164	3.3
73.32054	0.6
74.06090	29.7
84.04513	1.3
87.05614	0.8
91.05473	3.3
92.17821	0.8
98.02429	0.9
98.06094	0.9
102.05550	0.9
106.05008	1.1
115.08665	1.0
119.63692	0.7
120.08109	22.1
125.07111	0.8
127.08672	8.9
130.05045	1.0
130.06543	8.7
145.06088	3.9
153.10236	1.0
155.08165	18.1
163.07182	3.0
171.11325	4.8
172.07620	0.7
175.08669	8.2
177.05444	4.0
181.09723	1.4
186.09154	1.0
187.08688	3.1
189.10175	0.8
192.11511	0.7
194.09203	0.7
199.10735	1.5
200.06892	0.8
203.08112	5.9
217.09724	5.2
224.64513	0.6
232.09711	1.2
234.12378	10.1
234.98999	2.5
235.99339	0.8
242.11307	8.5
245.09192	25.6
249.12363	1.2
258.12411	1.3
259.10794	2.5
260.12427	76.7
260.98532	1.0
262.11868	18.1
265.15359	0.8
276.13400	1.5
284.10367	1.3
296.12497	1.1
304.12866	8.2
329.11462	1.2
346.14136	0.8
361.17212	10.4
363.01593	1.1
363.16589	16.8
364.01978	2.7
381.02478	1.4
382.02954	3.5
492.87961	0.7
577.77893	0.7
587.24115	1.1
589.34058	0.7
604.27271	8.1
622.28625	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	622.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95736	0.6
54.74236	0.5
70.06593	1.2
71.78693	0.6
72.08158	2.8
74.71371	0.6
80.46554	0.6
99.00824	8.1
99.04461	10.9
100.07619	1.3
109.02851	0.8
115.03949	0.8
143.03404	84.0
145.02850	4.8
145.04987	1.1
163.03902	10.5
177.05467	11.0
193.08533	1.3
206.05777	0.8
207.06540	61.9
217.96294	0.8
221.08093	98.7
269.08017	0.9
280.15341	1.1
293.00009	0.7
305.08728	15.1
445.79150	0.8
471.04129	0.7
604.28473	1.3
622.24884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.4
53.24789	0.2
55.01877	0.9
69.03440	0.4
70.06590	1.0
71.01360	0.4
72.08164	2.6
72.51279	0.2
73.02913	0.5
81.03428	0.9
83.01362	0.2
84.08128	0.3
85.02901	0.5
86.09708	0.9
97.02918	0.4
99.00166	0.3
99.00824	10.1
99.04463	16.3
109.02867	1.0
110.02399	1.4
110.24944	0.2
115.03929	1.4
120.08075	0.2
127.03977	0.2
137.05902	0.2
143.03412	100.0
145.04977	1.3
152.07097	1.0
154.04846	0.2
163.03944	0.4
169.09714	0.5
173.77904	0.3
177.05589	1.0
190.90855	0.2
206.05760	0.3
221.08087	6.0
305.08685	18.9
306.40643	0.3
566.23901	0.3
622.24933	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	621.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06613	1.3
66.86014	0.6
69.53866	0.6
80.70446	0.6
92.18336	1.0
129.61885	0.7
144.08130	1.2
158.09636	1.4
160.07564	20.3
160.08897	0.8
170.09665	10.7
171.10460	3.2
174.09132	10.8
186.09148	72.2
187.09912	26.9
200.10687	9.0
201.11670	5.5
201.13704	5.0
202.10927	1.5
202.14613	2.9
203.11768	5.5
213.13925	2.7
215.11771	4.2
217.13414	3.8
218.14171	21.4
232.15715	6.0
241.14500	0.7
269.20114	19.8
285.19501	0.8
368.21075	5.1
493.34583	0.7
570.36169	2.9
572.65942	0.8
585.37988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	1.7
70.06626	1.1
73.69055	0.9
76.35390	1.0
130.48262	1.0
137.05940	1.2
144.08092	25.0
145.08873	1.1
170.09647	100.0
171.10425	34.1
199.12349	1.1
201.13893	5.3
202.14664	41.8
228.13910	1.3
237.57745	1.2
240.36099	1.1
254.15425	5.4
261.08844	1.1
262.09229	1.1
277.08289	4.8
285.19647	43.8
301.19205	1.9
315.20673	5.3
404.16138	1.7
501.43491	1.3
571.35980	3.9
585.38062	78.1
585.47491	2.5
591.27692	1.5
621.27441	3.9
621.36145	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	621.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59777	1.2
59.09149	1.2
63.89631	1.5
65.15269	1.1
76.64166	1.5
78.10453	1.3
80.05511	1.8
89.06042	5.6
104.12967	1.5
120.08104	1.6
144.08095	2.5
145.71996	1.4
160.07590	25.2
170.09633	8.1
171.10445	2.2
174.09158	8.4
186.09146	81.9
187.09920	36.1
200.10719	7.4
201.11528	6.2
201.13786	5.3
202.14729	2.4
217.13376	5.5
218.14136	31.0
222.66937	1.8
232.15610	5.4
251.06892	2.2
269.19962	13.8
279.06516	5.7
287.21149	1.7
327.26788	1.8
368.20956	3.0
452.87491	1.6
570.35510	2.6
585.38000	100.0
587.13257	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	621.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97095	0.8
57.34708	0.8
58.06601	2.9
58.82608	0.7
68.24805	0.8
70.06586	1.6
72.08167	0.9
73.81643	0.9
81.03356	1.0
92.17887	1.2
128.50131	0.9
129.49773	0.9
137.05966	1.2
144.08081	28.7
158.09685	1.5
163.03842	1.7
170.09650	100.0
171.10419	38.6
174.69482	0.9
201.13814	6.5
202.14651	46.8
213.05528	1.0
221.47459	0.9
224.14355	1.6
228.13858	1.0
237.65245	0.8
243.20370	0.9
254.15472	1.8
261.08746	3.1
262.09106	1.3
280.33078	0.9
285.19611	51.7
301.11789	1.3
301.19199	3.7
302.12149	1.9
315.20578	5.2
369.08026	1.0
385.24496	2.6
454.18765	1.5
502.24991	1.1
571.36725	3.7
585.38000	93.3
591.27448	7.3
621.27118	8.0
621.37219	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	621.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
81.42065	0.6
91.71746	0.6
115.00182	0.6
167.07047	1.3
170.09671	0.6
185.04271	1.2
189.05217	9.6
202.06059	0.6
203.06808	4.5
204.07634	1.0
216.07652	0.9
217.08420	3.4
233.04309	0.8
233.07880	3.0
247.05717	8.3
248.06525	19.6
249.07492	0.6
261.07343	2.9
304.59097	0.6
365.12051	7.6
379.13617	23.6
395.12961	0.9
399.14224	0.7
427.13708	0.8
432.13062	0.7
459.16318	7.3
469.83237	0.6
477.16138	2.3
532.35645	0.5
621.21460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83762	1.1
54.22816	1.1
55.05518	1.4
69.07063	2.2
70.06599	2.2
72.08151	6.0
81.07066	3.3
83.08620	1.9
84.04515	2.4
84.08139	3.4
85.02891	7.6
85.06551	1.6
86.09712	3.1
92.17933	2.3
95.08617	14.9
99.04450	1.5
102.95499	1.6
105.01894	1.5
105.07033	2.1
107.08591	5.6
109.02904	2.9
109.06458	5.0
109.10167	57.0
119.08588	17.2
121.10143	6.9
123.08099	6.7
123.11701	2.9
127.03893	2.9
129.10287	2.1
133.10129	14.1
135.11694	51.0
137.09627	12.6
149.13239	3.1
151.11160	3.5
151.14799	13.1
170.09645	1.5
175.14816	25.3
185.66823	1.4
189.05141	1.7
193.15886	34.6
211.16934	100.0
246.70406	1.6
248.06523	6.7
299.62976	1.8
379.13736	2.7
383.15002	1.6
406.17459	1.4
459.22467	3.2
621.21008	39.1
621.29773	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	621.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14692	1.4
55.85562	1.4
66.69083	1.5
72.08155	3.6
81.03444	2.5
85.02919	9.5
87.00845	1.9
87.36123	1.8
109.02899	3.3
113.06033	3.0
127.03884	2.9
135.11694	6.7
137.02350	20.3
147.04445	7.1
151.03828	2.0
161.09618	2.7
163.03896	9.6
170.09555	2.1
179.10741	13.6
182.36118	1.8
191.03406	3.9
192.04175	3.1
193.04973	20.1
197.11752	47.0
221.08093	3.3
222.08363	2.0
237.51909	1.9
249.05978	2.1
285.04004	2.6
293.04166	1.7
295.06088	11.5
307.06082	2.2
309.07553	4.1
320.06863	3.4
321.03970	3.8
321.07620	63.0
333.07587	32.6
334.08438	4.3
335.09171	8.9
339.08691	7.4
347.09113	17.5
348.09998	2.4
349.07010	2.1
349.10889	3.2
351.08655	100.0
359.09024	2.9
361.10715	11.5
363.08649	71.6
363.12976	3.1
365.10062	2.6
367.86139	1.9
373.10818	11.8
375.08649	32.6
377.10257	23.3
381.09625	10.3
387.08493	16.5
389.10306	8.0
391.11905	15.1
393.09299	5.6
399.08466	2.7
401.10086	10.8
405.09769	38.2
411.08716	2.3
413.10168	2.4
417.09616	26.1
427.11914	2.5
429.09836	18.6
435.10678	26.1
447.10638	15.1
453.11661	10.2
465.11804	8.7
471.10986	2.6
478.76376	1.9
483.12854	71.4
501.14444	20.1
507.12860	10.9
513.10785	1.9
525.14020	16.7
537.13965	14.3
549.14288	9.6
555.15253	20.1
567.15094	17.7
585.16260	33.9
603.17200	59.8
621.24750	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	621.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00359	1.6
70.91759	1.8
80.95928	1.7
90.67063	1.6
115.49626	1.8
119.01874	2.7
127.02497	2.4
138.62036	2.1
143.01915	48.4
145.03511	6.8
155.01865	15.9
161.02968	25.5
167.01924	10.9
169.77449	1.7
173.02965	11.4
185.02983	38.2
191.01921	3.7
197.02928	3.6
203.04018	11.8
209.02960	8.4
215.04120	6.6
221.03026	1.8
227.03987	30.7
231.05019	4.0
235.04422	7.7
245.05046	56.9
249.06151	23.1
253.05688	10.6
259.04550	27.2
261.02383	3.7
261.06177	4.2
263.06161	9.6
267.07129	24.8
277.05548	48.9
277.08246	2.8
279.03662	3.9
279.07071	2.4
289.05609	7.9
292.07724	1.9
295.06705	37.7
297.04675	7.1
301.05716	2.3
307.06659	2.7
315.05670	3.2
319.06476	2.2
321.04578	4.0
331.06744	2.7
339.05621	18.3
351.05725	6.2
357.06732	11.2
365.07236	2.7
365.09854	1.8
365.45273	1.8
368.07239	2.0
369.06354	2.5
379.08783	3.7
383.10510	3.4
399.07788	6.9
441.08786	10.1
459.09833	19.5
559.14380	3.1
603.12347	2.2
621.15161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	100.0
71.05000	1.0
73.02911	3.8
73.04752	5.4
73.07165	0.7
74.87932	0.7
77.00599	1.1
87.04491	1.0
89.06031	4.9
91.05820	5.7
103.07591	52.9
144.88087	0.7
147.04729	5.9
147.10147	10.6
149.04488	1.3
163.06039	4.1
167.05556	1.4
169.03549	1.1
181.07114	4.5
191.07362	1.7
207.08704	3.4
221.08376	6.6
239.09523	22.0
251.11288	5.9
263.11420	1.1
295.13797	0.9
323.15314	1.3
339.16415	0.9
420.55023	0.9
513.29266	1.7
578.89191	0.9
620.36786	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16951	9.0
57.07082	73.2
57.12506	7.8
87.04476	10.8
89.06036	100.0
92.44165	10.0
104.10732	38.9
108.31107	9.9
121.06503	20.6
133.08630	17.8
142.20851	10.6
146.88118	10.0
169.41319	10.6
233.19014	13.7
286.99146	9.6
463.13419	10.8
550.43530	14.2
603.41052	67.6
620.44281	77.2
630.91357	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	620.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95211	43.8
67.05509	78.7
81.07024	60.0
93.07068	99.5
95.08625	52.5
153.75502	49.8
405.26538	100.0
423.27203	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39848	1.2
55.05523	20.7
67.05515	14.8
69.03434	2.3
69.07063	2.1
79.05507	10.1
81.07053	5.5
83.08625	20.1
85.06596	1.6
91.05506	1.1
93.07054	6.3
93.78546	1.1
97.10175	74.0
107.08600	16.6
108.08085	1.1
109.10155	2.3
110.68235	1.2
125.09637	100.0
135.08061	8.4
143.10674	5.0
153.09125	26.8
163.07613	1.7
171.10181	22.2
189.11229	51.9
227.12778	91.1
245.13869	7.5
277.17923	1.7
305.17383	2.3
348.71021	1.1
379.21280	2.8
397.22189	31.2
415.23267	70.7
549.30743	2.6
567.31689	30.3
585.23956	1.9
585.32782	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33478	1.6
52.17173	1.7
58.06607	2.2
64.79893	1.6
65.97343	1.9
69.06226	1.8
70.06599	28.9
72.08169	18.7
73.05282	1.6
81.03423	1.7
84.08148	12.8
86.09715	2.0
87.09232	4.3
89.87326	1.7
93.07046	1.7
98.09697	4.0
100.07590	2.4
107.88564	1.7
108.40968	1.6
110.09674	1.9
112.11252	7.0
113.07088	2.3
114.09182	4.3
116.29929	1.6
120.70992	1.6
121.10101	2.9
123.04421	3.1
129.13867	6.6
145.02823	2.2
145.10097	2.7
153.05482	3.3
163.03896	82.8
164.07098	3.6
165.05424	3.6
186.09210	2.2
220.09694	91.6
222.11279	15.9
223.11604	10.4
249.12354	7.9
253.08568	21.8
261.08731	8.5
262.09119	3.4
266.13892	2.5
268.09607	1.9
285.12320	2.0
295.16483	6.9
301.11908	9.9
301.19150	2.3
302.12192	7.9
309.18213	6.5
321.18118	2.2
324.19189	8.0
366.16888	2.5
407.17871	2.9
409.19644	3.7
452.18152	7.0
453.18570	9.7
483.19272	2.4
486.22177	12.2
501.24713	100.0
585.57513	2.1
590.27075	18.9
602.28308	9.8
620.29730	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16237	0.4
56.53933	0.5
57.20966	0.5
60.17459	0.5
61.06471	0.4
69.03440	0.7
72.08162	0.9
73.02924	24.3
81.03416	3.9
85.02919	0.8
92.45025	0.5
109.02881	2.4
113.02333	0.6
126.12277	0.5
137.05998	5.5
147.04390	0.6
151.03888	5.9
153.05553	0.7
161.05972	0.7
163.03958	0.6
176.82263	0.6
187.03877	1.3
194.05719	2.2
195.06528	19.4
212.19154	0.6
231.02931	3.5
231.06506	1.2
249.05453	4.6
250.06450	0.6
251.07094	2.7
253.08548	0.9
263.07062	3.0
265.08585	1.3
271.76752	0.6
275.05417	10.3
277.05035	4.8
277.08252	1.1
279.06586	0.8
281.08124	7.6
282.08575	0.7
283.09674	1.0
287.46555	0.6
291.06393	0.7
293.08136	4.4
294.05322	1.0
295.06073	2.4
299.09000	0.6
307.09982	1.8
309.07581	21.1
309.11081	1.2
311.09091	0.8
319.05939	1.4
321.07486	0.7
327.08633	0.8
337.07047	11.6
353.10242	8.8
363.08701	2.4
381.09598	9.9
399.10941	0.6
421.22821	0.6
437.10901	2.8
489.13992	0.9
517.13403	0.7
561.16138	6.8
595.08020	0.6
620.23389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58746	0.5
70.06551	1.2
72.08114	4.5
73.02921	26.8
81.03384	1.0
84.08087	0.7
85.02867	3.7
86.09669	1.0
87.04467	0.7
88.11234	0.9
88.63658	0.6
92.17820	1.3
114.10224	4.4
115.08640	3.6
120.08016	3.0
123.04353	1.0
126.72400	0.6
137.04456	0.6
143.03333	1.1
151.03915	10.9
163.03868	1.2
165.05399	1.1
166.08630	0.9
187.03912	7.9
195.06529	52.4
219.46742	0.7
231.02878	13.0
231.06325	0.9
233.05879	1.2
235.14326	1.2
236.12613	4.9
236.14720	2.3
237.13203	5.0
249.05360	0.8
251.06842	0.9
262.12500	0.7
265.08432	4.5
275.05487	45.5
277.04922	6.5
278.14896	3.5
279.15201	3.2
281.05075	1.0
281.08075	25.1
295.17480	2.4
296.17795	3.6
309.07639	13.9
321.07599	21.4
322.08188	4.3
337.06961	1.3
353.10120	6.1
355.08075	11.8
381.09726	14.9
399.10361	0.8
440.46637	0.7
540.92535	0.9
561.15765	2.8
620.22760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.5
70.06552	0.7
70.17700	0.4
72.08136	0.4
74.32587	0.4
76.07660	0.4
115.32277	0.4
160.07573	36.4
162.09230	0.5
170.09627	1.0
174.09160	3.1
175.09946	0.5
186.09148	100.0
187.09933	42.0
192.71304	0.5
202.10947	1.0
205.14853	0.5
217.13345	8.0
218.14145	35.9
228.13921	1.0
241.14587	0.9
261.16006	2.8
285.19562	4.1
302.17343	0.7
313.16693	0.7
316.19348	0.5
328.18939	3.4
359.23285	11.9
601.37561	2.6
619.38586	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41537	0.4
124.09731	0.5
137.86023	0.4
160.07571	13.6
162.11089	0.5
174.09332	0.6
186.09146	41.3
187.09929	30.5
217.13336	2.4
218.14153	63.4
264.14127	0.5
296.66168	0.5
303.20688	100.0
317.18646	15.8
331.20129	0.6
600.24463	0.6
619.38556	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	619.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	0.5
85.02927	0.7
86.95068	0.5
87.28074	0.5
104.07326	0.5
170.09691	0.7
188.71880	0.6
218.62599	0.6
284.11612	3.3
285.12326	70.1
309.07568	0.7
311.04724	0.5
350.14410	0.6
376.12845	0.6
382.21204	0.7
391.15665	1.1
406.17603	55.3
408.19162	46.2
422.21191	0.6
426.20047	0.7
436.18604	2.6
451.17438	3.4
452.18152	49.7
482.19250	10.9
589.26617	2.5
619.27643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.278
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30368	3.2
77.03919	5.1
95.04981	3.9
128.02544	3.8
143.07257	4.3
144.08060	25.7
154.06508	6.0
160.07545	8.3
170.09645	31.5
186.09161	44.8
187.09856	5.2
218.14195	4.6
285.12314	67.8
307.67349	3.6
344.79181	4.1
363.34015	3.9
406.17621	47.3
408.19266	45.5
452.18124	47.5
482.19348	5.1
592.72742	4.1
619.27649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.277
Annotation	Unknow
Peak:m/z	Relative Intensity
92.24376	0.8
102.02147	0.9
116.35099	0.9
122.06023	1.0
124.07581	1.4
136.07611	1.6
138.09160	9.0
138.83749	0.9
143.99701	0.8
164.07071	3.4
164.10703	4.3
174.09143	19.1
176.10675	2.7
180.76006	0.8
192.10219	5.1
200.31030	0.7
204.10243	2.0
217.09694	1.5
235.10881	1.5
236.14577	0.9
241.76407	1.0
243.07678	1.2
245.09299	1.6
257.09177	7.5
257.12860	1.5
259.11026	1.3
260.07950	4.3
261.08707	90.5
263.10403	1.9
269.09222	1.5
283.10944	1.3
285.08749	10.2
285.12228	3.1
287.10263	33.4
300.11081	4.8
301.11841	100.0
305.07660	1.5
313.08264	15.2
315.09662	8.2
332.15213	1.0
363.16748	1.2
378.18210	4.5
398.17157	4.4
406.17609	25.4
407.15997	1.4
408.19336	4.4
418.17633	1.7
424.18558	2.1
434.17188	26.2
436.18683	1.8
450.16833	3.7
452.18222	43.0
456.21240	1.0
464.17914	1.0
468.17523	1.0
482.18936	7.6
571.25732	4.5
573.27319	1.1
589.26556	68.8
601.25775	1.3
619.27594	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13470	0.4
63.59677	0.4
73.94531	0.5
84.04470	0.9
91.05482	5.8
105.07039	6.6
105.73009	0.5
111.18858	0.5
119.04948	18.7
122.09684	5.9
147.03206	0.8
147.04414	24.1
148.73909	0.4
157.03938	3.1
175.03905	83.9
179.06979	1.0
187.12320	1.1
191.63805	0.4
205.13393	7.2
207.06526	100.0
214.87569	0.5
233.12845	13.6
234.11259	2.1
251.13905	4.4
336.10864	0.6
351.10834	0.5
379.98590	0.5
380.43478	0.5
439.18588	0.7
457.19699	7.7
619.26074	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	619.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94813	0.6
70.06584	3.4
71.90761	0.5
81.07088	0.5
94.47340	0.5
96.04511	0.6
107.07336	6.9
122.06026	2.2
122.09672	100.0
124.11190	0.9
136.07599	4.0
148.11218	0.7
150.09145	16.9
151.09904	0.6
164.07059	10.8
176.10733	2.9
177.06593	1.0
181.09714	7.0
188.07016	0.9
191.08144	7.3
200.10342	0.5
202.08630	1.2
203.39883	0.5
204.10243	2.3
217.09677	0.7
230.08162	4.7
235.10812	0.7
244.09558	0.8
245.09285	0.7
248.09175	3.2
261.08701	10.8
263.10266	3.5
272.09119	1.9
285.12457	1.0
287.10272	3.7
287.62793	0.5
290.10168	0.5
305.11319	2.1
307.12976	4.5
333.10818	1.0
390.18115	1.0
397.22092	0.6
398.17133	2.7
406.17694	0.7
410.20197	0.6
418.17499	1.0
425.23599	0.7
428.21951	0.8
438.20386	0.9
454.19489	0.6
456.21213	4.7
464.18219	2.2
470.19254	7.6
478.25665	2.1
482.19070	1.1
527.27014	0.6
529.15820	0.5
573.26831	1.1
591.28204	10.1
601.26709	13.3
619.27698	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	619.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06592	9.3
72.08156	10.4
80.13932	1.6
84.08132	2.6
98.09677	1.6
107.25125	1.2
110.09675	1.3
115.00576	1.3
131.04953	5.4
135.04419	1.7
137.05957	5.1
154.97333	1.2
155.11758	3.1
159.04393	1.7
161.05986	5.5
162.06734	12.7
163.03897	51.1
163.07564	2.0
167.07042	9.4
167.57996	1.5
168.07449	1.7
169.03145	5.6
169.07623	1.4
170.09639	1.3
173.10924	1.4
177.05484	6.5
189.05267	8.1
193.03204	24.4
194.04010	5.6
203.06886	1.5
220.09697	39.1
233.07808	2.2
246.04970	8.9
259.05811	5.3
270.07706	2.5
284.09103	9.6
312.08630	29.3
314.09769	1.6
365.12091	3.3
379.13620	19.3
424.18671	6.5
457.14670	9.2
515.18011	2.0
619.19611	100.0
619.27863	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13166	0.4
69.03425	0.8
70.06583	1.0
72.08154	2.2
78.80580	0.5
79.67269	0.5
84.04500	3.7
84.08109	0.6
85.02900	2.4
86.09679	0.6
91.05504	3.9
95.50952	0.6
97.02904	0.6
105.07038	20.1
119.04940	17.4
122.09679	18.4
130.05046	0.8
147.04414	21.8
156.75662	0.5
157.03978	1.3
162.06696	1.2
167.07027	2.3
168.09422	0.5
175.03909	83.4
175.49603	0.5
177.05461	0.6
187.12347	0.7
193.03200	3.4
193.08585	0.6
199.07465	0.6
205.13345	7.3
207.06529	100.0
233.12852	14.6
234.11230	11.5
251.13885	21.5
277.11801	0.6
284.11716	0.5
353.13617	1.1
424.19031	2.1
439.18619	0.7
457.19724	37.8
619.18512	1.1
619.28058	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	618.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89473	0.4
55.05526	0.8
69.07068	3.5
70.06586	2.5
72.08161	24.7
81.07035	0.6
84.08154	5.5
84.93945	0.5
86.09712	100.0
91.05505	0.7
95.08640	0.6
100.23151	0.5
107.08567	0.7
112.07652	0.8
131.11816	0.7
136.07611	1.2
140.07074	1.2
140.14372	4.7
141.10286	0.8
154.15916	3.0
160.07545	1.1
163.03893	2.7
165.05431	0.6
182.08142	0.8
185.15138	0.6
185.16504	5.0
188.26570	0.6
189.05498	1.3
189.09103	4.2
197.16458	4.3
202.12236	6.1
208.13350	0.6
213.16029	3.6
219.10175	0.9
220.09729	0.7
222.11243	0.8
225.15971	21.4
231.10153	8.5
248.12823	14.8
253.15388	0.6
265.15482	5.1
275.14044	1.2
281.14999	0.6
321.14462	1.0
333.21829	0.6
333.65039	0.6
338.24417	12.7
345.60934	0.6
378.24136	1.9
388.22504	0.9
394.23352	5.5
406.23413	2.1
434.22751	0.8
437.31216	3.0
460.28036	0.6
505.30103	7.0
519.31824	3.3
533.29736	10.9
590.39331	5.7
600.37964	0.9
601.35913	2.8
618.29266	3.5
618.38666	43.9
618.80591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38380	2.4
53.77172	2.4
70.78273	3.0
76.08090	2.6
106.96823	2.9
125.43532	3.1
143.40274	3.2
144.08054	24.1
170.09644	100.0
171.10445	30.5
199.12292	14.7
201.13991	4.2
202.14691	37.7
205.64308	3.6
247.61467	3.0
255.01894	3.1
555.36847	78.5
571.80066	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	618.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06643	2.0
77.92822	1.8
92.17847	2.1
103.97315	1.6
114.09152	8.9
116.58533	1.6
121.31859	1.6
138.94099	1.8
144.08076	28.7
158.09705	2.3
167.06998	3.0
170.09642	100.0
171.10435	32.4
194.42566	1.8
198.12897	3.1
199.12296	10.4
202.14653	35.1
228.16002	1.9
254.64421	2.2
255.18636	2.1
363.59119	1.8
555.36969	88.8
617.96393	7.9
618.29688	2.6
618.46234	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	618.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06430	2.3
58.06593	14.5
59.07377	4.6
60.08170	20.8
65.26428	2.1
74.02427	4.0
77.97440	2.3
91.05489	11.1
105.07006	5.4
107.04958	4.9
118.06516	4.0
120.08103	2.9
130.08661	5.9
131.04951	17.2
146.06088	4.7
163.42780	2.2
167.08566	3.2
172.04039	4.2
195.08260	2.8
208.11197	4.8
222.12906	3.0
241.08621	22.1
250.12299	4.8
309.19650	47.8
424.22083	2.6
618.31726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08577	1.6
58.06597	11.6
59.07384	9.1
60.08172	25.9
75.05736	2.3
78.32840	2.0
86.09715	2.3
91.05485	10.7
103.05468	2.5
105.07011	4.1
106.11642	1.9
107.04967	3.2
120.08125	2.8
130.08662	8.2
131.04932	15.7
146.06018	12.8
149.80363	2.5
159.06842	2.6
167.08575	4.5
172.03951	3.5
195.07922	2.8
202.30730	2.7
203.56961	2.5
205.10231	2.1
208.11284	3.6
241.08607	17.2
250.12396	8.1
309.19568	48.4
309.22861	2.5
344.96295	2.0
357.04562	2.2
466.63318	2.0
518.20154	2.4
618.31842	100.0
642.57043	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	618.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56851	0.4
53.09375	0.5
54.01938	0.4
57.01046	0.4
58.06609	0.7
70.03694	0.5
70.06575	0.5
72.04525	29.5
73.42673	0.4
88.02221	1.0
100.07627	100.0
106.48848	0.4
116.05357	3.4
144.08067	0.9
158.09659	53.8
170.09662	32.8
171.10057	3.2
172.10449	0.7
186.09090	0.5
190.06871	5.6
201.13934	4.1
202.06799	4.3
204.08475	3.0
230.09950	0.7
233.11041	7.3
275.12134	8.4
332.17789	3.7
333.18671	8.3
513.19519	0.5
558.14960	0.6
618.31128	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04816	0.5
51.76105	0.6
60.29601	0.5
70.06602	0.8
72.08136	0.6
73.60052	0.5
84.08096	0.6
85.02917	2.3
89.06026	0.6
91.05492	2.4
93.03401	3.8
93.07060	0.8
103.05481	1.0
105.07046	7.4
106.04200	2.9
107.04971	4.2
112.11392	0.6
118.04156	1.0
119.04892	0.7
121.06508	4.9
123.04369	0.5
123.08051	1.2
124.05106	0.7
125.06002	2.5
131.04941	0.9
133.06494	9.6
135.08046	1.4
137.05983	3.6
149.05995	17.4
150.06772	4.6
151.07599	4.3
153.09114	3.4
161.05971	5.7
163.03902	2.4
163.07549	3.7
165.09090	6.9
167.07037	100.0
177.05499	10.6
179.07002	2.3
181.08600	9.5
191.07074	1.3
193.08620	77.8
195.06535	1.2
195.10196	2.9
209.08107	41.4
211.09659	84.6
235.50278	0.6
363.58978	0.7
391.17419	3.2
403.17514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67398	0.4
55.05505	0.5
56.94262	0.5
58.06585	0.7
70.06596	4.3
70.06888	0.4
71.20383	0.5
72.08159	12.7
81.54664	0.6
84.08149	2.1
85.02909	0.7
86.09713	0.7
98.06036	2.1
100.07615	4.4
102.09384	0.5
112.11230	4.3
123.04421	19.0
129.13882	1.3
136.07600	1.2
149.06007	0.5
151.03918	2.3
161.05995	0.8
163.03934	1.1
164.07031	2.3
165.05467	20.3
167.07057	0.7
167.62442	0.5
177.05492	1.0
179.03394	6.6
193.08617	2.9
209.08136	2.2
211.09613	2.6
220.09717	0.8
221.12857	1.3
222.11243	100.0
235.02307	0.7
262.07034	1.9
267.04974	17.6
275.42938	0.6
276.05011	0.5
278.10333	3.2
281.06390	0.7
293.18655	3.9
295.04538	2.2
308.07495	1.0
366.11819	5.1
380.13510	2.7
431.11060	0.7
608.90009	0.6
618.26550	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56353	0.4
58.06612	16.3
59.07393	12.0
60.07875	0.9
60.08176	26.5
63.16559	0.3
78.01713	0.4
91.05482	8.0
92.16248	0.4
103.05495	4.5
105.03384	0.9
105.07031	4.6
106.06562	0.8
115.05482	0.5
116.04992	0.5
118.06528	3.5
119.04967	0.4
119.07338	4.8
120.08113	24.9
130.06577	0.9
131.04935	14.4
132.08040	0.7
134.06042	1.9
135.06799	0.6
136.07596	4.0
145.05254	5.8
146.06017	10.0
147.08046	0.4
148.07571	1.0
148.11195	0.8
160.07504	0.5
162.05496	0.6
165.14555	0.4
175.08656	0.6
179.08559	6.5
181.06526	1.9
181.10156	2.4
182.09633	0.5
189.45723	0.4
195.08116	1.6
196.11234	1.7
197.60794	0.5
205.10097	0.7
207.08078	6.4
207.14963	1.8
208.11229	2.3
220.11159	0.6
222.12767	2.2
224.10718	16.9
234.09203	0.6
235.09865	0.6
236.10675	3.5
246.09247	0.7
248.10736	2.1
249.11522	1.7
250.12332	2.7
251.11720	0.5
262.08713	0.5
263.11823	1.9
279.11285	0.5
309.19684	8.8
383.17831	0.7
429.72638	0.5
589.31537	2.1
617.31299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81147	0.3
53.96936	0.3
55.07289	0.3
57.07598	0.3
68.99296	0.4
69.07683	0.4
70.06593	2.2
71.22568	0.4
72.08162	27.1
83.61929	0.5
84.08138	0.6
84.47351	0.4
86.06084	0.6
86.09682	0.5
89.10800	25.3
90.86651	0.4
91.05460	0.6
98.06074	0.8
102.55737	0.4
115.08693	2.7
119.04929	2.1
147.04419	100.0
165.13977	0.5
172.79617	0.4
197.43600	0.5
218.11769	13.5
235.14426	75.7
279.13394	0.5
392.18134	0.6
617.23682	0.6
617.33588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30807	0.8
53.04563	0.9
57.66490	0.8
58.06597	1.6
63.88454	0.9
70.06601	7.3
72.08164	12.4
74.95309	1.0
82.89703	1.1
84.08150	6.3
85.02882	1.3
86.09733	1.6
97.81248	0.9
98.09711	1.8
107.04961	9.4
110.09687	1.4
112.11229	7.7
121.02898	1.4
121.24747	1.0
129.13860	2.2
135.04440	2.1
145.02876	3.6
155.11832	6.6
162.05524	1.9
163.03903	59.9
167.07069	1.6
186.05638	1.2
192.06607	3.8
201.04315	1.0
204.06670	1.6
220.09706	66.5
268.09680	14.3
292.09839	2.3
310.10739	10.8
423.68774	1.2
438.24197	2.0
455.26480	2.5
548.53851	1.1
599.24750	1.2
617.29773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2595
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
50.40749	2.4
67.03596	2.5
105.94148	2.8
108.44847	3.1
121.06485	7.1
125.06007	3.8
137.06036	3.2
149.05995	28.7
151.03882	12.2
153.09190	4.3
161.06030	4.3
162.05544	12.2
164.16322	2.7
167.07040	76.1
177.05466	6.2
181.08534	20.7
193.08636	11.9
207.10466	3.0
209.08090	21.5
211.09644	27.5
259.14410	45.6
267.56451	3.5
285.12421	3.1
380.19727	16.3
382.21191	83.6
426.20184	48.4
456.20920	4.5
587.24670	5.7
617.26038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2673
Annotation	7,7'-bis(dehydro-O-methylisopiline)
Peak:m/z	Relative Intensity
51.55384	0.4
54.80876	0.3
57.03439	0.4
60.05648	0.7
61.02907	0.5
61.21843	0.3
61.88348	0.4
64.81076	0.4
67.02720	0.4
67.94406	0.3
69.03436	3.1
71.04976	0.5
72.08154	5.9
73.02920	0.6
81.03388	0.6
85.02410	0.6
85.02908	12.4
87.04448	0.4
87.49052	0.3
89.10793	0.5
91.03944	0.7
97.02888	4.3
97.07675	0.5
98.06054	0.4
99.04470	0.6
109.02864	2.1
114.10297	16.2
115.08713	3.7
127.03925	5.6
131.12939	6.0
135.04396	0.6
143.11806	0.6
145.02815	2.5
145.04938	3.4
157.10875	2.8
163.03903	100.0
164.48759	0.4
176.07532	0.4
187.87091	0.4
199.57722	0.4
233.12860	5.6
234.11295	5.2
261.42953	0.4
276.13416	6.1
292.15182	0.5
293.16043	6.2
293.98895	0.4
391.77658	0.4
455.21494	0.8
617.26648	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48520	0.5
68.16028	0.4
73.39350	0.5
140.89658	0.5
144.08081	29.3
158.09718	1.7
159.10474	0.5
167.63972	0.5
170.09636	100.0
171.10422	19.2
187.12236	0.6
201.13879	5.7
202.12869	1.0
202.14626	10.6
272.30368	0.5
298.40311	0.5
399.48734	0.6
490.66437	0.6
616.32782	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	616.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60963	0.9
58.60598	0.8
58.97033	0.9
69.03442	1.1
79.05505	1.0
81.03433	1.5
85.02907	6.5
88.85978	1.0
90.17059	1.0
93.09866	1.1
97.02893	1.2
102.57078	1.0
107.04967	12.6
117.07050	1.3
124.05207	1.6
126.90788	1.0
131.08557	4.1
137.05983	1.4
140.64021	1.0
141.06963	1.1
145.06496	9.4
159.08054	8.1
167.07033	47.1
173.05994	19.1
175.07555	1.1
180.08698	1.7
181.04904	1.5
187.07555	8.1
190.06201	8.6
193.08565	1.2
203.07158	1.3
205.08557	21.1
207.06544	1.5
217.08595	30.1
217.10571	1.6
219.08160	1.8
219.10156	1.6
228.84045	1.4
229.08578	5.4
231.08064	1.4
231.10155	1.9
233.09732	2.3
235.09529	1.9
245.09657	2.0
247.07539	5.2
247.09700	7.1
248.08385	1.7
261.09131	1.3
263.10623	7.4
264.07837	2.3
265.10724	11.0
271.09592	1.8
275.06985	1.3
276.07843	4.4
279.10172	8.7
281.11609	1.1
290.09286	3.9
291.10040	9.2
293.08160	1.5
299.08972	1.2
305.07837	1.6
307.09622	6.3
308.10489	6.4
310.08356	1.5
311.12686	1.4
315.08612	26.5
319.09628	2.1
321.07565	1.5
321.11099	1.6
322.12146	1.3
323.12720	7.2
330.10971	34.2
331.11719	2.3
336.09875	5.9
337.10718	5.1
339.12494	1.7
343.11847	8.3
350.11337	1.9
351.12216	9.2
353.10156	6.0
356.12778	2.2
368.12585	13.0
369.13257	10.2
371.14905	4.4
383.14865	65.9
385.16501	1.7
401.15964	100.0
435.89929	1.0
510.14261	1.3
588.94861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79386	0.8
55.01879	1.3
56.55377	0.8
65.03938	0.9
68.54226	0.8
69.03350	0.9
69.86752	0.7
70.06602	9.5
72.08148	5.9
73.02964	0.9
73.83295	0.7
75.04461	3.8
78.04688	1.0
79.05483	1.0
81.03400	0.8
83.04953	0.9
84.08140	3.8
85.02935	7.3
89.06052	2.1
91.05479	4.7
93.03404	17.9
93.07049	7.3
95.04958	3.6
99.85920	1.0
103.05463	5.0
105.07038	13.6
106.04185	16.0
107.04948	2.1
114.10306	1.2
115.02962	0.8
115.05462	1.8
119.08557	0.9
121.05688	1.7
121.06499	34.6
123.08122	1.3
125.06003	13.7
131.04951	5.0
133.06479	20.4
134.03629	2.1
135.04411	1.6
135.36342	0.8
139.07544	1.9
145.02881	1.8
147.04367	1.0
148.05212	1.3
149.05983	72.5
151.07576	1.8
153.05531	0.9
153.09091	20.2
153.10236	1.3
161.05981	48.0
161.07352	1.5
163.03912	8.9
163.07529	4.0
164.04221	1.2
166.06223	1.1
167.06999	2.1
177.05457	42.1
178.92944	0.9
181.08607	31.2
191.07021	23.8
193.08601	54.9
196.90198	0.9
209.08092	100.0
211.09729	0.9
213.93805	0.9
220.09679	3.9
222.11166	1.2
315.19507	1.0
383.14789	1.4
387.14487	4.4
401.15524	1.1
419.16147	6.2
511.81879	1.0
542.22955	4.8
572.50128	1.2
607.81970	1.4
616.27209	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	616.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60811	0.1
64.78649	0.1
78.47592	0.1
85.02905	0.8
92.18407	0.2
97.02874	0.2
98.48571	0.1
107.04956	0.2
110.11979	0.1
123.04445	0.3
141.19438	0.2
149.05966	0.3
152.04720	0.2
155.97675	0.2
161.05972	0.4
162.07498	0.2
167.07039	100.0
168.07356	0.9
179.07033	0.3
180.08659	0.2
181.08601	1.0
189.10481	0.2
193.08617	3.6
209.08139	0.2
211.09662	19.4
227.09276	0.7
543.52832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68929	0.8
57.46224	0.9
64.40038	0.9
70.06577	1.1
72.08170	1.1
84.08154	0.9
85.57299	0.9
92.18405	1.1
103.10223	1.0
104.98679	1.0
107.04952	7.7
124.05184	1.2
132.69008	0.9
145.06493	1.6
159.08066	2.3
167.07028	32.4
173.05980	1.5
180.91147	1.2
187.07474	1.7
188.07068	1.1
203.03603	1.0
205.08583	7.8
217.08621	17.1
219.08118	2.3
219.10210	1.5
229.08586	5.4
231.08084	1.6
233.09682	1.3
245.09540	3.5
247.07513	5.6
247.09775	3.5
248.08388	3.9
251.10675	1.5
259.07364	1.3
261.09247	1.6
263.10672	8.0
264.07834	2.3
271.09549	3.9
276.07739	4.6
279.10056	10.5
290.09369	2.1
291.10083	9.1
292.07327	1.2
293.08057	4.0
296.10449	1.7
307.09662	7.7
308.10413	7.4
309.07645	1.0
310.08292	1.2
311.12540	2.1
315.08667	18.5
318.09024	1.3
319.09656	5.5
320.10529	1.3
322.12039	1.0
323.12784	8.2
326.11462	1.2
330.10934	31.3
331.11664	1.8
336.09949	4.2
337.10645	7.1
339.12244	6.7
343.11594	7.4
351.12204	6.6
352.12897	1.9
353.10129	5.0
356.12674	3.5
368.12494	15.0
369.13412	6.0
371.14993	2.1
383.11063	1.2
383.14868	62.0
401.15955	100.0
419.16818	3.8
566.15771	1.1
630.40460	1.1
634.76300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02813	0.6
57.30928	0.6
66.91010	0.7
70.06575	2.6
72.08157	0.8
79.05503	1.0
81.03421	3.7
84.17398	0.6
84.64358	0.7
85.02888	1.1
92.18356	0.7
97.02882	1.3
107.04961	12.2
127.03942	0.8
131.08586	1.0
145.06509	7.7
159.08020	7.0
159.35867	0.8
161.05963	1.3
163.03902	2.7
167.07042	48.0
169.06476	1.4
173.05991	29.2
175.07544	1.0
177.05415	1.0
180.08691	1.2
187.07545	5.9
190.06250	8.8
191.07101	1.2
193.08617	1.5
195.06529	1.0
201.09045	1.5
202.06262	0.9
203.07025	3.4
205.08589	28.7
207.06593	1.3
215.07076	1.0
217.08594	30.6
217.10576	1.3
219.08084	4.4
219.10196	3.3
220.09665	1.1
222.11234	3.0
228.77631	0.8
229.08505	4.8
231.08083	3.3
233.09653	2.9
235.09523	5.2
236.08417	0.7
245.09564	2.9
247.07518	2.8
247.09673	7.1
248.08281	5.5
249.09019	1.0
251.10686	3.3
251.13861	0.7
259.07504	1.2
261.09177	1.6
262.09860	1.1
263.10660	5.6
264.07819	3.3
265.10699	12.5
271.09808	3.4
275.07083	1.2
276.07779	2.8
277.08533	3.0
279.10162	7.5
289.08728	1.0
290.09399	1.4
291.10104	9.6
292.07159	0.9
293.08020	2.5
296.10370	0.9
299.09207	1.6
305.08127	1.7
305.11938	0.9
307.09445	6.6
308.10376	4.8
309.11261	0.9
311.12833	1.5
315.08618	20.7
318.08813	0.9
319.09689	4.9
321.07578	3.2
321.11084	1.0
322.11948	1.6
323.12827	5.4
325.10501	1.1
328.09668	2.7
330.10959	31.3
331.11707	3.4
336.10034	3.1
337.10733	3.5
339.12442	3.3
340.13300	0.8
343.11716	7.2
346.02689	0.8
350.11322	3.1
351.12323	6.9
352.13135	3.3
353.10107	5.2
356.12396	1.3
368.12546	13.1
369.13220	7.1
371.14917	5.0
383.09720	0.7
383.14868	63.7
401.15961	100.0
419.17084	1.1
478.08347	0.8
509.12387	0.8
520.46490	0.9
589.86823	0.7
616.28448	3.8
623.63702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01786	0.6
69.03451	1.2
72.07785	0.7
72.08157	3.1
73.45236	0.7
73.68883	0.6
81.03423	4.1
85.02913	6.1
92.18539	0.8
97.02895	1.1
100.07629	0.8
107.04963	11.8
111.34283	0.7
117.05109	0.6
117.06995	1.1
123.04404	1.1
124.05180	1.3
131.04941	0.9
131.08553	3.2
141.06987	1.0
145.04965	0.7
145.06502	7.5
159.08075	8.0
163.03877	3.6
165.05464	1.3
167.07036	41.4
173.05978	15.7
175.07545	0.9
177.05463	1.5
180.08643	1.3
181.04936	1.3
181.08635	0.8
187.07555	9.0
188.08965	0.9
190.06270	5.2
191.07040	2.8
193.08684	1.4
195.06534	1.0
201.09163	1.3
202.06187	1.0
203.07083	1.1
205.08594	17.8
207.06468	1.5
207.10254	1.1
211.07689	0.8
217.06526	0.9
217.08591	28.1
217.10573	1.1
219.08002	3.0
219.09946	1.9
220.09225	1.0
221.09720	1.1
222.11256	8.0
229.08640	4.4
231.08043	2.9
231.10207	1.6
233.09669	3.2
235.09525	1.4
245.09604	1.2
247.07442	3.6
247.09711	7.4
248.08304	1.7
251.10674	2.9
259.07550	1.4
260.08148	1.0
261.09079	2.7
262.09885	1.6
263.10587	5.5
264.07910	3.2
265.10721	6.5
271.09750	4.6
274.07199	1.6
275.07092	1.5
276.07813	2.9
277.08517	0.8
279.10162	9.2
289.08774	1.0
290.09412	3.9
291.10129	9.2
293.08063	1.7
296.10361	0.9
299.09146	1.4
305.08047	1.5
305.11679	1.0
307.09683	5.8
308.10468	4.1
310.08472	1.1
311.12964	1.3
315.08591	20.4
318.08798	0.9
319.09671	4.7
321.07605	3.5
321.11102	1.0
322.12024	1.5
323.12796	8.1
324.10016	1.3
325.10632	1.6
328.09332	1.0
330.07141	1.1
330.10968	30.8
331.11743	3.9
336.09833	3.6
337.10629	5.7
339.12244	5.0
343.11765	7.2
348.24780	0.8
350.11536	1.7
351.12149	7.7
352.12939	1.3
353.10196	5.7
356.12671	1.5
364.13828	3.2
368.12546	14.0
369.13373	9.2
371.14853	5.0
383.14880	62.6
401.15964	100.0
402.11456	0.9
419.17004	1.2
616.28644	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99608	1.2
69.03433	1.5
70.06596	3.3
72.08163	5.6
81.03426	8.8
84.04506	1.9
84.08136	2.8
85.02903	8.9
97.02877	2.2
107.04966	16.2
117.07032	3.2
123.04452	3.1
131.04990	1.4
131.08536	3.0
135.04414	1.5
138.28841	1.3
145.06470	17.0
159.08051	12.3
161.05957	3.2
162.07658	2.1
163.03897	9.5
163.14948	1.9
165.12917	1.3
167.07037	74.0
173.06001	58.3
173.07510	1.9
179.07092	1.5
180.08682	6.7
187.07558	14.1
190.06252	25.5
191.07059	2.1
193.08606	1.5
193.60043	1.3
203.07074	8.5
205.08612	66.2
207.06578	3.1
207.10304	1.7
211.07288	1.4
215.06918	2.3
217.08621	56.4
219.08195	1.9
219.10133	3.2
220.09682	3.3
222.11227	5.6
229.08658	3.1
231.08090	2.7
233.09666	2.2
235.09589	12.2
247.07495	4.6
247.09680	10.7
248.08379	3.4
249.09181	2.5
261.09119	1.8
263.10703	10.5
264.07849	5.7
265.10718	37.4
265.59177	1.6
271.09702	5.6
276.07852	3.0
279.10248	10.9
290.09344	2.4
291.10092	13.5
292.07761	1.4
293.08136	5.5
296.10498	1.6
299.08975	1.7
303.13565	1.7
307.09525	8.0
308.10461	8.5
311.12799	2.2
315.08640	32.4
319.09729	6.0
321.07666	1.8
321.11182	2.0
323.12698	6.6
330.10986	36.9
331.11877	3.1
336.09796	2.3
337.10699	3.2
337.28311	1.6
339.12183	2.0
343.11810	8.3
344.29462	1.4
350.11615	2.2
351.12302	8.5
352.13010	3.1
353.10229	5.4
356.12820	3.1
368.12396	11.9
369.13324	7.2
371.14948	7.0
373.17014	1.6
383.14874	80.9
385.16742	1.9
401.15973	100.0
419.17004	1.8
592.30731	1.4
616.27454	9.8
635.50385	1.9
638.65094	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	616.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87876	0.3
53.51026	0.3
55.01876	0.4
55.05551	0.3
69.03417	0.3
72.08150	0.7
79.05499	0.9
81.03442	3.7
83.19276	0.5
85.02895	2.3
96.44625	0.4
107.04967	11.1
117.07027	2.2
123.04421	1.7
124.05223	0.6
125.06045	0.6
129.07027	0.7
129.36752	0.4
131.04921	0.6
131.08557	2.0
133.06520	0.7
141.07031	0.5
144.05725	0.5
145.06509	7.9
149.05931	0.6
152.04733	0.7
155.07103	0.7
156.05721	0.5
158.07318	0.7
159.08061	5.8
161.05972	1.8
163.03938	1.0
167.07047	45.0
169.06468	0.6
170.07326	0.7
173.05995	27.7
175.07463	0.8
176.04756	0.6
177.05490	1.0
179.07002	0.5
180.08717	1.0
181.04860	0.5
181.08611	1.7
183.06497	0.5
187.07559	7.4
189.09135	0.7
190.06268	10.5
191.07051	0.8
193.08664	0.9
201.09142	1.0
202.06245	1.0
203.07057	2.5
204.07860	0.5
205.08617	29.3
206.07516	0.5
207.06606	0.7
207.10143	1.5
211.07651	0.7
215.06924	0.8
217.08604	32.1
218.07309	0.6
219.08047	3.2
219.10190	2.5
229.08604	4.4
231.08029	2.2
231.10248	1.7
233.09653	2.9
235.09428	3.8
245.09689	1.8
247.07516	4.8
247.09705	6.5
248.08278	5.2
249.09171	0.9
251.10674	3.1
259.07547	1.7
260.08444	0.5
261.09076	3.0
262.09918	2.2
263.07108	0.9
263.10687	6.3
264.07706	3.8
265.10727	15.2
269.08182	1.5
271.09689	5.2
273.09235	0.8
275.07114	1.8
276.07883	3.6
277.08588	1.6
279.07129	0.6
279.10159	8.4
280.10941	0.7
289.08536	0.6
290.09259	3.5
291.10101	8.7
292.07446	1.8
292.10815	0.6
293.08191	3.1
293.11426	0.6
295.09818	0.5
296.10535	1.7
299.09149	2.0
304.07355	0.7
305.08139	1.9
305.11606	0.9
307.09637	6.7
308.10428	4.8
309.11304	0.7
310.08395	0.9
311.12689	3.4
315.08646	20.8
315.12323	0.7
316.09427	0.7
318.08691	1.9
319.09674	3.9
321.07620	2.5
321.11127	1.5
322.12030	2.8
323.09265	0.9
323.12720	6.3
324.09988	1.0
325.10837	1.7
328.09454	0.8
330.10992	32.9
331.11694	3.0
335.09399	0.6
336.09839	4.4
337.10715	6.6
339.12344	4.2
341.10104	0.5
341.14066	0.6
343.11826	7.7
350.11664	2.1
351.12247	8.4
352.13080	2.8
353.10165	6.2
356.12595	3.7
368.12585	12.0
369.13339	7.8
371.14874	5.5
383.14911	65.3
385.16571	0.7
401.15982	100.0
419.17099	1.8
616.27283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93145	0.8
55.01877	1.0
60.48680	0.9
69.03434	2.2
70.06595	7.8
72.08154	5.3
75.04477	4.7
80.56082	0.9
81.03430	1.4
83.05030	1.1
84.08135	1.7
85.02914	12.1
85.09754	0.9
86.09738	3.7
87.00822	1.8
87.07975	1.1
89.06030	1.6
91.05470	4.8
93.03415	17.4
93.07013	7.0
95.04970	2.3
95.08611	1.9
97.02913	3.9
97.06557	3.8
103.05470	5.1
105.01905	1.9
105.07056	9.4
106.04177	16.5
107.04990	1.8
107.08582	1.6
109.02888	1.8
109.10160	7.1
112.11292	1.1
121.06513	29.1
123.04422	1.6
125.05996	14.1
127.03917	6.2
131.04926	4.6
133.06497	11.5
135.11700	4.8
136.06512	0.8
137.06001	1.7
139.07568	2.1
145.02921	1.8
145.04984	1.7
147.11662	1.3
148.05161	1.6
149.05991	73.8
151.07489	3.4
153.05505	1.4
153.09128	17.4
153.12749	9.3
161.05998	24.2
163.03896	9.9
163.07539	7.4
164.04184	1.0
165.05516	2.0
167.07031	6.3
171.13809	6.3
177.05482	43.0
181.08585	26.1
189.14935	1.5
191.07039	30.0
193.08614	33.0
209.08098	100.0
211.09683	3.4
220.09677	5.7
222.11232	4.0
231.04976	1.2
236.12880	0.9
387.14139	2.2
419.17712	1.3
458.24008	1.0
607.27032	1.5
616.28900	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	27.0
59.07401	18.5
60.08165	47.2
62.01067	4.3
62.43320	4.1
68.05083	5.3
70.06606	4.1
72.08163	6.0
91.05453	8.4
105.07012	5.1
120.08118	11.2
131.04959	18.7
144.08121	8.4
145.10173	20.1
157.08861	5.6
158.09717	8.5
160.07613	6.4
168.19838	5.3
173.09630	21.2
173.64481	5.8
186.09166	10.5
187.10023	5.5
200.10733	60.8
200.12326	5.6
228.10312	5.3
259.18176	21.9
279.54971	5.6
287.17612	69.0
409.17767	10.2
423.32709	4.6
615.31506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11172	3.8
52.53652	4.3
58.06604	5.9
59.07387	6.6
60.08156	32.7
91.05464	10.5
120.08087	7.6
131.04930	10.7
155.08542	6.3
157.09741	6.2
160.91330	4.8
211.07574	21.4
222.12958	6.8
259.25375	6.3
309.19476	35.6
343.80536	5.2
359.12408	5.6
408.77060	4.9
514.22272	5.5
615.31866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66430	0.5
58.06609	25.2
59.07391	15.7
60.07869	1.2
60.08171	32.1
70.06592	8.2
72.08156	1.3
84.08112	0.8
89.33368	0.5
91.05495	3.1
91.06636	0.5
103.05461	2.3
104.06216	6.2
105.07056	1.3
110.06053	3.6
112.11253	2.4
118.17442	0.8
120.08106	29.8
120.08963	1.3
122.09256	0.7
126.09118	0.7
130.06512	0.8
131.04932	16.6
132.08156	0.8
134.09682	0.9
136.07588	4.4
146.05959	2.0
148.11278	2.7
157.10355	0.7
158.09718	0.6
162.05553	0.7
165.05437	1.0
176.10777	4.9
182.08130	1.1
186.09251	0.8
188.07082	0.8
188.10770	5.6
200.10704	9.5
201.11600	3.4
202.12315	1.5
205.08673	2.3
207.14989	4.1
217.08673	2.9
222.11298	2.4
228.10118	1.0
234.11317	1.3
259.18109	5.0
309.12360	1.2
416.11542	0.9
426.28845	0.7
587.32471	4.0
615.31909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3181
Annotation	Wikstroelide H
Peak:m/z	Relative Intensity
53.45649	0.5
56.87914	0.4
58.06608	19.7
59.07393	13.4
60.08173	28.5
70.06599	4.1
71.07383	0.7
87.64138	0.4
91.05482	2.2
96.04476	0.7
98.06067	0.9
103.05463	1.1
104.06252	4.4
105.07043	2.1
110.06026	2.8
120.08114	22.5
130.06519	0.8
131.04929	12.9
132.08141	0.6
134.09671	1.9
136.07559	4.3
144.58356	0.5
146.06007	3.2
148.07581	0.5
148.11203	3.2
162.05556	0.7
165.05486	0.9
172.11235	1.0
173.09590	0.8
176.10730	2.9
182.08163	1.1
186.09148	1.0
188.07033	0.7
188.10693	4.4
198.09113	0.5
200.10689	6.6
201.09845	0.6
201.11424	3.8
202.12390	0.8
203.08087	0.5
205.08672	2.5
207.14986	3.1
217.08588	2.3
222.11078	0.7
222.12959	0.9
234.11224	2.0
259.17984	4.3
287.17371	0.6
298.30692	0.5
309.12402	0.8
433.39075	0.5
446.66037	0.5
533.59198	0.5
556.24652	2.3
587.32196	6.5
615.31812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	23.3
59.07143	0.6
59.07393	13.1
59.61581	0.6
60.08178	30.7
61.00698	0.5
66.45760	0.7
69.13058	0.6
70.06596	3.7
85.37317	0.6
91.05469	2.7
93.50456	0.7
103.05527	0.7
104.06265	6.0
105.07024	1.5
106.30020	0.7
110.06059	4.1
119.04924	0.9
120.08115	26.8
130.06621	1.0
131.04930	12.6
132.08110	1.4
134.09656	2.4
134.36839	0.6
136.07588	4.1
138.79218	0.6
146.06013	3.4
148.11215	0.9
157.10136	0.6
158.32002	0.6
159.08029	0.7
162.05460	1.0
165.05519	1.4
173.09616	1.1
176.10732	3.6
182.08240	0.8
188.10683	5.0
200.10709	9.0
201.11537	4.0
205.08644	1.0
207.14900	3.3
210.97153	0.8
217.08580	2.5
222.13011	1.1
231.04001	0.7
234.11259	1.4
259.18018	5.9
309.12396	0.8
319.90585	0.7
556.24316	2.3
577.49982	0.8
587.32391	5.8
608.17871	0.7
615.31812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33701	0.5
58.06609	21.3
59.07385	14.1
60.08172	27.5
70.06600	5.2
76.49991	0.7
91.05469	1.6
92.06271	0.6
92.17812	1.4
96.04502	0.8
103.05478	1.6
104.06255	5.7
105.07043	1.3
110.06029	3.6
120.08102	23.4
131.04933	11.5
132.05716	0.7
132.08116	0.8
134.09644	2.8
136.07570	5.7
146.06020	3.8
148.07600	1.4
148.11185	2.9
162.05559	0.9
163.07430	0.8
165.05589	1.0
174.12697	0.9
176.10730	3.1
182.01086	0.7
188.10721	4.2
200.10786	7.8
201.11420	3.3
205.08633	1.7
207.14977	2.9
217.08601	3.2
234.11253	1.5
246.11140	0.8
259.17993	3.4
286.89017	0.9
539.86841	0.7
556.24298	1.3
587.32245	4.7
615.31757	100.0
631.91760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24383	0.4
58.06594	0.5
59.99113	0.7
62.59317	0.5
64.81606	0.4
69.03385	0.6
70.06288	0.5
70.06596	7.9
72.08163	6.6
73.36631	0.5
84.04463	0.5
84.08138	1.2
86.09702	2.8
88.02211	5.7
98.05997	0.6
98.09692	0.9
110.09714	0.6
112.11227	0.8
113.10798	0.8
116.05310	19.0
116.25194	0.5
124.93207	0.5
129.10225	0.8
155.11873	1.1
163.03920	2.4
177.05493	0.7
190.08678	2.2
220.09683	2.5
246.91377	0.6
268.04553	6.8
280.04575	6.7
280.07178	0.6
282.02637	2.1
282.06241	6.2
283.07031	0.8
283.24704	0.6
308.04062	16.6
310.05725	2.3
327.08319	0.6
353.09888	0.8
354.29202	0.5
359.00473	1.3
379.11465	8.4
381.13055	0.9
382.67981	0.6
398.15735	2.2
410.15845	0.7
424.17368	2.7
436.17297	19.7
453.20078	1.2
482.87344	0.6
587.23474	6.7
615.23041	100.0
642.24445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2445
Annotation	C11829
Peak:m/z	Relative Intensity
51.43687	1.2
65.03944	2.7
70.06618	1.9
72.08161	2.4
74.95987	1.4
81.07018	1.6
93.03426	6.0
94.29028	1.6
95.04963	2.0
110.03673	2.1
111.04448	8.9
121.02859	8.3
125.05997	8.2
137.05986	3.3
143.31287	1.5
151.07556	2.8
153.05463	26.8
165.05525	1.9
167.07045	2.4
170.09560	1.8
181.04977	20.4
191.06589	1.4
199.30974	1.8
208.07237	2.3
214.83421	1.4
225.07571	8.8
226.08607	1.4
235.11220	1.5
237.09074	2.4
238.09976	1.8
240.07901	2.3
253.08583	18.4
253.12245	10.0
254.09355	3.3
267.10266	3.3
268.07181	1.4
270.08838	2.0
281.08337	3.4
281.11710	8.2
283.09586	7.1
284.10272	3.4
285.14856	2.3
295.09622	2.6
298.12079	3.5
299.12836	7.6
309.11203	10.0
310.12048	2.3
313.10690	16.4
313.14328	5.9
326.11490	2.1
327.12286	29.5
331.15280	2.2
341.13861	2.8
359.14886	100.0
361.16855	2.0
371.14853	6.2
379.13770	1.7
389.16287	3.6
484.87180	1.6
503.16705	2.4
535.19696	2.4
539.81958	1.5
549.26770	3.3
597.29364	2.4
612.48370	1.5
615.24420	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	614.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36689	1.6
51.37413	2.0
57.07085	59.3
69.07082	4.1
71.08636	51.2
73.06556	5.0
74.24379	1.8
75.63113	2.3
75.76340	1.8
83.08617	3.8
84.81417	2.1
85.10193	32.9
87.04480	4.0
89.05503	4.0
89.06036	100.0
117.09066	2.9
133.08591	29.5
139.88101	2.2
177.11226	9.7
220.59071	2.1
221.13744	2.7
271.26376	2.5
315.29099	3.1
415.25482	9.0
597.45728	59.9
614.48395	72.0
619.36835	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05056	0.3
55.84494	0.3
58.06593	0.4
59.99105	1.6
63.89846	0.3
69.83270	0.3
70.06598	4.4
72.08161	3.1
75.37270	0.3
79.98383	0.3
84.08145	1.5
86.09715	0.8
88.02218	6.8
94.08521	0.3
113.10780	0.9
116.05315	19.7
121.02857	2.1
122.03213	0.7
129.27974	0.4
140.41759	0.4
159.65646	0.4
163.03935	3.9
164.04202	0.4
165.00099	0.4
177.05482	2.5
184.97377	0.4
190.08611	0.5
195.01054	0.6
220.09671	2.1
260.32767	0.4
265.15558	1.4
266.06735	0.8
268.04590	8.1
280.04602	7.8
282.02582	2.7
282.06229	6.1
283.06839	0.8
308.04083	19.1
308.62027	1.5
310.05765	2.3
325.06815	0.5
327.08173	2.4
359.00537	1.9
379.11481	9.7
381.13062	0.6
396.14536	0.5
398.15717	0.5
410.15710	1.5
424.17200	3.8
436.17273	22.9
453.19913	1.5
470.07379	0.5
513.12427	0.5
587.23572	6.9
615.23071	100.0
617.23242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.05515	10.4
57.07087	21.9
61.02941	3.4
67.05521	9.4
69.03445	31.4
69.07075	27.1
71.04993	8.2
71.08635	20.6
73.02895	3.7
79.05515	3.3
81.03423	16.7
81.07064	24.4
83.08632	29.9
85.02914	72.9
85.10196	7.9
91.74284	1.8
93.07062	8.8
95.08626	20.3
97.02901	85.3
97.06538	9.5
97.09698	1.7
97.10191	24.6
99.04451	7.9
99.08097	2.2
101.02368	2.5
101.56628	2.1
107.08626	15.2
109.02883	24.1
109.10148	14.3
111.08087	9.9
111.11736	10.9
115.07549	3.3
121.10157	19.2
122.22741	1.9
123.11723	9.1
125.09624	9.1
125.13256	3.1
127.03927	54.1
127.04787	3.7
132.61786	2.1
135.11700	33.3
137.13257	9.9
139.11212	10.6
145.04985	26.2
149.13277	19.3
153.12733	3.4
163.14804	12.5
167.14354	2.3
169.05165	2.4
177.06073	1.9
177.16354	8.0
192.60832	2.0
219.21091	32.8
237.22159	27.6
255.23207	100.0
273.24286	42.4
381.26324	4.7
399.27396	41.1
417.28528	82.3
614.38507	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	614.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82960	0.3
53.67725	0.3
70.06562	0.4
72.08134	0.7
74.07112	0.3
134.76019	0.4
144.08092	28.7
145.08841	0.5
151.03685	0.5
158.09624	1.7
159.10289	0.5
165.09160	1.6
167.07051	9.9
170.09650	100.0
171.10426	19.8
187.12276	0.4
193.08612	2.4
201.13872	5.7
202.14661	10.0
211.09714	2.4
279.51636	0.5
556.83398	0.6
614.28998	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
70.06592	1.2
84.08154	0.3
85.08929	3.6
99.95274	0.1
100.11263	100.0
108.79887	0.1
143.79608	0.2
161.95726	0.2
168.89348	0.2
195.92989	0.2
202.96063	0.1
247.18263	0.2
258.64569	0.1
368.78760	0.2
402.23962	0.3
404.25443	15.8
409.19687	0.3
439.20871	0.2
570.31543	1.1
578.30536	1.1
596.30621	0.2
614.30750	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	614.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11862	0.2
70.06573	0.2
73.13635	0.1
85.02893	0.9
86.64835	0.2
92.17828	0.2
97.02924	0.3
98.17332	0.2
105.06990	0.2
106.48131	0.2
107.04963	0.3
114.21208	0.2
122.90915	0.2
123.04402	0.2
127.03933	0.2
137.05983	0.2
138.60826	0.2
144.08104	1.0
144.32838	0.2
147.37851	0.2
149.06000	0.4
160.52509	0.2
161.05975	0.5
164.76184	0.2
167.07031	100.0
170.09621	3.8
171.10231	0.8
172.10846	0.2
175.03918	0.3
181.08601	0.9
188.81100	0.2
193.08603	4.5
201.13890	0.8
202.14278	0.7
207.06462	1.7
211.09645	20.2
225.07542	0.4
250.13080	0.2
329.10306	0.3
330.10394	0.7
417.15408	0.3
418.15869	0.3
614.29089	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	614.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98552	0.2
70.82172	0.2
85.02927	0.8
105.11374	0.2
107.04955	0.4
111.41685	0.2
115.76234	0.2
121.06483	0.3
123.04387	0.4
131.81137	0.3
133.06535	0.3
149.06001	0.4
155.06920	0.3
161.05966	0.4
167.07040	100.0
178.25224	0.2
179.07060	0.3
181.08612	0.9
183.06569	0.7
193.08588	3.7
207.06596	0.3
211.09665	17.9
223.14156	0.2
225.07571	1.1
242.70818	0.2
299.60709	0.2
425.10410	0.2
444.85519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64665	0.5
69.03426	2.9
73.39450	0.7
80.60075	0.6
85.02901	9.3
87.04477	0.9
94.18736	0.6
97.02895	3.3
127.03942	3.2
136.07460	0.8
145.04932	1.3
145.07318	0.8
149.31300	0.8
160.07568	73.5
161.08354	4.2
170.09676	0.9
174.09105	5.5
177.05502	1.5
186.09146	43.9
187.09915	10.4
188.09473	2.8
196.49635	0.8
203.11798	8.0
204.12592	42.3
205.13371	7.9
271.18140	3.1
289.19098	10.0
296.61679	0.7
298.63000	0.7
410.15460	0.7
436.22247	0.8
451.24344	1.4
613.29669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22065	1.5
70.06589	10.9
72.08151	8.8
84.08131	4.1
85.02914	2.1
86.09689	2.1
92.55904	1.4
110.06049	12.3
119.08592	2.4
121.06407	1.7
123.04469	3.2
123.08021	1.8
131.04941	1.8
131.22997	1.9
135.88033	1.6
136.07597	4.0
137.06006	2.1
145.02798	3.2
147.04391	2.1
163.03909	27.2
165.05547	3.4
167.07062	3.8
170.09673	6.5
193.04977	10.9
201.13969	6.5
220.09669	12.8
222.11229	3.4
230.63832	1.8
231.11311	3.3
234.07651	2.3
247.10870	3.6
249.12340	2.5
250.10872	2.3
273.08646	3.0
275.10349	13.7
298.11893	3.9
333.14706	7.7
334.15613	2.1
348.17041	41.3
362.18744	2.5
364.16483	2.0
366.18109	29.4
368.19708	2.6
380.16129	8.9
384.19119	2.3
390.18198	15.2
392.16040	56.8
404.21927	2.5
407.18558	3.2
408.19186	42.2
410.17175	10.6
428.18069	4.0
439.20737	3.8
440.21027	9.3
462.81949	2.0
529.24536	4.2
547.25555	37.9
565.26611	95.1
595.28271	27.3
613.28845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77936	0.6
53.00106	0.6
65.15804	0.7
91.05486	0.9
107.04914	1.1
116.78985	0.7
117.07001	1.6
119.04962	0.9
130.65254	0.7
137.05972	4.9
144.08098	32.7
145.06485	5.0
147.04382	1.5
151.03911	1.0
153.05505	1.5
158.09703	0.9
161.05988	0.8
164.82379	0.7
167.07047	48.2
170.09657	100.0
171.10426	17.6
173.05962	13.2
181.04962	20.7
191.07080	3.2
201.13885	5.1
202.14638	11.5
205.08652	1.2
231.06621	1.0
243.36778	1.1
329.30200	0.9
385.12973	1.4
387.14108	1.0
417.15820	1.7
421.63547	0.9
426.88580	0.8
613.27148	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66962	0.4
55.05527	5.6
56.56305	0.4
69.03439	6.7
70.06600	1.1
72.08172	3.3
79.05493	2.6
81.03419	0.5
81.07059	3.4
83.83876	0.4
85.02895	2.5
89.10796	0.8
90.69106	0.5
97.02885	0.6
103.32710	0.5
105.01845	0.9
107.08637	3.8
109.02898	0.7
114.93609	0.4
116.39554	0.5
118.06548	3.7
125.09634	30.7
127.03886	2.0
132.08098	3.0
137.84145	0.6
138.39914	0.4
143.10687	13.5
144.08105	5.1
146.06018	36.7
147.04443	4.5
159.09163	4.2
160.07625	0.6
163.03839	1.9
170.05988	1.1
188.07069	100.0
189.07379	2.6
190.10942	0.6
205.09735	35.2
206.10056	0.6
212.10609	0.5
214.08667	0.6
235.14371	2.5
240.10243	0.8
251.13963	0.9
391.15979	1.8
596.94434	0.5
613.26227	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	613.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23848	1.7
56.91283	1.6
57.39725	1.7
58.68704	1.8
61.53965	1.8
68.49235	1.9
82.84140	2.1
89.99487	2.1
90.98324	1.7
144.08080	33.5
145.08856	8.2
157.08871	100.0
158.09677	3.1
159.09219	4.2
166.06888	2.1
167.07172	6.3
172.09966	4.5
173.10718	2.6
181.05051	2.7
201.13976	3.3
236.05521	7.7
291.12509	17.1
322.16837	7.7
361.11896	8.0
379.13034	20.9
424.15390	3.6
482.15921	2.5
483.17044	4.0
514.20905	23.8
528.53522	2.2
613.25397	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23033	0.6
55.76390	0.5
58.89814	0.6
70.66897	0.7
88.98070	0.7
92.18227	3.2
112.72069	0.6
120.08125	1.4
132.08151	1.5
144.06953	1.6
144.08099	38.8
145.06480	0.7
145.08879	8.7
146.09689	1.4
157.08876	63.3
158.09644	5.5
159.09239	4.0
167.07001	5.0
170.09746	1.3
172.09944	21.5
172.11269	1.3
173.10783	4.9
176.13133	0.9
181.05022	2.9
186.11598	0.9
187.12355	4.3
201.13905	4.5
218.04578	1.5
221.06873	3.9
236.05592	3.7
242.11852	0.9
246.07558	1.3
249.06367	1.4
278.54034	0.8
287.14572	0.9
291.12585	11.8
298.10922	1.0
307.14554	0.8
322.16730	16.4
332.09290	0.8
346.12640	0.7
348.08664	1.0
361.11731	6.0
362.10522	1.3
379.12924	16.7
424.15564	3.5
482.15833	1.1
493.19827	0.9
514.20923	4.3
613.25470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2295
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
56.10874	3.4
59.43365	3.1
60.95718	3.0
65.03937	16.6
85.02889	4.3
93.03389	17.2
93.77721	3.8
107.04964	4.5
110.03657	14.8
111.04474	29.4
112.86177	3.4
117.70859	3.3
121.02853	12.9
122.90757	3.1
125.05993	33.0
137.05997	6.2
144.08104	4.1
148.79173	3.5
151.07532	4.3
153.05464	100.0
159.08011	4.2
167.06960	5.9
170.09573	4.7
175.07494	3.9
181.04961	39.3
195.70753	3.8
202.53601	4.0
208.07246	5.6
225.07567	7.0
226.08226	3.7
247.09654	15.3
251.10609	4.6
253.08583	14.5
254.09535	5.0
264.07861	3.3
267.56100	3.7
269.11697	5.9
276.07513	3.5
297.11285	16.8
325.10767	54.9
339.12241	54.0
351.12366	6.3
357.13406	53.4
369.13330	4.3
387.14673	6.6
463.27670	3.6
613.24097	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	613.2283
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
54.34848	1.0
83.48545	1.2
91.05491	2.3
95.04971	1.3
103.05485	10.8
105.03351	1.5
105.06999	1.2
107.04953	4.6
109.06464	1.8
110.14414	1.2
131.04930	34.2
133.02867	1.8
133.06537	4.7
135.04422	1.1
135.08032	2.7
135.22459	1.1
137.05986	57.6
145.06508	2.6
148.05206	6.5
149.05920	2.0
151.03909	80.3
151.05023	2.7
151.07568	1.5
153.05466	5.8
155.03047	1.2
163.07544	23.9
165.05431	8.7
167.07019	10.0
171.04494	1.4
173.05960	4.9
175.07582	6.7
176.04784	1.3
177.09027	1.2
180.07806	2.2
181.04944	57.6
185.20540	1.0
187.07565	2.3
191.07028	100.0
193.04996	2.6
193.08638	1.5
205.08549	4.4
207.06543	2.8
207.10109	1.6
208.07344	6.4
209.08043	2.1
217.08569	1.7
225.07530	19.2
226.08417	1.9
233.08055	2.0
235.09631	1.5
263.09183	13.5
263.75861	1.3
309.10925	1.7
314.19843	1.1
352.99646	1.4
355.11856	5.7
369.13373	2.0
387.14389	39.2
581.20239	1.6
613.23920	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
56.00591	0.7
59.28674	0.6
59.49341	0.7
68.99789	1.5
70.06602	1.0
81.03429	0.9
85.02917	4.7
97.02925	2.8
103.03932	1.2
109.02865	0.8
119.04933	1.1
121.02868	100.0
123.04430	0.9
145.04976	1.1
147.04388	0.9
151.03911	3.0
153.01869	0.9
157.09392	0.7
163.03899	23.7
165.01860	1.7
173.06032	1.1
175.03922	2.9
177.01834	1.7
177.05495	3.0
178.59186	0.6
181.04994	1.7
187.03880	1.1
189.01802	1.1
189.05447	2.9
191.03444	1.6
193.04970	1.3
195.02890	4.8
201.05501	1.0
203.03320	1.7
205.04951	6.9
207.02927	9.8
213.05499	1.1
215.03352	1.4
217.04993	8.2
219.02866	11.0
221.04503	1.2
225.03903	1.7
229.04985	4.5
231.02870	14.5
231.06509	1.6
233.04465	1.6
235.05992	1.6
237.03938	5.6
241.05014	3.2
243.02917	5.0
243.06522	1.8
245.04388	1.2
247.06012	5.5
249.03978	4.3
255.02859	1.8
257.04489	3.3
259.06049	6.8
261.03937	23.0
265.07071	1.7
269.04401	1.1
271.05960	8.1
273.03946	11.6
279.04974	3.7
283.06055	3.2
285.03986	11.6
287.05569	0.8
291.04935	8.8
294.05246	1.1
295.05957	11.0
297.04004	3.1
299.05536	1.5
301.07224	1.4
303.04950	5.5
307.06006	4.1
313.07059	4.3
315.04727	2.1
316.79846	0.9
321.05978	2.6
325.06995	8.2
327.05093	7.2
331.08139	1.0
335.09149	1.2
337.07050	7.8
339.07123	4.3
345.06064	3.5
349.07126	4.4
351.08688	1.0
355.08136	3.9
361.07028	1.2
363.01715	0.8
363.07162	3.9
367.08359	1.2
379.08209	4.7
381.02670	1.1
387.07278	0.9
391.08051	1.6
393.08636	1.1
397.09601	0.9
405.08206	1.6
409.09116	4.6
421.09216	1.5
423.09235	4.1
427.09946	3.1
433.09692	1.3
439.10260	3.7
441.10364	8.7
457.11285	15.8
459.11380	0.9
463.10358	3.0
475.12445	15.6
481.11472	5.2
493.11984	1.3
499.12213	6.4
511.12354	13.4
523.12390	3.3
541.13519	8.2
559.14661	13.1
577.15613	12.2
595.16620	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	612.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59249	1.9
52.82020	2.1
53.10097	2.1
55.05513	2.7
61.02934	4.3
67.05498	9.4
69.03429	11.8
69.07053	9.7
69.20477	2.1
72.08169	2.6
73.02927	2.5
78.49770	2.1
79.05473	4.7
81.06611	2.7
81.07043	18.7
81.40799	2.4
82.88674	2.0
83.04999	3.9
85.02414	4.7
85.02907	100.0
91.03964	5.5
91.05451	3.0
93.07018	13.2
95.01289	4.9
95.04959	16.5
95.08616	25.4
97.02894	28.4
97.06554	2.5
99.04457	3.7
105.07044	25.9
107.04958	11.5
107.08605	23.7
109.02865	3.6
109.06485	5.1
109.10147	14.7
113.02349	3.8
115.72317	2.4
117.07043	2.0
119.08591	37.2
121.10133	14.0
123.08048	9.8
127.03915	32.6
131.08575	15.3
133.10127	40.0
135.04480	2.4
135.11716	13.0
137.09650	5.3
141.01836	86.7
143.08617	3.7
145.04977	48.1
145.10118	25.0
147.08070	13.1
147.11681	5.3
149.13261	4.2
157.10106	2.8
159.02859	12.5
159.11729	5.3
161.09610	9.6
161.13252	33.4
163.05988	27.4
163.11163	10.5
165.09084	22.4
170.10970	4.8
173.13295	22.5
175.07532	9.3
175.14848	15.8
179.05486	3.8
185.13271	22.8
187.14812	4.6
203.14304	54.4
205.15929	4.1
221.09650	4.4
221.15344	40.6
281.11618	3.5
285.05981	2.5
293.11771	3.5
321.08163	43.4
339.09280	23.2
350.89963	2.7
473.17859	4.4
503.17694	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	611.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13020	2.2
57.43094	2.0
72.09892	2.2
91.97399	2.2
128.72910	2.4
213.08064	10.8
216.52548	2.4
239.09644	3.6
243.09050	39.7
245.10638	2.5
249.94740	2.2
255.09023	4.9
257.10565	44.9
261.10104	22.1
273.10074	25.6
275.11630	18.4
307.15741	9.8
318.43973	3.5
325.16870	35.6
343.17950	53.6
361.19421	3.0
611.38409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17305	0.8
53.03959	1.9
57.03423	0.8
61.02932	1.5
69.03436	11.7
70.86829	0.8
71.05001	1.1
73.02961	3.0
75.11090	0.8
77.05360	0.9
79.05525	1.6
81.03423	8.9
85.02911	50.2
87.00835	26.1
90.57999	0.9
91.05492	4.7
91.61379	0.9
93.07052	100.0
95.04972	3.7
96.35621	1.0
97.02898	19.3
99.04464	6.7
102.64679	0.9
105.01879	46.4
105.07030	2.0
109.02892	23.1
111.08051	0.9
121.10152	53.0
127.03920	46.7
129.01851	1.2
145.04956	11.6
147.02808	1.0
149.09624	29.8
159.02907	6.1
159.66760	1.0
167.10674	28.3
167.12054	1.6
173.68878	0.9
182.00636	0.9
189.04022	1.1
213.03984	5.9
231.04982	26.0
249.06070	18.5
253.07341	1.0
257.11884	1.1
271.08026	1.0
357.41022	1.0
373.91211	1.0
375.09143	1.3
379.13895	3.7
393.10196	12.0
397.14703	1.4
409.90140	0.9
411.11453	2.1
446.15173	1.4
604.84735	1.3
612.24384	1.6
616.51324	1.2
638.70441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20459	6.3
57.02215	6.9
57.56747	6.4
58.19555	6.1
67.05523	7.8
67.59927	6.9
69.03444	15.8
69.07059	9.1
81.03414	10.1
81.07058	100.0
85.02905	50.3
85.06559	7.1
87.00835	13.1
93.07065	13.0
95.08611	30.7
96.95759	6.9
97.02900	14.6
98.09142	9.0
103.18134	7.4
105.01865	35.5
107.08579	11.3
109.02867	40.0
115.38168	8.4
121.10199	11.3
127.03972	54.2
135.66722	7.2
137.13240	40.3
144.08107	13.5
149.13269	14.4
167.06967	11.2
170.09683	16.0
209.18486	7.7
269.12738	9.0
291.26776	16.5
295.04007	7.4
385.18613	9.7
403.19540	53.6
512.51428	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	611.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07095	0.9
69.03457	1.1
69.07094	2.0
70.06609	2.2
72.08173	1.7
73.06432	1.0
81.07069	4.9
85.06573	1.5
93.07065	1.8
95.08633	4.0
99.04474	1.2
107.08659	1.0
107.26413	1.0
109.10169	3.5
110.06055	1.7
113.76173	0.9
119.08636	1.2
121.10184	1.1
122.06090	1.2
123.11723	1.9
125.09625	0.9
133.10117	1.2
135.11708	1.5
149.29292	0.9
151.08368	1.1
163.03984	3.6
167.07115	1.9
170.09697	1.4
171.10268	1.0
173.13518	0.9
202.69772	1.0
248.55554	1.1
261.08670	3.7
285.12506	1.7
287.10446	5.5
291.26862	1.5
294.17093	1.9
327.28989	1.7
364.20316	3.4
382.21268	5.2
394.21500	6.4
406.17200	1.1
408.19147	43.0
412.22284	7.2
426.20453	4.8
438.20236	100.0
456.21323	13.3
563.28961	2.2
575.28900	1.6
593.29779	71.6
611.30951	49.8
627.63446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01947	0.5
62.58730	0.6
110.06049	3.4
111.73734	0.5
122.06052	0.8
136.07593	1.3
138.09154	0.8
140.07104	1.2
153.98138	0.5
154.08644	0.9
164.07025	2.5
164.10545	0.6
182.08131	1.0
184.73842	0.6
217.09706	3.4
235.10699	2.6
241.13223	0.8
243.11336	3.9
245.09268	2.2
245.57396	0.6
261.08716	25.9
261.12091	1.9
271.10730	5.1
284.11472	1.4
285.12405	8.7
287.07086	0.7
287.10278	20.5
287.13608	0.7
294.16986	0.9
364.12811	1.0
364.20123	4.8
380.19736	2.4
382.21152	6.4
391.16415	4.2
394.21460	2.7
398.17209	3.2
402.17938	0.8
407.18216	0.8
408.19199	72.8
412.22372	2.4
416.18329	4.7
420.19061	2.4
424.18573	1.2
438.20258	33.5
440.22144	0.6
442.19669	3.5
545.27686	1.0
563.28717	5.9
575.28577	3.4
593.29749	100.0
611.30255	2.4
625.52332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46261	0.6
74.05050	0.9
83.43468	0.8
105.65919	0.9
128.34497	1.2
137.05959	1.4
151.03870	1.4
167.07059	11.8
170.09747	1.3
173.05894	1.0
181.04993	2.1
193.08554	1.2
196.13322	1.1
224.30313	1.0
261.08694	31.9
287.10248	26.4
364.12762	1.9
394.20987	1.2
395.44183	1.0
398.16888	3.5
408.19205	47.7
412.22333	1.1
424.18475	1.9
438.20239	100.0
456.21259	3.7
575.28650	78.0
593.21027	1.5
593.29675	12.3
611.20953	2.0
611.29803	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	611.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03239	0.6
73.38031	0.5
85.02909	0.7
87.00840	0.8
89.99814	0.6
92.17924	0.6
110.06039	6.6
122.06064	4.6
136.07582	3.7
137.05988	4.0
138.09134	2.5
140.07095	6.3
154.08643	2.6
163.03932	1.3
164.07088	4.5
169.96971	0.7
178.12329	0.9
182.08118	5.8
196.13354	0.6
217.09732	7.8
218.07970	0.6
235.10725	6.4
243.11296	17.6
244.09711	1.1
261.08728	63.1
261.12305	15.4
262.10815	0.6
271.10837	1.1
287.05511	48.4
287.10284	100.0
327.15927	0.8
358.17529	0.6
364.20306	0.9
380.16113	1.0
382.17368	2.2
382.21552	1.2
398.17230	3.9
408.19318	17.6
416.18164	25.0
424.18533	8.1
438.20203	3.1
442.19717	49.3
449.10797	12.8
563.28796	6.7
566.16376	0.7
575.28088	0.9
576.60645	0.6
581.29187	2.8
593.29749	43.0
611.15735	3.3
611.30957	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	611.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.4
67.05496	0.8
69.07064	0.7
71.04989	0.4
72.08146	0.4
81.07071	6.6
85.02907	0.7
93.07021	0.6
95.08622	2.8
96.52627	0.4
97.10171	0.4
107.08601	0.8
109.10152	0.6
110.12525	0.5
111.11728	0.4
118.42750	0.4
121.10109	0.6
122.06043	0.7
123.11691	0.6
127.03935	0.6
135.11716	0.5
137.13283	2.9
140.34546	0.5
151.11189	0.7
155.14328	1.7
164.07059	0.8
165.91028	0.4
167.07039	0.7
196.13341	1.9
235.10648	0.4
261.08701	28.5
271.10855	4.2
277.08167	0.9
282.72269	0.4
284.11401	0.6
285.12347	2.1
287.10272	27.9
291.26883	0.8
307.57196	0.4
364.12906	3.3
364.20270	1.5
366.14539	0.6
379.15100	0.7
380.19754	1.0
382.21396	0.8
391.16498	1.7
393.96643	0.4
394.21130	1.9
398.17093	0.8
406.17810	0.6
408.19196	70.7
412.22485	1.9
420.19418	0.6
424.18518	1.6
426.20157	2.3
438.20245	100.0
456.21243	6.7
474.22739	1.4
545.27222	0.7
575.28668	78.7
593.29773	22.7
611.22064	0.8
611.30853	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63698	0.4
85.02883	2.0
96.43371	0.4
115.72331	0.5
136.99545	0.5
144.08093	41.0
145.08867	1.9
155.48875	0.5
158.09631	1.2
170.09651	42.5
171.10428	11.0
173.10771	1.0
187.12279	1.8
188.13095	58.1
205.55360	0.7
224.10718	0.7
243.18575	1.9
269.16672	3.5
270.14804	3.6
287.17551	100.0
341.06738	1.1
349.57761	0.5
357.88016	0.5
607.01227	0.5
611.28143	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47976	0.2
69.03419	0.5
84.42711	0.2
85.02905	3.4
87.14771	0.2
96.39784	0.2
96.54331	0.2
97.02880	0.6
110.58832	0.2
121.38078	0.2
122.06464	0.2
127.03883	1.1
127.74329	0.2
136.01091	0.3
141.01788	1.0
144.08084	40.6
145.08882	2.7
148.07521	0.5
158.09656	2.8
165.80925	0.2
170.09641	43.4
171.10416	10.8
173.10703	1.3
174.11557	0.3
186.09164	0.4
187.12265	1.9
188.13081	60.9
198.09203	0.3
216.10184	1.1
224.10735	2.3
226.15903	0.4
242.11703	2.2
243.18529	2.0
244.13260	0.3
252.13591	0.4
253.46103	0.3
269.16486	3.9
270.14853	1.9
272.15210	0.3
273.15924	1.2
287.17526	100.0
435.21051	0.9
611.28113	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34515	0.5
55.01854	0.5
57.03415	2.9
58.06565	2.2
61.02935	4.3
69.03433	12.9
71.01329	0.6
71.04971	2.2
72.08122	0.5
73.02901	1.6
77.41333	0.4
81.03422	6.0
85.02908	70.9
87.04441	1.7
91.03921	2.6
92.17683	0.5
97.02897	21.5
99.04475	4.7
100.96051	0.4
109.02890	10.3
115.03892	0.7
127.03069	0.8
127.03919	16.4
131.06316	1.1
131.07304	28.8
132.08041	2.4
144.08086	9.6
145.04962	11.9
145.08864	9.0
152.28508	0.5
157.07948	0.4
157.08881	7.3
158.09633	1.2
163.05966	1.0
170.09637	1.7
182.09651	2.7
183.10413	6.5
184.11174	6.4
188.13150	0.6
195.10463	2.3
197.08377	8.3
210.11197	0.6
210.12804	11.1
211.13611	0.8
212.10713	27.1
212.14282	2.5
226.12366	1.0
230.11754	90.5
238.12166	1.9
244.13286	8.1
256.13309	100.0
272.12805	0.6
287.17529	38.7
325.11383	0.6
356.15100	0.9
611.28119	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70425	0.6
53.96633	0.6
57.03434	0.7
58.06598	1.4
61.02927	0.8
63.90538	0.5
69.02831	0.5
69.03440	4.7
71.04961	0.8
73.02905	0.8
73.97754	0.5
81.03399	1.4
82.69903	0.7
85.02903	9.3
95.87754	0.6
97.02891	9.2
97.94725	0.6
99.04449	2.9
109.02847	1.1
127.03922	2.8
131.07303	6.8
144.08083	17.7
145.08842	5.2
155.44905	0.7
157.08899	5.9
157.10045	0.6
158.09674	2.9
170.09622	0.7
172.26059	0.7
181.08884	3.5
182.09630	7.6
183.10451	6.0
184.11197	16.9
194.09731	1.2
195.10457	3.0
196.11237	3.1
197.08369	25.0
198.12845	3.0
199.10056	0.7
208.11221	1.2
210.12770	21.0
211.09937	1.2
212.10704	100.0
220.11432	1.0
224.10805	0.7
226.12247	9.3
230.11743	11.3
238.12238	19.5
244.13446	0.8
254.11755	2.7
256.13300	22.3
340.15628	0.9
356.14951	5.1
358.16583	1.1
374.15979	26.3
380.21655	0.6
388.17703	1.3
388.22852	0.6
400.17548	15.5
418.18820	4.9
496.73700	0.8
533.04517	0.7
580.23621	2.9
582.09082	0.8
611.28119	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	611.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96585	1.1
53.92427	0.9
58.06600	0.9
59.43369	0.9
69.03422	4.6
72.08147	2.2
81.03414	1.2
83.96629	1.2
85.02908	10.3
91.00725	1.3
92.17826	1.4
97.02912	11.6
99.04449	1.6
109.02880	1.2
127.03951	2.2
129.41673	1.1
131.07318	6.6
137.53275	1.1
144.08096	19.0
145.08855	6.6
157.08888	7.7
158.09631	2.4
170.09557	1.7
181.08875	1.4
182.09698	6.1
183.10464	5.0
184.11226	17.1
195.10419	5.0
196.11238	1.7
197.08356	23.9
198.12747	1.7
210.12752	21.5
211.09914	1.4
212.10707	100.0
226.12254	13.1
230.11775	11.1
238.12280	20.1
254.11842	1.8
256.13275	23.1
266.38107	1.1
356.14682	4.1
374.15988	23.7
400.17511	16.2
418.18854	4.7
580.23517	4.4
611.28101	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21188	1.0
58.06593	1.3
61.02905	1.1
69.03429	1.6
81.03418	1.9
85.02903	7.5
87.04489	1.3
97.02886	2.1
131.07327	6.2
144.08095	15.1
145.08873	5.0
157.08810	4.1
158.09662	2.1
173.08437	1.1
181.08896	4.5
182.09662	6.7
183.10417	4.4
184.11226	13.8
195.10484	2.1
196.11310	1.4
197.08362	20.0
198.12811	6.1
210.12775	23.2
211.09962	4.5
212.10710	100.0
224.10786	2.6
226.12257	16.0
230.11778	6.8
236.10591	2.6
238.12265	30.5
254.11708	7.4
256.13406	9.2
266.87668	1.0
280.13388	1.5
340.15894	1.3
356.14960	17.6
358.16434	4.9
374.15994	9.9
392.17386	1.7
400.17462	9.8
418.18564	9.6
421.53171	1.1
485.83481	1.4
563.63104	1.2
580.23718	1.7
611.28101	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
58.06591	2.3
69.03430	4.0
70.06565	0.6
71.05006	0.8
72.08161	2.3
79.83234	0.6
81.03408	1.2
83.81183	0.5
85.02912	6.7
87.04469	0.8
97.02895	9.3
99.04461	3.0
101.68598	0.5
109.02895	0.7
127.03969	1.9
131.04926	1.0
131.07324	2.5
144.08092	64.9
145.05003	1.8
145.08875	4.6
157.08932	2.2
158.09677	3.0
160.39992	0.6
163.03850	0.8
170.09648	48.2
171.10425	9.9
173.10776	1.2
181.04868	0.6
181.08710	1.0
182.09676	3.3
183.10417	3.8
184.11223	6.4
187.09598	1.0
187.12343	4.4
188.13086	19.8
194.09743	0.7
196.11243	1.2
197.08348	9.3
198.09229	0.7
210.12767	12.2
212.10706	42.4
218.14168	0.6
224.10728	0.7
226.12238	3.9
230.11746	7.5
238.12256	8.0
256.13293	15.8
269.16464	3.6
287.17621	2.4
329.10349	0.7
357.04251	0.8
374.15936	10.8
400.17563	8.8
400.77197	0.7
415.03360	2.6
418.18518	2.1
419.04388	1.3
431.21548	2.1
449.23178	3.1
580.23859	2.1
611.28131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08054	0.6
54.93573	0.6
55.01879	1.1
57.03431	0.8
59.77274	0.6
61.02933	2.8
63.62583	0.7
69.03432	5.8
75.19554	0.6
81.03429	1.7
81.95094	0.7
85.02420	1.3
85.02914	32.3
91.03957	1.0
97.02890	10.3
99.04468	4.0
109.02881	4.9
127.03930	7.2
131.07318	11.0
132.08089	1.7
144.08113	4.4
145.04955	5.3
145.08862	7.4
156.06731	0.7
157.08865	14.6
170.09674	0.8
183.10461	3.8
184.11234	5.6
195.10464	1.8
197.08376	7.4
210.12785	16.0
212.10715	41.3
212.14363	3.4
226.12294	6.1
230.11766	76.6
238.12343	2.9
244.13321	9.6
256.13321	100.0
287.17557	36.2
544.21655	0.8
577.45831	0.9
611.28137	63.4
627.20490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10649	0.9
58.56367	1.1
59.43171	1.1
62.85036	1.2
64.16434	1.1
70.06568	5.2
72.08147	1.9
73.25385	1.1
84.08089	1.1
110.06030	14.8
121.06451	1.4
122.06001	2.7
123.08070	1.3
132.35095	1.4
136.05038	1.2
136.07596	13.3
137.05919	1.5
140.07050	5.6
154.08656	5.5
163.03880	7.5
164.07082	9.5
182.08067	7.9
217.09761	1.8
220.09789	4.2
235.10678	4.6
243.11330	10.6
243.13379	1.3
261.06171	1.8
261.08688	29.7
261.12354	8.8
270.08728	1.9
272.13873	2.2
287.10284	52.8
288.13339	5.6
298.11826	7.4
314.11292	2.4
336.17194	9.0
346.15341	4.9
354.18069	25.1
364.16574	24.9
366.18124	1.7
380.16037	40.4
382.17603	88.4
388.16711	8.7
390.14429	14.9
392.16095	4.1
399.27377	1.3
406.17725	19.0
408.15109	27.4
408.19226	4.1
416.18234	14.1
424.18579	6.1
426.16620	12.4
431.35403	1.4
442.19812	22.5
527.22717	2.0
535.25006	1.6
545.24030	29.3
546.95746	1.5
563.25012	100.0
593.29846	17.9
611.27014	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	611.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54852	0.3
67.05492	0.3
81.06296	0.3
82.78168	0.3
84.04494	1.3
84.50989	0.3
92.18364	0.5
105.07040	5.2
122.09624	2.4
132.36398	0.3
133.06480	0.6
141.05461	0.4
151.03908	100.0
151.04941	4.2
161.05945	0.5
167.07034	33.6
181.08490	0.5
187.12318	1.8
188.10774	1.1
193.08575	2.3
205.13335	5.9
211.09680	1.6
233.12846	15.1
343.41110	0.4
357.41199	0.3
361.12915	6.4
379.13895	2.8
593.24841	1.5
595.62708	0.3
611.25983	10.9
626.40771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57204	0.3
56.04333	0.3
57.81683	0.3
63.80080	0.3
65.03944	0.5
67.05505	0.4
72.08152	0.4
82.23798	0.3
84.04503	1.6
92.83746	0.3
105.07027	4.8
107.04998	0.4
122.09668	2.0
133.06572	0.6
141.05453	0.7
151.03909	100.0
151.04935	4.1
153.97717	0.4
161.05954	1.5
167.07040	33.5
187.12357	1.8
188.10742	1.4
193.08646	2.6
205.13373	5.8
211.09679	2.1
233.12840	15.7
234.11327	0.6
361.12814	4.9
379.13876	3.2
593.24695	0.8
611.25934	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	611.2133
Annotation	chlorophyll c1
Peak:m/z	Relative Intensity
55.01866	3.9
56.08704	4.0
56.90437	4.3
71.66368	4.0
75.27963	4.1
93.03405	8.6
101.97859	4.3
102.79992	4.5
109.06463	5.4
110.03658	8.1
111.04452	10.4
121.02843	10.6
125.05981	22.0
133.02840	7.4
135.94939	5.0
137.05971	8.7
153.05444	79.7
165.05461	6.3
167.07053	5.1
180.07899	7.0
181.04962	59.3
181.63596	5.8
200.09834	4.8
202.59213	4.8
208.07254	6.9
216.72702	4.5
225.07639	23.3
244.62003	4.6
245.08150	5.9
252.07607	5.8
260.47754	4.4
263.06873	6.4
267.10059	15.5
280.07324	7.4
295.09668	19.7
296.10349	6.3
316.23727	5.3
323.09094	53.9
355.11737	100.0
367.11624	6.8
385.12750	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	611.1617
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
51.55238	1.3
56.00496	1.5
56.89247	1.3
57.03436	1.5
59.57083	1.4
69.03432	2.0
70.06584	2.6
72.08165	2.8
78.81523	1.6
79.29509	1.8
85.02901	8.1
93.07075	3.2
98.06059	11.7
103.03938	2.5
125.07117	3.4
137.02359	6.6
143.08177	3.8
146.01707	1.7
157.10098	1.7
171.11748	9.2
177.05426	1.6
185.13231	2.7
190.41875	1.7
213.12848	12.7
219.02940	2.1
230.15536	2.4
250.92224	2.0
310.04761	10.1
311.05527	52.2
323.05505	37.6
324.06293	3.4
325.06985	7.4
327.20688	4.1
329.06461	7.0
337.07095	13.4
341.06561	100.0
345.07831	2.6
345.21820	23.9
349.07101	3.5
351.08765	10.9
353.06573	78.3
363.08731	13.3
363.22348	1.9
365.06543	40.3
365.10724	2.5
367.08182	25.4
371.07492	12.2
377.06461	17.1
379.08188	4.2
381.09543	18.1
383.07788	2.0
389.06464	3.5
391.08121	12.3
395.07520	40.2
401.06570	2.4
405.09744	2.6
407.07642	21.7
409.08997	3.1
410.18286	2.1
417.10068	3.3
419.07657	20.1
425.08670	21.8
431.07809	3.4
437.08731	15.6
443.09619	8.5
455.09604	11.0
473.10825	73.5
479.09766	2.0
491.11850	22.9
497.10657	9.5
515.11957	10.2
527.11859	20.4
539.11902	13.5
545.12878	15.2
549.28271	4.1
557.12897	20.8
567.29431	6.5
575.13922	33.2
593.15009	54.9
611.16003	39.8
611.27979	95.6
626.73071	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	610.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05976	0.8
52.12400	0.7
67.53383	0.8
70.85065	1.0
72.08160	1.5
86.09718	1.3
87.60570	0.8
92.17783	1.1
92.20351	0.9
100.07629	6.5
111.76114	1.0
126.12786	28.3
130.06644	1.0
154.12280	1.0
161.15585	1.0
170.09570	1.2
171.14958	1.6
224.21280	2.3
242.22240	12.6
249.05615	1.8
250.01335	1.0
250.10843	0.9
250.43613	1.0
266.05771	1.2
278.05890	1.7
281.08151	1.7
287.49448	0.9
293.08017	11.8
294.05368	5.7
305.04715	1.5
309.07556	43.0
319.06015	2.1
337.07050	100.0
351.55640	1.0
610.31232	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	610.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89088	0.3
53.41553	0.3
59.99105	0.4
67.18829	0.3
72.08152	1.6
78.39133	0.4
88.02214	1.6
97.06539	0.5
116.05309	4.7
135.28941	0.4
140.69073	0.4
187.04890	0.7
201.13924	0.5
211.04881	0.8
219.25165	0.4
239.04330	54.7
240.05058	10.2
240.07175	0.6
242.03108	3.5
253.05894	0.6
253.49634	0.5
265.05951	0.9
267.03830	7.2
268.04593	28.6
269.05399	2.0
282.06128	5.9
296.04160	4.5
297.05057	1.8
308.07715	0.4
310.05640	14.4
310.09128	0.5
311.06485	2.5
312.03610	5.2
312.07043	0.8
326.05054	0.6
338.04996	0.7
340.03046	6.2
349.04068	0.4
354.04810	0.8
372.05685	23.3
400.05179	18.1
488.11972	2.4
490.13803	0.9
502.13641	5.3
520.14777	2.3
532.11041	0.6
550.12103	0.7
592.13208	0.6
610.14117	100.0
622.33472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03347	1.2
55.05511	4.4
57.03440	1.1
57.07077	2.4
59.04999	1.2
61.02920	1.2
61.15820	0.9
67.05502	4.9
69.03431	5.4
69.07076	31.2
71.05004	1.7
72.08132	1.1
73.06589	1.7
73.22222	1.1
79.05500	6.4
81.03416	2.5
81.07068	45.8
81.42909	1.0
83.04972	1.5
83.08627	6.0
85.02914	10.4
85.06547	1.8
87.00851	2.6
93.07050	23.5
95.03139	1.1
95.08616	34.3
97.02881	6.2
97.06527	5.1
99.04460	1.4
105.01825	1.8
105.06992	2.7
107.08596	10.0
109.02871	10.3
109.10172	38.5
111.08083	4.4
111.11736	22.0
119.08589	1.9
121.10151	100.0
127.03925	11.7
127.11167	4.5
133.10217	1.3
135.11705	17.3
137.06085	1.1
137.13249	7.8
139.11189	33.3
139.12263	1.6
139.62381	1.1
145.10164	1.9
147.11710	1.7
149.13321	1.2
151.14908	1.2
153.12758	23.4
157.12230	29.6
159.02858	1.3
163.11153	1.4
164.07083	2.8
171.13826	6.2
177.05354	1.1
178.74971	1.2
183.11542	1.1
187.16992	1.3
224.64868	1.1
235.10757	2.0
261.08728	15.1
261.12302	1.8
277.08136	8.7
287.10318	24.4
289.25378	1.6
295.26321	10.6
305.11490	1.2
307.26294	31.3
325.27420	38.3
343.28571	4.0
348.12827	2.5
406.17654	2.7
414.16589	1.9
419.18802	1.2
424.18750	1.5
454.19424	2.1
456.21561	9.7
493.31357	1.9
532.51105	1.3
555.31659	1.9
573.26697	2.7
591.27802	9.6
609.21704	3.7
609.28619	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	609.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91197	0.8
55.96976	0.8
59.29584	0.8
70.06574	1.0
72.08147	1.1
81.07043	1.7
85.02904	1.7
93.07061	1.1
110.09686	2.0
113.34954	0.9
117.10088	1.0
121.10139	1.2
122.09663	0.9
124.07620	1.4
137.05988	1.0
138.09146	5.7
144.08052	1.1
151.11211	2.2
163.03976	1.6
164.07028	1.8
166.08640	12.4
178.12392	1.4
258.11301	4.3
259.06940	1.5
261.08759	1.6
277.08188	44.1
287.10352	5.2
301.12033	4.5
314.15118	2.0
350.14835	1.4
353.18759	1.4
362.18674	4.8
363.17050	2.2
364.16226	1.5
365.18921	1.4
377.13992	1.0
378.18063	6.5
380.19739	12.8
381.17987	9.7
390.18094	3.9
392.19681	4.4
406.17606	62.0
408.19278	4.0
409.17490	10.0
410.20786	1.9
414.16574	13.1
422.20828	1.3
424.18661	11.8
426.19983	1.8
436.18750	20.6
454.19739	10.2
543.26080	4.3
561.27142	10.9
573.27008	4.5
591.28156	47.9
609.29193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94081	1.0
54.82488	1.2
59.88426	1.0
70.06607	2.6
76.42619	1.2
81.07066	4.8
85.02911	1.4
95.08591	1.8
107.08603	1.3
122.09800	1.1
138.09142	2.3
144.08047	1.6
150.09123	1.3
151.11214	2.7
163.03848	2.4
170.09682	6.3
178.12263	2.1
196.13356	2.5
233.09114	1.6
235.10847	2.6
261.08618	1.9
261.12323	6.2
277.08179	100.0
287.10214	2.5
362.18607	2.1
378.18130	6.4
380.19818	11.3
382.21344	6.9
390.18469	1.9
391.15289	1.8
398.20767	4.8
406.17615	51.1
408.19073	2.4
414.16574	28.5
418.17719	5.1
424.18597	22.6
436.18616	5.1
454.19727	6.9
456.91479	1.3
462.91672	1.3
543.26123	4.4
561.26917	12.5
573.27234	2.1
591.28180	69.2
609.28729	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	2.1
69.07063	2.5
77.49936	1.5
79.05515	2.0
81.07082	2.8
85.02898	3.9
92.58311	1.8
93.07062	2.7
95.08601	7.0
97.06541	2.3
109.10173	2.5
110.09684	2.3
121.10124	1.8
135.11726	2.2
136.07590	1.7
138.09201	10.0
147.11691	2.0
149.13354	1.9
154.99593	1.6
161.13298	7.7
164.10741	2.3
166.08641	20.8
170.09688	2.0
178.12402	2.0
192.10181	1.8
214.23744	1.7
233.09286	2.3
242.15311	1.6
255.21269	8.7
258.11484	7.5
261.08813	2.9
277.08206	76.8
287.10425	8.8
289.11996	2.0
301.12003	6.5
314.15204	3.1
325.18582	1.7
339.74683	1.8
363.17065	6.8
378.17932	5.9
380.19778	6.6
381.18076	18.4
382.21860	2.0
391.16339	2.2
398.20746	3.1
406.17557	32.6
408.19470	3.1
409.17575	16.3
414.16483	16.6
424.18707	11.7
426.20184	3.4
435.27634	12.8
436.18915	8.5
452.18451	3.9
454.19852	15.4
561.27148	2.6
573.27014	3.9
591.28131	63.4
609.29456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28218	0.4
53.03238	0.4
69.03441	0.7
69.41016	0.4
70.06593	0.6
76.02214	1.0
76.91132	0.4
93.49088	0.4
106.63522	0.5
107.08613	0.7
123.11645	0.8
133.10158	0.6
151.11171	2.6
167.07040	0.7
170.09631	2.3
171.10071	0.8
178.12274	0.5
196.13344	8.8
203.14905	0.4
220.44528	0.4
233.09241	2.3
259.07199	2.4
259.14383	0.9
277.08191	100.0
285.12302	2.5
308.08948	1.1
309.09241	0.6
340.49884	0.5
406.17603	0.8
414.16608	46.7
418.18008	0.4
454.19501	0.6
456.21390	0.6
557.37366	0.6
561.27185	0.7
591.28381	3.8
609.28802	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	609.2811
Annotation	Reserpine
Peak:m/z	Relative Intensity
53.48753	0.1
58.06589	0.9
74.63226	0.1
75.89342	0.1
121.91122	0.2
144.08090	28.2
145.08873	1.2
158.09668	1.3
159.10481	0.4
164.07214	0.2
166.08699	0.3
170.09645	100.0
171.10420	22.2
172.11176	0.2
174.96906	0.4
183.71284	0.2
186.11389	0.3
187.12332	1.1
201.13876	3.8
202.14641	11.1
235.87695	0.2
301.11765	0.4
341.32971	0.2
360.39099	0.2
591.27509	0.4
609.28101	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44028	0.1
58.06594	1.0
63.49901	0.2
63.50266	0.2
70.06586	0.3
72.08144	0.2
81.07057	0.4
81.99641	0.2
84.66630	0.2
87.08057	0.2
94.12142	0.2
108.82838	0.2
116.12824	0.2
130.90334	0.2
144.08102	29.6
145.08899	1.1
158.09680	1.7
159.10468	0.2
161.13245	0.4
170.09659	100.0
171.10437	20.0
172.11205	0.3
186.11653	0.2
187.12325	0.9
201.13889	4.9
202.14674	10.0
255.21191	0.3
277.08173	0.3
332.77353	0.2
341.93393	0.2
435.27646	1.2
609.28137	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2815
Annotation	Reserpine
Peak:m/z	Relative Intensity
50.66618	0.2
50.68007	0.2
58.06591	0.5
60.56909	0.3
63.17890	0.2
91.54868	0.3
112.77634	0.3
132.33096	0.3
135.70319	0.3
138.91467	0.3
144.08092	27.1
145.08858	1.2
158.09666	1.4
159.10378	0.5
170.09647	100.0
171.10426	19.2
172.11275	0.3
187.12234	0.7
187.30739	0.3
201.13885	5.2
202.14650	10.4
206.12018	0.3
445.87268	0.3
463.88245	0.3
609.28107	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	609.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94799	1.4
72.10934	1.7
82.42959	1.6
91.05473	2.0
92.18448	2.8
96.40237	1.4
103.05527	1.9
105.07052	6.2
107.04942	11.3
107.11090	1.7
119.04964	5.5
124.76237	1.3
131.04916	7.6
132.05818	1.7
133.02846	2.9
133.06490	2.0
137.06000	8.7
147.04430	9.6
159.07983	1.8
161.05994	6.3
162.22089	1.7
167.07016	31.7
170.09691	3.4
175.07500	2.3
176.04736	3.7
179.07053	3.7
191.07027	20.8
199.07579	17.0
203.08635	2.8
215.08600	3.6
218.07281	1.8
219.07965	2.5
231.08116	3.5
232.08821	3.4
233.09645	18.0
247.07542	1.6
248.08354	3.7
249.09137	6.2
250.09853	2.0
259.07559	2.7
260.08331	8.5
261.05212	1.6
261.09103	20.7
262.09879	3.4
263.06775	1.7
263.10703	6.5
265.08533	7.4
273.09113	2.8
274.06314	6.0
275.07169	3.3
276.07813	19.4
277.08621	5.8
278.09360	7.6
279.10120	2.3
288.07849	7.4
289.05417	2.8
289.08511	32.0
290.09326	15.3
291.06934	2.4
291.10175	13.7
293.08151	6.5
293.11771	6.6
301.08768	3.3
303.10251	2.3
304.07312	9.1
304.10709	1.7
305.08301	3.1
306.08936	10.1
307.09796	6.1
308.10413	11.0
319.09720	21.0
320.10416	8.1
321.07816	2.8
321.11197	29.2
322.12106	1.9
323.12729	10.1
336.09995	1.9
336.13596	2.1
338.11612	1.9
351.12292	100.0
353.13788	35.5
369.13373	7.4
426.86172	1.8
466.29266	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	609.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05846	1.0
82.99835	1.7
84.87119	1.2
101.00864	5.9
103.02429	1.5
119.01919	8.2
125.04549	1.1
127.02459	8.3
131.01881	2.2
136.86972	1.3
143.01898	52.7
145.03473	17.3
147.01396	15.2
151.06000	1.6
153.03996	2.7
155.01900	21.1
157.03490	2.8
161.02940	29.7
165.02467	6.1
167.01871	18.4
169.03433	4.5
171.01372	5.6
171.05058	5.4
173.02963	19.2
177.04022	4.4
179.01849	1.5
179.05563	5.3
185.01321	2.1
185.02956	58.8
187.04507	2.7
189.02452	14.3
195.04974	10.4
197.02957	15.3
197.06548	10.2
203.04016	12.4
215.03987	10.7
217.56174	1.2
221.02898	4.6
221.04973	2.0
223.04500	10.4
227.04001	36.4
233.03015	1.6
239.03993	10.2
241.05557	7.7
245.05052	83.5
249.02441	2.4
257.05023	7.6
263.06131	10.2
267.03589	11.4
273.04681	1.2
285.04547	18.3
303.05423	3.9
305.07214	7.5
309.04474	4.8
327.05594	78.7
339.05664	9.4
341.07196	1.6
345.06705	7.1
357.06531	9.0
365.09485	6.2
369.06854	5.2
383.10443	8.5
387.07800	6.8
410.20840	1.2
411.07919	1.4
429.08853	11.9
447.09854	5.6
453.10919	1.5
521.13940	1.8
522.11847	1.2
591.13983	15.0
609.15094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13390	0.9
55.28595	0.8
56.79781	0.9
65.66674	1.0
70.06592	2.5
72.08163	1.9
91.29197	0.9
92.18440	1.8
92.94033	1.1
94.57079	0.9
122.06020	7.6
123.04449	1.7
136.07585	7.8
138.09149	13.8
163.03935	1.9
164.07082	32.8
164.10803	1.8
165.05446	1.2
174.09172	4.0
177.06654	1.9
181.09750	3.9
183.09003	1.1
188.07069	1.1
189.55734	1.0
191.08220	6.9
192.10335	1.4
202.08647	1.8
203.08186	6.6
204.06609	2.1
217.09756	5.5
220.09706	1.2
222.11269	10.9
229.06102	6.3
230.08231	7.6
233.09335	1.4
238.53458	1.0
243.07767	1.9
245.09206	18.1
246.07576	2.5
247.24968	1.0
248.09267	4.1
256.06149	3.9
257.12881	1.9
259.10913	4.5
261.08716	22.0
261.11395	1.5
261.12292	1.0
263.10278	28.6
269.09152	1.7
271.07202	6.6
271.10593	1.1
272.09158	1.2
274.13013	1.3
275.14020	5.2
285.08807	3.9
285.12262	2.1
287.10275	25.3
289.08221	1.0
299.13977	1.2
300.11136	1.5
301.11823	42.0
305.11273	21.5
307.12988	4.4
313.08167	5.3
315.09927	5.2
331.13068	4.0
333.10889	1.2
355.13007	1.6
364.20465	2.0
366.18091	7.8
391.16644	1.4
406.17603	8.6
408.19168	16.7
412.32840	1.2
420.19363	4.9
424.18762	1.8
426.20511	10.3
434.17407	7.5
438.20422	4.9
444.21396	11.5
452.18149	23.5
468.17557	1.8
470.19022	11.6
571.24652	1.3
577.26489	1.3
589.26611	59.1
607.27460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84908	0.8
73.58092	0.9
81.07072	1.1
108.08124	2.1
109.10172	1.0
114.09040	0.9
121.06519	1.0
122.06033	1.5
124.07613	2.3
136.07596	9.1
136.33636	0.9
138.09154	8.0
146.05974	1.7
151.07521	1.6
162.86652	1.0
164.07062	39.0
164.10736	4.7
177.06575	1.7
181.09744	1.8
191.46936	0.9
192.10165	3.6
218.08128	2.2
240.10216	1.5
242.58792	0.9
244.09851	1.0
245.09111	1.5
258.11304	12.5
261.08676	2.2
263.10382	2.2
269.13022	1.4
272.09094	1.1
275.14026	2.0
286.15521	3.4
287.10361	7.2
287.13034	1.1
289.11926	1.0
301.11768	12.6
314.15039	10.6
315.09753	0.9
328.86975	1.0
353.18652	5.5
363.17004	6.4
365.18640	1.5
366.17697	1.1
367.16812	1.0
381.18115	25.2
391.16632	4.4
406.17697	2.0
408.18887	2.0
409.17505	28.5
426.20184	5.9
434.17172	1.6
452.18259	9.6
470.13730	1.2
571.26233	1.1
589.26581	13.1
607.27582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18385	1.6
60.29240	1.4
72.20279	1.3
83.31272	1.3
108.08086	2.0
109.10193	1.9
122.06034	14.5
124.07573	1.6
125.99947	1.5
129.86032	1.5
136.07593	11.8
138.09145	17.0
162.05466	1.9
164.07062	61.9
164.08333	2.7
164.10696	1.7
170.09546	2.3
172.11316	1.4
174.09192	7.1
177.06602	3.0
181.09734	9.6
186.03271	1.5
191.08321	11.8
202.08675	6.6
203.08217	9.5
204.06592	3.1
212.04213	1.5
217.09801	9.0
229.06119	11.2
230.08191	7.3
234.10023	1.9
235.10890	1.7
243.07697	2.6
244.09691	2.1
245.09229	30.7
246.07674	6.6
248.09222	6.0
254.10391	1.6
255.11259	2.7
255.20961	1.7
257.13074	2.1
259.10843	7.7
261.08786	12.1
261.12433	2.3
263.10272	46.7
271.07123	12.5
272.09076	2.0
274.13272	1.8
275.13956	9.2
283.10748	1.7
285.08630	2.6
285.12531	1.8
287.10190	25.5
289.08206	2.4
289.11584	1.9
299.13824	2.4
301.11798	39.3
303.13254	1.7
305.11368	28.4
307.13016	9.9
312.15640	1.8
313.08173	2.8
315.09775	2.0
317.14908	1.7
319.13232	1.8
329.11218	16.1
330.12128	3.2
331.12848	5.9
347.12430	6.2
358.32983	1.5
364.16458	1.8
366.18045	11.3
378.18237	3.0
381.18076	6.8
384.19522	2.2
387.14099	1.7
398.21152	2.2
406.17773	7.9
408.19138	1.9
409.17517	2.7
417.08963	2.0
420.19342	7.4
424.18433	3.5
426.20450	13.7
434.16925	2.2
438.20322	5.9
444.21368	18.8
452.18073	17.5
468.18069	2.5
470.19006	10.9
485.23795	1.6
521.85168	1.8
556.10919	1.7
589.26654	69.2
589.35986	2.4
607.27710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66147	0.7
110.06042	5.5
118.07494	0.9
122.06011	3.7
136.07597	3.5
138.09149	3.4
152.54338	0.9
164.07071	2.0
164.10701	1.6
192.10246	4.5
201.10249	1.1
217.09744	11.3
218.08295	1.0
235.10753	5.3
257.12888	3.2
257.44983	0.9
261.08694	28.8
287.10254	2.2
301.11819	11.7
392.16055	10.5
398.17020	1.2
406.17596	5.1
408.19205	35.4
409.17743	1.2
410.17307	4.6
416.18329	1.7
426.20251	35.9
434.17136	19.2
438.20758	1.2
452.18213	17.9
575.90741	1.0
589.26569	4.6
607.27637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16230	1.0
52.42951	0.9
56.33609	1.1
56.34892	1.0
60.70054	1.4
70.01498	1.2
70.06624	1.3
72.62130	1.0
107.34574	1.3
110.06047	3.1
136.07611	2.6
138.09142	2.4
160.10597	1.4
161.35910	1.2
164.10707	2.8
170.09621	6.9
171.10385	1.6
174.09113	2.1
177.14374	1.4
192.10219	2.7
202.48958	1.4
217.09793	5.1
235.10864	5.7
257.12881	5.7
261.08691	47.1
274.13333	1.7
275.13885	7.3
287.10284	11.1
301.11823	41.7
406.17679	9.4
408.19296	5.0
424.18784	1.8
426.20450	6.3
434.17313	8.8
452.18121	40.4
607.27551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	0.9
72.08159	1.0
90.02413	0.5
140.15573	0.5
144.33171	0.5
160.67339	0.5
167.07071	1.1
177.05606	0.6
185.04227	3.1
189.05237	13.5
203.06903	0.6
206.85452	0.5
216.07579	1.2
217.08313	4.3
219.06259	3.0
232.07185	0.7
233.07861	6.8
234.08627	26.0
235.09402	0.7
247.09402	5.0
365.12000	9.7
379.13635	25.2
395.13242	1.9
445.18210	6.2
607.23615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17382	0.5
55.22800	0.5
57.40546	0.5
58.63040	0.6
64.80215	0.5
81.07033	0.9
82.49567	0.6
87.05135	0.6
91.05467	0.8
93.07056	1.0
94.98568	0.6
106.79129	0.5
108.08133	4.5
109.10153	1.0
111.30894	0.6
121.06479	0.8
122.06048	3.5
124.07629	2.9
126.26138	0.8
136.07588	11.0
138.09125	11.2
146.06049	0.9
147.04335	0.6
163.08717	0.7
164.07062	54.2
164.10728	4.1
170.09608	0.9
174.09065	0.7
177.06592	1.3
181.09746	4.2
191.08134	1.2
192.10178	4.3
203.08063	0.8
207.04022	0.7
218.08179	1.5
222.11328	0.7
228.06459	1.5
229.06137	0.6
230.07982	0.8
235.10770	1.4
244.09695	1.5
245.09254	2.5
246.07710	0.7
248.09117	0.9
256.06006	0.7
257.12759	0.8
258.11188	9.7
259.14417	1.0
260.08002	0.7
261.08716	8.6
261.12543	0.9
263.10242	5.0
269.09222	0.9
269.12823	1.1
272.09091	0.9
275.13843	3.3
278.72211	0.6
286.10706	0.9
286.15491	4.5
287.10248	10.6
289.11960	3.0
301.11804	17.6
305.11197	4.7
307.12949	1.0
310.17831	0.7
313.08371	0.8
314.15015	10.8
315.09698	2.5
321.15726	0.7
322.14404	0.8
331.12888	1.3
339.17117	2.7
353.18677	3.3
363.17017	7.5
364.20203	0.9
365.18539	2.4
366.17270	2.6
378.18036	1.1
380.19968	1.1
381.18100	20.5
382.16400	1.0
382.21243	1.1
391.16504	5.0
406.17581	7.3
408.19235	5.4
409.17596	20.5
420.19199	1.5
424.18600	0.8
426.20193	9.1
434.16913	2.6
444.21252	5.4
452.18188	14.6
470.19525	1.3
529.25031	0.7
571.25671	1.0
589.26581	25.5
607.27637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51422	1.6
54.90908	1.7
55.05521	25.9
60.98352	1.8
67.05505	12.2
69.07075	8.7
79.05492	8.7
81.07070	3.6
83.08629	67.6
93.07037	4.6
95.08611	4.7
97.10173	59.4
107.07977	1.8
107.08591	17.1
111.08076	28.1
116.23180	1.9
125.09633	100.0
129.09096	8.3
135.08032	9.0
139.07565	17.7
153.09113	26.5
157.08597	22.0
171.10133	25.6
175.09647	24.7
189.11238	48.0
213.11215	40.3
227.12767	84.0
245.13858	11.6
365.19940	2.4
383.20670	18.9
397.22351	11.7
401.21710	70.8
415.23288	28.4
535.28784	4.5
553.29980	52.5
571.31097	58.5
591.40271	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	607.2365
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
67.10356	0.4
73.61213	0.4
81.02346	0.4
84.00706	0.4
84.08144	0.6
86.09701	0.5
87.95581	0.4
112.09979	0.5
144.33023	0.5
163.03821	0.5
164.34747	0.4
167.07027	7.0
170.09666	0.5
175.03766	0.6
189.05219	34.5
190.06000	3.9
207.06511	0.7
211.09653	1.0
220.03383	0.5
240.29353	0.5
281.14758	0.5
397.39777	0.4
429.15091	3.1
430.15973	0.6
444.17661	2.6
445.18295	18.5
457.56815	0.5
607.23615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57497	0.3
53.00314	1.3
53.77385	0.2
60.08160	1.6
69.03432	0.3
70.06588	0.5
71.01342	0.4
75.97756	0.3
86.09733	0.3
96.38612	0.3
99.00822	18.3
115.36052	0.3
135.04240	0.3
137.57698	0.3
143.03407	100.0
145.02823	0.4
163.03877	0.5
177.05495	1.7
212.11884	0.3
221.08093	19.5
253.08846	0.3
295.09689	0.4
323.09067	0.5
402.08224	0.3
444.20132	0.5
606.25452	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05066	0.5
67.05508	9.7
70.06579	0.7
79.05498	1.4
81.07073	0.9
84.04500	1.0
84.08158	1.4
85.16034	0.6
88.11237	0.7
91.05460	0.7
93.07055	4.4
95.08589	2.3
107.04948	1.0
107.08632	5.9
109.10162	15.5
110.09674	3.1
117.06996	1.4
123.08056	1.4
124.11244	8.9
130.05154	0.5
134.09657	8.2
135.08063	14.3
152.10712	93.9
153.09109	1.2
167.07097	0.7
170.11763	89.9
180.10237	3.4
185.82498	0.7
186.27637	0.6
198.11252	28.3
215.98787	0.6
216.12318	100.0
226.69955	0.5
248.03633	0.6
300.22189	0.6
324.07254	0.8
606.19843	0.7
606.32037	0.7
609.01819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30344	0.1
51.90181	0.2
52.99608	0.2
57.08577	0.2
68.39739	0.2
70.06590	0.3
96.47954	0.2
98.06050	0.9
115.08704	0.5
121.95836	0.2
143.14380	0.2
146.50641	0.2
150.06789	0.4
160.07576	10.9
170.09575	0.3
186.09145	29.4
187.03902	0.3
187.09935	22.8
217.13361	1.5
218.14151	54.8
303.20682	100.0
311.09134	0.3
346.76068	0.2
425.17267	0.2
533.78412	0.2
605.23657	1.2
605.40674	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	605.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71634	0.3
58.06607	0.4
59.48120	0.3
60.46909	0.3
70.06575	0.3
82.39304	0.3
91.30858	0.3
118.03625	0.3
120.40045	0.4
120.84329	0.3
144.08087	27.6
145.08885	0.7
148.01347	0.3
158.09660	1.9
159.31645	0.3
162.05502	0.8
166.64944	0.4
170.09644	100.0
171.10423	30.4
186.11432	0.7
187.12317	0.8
198.12827	0.5
199.12299	0.7
201.13860	5.6
202.14650	31.3
232.82520	0.4
245.09210	0.3
263.10059	0.4
269.20197	0.7
305.11575	0.8
357.09851	0.6
555.36945	38.7
558.39069	0.4
569.38776	0.4
587.25330	0.8
605.26093	4.4
605.36066	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55193	0.5
54.42062	0.5
70.06583	0.6
81.27057	0.5
114.40781	0.6
114.45228	0.8
131.04544	0.6
144.08084	25.5
145.08806	0.7
158.09604	0.9
163.03856	0.6
170.09642	100.0
171.10417	31.1
186.11452	0.7
199.12221	0.7
201.13921	5.6
202.14650	32.2
210.68011	0.7
220.39465	0.7
261.76657	0.6
271.35992	0.5
286.47495	0.6
410.53302	0.6
475.18735	0.6
486.05585	0.7
555.36914	38.0
605.26361	3.3
605.36108	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	605.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62341	2.7
78.07841	2.8
90.91685	3.4
107.44197	3.2
116.18157	3.2
170.09586	6.1
192.81012	3.5
216.75105	3.6
313.63004	3.7
328.81860	3.4
336.13428	15.4
351.15802	5.4
378.18149	4.9
380.19525	6.8
392.19751	3.9
406.17593	52.9
436.18723	16.8
450.20276	43.8
468.21103	14.1
605.29614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
55.05527	7.1
55.56664	3.4
56.14822	3.5
67.05518	5.9
69.03428	17.1
69.07059	19.1
70.06586	7.5
72.08160	6.0
73.02918	3.4
79.05473	6.2
81.03423	14.3
81.07051	20.1
85.02916	37.4
86.09698	5.8
87.00819	24.1
91.05494	5.5
93.07042	25.8
95.04978	3.3
95.08604	47.3
97.02885	15.2
97.06531	3.8
97.10196	3.5
98.06081	3.5
99.04450	5.4
105.01852	8.3
105.07043	37.6
107.08602	29.3
109.02853	5.9
109.10152	30.9
111.08096	16.3
111.56944	3.9
113.09625	28.0
119.08573	17.9
121.06561	4.6
121.10157	22.1
123.11667	7.0
125.09628	5.3
127.03920	25.9
131.08540	49.6
133.10101	28.7
135.11700	7.7
137.13225	3.5
139.11148	5.2
141.12923	3.8
142.97864	3.6
143.08589	18.6
145.04919	6.5
145.10158	64.7
147.11676	35.5
149.09584	3.6
149.13312	8.2
151.11224	4.7
151.52859	3.7
157.10063	31.3
159.02898	3.7
159.11688	38.4
161.09593	4.2
161.13280	26.9
163.11227	7.1
163.14825	8.7
167.14278	6.2
168.00742	3.7
169.10172	15.6
171.11691	32.4
173.13248	33.3
175.14896	4.9
176.08040	5.1
177.12785	8.0
178.90959	3.7
179.14246	5.8
183.12679	4.9
185.13277	23.5
187.14911	4.5
189.12770	20.4
191.14366	22.4
197.13255	6.8
199.14835	22.7
201.16408	16.5
209.15413	6.9
210.98236	4.5
211.14865	7.7
213.16296	6.7
215.17972	5.9
227.17992	18.8
229.19597	4.2
241.19540	21.0
245.18933	7.5
246.08388	4.5
255.21088	14.9
257.22580	6.4
259.20615	8.3
267.21158	22.0
273.22064	30.8
275.13837	3.9
285.22086	42.8
291.07321	3.9
291.23141	33.3
292.91391	3.8
303.23190	67.1
309.24326	9.2
321.24219	100.0
339.25339	80.3
357.26425	63.0
533.27930	3.9
551.27844	7.0
569.29663	7.4
587.24530	6.0
605.23907	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2608
Annotation	N-Demethyl-desepoxyansamitocin P-3
Peak:m/z	Relative Intensity
63.51987	1.9
92.18443	2.2
101.24913	1.6
116.87495	2.0
164.07039	2.2
170.09656	3.7
178.26932	1.6
189.80222	1.8
239.99142	1.8
261.08688	40.7
287.10269	31.1
301.11804	3.1
332.64886	2.3
348.13248	2.0
367.50766	1.9
378.18243	14.8
380.19601	2.9
389.13559	17.2
390.18103	7.0
391.15405	14.0
404.16110	39.0
405.16824	4.3
406.17615	100.0
417.13208	9.9
421.12759	21.5
424.18820	2.1
432.15469	3.9
435.14307	37.0
450.16565	23.7
525.25146	4.4
543.26038	60.7
587.25049	98.7
605.26324	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	605.2609
Annotation	N-Demethyl-desepoxyansamitocin P-3
Peak:m/z	Relative Intensity
55.00990	0.4
60.08004	0.4
69.58968	0.4
70.06613	0.8
72.08149	2.1
73.84142	0.4
81.07042	0.6
84.08112	0.7
85.02909	1.8
91.05486	0.7
93.07033	0.8
96.75700	0.4
97.06551	0.7
107.55529	0.4
110.06054	10.2
112.58348	0.5
122.06053	2.3
124.06776	0.5
124.07584	3.6
128.44774	0.4
128.57965	0.5
135.04410	1.8
136.07593	11.9
138.09137	4.8
140.07089	3.1
145.02844	2.3
153.82901	0.5
154.08656	5.3
163.03915	11.0
164.07089	2.0
164.10701	2.0
166.53622	0.5
170.09657	0.9
174.09120	0.8
174.90218	0.5
177.05499	0.7
182.08122	2.2
191.06999	0.7
192.10248	2.2
200.09213	0.8
215.08159	0.7
215.91635	0.5
217.09750	1.7
221.08003	0.8
227.11914	0.6
228.93236	0.5
234.09987	1.0
235.10733	3.5
241.06033	2.0
241.09784	2.0
255.11298	5.4
257.12778	5.1
259.07117	0.6
259.10522	0.5
260.08017	0.8
261.08749	5.7
261.12280	0.5
267.07657	4.5
269.09183	2.5
273.12411	2.6
274.13199	0.7
275.13925	9.5
281.09210	4.3
283.10754	0.7
287.10272	3.5
295.07190	0.9
299.10309	4.3
301.11835	13.8
307.18073	0.8
315.09851	0.7
332.17300	0.6
350.18582	1.7
360.17087	2.9
362.18561	1.0
363.17017	0.8
368.19763	2.4
378.18124	7.1
379.16675	0.8
380.19766	1.9
388.16656	1.7
396.19348	6.3
404.16129	2.4
406.17618	19.1
407.16479	0.8
409.16785	0.7
422.17020	4.1
424.18680	21.2
426.20154	4.6
432.15610	2.0
432.88467	0.5
434.17169	0.6
436.18735	0.9
438.20273	2.2
450.16599	11.4
452.18182	12.9
454.20084	0.8
468.17630	0.9
524.24109	0.8
544.75354	1.0
559.25598	0.9
587.24841	5.2
590.25391	0.6
605.26086	100.0
605.75879	0.8
607.59131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97005	1.3
58.06611	1.9
59.22882	1.7
60.08167	3.1
70.10332	1.7
74.19649	1.6
82.04794	1.5
84.16451	1.6
91.05471	1.8
99.96873	1.8
105.07050	2.7
107.36401	1.6
122.09616	2.3
124.27588	1.6
131.04868	2.5
137.05994	61.4
144.08066	15.0
151.03926	8.6
161.05948	8.5
170.09657	38.4
171.10403	8.5
173.66791	1.7
187.12233	2.0
195.74005	1.7
201.05473	76.0
202.14635	9.2
205.13338	3.7
213.05473	8.6
231.06494	2.1
233.12883	14.3
234.06682	3.1
235.07414	2.4
245.05865	2.0
249.09076	6.9
257.26126	2.0
262.06198	11.2
263.07065	3.1
265.08484	2.8
273.05518	3.9
274.06229	3.1
277.08667	34.0
287.07037	8.9
290.05750	53.9
291.10474	2.7
293.08032	9.5
294.08823	7.4
295.09433	5.5
304.07468	3.0
305.08093	92.2
307.09738	14.1
309.11545	5.4
319.09766	3.9
322.08356	8.5
325.10617	13.1
337.10693	100.0
355.11734	77.0
486.63220	2.2
555.36761	10.2
605.29724	3.2
605.37067	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	605.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64102	0.6
51.65375	0.6
53.03957	1.1
55.05524	11.0
58.07237	0.7
58.17747	0.7
58.44765	0.6
69.03426	0.8
69.13218	0.7
70.06594	7.4
72.07806	1.0
72.08167	21.7
81.03419	1.5
84.29839	0.7
89.10798	1.0
98.06062	74.4
99.09217	1.9
105.07022	1.0
115.08696	64.4
121.06494	0.9
123.04336	0.8
127.08646	1.1
133.02875	6.5
136.07550	0.7
137.06000	4.2
145.02815	1.6
149.05966	8.1
150.06779	17.2
151.04039	1.0
161.02347	1.4
163.03825	2.8
163.43709	0.8
165.05490	1.2
177.05458	25.6
187.03925	5.9
191.03351	0.9
233.05936	1.3
234.38651	0.9
236.12819	1.1
246.11281	1.3
248.12804	5.7
251.07051	2.9
263.13953	1.4
264.14761	1.7
265.15570	3.6
279.06406	1.2
281.08017	0.8
283.09531	1.3
284.82156	0.8
293.08090	3.6
309.07657	7.5
311.09094	14.4
313.87158	0.7
322.64868	0.8
337.06985	5.6
353.08517	1.1
372.76813	0.8
425.17068	19.6
561.30414	1.0
605.23364	100.0
620.77393	0.9
624.09955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73867	0.3
55.01865	1.0
55.05288	0.6
55.05523	10.9
56.01399	0.5
67.34155	0.4
69.03427	0.4
69.05806	0.4
70.06597	5.3
72.08163	20.1
73.99564	0.4
81.03423	2.3
85.02894	0.6
86.50324	0.4
89.10796	0.7
91.05498	0.7
93.07046	1.8
98.06060	66.5
99.09216	2.3
99.99100	0.4
103.05489	1.0
103.57835	0.4
109.02916	0.5
115.08694	56.8
117.03375	0.6
119.04964	0.5
121.06501	2.9
126.72536	0.4
127.08730	0.6
131.04918	0.6
133.02852	10.9
135.04399	3.5
137.05988	9.7
144.08107	1.8
145.02850	3.3
145.08435	1.1
146.08669	0.5
147.04425	1.8
149.05995	14.8
149.99402	0.4
150.06770	43.9
151.03949	5.1
151.07515	2.8
159.04417	2.7
161.02356	3.8
161.06020	1.9
163.03876	6.7
164.61560	0.4
165.05470	3.0
166.06297	1.9
170.09685	6.7
171.09991	6.3
172.10596	0.8
173.02405	0.8
175.03915	1.9
176.04726	2.5
177.05478	19.1
187.03911	41.0
201.13896	0.5
202.14639	1.7
203.15083	0.7
205.06506	0.9
223.07497	0.8
233.05988	3.9
236.12871	1.0
237.09001	0.5
246.11324	2.0
248.12849	3.6
250.06235	2.1
251.07077	3.2
253.08762	0.5
261.05542	2.2
263.13931	2.6
264.14648	1.8
265.08545	3.5
265.15485	2.8
267.06543	0.8
275.10538	0.8
278.05835	3.4
279.06555	1.7
281.08124	0.9
283.09595	1.8
293.08118	8.3
294.05319	1.0
301.11929	2.1
309.07578	8.5
311.09140	28.2
319.06027	0.8
324.54852	0.5
337.07056	12.8
353.08490	1.0
403.23172	0.5
425.17072	34.8
443.18182	0.5
447.83121	0.5
489.13861	0.6
585.83063	0.5
605.23395	100.0
605.39563	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	605.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
55.05526	10.3
56.05024	0.9
69.03426	0.7
70.06609	6.3
72.04537	0.7
72.08163	27.0
84.04517	7.8
85.02911	1.3
86.09692	1.5
89.10811	0.9
91.05431	0.6
93.07049	1.0
98.06061	61.5
99.09235	1.5
104.02055	0.7
109.02908	1.0
115.08696	42.0
121.06527	3.3
122.31438	0.8
124.16407	0.8
126.09159	32.0
130.94321	0.6
131.04913	0.8
133.02847	8.7
135.04488	1.4
137.06006	10.5
142.31567	0.7
143.11792	22.5
144.08125	1.5
145.02846	3.0
147.04413	3.3
149.06000	11.3
149.78548	0.6
150.05542	1.5
150.06763	38.8
151.03944	2.8
151.07587	2.5
159.04451	3.2
161.02357	3.7
163.03909	5.0
163.46407	0.8
165.05473	2.5
166.06284	1.5
166.08600	0.7
167.07037	5.7
168.07378	3.0
173.02345	1.3
175.03865	1.6
176.04514	0.9
177.05467	18.5
177.27870	0.7
187.03911	36.5
191.03410	0.9
199.69188	0.8
209.08182	1.5
223.07588	1.0
233.06036	3.5
246.11282	1.4
248.09158	1.4
248.12813	3.1
250.06291	1.5
251.07101	1.7
261.05438	1.6
263.13895	1.2
265.08701	2.6
265.15451	1.4
267.06604	0.9
276.08713	1.1
277.09082	1.5
278.05750	2.6
283.06332	1.0
283.09732	0.9
293.08102	7.0
301.11752	0.9
309.07770	2.7
311.09171	27.9
323.09647	1.5
336.08557	0.7
337.03818	0.7
337.07047	6.0
353.08615	1.0
355.14801	0.8
381.96643	0.7
425.17065	28.8
471.09970	0.7
605.23401	100.0
609.02216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63165	0.5
70.94210	0.5
78.43613	0.6
83.01107	0.8
84.01842	1.0
95.01102	4.4
96.01864	1.4
108.68348	0.6
112.01338	1.2
113.02135	6.2
129.34525	0.6
157.04715	2.2
159.27823	0.5
167.03087	0.8
169.04720	0.6
175.03645	1.1
185.04219	13.0
185.05698	1.7
201.03691	1.3
203.05293	0.6
219.06349	0.9
221.07983	0.6
246.04962	6.7
311.49048	0.6
351.10516	5.5
365.12097	7.3
425.87448	0.6
564.97540	0.7
605.18378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75983	1.2
57.03450	22.5
61.02937	10.6
62.91988	1.3
67.43607	1.1
69.03433	39.7
70.06595	2.4
71.04977	1.4
72.00832	1.2
72.08145	1.9
73.02922	52.2
81.03417	6.2
85.02910	100.0
87.04453	6.0
91.03947	3.2
95.08586	1.7
97.02897	84.7
99.04450	6.2
100.08754	2.4
105.07024	1.7
106.83323	1.3
109.02876	10.1
115.03926	45.8
115.04725	1.8
127.03922	36.8
133.04965	8.1
145.04970	35.5
145.13803	1.3
159.98029	1.2
163.03935	2.5
163.06001	17.7
193.04944	2.0
200.81563	1.4
203.76927	1.3
223.05989	7.5
241.07040	8.2
259.08102	14.9
285.15921	2.7
285.22217	2.2
286.16418	2.9
293.19592	6.7
294.16953	7.2
295.10269	40.4
303.23145	2.6
322.80649	1.5
325.11383	10.3
327.00998	1.4
425.18790	2.1
543.25159	1.4
604.28790	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	604.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93737	0.7
59.40928	0.7
72.46113	0.8
76.31802	0.7
84.99056	0.7
87.16245	0.8
92.67249	0.8
93.07029	1.2
94.11096	0.7
95.08604	3.2
95.53819	0.7
105.07027	3.4
107.08620	3.7
109.10217	2.8
111.49712	0.9
114.38953	0.7
119.08557	4.2
121.10143	6.4
125.05997	4.2
129.00038	1.1
133.10147	6.1
135.11664	3.4
137.09668	1.0
143.08638	1.4
145.10152	1.9
147.11656	7.2
155.01723	3.0
157.10129	4.9
159.11700	3.6
161.13290	1.7
165.09149	1.3
169.10176	2.0
171.11696	7.9
173.13257	1.9
183.11681	3.8
185.13269	27.9
186.92603	0.8
187.14795	7.8
195.11746	1.3
197.13297	3.5
198.05902	9.4
199.14836	23.2
201.16484	1.2
209.13333	1.2
211.14792	1.9
213.12689	1.0
215.10556	1.4
217.12260	1.0
218.04941	0.9
221.13234	1.9
223.14830	3.9
225.12857	0.9
225.16364	1.2
227.03766	5.2
231.13980	1.0
237.16243	1.3
239.17995	1.6
244.06454	5.6
249.16475	3.2
251.14433	1.0
251.17982	5.3
263.17987	1.8
265.19431	1.2
267.13971	1.1
277.19531	4.0
301.61777	0.8
303.20975	1.1
305.22696	8.0
307.24265	1.5
323.23685	4.0
333.22369	0.9
336.20892	1.8
341.21396	0.9
351.23264	16.3
362.92889	0.9
367.22748	3.0
369.24252	100.0
568.27502	4.0
586.28357	45.1
604.29492	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	604.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
56.05043	1.0
60.93608	0.9
65.03941	1.4
67.48219	0.8
69.07074	1.3
85.02909	5.7
87.83942	0.9
89.87283	0.9
91.05482	4.8
93.03414	13.1
93.07040	1.7
95.04951	1.3
97.02913	3.3
103.05482	6.9
105.06981	1.2
106.04200	8.6
107.04989	4.1
111.04447	1.7
115.05463	1.3
115.81086	0.9
118.04182	1.1
119.04951	2.0
121.06512	19.8
125.06018	9.4
127.03926	1.3
131.04916	15.0
132.05710	5.6
133.06508	3.8
134.03665	1.6
139.07536	1.1
145.02846	1.0
147.04404	4.0
148.05206	4.6
149.05994	47.3
151.03883	1.5
151.07581	6.7
153.09099	12.9
154.06267	1.0
154.74297	1.0
160.05174	6.6
163.03897	1.4
163.07520	12.2
165.05496	5.7
167.07040	12.9
176.04608	1.5
177.05470	37.4
179.07043	20.7
180.07770	19.1
181.04910	6.8
181.08600	25.3
182.09392	4.1
186.09154	4.1
187.09804	1.7
191.07036	89.3
192.07822	51.6
193.08549	10.9
195.06500	1.2
197.04466	20.5
207.06523	1.0
209.08098	100.0
210.08844	2.1
218.14143	1.2
219.14500	1.3
224.27745	1.0
233.04417	3.7
237.29295	1.0
242.87628	1.0
248.09274	2.1
276.08731	6.9
290.59271	0.9
304.08270	1.3
322.09195	5.5
357.09671	5.2
359.11292	1.3
361.12833	5.0
371.12848	1.2
377.12302	15.3
389.12204	12.3
407.13242	1.2
604.19946	8.7
604.39301	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	604.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	5.9
69.03425	1.9
70.06602	13.8
72.08152	6.4
85.02904	8.6
91.05472	6.1
93.03406	11.4
93.07037	1.6
97.02869	2.2
103.05479	10.5
105.07045	2.1
106.04179	10.3
107.04946	5.2
119.04858	1.5
121.06494	17.1
123.04429	2.2
125.05997	7.0
131.04933	17.0
132.05719	6.8
133.06523	2.3
137.05977	2.0
145.02805	1.8
147.04437	2.6
148.05202	6.2
149.05984	48.0
151.07552	7.5
153.09097	11.8
155.11888	1.5
159.04454	1.9
160.05234	5.2
161.06007	2.3
163.03864	3.1
163.06221	1.4
163.07555	8.9
165.05423	5.4
167.07069	13.1
169.04994	1.7
176.04599	1.5
177.05470	38.4
179.07004	21.8
180.07770	19.0
181.05026	10.2
181.08598	22.4
191.07030	88.1
191.08792	2.9
192.07808	48.3
193.08614	7.5
197.04451	19.6
209.08089	100.0
219.02985	1.5
222.11267	8.5
233.04500	6.4
233.08073	1.6
243.06636	1.4
248.09149	5.1
252.13922	1.4
258.07767	1.8
273.25595	1.4
276.08606	16.0
304.08356	2.3
322.09253	17.1
334.13046	1.3
357.09650	6.9
361.12854	2.8
377.12204	11.8
389.12320	11.8
399.56992	1.4
407.13147	2.7
442.14957	8.2
535.58362	1.6
604.18933	11.7
604.28284	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	604.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44796	0.8
56.04785	0.9
56.05045	19.5
70.06590	1.8
74.02431	1.8
85.02896	1.6
90.43789	1.2
91.05518	1.1
100.13663	0.8
114.05545	4.6
116.31709	0.9
119.04931	3.6
121.06486	1.2
121.53564	0.9
131.04922	1.4
139.67439	0.9
144.08118	1.2
147.04417	26.8
149.05969	4.3
163.03897	1.1
170.09668	4.6
171.10080	1.9
173.40945	1.0
177.05525	2.2
179.03447	4.7
180.07802	1.6
181.08528	1.4
186.09186	1.7
189.01797	4.5
189.09073	1.4
191.03383	3.9
191.07045	7.8
192.07848	4.7
197.04486	1.3
204.10126	1.6
205.04944	14.9
206.04530	3.7
207.02872	7.7
209.08202	7.2
214.08722	1.4
215.03351	3.8
231.06433	1.5
232.09706	4.8
233.04474	34.1
233.08008	7.9
243.06546	1.7
248.09189	39.2
258.07599	18.9
259.06067	6.1
260.09265	5.7
261.07626	4.2
276.08667	75.1
304.08145	27.2
307.09766	2.3
311.08890	1.1
322.09204	74.4
375.43872	1.0
378.13199	1.7
400.56497	1.0
424.13715	1.1
442.14926	11.6
551.64294	0.9
604.20264	100.0
604.39508	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	604.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08282	1.0
54.93018	0.9
55.66333	0.9
56.04827	1.0
56.05039	19.6
56.19607	0.9
60.78889	1.0
69.03406	1.6
70.06589	1.7
73.86476	1.2
85.02892	1.9
87.64105	1.5
102.92648	1.2
107.04924	1.4
108.32111	1.3
114.05570	4.2
119.04946	1.2
121.06532	1.8
123.04350	1.2
131.04831	1.2
147.04396	27.6
149.05925	1.5
162.01903	1.5
163.03906	5.8
163.07509	1.3
167.07089	1.9
177.05499	2.2
179.03387	6.0
179.07036	1.3
180.07816	1.5
181.08633	1.6
189.01814	5.0
189.09094	1.5
190.05032	1.3
191.03441	2.8
191.07060	5.8
192.07832	1.8
193.08580	1.3
201.36974	1.3
204.10269	2.3
205.04968	18.0
206.04544	4.6
207.02902	8.3
209.08104	7.0
215.03473	2.7
220.09607	1.8
230.08092	2.2
231.06546	1.7
232.09749	6.3
233.04440	41.6
233.08170	6.7
248.09174	38.5
258.07568	20.0
259.06003	8.3
260.09186	6.5
261.07587	2.5
269.08505	1.3
276.08655	69.6
278.10123	1.5
281.08258	1.7
304.08176	25.9
307.09769	2.2
322.09216	70.0
442.15298	8.8
442.78040	1.2
604.20251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42127	0.9
56.04789	1.0
56.05045	22.1
61.02916	1.6
62.19608	1.1
69.03412	4.5
69.21518	1.0
70.06601	9.7
72.08152	4.5
74.02445	2.1
81.03395	2.6
84.08115	4.6
85.02899	12.0
91.05518	1.2
95.75230	1.1
97.02862	4.8
100.07509	1.2
109.02853	1.9
114.05490	1.8
118.77346	1.3
123.04420	1.4
128.07101	1.3
129.10254	5.3
133.06516	1.6
141.42007	1.0
147.04430	23.3
149.05998	2.3
151.03899	28.5
161.05902	2.6
163.03906	2.6
163.07449	1.4
167.06979	8.2
175.35487	1.0
177.05437	4.8
179.03372	4.5
179.07001	1.3
181.08473	1.8
181.21463	1.0
187.09746	1.4
189.01825	6.9
189.09129	1.6
191.03294	1.7
191.06990	5.9
192.07780	2.0
193.08519	1.3
195.11362	3.7
195.91606	1.2
203.07040	2.7
204.10310	1.8
205.04953	13.0
206.04526	1.9
207.02890	9.9
207.06567	1.2
209.08113	6.5
211.09691	1.4
215.03378	1.2
219.02858	1.7
222.11276	5.0
230.08098	2.0
232.09712	5.7
233.04433	39.6
233.08099	5.1
240.13426	1.9
243.06477	2.1
248.09175	48.1
248.29019	1.3
258.07620	16.7
259.06091	2.7
260.09180	8.5
261.07602	7.1
265.08878	1.4
276.08670	92.1
277.07080	2.1
281.08203	1.8
304.08148	34.3
307.09637	4.4
311.08945	1.6
322.09207	100.0
323.09076	1.6
335.09033	2.0
335.12906	2.2
350.13672	1.4
396.14413	1.5
424.13876	9.8
442.14975	61.8
586.53918	1.4
604.20105	77.3
604.28040	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	603.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	2.6
60.23645	0.5
70.06599	5.4
72.08160	4.7
84.08143	3.0
85.02905	0.5
86.09696	0.7
92.84586	0.5
98.06057	0.8
112.11221	0.7
114.10258	0.7
131.04985	0.6
136.07529	0.6
144.08093	9.0
160.07578	36.3
163.03906	5.9
170.09662	3.5
174.09131	2.1
174.12805	0.7
186.09146	100.0
187.09923	40.5
202.11003	1.1
217.09843	4.3
217.13297	8.0
218.14140	40.0
220.09688	3.6
221.10036	0.7
222.11298	2.3
223.88371	0.5
245.16451	3.2
256.19025	0.6
285.19611	1.2
291.13712	0.6
309.07715	0.7
313.16718	0.9
328.19070	3.1
359.23306	11.0
366.39166	0.7
542.26880	0.6
585.38141	5.6
603.28253	7.3
603.39044	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05052	16.9
61.88769	1.6
66.70978	1.5
76.85609	1.6
85.02908	3.0
93.03388	7.6
103.05486	2.9
105.07010	2.0
106.04174	3.5
107.04939	2.2
119.04951	3.0
121.06514	13.7
125.05981	2.0
126.21364	2.0
131.04938	9.6
132.05748	2.0
133.06451	2.6
147.04420	23.0
149.05966	26.3
150.78802	1.6
153.09126	3.1
163.03914	2.8
163.07520	3.0
167.07025	8.7
177.05473	20.0
179.03381	2.4
179.07056	3.8
180.07854	9.7
181.04936	4.1
181.08586	14.0
182.09387	2.2
191.07031	37.9
192.07794	24.2
192.67651	1.5
193.08644	2.6
197.04504	9.1
205.05006	14.7
207.02893	9.1
209.08086	45.1
215.03461	2.9
232.09776	3.6
233.04460	33.2
233.08173	3.2
248.09166	28.6
258.07632	13.0
260.09171	4.2
261.07697	2.3
276.08667	56.8
304.08063	21.4
322.09192	67.6
357.09900	1.9
377.12402	4.2
380.14771	1.9
389.12384	3.9
399.22354	1.8
424.13239	2.1
440.40546	1.7
442.14981	14.5
579.90186	1.8
604.20264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
58.06588	0.9
70.06609	0.6
72.08154	0.5
113.88506	0.6
125.22932	0.5
136.49687	0.5
160.07573	38.2
161.08350	0.6
170.09599	1.9
174.09129	2.9
186.09143	100.0
187.09926	43.3
202.11021	2.0
217.13341	7.8
218.14142	41.4
228.13950	0.6
229.52296	0.5
245.16556	3.7
245.18700	0.5
284.91501	0.6
285.19678	1.9
308.04666	0.5
313.16623	0.7
328.19089	4.3
359.23322	11.0
585.38141	5.5
603.39081	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98055	0.5
60.85398	0.6
70.06595	1.1
72.08123	0.9
73.29494	0.6
84.08134	1.4
85.02896	0.7
85.08482	0.7
92.17825	0.8
93.74642	0.7
97.45308	0.6
108.51601	0.7
114.09177	1.7
143.11841	1.3
144.08087	25.8
158.09668	2.7
160.07599	12.8
170.09647	95.6
171.10414	28.5
172.11227	0.8
186.09143	31.8
187.09924	14.3
187.11676	0.7
187.12321	0.9
201.13860	5.3
202.14655	29.1
217.13397	2.4
218.14142	13.4
261.16132	0.7
283.15613	0.7
312.19757	1.5
343.23819	7.6
359.23410	3.5
431.09924	0.6
585.37799	1.1
603.31812	4.4
603.39136	100.0
614.58484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3186
Annotation	trapoxin A
Peak:m/z	Relative Intensity
50.24607	0.9
52.19704	1.1
61.57704	1.1
69.58864	1.1
70.06599	1.7
72.08136	8.0
76.45086	1.3
84.08141	2.1
86.32793	1.0
86.60320	1.1
89.30329	1.2
100.07607	2.5
123.04418	17.6
136.07593	1.3
144.31554	1.2
165.05492	18.9
170.09610	2.0
180.96561	1.5
221.12849	1.6
222.11252	100.0
252.10106	17.1
294.11234	6.2
324.94025	1.2
365.18576	5.8
477.74655	1.5
603.31537	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	603.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91233	2.4
55.05529	19.4
67.05499	12.2
69.03434	3.8
79.05486	11.4
81.07061	5.3
83.06790	2.7
83.08611	22.9
83.64719	2.8
93.07040	5.8
97.10175	79.5
102.87547	2.8
107.08598	24.9
109.68736	2.9
113.10850	2.7
116.68697	2.6
125.09637	100.0
125.10503	4.0
135.08095	13.2
143.10696	4.1
153.09105	30.3
171.10172	21.5
189.11198	36.3
227.12787	80.2
227.14941	4.4
245.13792	4.5
397.22131	31.8
415.23276	56.6
544.07019	3.5
549.30219	5.8
567.31787	24.1
585.32556	24.8
603.37616	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	603.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25168	0.8
71.57218	0.6
72.08144	0.8
85.02921	1.1
99.84274	0.8
110.99962	0.8
145.02856	15.5
149.05916	1.4
154.47166	0.8
161.05978	1.3
167.07030	100.0
171.14922	1.2
177.05473	38.1
186.09227	1.4
193.08650	7.1
199.14447	1.6
211.09669	19.6
271.39105	0.9
277.57333	1.0
300.91733	0.9
387.14520	1.7
603.29163	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	603.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	1.4
54.56561	1.2
55.05508	3.5
55.24634	1.2
57.03441	8.9
58.48195	1.2
60.09023	1.3
61.02940	2.6
69.03434	10.2
69.07077	62.7
70.06593	14.8
72.08166	18.4
72.18484	1.5
73.02929	20.4
75.58469	1.5
76.00285	1.4
81.03422	2.2
84.08158	5.7
85.02916	35.4
85.91854	1.7
87.04485	1.7
89.72277	1.4
97.02905	27.7
97.07648	1.8
99.04426	1.4
103.05476	6.2
109.02888	2.8
111.11731	43.1
111.80297	1.8
114.10313	16.5
115.03954	14.6
115.08700	2.6
120.08148	1.7
123.04414	6.8
127.03954	12.5
129.10199	4.0
129.12752	35.2
131.04935	100.0
133.05028	2.2
135.04417	1.4
145.02725	2.0
145.04974	11.1
147.13789	19.0
160.07574	19.8
163.03911	29.7
163.05981	5.4
164.04164	1.4
170.09724	2.9
186.09135	44.4
187.09924	21.3
201.14014	4.9
202.12372	10.4
217.13358	1.4
218.14165	20.3
220.09653	2.5
234.11339	1.8
244.14549	6.0
259.08121	5.8
295.10339	14.0
325.11404	2.7
359.23306	5.5
585.37628	2.3
603.26617	84.6
603.38916	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
60.05642	0.5
68.55215	0.5
69.03423	0.8
70.06609	8.0
72.08163	16.8
81.03423	4.7
84.08152	1.0
85.02905	1.4
86.09705	2.3
87.07983	1.0
91.05462	0.7
97.07661	12.9
98.02405	0.8
98.06060	1.4
100.07599	0.6
103.31788	0.6
105.07036	0.8
109.02880	6.7
110.02410	13.5
114.10297	29.4
115.08704	6.8
115.26073	0.6
123.04447	1.1
129.10233	1.2
131.04932	15.5
131.12932	2.4
152.07082	33.4
152.08308	1.3
163.03905	4.1
169.09689	1.3
194.09267	18.5
194.10938	0.9
201.13893	10.8
202.12282	15.5
208.09761	1.3
211.11981	0.6
213.09148	2.7
220.09763	0.9
222.11356	0.8
236.12865	0.7
237.09093	1.2
244.14410	11.3
247.07533	2.2
255.11320	0.7
261.12708	0.9
261.17126	17.7
265.08646	3.1
292.09622	0.7
293.08066	3.4
341.15002	0.7
347.06961	0.7
364.15442	0.9
406.18060	0.7
542.10022	0.8
559.31934	0.9
588.25256	0.7
603.26666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
60.05642	0.5
68.55215	0.5
69.03423	0.8
70.06609	8.0
72.08163	16.8
81.03423	4.7
84.08152	1.0
85.02905	1.4
86.09705	2.3
87.07983	1.0
91.05462	0.7
97.07661	12.9
98.02405	0.8
98.06060	1.4
100.07599	0.6
103.31788	0.6
105.07036	0.8
109.02880	6.7
110.02410	13.5
114.10297	29.4
115.08704	6.8
115.26073	0.6
123.04447	1.1
129.10233	1.2
131.04932	15.5
131.12932	2.4
152.07082	33.4
152.08308	1.3
163.03905	4.1
169.09689	1.3
194.09267	18.5
194.10938	0.9
201.13893	10.8
202.12282	15.5
208.09761	1.3
211.11981	0.6
213.09148	2.7
220.09763	0.9
222.11356	0.8
236.12865	0.7
237.09093	1.2
244.14410	11.3
247.07533	2.2
255.11320	0.7
261.12708	0.9
261.17126	17.7
265.08646	3.1
292.09622	0.7
293.08066	3.4
341.15002	0.7
347.06961	0.7
364.15442	0.9
406.18060	0.7
542.10022	0.8
559.31934	0.9
588.25256	0.7
603.26666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.133
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83713	0.5
72.36256	0.6
86.02833	0.6
88.41286	0.6
113.54337	0.6
123.32279	0.6
152.05664	1.1
157.65567	0.7
168.50645	0.6
174.96883	3.7
186.96857	3.2
198.96930	3.7
216.98055	1.3
219.01781	1.3
234.99052	3.4
243.58784	0.6
245.05070	0.9
277.00037	5.0
292.29376	0.7
326.13300	0.6
397.04312	2.8
450.10886	0.7
502.26874	0.7
541.13239	1.1
559.14307	100.0
585.07251	2.4
603.13403	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	603.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17607	0.6
55.21782	0.5
60.93292	0.6
69.03426	3.3
70.06582	1.0
71.05003	1.1
72.08154	1.2
81.07047	2.5
82.70230	0.5
85.02908	6.2
93.07032	2.9
95.01352	0.8
95.04966	3.3
95.08626	5.6
97.02868	1.1
97.06506	0.8
99.04452	2.9
105.07060	5.7
107.04974	0.9
107.08604	5.0
107.82220	0.6
109.02882	0.8
109.06496	1.1
111.08111	0.7
117.07032	0.9
119.08584	13.7
121.06489	2.9
121.10117	1.5
123.08116	5.2
131.08582	6.2
133.10129	8.6
135.08078	4.4
141.01839	4.1
145.06543	1.2
145.10088	5.2
147.08023	4.9
147.11694	2.8
149.09622	1.2
155.07019	0.7
157.10139	1.1
158.10901	1.1
159.08063	3.0
159.11687	15.1
161.09615	3.1
161.13219	1.0
163.07539	7.7
163.11143	0.7
165.09102	11.5
171.11658	3.0
172.08920	1.1
173.09601	1.3
173.13248	23.7
175.07506	1.5
175.11165	0.8
175.14900	0.8
177.09103	2.6
186.09062	0.9
187.11194	7.0
189.12837	1.5
199.11183	3.2
201.12747	8.9
205.12256	10.2
211.11217	2.6
217.12256	3.0
219.13774	9.5
229.12247	4.0
235.13263	2.4
247.13254	5.0
265.14337	100.0
427.19666	1.3
498.24744	0.7
603.10968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.1
60.63904	0.6
64.35674	0.5
68.98837	0.6
69.03439	1.1
69.07073	0.6
70.06601	86.8
71.53615	0.6
72.07756	0.8
72.08163	23.8
74.02403	0.5
84.08141	5.1
85.02903	2.5
86.09713	46.5
94.77046	0.7
97.02884	0.8
98.06078	5.2
98.06596	0.7
107.08585	0.7
110.07183	0.8
112.07634	0.6
114.09255	0.7
115.03930	0.9
115.08680	7.7
120.08084	0.6
124.11253	0.8
124.51695	0.5
126.05478	1.0
130.08655	1.0
133.05008	0.6
136.07613	1.4
137.07149	4.4
138.12796	9.8
141.10191	0.6
165.05557	1.0
165.07922	0.6
165.09146	3.9
165.13908	1.3
167.07028	10.2
167.11865	0.7
169.13351	7.9
179.11896	1.3
180.12607	2.7
181.13431	1.3
182.08191	1.4
182.14212	0.7
189.09047	1.3
191.11853	3.0
193.08621	4.5
195.13716	0.7
197.12869	5.4
202.12308	9.4
209.12831	10.0
209.16461	0.8
211.09703	3.5
215.06937	0.8
231.10127	7.2
248.12798	14.6
262.19299	0.6
264.20688	5.6
265.15527	3.0
268.10089	0.6
275.13953	1.2
290.18692	1.3
293.14911	0.8
295.10300	0.8
295.16702	1.3
306.99408	0.6
308.19681	30.1
308.23111	1.2
321.14639	2.2
361.21292	2.4
388.22482	0.9
406.23376	4.1
420.36005	0.6
434.22815	4.6
489.27176	1.1
503.28836	7.3
590.96082	0.7
602.25330	3.4
602.35565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02052	2.1
51.07411	2.2
54.58094	2.1
56.89296	2.9
57.67532	2.5
66.62373	2.5
67.05511	6.0
69.07084	2.6
76.02223	16.0
77.89848	2.7
78.03751	2.9
79.05516	8.8
79.12257	2.3
81.07053	18.5
81.12568	2.6
84.04509	2.8
87.18393	2.4
88.02234	2.5
91.05479	3.8
93.07058	24.2
95.08601	15.4
101.78643	2.6
105.07063	4.9
107.08589	21.6
109.10162	3.2
116.01691	28.8
119.08602	6.6
121.10151	17.1
130.05045	3.3
133.10117	12.1
135.11688	19.5
142.03233	11.4
144.01141	14.4
145.10161	3.2
147.11665	12.9
149.13316	16.8
153.89413	3.0
159.11720	3.7
159.86308	2.7
161.13263	6.1
162.02213	39.1
163.14732	2.6
173.13232	4.0
194.51245	2.9
198.06000	2.7
201.48383	2.6
207.13806	4.5
210.09448	2.8
222.73906	3.0
275.20071	16.5
277.21683	41.8
291.17920	3.2
309.18839	3.0
370.24084	25.2
455.25751	6.0
473.26770	49.0
602.30939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.6
56.13390	1.5
57.54374	1.5
59.56551	1.7
61.61693	1.6
63.37955	1.8
66.48528	1.6
67.05494	8.6
69.04894	1.7
69.07063	9.3
70.27666	1.8
74.00660	2.8
76.02226	18.1
79.05488	18.2
81.07067	19.2
83.08625	2.5
84.04492	6.9
86.99012	1.9
89.92496	1.7
90.30786	1.7
91.05465	4.1
93.07053	24.5
95.08612	18.3
97.10180	2.2
105.07023	11.5
107.08602	29.4
109.10152	9.1
116.01692	21.7
117.07022	2.2
117.10017	1.9
119.08576	10.1
120.08070	3.5
121.10130	22.7
123.11670	2.6
130.05016	7.3
131.08571	4.6
133.10127	14.9
135.11673	33.9
142.03261	7.6
143.08565	2.2
144.01187	14.0
145.10120	4.6
147.11674	13.1
149.13245	18.7
159.11700	7.6
161.13284	4.0
162.02165	31.7
171.11632	3.7
173.13211	3.7
175.14842	1.9
179.04854	3.8
204.88986	1.9
207.13820	3.2
213.16444	2.3
224.16545	2.6
235.16986	2.8
241.19576	2.8
259.20602	9.2
272.34277	1.8
275.19882	2.4
277.21622	51.9
292.64624	2.0
293.08011	1.7
295.22736	1.9
307.17200	2.4
348.28003	2.1
365.04257	1.9
370.24255	13.3
438.22986	3.5
455.25812	8.8
456.24533	3.4
473.26724	62.9
527.27960	4.5
602.31024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.3
57.03190	1.6
57.03448	28.4
60.54022	0.9
60.54898	0.8
61.02937	13.6
64.36960	1.0
69.03440	44.3
69.07082	27.5
69.68504	1.1
71.01351	2.2
71.05002	1.4
73.02927	65.6
77.79325	1.0
79.05492	1.3
81.03439	9.0
85.02914	100.0
87.04479	4.1
91.03954	4.9
97.02902	97.6
99.04466	5.9
103.03941	1.3
109.02879	10.0
111.11760	8.2
115.03933	58.9
127.03922	32.4
132.06544	1.6
133.04987	7.6
145.04977	29.2
163.06027	18.2
167.06985	1.4
172.31334	1.4
223.06032	6.0
225.14833	1.6
241.07176	9.2
243.15924	2.2
259.08148	16.3
277.09116	1.2
295.10251	55.8
320.92374	1.1
325.11429	14.5
407.24094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00474	0.9
53.11015	1.0
55.01880	2.2
55.05523	4.3
57.03229	1.0
57.03446	16.1
59.05002	2.7
59.14285	0.9
60.81140	1.1
61.02929	2.3
67.05489	1.0
69.03437	68.1
69.07072	37.6
70.26661	1.1
71.04984	1.8
73.02920	7.0
74.00661	1.5
81.03427	8.6
83.04977	2.0
84.04504	7.6
85.02910	68.4
85.04010	2.0
87.04472	50.7
87.53795	1.1
91.03924	1.2
92.01713	1.6
93.07044	1.3
95.08605	2.3
95.86156	1.0
97.02898	68.2
99.04459	12.3
103.03947	1.5
109.02905	1.7
111.04525	1.2
111.08039	1.3
111.11718	12.4
113.03485	1.5
113.32016	1.1
115.03931	92.4
117.05489	10.5
125.02364	1.8
127.03934	16.8
129.06613	1.6
130.05005	9.9
130.65659	1.0
131.04530	6.8
133.04971	66.4
145.04976	22.0
153.12767	1.1
163.06024	9.3
167.07037	1.5
170.09637	6.9
177.03304	24.5
201.03810	5.4
203.05382	1.6
209.09572	1.2
215.05251	1.9
217.06802	4.2
229.06927	2.0
233.09669	1.5
241.06825	100.0
243.08452	6.9
243.15755	9.6
253.06836	3.8
255.08374	2.2
259.08105	16.8
267.08377	28.3
269.10016	1.4
276.15137	2.7
277.09229	3.9
292.09341	1.3
293.10037	1.6
294.10641	4.2
295.10245	27.4
295.16946	1.6
309.13025	9.2
325.11462	9.0
327.14276	12.7
334.56430	1.3
335.14600	2.4
352.17007	1.2
353.15570	2.2
370.18414	6.0
402.35135	1.1
455.19769	1.3
455.68695	1.2
473.14526	2.3
473.21094	51.6
473.27328	1.9
499.22379	1.5
508.31238	1.2
527.22180	11.5
602.25134	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
67.76889	0.2
72.57304	0.2
73.48238	0.2
75.12701	0.2
80.04828	0.2
85.02927	0.4
107.04958	0.5
113.58501	0.2
121.06514	0.2
123.04430	0.3
135.83020	0.2
149.06001	0.4
152.04657	0.2
161.05966	0.9
167.07033	100.0
179.06996	0.2
181.08633	1.3
193.07011	0.3
193.08618	4.1
211.09650	20.7
213.11298	1.3
233.39542	0.2
251.64737	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12387	0.3
57.93386	0.3
60.30833	0.3
60.71344	0.3
65.42159	0.3
79.05486	0.8
85.02895	0.6
88.66664	0.3
97.02909	0.4
103.05471	0.7
105.07024	1.4
107.04964	6.1
107.12279	0.3
121.06511	1.6
123.04414	0.6
123.08072	0.5
124.05172	0.3
124.79669	0.4
129.53067	0.3
131.04916	6.3
131.08577	0.3
133.06511	3.7
135.08063	1.4
137.05968	2.8
140.81873	0.3
143.04955	0.3
145.06480	2.6
147.04436	1.6
149.05943	0.3
151.07555	2.7
157.06537	0.4
159.08029	0.7
161.05971	8.5
163.03867	0.3
163.06412	0.4
163.07536	16.2
167.07033	100.0
169.06458	0.3
173.05974	2.1
173.09612	0.7
175.01653	0.3
175.07516	2.2
177.09160	0.7
179.07059	1.7
181.08600	5.0
187.07600	3.2
189.09077	0.4
192.07976	0.3
193.08600	18.2
193.60071	0.3
195.10095	0.4
201.09091	3.0
205.08540	1.1
207.10210	1.5
217.08598	1.3
219.10136	2.6
231.08107	0.4
233.11754	3.0
237.11110	2.4
251.12759	0.7
263.10724	1.5
291.10184	1.5
295.13181	0.7
323.12839	1.5
355.15399	5.5
387.18106	7.9
405.19083	46.5
423.20154	11.4
602.27808	0.6
623.80792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62970	1.0
62.04446	0.9
65.85873	0.9
69.07066	1.2
74.00710	1.3
74.10085	0.9
84.04517	8.6
85.04037	3.9
91.68531	1.0
92.01705	5.5
111.08083	1.4
113.03498	1.3
129.06635	1.7
130.04985	12.4
131.04536	9.9
145.06087	1.1
170.09589	2.5
173.74919	1.1
177.03287	28.1
186.09018	1.4
187.09525	1.6
201.03735	4.1
203.05099	1.1
209.09669	4.2
215.05286	4.3
217.06799	2.3
227.05269	1.1
229.06844	1.9
234.10527	1.3
236.12010	1.6
239.05302	1.6
241.06818	100.0
243.08401	6.2
253.06773	4.0
255.08366	5.3
267.08389	28.7
269.09982	2.1
276.15039	3.4
279.08435	2.3
281.10269	1.0
294.10736	4.4
295.16895	1.8
309.13068	12.3
325.12704	2.2
327.14175	13.5
335.14621	8.6
353.15555	5.2
370.18356	9.6
473.21075	45.5
527.22021	10.0
602.25433	47.4
602.37610	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	602.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
55.05508	0.7
57.03422	1.7
61.00502	0.8
69.03438	11.7
69.07076	5.6
71.04984	0.9
73.02890	1.6
76.03994	0.9
81.03395	1.5
84.04517	6.3
85.02906	16.0
85.03997	4.1
87.04466	7.1
92.01656	4.8
95.08588	1.3
97.02895	15.7
99.04402	1.3
99.05566	0.9
103.03765	0.9
109.10165	1.5
111.08031	1.7
111.11678	1.8
113.03436	0.9
115.03929	15.5
117.05447	1.6
127.03871	3.2
129.06573	1.9
130.05028	7.1
130.05771	0.8
131.04521	6.7
133.04189	0.8
133.04964	12.4
144.08014	3.7
145.04877	5.0
160.00578	1.0
163.05948	1.3
170.09630	12.0
170.13971	0.9
171.10431	3.1
177.03270	23.2
201.03656	3.5
202.14650	1.0
203.05243	1.1
209.09645	1.9
210.10435	1.1
215.05159	3.4
217.06769	4.5
226.04216	1.0
227.05321	1.0
229.06831	1.2
231.04311	1.4
234.10303	1.8
235.11041	1.0
236.11957	1.0
239.05142	1.6
241.06807	100.0
243.08331	4.5
243.15771	1.3
253.06644	4.8
255.08270	1.9
259.08044	4.0
265.06601	1.4
266.07526	1.0
267.08371	28.6
269.09766	1.8
276.14914	4.4
279.08292	1.8
292.08868	1.2
293.09995	1.0
294.10645	3.4
295.10217	6.7
295.16852	3.5
309.13135	9.6
311.18582	0.9
321.82413	0.8
325.11420	0.9
327.14102	14.1
335.14545	7.4
353.15598	4.6
370.18353	8.5
375.65106	0.8
448.32495	1.0
473.14838	1.6
473.21082	44.7
527.22028	12.2
602.24817	46.4
608.77405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54587	0.6
66.02682	0.7
69.03426	3.5
81.03424	0.9
84.13358	0.7
85.02913	6.4
86.09725	1.0
91.05481	1.5
96.88415	0.7
97.02899	3.1
99.04467	1.1
103.05467	4.4
104.21426	0.9
119.04962	5.0
127.03947	5.0
131.04932	25.9
133.06480	0.9
137.05989	61.1
145.04987	4.7
147.04417	12.3
149.06038	1.4
151.07547	11.6
157.06609	0.9
160.30502	0.8
161.05997	2.8
162.06764	3.3
163.07536	37.7
165.05469	15.1
165.09125	1.6
167.07045	12.1
175.07553	3.0
177.05492	5.3
177.09071	1.0
179.07033	100.0
181.08594	4.1
183.06526	3.0
189.09091	1.8
191.07047	5.1
193.05035	1.0
193.08586	5.3
195.06587	0.9
197.08081	7.4
203.07036	3.5
209.08179	3.2
210.08920	1.8
211.09592	0.9
221.08107	3.3
223.09738	4.3
225.07573	89.6
227.09187	3.5
235.09665	0.9
239.09084	0.9
263.09116	4.0
263.53302	0.9
275.09204	1.7
281.10251	1.7
285.11322	1.0
299.12775	1.0
309.11279	0.8
315.12509	0.8
323.11359	1.8
341.12238	12.3
355.11728	18.8
361.16434	9.1
370.09619	0.8
371.14987	1.0
387.14438	12.9
389.15970	13.1
402.90378	0.8
430.84381	0.9
432.63916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50388	0.4
82.75820	0.4
91.05465	1.1
109.06539	0.6
119.04953	3.8
131.04921	1.1
133.02870	0.7
135.13731	0.5
137.05975	13.2
144.08086	0.6
147.04430	5.7
151.07539	4.9
155.07019	0.7
161.06015	0.6
163.07562	0.9
165.05473	9.4
167.07007	2.8
170.09679	1.0
177.09196	0.6
179.07033	57.4
181.08516	0.4
183.06505	2.0
193.04924	1.9
193.08667	0.8
195.06564	0.7
197.08109	5.2
209.08177	0.6
225.07579	100.0
263.59549	0.5
322.95804	0.6
330.82294	0.5
339.91422	0.5
344.14026	0.6
355.11728	3.0
387.14478	3.3
514.98730	0.6
544.73218	0.5
602.25623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09434	0.3
61.02916	0.5
79.05515	0.4
85.02905	3.6
93.03399	0.6
97.02905	0.7
103.05469	0.9
106.04175	1.8
107.04937	2.1
121.06523	4.0
125.05978	0.9
127.03939	0.8
131.04941	3.2
133.06490	1.0
135.04398	0.8
137.05952	0.8
149.05974	14.3
151.07568	0.7
153.05476	0.9
153.09132	1.8
160.05144	0.5
161.05969	82.4
163.07527	2.5
164.75534	0.4
167.07025	24.4
175.07515	9.7
177.05463	7.5
179.06976	3.6
180.07576	3.5
181.08598	3.5
188.04570	0.6
191.07022	10.9
192.07825	6.0
193.08611	2.2
195.06476	4.1
203.07028	100.0
205.08624	2.9
209.08063	8.9
215.07002	1.0
219.07985	0.4
221.08075	40.2
223.07469	0.7
233.08076	18.8
237.09206	0.7
251.07054	1.8
255.10320	0.5
265.08569	0.9
267.09882	0.4
277.08432	0.6
283.09644	4.2
293.07855	0.6
295.09497	1.8
297.11108	3.2
302.82153	0.5
307.09485	1.0
315.12207	7.4
324.10037	0.5
325.10684	5.6
327.12296	4.2
337.10690	0.6
339.12149	0.5
355.11804	2.9
357.13309	19.4
369.13321	6.6
375.14374	32.0
377.77185	0.5
387.14334	11.7
405.15347	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	602.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72188	0.4
65.74697	0.3
68.77465	0.4
72.08154	0.6
75.64960	0.3
84.08131	0.7
85.02882	0.5
88.26463	0.4
91.05483	1.6
92.25687	0.5
97.02904	0.4
103.09305	0.4
107.04919	0.7
108.61885	0.4
119.04933	2.9
121.06490	0.6
131.04945	2.2
133.02844	3.0
133.06511	0.8
135.23833	0.5
137.05991	14.2
145.02715	0.4
147.04453	5.4
151.07570	6.0
155.07112	0.6
161.05971	2.4
163.03902	2.0
163.07518	3.4
165.05479	10.0
167.07034	14.1
179.07028	61.2
181.08641	0.7
183.06511	2.2
187.07581	0.6
191.06978	0.5
193.04977	1.0
193.08600	3.9
195.06563	1.7
197.08116	6.2
199.77840	0.4
218.63409	0.5
220.09698	1.7
222.11194	1.6
225.07579	100.0
227.09193	1.7
264.71542	0.4
302.75369	0.4
355.11707	1.7
356.63315	0.5
375.14474	2.5
387.14206	2.5
387.18420	0.9
405.19247	6.4
423.20258	1.7
429.94614	0.4
508.01077	0.4
602.28461	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	602.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	1.0
60.08174	13.9
66.89210	0.9
70.57124	1.0
72.08162	1.1
77.47873	0.8
78.03809	1.2
85.02911	1.1
88.29063	0.9
95.87617	1.0
100.02221	1.3
103.16473	0.9
105.07044	1.4
108.54429	1.1
113.06042	1.0
120.08132	1.0
123.04406	4.9
126.02489	1.2
127.03252	34.5
145.04312	19.2
149.06009	1.7
155.02658	0.9
161.05975	6.0
165.05510	4.1
167.07042	100.0
181.08572	4.6
185.09846	1.5
186.10667	6.8
187.05356	1.5
193.08624	10.1
198.10666	1.6
210.08803	1.3
211.09659	1.6
211.11430	1.2
242.08530	1.9
254.72292	1.0
271.07486	1.3
289.08395	1.3
337.12112	6.2
383.51144	1.4
387.14423	1.1
396.19479	14.9
396.23825	1.3
431.66525	0.9
438.64194	1.0
440.18527	16.0
469.42331	1.2
523.34430	1.1
558.24829	45.7
602.23804	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93197	0.4
58.06596	1.0
62.43291	0.5
63.17899	0.4
91.85151	0.7
104.99737	0.5
136.07571	0.6
159.06693	0.5
160.07574	37.2
161.08318	0.9
170.09669	1.2
174.09163	9.5
186.09148	100.0
187.09926	35.7
188.10684	1.1
198.09195	1.3
200.10735	5.8
201.11523	2.5
202.10857	4.1
203.11841	4.9
204.12569	0.6
212.10718	0.9
214.12265	2.5
215.11726	4.5
217.13345	9.7
218.14151	26.6
219.15044	0.6
226.12358	2.2
228.13878	1.0
229.13400	3.0
232.15723	2.3
242.15596	1.8
254.57852	0.5
257.16455	1.1
271.18033	1.3
285.19617	30.2
317.18500	4.5
368.20932	2.1
384.24045	2.3
385.24750	0.9
392.94647	0.6
586.34833	2.0
601.37500	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38352	0.6
55.35004	0.6
58.99581	3.2
60.34298	0.7
70.02956	3.9
72.07751	0.9
72.08158	26.9
76.02227	0.7
76.04009	1.6
84.04509	3.9
89.10783	4.6
99.05567	4.2
102.05547	1.0
109.07637	11.3
109.61198	0.8
110.06046	0.9
114.09128	1.3
116.01684	3.8
116.03439	1.0
124.03951	1.0
129.06622	2.9
130.05013	1.3
133.67584	0.8
136.03946	2.6
142.03088	0.8
145.06064	19.4
152.01633	3.3
153.06627	3.5
153.84456	0.8
155.08154	21.6
162.02161	1.4
167.01653	3.0
168.05200	1.0
177.99670	1.3
178.05011	4.6
179.03235	0.8
180.01193	1.2
181.06070	6.5
187.05466	0.9
194.02728	1.7
195.01106	4.3
199.07127	5.7
204.01161	4.0
204.99556	1.2
206.02533	1.1
206.04488	31.6
207.02885	5.9
211.07158	18.7
215.04834	1.6
222.02217	6.1
223.00569	8.8
224.05522	21.9
224.07628	0.9
232.00679	1.7
236.03752	3.3
237.02226	1.0
238.96344	0.9
240.03203	5.3
240.13504	1.2
241.01752	2.7
248.05539	2.6
250.01620	1.3
252.06973	1.3
256.09344	3.4
264.03207	13.9
265.01611	1.4
281.02426	0.9
282.04297	23.7
294.08093	1.3
307.03748	0.9
310.03784	8.7
311.10611	0.8
312.09039	4.1
315.38007	0.8
329.11694	4.4
343.06024	3.2
349.90067	0.7
385.06964	5.3
473.17038	43.6
477.43756	0.7
527.18182	0.9
539.17285	0.8
584.20215	15.1
602.21283	100.0
610.97241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45261	0.2
54.53177	0.2
58.06573	0.4
59.73742	0.3
62.84597	0.2
64.66679	0.2
83.16363	0.3
84.59521	0.3
102.61609	0.3
104.88826	0.2
144.08087	12.6
145.08875	0.6
150.95189	0.3
170.09644	59.9
171.10425	32.9
201.13869	1.3
202.14658	77.2
249.11230	0.7
250.11575	1.2
301.19110	100.0
315.20663	9.5
601.37518	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	601.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	3.8
60.08176	3.4
68.77345	1.6
72.08151	2.2
80.14098	1.7
86.09722	1.7
92.18362	1.9
105.07030	3.9
131.04927	3.4
144.08170	2.3
146.06088	1.6
148.07570	1.6
151.03876	14.6
153.68285	1.6
160.07562	30.4
170.09613	2.9
174.09123	8.6
177.13762	1.9
186.09151	100.0
187.09911	36.8
200.10728	3.5
203.11824	2.5
217.13388	8.7
218.14142	26.0
225.09212	3.5
229.13266	1.9
232.15627	1.8
233.12817	3.2
279.17902	2.7
285.19672	22.7
309.19638	9.6
347.67661	1.7
601.37756	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
60.04532	0.4
65.03928	0.5
67.05510	0.9
70.06599	5.0
72.04523	2.6
72.08157	5.6
80.05016	0.5
81.03419	0.4
81.07048	0.8
83.04990	3.4
84.08152	32.4
85.49129	0.3
91.05473	0.5
93.03391	0.7
93.07051	1.4
95.04971	0.5
95.08676	0.5
98.06058	1.3
98.09692	0.9
107.08553	0.6
109.06420	0.4
109.77097	0.4
111.04459	4.1
112.07594	1.5
114.09174	36.7
115.08694	0.9
121.02876	5.6
121.10184	0.5
123.08071	0.5
125.10735	0.7
127.08677	2.5
131.08556	1.2
131.11838	1.4
134.09648	1.4
139.03929	1.6
143.11809	35.7
148.11261	1.7
149.09584	1.3
157.09764	1.5
157.13429	0.6
163.03818	0.6
173.14029	0.7
181.04909	0.4
183.15703	0.4
193.13377	3.3
202.15973	1.4
203.53944	0.3
226.15553	0.4
238.18033	1.4
239.15048	1.7
256.19025	0.5
261.19736	0.6
263.17395	0.4
264.16016	0.4
279.20761	0.6
297.21823	0.7
300.29025	0.3
315.22662	1.3
333.23782	0.4
375.25992	0.6
513.29333	1.8
598.97430	0.5
601.30829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24869	0.3
67.05531	0.4
68.51074	0.3
70.06596	3.1
72.04514	2.4
72.08170	6.2
79.05496	0.6
82.84944	0.4
83.04992	3.1
84.08153	44.6
85.17229	0.4
86.88248	0.4
87.07990	0.4
93.03423	0.5
95.05019	0.4
107.29140	0.4
111.04447	4.9
112.07616	0.9
113.10767	0.6
114.09177	40.7
115.08710	1.7
121.02876	5.6
125.10759	0.7
126.06680	0.7
126.10131	0.4
127.08715	1.7
131.08588	2.1
139.03929	0.9
143.11810	60.7
148.11253	2.4
149.09604	1.5
156.11385	0.8
157.09721	2.5
173.12813	1.4
173.14079	0.7
175.04034	0.5
176.40761	0.4
180.11305	0.6
190.13441	0.5
198.12413	0.5
207.06613	0.5
215.13976	0.4
227.86649	0.4
239.15022	7.0
245.16748	0.4
257.16119	2.3
285.05032	0.4
303.21881	0.6
321.22943	0.4
335.20874	0.7
339.23691	0.4
483.20844	2.3
484.19025	0.6
495.28125	0.7
501.22174	2.6
503.25964	0.5
541.27393	0.4
583.29559	2.8
601.30841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3028
Annotation	Scutianine J
Peak:m/z	Relative Intensity
58.06605	1.2
70.06596	9.9
72.08159	8.7
76.06522	0.5
84.08145	7.2
85.72066	0.5
98.09692	0.8
101.10777	0.7
105.03391	12.2
106.43642	0.5
110.09620	0.6
112.11234	7.8
117.26788	0.6
129.13892	3.8
145.02849	0.9
151.02422	0.5
155.11711	0.7
162.09158	1.2
163.03899	27.8
220.09676	34.9
240.10252	0.9
252.10165	8.6
256.80063	0.6
266.10684	0.6
280.11993	0.8
294.11215	3.6
301.93512	0.6
309.12326	24.2
323.13870	1.9
336.11328	1.3
349.15607	2.5
351.13318	0.7
351.17126	2.0
365.18600	4.9
382.21170	0.6
393.16968	2.1
395.15961	1.2
408.19202	4.6
422.24493	4.1
439.27094	4.3
464.21573	0.7
465.24799	0.6
479.26648	2.8
481.24701	4.2
496.26715	7.1
565.86011	0.5
601.30194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3032
Annotation	Scutianine J
Peak:m/z	Relative Intensity
50.13003	0.6
58.06589	1.7
70.06602	9.4
72.08162	22.2
73.41128	0.7
76.96172	0.9
81.07072	1.2
84.08154	6.6
91.05495	0.7
98.06049	0.8
100.07638	3.4
109.64720	0.7
110.09728	1.2
112.07609	3.2
112.11237	9.0
119.08498	0.9
129.13922	1.8
137.09581	0.8
144.08116	1.2
147.11873	0.8
155.11772	1.6
162.05597	0.8
163.03874	1.3
167.07033	3.0
170.09618	8.4
171.10399	1.6
177.77144	0.8
192.06560	4.1
202.14627	1.1
219.08080	1.0
234.07332	0.7
237.09114	4.0
250.08682	1.2
251.09424	1.2
252.10155	3.2
261.12427	1.5
265.08585	1.0
278.08276	1.5
291.11545	1.5
292.09897	0.9
318.13596	1.5
322.14450	3.8
324.11993	0.8
349.15564	1.4
370.14606	0.9
372.12329	5.2
386.13919	1.8
396.12161	1.7
413.15045	4.4
414.13266	12.6
428.14743	1.3
455.15985	1.5
456.14627	1.2
471.19266	1.1
485.21033	0.9
512.22009	2.8
513.20282	4.0
583.29065	1.0
584.27698	1.5
601.30194	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2883
Annotation	Jatamanvaltrate C
Peak:m/z	Relative Intensity
50.11481	0.3
50.11722	0.3
52.59948	0.3
55.05517	0.4
55.73427	0.4
57.52471	0.3
58.06599	0.4
58.78313	0.4
61.11471	0.4
62.01745	0.3
68.05027	0.7
70.06599	100.0
72.08162	10.3
84.08165	3.2
85.02905	0.4
86.09736	0.6
94.06622	0.4
98.06096	1.6
98.09723	0.9
100.07620	3.8
102.81382	0.3
108.95634	0.4
109.02882	0.4
110.09692	17.5
112.11253	0.7
123.04441	10.1
127.04013	0.5
127.12309	2.8
137.05952	0.4
153.10265	1.9
155.11841	1.8
157.74673	0.5
162.05510	2.3
163.03926	5.0
164.04330	0.6
164.06989	0.4
165.05493	12.0
183.28996	0.4
188.07140	0.9
190.04980	6.0
192.06659	0.4
202.05095	0.5
204.06595	1.7
216.06612	3.8
216.20860	0.4
218.04466	3.8
220.09785	2.3
221.10060	0.6
222.07677	2.2
222.11273	35.5
232.06026	3.9
234.07632	13.1
234.11232	0.6
236.12833	5.6
244.06145	2.3
245.03329	0.4
250.07091	4.0
257.12900	0.4
259.07175	0.7
260.05518	3.8
262.07120	0.8
271.10934	0.4
273.08801	0.6
274.07208	3.6
276.08667	8.3
289.11896	1.5
291.16971	3.4
293.18628	0.9
299.10297	0.8
300.11142	0.6
301.11890	0.5
317.11349	13.6
317.14978	0.8
321.14542	0.7
331.13022	0.9
333.14465	4.6
347.16071	1.8
349.13928	6.0
350.17212	1.9
360.30771	0.4
370.17429	0.6
402.20175	4.4
551.24768	0.7
552.45923	0.4
583.27502	11.6
601.28717	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25397	0.8
67.80415	0.8
69.26224	0.9
75.88740	0.9
78.27404	1.0
78.44033	1.1
79.05464	1.1
80.71549	0.9
84.41331	0.9
98.88377	1.0
107.04970	5.0
131.04932	1.9
134.65358	1.0
140.04707	5.3
153.05505	2.0
153.13857	1.2
155.07033	6.8
166.10913	1.0
167.07040	38.6
171.14919	2.4
173.05884	1.6
181.05034	2.0
186.09198	2.0
187.66344	1.2
191.07024	4.2
191.10388	1.0
199.14398	11.8
201.05475	84.8
203.07043	1.4
213.05464	35.0
219.08136	1.7
229.06519	1.2
231.06552	17.7
235.07504	2.3
246.06644	1.2
247.07579	5.3
257.06100	1.9
263.07144	6.4
264.07837	5.4
265.08609	5.0
267.10342	1.4
274.06244	4.4
275.07053	7.8
276.07910	2.0
277.04919	1.2
279.10110	4.7
288.04153	2.0
289.05112	1.1
289.08536	3.8
291.06564	1.7
291.09875	1.3
292.07294	15.5
295.09674	2.4
302.05765	6.2
303.06528	37.9
304.07486	2.0
305.04504	6.0
306.08676	2.1
307.09653	17.7
308.06665	1.1
309.07614	1.5
317.08118	4.8
320.06784	33.2
323.09119	4.8
324.10037	1.7
334.08194	1.3
335.09128	68.1
337.06976	2.4
339.12146	1.8
352.09460	2.3
355.11694	9.2
367.11777	100.0
371.02640	1.2
385.12781	59.0
385.17719	2.3
601.26703	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	601.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	24.2
58.67813	5.1
60.13383	4.9
61.02921	7.4
61.38879	5.1
67.05511	58.8
69.03419	30.7
69.04014	6.5
70.06577	21.5
73.02917	47.6
81.07098	6.2
83.08578	7.4
84.08125	8.1
85.02909	63.3
85.06549	8.4
85.18991	5.0
92.17891	10.1
97.02893	66.8
109.10158	100.0
115.03925	37.2
127.03914	28.2
127.11182	47.8
131.11522	5.7
133.10123	5.5
137.11632	5.9
145.04955	26.0
174.22144	6.8
175.03806	5.4
234.12439	6.1
259.08078	8.7
295.10217	28.6
325.11130	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	601.2711
Annotation	Ilicifolioside B
Peak:m/z	Relative Intensity
50.56908	0.8
51.97232	0.8
55.01888	1.0
57.03444	16.6
61.02942	6.8
67.05515	44.3
69.03442	24.7
71.04981	0.9
72.08159	1.1
73.02922	45.4
81.03423	6.3
81.07064	4.4
83.08621	7.4
85.02911	63.7
85.05382	0.8
85.06549	20.1
86.82462	0.8
91.03947	3.6
97.02898	60.3
99.04457	3.9
109.02922	7.3
109.10165	100.0
115.03934	35.2
127.03915	22.6
127.11201	49.9
133.04967	6.8
145.04968	22.9
163.05957	7.0
204.71350	1.0
215.68089	1.1
223.05995	2.2
241.07091	8.1
259.08151	10.9
259.15399	1.3
262.95102	0.9
289.16351	1.6
295.10272	33.9
307.17453	1.3
311.81485	1.0
325.11179	11.2
582.78809	1.1
601.28381	1.4
618.88092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67265	0.5
72.08116	0.5
86.09711	0.5
148.11169	0.5
163.03891	0.7
170.09698	0.5
181.08942	0.5
206.11758	1.1
209.73012	0.4
237.13814	0.5
255.11214	1.1
257.09164	0.6
265.13354	39.1
266.14090	1.8
267.15079	0.6
283.14413	100.0
285.16034	2.3
299.10428	1.1
317.11249	4.6
353.23239	0.5
397.46631	0.5
510.91553	0.5
557.32953	0.6
583.25592	0.8
601.26453	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	601.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28491	3.7
76.86582	5.0
83.42154	4.5
122.09669	100.0
126.67808	4.1
126.70360	4.0
136.07584	6.4
150.09137	10.8
202.41997	5.2
268.85172	4.2
273.50800	5.8
317.11526	5.8
415.83591	4.6
452.18164	9.0
515.50787	5.3
528.47644	5.6
573.27368	7.7
601.26849	30.3
601.35260	4.7
624.78363	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	600.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	60.8
69.07073	3.6
71.08649	33.7
73.06544	4.6
75.59254	3.8
83.08598	4.9
84.12138	3.9
85.10193	28.9
89.06026	100.0
111.11746	4.7
133.08615	37.4
143.39120	3.9
171.19951	4.3
177.11238	9.5
221.13817	4.5
297.17569	4.1
301.27466	5.2
415.25281	6.3
454.60785	4.3
477.44586	4.1
583.44226	86.5
600.47144	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
57.07087	47.5
59.71677	1.2
69.07059	5.1
71.08636	39.4
73.06561	6.8
83.08624	2.1
85.10197	23.1
87.04500	9.0
89.06039	100.0
97.10193	5.1
99.11749	2.1
105.77214	1.2
111.11781	1.6
117.09114	5.3
133.08618	36.5
168.58113	1.2
176.46048	1.4
177.11171	11.1
201.96814	1.2
216.87471	1.6
221.14021	2.2
257.24890	5.6
301.27393	8.7
354.84399	1.2
356.01419	1.4
415.25461	11.1
495.39154	1.8
530.83246	1.3
539.41687	1.6
583.44183	57.0
600.47009	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	600.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35220	0.4
55.05507	0.6
57.03448	20.5
61.02930	4.2
67.05505	2.9
69.03439	3.9
69.07055	2.5
70.06598	4.9
71.04990	0.8
71.08597	0.5
72.08148	1.1
73.02959	0.6
73.72185	0.5
75.04487	0.6
78.44695	0.5
81.03420	2.9
81.07075	4.6
83.08633	3.3
85.02917	11.7
86.09707	1.1
87.00839	3.5
95.08616	8.3
97.02908	4.8
97.06516	1.2
97.10182	2.6
99.04462	2.7
105.01894	3.9
107.08601	2.4
109.02868	4.9
109.10165	7.9
111.08092	0.8
117.05502	100.0
118.19748	0.5
119.02255	0.6
119.08576	1.2
121.10158	0.9
123.11711	3.4
127.03918	9.4
133.10144	3.1
135.11655	0.6
135.49178	0.4
145.04979	1.1
147.02803	0.6
147.11722	1.1
159.02902	2.6
163.14754	0.6
165.16374	1.7
167.07068	0.5
177.05443	1.0
183.17384	0.7
189.16393	3.7
201.18425	0.7
207.17505	1.1
223.05678	0.5
234.11243	0.6
299.22394	5.5
317.23279	42.5
365.10883	3.2
431.23050	0.6
529.26465	0.9
547.27814	3.5
551.23834	0.5
565.28619	13.5
582.31775	0.9
600.33557	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05499	1.4
58.46761	0.9
58.99593	16.2
67.05521	2.7
69.07059	4.9
71.04987	1.5
76.02236	100.0
76.04005	2.2
79.05502	2.0
81.07063	8.0
83.04990	1.2
83.08629	2.2
84.04503	10.7
86.26502	1.1
91.05489	2.8
93.07037	7.0
95.08603	5.8
99.05618	1.4
105.07079	8.5
107.04974	2.0
107.08585	7.2
107.30844	1.2
109.06514	4.3
109.10175	2.6
116.01682	30.3
117.07073	1.4
117.08011	1.1
119.08594	5.9
121.06510	2.4
121.10149	7.8
123.08077	1.6
124.23906	1.0
125.09619	1.1
125.10551	1.1
129.06595	4.8
130.04993	9.8
131.08601	8.4
133.10130	9.1
135.08043	2.0
135.11693	5.3
142.03198	9.7
143.08588	2.1
144.01157	25.9
145.10139	7.6
147.11740	6.4
149.09613	4.7
149.13269	1.4
151.11200	4.5
157.10121	2.4
159.11734	6.8
161.09625	1.8
161.13258	1.2
162.02202	84.5
163.11234	2.6
170.02728	5.2
171.11722	1.6
173.09587	1.7
173.13275	4.9
175.11160	1.9
179.04857	90.8
179.14189	1.3
187.05408	4.8
187.11087	1.1
189.12753	1.3
191.14235	1.4
197.13315	1.2
207.13806	6.1
215.04890	4.7
215.18039	1.6
219.13866	2.2
229.19276	1.5
233.05882	12.4
233.08026	1.3
239.18074	1.6
245.05942	2.8
247.20456	1.6
257.19028	6.4
264.82010	1.2
264.85699	1.1
273.18637	8.4
275.20062	43.6
291.06580	1.4
293.21143	16.2
298.15115	1.1
308.09119	42.9
368.22620	11.7
425.36502	1.2
453.24194	5.8
471.25110	9.3
573.27002	1.5
582.28314	1.9
600.29492	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	600.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
69.03403	0.8
69.07078	0.7
70.06583	3.4
70.75196	0.7
70.98947	0.6
72.08163	24.0
73.06544	3.1
81.03393	1.1
84.08150	3.4
85.02892	4.5
95.08586	1.3
97.02849	1.1
105.01855	3.2
109.02859	1.8
112.11265	1.5
114.09129	1.2
123.04443	12.5
127.03918	3.5
131.36462	0.8
137.13280	2.8
155.08511	3.2
155.14301	4.9
163.03883	3.7
165.05484	10.9
173.15385	6.3
231.05017	0.9
236.12796	12.2
249.07648	8.0
253.15553	0.8
263.07025	53.3
277.04965	3.3
280.56213	0.9
291.06570	12.2
293.08026	3.8
299.20209	1.1
301.75668	0.8
320.12787	52.2
334.10690	3.0
348.12045	42.7
368.43176	0.8
419.20044	1.0
600.27081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74620	0.3
51.39650	0.3
67.05493	0.3
68.99775	0.5
70.06594	0.6
72.08154	1.3
83.01302	0.4
84.08141	0.4
85.02921	2.6
91.05482	1.3
97.02855	0.5
104.16489	0.3
105.07011	0.3
107.04958	0.8
109.02923	0.4
109.10178	0.5
114.09171	0.3
119.04959	2.0
121.06553	0.4
127.03889	0.5
128.79897	0.4
129.06995	1.8
131.05005	0.7
131.08542	2.6
133.06526	0.6
135.04404	0.3
137.05954	1.3
137.09621	0.3
143.08563	0.4
143.11751	0.4
144.05682	0.5
144.08078	0.6
145.06500	0.8
147.04402	2.1
151.07555	0.6
155.10660	0.6
157.06485	1.5
159.08072	8.0
161.05945	1.3
161.09615	2.7
163.03914	3.0
163.07489	0.7
167.07051	1.5
170.09598	3.1
171.08109	0.7
171.10390	0.4
173.05984	0.7
175.07539	0.5
177.05475	0.4
179.07092	2.5
180.04135	0.8
187.07541	10.8
189.09126	4.6
195.06520	1.5
199.07510	0.7
204.07819	3.0
205.08481	0.5
216.07903	0.5
217.08521	0.6
219.10135	3.8
221.08167	0.5
221.11769	1.8
223.06013	13.0
231.10201	3.9
237.11263	0.4
249.11223	100.0
267.12314	7.6
279.73038	0.3
353.10278	0.6
385.12445	0.8
431.46375	0.3
443.13333	0.4
578.18646	0.4
600.28143	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	600.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60529	0.2
53.38633	0.2
70.06583	0.4
78.81182	0.2
82.96487	0.2
85.02905	1.1
91.66447	0.2
97.02919	0.3
104.57710	0.2
105.07023	2.1
107.04958	0.4
121.06490	0.2
133.06496	3.3
143.06007	0.3
149.05977	0.4
161.05975	8.8
163.03804	0.3
167.07031	100.0
179.06937	0.3
181.08588	0.9
193.06834	0.4
193.08609	12.1
204.18887	0.2
211.09651	16.6
220.09567	0.3
258.44882	0.2
302.72290	0.2
403.17456	0.4
600.27051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
60.05641	0.6
72.07803	0.9
72.08161	20.1
83.06052	0.8
84.04483	3.3
84.08141	1.0
84.62463	0.5
87.07978	0.7
97.07639	3.3
98.06062	4.7
100.08763	0.8
109.07693	0.9
114.09161	1.5
114.10289	26.9
115.08691	24.2
129.06584	5.5
130.04985	3.8
136.03928	1.0
145.06168	1.0
147.46043	0.7
153.06639	2.8
155.01663	2.5
166.09721	0.7
169.03166	1.2
170.05621	0.7
179.01627	6.6
181.06094	5.3
195.01129	6.9
197.02634	5.9
211.07048	0.7
221.02626	5.9
224.10379	0.9
257.07678	1.3
265.10059	1.1
266.08417	1.1
266.58679	0.7
267.11588	9.6
268.10019	27.1
285.12759	3.4
291.11707	2.8
292.10019	11.5
293.09494	1.5
294.16797	2.3
309.12878	2.6
310.12183	11.5
325.13217	1.4
327.14844	38.6
334.12219	2.3
335.10593	3.9
379.14120	1.4
420.46820	0.7
437.15164	6.1
471.20294	15.0
555.82147	0.7
582.23657	3.8
600.24457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
60.03635	0.5
66.60145	0.5
67.05499	0.8
68.99797	6.4
69.03421	3.3
79.05496	2.1
81.03416	1.0
85.02914	5.2
91.05475	12.5
95.04957	2.0
97.02870	2.2
103.05491	7.2
105.03394	0.5
105.07034	2.5
107.04960	3.6
109.02842	0.8
117.03381	0.7
117.06997	0.6
119.04931	13.1
121.02880	2.2
121.06501	2.2
125.05984	1.1
127.03931	2.6
129.07028	1.2
131.04932	30.1
131.05931	1.0
131.08574	0.6
133.06493	3.5
135.04407	5.0
137.05986	28.8
139.07536	2.8
145.02867	0.7
145.04933	1.2
145.06458	2.4
147.04405	15.4
149.05936	3.7
151.07512	6.5
153.05472	3.4
157.06471	0.8
159.08038	4.5
161.05974	7.3
161.09628	1.1
162.03134	0.6
162.06731	8.4
163.03883	22.2
163.07530	40.2
164.08286	0.9
165.05493	0.7
167.07040	5.3
173.05913	0.9
175.03951	0.8
175.07550	1.3
177.05469	6.1
179.05557	0.8
179.07040	18.4
180.04160	7.8
181.04996	1.0
187.07520	6.5
189.09102	3.4
191.07065	2.4
193.08563	0.8
195.06529	18.1
204.07819	2.7
205.04816	0.7
205.08598	0.7
207.06505	4.3
208.03783	0.7
208.07249	4.1
217.05037	0.8
219.10147	2.1
221.08153	5.5
221.46321	0.6
222.05231	2.0
222.15306	0.6
223.06009	100.0
225.07623	2.2
231.10162	2.2
237.07581	3.0
249.07521	3.0
249.11208	59.5
261.07709	1.1
261.85840	0.5
267.12201	3.7
269.08932	0.5
275.09174	0.8
279.08582	2.1
287.09088	0.8
302.81717	0.6
323.11340	2.3
341.12378	4.7
353.10190	21.3
353.14313	1.0
362.71649	0.6
371.11224	2.5
385.12805	13.0
387.14294	6.7
568.56213	0.6
607.76874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88614	1.5
67.84977	1.9
69.71967	1.5
85.02915	7.6
91.05481	3.6
93.03403	7.7
95.05000	3.1
98.70750	1.6
103.05456	7.9
106.04179	7.1
107.04961	3.5
119.04894	3.4
121.06488	14.2
123.04413	2.9
125.05997	8.6
131.04903	13.3
132.05699	7.0
137.05977	2.8
145.06441	2.1
149.05965	37.2
149.07127	2.1
151.07629	2.8
153.05463	22.7
153.09125	7.1
155.07021	6.7
159.07959	1.8
160.05183	7.7
161.06056	2.7
163.07539	9.7
165.05539	2.3
167.07037	71.4
173.05995	19.2
175.07570	6.9
177.05444	44.1
179.07054	12.3
180.07758	19.7
181.08620	15.7
182.09448	8.3
187.07463	2.6
189.05383	2.6
191.07019	36.1
192.07823	38.7
193.04945	10.2
195.06526	13.9
201.05457	28.1
203.07042	2.7
204.04175	29.9
209.08099	64.8
210.08922	2.2
219.06525	100.0
220.83324	1.6
231.06519	10.2
234.86372	1.9
235.07458	2.6
249.07542	48.2
249.11165	19.7
263.07095	2.7
295.09558	3.2
338.28503	1.8
341.13791	2.3
353.10269	9.5
355.11816	10.8
367.11703	2.7
373.12808	38.1
385.12775	31.0
403.13730	25.4
417.42764	1.7
458.54599	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36060	0.3
55.01867	0.6
55.35187	0.3
62.37385	0.3
65.03915	0.4
67.05495	0.5
67.87860	0.4
68.99793	4.8
79.05462	1.4
80.43491	0.4
85.02894	0.4
91.05472	10.6
93.03394	0.5
95.04935	1.7
100.49738	0.3
103.05460	0.5
105.03382	1.5
105.07013	1.8
107.04926	1.9
109.06583	0.5
117.03364	1.4
119.04931	10.7
121.02857	2.3
121.06471	0.7
123.07988	0.5
125.05978	1.4
131.04948	2.8
133.02808	1.5
133.06512	3.3
135.04446	3.4
137.05997	6.4
139.07544	0.6
145.02835	0.8
145.06477	0.6
147.04417	11.8
149.05972	2.1
151.07539	6.2
153.05455	2.6
161.05975	6.2
162.06744	6.0
163.02498	0.6
163.03886	17.6
163.07521	1.8
167.07059	3.5
175.07582	0.3
177.05460	3.1
179.07024	15.7
179.08577	0.6
180.04179	6.5
181.04951	1.4
191.07005	1.4
195.06523	12.5
205.05011	0.7
207.06615	1.3
207.11142	0.4
208.03717	0.6
223.06006	100.0
225.07732	0.5
231.06473	0.5
249.07542	2.0
261.07501	0.8
276.38519	0.3
277.08676	0.4
341.10333	0.6
353.10196	4.7
357.13232	0.9
371.11273	6.1
373.12720	1.6
375.14426	0.5
385.12872	5.8
403.13934	1.4
449.38101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	1.4
65.35772	0.4
70.81729	0.3
72.08125	0.4
82.85808	0.4
88.08661	0.3
96.62152	0.4
100.52931	0.4
111.05286	0.3
114.09147	0.5
144.08089	29.9
145.08844	0.8
158.09630	1.9
159.08020	0.6
167.07028	0.4
170.09637	100.0
170.92424	0.4
171.10417	22.6
187.12283	0.6
201.13849	3.7
202.12762	0.6
202.14618	11.2
312.24124	0.4
439.90771	0.5
486.75021	0.5
591.43878	0.5
599.25995	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2351
Annotation	Foliachinenoside C
Peak:m/z	Relative Intensity
60.04527	1.8
60.73899	1.3
61.35738	1.1
68.34755	1.4
69.03425	1.7
70.06595	9.8
72.08154	5.1
75.84032	1.2
85.02891	5.8
86.20496	1.3
91.05450	1.8
92.17877	2.0
95.04976	1.9
105.07026	14.3
107.04959	10.4
109.06531	1.6
114.09145	2.6
119.04895	2.2
123.04461	1.6
123.08047	2.1
133.02734	1.6
133.06479	15.0
135.08055	5.5
137.05972	9.7
144.08104	2.9
149.05965	6.0
150.06767	6.9
151.07439	10.0
153.05435	1.4
156.79002	1.3
161.05988	5.8
163.03935	6.7
163.07498	13.0
165.05524	2.2
165.07936	1.5
165.09103	12.6
167.07033	23.7
170.09648	20.4
171.10419	3.1
177.05498	2.4
179.07056	2.4
181.04956	15.1
181.08627	6.1
183.06381	1.4
193.08598	97.8
195.10147	5.5
202.14655	2.0
205.08597	8.1
206.12836	1.8
208.07355	3.2
211.09644	100.0
225.07594	10.3
297.00052	1.5
309.96948	1.4
314.75943	1.3
337.22272	6.4
387.14349	12.2
405.15927	2.0
437.17972	22.4
599.26093	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	598.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61836	7.3
54.86931	6.9
57.49129	6.0
81.07053	13.4
93.07043	15.9
95.08582	12.1
105.07016	9.5
107.08582	12.8
109.10133	10.3
115.49480	7.6
131.08556	11.9
143.08574	9.0
145.10165	11.4
165.09122	7.4
197.13283	38.8
199.14830	34.4
209.09718	10.0
223.14870	16.7
246.44420	7.4
253.73952	8.8
265.15918	14.5
283.16971	100.0
284.17599	14.9
301.17947	58.7
395.29382	16.1
413.30646	13.7
423.28583	7.8
441.29883	82.0
459.31082	53.0
477.32468	13.4
545.34387	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	598.3606
Annotation	Zizyphine F
Peak:m/z	Relative Intensity
52.67183	0.5
54.35009	0.5
65.75398	0.5
70.06597	100.0
71.71939	0.5
72.08141	5.3
84.08146	2.7
84.22897	0.5
86.09711	46.3
92.18404	0.8
93.38514	0.6
94.76890	0.5
102.21891	0.6
106.11221	0.6
106.40068	0.6
114.09149	7.1
115.08695	13.1
125.07136	0.9
132.08067	0.7
134.06024	2.1
136.07643	2.3
138.12788	14.1
140.07094	3.0
142.08656	1.1
146.06012	0.7
160.07597	1.3
181.13419	6.2
182.14171	0.6
183.14932	8.2
197.16466	1.0
202.12263	26.5
209.12851	24.0
225.15939	1.1
229.13338	1.0
239.13916	1.3
247.14392	1.3
249.16110	0.8
270.18469	3.0
315.20734	1.4
322.21277	6.9
324.29926	0.8
326.18460	1.3
344.19315	2.0
350.20624	6.6
358.19904	0.8
388.22409	0.7
429.28510	5.2
439.27185	2.9
457.28101	71.7
463.29080	7.9
598.36090	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	598.3
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14640	0.7
60.08160	3.7
60.72482	0.8
70.06600	0.8
71.07373	0.9
73.05286	0.7
78.12443	0.7
83.45650	0.8
86.09713	22.5
92.18454	1.8
100.19064	0.7
104.10767	1.1
109.10195	0.8
110.63988	0.7
124.60548	0.8
124.99998	8.0
130.66106	0.7
163.03914	4.0
184.07347	100.0
220.09674	3.9
220.40717	0.8
249.11281	0.9
284.50714	0.8
357.73819	0.9
598.30145	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	598.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26325	0.4
55.05517	0.8
56.05045	1.8
57.03447	0.9
57.07071	0.4
59.63912	0.4
60.04535	57.5
67.05512	4.5
68.05044	0.5
69.03445	6.1
69.07072	3.0
70.06585	2.2
71.04984	0.7
72.04520	3.1
72.08156	0.7
73.02921	0.9
74.06082	3.0
79.05504	2.1
80.05016	0.8
81.03422	7.1
81.07063	8.2
82.06591	0.9
83.08623	2.3
84.04510	1.7
85.02903	11.6
86.06060	0.9
87.00837	2.3
90.05597	0.5
91.05482	0.7
93.07052	2.7
94.06567	0.5
95.08615	7.0
97.02902	3.2
97.06543	0.5
97.10160	0.8
99.04472	3.0
102.05556	5.0
104.07127	4.1
105.01876	2.2
105.07018	0.5
107.08605	3.1
109.02879	6.4
109.10177	4.7
116.07090	0.6
117.07018	0.5
119.08626	0.7
121.10131	4.1
123.11717	2.2
127.03929	10.7
127.04786	0.8
129.01848	0.7
131.08607	0.7
133.10118	1.0
135.11694	3.5
137.13260	1.1
137.26068	0.6
145.05034	2.0
147.02855	0.4
147.11746	0.6
149.13269	2.0
159.02924	2.8
163.03880	1.0
163.14876	0.6
177.05438	1.0
178.05843	0.8
185.33472	0.4
205.19617	0.8
219.21173	1.0
220.09711	0.6
231.04994	0.5
248.23698	0.6
260.23761	1.8
278.24826	8.8
296.25775	7.0
310.11313	0.9
314.26907	8.2
332.27921	9.4
350.29099	6.4
404.44891	0.5
542.75824	0.5
554.35400	2.1
568.27704	0.5
580.33728	3.9
598.34479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19441	2.5
60.04531	2.4
69.03427	2.6
81.03412	14.2
82.82375	2.2
85.02914	5.6
105.07024	13.9
107.04965	10.8
117.07026	4.4
123.28114	2.6
131.08553	4.5
133.06508	18.5
137.05978	16.8
145.06482	31.4
151.07523	4.0
161.05966	57.9
162.62257	2.6
165.05443	3.8
167.07033	51.9
170.67023	2.4
173.05968	100.0
179.07019	41.1
180.08694	4.8
181.08618	5.6
187.07520	12.3
190.06229	26.5
191.07133	2.6
193.03178	3.6
193.08630	52.4
203.06969	6.0
205.08580	95.7
209.08075	11.3
217.08582	45.5
219.10042	4.8
225.07565	50.8
235.09637	22.1
238.63606	2.5
247.09715	5.4
251.09128	25.8
265.10693	66.7
297.09650	35.5
315.08737	4.4
330.10968	6.2
383.14645	10.9
401.16006	29.6
403.06247	3.3
417.15402	4.2
598.34460	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	598.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	0.8
77.57697	0.6
81.65472	0.6
85.02921	2.6
92.18517	0.7
97.02974	0.8
104.31298	0.8
107.04949	3.9
118.99072	0.6
131.08548	1.2
131.21632	0.6
134.55655	0.7
141.07018	0.6
156.05687	0.8
158.07272	0.6
159.08067	3.1
167.05763	1.1
167.07051	14.3
171.10201	0.8
174.11465	0.9
187.07549	3.3
196.11249	1.1
197.11580	1.3
198.09146	1.5
199.09477	1.4
200.06548	0.7
201.09126	3.1
212.10641	0.9
215.06979	1.0
217.08588	16.9
217.10530	0.9
219.08096	4.1
219.10101	1.2
224.10710	1.0
225.11070	0.8
229.08589	6.4
231.08092	0.9
231.10255	1.3
233.09673	5.3
235.07822	0.7
235.11171	1.3
236.08348	1.4
242.11696	1.2
243.12090	1.0
245.09676	1.5
246.23860	0.6
247.07524	6.6
247.09760	2.4
248.08374	3.9
249.09105	1.0
251.10681	4.5
259.07468	1.0
260.08435	0.8
261.09180	3.8
262.09909	1.5
263.07889	1.1
263.10562	8.2
264.07791	5.7
265.08728	1.2
273.09125	1.3
275.07016	1.3
276.07831	4.9
279.10141	14.1
280.10904	1.0
289.08780	0.9
290.09384	4.2
291.10172	11.9
292.07266	3.2
292.10638	0.7
293.08221	3.1
296.10596	1.3
304.07416	0.9
305.08258	0.8
305.11597	1.5
307.09616	7.5
308.10452	6.7
311.12830	4.4
315.08768	0.6
318.08813	1.1
319.09634	4.7
321.07623	3.7
321.11221	2.2
322.12262	3.1
323.12720	3.8
324.09918	1.0
325.10611	1.3
326.11652	0.8
335.09192	2.6
336.09918	5.5
337.10660	6.0
339.12271	5.3
350.11548	4.5
351.12085	6.0
352.13138	2.7
353.06274	1.1
353.10226	10.7
356.12479	4.7
368.12506	20.6
371.14868	4.6
383.14914	95.7
385.16595	1.0
401.15985	100.0
498.68094	0.8
598.26764	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	597.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93816	0.3
70.06594	4.3
72.08148	4.0
80.09168	0.3
81.03407	0.5
84.08089	1.8
85.02840	0.6
86.07211	0.4
86.09696	0.4
92.11250	0.4
93.36629	0.4
100.07623	0.4
109.02827	0.5
110.09630	0.5
112.11200	0.6
114.09143	0.4
114.10274	0.7
114.89828	0.4
121.02785	0.4
122.71436	0.3
123.04391	2.3
127.03900	0.5
131.04929	0.5
135.04364	0.6
149.43439	0.4
155.11841	0.8
157.10837	0.4
163.03900	6.7
165.05493	1.3
170.09663	0.7
174.11491	0.5
186.09171	0.8
193.04976	0.6
196.11139	0.9
198.09048	0.7
201.07829	2.1
202.08577	1.2
214.08629	100.0
215.09122	0.8
218.08131	2.5
220.09769	2.7
222.11282	5.3
224.10713	0.5
228.10172	9.7
230.11766	0.5
233.10475	7.8
234.11293	2.2
234.98978	0.4
236.12823	0.5
249.59225	0.4
256.09695	12.9
258.11301	0.4
270.11359	1.8
273.12457	0.4
274.10678	0.4
288.12415	1.7
293.18616	0.4
313.15347	0.5
327.17114	2.0
330.18262	2.5
344.19684	11.2
356.19849	0.4
357.63046	0.5
372.22891	0.5
384.22855	5.0
401.25479	14.8
402.25894	0.7
403.26169	0.8
425.25415	2.7
547.29504	3.3
553.24872	1.7
565.21198	0.7
565.30237	29.8
597.33057	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	1.0
67.05501	0.7
70.06613	0.6
72.08154	1.0
81.07045	1.3
83.04987	0.7
85.02915	4.4
93.07090	0.7
95.08601	1.3
97.02901	1.0
107.08600	0.8
120.08128	1.6
121.06544	0.7
127.03903	1.0
132.83937	0.7
134.09717	0.8
141.01817	1.3
144.08081	11.4
146.09575	1.1
147.04399	1.1
149.06049	1.1
151.07565	1.0
158.09705	3.6
160.11253	2.8
166.08728	0.6
167.07043	3.9
170.09651	20.9
171.10410	7.1
172.11203	1.5
177.05463	0.8
187.12427	0.9
191.67847	0.7
201.13902	6.8
202.14622	6.3
202.93137	0.7
203.15465	3.1
209.08163	1.5
214.15982	1.2
240.17561	3.3
271.21783	3.9
392.22235	1.4
404.22348	0.9
435.26453	83.9
579.30511	3.5
597.31812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21745	0.4
51.65615	0.3
57.03439	0.5
59.87253	0.3
63.17482	0.4
69.03424	0.4
69.07066	0.8
81.07076	6.6
82.07401	1.8
85.02914	4.2
85.97897	0.4
86.03197	0.7
89.66799	0.4
95.08576	1.6
97.02926	1.8
108.17850	0.4
109.02921	0.6
110.03889	0.4
120.08099	2.3
123.04362	0.5
124.62408	0.5
127.03944	1.8
133.06454	0.5
134.09683	0.9
137.13234	1.7
144.08098	10.2
145.05029	0.7
145.08893	1.7
146.09669	1.9
147.04509	0.7
158.09645	3.8
160.11292	0.9
170.09644	25.3
171.10428	7.9
172.11232	1.8
187.12376	0.7
201.13905	6.6
202.14661	6.7
203.13824	0.4
203.15448	3.6
214.15996	0.6
228.17711	0.6
231.04994	0.7
240.17470	3.4
271.21686	4.3
364.19315	0.6
378.20569	0.9
392.22275	2.5
404.22488	1.7
435.26450	75.4
493.57779	0.5
597.31805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35881	0.5
55.04395	0.4
62.77142	0.5
69.03425	0.9
69.07082	0.8
70.06594	1.1
81.07069	0.9
85.02901	1.3
114.09192	1.1
119.08606	0.7
120.08137	2.6
123.04456	0.8
132.08018	0.6
144.08105	12.1
146.09663	1.2
147.04405	4.4
147.08153	1.0
151.03920	0.7
158.09651	7.4
160.11186	0.6
165.05563	0.6
170.09650	19.9
171.10466	6.8
172.11209	1.0
187.12416	0.7
201.13910	3.8
202.14664	6.9
203.15370	0.8
214.16022	1.2
226.12366	0.8
228.17599	0.6
233.44397	0.5
240.17406	2.0
271.21692	20.1
271.24573	0.9
392.22211	2.3
404.22375	3.3
414.47659	0.6
435.21448	1.1
435.26453	64.5
597.31805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3036
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03957	0.6
55.05518	11.2
57.03445	5.9
57.07079	1.1
61.79684	0.4
67.05511	21.4
69.07075	16.0
71.08620	0.8
76.72066	0.5
79.05499	7.6
81.03394	0.7
81.07059	28.6
83.08621	9.7
85.06520	0.8
91.05482	3.3
93.07044	8.7
94.61111	0.5
95.08611	22.0
96.75454	0.6
97.06535	1.2
97.10149	5.1
98.98484	6.4
105.07016	3.3
107.08600	4.5
109.02850	2.6
109.10159	10.2
111.08074	0.6
119.08572	3.1
121.10141	3.9
123.08090	0.6
123.11688	3.4
133.10150	4.5
135.11705	2.1
137.13254	1.1
147.11708	1.2
149.13263	0.7
150.87474	0.6
155.01009	2.2
161.13226	1.3
177.82881	0.6
261.03619	2.1
263.23694	0.6
263.68616	0.6
337.27359	100.0
459.63855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04177	1.2
53.70465	1.3
54.59091	1.4
57.03433	2.5
58.27059	1.2
61.02924	2.1
69.03450	10.8
71.05701	1.2
77.81083	1.1
81.03421	3.0
84.48833	1.2
85.02917	30.4
92.77950	1.4
93.07043	2.5
97.02912	12.5
99.04463	3.0
109.02876	6.9
127.03918	7.7
132.08083	3.5
138.67253	1.5
144.08098	30.2
145.04984	3.5
145.08879	2.8
157.08900	7.5
158.09657	14.9
169.08902	5.3
170.09671	5.4
172.11218	5.0
181.08913	5.7
182.09654	23.5
183.10428	16.6
184.11234	14.9
195.10464	9.5
196.11186	16.8
198.12787	73.1
200.10800	1.5
207.06538	21.2
208.06883	17.2
208.11258	2.5
208.93474	1.5
209.12094	5.1
210.12793	29.3
212.10771	11.6
212.14308	13.1
216.13803	2.3
224.14333	48.3
226.12247	15.1
226.32436	1.5
227.42995	1.4
238.12221	27.0
242.12918	2.1
242.15388	65.5
254.11780	1.6
256.13333	10.6
356.14850	2.7
358.16376	6.8
400.17548	15.5
418.18741	12.6
435.21225	2.1
538.16785	2.6
562.22571	1.7
566.25525	2.1
580.23804	9.4
597.30804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.3
58.83996	0.3
67.05512	0.8
69.07061	1.7
72.04527	3.6
75.87381	0.4
77.39468	0.3
84.05619	0.5
85.02905	1.5
85.06552	1.8
86.09703	0.5
87.08083	0.7
90.05562	48.0
98.02421	1.9
100.03950	0.4
102.85005	0.4
103.07579	1.9
107.08687	0.4
107.77402	0.4
109.10208	0.6
113.06038	0.5
116.03455	8.1
124.07588	2.9
124.11232	0.5
129.93317	0.4
135.08047	0.7
142.08595	1.6
152.10713	8.2
160.09708	0.6
166.08606	1.5
170.11777	8.0
174.11284	1.6
178.57056	0.4
184.09695	13.9
198.11304	2.1
202.08865	0.8
202.10753	24.2
216.12325	4.8
220.11806	100.0
297.07574	0.6
332.58099	0.4
382.17068	12.6
395.35034	0.4
431.93036	0.4
485.19675	0.4
499.25272	1.6
597.21429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47170	1.0
55.32436	0.9
69.03429	5.7
73.02901	0.9
79.87550	1.2
81.03435	1.4
85.02910	14.5
86.86448	0.9
87.82445	0.9
91.74525	0.9
93.78706	0.9
97.02884	10.1
99.04492	2.0
109.02921	1.6
124.07603	4.3
127.03933	5.8
130.06525	15.4
131.07315	7.8
144.08119	2.0
145.04916	1.6
151.03896	8.0
151.63499	1.0
168.08066	5.0
170.09683	7.6
174.11519	30.2
181.08904	5.9
182.09738	1.3
183.06786	3.9
184.11229	1.8
188.07355	1.7
196.11235	38.5
197.08363	1.7
198.09145	39.9
209.08353	1.2
210.09045	1.5
212.10742	10.8
216.10245	7.6
224.10693	31.0
239.91649	1.3
242.11742	27.4
272.09528	1.0
273.16049	7.7
299.09015	2.3
360.14465	5.7
361.32803	1.1
380.47836	1.2
386.15891	12.7
404.17200	2.1
417.20309	1.7
435.21429	1.6
493.38864	1.1
549.19171	6.3
597.26514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27040	0.4
55.01885	0.7
57.03451	0.9
61.02921	2.2
65.49743	0.5
66.84143	0.5
69.03435	6.8
72.08155	2.9
73.02927	0.8
81.03419	3.3
85.02908	35.2
91.03955	0.6
92.18405	0.8
97.02905	14.0
99.04426	2.0
108.88145	0.5
109.02876	4.1
118.82330	0.5
121.09431	0.5
127.03906	8.7
131.07307	4.0
144.08099	2.6
145.04941	4.1
145.08894	6.0
150.42841	0.6
152.41171	0.6
157.08856	10.3
163.03922	0.9
167.07079	1.0
170.09654	0.6
174.11459	0.7
182.09708	2.6
183.10425	8.7
184.11246	0.8
195.10452	2.3
196.11145	0.9
197.08444	0.6
210.12785	12.5
211.13669	0.7
212.10741	2.7
212.14372	2.2
224.10742	0.8
226.12277	0.8
230.11771	9.8
238.12344	3.0
244.13234	3.8
256.13309	100.0
273.15958	31.2
295.81339	0.7
354.28220	0.6
435.21265	1.1
597.26514	27.3
618.81470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81509	0.8
57.46557	0.8
61.02928	1.2
69.03429	7.4
71.01643	0.8
71.66589	0.7
78.94913	0.8
81.03391	1.4
85.02914	15.8
87.04473	1.0
89.23611	0.8
97.02882	8.0
99.04431	1.6
109.02856	1.1
109.77429	0.8
127.03876	3.4
131.07253	1.8
144.08095	8.5
145.08844	5.1
157.08859	12.7
158.09619	5.0
163.03960	1.0
167.07201	0.8
168.08130	1.1
170.09598	1.9
181.08842	7.9
182.09645	15.7
183.10431	11.6
184.11139	4.9
194.09724	1.0
195.10446	10.9
196.11272	7.8
197.08281	5.4
198.09052	1.1
198.12810	16.4
199.09883	2.0
208.11162	1.9
210.12776	45.9
211.09840	3.6
212.10712	21.2
212.14201	3.6
218.09042	0.9
223.09970	1.8
224.10652	4.3
224.14354	6.4
226.12262	22.1
227.56749	1.0
236.10724	1.1
238.12241	52.7
242.11656	0.9
242.15363	10.6
254.11646	1.9
256.13312	21.7
280.13208	1.1
298.14410	3.7
319.14023	1.0
356.14731	4.8
358.16370	9.5
374.15805	3.6
400.17554	21.2
418.18582	25.7
435.21048	4.8
553.23828	1.2
562.22894	3.4
580.24023	18.8
597.26367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.8
61.10257	0.7
65.41293	0.6
69.03424	3.0
71.04963	0.7
81.03423	1.6
85.02914	6.5
87.04486	0.8
95.16512	0.8
97.02897	1.5
98.37849	0.7
98.64634	0.7
127.03935	2.8
130.06520	10.8
131.07310	6.5
144.08072	3.1
168.08090	1.8
169.08902	1.1
170.09637	8.5
174.11531	17.4
180.08022	0.8
181.08929	3.6
182.09686	1.0
183.06815	3.3
184.11227	3.8
196.11221	31.0
197.08362	1.9
198.09145	31.9
198.10957	1.3
210.09254	1.0
210.12964	0.8
212.10738	12.8
216.10164	1.9
224.10692	24.2
242.11697	7.5
254.11740	0.9
342.13623	5.3
344.14917	1.5
360.14542	0.8
368.15253	0.9
386.15839	8.1
404.16971	3.8
435.21268	0.9
566.22284	1.3
569.95215	0.8
597.26563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00329	0.5
54.45106	0.5
57.03438	0.9
61.02929	1.3
68.67601	0.5
69.03442	6.8
69.37832	0.5
72.08173	1.4
73.02908	0.7
81.03419	2.5
85.02906	10.0
87.04491	0.9
97.02882	4.8
99.04456	1.0
109.02869	1.4
114.10285	1.0
115.59837	0.6
127.03885	3.2
131.07289	0.9
144.08116	6.5
145.08868	5.3
157.08888	12.2
158.09651	5.5
159.10403	1.1
168.08011	0.8
170.09636	0.9
181.08897	7.0
182.09662	12.7
183.10455	8.6
184.11214	4.2
195.10461	7.5
196.11237	6.1
197.08368	4.0
198.12810	6.2
199.09969	3.0
205.08827	0.7
208.11203	1.1
209.12067	0.7
210.12788	44.9
211.09949	4.0
211.13591	0.8
212.10733	20.1
212.14226	1.9
220.11183	2.2
223.09941	3.1
224.10774	1.4
226.12267	21.3
228.13870	1.0
230.11732	0.6
236.10710	1.4
238.12268	52.0
240.13893	0.7
242.11758	1.0
254.11833	2.9
255.15004	1.2
256.13306	20.1
264.06631	1.1
280.13345	1.4
295.06091	0.6
298.14337	6.0
317.09225	0.9
319.14191	2.0
335.10477	1.0
340.15375	1.1
352.95303	0.7
356.14795	4.4
358.16528	8.6
374.16095	3.1
381.10831	4.3
382.16458	1.4
388.17575	0.9
400.17578	26.4
417.20410	1.3
418.18597	26.2
435.21365	5.2
553.23975	7.0
562.23157	5.2
580.23810	22.0
597.26593	100.0
605.46857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.6
57.03434	5.3
58.06617	1.3
61.02924	7.7
66.14809	1.1
69.03436	18.3
71.04981	1.9
81.03421	7.4
85.02914	92.2
91.03961	4.9
97.02908	33.0
99.04460	6.9
109.02868	8.0
112.42664	1.5
117.05740	5.8
118.06509	1.3
127.03935	22.1
130.06532	6.9
131.07346	9.6
132.19319	1.3
143.07303	1.7
144.08099	1.5
145.04951	11.2
169.08946	2.0
170.09706	7.5
174.11526	32.7
181.08922	1.6
183.06799	2.2
196.11220	27.3
198.09148	25.3
212.10725	6.4
216.10208	64.1
224.10657	13.5
230.11778	11.5
242.11749	100.0
273.15979	94.1
321.13040	1.2
420.56549	1.2
435.21008	2.3
468.43793	1.4
597.26599	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.7
68.44936	1.0
69.03421	7.0
69.82427	1.2
70.06600	1.0
72.08166	2.7
81.03392	2.3
84.05623	2.6
85.02918	25.7
86.82758	1.1
87.70274	1.1
89.13105	1.4
94.72440	1.1
97.02895	17.3
99.04456	5.3
109.02898	3.0
113.53060	1.2
127.03923	5.2
130.06529	8.9
131.07298	8.3
144.08112	1.9
145.04980	5.0
147.04419	5.4
151.03941	1.3
157.08888	5.6
168.08128	2.9
169.08942	1.6
170.09627	5.9
172.18396	1.3
174.11534	25.2
181.08861	5.3
182.09677	2.0
183.06813	2.4
183.10503	1.9
184.11275	3.0
196.11234	28.5
198.09126	30.5
210.12840	7.8
212.10721	11.4
212.14296	1.4
216.10286	5.1
224.10678	16.5
226.15550	2.6
230.11818	6.7
242.11752	30.6
256.13327	51.1
273.15961	15.4
297.22913	8.9
360.14395	1.2
386.15973	11.3
404.17221	2.0
597.26569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
58.06596	1.3
61.02935	0.7
69.03440	3.6
71.04980	0.5
73.02911	0.5
81.03414	1.6
81.52881	0.3
85.02905	7.1
87.04473	1.3
91.03954	0.4
94.12763	0.3
97.02905	2.9
99.04453	0.8
109.02875	1.9
117.05794	0.5
127.03918	2.4
130.06529	14.4
131.07303	5.5
143.07301	1.5
144.08101	1.7
145.05020	0.5
159.09128	0.4
167.07309	0.4
168.08058	3.2
169.08870	1.9
170.09634	7.7
172.07576	0.7
173.10750	0.5
174.11525	22.9
180.08151	0.7
181.08867	4.2
182.09619	2.4
183.06816	3.4
184.11249	3.8
185.08318	0.6
194.09660	0.7
196.07573	2.0
196.11220	34.6
197.08377	2.8
198.09148	41.7
206.09663	0.6
209.08374	0.6
210.09125	2.2
212.10707	16.8
212.12674	0.7
216.10197	2.3
222.09209	1.7
224.10712	35.0
236.10774	0.4
238.12297	0.4
240.10088	2.4
242.11748	11.6
248.10796	0.6
254.11716	0.7
266.11765	0.7
284.12921	1.2
305.12677	0.5
342.13287	3.8
344.15036	1.7
360.14407	1.3
368.15012	1.9
374.16125	0.4
386.16019	11.4
404.17044	4.3
435.21329	1.5
566.22546	0.6
597.26569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89798	0.2
56.26958	0.2
67.05505	0.3
77.87005	0.3
84.04501	1.4
95.04946	0.3
105.07027	4.9
108.02101	0.5
108.72063	0.2
111.77585	0.2
114.84794	0.2
119.04964	1.0
120.47385	0.3
122.09669	2.9
137.05899	0.3
141.05449	1.0
147.04378	0.9
151.03905	100.0
151.04936	4.3
167.07037	0.5
178.76793	0.3
179.07056	0.4
187.12294	2.1
188.10704	0.9
205.04918	0.3
205.13347	6.1
223.07664	0.2
233.12834	13.6
234.11253	0.4
283.09622	1.0
299.09137	2.9
311.09116	1.9
329.10162	8.2
347.11295	6.1
519.14215	0.3
549.22522	2.2
579.23486	2.5
597.24377	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	597.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37546	1.4
55.01890	1.7
57.27537	1.2
70.59065	1.3
71.06915	1.5
75.04491	1.5
80.88418	1.5
90.34657	1.6
90.98685	1.5
91.05474	3.3
93.03400	16.8
93.07030	3.5
95.04900	1.6
100.75427	1.2
103.05486	7.8
105.07043	2.7
106.04166	13.7
107.04939	2.8
107.96129	1.5
115.63507	1.5
119.04946	1.8
121.06506	34.1
125.05988	9.4
131.04912	9.6
133.06467	5.5
134.03650	1.6
137.05966	3.2
139.07564	3.3
145.02766	2.1
148.05176	2.2
149.05978	63.6
151.03909	41.5
151.07512	3.1
153.09096	16.8
158.38255	1.3
161.05942	8.4
163.03862	3.1
163.07561	8.4
165.05486	8.4
166.06203	2.4
167.07025	80.9
176.77527	1.5
177.05461	38.7
179.07082	2.0
181.04970	2.4
181.08624	21.4
191.07018	53.0
192.07802	2.4
193.08636	6.8
195.06555	13.3
209.08086	100.0
387.14648	2.0
405.15384	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	597.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93868	0.3
55.38255	0.3
59.55952	0.2
66.68035	0.3
69.03396	0.3
70.06567	0.3
81.03409	0.4
85.02914	1.5
92.17818	0.7
97.02889	0.5
121.02877	6.0
125.66187	0.3
136.74457	0.4
151.79622	0.3
167.07082	0.4
184.07318	0.4
257.08118	0.6
258.08755	0.4
273.07672	0.3
285.07690	2.5
300.09869	4.3
302.08026	0.6
389.10196	7.8
403.11606	0.5
417.13318	2.3
435.14557	100.0
597.29199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1822
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.25750	2.0
69.03419	3.7
70.06590	4.5
72.08166	21.9
73.44463	2.2
85.02915	12.5
89.10770	2.6
97.02876	11.0
107.04976	4.5
109.02901	3.3
112.11241	3.1
119.58961	2.5
121.02863	6.2
123.04443	4.8
127.03982	3.1
130.06531	4.8
135.04449	2.5
144.08084	17.6
147.04399	10.3
163.03896	16.0
165.01883	3.7
170.09599	3.0
174.11501	12.9
177.01859	3.5
177.05446	3.7
189.01859	22.6
191.03461	4.1
195.02876	18.5
196.11218	16.6
198.09151	17.8
201.05511	3.3
203.03485	3.5
205.01352	9.7
207.02902	54.0
212.10690	4.8
215.03384	5.2
217.09724	5.8
219.02896	69.3
220.09689	3.6
222.11270	13.8
223.02335	9.6
224.10760	12.6
225.03967	12.5
229.05022	11.1
231.02892	59.5
233.04449	11.3
237.03934	24.9
242.11823	6.3
243.02937	28.1
243.06555	4.2
245.04395	4.4
249.03955	15.4
255.02863	11.2
257.04453	17.2
261.01346	5.3
261.03952	100.0
269.04428	4.1
271.06042	10.6
273.03961	57.5
275.05606	3.1
279.05090	3.4
285.03970	53.9
291.05075	18.5
297.04010	20.6
297.07565	19.7
299.05707	5.3
303.04913	27.8
309.03891	4.7
309.07379	3.6
315.05179	4.4
321.06198	12.4
327.04974	29.9
327.08713	14.3
339.07864	12.8
345.06088	10.7
351.04807	3.4
351.08759	4.9
357.05814	4.8
357.09753	5.2
363.07422	5.7
381.09702	14.8
386.15982	3.0
393.09692	13.1
405.08575	22.3
411.10553	6.2
423.10068	18.0
429.11945	25.5
441.10974	35.0
447.10449	21.3
459.12878	61.6
465.11899	3.1
483.12610	27.6
490.48318	2.8
495.12723	5.3
507.12811	3.9
525.13843	21.6
543.14868	29.2
558.45093	3.2
561.16412	3.5
597.26251	59.1
617.66138	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	596.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80195	1.0
55.72713	1.1
56.96576	15.9
58.06606	6.6
59.07398	2.5
74.21436	1.3
92.85619	1.3
100.11266	2.8
104.32691	1.3
110.97598	7.3
127.00711	5.1
128.98624	12.1
144.10202	52.5
145.01707	1.8
146.99637	7.7
158.99593	1.6
170.99553	1.5
171.03278	11.5
180.10066	1.3
189.04311	7.9
197.01286	2.1
200.05966	5.4
215.02245	14.2
218.07091	13.8
233.03349	9.8
256.08521	1.5
274.09650	6.8
279.85153	1.4
319.19437	37.1
337.20523	46.1
447.26480	2.6
462.28961	1.8
480.30185	3.1
519.50415	1.4
536.32562	100.0
596.34827	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	596.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	1.0
61.02936	0.7
67.05511	2.8
69.03439	4.6
69.07080	1.1
71.04990	0.8
73.00138	0.5
73.02911	1.1
75.33899	0.6
79.05501	6.6
81.03421	3.5
81.07067	100.0
85.02915	42.9
85.03369	0.8
87.00840	6.0
87.82945	0.6
95.08620	16.1
97.02901	9.0
99.04449	3.0
103.03907	1.0
105.01882	12.9
109.02905	7.8
109.10169	2.6
111.42344	0.6
113.02394	0.8
115.03856	0.9
125.02302	0.6
127.03932	20.3
129.01842	1.4
135.11642	0.8
137.13272	23.9
141.01852	8.0
145.05000	3.9
147.04501	0.6
154.15930	1.1
159.02905	3.7
169.04944	0.7
171.02812	0.6
181.68939	0.7
189.03986	3.4
196.40771	0.6
213.03937	1.2
231.05051	9.0
243.11386	0.7
249.06049	7.2
261.06155	2.4
261.08688	1.1
262.08929	0.9
267.04883	1.1
273.06140	1.4
285.06213	0.8
287.10278	0.8
288.10672	1.4
303.07297	2.3
315.84332	0.7
361.21555	0.7
389.07504	4.5
400.18430	0.8
401.18961	0.7
407.08206	4.0
425.09235	1.3
427.20648	0.9
447.49237	0.7
460.13071	2.5
538.79797	0.9
588.25415	0.7
596.33075	0.7
602.12030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04556	0.7
57.28381	0.4
58.55352	0.4
60.05610	0.4
84.05634	66.3
85.06382	0.6
95.31638	0.4
105.75094	0.5
124.07549	0.5
148.07555	1.0
163.03911	4.1
166.08609	1.9
194.08128	9.2
208.10815	5.6
226.01132	0.5
226.11797	0.8
236.10269	4.6
240.09787	1.1
254.11345	100.0
317.70837	0.5
335.52405	0.6
416.14450	3.6
428.99896	0.6
434.15451	5.4
552.22211	0.9
580.05981	0.5
596.20874	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94767	0.2
61.13903	0.2
62.73839	0.2
68.73702	0.2
69.03427	0.3
70.06581	0.4
79.54890	0.3
83.40176	0.3
85.02904	0.5
92.17846	0.2
97.02863	0.4
109.30024	0.3
163.03897	8.4
169.04959	3.8
169.30814	0.3
177.05457	3.4
205.04910	0.4
206.05759	9.6
207.06531	100.0
289.07083	0.3
321.55621	0.3
357.09592	1.0
375.10767	2.1
390.98831	0.3
498.60654	0.3
537.16046	11.9
596.23364	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.7
59.20634	1.4
60.38610	1.4
68.99815	4.7
69.41039	1.5
70.06585	3.1
72.08153	2.5
79.05517	1.8
86.66142	1.4
91.05488	14.8
92.17842	1.7
93.07051	3.1
95.05009	1.9
103.05514	2.6
107.04951	2.4
121.06506	11.8
125.06067	2.2
126.12775	11.6
131.04941	2.2
133.06404	2.0
134.03648	3.6
135.04462	6.4
139.07500	2.1
149.06006	38.9
152.01131	1.7
153.05463	2.9
155.11771	2.2
163.03920	16.9
167.07043	3.0
177.05496	22.7
179.85776	1.6
180.04176	3.9
181.08600	35.8
191.07042	20.0
192.07878	3.3
195.06508	13.4
209.08113	58.9
223.04181	3.8
223.06042	52.5
244.74274	1.6
247.60063	1.7
251.09158	100.0
383.11142	6.9
415.13898	10.6
564.27069	3.1
596.30011	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	596.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17933	0.4
50.36385	0.4
57.04551	0.7
60.80422	0.5
68.60445	0.4
84.05633	57.5
93.09343	0.5
93.59959	0.4
101.62011	0.5
148.07509	0.9
163.03903	0.8
180.06511	0.9
194.08093	8.9
208.10838	4.0
215.47424	0.5
222.08730	0.5
226.11880	0.9
236.10211	3.3
240.09554	0.7
254.11336	100.0
416.14072	0.7
434.15665	3.2
596.20856	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	595.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06363	0.4
58.06612	6.0
58.84737	0.5
59.07386	2.0
60.08173	17.0
60.23930	0.5
64.91762	0.5
69.07081	4.3
69.46968	0.5
79.45041	0.6
81.51292	0.5
83.50193	0.5
86.09711	36.3
90.36113	0.5
91.05487	1.2
92.17846	0.6
96.08118	0.6
99.16397	0.5
100.11256	1.1
103.05458	2.5
104.06266	0.7
105.07064	4.3
106.06577	0.9
113.10761	1.2
120.08126	2.8
124.07615	0.9
131.04950	15.5
131.05925	0.7
136.07599	1.0
141.10210	2.8
148.07576	8.4
148.11244	3.4
155.08133	1.2
158.97456	0.6
160.07625	0.8
161.32880	0.6
165.05496	0.9
169.09721	0.6
173.09569	0.8
177.09135	3.6
180.13924	0.9
181.33792	0.5
185.47076	0.5
186.09308	0.5
188.07106	0.8
188.14346	7.8
189.09102	0.9
190.12270	8.7
200.10738	2.8
202.12286	6.4
207.14949	8.6
214.12383	3.4
216.13783	0.9
219.10201	9.1
223.14444	1.0
231.10172	4.5
234.99039	3.3
236.12816	3.0
242.11848	1.3
246.11263	1.0
248.12860	3.7
273.16205	0.6
274.10773	0.6
315.20605	0.7
333.21829	0.6
358.21201	1.1
367.20251	2.2
405.97073	0.6
536.27777	6.2
567.34924	4.5
595.34924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42144	0.4
58.06617	5.6
59.07380	3.3
59.07644	0.5
60.08176	16.4
69.07066	0.6
72.90909	0.4
86.09212	1.0
86.09714	23.5
91.05479	2.1
91.35390	0.5
95.04958	0.6
100.02758	0.6
100.11283	1.3
103.05465	0.7
105.07036	4.9
106.06544	1.0
110.49228	0.6
117.07018	0.6
120.08130	4.2
124.07594	1.3
130.06470	0.7
131.04933	12.5
132.08006	0.5
136.07603	1.0
148.07608	8.1
148.11229	3.5
155.08102	0.6
160.07561	0.8
177.09096	3.3
188.07060	0.7
188.14340	5.9
189.09129	0.8
190.12289	6.8
195.67323	0.5
200.10771	2.7
202.12273	6.6
207.14893	9.6
214.12318	3.0
215.20525	0.5
216.13872	0.9
219.10176	7.0
231.10182	3.0
233.16507	1.1
236.12949	2.8
248.12833	5.9
273.19687	0.6
349.18912	0.8
350.17609	1.0
358.21231	0.9
367.19983	1.1
405.93909	0.6
480.29037	0.8
536.27588	5.1
567.35663	4.1
595.34949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07082	0.5
83.08594	0.5
85.11343	0.5
89.54119	0.5
95.08592	0.7
96.57654	0.5
124.07600	8.9
133.12012	0.4
138.09186	1.0
138.93159	0.4
149.09608	0.9
156.25923	0.5
160.44647	0.5
164.10698	9.3
166.08655	2.6
177.33173	0.5
201.10210	2.6
203.86980	0.6
213.13939	1.8
219.11270	1.1
225.10277	0.8
227.11774	0.9
240.12585	2.5
241.13336	14.2
242.11761	0.8
245.09230	12.1
245.11839	0.7
245.12949	0.7
258.13577	4.3
259.14435	8.4
269.09271	1.9
271.10663	5.8
284.11557	15.2
285.12335	65.5
286.12735	2.1
287.13165	0.6
300.14716	2.4
337.15112	0.5
347.17563	0.7
348.17010	0.9
363.16714	0.7
364.20190	4.4
365.18573	0.9
376.20322	1.1
382.21210	8.5
384.19275	3.1
390.18097	2.7
391.16492	8.3
393.18204	1.9
394.21741	3.8
402.18073	5.7
408.19214	28.6
410.20288	1.0
420.19116	4.8
423.21600	0.8
424.22241	10.3
438.20163	11.9
534.28839	0.6
547.29199	8.7
559.28339	0.7
577.30188	100.0
595.31207	24.4
601.75818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63493	1.0
54.93343	1.3
58.69669	1.4
70.06626	1.8
70.18364	1.4
72.08148	2.6
73.75588	1.2
81.03413	1.4
85.02919	2.9
87.00822	1.5
124.07589	3.2
168.92415	1.3
177.05418	1.4
181.30527	1.3
213.83075	1.5
235.10612	1.3
243.11369	2.0
259.14246	1.4
261.08823	6.9
261.12372	1.9
272.57773	1.4
285.12430	2.3
287.10403	8.8
294.16888	3.2
309.40125	1.5
364.20645	5.4
382.21454	6.7
394.21231	11.1
400.18698	3.2
406.17432	1.5
408.19131	53.3
412.22397	12.2
426.20319	9.3
438.20255	100.0
456.21063	9.6
547.29156	9.5
577.30353	71.5
585.98950	1.6
595.31445	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25681	0.4
65.27921	0.5
66.67321	0.4
70.06590	0.9
72.08170	2.1
75.66398	0.6
102.55604	0.5
163.03896	13.3
170.09660	2.2
171.10428	0.5
181.05055	0.5
186.09178	0.7
201.07874	1.1
202.14719	2.0
214.08629	73.2
218.08212	2.3
220.09688	5.8
228.10204	10.5
230.11745	0.9
233.10431	7.3
234.11342	1.0
256.09698	9.8
258.11203	0.8
270.11398	1.1
288.12451	1.3
295.06116	2.7
299.72018	0.6
307.06100	0.7
313.07199	0.6
317.06042	0.6
325.07263	3.3
325.15338	0.6
327.17133	2.9
337.07187	1.2
344.19687	11.1
349.07220	0.6
351.08835	0.6
356.19928	1.3
379.08078	1.1
384.22940	4.0
401.25476	59.6
409.09128	0.8
433.11234	1.2
457.11600	1.9
484.18259	0.7
541.13538	0.7
545.20050	0.6
545.27222	3.8
563.28522	8.1
577.15680	0.8
595.31372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73036	0.6
69.07058	0.6
70.06604	4.2
72.08160	0.7
85.02907	0.7
92.17769	0.5
97.06544	1.2
106.31957	0.7
124.07597	5.8
135.04442	0.5
138.09103	1.4
163.82474	0.5
164.10672	1.1
166.08665	1.0
170.09726	0.7
201.13924	4.1
202.14151	1.2
217.09674	2.9
235.10812	2.5
241.13297	0.7
243.11235	5.1
245.09329	1.0
259.14240	1.0
261.08740	11.5
261.12314	2.5
271.10712	7.1
284.11560	0.9
285.12323	10.5
286.12555	1.0
287.10248	9.5
287.12964	1.2
294.38733	0.6
339.12701	0.9
348.17035	1.3
364.16528	0.9
364.20251	7.0
366.18048	1.2
380.19748	3.5
382.21463	6.7
390.18271	0.7
391.16367	3.3
391.21271	0.8
392.16028	3.8
393.17725	0.7
394.21252	2.5
396.19092	1.1
400.18671	4.5
407.18439	0.9
408.19199	82.0
409.19412	0.8
410.20282	0.6
412.22385	2.5
420.19461	2.5
422.17081	0.8
424.22662	1.0
426.20078	3.7
438.20200	18.9
440.19623	0.9
547.29797	10.8
577.30249	100.0
595.31879	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	595.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.3
57.03446	8.6
58.84122	0.7
60.13788	0.7
65.03941	1.0
66.78918	0.9
67.05183	1.4
67.05518	32.7
69.06418	0.7
69.07074	8.1
72.86361	0.8
77.06882	0.9
79.05505	14.3
81.03418	1.9
81.07066	30.3
83.08612	3.7
91.05469	6.4
93.07053	19.5
95.04956	1.2
95.08032	1.1
95.08611	26.1
95.51875	0.8
98.98484	8.9
105.07018	5.3
107.08605	13.9
109.02872	3.4
109.10187	9.4
119.08561	4.3
121.10157	7.6
123.11691	1.4
131.08556	3.5
133.10193	1.7
135.11707	4.9
145.10149	1.3
147.11690	1.3
149.13264	1.1
149.83922	0.9
155.01048	1.3
159.11777	1.3
159.27998	0.9
171.42314	0.8
178.28543	0.9
216.57993	0.8
246.74597	0.9
260.76123	0.8
261.03812	1.2
261.22052	2.0
263.00082	0.8
288.17676	1.0
301.70410	1.0
335.25812	100.0
595.35394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10441	1.0
67.97884	1.0
89.41456	1.1
115.48251	1.3
129.25185	0.9
144.08090	100.0
145.08887	6.4
147.04445	2.2
154.20694	1.2
158.09644	4.2
167.07072	2.2
170.09653	92.1
171.10466	12.5
181.04982	2.4
187.12321	7.8
188.13091	16.4
190.87819	1.0
224.10675	2.0
261.21301	1.0
269.16553	2.4
355.74442	1.0
358.42041	1.2
438.20468	1.9
577.30481	1.8
595.26544	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	595.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90518	1.7
72.08183	3.2
73.75050	2.0
79.78801	2.3
81.07085	2.5
83.48502	2.6
85.02913	2.1
110.12769	2.2
114.09136	13.0
116.41632	2.6
122.23488	2.1
137.90561	2.5
144.06967	4.3
144.08092	100.0
145.08879	5.5
155.82265	2.4
161.05980	2.5
166.08682	2.4
167.06981	3.7
170.09656	85.4
170.82092	2.6
171.10445	12.1
187.12288	8.6
188.13087	21.4
202.14474	3.1
212.54454	2.2
224.10661	3.1
229.22760	2.7
581.43109	5.3
595.26563	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2443
Annotation	Isogilletine N-oxide
Peak:m/z	Relative Intensity
71.01461	0.8
71.02426	0.7
71.23067	0.7
76.03236	0.7
77.69957	0.8
95.60371	0.7
107.04942	1.8
107.87109	0.7
116.84476	0.8
124.18049	0.7
128.02162	0.8
144.06972	1.6
144.08093	39.3
157.07565	1.8
157.08871	54.7
158.09662	1.7
159.09193	18.2
159.21591	0.9
170.09653	1.2
172.09964	11.9
173.10739	5.1
174.11522	5.3
181.08882	16.1
187.12273	1.9
191.84871	0.9
200.13130	1.3
201.13905	6.2
208.07590	15.6
209.08383	0.9
210.09218	1.3
242.11784	1.3
244.05946	1.0
258.07571	1.0
289.95181	1.2
309.07584	3.9
329.22037	0.9
338.10208	35.8
350.10489	1.3
351.10980	1.4
352.11942	1.9
420.15970	3.6
448.15567	1.4
464.14938	9.6
465.15567	7.8
481.17575	25.4
496.19995	8.0
595.24420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09576	0.2
55.66852	0.2
59.56551	0.2
60.08167	0.4
61.01867	0.2
63.25537	0.3
67.05489	0.2
67.06876	0.2
69.60122	0.2
70.55362	0.3
70.78468	0.2
71.35055	0.2
72.08150	0.3
80.52591	0.3
84.04499	1.6
86.09692	0.4
93.54539	0.3
105.07040	6.6
107.04906	0.3
122.09676	3.1
123.04390	0.3
133.73102	0.2
141.05424	0.3
151.03912	100.0
165.05490	1.9
181.08519	0.2
184.07306	0.4
187.12306	2.5
188.10750	1.5
195.06511	3.2
205.13380	6.4
233.12860	14.8
233.15205	0.6
234.11247	0.3
281.63721	0.3
284.52222	0.3
345.09708	14.4
383.55042	0.3
577.22284	0.6
595.22894	6.9
595.34509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45991	0.6
72.08163	0.8
79.05482	2.8
85.02418	0.7
85.02917	3.9
95.04968	0.7
104.49285	0.7
105.06984	0.6
107.04966	16.7
109.02857	0.8
123.04423	2.7
124.05215	1.2
125.05984	0.8
129.10211	0.7
133.06482	1.4
136.01099	0.7
137.05959	0.6
145.06482	2.6
153.05469	0.8
155.07037	2.6
157.97510	0.6
161.05975	7.3
163.03934	0.8
167.07047	34.3
171.06464	2.4
173.05986	1.4
181.04964	100.0
183.06557	2.8
189.05478	1.5
193.08597	13.2
201.05620	0.8
205.08594	1.5
221.08093	33.9
233.08054	10.7
249.07547	6.6
261.07507	1.2
343.91315	0.6
355.52362	0.6
403.13861	28.3
415.13879	25.2
421.36661	0.7
433.14966	26.3
565.19183	14.8
595.20251	21.5
595.29303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1663
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
60.06362	1.1
60.58889	1.3
69.03444	1.7
83.37049	1.3
85.02909	8.2
89.50745	1.4
120.56437	1.4
121.02854	9.5
131.10785	1.4
283.06049	2.3
294.05222	12.2
295.06030	61.7
307.06009	38.4
308.06705	3.5
309.04507	1.6
309.07523	11.0
313.07111	3.4
321.07599	15.4
322.08395	3.0
323.05521	2.5
323.08871	3.1
325.07083	100.0
333.07544	3.5
335.09119	15.1
336.06393	1.9
337.07074	70.5
338.22910	1.7
345.07556	2.6
347.09210	7.3
349.07104	40.5
351.05200	1.8
351.08728	21.8
355.08020	10.6
357.07874	1.8
361.06985	16.8
361.10904	2.1
363.08615	8.4
365.10214	14.0
367.08127	5.3
373.07007	8.1
375.08649	13.2
379.08105	36.3
385.07138	2.5
389.10242	6.8
391.08054	30.0
401.10406	2.1
403.08023	26.2
405.43192	1.7
409.09103	23.6
419.87833	1.7
421.09122	9.7
427.10632	10.6
439.10431	14.1
445.10077	1.8
457.11319	59.6
475.12460	22.8
481.11282	10.6
499.12524	17.0
511.12289	18.1
523.12445	15.1
529.13666	16.5
541.13312	14.9
559.14606	28.4
577.15497	48.5
595.16504	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67370	0.9
51.88195	1.1
61.02913	1.2
69.38595	1.2
85.02900	6.6
92.17755	1.2
97.02822	1.1
101.50826	1.2
103.03954	1.4
109.02789	1.3
121.02863	22.1
163.03899	3.0
165.42218	1.2
177.02002	1.2
185.63918	1.3
189.01898	1.2
219.02724	1.9
231.02977	1.7
237.85777	1.4
255.03009	1.7
283.06082	5.4
294.05316	8.0
295.05994	70.2
296.06726	1.4
307.06033	41.0
308.06876	5.3
309.07693	9.5
313.07004	6.2
319.06009	2.7
321.07648	13.5
322.08298	5.0
323.05508	2.8
325.07065	100.0
327.04929	2.3
333.07611	5.8
335.09131	13.9
337.07059	69.8
347.09329	8.7
349.07089	37.6
351.08661	25.1
355.08133	12.0
361.06955	16.9
363.08685	5.7
365.06873	1.4
365.10355	18.7
367.08154	3.0
373.07095	6.8
375.08569	13.6
379.08087	45.9
385.07092	5.4
389.10437	2.1
391.08139	29.7
393.09689	2.2
401.10043	1.6
403.08121	21.6
409.09238	28.5
415.08597	2.0
421.09140	14.2
427.10373	13.8
429.09558	1.6
433.09540	1.8
439.10361	14.1
441.09625	2.1
445.09943	3.0
457.11325	89.2
463.09836	2.1
475.12451	32.8
481.11407	17.0
499.12415	22.6
511.12247	20.8
523.12408	14.6
529.13580	17.6
541.13409	21.0
559.14490	39.9
577.15479	63.4
595.16498	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	595.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16744	0.8
56.08635	0.9
56.69802	0.9
57.03438	1.4
57.08789	0.8
64.86909	0.8
70.06577	1.5
72.08158	4.5
75.93013	0.9
81.03422	1.2
85.02918	7.8
93.88667	1.2
102.05545	1.1
103.03939	1.1
109.02866	1.3
121.02860	10.3
126.84801	1.0
129.10292	1.0
151.03941	2.2
167.07079	2.2
170.09587	1.7
171.14873	1.1
174.59383	1.0
179.44066	1.2
181.04933	3.9
219.02921	1.1
232.05638	1.0
271.05933	1.3
274.18411	0.9
279.10709	1.0
283.05930	9.9
294.05237	7.3
295.06012	63.9
296.06766	1.2
297.07565	4.6
307.06000	38.9
308.06772	5.4
309.04291	1.2
309.07657	7.1
313.07007	20.8
319.06104	2.0
320.06705	1.1
321.07590	12.0
322.08289	4.7
323.05460	4.2
323.09265	5.4
324.06488	1.2
325.07077	100.0
333.07498	3.8
335.05566	2.4
335.09088	14.5
336.06247	1.5
337.07068	63.9
339.08826	2.0
343.08310	1.8
347.09323	11.7
349.07034	33.5
350.07977	1.5
351.04645	2.0
351.08612	28.6
355.08139	17.2
357.07471	1.5
361.06979	13.7
361.10788	2.1
363.08569	8.3
365.10263	16.7
367.07959	10.4
373.07120	4.9
375.08722	11.4
375.12900	1.5
377.06335	1.5
377.10495	1.5
379.08139	47.5
381.09619	1.6
385.07260	1.8
387.08630	1.8
389.10190	4.6
391.08115	26.5
393.09879	5.2
397.09146	6.0
401.10217	2.4
403.08121	21.8
409.09256	22.6
415.08820	2.1
417.09549	1.4
421.09079	15.0
427.10321	12.8
433.11325	20.2
439.10190	14.1
441.09830	1.9
445.10217	5.6
457.11298	81.8
463.10333	1.5
475.12408	22.0
481.11493	12.3
487.10294	1.7
493.11261	1.4
499.12259	15.8
505.11163	3.3
511.12326	23.1
523.12292	13.8
529.13507	17.9
541.13354	23.3
559.14447	34.6
577.15509	41.9
595.16595	26.0
595.25934	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	594.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.2
57.03442	1.8
61.02925	4.6
64.59340	1.6
67.05516	20.1
68.78150	1.6
69.03413	2.7
69.07069	10.2
69.24477	1.7
69.86642	1.9
72.29707	1.8
79.05507	9.2
81.03447	3.1
81.07069	42.7
83.08620	2.5
85.02909	58.1
91.03948	3.1
91.05476	13.7
92.17915	2.6
93.07049	33.8
95.01337	4.6
95.08051	3.1
95.08619	61.3
97.02892	19.1
97.06523	3.6
99.04442	4.5
103.03951	3.2
105.07045	45.8
107.08610	53.3
109.02892	3.6
109.10171	58.4
119.08593	39.0
121.10149	27.4
123.11710	10.2
127.03951	22.4
133.10149	30.9
135.11661	15.0
141.01852	59.9
145.04956	24.2
145.10152	2.6
147.11699	52.3
159.02875	4.3
161.13280	17.7
163.05971	14.8
163.14772	3.5
175.14859	11.8
177.05518	2.3
203.17979	100.0
221.19008	10.2
261.08752	11.6
261.12469	3.0
262.09061	7.6
287.10324	18.6
288.10773	14.0
321.08145	9.0
383.33734	2.0
398.17184	3.9
399.17755	7.6
408.19293	3.8
409.19720	16.0
424.18744	7.1
425.18817	17.0
438.20239	8.2
439.20731	13.5
518.81952	2.2
546.23743	3.1
576.29236	21.2
594.29889	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	594.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04565	0.7
60.05648	1.3
70.06596	9.3
72.08148	2.9
79.42297	0.3
82.06596	2.0
84.05634	62.7
84.08154	1.5
92.17886	0.5
96.05626	3.6
97.06420	0.4
98.06053	0.4
98.07177	3.2
108.05620	0.4
110.07159	5.1
115.08699	0.4
122.07209	0.4
123.04342	1.4
124.05058	0.6
137.02318	0.6
138.06656	0.6
140.04572	1.6
141.06624	0.4
142.06154	0.6
143.06902	4.6
147.04420	0.7
154.06145	1.2
163.03894	2.5
168.07620	0.6
180.07695	0.4
183.07979	0.3
184.07170	2.4
198.08961	0.3
201.09242	0.4
220.09702	2.3
227.07109	0.4
231.06512	1.5
254.11397	1.7
265.08856	0.4
269.12878	6.2
271.06100	0.4
281.60385	0.4
282.11227	0.5
296.13937	1.3
309.88013	0.3
322.11819	1.3
324.13409	0.5
328.11746	0.5
340.12964	0.6
341.77649	0.4
342.14581	1.3
350.11414	2.1
352.12906	1.7
360.15652	1.7
368.12363	3.8
370.14017	4.9
386.13431	0.5
388.14963	3.5
396.11929	1.7
414.12845	6.7
432.09409	0.4
432.14059	6.0
432.19498	0.5
576.31720	0.7
594.19153	100.0
594.32123	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	4.6
55.01886	7.7
57.03439	3.6
61.02920	3.4
69.03436	25.0
70.06616	0.7
71.05011	4.1
72.08154	1.1
72.12724	0.4
73.02919	6.9
73.94185	0.5
79.94727	0.4
81.03428	21.8
85.02912	100.0
87.00838	34.9
87.04440	0.9
89.81532	0.5
91.03960	1.1
97.02899	42.1
99.03866	1.0
99.04462	18.2
105.01878	65.9
107.04948	4.9
109.02885	45.0
115.03931	1.1
117.01846	2.1
117.03349	0.5
121.06507	6.8
127.03921	90.4
129.01846	4.9
131.55057	0.6
141.01807	0.6
145.03868	1.2
145.04968	25.7
147.02911	3.0
148.38348	0.6
149.06000	10.4
159.02887	20.2
163.03893	2.2
167.07045	5.6
167.66136	0.5
173.05988	0.8
189.03986	3.4
191.07019	2.8
213.03954	12.0
215.07062	1.0
231.04997	37.4
233.08109	1.1
249.06061	22.9
253.07095	3.4
257.08173	3.0
271.07895	3.9
298.61368	0.6
343.08127	0.6
357.08151	3.3
361.09280	2.3
375.09286	3.8
379.10376	1.0
393.10242	13.2
403.52628	0.6
411.11447	7.6
415.55640	0.6
594.20813	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	593.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21690	0.2
70.06583	0.4
72.08160	12.9
78.71841	0.2
84.05122	0.4
84.05630	11.0
98.06068	0.3
120.89233	0.2
138.10265	0.8
155.12914	1.9
163.03912	0.3
196.49342	0.2
208.14447	1.3
213.68005	0.2
220.17075	0.4
226.15503	30.8
233.59846	0.2
280.20288	1.7
297.22855	100.0
394.40341	0.2
412.71722	0.2
507.17331	0.2
535.15417	0.2
593.22363	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	593.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85625	0.3
61.15394	0.3
61.77087	0.3
69.56445	0.4
70.06569	0.3
79.05482	0.5
81.07069	1.3
81.13458	0.4
86.03291	0.4
86.09698	0.5
93.06985	0.4
95.08556	0.5
96.69911	0.3
97.06538	0.4
109.10149	1.7
120.08068	0.6
121.10161	0.5
122.06041	3.3
122.09673	0.6
137.13263	0.4
138.09137	1.5
148.07553	0.5
164.07056	2.7
178.12241	1.5
184.06010	0.6
187.12146	0.4
187.14723	0.4
217.09753	2.6
219.17522	0.4
225.84039	0.3
233.09215	1.4
235.10783	1.5
243.11307	5.0
254.92729	0.4
259.10782	1.3
261.08704	65.1
261.12122	2.7
271.10837	6.2
286.12463	0.4
287.10263	100.0
301.07578	0.5
303.09946	0.7
332.13116	2.7
333.13495	0.8
336.13327	0.4
337.15451	0.5
356.14703	0.5
364.16891	0.6
368.86945	0.4
379.15314	1.6
380.15768	0.9
380.20032	0.6
391.16376	1.5
396.15497	0.7
398.17075	24.3
408.19232	28.6
412.18646	0.6
424.18781	25.8
438.20218	6.2
489.25418	0.5
517.24384	1.8
527.22205	0.5
545.28387	2.8
563.24780	14.7
575.28711	24.3
593.29712	13.2
617.92426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98561	0.6
60.81033	0.6
63.72500	0.7
70.06606	0.8
72.08154	0.7
81.07034	0.8
102.22713	0.6
103.50032	0.6
110.06104	1.2
111.15755	0.7
134.73802	0.7
136.07629	1.8
146.49109	0.8
151.11151	1.1
154.08687	1.2
163.03897	1.4
164.07094	3.3
182.08134	3.5
196.13351	0.9
217.09648	0.7
233.57600	0.7
235.10741	1.3
243.11284	6.6
245.09143	1.4
259.10764	0.8
261.08698	67.1
269.08945	0.7
271.10739	15.6
287.10266	92.8
288.13550	1.2
309.27899	0.8
314.11365	2.3
348.17221	1.2
353.10184	0.9
364.20154	6.1
376.12814	0.8
376.20282	1.3
379.15579	2.4
380.19879	1.4
382.21378	10.2
391.16519	4.6
394.21307	3.6
398.17166	14.8
402.18265	1.5
406.17776	1.2
407.18356	3.0
408.19257	100.0
420.19229	14.2
424.18805	16.8
438.20288	16.1
545.28156	10.5
563.29047	6.9
575.28723	90.6
575.35449	1.2
575.38312	1.1
593.30042	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74287	0.4
89.03964	0.4
93.06988	0.5
102.97010	0.4
110.05965	1.8
122.05989	0.7
130.91490	0.4
136.07466	0.7
138.09084	0.7
140.06975	0.6
163.03734	0.5
164.06969	0.6
164.10709	1.0
168.37230	0.4
182.08174	1.0
191.06947	0.5
192.07748	2.6
243.11189	0.7
245.09218	0.7
245.12512	0.5
261.08737	4.6
271.10764	13.7
284.11414	0.6
285.12234	0.6
287.10376	5.8
315.13321	2.5
348.17188	0.9
364.12848	0.9
364.20212	6.5
365.18713	2.0
379.15277	1.7
380.19702	4.1
381.20636	0.5
382.21255	11.1
391.16452	5.6
394.21201	0.8
398.16895	0.7
407.18216	4.3
408.19189	100.0
412.22302	1.8
420.18988	2.2
424.18445	0.8
433.77792	0.5
438.20187	15.5
500.23386	0.4
545.27856	0.9
563.28729	8.8
575.28680	1.9
593.29749	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93459	0.6
62.31556	0.5
68.79659	0.6
69.07063	0.7
70.06592	1.5
71.17191	0.6
72.08181	0.7
80.30560	0.7
81.07085	0.8
85.02917	0.8
92.18489	1.0
93.07076	0.7
95.08641	0.7
120.17709	0.7
122.06065	1.3
124.07639	2.4
151.11201	0.7
162.09196	1.2
163.03976	1.3
164.07085	1.3
166.08626	1.3
166.12373	0.7
167.94374	0.6
178.12276	0.8
196.13449	1.0
217.09853	1.2
235.10709	1.9
243.11287	9.9
261.08701	88.0
261.12262	4.1
263.47742	0.6
271.11099	1.0
285.12463	3.1
287.10269	100.0
299.05801	0.7
315.13492	1.2
353.40240	0.6
364.12878	4.5
364.20514	0.9
378.18781	0.8
380.19962	0.9
382.21591	1.4
394.21625	1.1
398.17105	17.4
398.21722	1.0
408.19183	55.8
410.19998	0.7
410.85461	0.7
412.22757	0.7
424.18634	19.1
424.24307	1.0
426.20111	7.5
438.20248	76.0
456.21643	5.3
545.27454	0.7
563.28680	8.1
575.28711	76.6
593.29816	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38313	5.0
74.19711	6.0
81.35181	4.9
101.03311	5.2
131.29240	5.2
167.06987	7.2
173.18851	5.3
187.20816	5.4
196.80020	5.6
219.54834	5.8
261.08734	77.5
268.48004	5.9
271.10727	8.7
287.10251	100.0
398.16995	9.3
407.17874	8.4
408.19193	91.2
424.18750	19.7
438.20422	47.3
456.21375	26.9
535.36365	6.1
575.28766	100.0
593.29456	72.6
601.67407	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	593.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45440	1.7
60.16747	1.7
66.87943	2.4
79.49233	1.7
88.03326	1.6
92.17820	2.3
95.66369	2.0
153.46982	1.9
164.10747	8.1
165.82608	1.9
241.13293	2.2
245.09216	4.5
271.10800	9.1
284.11572	33.8
285.12344	100.0
316.15384	2.2
372.43268	2.0
382.21481	2.4
391.16461	9.4
402.18112	8.4
408.19144	37.7
420.19305	2.4
422.20929	2.5
438.20248	28.3
575.28674	77.8
593.29761	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	593.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44687	0.4
76.54414	0.4
87.57852	0.4
92.84521	0.4
122.06004	0.5
157.61603	0.4
164.10698	1.7
178.12224	0.8
195.37518	0.4
243.11226	0.8
245.09125	1.1
261.08676	21.6
271.10776	23.7
283.84506	0.4
285.12375	5.3
287.10254	25.0
364.12903	2.9
364.20294	1.7
379.15240	4.1
380.19653	2.4
382.21225	1.0
390.18076	0.5
391.16513	6.6
393.17877	0.5
398.17087	2.3
402.18494	0.5
407.18344	2.1
408.19196	100.0
420.19202	1.0
424.18692	0.9
438.15659	0.7
438.20248	27.9
545.27557	4.8
575.28674	91.3
593.29626	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	593.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
54.01846	3.0
56.45780	2.8
57.03450	23.0
64.74337	2.6
69.03415	14.5
79.15073	3.3
81.03423	6.0
81.07059	7.0
85.02901	21.7
87.00828	6.9
91.05451	3.8
95.08601	12.4
97.02901	4.3
109.02913	25.3
109.10212	4.2
117.05497	77.2
123.11651	3.3
127.03938	17.5
133.71800	3.4
137.59839	3.2
164.10712	7.2
167.07057	3.4
216.19629	3.1
229.21614	14.7
245.09180	6.6
259.14441	5.9
271.10812	7.5
284.11560	40.6
285.12347	79.2
391.16425	16.1
402.18179	5.5
408.19077	36.6
422.20810	6.3
430.23486	7.2
438.20239	40.3
495.44211	4.0
575.28656	100.0
593.29529	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	593.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84356	0.3
52.51094	0.3
56.08479	0.3
58.61801	0.3
67.05505	0.4
75.54003	0.3
84.04484	1.6
85.02914	0.4
88.11275	3.0
92.17818	0.8
98.06070	0.7
114.09205	0.5
116.38004	0.4
121.06473	0.5
131.05026	0.5
141.05495	1.5
144.65665	0.3
149.05974	2.1
151.03908	100.0
151.74948	0.4
153.13918	1.5
167.07034	0.5
171.14906	4.9
177.05453	2.0
179.07063	0.4
181.08559	0.6
186.09192	0.5
191.07024	0.6
192.07828	3.4
199.14427	10.4
200.12944	0.5
209.08058	4.5
313.10446	0.5
329.10278	1.9
341.10208	0.9
353.10248	0.9
359.11234	5.9
367.18982	0.8
377.12494	3.7
413.12183	0.5
437.84125	0.4
441.73880	0.4
545.25000	1.8
575.25897	3.0
593.26935	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	593.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28112	1.0
69.03429	4.2
70.06607	1.3
72.08159	2.0
73.56403	0.9
81.07098	1.1
85.02905	1.1
86.09711	1.0
94.06596	0.9
95.08617	1.6
109.10137	0.9
122.06046	7.0
122.09712	6.7
123.08099	1.6
133.10153	1.8
136.07584	6.1
138.09077	1.1
147.11681	0.9
151.11206	0.9
164.07082	6.9
167.07076	1.6
236.10368	1.5
243.11299	4.4
244.09566	1.3
250.43414	1.0
261.08701	60.0
270.08752	3.7
270.49908	0.9
271.10703	1.9
287.10275	96.6
288.10660	1.4
288.13559	3.5
298.11835	1.3
311.65292	0.9
314.11432	15.3
320.14032	5.9
321.14728	2.2
331.13324	1.1
334.15549	3.8
336.17044	9.8
344.15958	1.8
346.15543	5.7
352.12759	1.1
352.16696	4.0
354.18063	14.3
360.17056	1.2
362.15121	3.7
364.12552	1.4
364.16592	15.4
365.14154	0.9
378.18109	1.2
379.12561	1.6
380.16064	72.9
382.17615	28.5
388.16479	6.0
390.14209	8.5
392.15976	1.9
396.00677	1.1
398.17075	23.3
400.18396	1.5
406.17569	15.0
408.15295	65.7
424.14157	1.3
424.18878	31.4
426.20306	1.7
430.19611	1.8
438.20218	5.4
443.41415	1.3
456.17450	3.6
457.33606	1.2
509.22430	1.1
527.22937	16.5
545.23938	100.0
557.23724	1.7
563.26245	2.0
575.25281	15.8
593.27057	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45680	0.4
52.31891	0.5
53.00304	0.5
54.07535	0.5
55.05511	0.9
60.88677	0.5
70.06590	2.0
72.08160	70.1
81.03411	3.6
89.10794	0.8
92.31049	0.5
98.02408	1.1
98.06049	2.2
109.02894	6.2
110.02406	59.2
117.07046	0.6
123.04434	2.1
127.08701	0.5
128.03485	0.8
135.04456	0.7
151.08673	0.9
152.07069	69.1
158.51680	0.5
161.06000	2.0
163.03888	2.6
169.09718	37.3
170.08107	5.5
189.05470	1.1
208.24084	0.6
210.10298	0.5
232.73540	0.5
234.11223	1.0
251.07039	1.1
269.08054	2.0
279.06461	2.7
297.07516	3.4
314.12225	0.9
325.07220	0.7
331.15009	4.1
332.13400	2.9
396.14426	0.8
413.17059	4.4
471.93616	0.6
543.91150	0.6
575.22638	2.7
590.11560	0.7
593.23383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84232	0.3
71.11266	0.3
72.08161	49.6
79.15412	0.3
85.82361	0.3
89.03914	0.7
89.10793	18.0
89.88657	0.4
98.06041	1.5
99.00440	0.4
109.02824	0.9
110.02405	0.7
115.08704	0.8
117.03372	0.7
124.87086	0.4
135.04420	3.5
142.09718	0.4
145.02838	5.4
148.59280	0.4
152.07082	0.5
163.03899	100.0
169.09680	0.4
180.06566	0.5
234.11249	30.2
251.13878	15.4
256.60989	0.4
267.25763	0.4
296.42001	0.4
448.12875	0.4
504.14270	0.4
576.20557	0.5
593.23419	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	593.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79059	0.3
70.06581	0.4
72.08141	1.7
78.04844	0.3
92.17815	0.5
109.56990	0.3
110.06023	0.6
118.06533	3.4
123.04324	0.4
130.06531	0.3
132.08095	2.6
132.16682	0.3
133.99219	0.3
144.08093	6.5
146.06017	43.9
147.04414	0.3
159.09154	5.2
163.03951	0.5
170.06024	1.8
188.07069	100.0
189.07368	0.5
205.09731	38.8
251.13936	0.4
265.33585	0.3
268.18622	0.3
593.23828	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	593.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	1.3
51.58999	0.9
62.01586	1.0
63.02375	4.6
65.03951	1.5
70.06597	0.8
75.02363	1.4
77.03927	3.9
81.07085	1.1
89.03931	7.3
89.57207	0.9
90.04711	1.9
91.05473	5.4
93.93794	0.9
95.04964	1.9
103.05487	4.4
107.04966	2.1
107.08546	1.1
115.05460	8.6
116.04999	1.4
117.05766	6.4
128.06288	1.0
130.06567	1.5
131.04927	9.3
132.05692	13.2
132.08109	1.3
142.06552	1.2
144.83470	1.1
146.06041	2.1
159.04419	8.4
160.05223	14.9
160.07585	21.1
161.06004	1.6
163.03792	1.1
163.07521	4.5
167.07086	6.5
168.08066	1.4
170.05991	3.7
173.09647	1.1
174.09145	1.1
177.05429	7.8
179.07036	3.6
180.07790	9.1
181.04881	1.5
186.09138	18.7
187.03946	3.8
191.07024	24.1
192.07825	100.0
199.03912	9.0
202.10971	5.3
207.06482	1.7
209.08133	1.9
210.08855	1.6
212.07378	1.1
217.04984	2.2
217.13385	1.4
265.08661	1.2
321.07568	3.9
327.16055	1.6
335.09268	3.2
353.10217	19.0
371.11224	13.3
413.12323	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	593.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43179	1.1
60.08167	1.4
82.60063	1.2
103.05424	1.3
105.03381	1.4
105.07039	1.5
131.04938	15.3
132.05704	18.0
133.06461	2.4
147.20459	1.4
149.05980	1.6
151.03888	20.2
151.04976	1.4
159.04399	2.1
160.05190	17.9
161.02419	1.8
161.05984	28.2
163.03941	1.9
163.07542	1.6
166.12119	1.5
167.07021	5.7
171.14932	1.3
176.04631	1.4
177.05461	6.1
178.02046	1.4
179.07054	2.8
180.07845	7.7
181.08592	1.5
191.07036	23.8
192.07819	100.0
193.08609	3.0
193.93941	1.6
199.03902	7.4
199.14415	2.7
207.06557	9.2
209.08130	8.8
210.08916	1.5
217.05034	2.0
251.06902	1.5
251.09111	11.9
252.09912	8.4
261.08585	2.0
287.10269	7.7
293.08224	1.9
321.07629	16.0
353.10251	42.8
359.11374	1.4
395.18564	1.6
398.17224	7.8
413.12335	23.4
424.19205	2.2
459.78729	1.3
517.24414	2.6
545.23859	1.6
563.25354	5.1
593.28394	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	593.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.70643	0.3
62.76530	0.3
63.02362	0.3
63.15665	0.3
65.52344	0.3
70.39984	0.3
70.66582	0.3
81.03418	1.6
89.03907	0.8
91.05486	0.6
94.86022	0.3
103.05453	2.9
104.06241	0.6
105.07018	0.3
107.04942	2.1
109.02885	0.4
113.13554	0.4
115.05438	0.5
117.05767	0.6
123.04381	0.4
131.04938	8.4
132.05713	13.0
133.02837	0.7
133.06490	0.6
133.25256	0.3
146.05946	0.4
148.05220	0.6
149.03516	0.3
149.05957	1.6
151.07526	0.6
154.06207	0.5
154.08586	0.5
159.04414	6.4
160.05191	13.4
160.07576	2.0
161.05957	3.3
162.06856	0.6
163.03871	1.6
163.07561	3.2
165.05421	0.5
167.07016	5.6
170.05974	0.4
170.09602	0.5
171.04384	1.6
173.02394	0.5
173.06001	0.5
175.21364	0.3
176.04700	0.7
177.05486	8.1
179.07043	4.7
180.07808	8.3
181.04912	0.5
181.08606	0.8
182.09412	1.8
185.00018	0.3
186.09109	1.4
187.03894	4.6
191.07033	26.2
192.07814	100.0
193.08502	0.8
199.03918	9.7
202.11099	0.4
207.06514	3.2
209.08066	1.9
210.08870	2.3
217.04955	8.1
219.07903	0.7
233.06078	0.6
247.07484	0.8
259.05978	0.8
261.05499	0.4
261.08798	1.6
265.08621	1.5
271.33112	0.3
275.07095	0.8
278.05811	0.4
287.10260	1.5
292.07388	0.5
293.08005	1.2
303.06613	0.5
309.07700	0.5
321.07712	2.7
325.10706	1.8
327.07764	0.4
335.09180	2.7
341.10126	0.8
353.10211	19.4
371.11249	15.0
382.21225	0.8
398.17569	0.4
408.19376	2.3
413.12305	21.3
413.17822	0.7
424.18710	0.6
438.20197	1.9
568.16547	0.4
575.28583	1.7
593.18896	0.6
593.28992	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	593.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44619	0.3
58.06219	0.4
69.11472	0.4
69.72671	0.4
71.29067	0.3
79.93758	0.4
93.98071	0.4
94.92992	0.4
111.24895	0.4
111.50080	0.5
250.97188	100.0
301.87601	0.4
381.07925	2.5
624.98914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1846
Annotation	BUDDLEOFLAVONOLOSIDE
Peak:m/z	Relative Intensity
58.03677	0.4
62.36826	0.4
98.06079	0.5
137.06023	0.6
144.08134	0.6
167.07062	2.9
170.09552	0.6
176.04475	0.5
189.05246	18.2
217.08388	1.8
220.03453	3.6
233.04288	2.2
233.07829	3.4
365.12183	2.3
379.13605	9.4
415.10004	1.9
430.12521	1.0
430.42810	0.5
431.13110	5.7
498.33136	0.5
593.18451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.2
58.69280	1.5
60.04518	2.8
63.20228	1.5
67.05500	1.9
71.04977	1.5
79.05501	3.0
81.07056	7.4
82.06571	1.6
91.05473	2.3
93.07050	19.2
94.06572	9.6
95.08606	15.9
97.06544	2.2
105.07014	3.1
110.09689	8.6
111.08093	11.1
122.09668	25.1
123.08076	21.1
128.10715	31.7
140.10707	87.6
140.11783	3.0
141.09094	3.3
144.16634	1.6
158.11768	8.2
165.17358	1.8
166.20544	1.5
217.61670	1.6
265.44778	1.4
277.19800	1.7
382.33057	3.0
394.33218	6.4
412.34213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56996	7.6
76.02233	76.4
108.30265	7.3
119.70496	7.5
141.96793	8.0
144.01189	8.0
144.76593	8.4
162.02213	60.1
166.42273	8.0
177.05470	8.8
179.04858	19.6
189.12764	14.7
201.12761	8.9
229.15955	7.9
285.22189	20.0
308.09073	100.0
473.50830	11.3
507.22522	9.6
559.83740	11.0
610.42810	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	592.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26495	3.7
55.05507	16.6
67.05489	3.7
69.07070	18.0
79.05462	5.5
81.07054	6.9
83.08616	71.8
97.10156	52.7
107.08594	16.5
111.08063	31.7
125.05984	10.4
125.09621	70.6
135.08023	6.6
139.07535	9.2
143.07028	21.8
153.09105	7.7
157.08606	27.5
171.10162	9.0
172.86740	4.2
175.09668	27.5
189.11214	36.0
190.00752	5.4
213.11182	49.2
227.12788	100.0
245.13808	7.5
267.36465	4.3
369.18985	10.5
383.20987	5.2
387.20023	46.9
397.22394	7.1
401.21756	29.0
415.23282	19.2
532.20465	4.9
539.28503	56.3
544.72949	4.6
557.29559	63.8
559.41791	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	592.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33836	0.7
52.68280	0.8
53.03952	5.0
55.01873	3.2
56.93771	0.7
57.03441	3.0
61.02931	3.9
63.22348	0.7
66.85071	0.7
69.03098	1.2
69.03440	20.3
70.20084	0.8
71.04996	2.9
73.02932	6.3
77.03799	0.7
81.03425	19.4
85.02911	75.4
87.00304	1.2
87.00838	29.7
87.04469	0.8
89.88560	0.7
91.05481	1.4
95.04964	0.9
97.02898	40.9
99.04459	12.7
102.10375	0.7
103.05483	18.2
105.01877	53.6
109.02153	1.8
109.02882	43.8
118.96194	0.8
121.06516	5.5
123.04433	32.5
127.03918	73.3
129.01840	3.1
145.04962	18.5
147.04416	100.0
159.02870	12.4
162.35512	0.8
165.05473	40.3
213.03946	10.4
219.32562	0.8
231.04984	29.2
249.06064	16.1
253.07213	2.8
271.08170	1.7
357.07953	2.7
359.07800	1.2
371.17017	0.8
375.09164	4.0
377.08737	3.2
393.10190	7.4
395.09683	13.9
411.11325	4.9
557.15247	2.9
557.76532	0.9
592.19537	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14399	1.3
60.65509	1.5
81.07081	1.8
85.06535	1.8
92.17822	3.0
93.07034	1.7
122.06071	1.6
122.09631	1.8
128.03116	1.6
136.07610	1.6
161.13286	3.2
164.07086	6.6
177.05551	3.3
233.09274	5.8
235.10811	10.3
261.12326	11.2
336.13568	8.2
350.15067	2.9
351.15909	6.6
377.13690	2.4
378.18225	12.6
380.19711	10.9
392.19751	8.8
394.87332	1.6
398.21033	2.2
406.17609	75.8
408.19238	3.0
410.20798	5.9
422.17572	2.4
428.21793	6.0
436.18701	44.6
454.19858	8.3
573.27045	18.9
591.28235	100.0
591.37677	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	591.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21774	1.3
62.11544	1.4
71.47691	1.3
84.04504	2.2
86.83020	1.7
88.11271	3.3
107.07366	2.0
122.09667	66.2
151.03914	100.0
151.04964	3.8
153.13889	3.2
171.14948	9.9
181.04964	67.0
191.81104	1.4
195.06596	3.6
196.88628	1.4
199.14418	17.7
202.15137	1.7
217.09717	7.1
225.07498	1.7
235.10881	2.0
261.08636	3.5
287.10303	1.7
301.11819	1.7
375.10696	18.4
392.15872	3.2
406.18063	1.8
408.19247	22.1
426.20160	9.4
434.16898	6.1
452.18536	2.1
470.18945	2.7
509.24948	1.5
591.28082	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98042	0.9
57.07060	0.9
58.47528	0.8
62.24472	0.8
67.05524	1.6
69.03434	1.3
69.07079	8.0
69.07382	0.9
70.06593	40.1
71.04980	1.0
72.08147	1.4
78.48287	1.0
79.05511	0.9
81.03420	1.3
81.07056	14.6
83.08617	1.2
84.08143	1.2
85.02903	5.0
85.06557	3.1
86.09693	1.4
92.17930	1.2
93.07030	4.2
95.04958	1.7
95.08608	10.8
97.02883	1.6
97.06524	1.4
99.08113	1.1
101.05944	1.0
105.07050	1.4
105.74431	1.0
107.08604	4.3
109.06452	0.9
109.10175	7.0
111.08086	2.1
115.08677	1.8
116.10693	1.4
121.10141	2.2
122.09641	4.2
123.11658	6.6
124.07590	1.7
127.03910	1.9
133.10104	1.2
135.11700	5.1
137.13164	2.5
145.10172	0.9
147.11678	1.8
149.09607	0.9
149.13254	1.9
153.11726	0.9
153.12752	9.0
159.11600	1.0
161.13272	4.5
163.03941	2.0
165.12767	1.0
177.19896	1.0
190.48616	0.9
209.12750	1.0
213.16597	1.0
226.14394	3.9
227.14751	1.5
244.15414	5.1
245.15797	5.2
255.21123	2.2
261.08792	5.3
285.12402	3.5
287.10263	19.4
289.25320	4.8
301.11938	1.1
307.26273	14.5
315.13397	3.6
317.11243	3.3
325.27374	8.6
326.23123	1.0
327.23596	0.9
331.12854	6.4
343.23166	4.6
343.28464	14.8
347.15994	1.2
362.18857	1.3
380.19641	7.2
406.17609	53.7
407.18048	3.8
408.18820	9.5
424.18649	5.3
426.20398	2.2
435.27301	1.4
438.20813	1.4
452.18158	49.1
452.24155	1.9
453.18411	1.2
454.18939	5.3
478.25467	15.9
544.24377	1.2
555.31445	1.3
561.26971	5.9
573.27441	2.0
591.28040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
56.05846	0.2
67.05481	0.3
69.07048	1.6
70.06548	0.4
71.04976	0.4
72.08121	0.3
74.95001	0.2
79.05482	0.3
81.07050	2.4
85.02878	1.1
93.07005	1.6
95.04996	0.3
95.08612	1.9
96.84644	0.2
98.63691	0.2
107.08588	0.9
109.02823	0.5
109.10152	2.1
110.06028	0.3
111.11676	1.0
113.05984	1.3
119.08497	0.4
121.10145	6.4
122.05975	0.5
122.09674	4.9
124.07552	1.3
127.03864	0.5
127.11144	0.3
135.11655	1.0
137.13231	0.3
138.05486	1.1
138.09140	1.2
139.11176	2.0
148.07585	16.9
153.12732	0.6
156.06554	4.7
157.04861	0.4
157.12259	2.5
159.00989	0.3
171.13846	0.2
184.06058	26.0
190.67508	0.3
217.09764	0.3
243.11366	0.5
245.09164	0.5
257.12814	0.6
261.08722	2.6
262.09027	0.5
267.11230	1.0
285.12335	18.7
286.10651	0.5
287.10181	0.5
301.11908	0.3
303.13373	1.3
307.26315	1.4
314.10254	0.4
315.13364	0.6
325.27420	1.0
331.12881	100.0
332.13718	4.2
333.14389	0.3
343.28491	0.5
370.98239	0.3
380.19751	0.3
382.20581	0.3
406.17535	1.8
408.18988	0.5
426.20090	0.5
434.16818	0.3
452.18228	3.7
453.18594	1.1
454.19009	1.7
573.27448	0.5
591.28058	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27325	1.6
83.30679	1.8
85.02934	2.0
88.11267	4.5
117.90978	2.1
122.09666	24.3
123.84917	2.2
144.32339	2.4
151.03903	100.0
151.05009	4.3
153.09914	2.4
153.13823	2.6
163.03937	3.0
171.14915	16.0
181.03482	3.5
181.04948	64.5
181.06436	3.6
192.76820	2.2
195.06598	2.3
199.14394	21.0
225.07777	2.7
375.10614	22.8
447.25244	2.2
591.26056	19.8
595.20203	2.2
602.99286	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	591.2819
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
51.52719	0.6
56.05610	0.5
56.69655	0.6
57.41946	0.5
62.87985	0.6
63.36266	0.5
69.69711	0.6
71.52245	0.6
81.54216	0.5
84.83534	0.6
94.06564	1.1
100.66846	0.7
104.39066	0.6
116.50629	0.6
120.08140	0.8
122.06036	5.2
138.09140	8.8
148.07588	10.9
156.06529	2.9
166.04980	1.3
168.06514	1.4
184.06042	13.1
225.10306	3.7
226.11047	0.7
227.11855	1.5
239.11708	5.9
241.09689	2.8
241.13495	0.8
242.10217	1.0
243.11310	0.9
250.08562	0.7
253.09740	7.1
255.11252	11.8
257.12842	1.0
258.27396	0.7
259.14392	1.2
267.11285	10.7
269.12943	2.5
271.10666	2.5
285.12292	15.7
286.10364	1.0
286.13159	13.0
295.10760	15.4
296.11646	0.7
297.12180	0.9
303.13428	1.4
313.11823	100.0
314.12585	28.9
315.13370	23.1
331.12872	75.8
331.16980	1.5
332.13690	3.3
333.14423	4.6
408.19220	0.9
469.87823	0.7
545.27582	2.8
573.27136	30.8
591.19183	1.0
591.28143	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	591.224
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09025	8.5
70.50421	7.5
74.91431	7.7
78.14141	7.9
91.05478	18.4
119.04942	33.3
145.03023	7.9
147.04393	10.7
167.07056	11.1
195.65350	8.7
211.15874	8.3
273.09454	9.5
276.07922	36.4
289.08655	15.0
319.09708	47.7
320.10675	8.5
321.11115	34.5
351.12262	100.0
352.12509	9.7
521.93634	7.7
589.24164	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	591.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18049	0.4
70.06587	1.0
72.08157	6.5
84.08105	0.5
89.03893	0.7
89.10783	3.4
107.26945	0.5
115.08678	1.2
117.03359	1.0
143.06938	0.7
145.02841	10.7
163.03934	3.0
177.05470	100.0
248.12793	6.4
265.15457	51.9
330.08240	0.6
553.14355	0.6
591.21515	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	591.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12545	3.7
53.84872	4.2
54.19334	3.7
62.63634	4.4
64.22484	3.9
66.52327	4.2
79.60294	5.0
91.05463	17.7
91.05994	4.2
105.07079	4.4
109.06506	6.0
112.36765	5.0
119.04946	25.3
121.04662	4.0
137.05951	6.0
139.69856	4.9
147.04420	9.0
151.07523	7.5
167.07051	18.2
187.07526	5.5
199.07594	5.2
233.09541	5.9
259.07529	6.8
261.09140	8.8
263.10800	6.0
273.09036	4.7
276.07797	30.4
277.08664	10.9
289.08704	24.3
290.09366	9.4
291.10223	5.9
304.07352	9.3
309.11252	18.6
319.09595	49.0
321.11316	31.8
323.12692	7.1
351.12277	100.0
352.13089	22.1
353.13925	6.7
534.14203	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	591.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48796	0.8
55.01857	0.9
55.05511	3.5
56.65215	0.7
58.39478	0.6
60.04244	0.6
69.03421	1.2
69.24922	0.7
70.06597	7.3
71.83311	0.6
72.08167	14.2
81.03419	2.6
85.02901	1.1
86.19663	0.6
89.10783	1.2
92.18388	0.9
93.42908	0.7
98.06065	27.1
109.02881	1.7
112.61152	0.8
115.07948	1.0
115.08707	16.5
123.04447	2.7
127.08691	1.2
133.02863	3.9
135.04453	6.7
136.05200	3.3
137.05994	1.1
145.99922	0.8
147.04427	2.9
151.03909	1.7
161.02354	2.8
163.03911	17.5
187.03989	4.6
188.07100	1.4
203.06602	2.9
205.09801	0.9
221.06007	0.9
226.21130	0.7
233.05974	1.6
233.10461	0.9
234.11284	6.6
249.05452	6.6
250.13219	1.5
251.07088	1.7
263.28821	0.8
267.06598	3.2
277.04959	14.0
279.06525	9.0
281.61649	0.7
295.06033	51.4
297.07593	7.0
305.04459	5.7
323.05521	72.3
373.17062	1.0
411.15738	5.9
431.16678	0.7
452.03525	0.8
485.10956	1.8
536.68213	0.7
574.19220	1.2
591.21875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05522	5.9
56.30773	0.4
60.20285	0.4
62.76334	0.4
69.03442	0.6
69.05807	1.1
70.06597	9.8
71.13513	0.5
72.08163	18.1
75.82209	0.5
81.03407	2.6
87.91123	0.4
89.10789	2.9
95.05017	1.3
98.06062	40.0
99.09212	1.1
107.04965	1.9
109.02868	0.6
115.08700	24.7
120.82494	0.5
123.04427	11.1
127.08679	1.9
133.02858	12.9
135.04422	27.3
136.05203	14.8
137.02365	4.2
137.06013	4.3
145.02859	3.3
147.04436	6.5
151.03940	4.3
152.04674	3.1
159.04442	2.3
161.02330	14.3
162.03123	2.1
163.03903	52.5
164.04637	0.7
173.02359	1.0
178.04958	1.9
187.03909	26.7
191.03404	0.7
192.10172	0.5
205.06541	1.1
221.10498	2.0
222.11385	0.5
223.07607	3.4
225.05647	0.6
232.09657	3.2
233.06020	4.4
233.10460	2.6
234.11270	10.3
249.12341	3.6
250.13071	6.6
251.07025	7.3
251.13898	2.3
253.05086	0.7
255.06467	1.1
261.05527	2.1
269.08066	3.6
273.07730	0.5
275.10281	0.9
279.06534	9.3
295.06033	3.6
297.07587	45.0
313.07028	0.5
318.47760	0.5
323.05392	3.4
330.33890	0.5
353.08609	0.5
394.12717	0.5
411.15509	44.3
429.16302	0.6
469.27390	0.5
475.12231	0.8
539.86493	0.5
574.19403	0.5
591.21881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01265	0.5
55.05526	11.0
56.01386	0.8
62.33936	0.6
62.57339	0.5
69.05803	3.0
70.06599	18.6
72.08162	29.3
77.43922	0.5
78.37560	0.6
81.03423	2.5
84.05620	0.9
87.40067	0.6
89.10806	5.4
92.18491	1.0
98.06060	63.1
99.06859	0.9
99.09182	0.6
101.29122	0.7
101.35211	0.8
107.04908	0.7
108.67144	0.6
115.08696	45.6
117.54640	0.6
123.04411	5.1
127.08676	2.9
133.02867	10.2
134.03648	0.6
135.04419	13.1
136.05194	7.1
137.06023	1.3
147.04439	2.6
151.03929	4.2
161.02321	4.4
162.03087	0.8
163.03902	44.1
164.04655	2.9
166.97398	0.6
173.02364	0.8
178.05032	1.2
179.92024	0.7
187.03923	5.3
207.06567	2.5
208.06876	1.4
209.89673	0.7
218.95406	0.7
221.10425	1.5
222.11128	1.0
224.13939	0.9
232.09712	1.6
233.06004	2.5
233.10498	5.8
234.11238	17.4
242.15100	0.9
243.15347	0.9
249.12398	1.1
250.13104	8.7
251.07114	1.2
251.13928	3.2
261.05426	1.4
272.01157	0.8
279.06531	4.3
295.06195	2.5
297.07553	12.9
323.05374	1.5
353.08981	0.8
363.53030	0.8
411.15506	27.5
475.11929	1.4
573.97314	0.8
574.19604	1.1
591.21899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42647	1.0
55.01880	0.9
55.05516	6.9
57.14188	0.9
69.05827	1.8
70.06601	11.7
71.38836	1.0
71.76611	1.0
72.08165	23.3
73.06113	1.0
81.50311	1.0
85.02911	2.3
89.10806	1.6
98.06063	43.9
107.04938	1.2
115.08699	27.1
123.04482	6.3
127.08678	1.3
129.10243	1.2
133.02893	4.6
135.04410	11.8
136.05197	6.2
137.06035	2.0
144.08051	1.4
147.04395	2.6
151.03880	1.7
161.02310	4.9
163.03903	26.4
187.03906	13.5
217.09799	1.4
221.10461	1.9
234.11288	7.7
248.06961	1.1
249.12422	2.0
250.13077	4.7
251.07004	2.3
279.06534	4.3
295.05957	4.7
297.07645	15.3
313.07092	2.5
323.05539	5.1
411.15640	12.1
475.12552	2.2
559.15448	1.3
591.21844	100.0
591.29248	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	591.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
55.05520	7.0
57.83020	0.7
67.60964	0.8
69.03389	0.8
69.05791	1.8
69.58813	0.7
70.06586	11.1
71.82338	0.7
72.08156	22.8
81.03400	2.9
89.10789	3.1
95.04957	0.9
98.06058	39.4
99.09206	1.4
107.04962	1.8
109.02874	1.1
115.07936	1.6
115.08689	28.3
123.04428	12.8
127.08721	1.6
133.02853	12.3
135.04422	29.4
136.05197	18.4
137.02345	3.8
137.05972	4.6
145.02856	4.3
147.04395	8.5
151.03925	8.0
152.04686	4.3
159.04431	1.7
161.02344	14.1
161.06013	0.8
162.03110	1.4
163.03905	57.7
178.05003	1.4
178.26933	0.7
187.03911	30.0
187.17732	0.8
200.10889	0.8
202.69185	0.9
205.06587	1.0
221.10500	1.2
223.07590	3.5
232.09608	1.7
233.06000	3.7
233.10448	3.1
234.11250	9.6
249.05554	1.0
249.12428	1.9
250.13011	7.3
251.07121	6.5
251.13910	1.1
253.04872	0.9
261.05453	1.8
269.08014	4.7
275.10471	0.8
279.06491	11.8
281.04510	0.9
295.06064	4.5
297.07578	43.6
323.05524	4.3
411.15503	44.3
475.12708	1.0
591.21808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08160	46.7
81.03368	1.4
89.10769	1.2
98.06001	1.5
109.02843	1.4
115.08629	1.2
123.04398	0.3
137.02309	0.6
160.05176	1.6
163.03905	0.7
165.03853	0.3
187.03899	6.0
205.06471	0.4
221.05948	0.7
223.07527	1.8
230.04475	2.1
231.02831	1.6
233.05995	1.2
242.04475	1.3
249.05438	3.4
251.07002	8.3
267.06543	1.9
269.08072	7.8
277.05008	2.3
279.06577	2.8
285.07486	2.3
295.06012	100.0
297.07529	1.6
313.07053	1.5
323.05615	3.0
341.06601	0.5
366.13348	0.4
394.12906	3.2
411.15515	11.6
573.20770	0.4
591.21869	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06745	1.0
54.08503	1.1
54.75917	1.0
58.15843	1.2
81.90600	1.2
92.18340	1.4
94.93018	40.7
150.91890	1.5
206.88600	23.1
244.15224	1.2
248.89647	100.0
338.19144	1.2
532.35822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96527	2.1
55.01844	3.0
55.94928	2.4
69.89536	2.7
70.06577	5.1
72.08150	13.0
72.33403	2.3
74.97462	2.4
80.80491	2.4
85.02902	10.7
105.03486	3.1
137.06035	3.3
147.04446	16.1
150.06792	4.0
151.03940	12.3
161.06059	3.6
162.06747	18.5
163.03891	4.7
163.31136	2.7
175.07581	2.8
177.05502	5.5
311.09134	3.2
320.06668	4.3
321.07538	43.4
333.07620	18.6
347.09097	22.9
351.08633	51.8
359.09109	5.0
361.10843	15.8
363.08594	47.5
371.09103	6.3
375.08673	29.4
377.06000	3.5
377.10138	22.1
387.08548	25.3
389.10162	25.8
399.08701	5.9
405.09656	26.3
413.10919	2.9
417.09625	37.2
429.09912	3.8
435.10632	26.2
441.09793	4.3
447.11063	4.1
453.11923	48.0
471.11441	3.5
483.12292	3.7
489.12219	3.3
501.13739	6.5
507.12985	6.0
525.13708	6.6
537.13770	39.8
555.15106	47.2
573.16010	43.1
591.18097	100.0
591.26459	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34723	1.1
57.06837	1.4
57.07093	25.4
66.42104	1.3
66.58568	1.4
71.08640	44.1
78.95306	1.3
82.46323	1.3
85.09713	1.7
85.10199	26.3
87.04475	13.7
89.06038	100.0
89.06589	3.3
91.05455	3.5
92.18431	1.4
93.07061	3.4
119.04943	2.0
119.08578	2.8
121.06509	43.4
131.07036	1.9
133.08618	39.1
135.08060	10.5
145.10027	1.7
147.08058	16.0
149.09641	10.6
163.11182	9.5
165.09142	11.0
177.11263	11.2
177.12697	2.3
202.78416	1.4
209.11745	2.9
247.20573	18.8
253.14532	1.4
263.47821	1.4
291.23120	16.8
335.25867	6.9
359.20267	1.7
447.25662	11.2
573.39966	88.0
590.33301	3.3
590.42664	73.4
601.78882	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	590.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43523	0.5
67.98516	0.5
70.06598	100.0
72.08156	0.5
74.06099	6.5
79.68295	0.5
81.07059	0.8
84.04533	0.7
84.22169	0.5
84.60567	0.5
86.06068	0.9
86.09713	87.0
88.11243	0.5
88.28122	0.6
113.47267	0.5
114.05549	2.5
125.26514	0.6
138.75993	0.6
144.08112	0.6
145.12772	0.5
152.10721	6.1
153.10243	0.8
164.06949	0.7
166.08655	1.1
169.13351	0.8
170.09691	3.5
181.09726	4.3
187.14418	1.2
217.13373	0.6
227.13940	10.0
263.13910	79.8
282.18213	2.4
293.65689	0.5
300.19220	2.2
310.17471	1.1
328.18689	16.0
364.18668	4.1
572.30945	5.8
590.25739	1.0
590.32660	0.9
590.40198	1.0
610.91730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78603	0.6
54.25629	0.6
67.19214	0.6
69.03430	2.4
71.08636	2.6
72.08163	0.8
73.70146	0.6
74.15100	0.6
75.14872	0.6
81.03435	1.6
81.22883	0.6
83.04974	0.8
85.02904	1.5
86.06065	5.0
98.09705	3.7
99.08097	1.3
101.06032	2.5
109.02911	1.4
111.04457	1.5
116.10725	11.3
127.03931	4.3
135.08067	1.0
136.08374	0.7
142.08632	0.7
143.10722	1.1
145.05020	0.8
151.97295	0.7
154.15869	1.4
155.07082	0.9
155.25606	0.7
159.02870	0.8
166.15916	1.1
172.09727	1.2
173.08139	0.9
178.15933	0.8
196.16969	9.9
208.13274	0.8
214.18024	100.0
226.14418	13.2
240.13905	0.7
244.15460	5.2
324.21695	3.2
342.22766	41.1
406.46082	0.6
462.23312	14.2
492.20920	0.8
590.27747	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	590.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
66.35390	0.6
67.32275	0.6
69.03439	5.2
71.08624	4.9
72.08152	1.2
81.03414	5.3
82.50353	0.8
83.05000	1.0
85.02905	4.7
86.06075	17.8
87.00844	1.8
95.08618	0.8
96.08138	0.9
97.02887	1.8
97.06553	0.8
98.06075	1.1
98.09712	7.4
99.04464	3.3
99.08099	3.5
99.49236	0.7
101.06013	3.6
105.01910	0.9
105.07043	1.0
108.08135	0.7
109.02879	6.1
111.04440	4.3
116.10734	23.5
121.14130	0.8
122.09695	1.0
127.03904	10.5
129.01854	1.1
129.05481	1.2
142.08629	4.6
143.10629	1.4
145.04956	1.4
147.11761	0.8
154.15916	3.4
159.02870	1.1
164.10732	1.2
173.07988	1.7
182.15456	3.2
190.12317	1.2
196.16968	4.3
208.13435	4.1
214.18019	100.0
226.14374	29.5
244.15434	52.4
261.08728	1.3
288.10553	1.0
301.11816	3.9
302.12122	1.5
324.21588	1.7
326.23230	0.8
342.22745	25.9
347.13708	0.8
453.18579	2.9
458.23956	1.5
462.23312	19.5
474.19626	3.2
488.14063	0.8
492.20801	19.6
546.28680	0.9
590.27863	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74833	0.6
52.40506	0.7
54.97359	0.7
56.05046	1.3
58.81930	0.7
66.34898	0.8
69.99341	0.7
70.06601	24.4
72.08166	9.9
84.04483	0.9
84.08152	13.5
96.05803	0.9
99.06830	7.0
100.07623	16.2
103.70157	0.9
110.09664	1.6
112.11264	1.9
113.08406	0.8
115.08678	1.7
117.65561	0.8
123.04433	6.4
129.10211	5.3
129.14011	0.8
147.04375	1.0
153.05496	4.9
155.11809	4.4
161.77505	0.9
163.03909	4.9
165.05435	7.6
167.07063	1.8
177.05499	6.3
179.03415	1.3
193.04971	7.6
195.06529	9.1
212.09207	3.1
220.09610	12.8
222.11189	6.1
234.11171	1.7
236.09186	23.1
236.12764	13.3
238.10698	7.6
239.05554	1.5
248.12779	1.0
250.10831	6.1
251.11533	4.5
252.12277	17.3
253.15646	1.6
265.15497	14.0
276.12411	1.5
279.17050	3.1
281.14963	11.4
291.16943	1.0
292.11697	1.2
293.18591	1.7
294.13379	2.7
310.21350	5.0
318.98584	0.7
334.42038	0.8
338.12299	5.4
351.21350	0.8
390.64261	0.8
488.23996	18.8
488.30917	0.9
500.27084	1.0
502.25470	12.6
503.26340	27.7
528.27179	1.0
590.27136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33866	17.7
61.48846	20.9
61.83772	20.4
67.05521	22.8
81.07070	100.0
93.42395	23.8
95.08596	34.9
97.10211	37.0
104.22829	21.9
107.08590	41.0
112.13854	20.8
114.39271	22.4
119.08564	39.1
131.08563	31.9
206.29610	23.9
249.14929	35.6
453.33899	32.8
489.35657	42.4
571.43665	37.5
589.44147	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	589.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	29.9
63.24955	5.1
64.23057	5.5
65.33932	5.0
65.82631	5.1
66.32136	5.4
67.05499	8.7
80.70967	6.1
83.08616	82.1
97.10168	100.0
102.07542	5.5
103.26915	5.5
107.08568	11.6
111.08089	28.3
125.09647	90.8
139.07545	14.6
153.09157	28.8
157.08656	9.5
171.10220	13.1
175.09630	6.7
189.11185	46.8
213.11259	43.1
219.33487	5.7
219.49153	6.5
227.12756	99.7
383.20660	31.0
397.22382	12.5
401.21674	59.3
415.23349	28.6
535.28711	8.1
553.30298	48.4
571.31378	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	589.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.6
57.03434	2.0
61.02921	0.9
69.03436	6.7
69.07077	6.9
73.02926	0.5
79.05488	0.8
81.03428	0.9
81.07071	12.0
83.05011	0.6
83.08601	1.1
85.02915	11.4
85.06561	0.7
87.04467	1.0
91.05478	0.6
93.07043	2.4
95.04969	0.4
95.08622	6.2
97.02900	5.2
97.06512	0.8
99.04451	1.1
105.07064	3.2
107.08588	2.9
109.02908	1.7
109.06521	2.4
109.10171	2.0
111.04450	5.5
111.08108	0.7
113.05995	2.6
117.07020	0.9
119.08585	2.5
121.06577	0.5
121.10142	3.7
123.08092	0.5
123.11758	0.7
125.05986	0.7
127.03905	3.5
127.11195	0.5
129.07014	0.5
131.08557	6.6
133.10135	5.0
135.11703	2.4
137.09657	1.1
139.07510	0.7
139.11192	3.8
141.34262	0.5
143.08575	2.7
145.04987	0.9
145.10127	6.7
145.84395	0.4
147.11713	2.8
149.13199	0.6
153.12730	3.9
155.08572	0.7
157.10123	9.1
159.11685	4.7
161.13295	0.8
163.11203	1.9
171.11726	5.2
172.34756	0.5
177.12779	2.2
179.14352	1.8
183.11745	2.1
183.13829	0.6
185.13304	2.6
195.11844	0.7
195.13875	3.4
197.13310	1.7
211.14839	8.3
213.16393	34.9
225.16451	0.6
227.17966	0.6
229.15892	0.5
231.17421	1.8
233.33173	0.6
237.16512	0.8
251.17871	3.6
269.18961	0.9
279.21136	2.7
297.22012	1.6
448.31311	0.5
571.36029	0.9
589.37390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24026	0.6
57.25133	0.7
65.37736	0.7
68.94303	0.8
79.45263	0.8
80.18470	0.8
122.06066	1.2
124.07547	1.2
136.07608	1.4
138.09125	4.0
163.03828	0.9
164.07103	4.1
164.10718	2.0
180.28825	0.8
192.10213	7.1
201.06572	5.3
215.08153	3.9
216.08842	1.4
217.09731	11.4
235.10767	3.1
241.09781	1.0
243.07562	3.9
257.12967	1.5
261.08679	17.7
283.10593	1.0
287.10477	1.6
301.11917	8.5
364.16571	1.4
391.90921	1.0
392.15994	45.3
406.17688	11.6
408.19138	36.3
410.17151	12.3
426.20200	46.9
434.17096	52.9
452.18155	29.5
576.82526	0.9
589.26526	100.0
611.37494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33826	0.4
57.03423	0.4
63.74182	0.3
64.39807	0.3
64.73001	0.3
69.03403	0.6
72.08128	0.5
73.02893	1.6
85.02872	2.4
97.02886	3.6
99.04424	2.3
103.20052	0.4
109.10102	0.6
114.09146	2.8
115.03927	0.7
121.10113	0.5
122.06082	0.6
124.07587	2.8
127.03922	0.5
136.07591	0.6
138.09152	8.8
164.06998	0.5
164.10666	2.5
170.09586	0.5
174.09155	3.0
192.10168	2.6
211.05869	0.4
214.10760	0.4
215.08040	0.5
217.09714	1.5
221.08144	3.3
227.08151	0.8
241.09657	1.6
243.07672	1.5
248.06709	0.5
257.12848	2.5
259.10861	0.6
260.07913	2.9
261.08710	38.1
269.09149	0.8
275.13821	0.7
279.15582	0.4
283.10815	2.3
285.08734	0.7
285.12381	1.8
287.10281	28.6
295.10358	1.7
297.08646	0.8
299.14191	0.6
300.11057	3.6
301.11841	97.1
313.08246	2.9
315.09796	8.5
329.11331	2.0
348.78345	0.5
366.18063	2.0
378.17993	2.0
398.17319	0.5
406.12799	0.8
406.17670	11.6
407.16156	1.6
408.19238	0.7
420.19147	2.2
424.18674	3.3
426.20142	1.7
434.17154	10.4
448.68857	0.4
452.18170	48.7
543.25159	0.4
571.25128	0.8
588.93909	2.0
589.26630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27164	0.9
59.06618	1.0
62.83081	1.0
138.09196	1.9
144.08044	1.4
164.07077	1.6
170.09615	2.6
192.10188	1.4
215.08168	2.1
217.09746	8.3
243.07721	1.5
257.12848	1.3
261.08875	8.3
301.11844	7.7
316.71362	1.3
362.18954	1.4
378.17834	1.3
380.19595	1.3
392.16037	24.2
406.17657	58.2
408.19171	19.3
410.17047	6.1
424.29465	1.1
426.20389	25.8
434.17142	28.9
452.18207	58.5
589.26599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80478	2.3
54.98711	2.4
70.06610	3.3
72.08192	4.1
84.08145	3.7
86.09711	4.3
123.22792	2.9
131.67119	3.0
140.04749	3.1
151.03909	6.5
167.07039	45.7
187.10785	5.5
201.05469	73.1
213.05450	33.5
231.06535	17.9
264.08005	4.3
265.08716	4.3
275.07104	6.0
292.07190	5.0
295.09879	3.8
303.06494	29.8
307.09753	6.9
320.06851	31.6
323.09164	4.0
335.09192	48.6
355.11884	15.3
367.11792	100.0
385.12866	50.9
468.18600	2.9
517.57745	3.1
589.24036	5.4
589.30920	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	589.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21221	0.2
61.89325	0.3
70.06571	0.4
72.08134	0.4
78.47581	0.2
81.07057	0.3
84.04502	1.2
84.08119	0.3
84.51128	0.3
84.65182	0.3
86.09683	0.4
89.03930	1.7
105.07040	3.1
117.03384	4.7
118.37943	0.3
122.09679	2.6
127.03876	0.4
135.04405	0.5
145.02861	42.7
149.05980	1.8
166.73035	0.3
167.07008	3.2
170.09612	0.3
173.85803	0.3
177.05479	100.0
186.09204	0.6
187.12405	1.5
188.10701	0.4
205.13385	5.6
211.09731	0.3
233.12871	10.5
234.11246	0.6
246.63603	0.3
251.13985	0.7
306.09744	1.4
321.09848	0.4
339.10910	1.1
409.17596	0.6
427.18454	2.2
589.23730	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	589.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98843	0.4
59.16832	0.5
69.03454	0.8
70.06600	0.9
72.08160	100.0
74.09703	0.5
89.10782	3.2
94.88824	0.5
99.55540	0.5
104.35455	0.7
109.02901	0.8
131.35077	0.6
139.03914	0.7
163.03908	3.8
176.03438	1.2
202.05028	0.7
264.06543	1.0
278.15070	0.8
282.07632	3.7
292.06116	1.2
293.04538	2.8
295.17499	0.7
310.07104	18.5
312.08688	13.8
321.03922	20.2
338.06619	11.0
339.05057	9.0
350.06668	7.4
356.07730	3.7
364.11768	6.3
366.13400	11.2
392.11212	10.3
409.13889	6.3
410.12347	6.4
501.10577	1.3
518.12903	7.1
572.17377	7.9
589.20251	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52611	0.6
62.61998	0.6
69.01331	0.7
72.08159	37.3
72.90544	0.6
75.30824	0.6
109.02850	0.8
119.18487	0.6
132.97055	0.7
157.18115	0.8
163.03928	9.5
174.59816	0.6
177.04301	0.9
202.08691	1.3
218.04482	0.9
231.09039	0.7
234.96878	4.5
252.97998	5.2
310.07083	18.6
312.08667	36.8
321.03943	2.6
338.06564	30.0
339.05005	1.0
356.07605	22.3
364.11804	6.1
366.13376	25.7
392.11227	7.4
397.02390	3.7
410.12271	10.1
518.12891	15.4
572.17639	4.1
589.20282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44557	0.4
58.94922	0.4
79.05503	0.5
83.68547	0.5
88.33475	0.5
90.51116	0.5
107.04943	2.2
107.73097	0.5
119.36703	0.5
139.43311	0.4
142.79988	0.5
155.82779	0.5
167.07048	5.3
168.07401	0.6
173.85414	0.5
191.07127	0.7
328.87689	0.5
351.12213	0.9
368.22961	0.5
382.14117	0.6
415.12595	1.1
427.13638	6.3
589.18903	100.0
589.41174	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	589.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83427	1.4
72.93817	1.2
85.02932	1.2
90.94822	1.6
101.27814	1.3
109.02885	1.3
114.94839	1.4
130.97922	2.5
132.95854	17.8
143.01953	1.8
144.95837	2.8
150.96907	2.4
157.03455	6.1
158.97357	14.5
162.96883	2.6
168.95850	1.9
169.93008	1.3
170.97427	6.4
172.98943	3.0
174.96892	74.9
175.04565	1.6
176.98509	5.6
184.98975	3.0
185.03059	1.8
186.71332	1.3
186.96890	51.8
186.98428	2.3
188.98483	1.9
192.97888	4.7
198.96904	73.4
200.98471	21.5
202.96417	8.6
204.97955	5.3
210.96909	22.2
216.97952	42.5
226.96402	2.3
228.97980	10.1
234.98999	53.3
240.98012	3.0
244.97504	8.4
245.05064	4.8
252.97804	1.5
258.99072	2.9
264.96722	3.8
277.00064	100.0
288.96820	3.5
289.00098	7.1
289.03894	1.9
306.97485	13.7
307.01181	11.1
318.97482	4.8
336.98587	2.6
337.02124	9.3
366.99530	9.0
397.04321	40.6
409.00562	12.4
427.01678	35.0
571.13678	6.4
589.06879	40.1
589.14642	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	588.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07090	18.7
69.07085	1.6
71.08637	29.5
73.06544	4.6
76.99398	0.7
81.48071	0.7
87.04467	7.2
89.06035	100.0
89.54945	1.0
103.80639	0.8
110.54295	0.9
113.13275	1.0
117.09126	1.3
131.07100	1.1
133.08597	24.4
139.79936	0.8
148.56908	0.8
177.11194	11.0
182.58253	0.9
203.76823	0.9
221.13937	3.5
245.21227	3.9
265.16440	0.9
283.17667	1.4
314.66440	0.8
459.27994	12.9
459.32858	0.8
571.40527	31.9
588.43274	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50807	0.3
58.53308	0.3
60.08173	4.3
67.05519	0.5
75.58081	0.4
86.09715	22.4
104.10778	3.1
104.11599	0.3
109.10211	0.5
125.00003	10.2
159.85533	0.4
184.07349	100.0
193.08589	0.5
236.14992	0.6
342.14893	0.4
437.81470	0.4
535.56537	0.4
570.35162	0.8
588.36597	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	588.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08861	0.5
70.06621	0.6
80.79932	0.5
81.75831	0.5
100.02601	0.6
106.35926	0.5
144.08095	29.7
145.08876	0.7
158.09612	0.8
167.06984	0.8
170.09645	100.0
171.10420	28.0
187.12317	0.8
201.13882	6.0
202.14661	18.2
263.06927	0.6
301.19003	0.9
338.55869	0.6
515.05811	0.7
588.29254	59.4
588.39856	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	588.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05643	3.2
60.71795	0.5
70.06576	0.9
72.08157	17.4
84.04506	5.6
89.10748	0.8
95.21333	0.5
96.04496	0.8
97.07644	0.8
98.06044	3.0
102.05547	8.7
109.02883	1.2
113.07096	0.5
114.10291	14.9
116.07074	3.6
126.05512	8.7
127.03893	1.1
131.12932	12.3
138.05504	46.4
144.06570	13.3
154.06047	0.7
168.06558	15.2
180.11365	0.7
181.25439	0.5
182.12920	3.2
183.11238	5.0
186.07631	12.1
197.13867	0.7
200.13997	2.4
208.10724	4.6
225.13493	6.2
225.15747	0.9
230.10324	1.0
243.14482	2.1
258.09778	2.6
282.07095	0.5
284.75311	0.6
301.13940	14.1
329.13507	3.1
342.06018	0.6
368.19278	0.6
588.29865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05652	1.9
65.30089	1.3
67.22954	1.3
69.03433	2.4
70.06606	11.8
72.08163	23.8
78.40124	1.3
84.04520	1.6
84.08150	1.5
85.02900	8.4
86.09704	3.1
88.83143	1.3
90.35755	1.7
91.05482	2.9
92.82153	1.3
93.03397	3.3
93.07085	1.6
95.04948	1.3
97.02888	3.0
103.05447	5.2
105.07037	1.9
107.04955	8.9
108.84673	1.3
109.02879	3.0
112.07607	1.6
114.10292	26.6
115.10647	5.8
118.91629	1.7
119.04983	1.7
121.06522	7.2
127.03903	5.8
129.07030	1.7
129.10242	3.1
131.04935	14.5
131.12932	8.2
132.05231	2.3
133.06531	2.0
133.34296	1.4
135.08069	2.8
136.06163	2.4
137.05986	3.4
144.08098	16.3
145.08450	7.0
147.04411	5.3
149.05988	18.1
149.09554	1.6
151.07576	5.7
153.09142	1.9
157.06464	5.6
158.09712	1.5
161.05980	95.5
161.09601	20.5
163.04007	1.4
163.07556	32.0
167.07045	28.7
170.09654	46.9
171.10126	25.9
172.10799	6.6
174.17847	1.4
175.07559	7.8
175.54657	1.5
177.05486	13.4
177.09009	2.1
179.07019	3.0
180.07791	2.7
181.08591	23.4
184.34042	1.4
187.07639	1.5
189.09109	95.8
191.07043	16.3
192.07817	5.1
193.08578	6.1
200.10728	7.6
201.09154	2.1
201.10986	2.3
201.13954	5.5
202.12556	2.3
202.14619	19.3
203.12570	2.6
203.15034	6.3
207.10172	100.0
209.08083	17.6
219.10150	3.1
257.11856	2.1
283.09467	2.0
311.12756	1.8
315.12357	2.3
333.45734	1.4
339.11380	2.0
341.13690	5.3
343.15475	2.9
344.23953	2.4
349.16406	1.5
355.15363	2.1
361.16473	85.1
373.16467	7.1
391.17593	7.6
403.60022	1.6
408.21457	1.9
544.30206	2.2
588.14093	2.7
588.27490	68.8
588.39838	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40417	0.3
57.70795	0.4
57.79333	0.4
58.84461	0.3
60.07760	0.4
70.06597	2.2
72.08147	0.8
74.85652	0.4
79.05492	0.5
85.02942	0.4
86.09705	0.6
88.69896	0.4
91.05464	1.8
99.95600	0.4
103.05461	1.5
105.07042	10.2
107.04961	0.9
109.06453	0.4
117.88441	0.4
118.04162	2.0
119.04934	2.7
121.06451	0.6
123.08059	1.7
131.04924	8.6
133.02869	5.4
133.06497	10.5
135.04419	0.6
135.08032	2.8
137.05986	6.6
147.04453	3.3
149.06000	2.0
150.06757	6.5
151.07565	5.3
151.85239	0.4
158.05406	0.5
161.05991	2.5
161.50497	0.4
163.03891	0.8
163.07545	11.4
165.05461	0.9
165.09128	10.1
167.07025	9.8
167.81573	0.4
179.07047	6.1
181.08553	0.6
191.07048	0.7
193.08611	83.8
195.10155	1.8
211.09659	100.0
213.11208	1.0
222.11197	0.4
293.71814	0.4
306.13431	0.6
322.77338	0.4
341.13879	1.8
343.10657	0.7
343.14496	0.5
347.03583	0.5
361.16449	4.2
373.16287	0.8
382.19211	0.5
588.28619	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	588.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.92957	0.6
69.03440	1.2
70.06593	4.8
72.08154	1.6
84.04510	0.9
85.02912	1.2
86.09691	1.5
90.17977	0.8
91.05470	1.0
94.25246	0.8
95.04974	0.7
103.05495	1.1
105.07050	10.4
109.06552	0.8
119.04934	4.0
124.05213	0.9
131.04930	7.4
133.02843	4.8
133.06512	12.7
135.08064	1.7
137.05962	6.8
144.08119	5.9
145.08488	1.0
147.04398	3.8
149.06032	3.2
150.06757	6.3
150.10773	0.7
151.07533	5.0
161.05997	3.0
163.07530	13.8
165.05510	1.5
165.09091	11.5
167.07051	15.1
170.09631	15.4
171.10255	6.6
173.12872	1.1
175.83333	0.8
177.05479	1.0
177.09294	0.8
179.07031	7.7
179.10713	0.9
181.08669	1.2
193.08620	96.2
201.13951	1.2
202.14626	4.0
203.15048	1.2
211.09662	100.0
213.11145	1.3
324.80734	0.8
341.13995	0.9
361.16394	3.6
373.16147	0.9
588.27496	4.8
588.39832	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	588.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	2.9
56.21601	0.9
58.06607	0.7
58.77495	0.7
61.26161	0.7
61.26907	0.8
70.06598	27.0
72.08163	12.6
79.11876	0.8
82.10378	0.7
84.08150	13.1
87.09230	9.1
89.03937	1.0
98.09698	4.9
100.07638	0.9
101.10771	0.9
110.09715	4.1
111.10526	1.0
112.07634	1.3
112.11260	2.9
113.07139	1.3
114.09204	1.3
129.13873	1.7
135.04451	0.8
145.02866	1.7
151.07497	1.0
153.05489	1.8
155.11818	4.7
163.03905	70.4
165.05573	0.8
167.07072	1.5
177.05534	3.3
180.06595	1.3
193.05019	3.7
219.08981	0.9
220.09689	100.0
221.10579	0.8
231.01628	0.7
249.12344	8.4
264.12445	0.9
266.13928	3.5
291.17078	1.2
295.16626	7.2
305.14825	1.3
309.18182	4.1
321.18130	1.5
324.19287	10.0
337.03494	1.9
338.03839	2.9
339.21686	1.4
348.05118	1.2
349.05627	5.6
364.22443	1.1
372.15607	1.2
408.12552	1.6
451.37912	0.8
468.21240	1.0
469.19125	1.0
486.22495	9.9
498.25809	1.1
500.23889	19.9
501.24731	33.8
526.25519	1.6
570.24054	3.2
588.25647	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14865	0.1
53.50877	0.1
58.67208	0.2
59.23795	0.2
69.03423	0.2
70.06588	0.4
72.08159	0.2
83.11549	0.1
84.08176	0.2
85.02924	1.4
89.12737	0.1
95.04942	0.2
97.02885	0.3
99.04424	0.2
105.07116	0.2
107.04963	0.3
114.40190	0.2
123.04429	0.3
127.03854	0.6
133.06519	0.6
137.05977	0.2
149.05954	0.6
151.07533	0.2
152.90462	0.2
154.08649	0.4
161.06001	0.9
167.07045	100.0
172.09700	0.8
180.08716	0.3
181.04970	7.8
181.08519	1.4
193.08635	4.1
205.14633	0.2
211.09660	21.1
212.16437	0.3
269.37125	0.2
286.49750	0.2
409.15045	0.7
585.02423	0.2
588.28717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.4
57.03444	34.6
57.07068	1.9
60.31861	1.1
61.02934	6.5
63.13584	1.4
67.05508	14.1
69.00327	1.3
69.07072	13.0
71.08611	1.6
73.14984	1.3
73.60773	1.5
79.05488	3.2
81.07062	22.2
83.08624	13.5
91.05509	2.6
93.07050	7.5
95.08617	25.1
97.06540	1.8
97.10169	10.2
105.07068	1.9
107.08608	6.8
109.10159	15.6
111.11705	2.4
117.05490	100.0
119.08572	8.6
121.10145	9.0
123.08061	1.7
123.11700	8.5
133.10120	9.1
135.11705	9.6
137.13290	2.5
147.11670	7.2
150.02023	1.5
151.14806	1.7
161.13222	1.8
164.66299	1.4
168.83904	1.4
177.11935	1.6
189.16362	8.3
207.17410	2.8
217.19562	6.8
225.18362	2.0
231.54471	1.6
235.20627	7.1
249.34589	1.5
253.21556	1.7
274.08926	1.4
356.37601	1.5
419.83917	1.5
435.38367	20.3
453.39456	15.0
538.91882	1.6
551.43408	2.3
569.36420	1.7
569.44220	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	587.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81895	0.3
55.14877	0.4
56.63638	0.4
58.06593	0.8
70.06569	0.5
72.08151	0.4
82.42861	0.4
85.29895	0.3
130.06541	0.5
143.07254	0.5
144.08084	28.4
158.09636	3.6
160.59488	0.4
170.09639	100.0
171.10422	27.8
186.11563	0.5
187.12325	0.4
201.13838	7.3
202.14648	28.7
212.14214	0.4
215.15659	0.5
245.16589	1.5
266.13321	0.4
269.20255	2.2
312.19623	2.2
343.23837	6.5
369.61462	0.4
392.77438	0.4
430.92712	0.4
587.39545	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78881	0.3
58.06609	1.3
58.06905	0.3
63.96152	0.3
65.19969	0.3
70.06582	0.6
72.08192	0.3
111.94270	0.3
144.08093	25.3
145.08852	0.5
145.74538	0.4
158.09683	2.9
159.10460	0.5
163.03806	0.3
170.09647	100.0
171.10425	30.2
197.30348	0.4
201.13863	6.6
202.14662	28.1
224.14391	0.5
238.67403	0.3
245.16417	1.6
266.27423	0.4
269.20102	1.4
295.47162	0.4
312.19656	1.9
343.23758	7.1
587.39581	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	587.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	1.1
61.94666	0.3
72.25119	0.3
82.18485	0.3
129.10649	0.3
144.08095	26.0
145.08849	0.6
158.09676	2.4
170.09651	100.0
171.10432	30.6
184.11156	0.3
186.11491	1.3
187.12375	0.4
201.13902	7.5
202.14665	27.6
215.15526	0.4
245.16486	1.5
269.20059	1.6
312.19702	2.4
343.23788	6.6
587.39600	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96884	0.5
51.54864	0.5
56.68775	0.5
58.06594	1.0
70.06596	2.3
72.08166	1.0
72.19002	0.6
84.08179	0.8
85.02915	0.6
86.09721	1.3
93.71931	0.6
106.10084	0.5
108.81327	0.5
116.07044	0.8
119.07358	2.3
120.08110	22.8
132.27641	0.6
134.09660	57.9
136.07607	2.7
149.54765	0.6
160.07573	35.5
161.08290	1.1
170.09665	2.7
174.09174	2.3
182.08078	0.6
186.09143	100.0
187.09924	37.5
188.14391	0.7
202.11018	1.0
203.11815	0.7
204.12601	1.3
214.12329	1.5
215.11792	8.9
217.13345	8.1
218.14151	29.3
218.16200	1.1
227.16376	0.8
228.16940	0.7
234.11243	0.8
259.14517	0.8
305.39343	0.6
384.24298	2.9
454.19684	9.0
556.24585	3.5
559.29700	1.1
587.28357	8.8
587.36151	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.0
60.08153	0.9
64.44067	0.5
65.19924	0.4
65.22479	0.4
67.59934	0.4
70.94627	0.4
86.09702	0.6
107.68967	0.4
113.77193	0.5
144.08058	0.7
153.08800	0.4
157.70636	0.5
160.07574	35.4
170.09668	3.0
174.09148	1.7
180.24164	0.6
186.09142	100.0
187.09929	36.7
187.11223	0.8
202.10992	1.1
203.11778	0.6
217.13351	5.9
218.14145	24.3
334.34488	0.5
341.79056	0.5
354.92001	0.5
525.95013	0.5
587.35870	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.9
58.78087	0.3
70.48830	0.3
75.13855	0.4
76.43133	0.3
76.43649	0.3
87.35715	0.3
91.67071	0.4
92.27938	0.3
101.78828	0.3
108.42677	0.3
120.08080	0.6
134.09671	3.2
144.08101	0.5
144.58765	0.4
160.07582	37.3
161.08344	0.8
161.54068	0.3
164.85405	0.4
167.41185	0.4
168.88025	0.3
170.09673	3.6
174.09163	2.2
176.10809	0.5
186.09154	100.0
187.09935	36.1
187.11720	0.4
188.10721	0.5
202.11043	1.9
203.11880	1.3
204.12633	1.4
214.12320	1.6
215.11807	7.9
217.13370	7.3
218.14149	24.8
229.13242	0.5
257.16562	0.6
271.18124	0.5
285.19547	0.4
317.18512	0.6
384.24023	2.5
410.73959	0.4
587.35980	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37524	0.3
58.06607	1.3
62.38453	0.4
70.06544	0.4
70.55817	0.3
71.62901	0.4
96.08744	0.4
100.03013	0.3
114.88713	0.4
119.04976	0.4
120.08105	0.8
134.09654	2.9
136.07538	0.5
144.08093	2.2
160.07571	38.9
161.08337	0.6
170.09630	5.8
171.10413	1.5
174.09140	1.7
175.03905	2.0
176.04237	0.7
176.10645	0.5
186.09142	100.0
187.09917	32.2
202.11057	1.6
202.14642	0.8
203.11798	1.6
204.12715	0.9
207.06578	1.5
208.06918	0.8
214.12274	2.4
215.11765	5.9
217.13330	6.2
218.14133	25.7
218.16241	0.8
229.13451	0.6
285.19681	0.6
317.18610	0.5
344.78693	0.4
384.23865	2.6
413.04568	0.5
587.35907	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02195	2.1
54.51212	2.0
55.05512	3.1
55.57557	2.3
56.16645	2.3
57.03449	3.1
58.85358	2.1
63.41917	2.3
65.97197	2.6
69.03405	3.0
69.07082	10.7
70.06596	11.7
72.08141	17.1
81.07064	15.4
83.08613	4.3
84.08149	4.0
85.02920	26.5
87.00809	5.7
93.07063	5.8
95.08612	15.7
97.02896	5.1
97.10190	2.9
97.67686	2.5
99.04428	3.4
105.01857	15.5
105.07039	26.4
107.08608	17.2
109.02897	9.5
109.10150	12.6
114.10267	3.1
119.08598	18.2
121.06557	3.4
121.10123	14.3
123.04355	3.1
123.11727	4.7
125.13312	3.3
127.03894	14.0
131.08557	12.1
133.10176	11.6
135.11693	4.6
137.05972	12.3
137.13234	2.9
144.08122	6.0
145.10132	10.4
147.11688	17.0
149.13217	4.9
152.07114	4.5
155.08553	4.3
157.10161	6.5
159.11699	6.4
161.13281	12.7
163.03883	15.1
163.14650	4.1
167.07117	5.1
169.10019	4.9
170.09613	32.5
171.04362	4.1
171.10367	5.1
171.11693	5.5
173.13222	5.4
175.14880	3.5
176.72673	3.0
181.05038	5.4
183.11708	10.3
185.13284	6.6
187.14848	5.2
194.09367	6.1
199.14711	3.5
201.14063	3.2
201.16426	5.9
202.14787	4.1
211.14774	4.3
222.11198	2.7
227.18044	6.0
243.17343	3.5
243.21039	70.8
255.11221	3.4
255.21515	2.8
257.12909	12.0
267.21094	14.3
285.22131	37.2
303.23221	100.0
321.24185	3.6
348.16080	4.5
425.21634	4.4
453.69037	2.9
494.93967	2.8
533.27618	5.0
556.24091	4.6
569.23975	3.9
587.27014	41.8
587.39520	20.2
593.85199	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	587.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72705	0.5
57.14918	0.5
78.46750	0.6
81.43054	0.5
86.09209	1.2
86.09709	24.6
86.44762	0.6
86.76411	0.5
91.05485	6.6
93.07040	0.9
103.05489	3.3
105.07089	0.8
113.10764	2.3
118.06541	20.2
119.04922	0.9
119.07306	3.1
120.08106	100.0
130.06514	5.7
131.04851	0.9
132.08139	0.7
136.07591	13.0
141.10225	4.2
146.06017	62.5
158.05925	0.9
162.05542	0.7
164.07085	5.1
165.05481	3.0
169.10168	1.0
170.09607	0.8
177.13989	0.7
182.08089	4.8
186.09172	1.4
186.12804	3.9
188.14372	10.9
204.20294	0.7
208.11200	5.8
209.09789	0.6
214.12257	10.5
220.11238	2.8
222.12750	4.6
223.07581	0.8
228.10106	0.6
231.14931	1.0
232.15729	0.7
232.40881	0.6
233.16504	4.9
236.10762	3.7
238.12381	2.5
240.13875	0.6
242.11765	2.4
248.10735	4.1
259.14401	10.5
265.08722	1.1
265.13394	5.8
266.11700	3.1
270.11148	5.5
282.11243	1.2
293.12796	5.0
309.12372	5.8
311.13861	1.1
329.15051	6.9
355.12714	1.2
406.21204	11.5
417.18076	3.4
474.20245	19.3
502.19745	36.1
559.29407	1.1
570.25916	1.0
587.28632	34.5
587.36780	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	587.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02198	0.6
60.05658	9.8
69.03414	1.4
70.06590	4.2
72.08161	26.8
72.46665	0.7
74.55048	0.7
84.08128	1.6
85.02892	1.4
86.09702	0.9
91.99181	0.7
97.02872	1.6
97.07650	5.6
98.06058	1.2
103.05460	1.2
107.04963	0.9
110.02420	5.4
114.10295	36.4
115.08711	6.2
123.04452	1.5
127.03958	1.1
131.04939	25.6
131.11993	1.3
131.12921	25.8
136.07581	0.9
137.05977	12.9
138.06352	5.7
144.08095	2.8
147.04474	6.4
151.08652	1.3
152.07072	20.8
152.08269	0.7
163.03897	1.9
165.05495	3.3
167.07031	3.9
170.09660	6.9
171.04422	1.6
171.10448	0.9
181.08574	1.6
194.09236	6.9
201.13902	9.9
202.12285	11.3
202.14697	1.8
219.14919	1.3
222.11276	9.9
223.11739	5.4
224.11784	3.6
244.14439	13.4
249.09148	0.8
261.17090	17.7
277.08917	1.2
329.79514	0.9
348.16113	1.7
366.16574	0.9
390.18295	0.9
425.21832	11.1
587.27246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37610	0.9
61.75860	0.8
69.03435	1.4
70.06579	2.4
71.68868	1.1
72.08151	1.4
76.83578	0.9
81.07054	1.0
85.02912	2.0
91.05459	1.2
95.08585	1.0
97.06551	1.0
105.18055	1.0
107.08616	1.1
108.08057	0.9
114.10288	5.4
115.08687	1.7
122.06051	7.4
124.07582	3.9
131.04941	6.6
133.10202	1.1
136.07542	7.3
138.09143	5.3
138.30472	1.1
144.08061	1.5
160.07549	1.4
163.03899	1.6
164.07060	1.5
164.10703	4.6
167.07066	1.3
170.09648	6.5
171.10315	1.3
186.09132	2.0
192.10237	2.3
201.13840	5.0
202.12204	5.6
202.14554	1.0
217.09758	1.4
231.40051	1.1
233.17424	1.2
235.07756	1.4
235.10736	1.2
244.14464	1.1
249.08958	1.4
253.09653	1.2
255.11223	6.6
257.12750	4.8
261.08759	4.3
261.17078	14.5
267.07690	5.7
269.09128	1.7
273.12341	1.9
274.13278	1.0
275.13971	9.0
281.09183	10.7
285.08762	2.0
285.12134	1.4
287.10284	3.9
295.07251	1.5
299.10297	13.9
301.11829	15.5
313.07846	1.1
325.18991	1.2
350.18484	4.5
351.16931	1.2
360.16931	2.3
368.19702	1.5
378.18246	8.0
389.14777	1.2
390.41608	1.0
394.17413	3.5
396.19159	5.8
404.16052	10.9
406.17606	29.2
407.15994	1.9
408.19284	1.4
422.17010	5.7
424.18851	19.3
426.20178	4.2
432.15515	7.2
438.20398	1.6
450.16577	27.0
452.18228	6.5
569.24219	7.0
585.69073	1.2
587.25000	100.0
587.39569	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	587.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.7
61.02916	1.6
65.14037	1.1
68.46861	1.4
69.03416	8.6
73.02915	10.0
85.02907	26.3
97.02902	17.4
115.03909	8.2
122.06049	8.3
124.07645	4.7
127.03926	8.0
136.07558	8.1
138.09171	5.9
144.08075	11.3
145.04994	7.9
157.59943	1.4
163.06049	2.4
164.06996	2.1
164.10754	2.8
170.09648	31.6
171.10385	10.7
175.93826	1.6
201.14041	1.8
202.14581	10.8
215.08133	1.5
218.14832	1.5
220.09225	1.5
234.09964	2.6
235.10809	2.6
241.06590	1.6
255.11259	3.3
257.12866	6.0
259.07608	1.9
261.08688	6.8
267.07700	3.1
269.09341	2.4
271.10895	1.7
273.12485	2.7
274.13147	1.6
275.13934	9.1
281.09232	6.7
283.10632	1.5
285.08859	1.9
287.10367	2.0
295.10202	5.7
299.10321	14.1
301.11780	15.4
311.72534	1.4
351.17178	1.9
378.17938	9.6
382.35165	1.6
386.14819	1.5
388.16714	2.1
389.13876	1.5
394.17438	2.3
396.19312	5.3
404.16019	13.5
406.17630	25.4
414.14551	1.6
422.17160	7.6
424.18655	20.7
426.19971	2.1
432.15710	8.9
438.20465	2.2
450.16595	27.1
452.18112	7.3
569.24066	3.3
587.25000	100.0
587.39172	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	587.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03254	1.0
65.50191	0.9
72.18551	0.9
78.00452	0.9
81.79350	1.0
122.06036	9.4
124.07600	2.7
136.07565	5.5
138.09108	4.4
144.08046	1.3
148.23308	1.1
164.07047	1.7
164.10704	4.5
174.09102	1.2
192.10211	4.4
203.08041	1.1
217.09724	1.2
226.25247	1.1
235.10733	2.4
255.11282	5.9
257.12866	6.1
259.07156	1.5
261.08676	6.7
267.07574	4.7
269.09055	1.2
270.56876	1.3
273.12225	4.3
274.13071	1.3
275.13901	6.2
281.09216	7.2
285.08585	2.2
287.10327	1.4
299.10278	16.3
301.11838	8.9
313.08310	1.3
350.18646	2.2
351.16486	1.5
360.16727	2.5
368.19745	1.8
376.16611	1.5
377.13483	1.1
378.18192	8.6
386.15079	2.2
388.17120	1.5
394.17697	1.8
395.15134	1.1
396.19104	5.1
404.16101	12.3
406.17703	21.6
422.17291	7.5
424.18576	19.9
426.20142	2.1
432.15427	7.4
438.20383	2.5
450.16577	27.3
452.18185	6.5
495.47360	1.3
569.23901	6.6
587.24945	100.0
587.39471	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	587.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54922	0.9
64.70478	1.0
69.07083	1.0
76.49091	0.9
77.90094	1.1
93.72697	0.9
94.06532	1.1
94.92721	1.1
101.63174	0.9
122.06051	8.7
124.07578	5.0
124.83279	1.1
136.07614	7.6
138.09116	6.2
164.07068	2.0
164.10703	4.0
186.09138	1.3
187.09654	1.1
192.10168	1.8
215.08102	1.4
216.08928	1.5
217.09636	1.2
228.15945	1.1
229.09300	1.3
234.09952	1.7
235.10803	1.9
241.06105	2.1
241.09740	1.1
255.11238	4.0
257.12842	5.9
257.49438	1.2
259.07077	2.3
260.07852	1.9
261.08624	4.6
267.07617	5.8
269.09271	1.2
273.12323	2.2
274.13123	1.6
275.13852	5.6
281.09186	9.9
285.08746	3.5
287.10226	1.9
295.07007	1.5
299.10330	14.6
301.11801	15.0
315.09760	1.7
350.18677	2.3
352.12735	1.1
360.17068	2.1
368.19568	1.6
378.18216	8.4
386.14999	1.6
391.15991	1.1
394.17624	1.6
395.14761	2.0
396.19412	7.4
404.16119	13.0
406.17645	22.9
407.15726	1.4
422.17065	9.4
424.18619	19.0
426.20044	3.6
432.15613	7.8
436.18289	1.0
438.20007	1.4
450.16614	26.1
452.18216	9.2
569.23633	6.2
587.24835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73832	0.4
58.19336	0.5
59.05004	0.6
67.80055	0.5
70.06579	3.4
72.08150	2.4
84.04480	0.6
84.08119	0.9
84.33132	0.5
85.26247	0.5
86.09687	2.1
89.45335	0.5
95.06106	0.5
98.07200	3.7
118.06546	2.0
129.10110	0.5
132.08060	2.4
143.06886	8.7
143.11768	2.4
144.07173	0.9
144.08157	6.0
146.06013	35.1
159.09196	4.5
170.05995	0.6
171.11263	0.8
188.07063	100.0
203.10257	1.9
205.01994	0.7
205.09729	43.1
240.79361	0.5
253.10399	0.9
261.76526	0.5
361.10916	0.7
421.09183	0.7
425.66858	0.5
435.28934	0.5
587.21692	3.6
587.30725	2.7
600.73340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04593	2.3
57.07083	31.7
59.49030	2.3
64.49806	2.2
71.08633	25.6
73.06533	3.7
75.90662	2.7
83.08608	2.9
85.10177	18.9
87.04492	5.3
89.05499	5.1
89.06031	100.0
93.17205	2.6
117.09122	3.7
133.08589	36.0
151.84323	2.5
177.11226	4.2
221.13849	3.2
243.23077	4.0
313.20822	2.9
415.25510	4.9
569.42596	38.4
586.45410	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	587.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03393	0.5
70.06531	1.8
72.08163	3.6
73.43601	0.2
75.61105	0.2
81.03426	2.7
84.04456	0.5
84.08083	0.3
85.02839	0.5
86.09675	0.3
89.10738	0.3
90.66785	0.2
97.23309	0.3
98.06007	0.4
109.02905	2.1
114.10242	0.4
163.03929	2.4
194.44899	0.3
220.09624	0.5
251.13731	0.3
263.03375	2.4
265.04941	0.3
279.06638	0.3
291.02884	4.0
309.03839	0.4
319.02414	2.9
337.03427	100.0
348.04947	2.2
383.90472	0.3
390.09631	0.5
407.12286	2.4
499.08725	8.6
509.72528	0.3
587.18872	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	586.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06618	25.6
59.35568	1.6
61.31717	1.6
66.16952	1.8
70.06593	15.3
72.04524	2.7
72.08160	8.5
75.27314	2.0
81.07068	2.7
83.74054	1.6
84.08152	44.6
91.05485	2.1
93.07048	3.2
95.19816	1.9
107.08556	2.3
109.06544	2.6
112.07566	3.1
114.09167	66.3
122.17973	2.1
127.03269	49.6
127.05547	2.2
127.08680	2.9
131.08585	3.8
137.09647	7.6
140.59769	1.6
143.02744	37.9
143.11801	100.0
148.11159	4.4
149.09627	38.3
157.09714	9.9
166.43248	1.9
181.04315	2.3
184.09021	36.9
185.09862	7.4
186.10612	4.3
191.11766	2.7
193.04329	10.9
198.12364	1.9
202.15961	3.7
209.03828	7.0
220.16978	2.2
224.13979	7.5
239.15065	7.6
242.15038	3.3
245.16574	3.9
261.10541	2.6
261.19641	14.4
263.17545	9.5
279.20700	8.5
291.11465	2.2
304.20111	4.6
355.21799	7.9
421.22791	4.2
448.23764	3.2
464.23196	12.0
466.24295	6.5
482.24197	10.3
483.27545	16.9
499.27197	37.1
510.23846	9.1
525.32208	50.8
527.26453	48.4
542.27295	2.7
542.34943	34.2
550.29840	2.6
569.31403	21.4
586.33929	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89058	0.7
53.24123	0.7
55.01887	0.9
69.03432	3.5
70.06586	5.8
72.08170	8.8
76.40532	0.9
81.03426	2.3
84.04513	1.0
84.08133	3.9
85.02908	7.1
85.07698	0.9
86.09704	10.7
94.99604	1.0
97.02894	4.3
101.16125	0.8
105.03697	0.9
107.04953	6.1
117.07010	1.8
122.03621	1.0
123.04376	0.9
124.03775	1.0
125.05997	0.9
125.94569	0.9
127.03930	1.1
129.07008	2.3
129.10243	11.2
130.08682	1.5
131.08565	1.2
137.05984	69.7
143.04921	3.7
143.11797	6.5
145.05008	1.5
145.06485	11.6
147.04424	1.8
147.11327	1.8
151.03938	3.3
151.07434	1.3
153.05482	1.8
157.06468	5.1
159.08083	9.4
160.05188	2.0
161.05980	4.5
163.03960	1.5
163.07536	1.8
167.07037	31.2
167.08405	1.6
171.11307	8.1
173.05980	27.1
175.07536	55.1
177.05486	2.2
179.07133	1.0
180.08649	5.2
180.21744	0.9
181.04901	1.2
187.07535	26.1
189.09138	7.7
190.06335	8.5
193.08633	1.4
197.16588	1.3
202.06372	1.9
203.07059	4.5
204.07712	1.2
205.08606	33.0
205.10406	1.6
209.90387	0.9
215.06935	1.2
217.06490	1.6
217.08588	44.7
219.10188	4.6
221.09755	1.3
228.13431	5.8
229.08824	1.0
231.08081	1.2
233.09630	5.7
235.07565	1.8
235.09668	24.3
241.08554	8.3
243.08186	1.4
247.09607	11.2
249.09030	8.3
260.08377	1.1
261.09116	12.0
263.10724	1.2
265.10730	22.6
266.09399	1.7
269.08142	5.2
277.08569	8.8
278.09402	6.1
278.89981	0.9
279.10312	1.0
279.65063	0.9
281.11700	4.2
285.07559	9.3
289.08627	1.6
291.10324	1.4
293.11661	9.8
294.08905	2.1
300.09967	18.8
301.10742	4.4
306.08945	6.9
307.09747	3.9
309.07983	1.1
309.11136	7.4
311.13083	0.9
313.10733	6.3
321.11234	9.8
323.09189	3.9
326.11578	7.3
338.11520	4.0
339.12329	4.9
341.13876	9.6
353.13818	42.6
355.15436	2.1
371.14896	100.0
557.81268	1.1
586.29840	1.9
586.39142	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	586.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
65.03957	1.0
67.50167	0.7
70.06594	0.8
75.04467	1.5
79.05521	0.7
85.02918	6.6
87.42538	0.6
91.05482	3.2
93.03407	16.1
93.07054	4.1
95.04948	1.2
97.02888	0.9
97.06525	1.2
101.05995	0.7
101.32553	0.9
103.05479	2.9
105.07020	6.3
106.04179	14.4
115.05506	0.9
119.04942	1.0
121.05682	1.4
121.06508	29.4
125.06003	11.0
131.04953	1.6
133.02864	3.4
133.06497	7.7
134.03674	2.8
137.05994	3.1
139.07545	3.5
144.08083	7.0
145.02864	1.7
147.04407	1.7
148.05196	1.3
148.30563	0.9
149.05991	72.5
151.07582	3.8
153.09116	17.4
161.05972	16.1
163.07559	3.8
167.07086	1.7
176.69507	0.7
177.05473	32.8
179.07008	1.0
181.08597	26.4
186.09183	1.5
191.07036	18.7
193.08604	14.1
204.10179	0.9
209.08090	100.0
313.61090	0.8
339.12088	0.9
341.14133	1.0
417.87970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41159	0.2
50.87819	0.2
51.93288	0.2
53.70431	0.2
56.58792	0.2
67.73770	0.2
72.08183	0.2
73.71156	0.2
85.02911	1.4
85.81396	0.2
89.25820	0.3
97.02854	0.4
105.07039	0.3
107.04938	0.5
123.04401	0.4
127.03884	0.3
133.06497	0.3
139.10948	0.2
149.05981	0.4
151.07515	0.3
161.05934	1.8
163.03923	1.0
165.05434	0.3
165.92506	0.2
167.07042	100.0
179.07066	1.3
180.08765	0.4
181.08611	1.3
192.07848	0.4
193.08609	5.0
211.09663	20.7
220.09677	0.3
222.11456	0.8
290.10861	0.3
357.13443	0.3
358.56189	0.2
389.16071	0.2
407.17102	1.5
586.27777	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	586.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07450	0.4
63.02377	0.5
69.30156	0.4
70.06541	0.5
85.02885	0.8
88.16988	0.5
94.98882	0.5
105.07025	1.9
107.04935	0.5
107.31960	0.4
111.75425	0.5
113.47449	0.5
117.63936	0.5
133.06497	4.7
157.06494	1.1
161.05960	9.5
163.07574	1.1
167.07030	27.6
167.08408	1.1
169.35565	0.5
170.09631	0.5
174.39183	0.5
175.07544	100.0
182.14854	0.5
185.05974	2.3
189.09157	2.6
191.07036	9.7
193.08606	65.1
203.06978	0.5
205.08636	4.1
209.08096	16.2
215.06561	0.6
217.08601	6.9
235.09650	43.1
289.08450	0.6
297.11115	0.7
307.09637	0.9
311.12766	0.6
321.11270	1.9
339.12457	0.6
353.13846	3.4
365.87650	0.6
371.14880	41.9
389.16046	10.3
407.17017	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	586.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35452	0.9
51.94396	0.7
53.02131	0.8
54.15070	0.9
55.01883	0.8
55.28166	0.8
67.05501	1.0
69.03429	1.2
70.06597	8.6
71.04987	4.0
72.08159	4.9
75.04475	3.7
81.03397	1.6
81.07049	4.9
84.08144	2.1
84.95567	0.8
85.02906	7.0
89.03941	1.1
91.05467	4.6
93.03416	12.0
93.07047	5.2
97.02897	1.7
103.05464	1.6
105.01831	1.5
105.07037	3.7
106.04182	16.7
106.83326	0.9
121.06498	26.1
123.04442	4.8
123.11704	1.9
125.05988	11.1
127.03973	3.3
131.04898	1.2
133.02893	2.3
133.06496	5.1
134.03722	1.5
137.05951	0.9
139.07588	1.8
141.12746	4.7
145.02861	2.2
147.04425	1.6
148.05212	1.3
149.05989	68.3
151.07538	2.2
153.05501	1.7
153.09131	16.3
159.13808	1.5
161.05978	9.5
163.03885	13.0
163.07544	5.3
164.04201	1.5
165.05513	5.1
166.06236	1.0
177.05482	36.4
179.07050	1.1
181.08601	26.3
190.39583	0.9
191.07053	16.9
193.08650	6.9
209.08102	100.0
220.09618	6.7
221.10081	3.7
222.11281	10.4
298.03922	0.9
356.31039	0.9
389.17886	1.4
451.34265	0.9
462.76950	1.0
524.26050	1.2
542.27960	12.4
560.40009	1.2
586.28088	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	586.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84825	1.3
53.84534	1.1
62.46836	1.4
63.99993	1.2
64.49089	1.5
70.06591	12.2
72.08132	2.6
81.07059	2.9
92.18459	1.8
96.08107	2.2
104.62181	1.5
107.04948	10.0
109.06523	1.9
118.51553	1.4
119.08595	5.9
119.38788	1.4
124.07605	8.1
126.10848	1.6
131.04915	2.8
135.04454	1.4
143.08528	1.5
147.04367	1.6
152.07016	2.6
163.03902	5.8
216.38640	1.5
233.15367	2.7
244.36687	1.7
244.39143	1.5
255.06590	9.0
290.55627	1.6
294.15836	1.4
300.48953	1.6
309.07571	10.8
323.09103	15.1
333.11438	2.2
335.09100	17.6
335.12796	6.9
362.13846	100.0
375.68555	1.4
378.13293	3.2
380.14874	2.5
424.14133	5.9
542.20081	6.3
586.19165	81.8
586.27448	5.4
614.36108	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	585.38
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31839	0.5
55.57965	0.7
58.06603	2.4
62.58294	0.6
78.05534	0.7
85.28935	0.6
88.97678	0.6
107.08604	0.8
144.08095	26.1
145.08853	0.9
158.09659	3.3
170.09654	100.0
171.10431	25.6
173.45894	0.7
174.12793	0.7
201.13870	7.3
202.14656	21.0
224.10577	0.7
224.14413	1.1
242.15453	0.9
254.15346	2.9
285.19669	24.5
295.38272	0.7
301.19031	1.0
315.20660	9.9
322.76736	0.6
333.09048	0.7
385.24936	1.2
396.93716	0.8
415.77551	1.2
416.27795	0.8
468.84827	0.7
581.40253	0.7
585.38043	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	1.4
59.58345	1.0
70.06573	1.5
98.09682	1.1
112.98745	1.2
122.09666	1.2
144.08084	8.5
158.09641	4.7
160.07587	18.7
167.07030	21.1
170.09630	29.6
171.10417	9.4
174.09134	11.6
186.09143	76.0
187.09901	17.4
199.12224	2.0
200.10728	14.0
201.11522	2.4
201.13896	7.1
202.11069	1.5
202.14670	6.3
203.06955	1.1
203.11781	12.1
213.13846	2.0
215.11821	7.3
217.13319	2.8
218.14139	15.1
229.13354	1.2
231.14949	1.4
232.15666	4.6
269.20148	26.7
368.20883	5.3
396.15497	1.1
570.35785	7.5
583.72125	1.2
585.37946	100.0
600.92834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14000	0.3
58.06590	2.1
58.27897	0.3
124.05822	0.3
144.08067	1.4
158.09715	0.6
160.07582	35.6
161.08308	0.4
170.09634	5.2
171.10388	1.2
174.09154	7.7
175.09818	0.5
186.09154	100.0
187.09938	33.4
188.10648	0.6
199.12292	1.7
200.10757	6.0
201.11551	2.1
201.13864	0.5
202.11040	1.4
202.14651	1.4
203.11823	2.5
210.12816	0.8
211.12218	0.6
213.13899	1.7
217.13347	6.7
218.14163	22.6
227.15421	0.8
231.15016	0.4
232.15768	2.8
241.14597	0.7
253.17313	0.4
271.18106	1.6
283.82224	0.4
285.19714	1.4
367.23535	0.5
368.21268	1.3
385.24921	1.6
470.43015	0.3
570.35742	1.6
585.38031	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30659	0.6
55.94798	0.6
58.06588	0.8
68.58961	0.7
69.03416	0.7
69.92396	0.6
70.06586	1.1
72.48933	0.7
81.07075	0.9
82.98425	0.7
85.02917	1.0
92.18413	0.9
95.08613	1.0
105.78306	0.8
109.02866	0.9
109.10149	1.0
133.10118	0.9
144.08102	3.9
158.09616	1.3
160.07573	30.2
170.09695	9.1
171.10495	1.2
174.09167	9.6
186.09148	89.5
187.09929	30.7
199.12415	1.1
200.10669	6.7
201.11536	3.7
201.13876	3.1
202.11055	1.4
202.14650	3.6
203.11787	3.8
213.13802	1.1
213.40480	0.9
214.12286	1.4
215.11870	2.9
217.13416	6.1
218.14143	20.7
226.15918	0.8
231.15025	1.3
232.15628	3.9
249.75958	0.7
269.20105	10.9
301.21716	1.4
319.22717	0.8
331.66699	0.8
337.23758	3.2
365.62463	0.8
368.20868	1.5
570.35632	3.6
585.38019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29304	0.5
55.05523	0.7
55.92102	0.5
67.05499	0.9
69.07059	0.6
70.06583	4.6
71.40430	0.6
72.04523	3.5
72.08164	7.7
74.30006	0.6
78.51999	0.5
80.05024	0.9
81.07053	1.3
83.05003	0.8
84.04491	1.0
84.08151	41.1
88.11256	1.6
89.61619	0.6
91.05492	2.7
92.18390	1.0
93.07074	1.1
98.06074	0.9
98.09681	2.7
105.07053	0.9
107.08596	1.0
109.10168	0.8
111.04422	5.4
112.07580	1.0
114.09174	36.2
115.08672	1.4
119.04951	6.7
120.08068	0.8
120.38499	0.7
121.02883	4.4
121.10154	1.0
125.10736	0.8
127.08681	4.0
127.09521	0.7
131.11829	1.4
133.10143	1.0
134.09671	1.3
139.03983	0.8
143.11812	42.1
147.04420	7.2
147.64896	0.6
150.12839	1.0
157.09735	1.3
171.14943	1.4
175.03903	29.1
175.05325	1.2
193.13429	2.8
199.14461	5.0
204.17537	0.8
207.06526	36.4
220.47319	0.7
263.21182	2.8
281.22369	1.2
286.21814	0.8
299.23193	0.9
317.24500	1.5
337.23929	1.2
341.25705	0.8
359.26422	0.8
423.21448	2.7
497.29605	1.5
543.28943	1.4
585.31396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32161	0.5
55.40660	0.5
58.65887	0.5
59.47736	0.5
63.61463	0.6
65.74998	0.5
69.03424	1.2
69.07076	0.7
70.06597	83.5
72.08161	14.0
81.07063	1.2
84.08146	2.8
85.02896	1.3
86.09703	1.2
87.00861	0.8
92.12205	0.7
95.08604	1.1
97.06551	0.8
98.06053	1.0
100.07610	2.9
105.07063	0.6
106.70791	0.6
107.08599	1.0
109.02881	0.8
109.10164	0.9
110.09694	13.4
112.11267	1.3
121.10133	0.9
123.04431	11.4
124.61785	0.7
127.03931	1.1
127.12298	3.0
127.72697	0.6
136.07581	0.7
137.06006	1.3
144.08076	6.1
145.10068	0.9
163.03915	4.9
164.04222	0.9
164.07144	0.7
165.05469	9.5
170.09636	25.4
171.10451	5.6
177.05630	0.7
192.06569	0.9
200.11157	0.7
201.13974	0.8
202.14714	2.7
206.08133	2.8
216.06645	5.3
217.07364	1.0
218.08124	12.2
220.09660	2.6
221.10139	1.1
222.11250	42.4
234.07614	7.7
234.11201	1.3
236.12894	3.1
241.19646	0.8
257.09201	0.8
258.07654	2.7
260.09283	3.2
284.11804	0.8
305.14917	1.4
315.13449	8.1
317.11655	0.9
317.15021	1.2
319.22681	1.1
331.16605	1.4
331.84671	0.7
333.14536	5.6
334.17413	0.9
386.20599	7.3
549.26910	0.7
567.28149	20.6
585.29089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24710	0.4
55.01833	0.7
58.06562	1.0
63.94108	0.4
69.03388	0.6
70.06552	1.6
72.08158	7.2
79.88770	0.4
81.07035	0.7
84.08073	2.5
85.02845	3.0
87.00773	0.7
88.11240	0.8
91.05448	0.7
95.08575	1.0
97.02884	1.3
99.04427	0.5
105.06950	2.1
106.07351	0.5
107.08539	0.8
109.02795	0.5
109.10095	0.6
112.11214	4.1
119.04877	0.9
121.10055	0.6
123.04422	3.8
123.05112	0.6
127.03845	0.9
129.13857	0.9
131.08540	0.7
133.06456	0.9
133.10020	0.8
137.05890	0.9
145.10059	0.7
147.04349	1.1
150.06665	0.7
151.07349	0.4
161.05942	0.8
163.03909	3.3
165.05481	4.8
166.09355	0.6
167.06963	2.7
170.09636	1.0
171.11565	0.8
175.03860	5.1
177.05507	0.7
185.13142	0.7
188.07076	0.5
193.08615	10.3
194.08917	5.4
197.13327	0.6
199.14574	0.9
206.08055	1.1
207.06499	6.8
211.09602	7.1
211.90115	0.5
212.09982	5.7
222.11455	1.5
223.04381	0.5
223.14784	0.7
225.16289	1.9
234.07593	64.7
236.10841	0.5
236.12851	8.0
241.19493	0.7
243.17570	0.8
248.09175	0.8
251.09128	0.7
257.09134	3.1
258.07611	1.1
271.20648	0.9
275.10303	2.8
276.08691	7.8
283.20499	2.0
285.22101	0.6
293.18564	4.2
301.21591	2.9
310.21292	2.4
315.13248	0.9
318.12070	3.0
319.22754	2.6
332.16000	0.9
333.14435	100.0
337.23648	0.9
541.30432	0.6
567.28284	0.8
568.26379	0.7
585.29224	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74342	0.5
70.06594	13.5
72.08160	10.9
73.53590	0.6
82.45212	0.6
84.08149	5.4
86.09713	1.0
88.88044	0.6
91.48586	0.5
98.09692	0.9
110.09721	1.4
112.11243	6.8
112.51614	0.7
114.09187	3.0
114.10284	0.7
117.03421	0.7
117.44713	0.6
123.04391	0.9
129.13902	3.0
135.04440	0.9
145.02882	2.4
152.07077	3.0
155.11807	4.0
163.03908	44.3
172.14439	1.0
176.07065	0.6
192.06667	0.6
194.08253	1.1
209.16502	0.9
216.16954	0.8
218.08182	5.2
220.09688	67.2
221.09915	0.7
222.11328	3.4
228.15910	0.7
234.11397	0.6
236.09183	6.3
238.10745	5.0
260.09155	6.3
262.10928	0.9
275.14001	1.0
278.10260	23.5
289.15659	1.1
308.19876	4.1
331.16229	1.8
346.21292	4.0
349.17752	3.3
363.24030	1.2
388.22360	2.7
406.23557	2.3
423.25998	2.2
553.26648	6.2
567.28192	1.3
585.29297	100.0
585.44409	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	585.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74635	6.2
59.80701	6.2
60.34895	5.8
67.05514	7.2
68.46584	6.8
69.03429	12.8
69.07059	7.2
70.06557	24.2
74.56689	5.5
79.05479	9.0
81.03417	10.6
81.07064	44.1
84.50167	5.7
85.02906	73.0
85.06538	9.0
87.00829	11.9
89.96160	5.6
91.05481	6.5
93.07040	14.4
95.08624	46.1
97.02888	26.7
105.01851	10.9
105.07037	14.4
107.08599	25.2
109.02907	11.2
109.10153	46.0
110.09692	7.7
111.08098	8.8
114.09204	12.0
115.19668	6.4
119.08614	11.2
121.10155	47.0
121.67023	6.1
123.11688	11.0
127.03912	34.0
128.75687	6.7
133.10132	26.4
135.08089	10.9
135.11636	8.5
139.11165	8.0
145.10155	9.6
147.11671	35.9
149.13284	26.8
152.10693	40.5
159.11726	15.9
161.13248	13.8
170.11748	8.7
171.11653	8.0
173.13298	8.1
186.09192	9.0
189.12839	8.7
193.12230	28.3
199.14806	26.1
207.13692	6.8
227.17920	13.5
227.71886	6.4
232.09677	7.0
255.21048	86.1
273.22092	49.4
291.23331	8.4
301.21606	100.0
310.87631	6.8
319.22699	34.2
337.23840	84.2
379.03775	6.2
479.62161	7.9
513.24976	6.7
521.27557	14.3
549.27197	8.7
567.28583	12.2
585.29724	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00090	0.2
56.15972	0.3
58.06599	1.1
58.46634	0.2
69.07017	0.3
70.06591	0.7
85.02898	0.7
88.23433	0.3
126.97055	0.3
133.02574	0.3
135.04469	0.3
137.05983	1.2
138.15701	0.3
144.08096	28.6
145.06534	0.3
145.08803	1.4
153.05519	0.4
158.09669	1.7
170.09654	100.0
171.10428	22.9
175.07547	2.8
180.07713	0.4
181.04959	1.8
185.64404	0.4
187.07555	1.3
187.12375	0.5
189.09041	0.4
201.13889	5.2
202.14662	13.1
261.84955	0.3
358.13577	0.3
387.14407	0.3
411.14642	0.6
413.36328	0.3
443.16852	2.5
466.80621	0.3
553.03296	0.4
584.77771	0.4
585.28143	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.265
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58919	0.3
69.03431	0.5
70.06606	0.6
78.45602	0.4
80.80447	0.4
84.04517	1.0
84.08152	2.6
88.11269	5.0
91.05474	4.8
114.09155	2.6
119.04943	18.7
119.05807	0.8
130.04968	0.7
134.06895	0.4
143.11816	1.8
144.08073	5.7
147.04410	23.5
157.03995	2.0
159.55524	0.4
167.06966	0.5
170.09637	16.4
171.10379	3.7
171.14908	5.6
175.03899	80.1
179.07042	1.6
186.09169	0.5
193.08530	3.5
194.08936	2.9
195.51254	0.4
199.14407	14.9
200.12833	2.2
201.13921	0.6
202.14662	1.9
207.06520	100.0
211.09633	3.4
212.09999	2.3
217.15436	3.9
252.09442	0.4
336.10757	0.9
351.11008	0.6
369.11887	0.5
372.10214	0.4
405.20029	0.9
423.21243	9.2
585.26733	16.4
608.43365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57845	0.3
65.23098	0.4
69.03428	0.4
70.06605	0.8
72.08158	0.7
78.33620	0.4
84.08143	0.7
85.02896	0.6
91.05473	0.4
97.06522	0.5
104.68790	0.4
105.07054	1.9
107.04970	0.7
107.08543	0.4
108.77813	0.4
115.25510	0.3
121.06453	0.4
123.04423	0.8
127.03951	0.6
133.06522	1.5
134.06822	0.6
135.08047	0.8
137.05984	2.6
138.06323	0.7
147.04420	0.6
149.05894	0.6
159.24953	0.4
161.05968	1.6
163.03957	0.6
163.07559	0.8
167.07039	100.0
168.07387	0.6
175.03903	2.4
175.07559	2.1
176.07899	0.7
176.50203	0.4
179.07025	0.5
181.08626	0.9
189.13190	0.4
193.08615	8.9
194.08917	3.0
195.10101	0.8
207.06517	3.5
211.09656	16.3
212.10072	1.4
213.11229	3.3
222.11267	1.8
234.07611	0.4
244.49377	0.4
266.85611	0.5
357.13419	0.5
358.67474	0.5
372.15283	0.6
376.14743	0.8
423.21320	1.4
424.18082	0.5
528.62811	0.4
585.29034	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	585.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03580	2.6
60.08160	3.1
91.23235	2.9
135.08151	2.9
159.49263	2.9
162.05493	30.4
165.10072	3.1
273.12421	4.5
275.14026	14.8
368.19888	5.6
396.19177	4.3
406.17334	6.0
424.18594	100.0
451.14999	3.6
585.23767	6.1
585.32904	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2334
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
50.20270	1.3
65.03925	2.0
93.03411	2.5
99.89746	1.3
107.04961	3.3
109.10255	1.4
110.03665	2.7
111.04443	6.1
121.02861	5.9
125.05996	9.0
135.04453	1.3
151.03900	28.5
151.05005	2.4
153.05458	19.5
160.07535	2.6
161.05965	1.7
163.03983	1.5
170.09695	3.5
180.88501	1.6
186.09155	8.6
218.14252	2.3
221.09608	1.8
240.07857	5.5
253.08514	15.3
253.12253	7.4
254.09183	1.7
255.06593	1.8
255.10106	1.8
266.09360	1.8
278.87332	1.6
281.08197	3.1
281.11713	3.0
282.08762	2.5
283.09592	5.5
284.10089	1.8
285.11511	1.8
285.14865	1.8
294.08755	2.1
295.09885	6.2
298.12183	2.3
299.12842	8.1
309.11371	7.1
310.12033	2.3
313.10721	15.6
313.14395	6.5
327.12262	24.8
331.15497	2.6
341.13712	2.5
359.14880	100.0
371.14923	6.6
389.15933	6.0
523.19824	1.8
585.37994	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	584.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24175	1.7
56.80547	1.6
57.06873	1.5
57.07085	26.2
58.43311	1.9
69.03490	1.9
69.07067	2.8
71.08638	27.5
73.06564	3.5
77.84311	2.5
79.12733	2.0
85.10188	20.7
89.05507	4.6
89.06040	100.0
117.09185	2.5
117.26489	2.3
133.08632	25.9
161.11658	2.0
177.11230	9.2
196.79990	2.1
221.13887	3.2
285.27850	2.2
329.30466	3.2
371.22672	12.7
374.12924	2.3
567.44629	52.6
584.47601	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	585.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48570	0.9
59.39115	0.9
63.09054	0.9
65.31027	1.1
66.05136	0.9
82.99820	1.2
94.06538	1.1
127.02414	2.0
143.01904	40.5
145.03471	5.2
155.01875	14.5
157.03418	1.4
161.02953	22.5
167.01904	15.2
173.02939	10.7
181.03438	2.2
183.05051	4.4
185.02956	43.5
197.03003	5.5
199.04517	8.3
201.06084	1.5
203.04002	18.2
209.02969	8.2
213.06108	12.7
215.04053	7.7
217.05617	4.2
223.04430	1.1
225.06114	1.6
227.04004	100.0
231.07399	1.3
239.03992	2.5
241.05557	13.6
243.03513	11.3
245.05045	64.8
253.01956	9.3
253.05537	1.6
257.05151	4.7
259.06656	5.3
261.04559	7.8
263.06146	8.1
267.03650	1.9
269.04852	1.5
271.02979	48.5
279.05655	1.5
281.05081	1.3
285.04810	2.0
289.04053	6.0
303.05582	16.2
305.07242	4.0
313.04138	1.7
315.05469	1.7
333.06805	1.2
355.05054	2.5
363.07703	7.7
365.10068	2.5
373.06006	7.8
383.10373	7.3
391.07031	10.3
405.08926	4.3
414.08975	1.5
423.09833	16.8
523.15204	8.0
535.11987	4.4
553.12469	27.2
567.14313	1.4
585.15143	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	584.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
106.45325	3.2
117.05528	5.3
144.22493	3.6
145.02867	39.0
145.31067	3.6
177.05460	100.0
177.06897	4.2
219.56924	3.4
327.25317	67.7
344.30310	4.7
405.26535	4.7
444.39624	3.7
557.97723	3.9
558.06592	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	584.474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93311	2.0
57.07075	19.2
57.27270	2.0
57.50248	1.9
64.09272	2.4
71.08645	21.5
72.92205	2.2
77.18477	2.3
85.10181	11.4
87.04536	2.2
89.06042	100.0
133.08606	27.7
134.88383	2.3
169.65367	2.2
172.62584	2.5
177.11240	13.1
337.33948	3.2
371.22864	28.9
387.95383	2.6
567.44751	36.1
584.47400	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21346	0.6
54.48166	0.6
55.01882	0.8
55.05510	0.6
57.03426	0.7
65.54774	0.6
69.03432	4.6
70.06584	0.8
70.09731	0.5
72.08162	0.7
73.02917	0.8
81.03423	4.2
81.07051	0.8
83.08621	1.0
84.08121	0.6
85.02908	14.5
87.00849	6.2
95.08595	1.0
97.02882	5.6
98.33006	0.6
99.04469	2.5
104.10760	0.9
105.01899	6.0
105.06974	0.7
109.02892	6.8
109.10179	1.3
114.77198	0.6
117.29632	0.6
123.11696	3.1
127.03913	12.2
133.10132	0.9
135.08043	7.0
136.06184	0.7
145.04961	2.9
146.89662	0.6
147.08067	18.0
157.35298	0.7
159.02879	4.5
159.08006	1.1
161.09615	27.5
163.03824	0.7
163.11191	5.3
165.09120	11.0
171.08046	0.8
173.09628	1.4
184.07275	0.6
187.11182	6.3
191.10672	0.7
199.11221	3.1
201.12831	1.1
205.12196	7.9
213.12871	0.8
217.12222	1.3
231.05005	2.5
249.06015	1.1
255.17430	1.2
268.17999	0.8
273.18555	4.6
283.20572	30.1
284.54099	0.6
299.20322	0.7
301.21634	100.0
309.04483	0.6
311.13510	0.6
319.22592	9.4
422.13083	0.7
531.25006	1.1
549.26672	2.8
584.29852	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	584.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.01888	1.0
55.05540	1.1
57.01793	0.6
57.03455	0.9
67.05519	0.9
69.03432	6.0
69.07085	2.6
70.06594	0.9
71.01397	0.6
71.04988	0.9
71.13097	0.6
72.08162	1.0
76.25491	0.7
81.03426	3.6
83.08641	1.7
85.02911	24.5
87.00837	6.5
95.08622	1.1
95.28368	0.7
97.02907	5.6
97.10203	2.8
99.04487	3.2
105.01875	10.6
107.08581	1.0
109.02907	5.6
109.10172	0.9
123.04395	0.8
123.11689	1.2
125.11723	0.6
127.03914	14.7
127.84898	0.7
129.01877	0.8
133.10150	1.0
141.01773	2.2
145.04984	3.5
145.06360	0.6
147.08055	13.7
153.05460	1.2
159.02945	1.6
159.08078	3.2
161.09642	2.8
163.03987	0.8
163.11259	1.1
165.09064	9.9
173.09644	4.5
175.11324	0.8
184.07347	0.9
185.09669	1.3
185.13374	2.6
186.13596	2.6
187.11163	9.1
187.14708	0.8
191.10695	2.9
199.11261	8.1
201.12805	4.3
205.12253	13.4
205.13997	0.8
212.90683	0.7
213.12775	4.2
215.14314	1.5
216.51305	0.6
217.12222	8.3
219.13852	1.0
227.14395	4.0
229.15913	1.2
230.16251	0.9
231.04984	4.9
231.13863	3.7
241.15970	4.2
245.15463	1.1
249.06046	5.0
255.17422	10.1
257.19086	1.4
258.19467	1.1
268.18130	5.9
281.19092	0.8
283.20554	100.0
300.20401	1.3
301.21625	50.1
318.21643	1.6
319.22855	2.6
336.22748	1.3
566.26825	1.3
584.28235	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	584.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49002	0.6
53.03961	0.8
55.01870	1.1
55.05508	0.6
57.03425	2.7
61.02935	2.7
67.05521	0.7
68.99786	0.7
69.03437	16.2
69.07069	3.2
70.06584	0.9
71.04990	1.7
72.08131	1.0
73.02908	3.2
73.52618	0.7
81.03432	12.6
81.07051	1.6
82.68369	0.7
83.04996	1.4
85.02911	100.0
86.09698	0.9
87.00827	19.3
93.07065	0.9
95.01326	1.2
95.08638	2.3
97.02895	21.1
97.06541	2.6
99.00816	1.0
99.04464	8.6
103.03936	3.3
105.01869	30.4
105.07022	2.7
107.08613	0.8
109.02889	20.1
109.10162	1.5
111.04434	1.6
113.02347	2.9
123.04418	1.5
125.02352	1.0
127.03918	45.2
129.01851	4.7
131.03448	0.8
131.08568	0.7
133.10172	0.9
137.05989	1.6
139.03894	0.7
141.01839	16.6
141.02863	1.3
145.04955	10.9
147.02933	3.0
147.06491	1.0
151.03833	2.7
153.12753	0.8
155.11781	2.9
159.02911	8.5
159.08047	1.7
161.13213	0.9
163.03912	1.2
169.05014	1.0
171.02826	0.8
173.04663	0.8
177.05528	1.0
179.03360	0.8
181.04932	1.0
184.07378	4.1
187.05963	0.8
187.07515	2.7
189.03951	5.3
193.05135	1.0
213.03993	2.9
219.10161	1.1
223.06064	0.8
231.04988	17.5
236.12796	1.6
243.04887	0.7
249.06068	11.9
253.19537	0.8
261.06125	5.2
267.04990	1.0
269.17480	2.9
273.06024	4.9
273.22202	1.7
285.06104	3.0
301.21576	0.9
303.07156	1.6
311.18552	1.0
318.17007	4.5
329.90070	0.7
337.16507	3.2
354.72910	0.8
355.17465	3.3
371.06049	1.4
373.18600	2.9
389.07043	5.1
407.08377	5.3
408.22488	1.0
425.09244	1.2
499.77637	0.9
566.35602	0.8
584.24652	0.7
584.33783	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.235
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72329	1.0
61.48691	0.9
70.06590	1.7
79.05522	1.3
85.02914	4.4
86.09718	2.5
91.66304	1.3
93.07035	1.1
97.02920	2.0
105.07031	5.0
107.04987	2.9
109.06518	1.3
112.10354	1.3
123.04379	1.7
129.07036	1.7
131.08574	1.6
133.06517	5.5
137.06013	2.5
149.05904	1.4
151.03998	1.2
155.04933	1.7
159.07980	1.6
161.05971	12.9
161.09593	2.3
163.07561	5.1
167.07042	88.9
181.04953	19.3
183.04431	6.9
187.07568	10.2
189.05479	7.3
189.09155	2.8
193.08618	37.6
200.04753	5.6
207.06537	32.5
215.07053	43.4
215.09045	2.3
225.14856	2.4
231.08003	1.4
231.10248	1.7
233.08049	9.3
249.08949	3.0
249.11235	33.9
259.07574	7.5
260.08826	1.3
267.10056	1.3
271.62753	1.3
276.07904	1.5
277.08618	4.6
287.07108	8.0
290.05756	6.3
290.09372	1.7
291.10217	5.0
297.34506	1.3
304.07285	5.6
305.08099	16.0
309.11279	1.9
319.09647	15.3
320.10516	1.5
327.12372	1.4
336.10104	4.5
337.10657	9.9
343.15552	1.7
351.12271	26.6
361.16650	1.6
369.13342	100.0
387.14413	45.0
405.15555	5.9
551.94080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
69.03439	1.6
70.06590	2.2
72.08146	4.3
84.08127	2.1
85.02906	7.8
88.49249	1.0
93.03400	1.9
93.07075	1.8
95.04967	1.1
97.02891	2.9
105.07042	1.9
106.04182	2.6
107.04970	1.5
108.66911	1.1
109.02874	1.5
109.10110	1.3
110.03620	1.4
121.06503	4.7
123.04451	1.5
125.05994	1.8
127.03909	2.0
131.10318	1.4
133.06485	1.7
134.03790	1.2
137.05931	5.2
149.05980	10.9
153.05476	1.7
161.05975	18.1
163.03908	2.5
167.07039	46.9
175.07544	9.1
177.05486	6.0
179.07083	4.9
181.08569	2.6
188.04697	1.5
191.07004	11.7
192.07762	1.7
193.08675	14.3
203.07057	29.1
205.08614	15.2
209.08052	13.9
211.09645	12.0
221.08060	2.7
223.07561	2.4
233.08209	1.9
237.09158	2.8
251.06947	2.2
251.09221	2.0
255.10210	5.5
265.08484	2.4
279.09869	1.9
283.09607	19.6
293.08145	1.8
295.09689	2.3
297.11142	12.9
307.09732	4.8
315.12305	33.0
321.96561	1.2
325.10675	23.1
327.12186	9.3
329.13998	1.3
331.29306	1.2
339.12448	2.2
357.13306	65.8
375.14377	100.0
387.14426	13.3
390.85306	1.4
405.15402	10.1
419.50363	1.2
513.50574	1.4
552.96906	1.3
584.26422	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	584.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
69.03439	1.6
70.06590	2.2
72.08146	4.3
84.08127	2.1
85.02906	7.8
88.49249	1.0
93.03400	1.9
93.07075	1.8
95.04967	1.1
97.02891	2.9
105.07042	1.9
106.04182	2.6
107.04970	1.5
108.66911	1.1
109.02874	1.5
109.10110	1.3
110.03620	1.4
121.06503	4.7
123.04451	1.5
125.05994	1.8
127.03909	2.0
131.10318	1.4
133.06485	1.7
134.03790	1.2
137.05931	5.2
149.05980	10.9
153.05476	1.7
161.05975	18.1
163.03908	2.5
167.07039	46.9
175.07544	9.1
177.05486	6.0
179.07083	4.9
181.08569	2.6
188.04697	1.5
191.07004	11.7
192.07762	1.7
193.08675	14.3
203.07057	29.1
205.08614	15.2
209.08052	13.9
211.09645	12.0
221.08060	2.7
223.07561	2.4
233.08209	1.9
237.09158	2.8
251.06947	2.2
251.09221	2.0
255.10210	5.5
265.08484	2.4
279.09869	1.9
283.09607	19.6
293.08145	1.8
295.09689	2.3
297.11142	12.9
307.09732	4.8
315.12305	33.0
321.96561	1.2
325.10675	23.1
327.12186	9.3
329.13998	1.3
331.29306	1.2
339.12448	2.2
357.13306	65.8
375.14377	100.0
387.14426	13.3
390.85306	1.4
405.15402	10.1
419.50363	1.2
513.50574	1.4
552.96906	1.3
584.26422	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	584.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93448	0.6
58.53805	0.6
59.72295	0.7
69.03438	1.0
71.05779	0.7
74.29851	0.7
85.02896	5.6
94.79446	0.7
97.02900	1.3
107.04972	3.0
127.03892	1.3
127.32882	1.0
131.69411	0.7
135.54283	0.8
137.05992	3.9
140.04732	0.6
143.04910	1.4
153.05472	1.7
155.07008	1.2
161.05977	18.9
163.07593	1.6
167.07039	39.7
175.07587	6.8
179.07025	4.9
180.08713	1.1
188.04738	1.0
189.09125	1.8
191.07001	8.2
195.08089	1.4
203.07022	32.5
203.08824	1.4
205.08592	15.7
209.08060	1.6
221.08035	1.0
223.07536	3.8
233.05971	1.0
233.08080	4.3
237.09114	3.3
240.07802	0.9
241.08586	1.2
247.07513	1.5
251.07021	6.2
255.10130	7.3
265.08615	5.0
267.10080	1.6
270.08725	1.5
279.10242	3.0
283.09631	21.2
293.08084	3.3
295.09726	4.0
297.11221	14.2
307.09631	8.4
310.08316	3.0
315.12253	42.8
323.09171	0.9
325.10721	26.6
327.12286	9.5
339.12372	3.6
342.10950	3.4
357.08746	1.1
357.13324	75.5
375.14380	100.0
387.14459	10.5
405.15421	7.8
447.76932	0.8
457.37628	0.8
509.81696	0.8
511.88721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99429	0.4
72.08153	0.6
79.05492	1.1
91.05472	1.2
97.06501	0.5
102.62836	0.4
103.05488	0.9
105.06380	0.8
105.07034	14.3
107.04951	0.7
108.05714	0.5
109.06544	0.6
109.62303	0.4
118.04136	2.6
119.04910	2.7
121.06498	2.1
123.08047	3.2
125.05990	0.7
131.04935	0.8
133.06502	16.5
135.08066	2.8
137.05983	5.8
149.05984	6.2
150.06764	7.4
151.07544	5.3
161.06000	6.8
165.09114	14.9
167.07039	11.0
175.07605	0.5
176.21475	0.5
177.05466	3.1
178.06285	0.7
179.07051	2.9
181.08633	5.1
191.07042	2.3
193.08617	100.0
209.08075	6.4
211.09659	77.8
216.37379	0.5
223.04240	6.2
251.09143	13.1
307.13614	0.5
312.09106	0.5
325.24109	0.5
368.87555	0.6
371.14932	1.7
387.13739	0.5
396.14078	0.5
403.17584	5.3
424.95749	0.5
437.06656	0.5
509.64392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06364	0.7
58.06612	15.4
59.07141	0.7
59.07395	13.2
60.08173	25.3
68.41896	0.7
81.02019	0.6
81.29745	0.7
83.04974	0.7
86.09707	8.4
91.05484	4.3
100.65850	0.6
103.05489	1.3
105.06990	2.8
106.06646	0.7
118.06510	2.6
119.07328	3.6
130.06529	0.7
131.04936	10.7
135.06734	0.9
136.07602	4.0
142.26949	0.6
145.05222	3.8
146.06032	4.2
148.07524	0.7
148.11211	1.1
162.05530	0.7
166.07733	0.6
174.30919	0.6
179.08571	4.7
181.06458	1.2
181.10289	0.8
196.11172	1.0
207.08090	5.5
224.10710	14.3
229.13339	1.1
236.10709	3.7
249.11510	1.6
250.12112	2.1
276.10349	0.8
309.19601	8.5
430.55432	0.8
430.89484	0.7
524.25061	0.9
555.33075	1.4
583.32806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3287
Annotation	Cinnamacrin C
Peak:m/z	Relative Intensity
58.06318	0.5
58.06607	12.1
59.07391	7.0
60.08175	21.8
63.13948	0.4
64.30633	0.5
69.20598	0.5
77.75544	0.4
82.98482	0.5
83.06310	0.4
84.08150	0.6
85.97977	0.5
86.09706	1.0
88.41540	0.5
89.74736	0.5
91.05473	5.9
95.05042	0.5
103.05472	2.6
104.06242	2.2
105.07055	4.5
106.06568	0.9
117.07015	0.6
119.07322	2.6
120.08109	41.6
130.06511	3.4
131.04924	13.0
132.08093	1.2
134.06023	10.5
134.09645	2.6
135.06853	0.9
136.07555	0.5
144.08095	0.5
146.06020	2.0
147.09230	0.5
148.07599	9.1
148.11255	2.8
158.06044	0.5
170.06015	0.6
172.07610	0.8
175.08676	5.5
186.12785	0.6
190.12273	10.1
192.69928	0.5
200.10730	5.9
202.12291	8.9
207.14923	7.3
212.10878	1.0
214.12253	2.9
215.13058	0.7
217.13335	0.7
222.12753	5.0
228.10112	0.9
250.12357	0.8
307.14719	0.5
326.58438	0.5
347.17664	1.0
349.19119	1.1
524.25439	1.9
543.20465	0.5
555.33276	4.3
583.32843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3285
Annotation	Cinnamacrin C
Peak:m/z	Relative Intensity
56.81641	0.5
58.06612	17.6
59.07395	11.9
60.08178	24.2
72.30710	0.6
86.09711	8.8
91.05473	4.8
96.19874	0.5
103.05468	1.4
105.03437	0.6
105.07034	3.3
105.15247	0.5
118.06566	2.5
119.07321	4.2
120.08152	0.9
130.06541	0.8
131.04951	11.2
134.06030	1.2
135.06831	0.7
136.07597	3.8
145.05251	3.5
146.06058	2.5
148.07623	1.4
148.11197	1.1
158.65018	0.8
176.80469	0.7
179.08530	5.7
181.06412	1.1
181.10110	1.2
188.14307	0.9
196.11322	0.9
196.81056	0.7
207.08041	4.4
208.11102	0.8
221.09831	0.7
224.10707	16.0
229.13474	0.8
236.10782	3.5
248.10783	0.7
249.11494	1.3
250.12396	2.2
276.10284	0.7
280.87863	0.6
309.19669	9.0
372.92523	0.9
381.24615	0.6
383.17798	1.0
396.19901	0.6
449.43719	0.6
524.25867	0.8
555.33289	2.4
583.32849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.4
56.30338	0.2
58.06585	0.2
70.06594	1.4
72.08137	0.3
84.08181	1.4
85.08930	2.9
100.11263	100.0
163.03914	0.2
258.48825	0.2
278.64417	0.2
313.73544	0.2
539.26428	0.2
583.31238	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	583.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84866	0.3
58.06323	0.5
58.06609	15.7
59.07390	12.9
60.08171	23.9
69.07060	1.0
84.08138	0.5
86.09713	8.9
89.13651	0.5
89.74847	0.4
91.05484	5.5
94.94617	0.4
103.05466	0.6
104.05014	0.4
105.03374	0.9
105.07021	2.4
106.06572	0.5
112.07570	0.5
115.05457	0.4
118.06553	2.0
119.04961	0.5
119.07323	5.0
120.08124	2.6
129.24052	0.4
130.06534	0.6
131.04929	12.0
134.06049	1.6
135.06783	0.8
136.07594	4.7
145.05269	4.4
146.05975	2.9
148.07574	2.1
148.11151	0.5
179.08542	4.7
181.06477	0.8
181.10071	0.9
188.14391	0.7
196.11224	1.0
205.10248	0.5
206.09749	0.6
207.08037	4.1
207.14952	0.6
208.11298	0.6
220.11127	0.7
222.12718	0.6
224.10686	16.7
229.13374	0.6
236.10670	4.1
246.09111	0.6
248.01852	0.5
248.10736	1.6
249.11482	2.1
250.12213	2.3
251.11838	0.5
262.08655	0.5
279.11490	0.5
304.58667	0.4
309.19617	8.4
383.17566	0.8
392.19778	0.5
524.26251	0.5
555.33124	2.4
560.33331	0.4
583.32800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
55.26693	0.4
68.02132	0.4
70.06613	4.1
72.04515	2.0
72.08162	5.2
79.05489	0.6
81.07062	1.0
83.05001	2.7
84.05650	1.1
84.08156	40.4
91.05490	0.5
93.03413	0.6
93.26131	0.4
98.06038	0.5
100.11287	0.7
107.19304	0.5
111.04452	4.6
112.07678	0.7
114.09174	39.8
115.08754	1.0
121.02872	5.4
125.10783	0.9
126.30284	0.4
127.08709	2.3
131.08624	0.6
139.03870	0.5
143.11806	57.6
148.11208	0.5
149.09665	0.7
157.09784	1.8
173.12863	0.9
226.15564	1.0
239.15099	2.9
243.45976	0.5
257.16043	0.6
261.19730	0.7
357.24976	0.5
467.31018	0.6
495.28189	1.1
501.22058	0.7
583.29761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	2.1
65.09662	0.4
70.06587	0.8
72.08157	8.0
81.16582	0.5
84.08148	3.7
112.11254	4.9
113.41474	0.5
129.13908	3.1
133.49364	0.4
135.04430	1.7
140.07112	0.4
144.08080	7.4
145.02826	2.0
155.11806	1.8
158.09608	0.5
163.03893	56.0
167.06989	0.8
170.09645	28.4
171.10399	5.6
191.06769	0.5
201.13896	2.0
202.14731	2.7
219.11272	1.1
220.09685	59.4
222.11549	0.5
234.07597	16.8
234.11343	1.7
257.09213	0.7
258.07748	0.5
276.08649	4.8
305.57089	0.5
329.14975	0.6
332.16147	0.5
333.14444	12.9
347.16061	9.5
364.18918	0.9
377.50156	0.5
404.21848	7.9
421.24570	8.0
539.28925	0.5
583.27472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03306	0.6
52.19154	0.6
52.56267	0.6
57.39348	0.6
58.06600	0.9
60.75146	0.7
67.05491	1.0
69.03424	1.6
69.07080	1.0
70.06598	65.9
72.08160	13.5
72.37478	0.7
74.19086	0.7
75.09230	0.7
81.07063	3.4
81.45899	0.7
83.08601	0.8
84.08144	5.4
85.02907	4.1
85.06547	1.0
89.50377	0.7
90.06020	0.7
91.50374	0.8
92.38468	0.7
93.07025	0.8
95.08609	3.5
97.92356	0.8
98.06046	1.4
98.09691	1.3
99.04489	1.2
107.08583	1.5
108.07997	0.8
109.02838	1.2
109.10148	3.5
110.09682	29.6
112.11253	3.0
113.06011	3.3
119.08590	1.1
121.10153	1.3
123.04350	0.9
123.11676	1.0
127.03933	1.2
127.12323	4.1
133.10123	1.1
135.04449	3.6
135.11740	1.0
135.50235	0.7
137.06038	1.1
138.09128	0.8
141.10265	1.4
145.02864	5.0
145.10199	1.2
153.05415	0.7
153.10229	3.6
155.11839	1.2
161.09624	1.0
162.05562	1.0
163.03902	81.7
170.09698	1.4
171.28856	0.8
176.07094	1.0
192.06554	1.4
207.06543	1.3
214.08553	1.0
215.04924	0.8
216.06523	2.9
217.07274	3.4
218.08144	22.2
220.09694	82.3
221.08150	3.3
224.90390	0.8
228.06490	0.9
232.09814	1.5
234.07680	3.1
234.11288	2.5
237.12457	0.9
242.08070	0.9
258.07718	1.1
260.08990	7.1
299.19989	1.3
299.25812	1.4
317.21149	3.7
317.26855	1.3
329.15033	4.5
331.16504	6.3
335.22208	3.7
347.15707	0.9
354.22906	0.8
368.20001	1.0
374.20938	1.0
385.22482	2.9
386.20728	23.1
403.23605	1.8
421.13007	6.2
526.83539	0.8
547.25507	3.0
559.37378	1.0
565.26599	34.1
582.78204	1.3
583.27704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17380	0.2
58.06584	0.3
61.06339	0.2
75.73067	0.2
120.48260	0.2
144.08093	27.5
145.08879	1.0
147.04527	0.2
158.09631	1.3
164.36520	0.2
170.09648	100.0
171.10428	23.3
187.12335	0.4
201.13876	4.4
202.14651	13.9
259.43378	0.3
445.23544	0.5
463.24597	0.5
538.07605	0.3
583.26514	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71244	2.3
60.49240	2.4
67.05499	12.6
67.15971	2.2
69.03429	3.9
69.07066	5.7
72.08167	2.5
79.05499	15.2
81.03411	4.1
81.07062	19.8
83.08597	2.6
83.74065	2.6
85.02899	13.8
85.06561	2.7
87.00796	3.8
88.26941	2.2
91.05484	10.7
92.17851	3.5
93.07047	21.0
95.04936	4.1
95.08607	33.8
95.13477	2.2
97.02887	10.5
97.06506	4.5
99.04399	3.6
105.07033	24.0
107.08607	16.9
109.02924	3.6
109.10178	19.1
117.06992	2.8
119.08577	37.0
121.06365	2.7
121.10152	14.0
123.04423	2.9
123.08053	18.2
123.11710	3.6
127.03893	10.0
129.07030	3.3
131.08600	22.8
133.10155	18.2
135.08066	4.9
135.11707	5.4
137.09651	2.8
143.08536	15.5
145.10132	25.8
147.11716	13.4
149.09726	3.1
155.08562	9.4
157.10092	20.7
159.11682	21.1
161.09630	6.2
161.13292	4.6
163.03926	5.3
163.11150	2.4
163.14760	2.7
167.07094	4.1
167.50928	2.5
169.10110	12.8
171.11722	17.4
173.09596	2.4
173.13231	21.8
175.11172	5.4
175.14871	3.7
183.11678	18.5
184.07370	3.2
185.09601	3.0
185.13226	17.8
191.10674	3.4
197.13252	17.0
199.14897	5.1
201.16466	3.8
211.14873	5.2
213.16405	5.7
215.17906	2.9
217.12242	3.6
222.11212	2.4
225.16403	2.9
229.15820	3.5
241.19548	16.8
253.19470	9.8
269.19031	2.7
271.20673	3.3
281.19003	4.6
287.19952	3.7
299.20099	17.7
317.21115	78.7
335.18176	4.4
335.22159	100.0
345.85797	2.7
390.49567	2.7
418.98077	2.8
565.26599	3.5
579.24255	3.0
583.27045	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	583.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79264	1.0
59.85966	1.0
64.08976	1.3
70.06590	1.4
71.11005	1.3
72.08153	1.6
84.08151	1.4
92.18507	1.6
114.09170	5.9
137.05974	5.3
144.08075	23.0
144.56628	1.4
151.03905	2.6
158.09886	1.6
159.65637	1.3
163.03938	2.2
167.07030	2.6
170.09628	100.0
171.10405	21.4
176.46579	1.2
177.05441	1.7
181.04897	3.1
191.06995	7.0
201.13869	5.7
202.14594	11.6
212.11043	1.3
371.08936	1.4
372.09985	1.8
387.14331	1.5
421.13083	2.2
492.30020	1.3
515.06012	1.5
539.26093	1.3
582.92120	1.5
583.26489	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38987	0.3
55.56757	0.3
55.86666	0.2
57.47346	0.2
58.06591	0.4
84.87036	0.3
85.29593	0.3
114.09135	3.1
127.68580	0.3
137.05983	0.4
144.08089	28.9
145.08818	1.2
158.09642	0.7
159.10333	0.3
167.07069	0.7
170.09645	100.0
171.10420	22.6
187.12274	0.5
201.13846	4.2
202.14656	11.9
228.15945	0.5
236.44220	0.3
271.54276	0.3
301.18961	0.4
389.14792	0.4
430.29428	0.4
583.26526	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	583.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01863	0.6
57.03436	0.7
61.02911	1.2
69.03438	4.6
70.06573	1.2
71.04982	0.4
72.08148	0.4
73.02903	0.5
81.03397	2.3
83.05001	0.5
84.04437	0.3
84.08121	0.4
85.02437	0.5
85.02917	12.2
87.04448	1.3
88.51306	0.3
97.02898	5.3
99.04429	1.9
109.02856	2.0
121.02836	0.6
122.06001	0.3
127.03909	4.1
130.06546	3.5
131.07289	0.5
135.04431	0.3
143.07278	1.5
144.08109	2.5
145.04988	1.2
156.08034	0.4
156.87936	0.3
160.09956	0.4
163.03902	0.7
167.07210	1.6
168.08093	7.8
169.08867	2.3
170.09641	4.3
180.08107	1.4
181.08867	12.5
181.10341	0.6
182.09685	5.5
183.06786	0.7
184.11246	3.1
186.09050	0.4
194.09715	1.7
196.07658	2.6
196.11229	81.2
197.08397	2.8
198.09143	8.6
198.12746	0.5
206.09697	1.5
209.08353	1.9
210.09155	4.8
211.96130	0.4
212.10712	18.2
214.12378	0.7
216.10193	0.8
222.09149	0.7
224.10716	71.0
226.12282	0.7
227.09467	0.4
228.10237	0.5
238.08589	0.5
238.12125	0.5
240.10149	1.8
241.13409	1.8
242.11775	28.2
248.10678	0.6
254.11748	1.4
266.11713	2.7
284.12872	3.3
305.12622	0.8
326.13712	0.7
342.13373	1.5
344.14917	5.2
350.13867	0.6
360.14514	0.4
368.14981	3.3
386.15997	22.8
403.18552	2.4
404.17081	12.7
421.19736	7.6
548.21326	3.2
566.22467	6.9
572.22034	0.4
583.25012	100.0
603.07410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56200	1.9
58.79670	1.8
77.23880	1.8
81.03424	2.1
94.94251	2.0
103.05483	8.7
107.04974	3.5
112.55777	2.3
118.04182	2.6
131.04941	26.8
137.06004	43.2
148.05174	3.4
151.03914	100.0
151.05113	4.2
161.05974	2.4
163.07509	20.8
167.07039	10.1
170.09720	3.5
173.06017	4.4
175.07518	4.5
178.06189	3.5
181.05005	19.7
191.07039	93.5
203.07039	2.3
253.67680	2.2
263.09155	12.6
265.92795	3.0
307.90146	2.0
355.11923	3.1
387.14313	31.3
404.51489	2.5
495.27295	2.3
583.32410	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	583.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96775	1.0
61.02913	1.4
63.86805	0.9
64.85109	1.1
69.03415	2.3
81.03412	1.9
84.48534	1.0
85.02925	9.1
97.02895	4.3
102.05530	2.7
104.05293	1.1
127.03947	1.4
130.06496	1.9
143.11732	2.0
144.08051	1.5
146.06372	1.5
156.07874	1.1
167.07239	1.6
168.08052	6.2
169.08847	2.0
170.09692	2.6
180.07925	1.3
181.08920	8.2
182.09625	2.4
184.11292	4.0
194.09660	1.3
196.07497	1.8
196.11224	76.0
197.08246	1.2
198.09212	8.7
198.10799	1.2
206.09567	1.4
209.08379	1.0
210.09201	2.5
212.10678	16.7
222.09222	1.1
224.10707	73.4
228.10098	1.5
242.11783	27.2
266.11615	1.6
284.12833	1.8
287.74472	1.2
320.20837	1.2
342.13718	1.3
344.14801	4.2
368.14716	2.5
386.15952	20.3
403.18555	2.5
404.17047	11.2
421.19803	8.0
548.21210	4.6
561.51672	1.2
566.22052	5.4
583.24854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2177
Annotation	Rhusemialin A
Peak:m/z	Relative Intensity
54.34613	2.9
55.01890	3.6
65.03946	7.6
71.68301	3.4
72.33701	3.4
85.25942	3.1
89.74999	3.1
93.03378	8.1
103.81252	3.6
110.03657	4.1
111.04444	37.3
121.02856	26.3
125.06004	22.1
133.06473	3.7
136.92845	3.4
137.06036	4.4
151.03925	39.5
153.05464	100.0
159.08020	5.6
167.07072	4.3
185.05902	3.8
230.37901	3.5
247.09686	13.4
251.10622	5.1
253.08600	14.1
264.07855	5.7
269.11649	5.4
279.10245	5.4
297.11191	7.8
316.08746	3.8
325.10712	47.9
339.12259	41.0
351.12183	5.2
357.13254	56.0
369.13287	7.5
387.14178	14.6
508.35526	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	583.2177
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
50.92639	0.9
55.75708	1.1
64.97073	0.9
81.03419	1.9
91.05480	2.2
95.04969	2.7
105.03391	2.7
105.06995	1.1
107.04951	2.3
109.06516	4.8
111.04472	1.2
119.04912	1.7
121.06483	1.5
122.03697	1.4
123.04420	6.1
125.06007	1.1
131.04962	1.3
133.02893	1.8
133.06490	4.9
137.05988	100.0
141.92175	1.2
145.06534	2.0
146.98656	1.1
147.04425	1.8
149.05984	2.3
151.03931	16.8
153.05438	10.6
154.06306	1.4
155.07059	4.4
161.05966	7.2
165.05476	16.6
166.06256	1.7
167.07019	8.8
171.06534	1.9
175.07581	6.9
177.05475	4.8
179.07068	4.8
180.07848	9.7
181.04967	52.4
187.07556	4.6
189.09131	2.1
193.04985	7.0
195.06561	1.7
197.08124	1.7
205.08630	7.4
207.06514	8.6
208.07338	22.9
225.07602	29.9
226.08350	4.4
235.09680	1.7
241.08597	1.6
249.09097	1.4
269.08051	1.8
280.25644	1.3
297.11157	1.2
299.12778	2.6
309.11102	2.7
311.12579	1.3
323.12741	1.3
327.12091	2.2
339.12375	6.4
341.14066	2.4
353.13824	1.5
357.13440	6.1
381.13388	1.6
412.59955	1.1
535.19482	1.8
565.20679	6.0
583.21411	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.25137	0.7
63.75006	0.7
68.99789	2.1
70.06598	1.0
72.08157	4.5
85.02919	3.2
97.02899	2.0
117.10415	0.9
119.04880	1.0
121.02866	100.0
124.47743	0.8
138.33582	0.8
139.03943	1.6
151.03937	3.3
153.01791	1.1
158.73418	0.9
161.03720	0.8
163.03899	25.6
165.01825	3.9
175.03883	3.5
177.01804	3.2
177.05559	1.6
181.05081	1.0
189.01814	1.6
189.05365	1.0
191.03377	1.4
193.05002	1.4
195.02832	6.6
196.50330	0.9
201.05457	1.5
203.03474	3.3
205.01230	0.9
205.04930	8.6
207.02893	10.6
208.41951	1.0
215.03468	1.2
217.04912	9.2
219.02917	8.8
219.06590	1.0
223.05981	0.8
225.03944	1.0
227.03276	1.1
229.04958	6.0
231.02863	15.7
233.04538	1.4
235.05997	3.8
241.04982	1.2
243.02863	7.8
245.04523	1.4
245.23909	1.1
247.06038	5.9
249.03946	8.8
255.02995	1.9
255.06529	1.3
257.04306	2.0
259.05994	4.7
261.03946	21.1
265.07147	1.6
266.03928	0.9
267.04971	0.9
269.04492	1.8
271.06021	7.6
273.03973	10.1
279.05014	5.2
283.05914	1.7
285.03949	9.7
289.07062	1.5
291.05017	7.9
295.05756	7.2
297.03937	4.7
301.06961	1.2
303.04895	2.8
307.06085	4.5
309.06177	5.0
313.07025	4.3
315.04883	6.3
321.06924	1.2
325.07166	1.0
327.04999	3.6
331.08499	1.5
333.06323	1.3
337.06857	6.3
345.06277	2.0
349.07184	3.9
355.08237	1.0
357.06107	4.8
361.07153	3.8
363.07281	4.3
375.07114	4.9
379.08252	8.2
391.08044	2.1
393.08154	6.6
397.09113	3.7
403.10300	1.0
409.09222	6.5
411.09271	15.1
415.09811	1.6
427.10275	13.0
429.10333	1.0
433.09235	3.7
445.11368	14.6
451.10129	1.8
457.11197	5.8
463.10684	4.1
469.11188	5.0
475.11758	3.7
481.11362	11.1
493.11295	3.4
499.12277	5.8
511.12430	15.2
529.13409	15.3
547.14478	18.4
565.15320	4.5
583.19189	1.7
583.27740	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	582.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59685	3.2
69.03433	7.9
72.73135	3.2
74.80170	3.1
81.03435	6.7
81.07062	100.0
83.04987	3.6
83.43324	3.2
85.02920	39.9
87.00837	14.2
95.08595	5.0
97.02888	21.2
105.01858	38.3
109.02891	7.1
127.03948	33.9
133.85965	3.8
137.13272	27.2
145.04929	7.6
159.02736	3.9
165.64484	4.6
214.57141	3.2
231.04961	12.7
249.06052	14.0
383.81088	3.9
393.10062	4.3
405.53699	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	582.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45955	0.2
52.53834	0.2
58.06587	1.7
70.06575	1.8
72.07821	0.5
72.08169	8.8
83.38275	0.3
84.07687	0.3
84.08156	5.6
85.02914	0.4
89.10774	0.4
90.88541	0.3
98.09701	0.4
101.10791	0.3
110.09678	0.5
112.11246	6.5
117.03366	0.5
127.03855	0.3
128.53282	0.3
129.13913	3.3
135.04425	2.2
137.09564	0.3
145.02867	2.5
152.07057	0.5
155.11794	1.9
162.05582	0.3
163.03908	69.2
172.14442	0.4
193.05241	0.3
215.08099	0.4
219.11307	1.7
220.09698	91.1
233.09219	13.1
258.07660	2.4
275.10297	4.5
287.13895	1.0
308.19803	0.6
320.19727	4.2
329.14963	10.2
332.16055	2.0
346.17651	8.3
363.20349	3.9
364.86646	0.4
375.20337	2.1
403.23434	9.0
420.26013	13.6
564.28369	0.6
565.26172	0.4
582.29303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
53.41710	0.6
53.67307	0.6
55.01889	0.9
55.75215	0.7
57.03437	1.6
57.07088	1.2
61.02924	1.3
67.05521	1.3
69.03436	8.1
69.07065	0.9
71.05015	1.0
73.02938	1.5
79.05506	5.1
81.03416	4.8
81.07065	100.0
85.02910	36.8
87.00829	15.4
95.08610	14.9
97.02891	14.0
99.04453	5.6
101.73371	0.7
105.01873	30.9
109.02887	12.8
127.03925	30.4
133.48019	0.9
137.13274	23.3
145.04965	9.3
147.02892	1.1
159.02899	6.0
164.44180	0.7
169.04987	0.8
211.06517	0.8
213.03989	3.5
231.05000	15.0
249.06039	10.6
253.07156	0.9
357.08383	1.0
375.09344	1.1
393.10233	4.5
411.11386	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	582.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85429	0.8
55.01871	2.0
55.05507	0.8
57.03426	4.1
58.68604	0.9
61.02921	4.5
64.29580	0.9
67.05511	3.6
67.89866	0.9
69.03432	24.2
70.06604	3.4
71.04984	4.1
72.08150	1.5
73.02909	4.6
76.32107	1.0
79.05483	3.9
81.03431	15.1
81.07060	100.0
82.99103	0.9
85.02905	90.4
87.00829	39.1
93.07008	1.3
95.08598	9.9
97.02895	33.2
98.68157	0.9
98.86887	1.0
99.04438	11.2
101.02335	1.2
105.01868	74.4
107.08607	1.3
109.02877	27.1
109.10187	1.9
114.09148	2.2
115.03923	1.0
123.04429	1.0
127.03914	78.8
129.01822	3.7
137.13257	61.4
138.91086	1.1
145.04968	18.8
147.02983	1.0
159.02902	7.5
161.13306	1.2
163.03899	4.5
213.03979	6.2
231.05008	36.1
249.06041	41.5
298.24567	1.1
315.24692	0.8
316.25629	4.1
316.73416	0.9
357.08096	1.3
375.09332	2.2
385.12994	1.5
385.18448	4.1
390.03290	1.0
393.10373	12.5
411.11362	6.4
519.04053	0.9
582.27570	8.1
596.54291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70449	0.9
55.01884	1.3
55.05501	1.5
57.03449	1.9
61.02933	6.7
61.45144	1.0
69.03442	10.5
71.04977	0.9
73.02904	1.1
81.03419	4.3
81.07059	5.0
83.04974	4.6
84.42627	0.9
85.02909	87.4
87.04484	1.5
91.03947	5.1
91.05436	1.2
93.07052	13.2
95.08621	5.8
97.02890	22.7
99.04449	5.7
99.08082	5.3
107.08592	6.4
109.02882	7.7
109.06520	4.7
111.04416	2.1
111.08087	6.0
119.08594	4.3
121.06508	4.0
121.10150	5.0
123.08089	6.8
125.09628	1.5
126.12823	1.3
127.03913	24.3
133.10133	6.3
134.39067	1.0
135.08070	2.2
135.11697	25.0
137.09624	48.6
139.03824	1.1
139.07533	4.7
141.23813	1.0
145.04964	29.4
149.05971	1.6
149.13237	12.1
153.05443	4.4
153.12758	1.4
159.11684	8.1
163.06067	8.2
163.07312	1.1
163.11122	7.6
177.12735	87.5
179.10645	1.8
181.08582	19.5
187.11119	1.2
195.13811	100.0
196.49348	0.9
205.12236	10.9
223.13292	87.6
241.14328	79.8
289.09164	1.9
309.54684	1.0
325.11301	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	582.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.8
70.06587	1.4
72.08169	0.9
77.28628	0.9
82.06544	0.8
85.02908	4.4
88.68465	1.0
94.88280	0.8
97.02903	0.8
107.04956	1.5
109.02917	1.3
123.04394	1.3
135.04474	0.9
136.36072	0.8
137.06004	1.8
143.04877	1.2
145.04961	1.1
153.05458	10.4
155.07088	3.2
159.04404	1.0
163.03931	8.3
164.04210	3.1
167.07037	20.5
173.05959	1.4
175.03821	1.2
175.07535	8.3
179.06975	1.1
180.08771	1.2
186.03130	1.6
187.03839	3.4
197.00937	0.8
201.05470	38.9
203.07062	7.1
207.08138	1.9
215.06989	1.1
217.06483	1.2
219.06419	3.1
219.08273	1.8
220.09726	6.0
221.10088	2.0
231.06540	4.2
234.06818	1.4
235.07588	13.2
236.08273	1.1
247.07617	3.2
249.09114	2.1
252.07785	1.7
262.06256	1.1
263.07025	21.9
263.09586	1.3
264.07822	4.2
267.10104	10.0
269.08112	0.8
277.08646	5.3
279.07031	0.8
280.07315	7.5
288.09235	1.0
291.06598	4.1
294.08902	1.3
295.09650	21.0
296.10382	1.4
301.10580	0.8
305.08057	4.8
308.06760	3.3
312.09836	2.0
322.08270	6.4
323.09143	20.1
327.12311	8.2
337.10715	21.8
340.09451	3.8
355.11777	100.0
373.12836	68.1
373.17697	1.3
582.27167	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	582.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
66.43111	0.8
68.60768	0.8
70.06602	1.7
72.08173	1.4
75.04489	4.0
78.04728	1.2
84.08161	1.2
85.02899	4.2
89.06013	1.3
90.99332	0.9
91.05483	5.3
92.05427	0.8
93.03409	16.1
93.07058	6.9
95.04955	1.6
97.06556	1.7
103.05476	2.1
105.07040	1.6
106.04187	19.8
120.14865	0.9
121.05682	1.7
121.06516	31.8
125.05991	12.8
131.04968	1.0
134.03687	3.4
135.04456	1.0
137.05951	1.0
139.07555	1.6
145.02782	1.0
148.05209	1.0
149.05992	69.2
150.57814	0.8
151.07491	3.1
151.86873	1.0
153.05544	1.1
153.09119	17.5
163.07571	3.4
163.40599	0.9
167.07019	5.9
171.04039	0.9
177.05492	33.8
181.08615	24.0
191.07011	3.3
193.08592	0.9
209.08110	100.0
223.04169	8.7
251.09131	7.1
369.13199	1.6
373.12927	1.4
401.16006	2.0
545.00354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55813	1.0
69.03447	1.6
81.03440	1.8
85.02910	9.0
87.00807	1.3
87.38184	1.3
92.18440	1.5
97.02872	2.3
99.04471	1.5
107.04944	5.1
127.03919	5.3
131.04922	1.3
133.06496	2.6
139.83449	1.3
140.04681	2.0
145.06482	14.7
153.05479	2.3
155.07053	1.9
167.07037	100.0
173.05962	4.0
175.07556	6.4
177.05479	1.9
179.07069	2.4
180.08829	1.4
187.07628	2.7
191.06998	2.1
201.05511	14.8
203.05310	1.1
203.07021	7.8
204.04216	1.2
205.08644	1.8
207.06523	4.2
213.05460	2.5
215.03452	1.6
219.06544	7.2
231.06511	7.5
235.07581	5.4
247.07465	2.1
252.07930	1.5
263.06973	8.6
264.07751	1.4
267.10165	5.3
277.08636	1.7
280.07138	2.1
281.08115	1.1
281.11765	4.2
291.06674	1.6
295.09683	10.0
305.11420	1.3
307.09674	2.1
308.06940	1.4
313.10858	2.5
321.07507	1.8
322.08441	2.4
323.09149	8.3
335.08817	1.3
337.10706	5.4
340.09454	5.7
341.10217	1.9
355.11761	22.2
358.10583	5.0
367.11887	4.0
373.12823	36.8
385.12704	21.3
403.13861	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	581.367
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79930	1.2
58.06588	2.3
82.30745	1.3
82.68871	1.5
88.00829	1.4
144.10243	12.2
145.10588	2.1
201.98990	1.8
218.33362	1.7
243.11778	1.7
581.36633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.1
58.06328	0.7
58.06608	13.1
59.07390	8.0
60.08172	47.7
69.07065	0.9
83.04992	7.1
86.09219	0.8
86.09713	20.7
91.05435	0.6
98.13907	0.5
103.64929	0.5
112.07581	0.7
118.06522	2.0
119.07322	1.1
120.08094	5.4
123.91284	0.5
136.07597	8.0
141.10205	0.8
145.05235	2.0
146.06023	4.6
157.09732	0.5
162.05478	1.2
165.05569	0.7
168.13705	0.7
200.10750	2.0
201.11542	0.8
223.07538	0.8
224.10698	0.9
228.10201	4.3
229.13376	0.6
231.14876	1.0
236.10715	3.3
246.09258	0.6
247.14531	3.7
261.19547	0.7
265.08682	1.3
270.11230	7.3
275.13892	13.1
280.78506	0.5
282.11188	2.4
290.68253	0.5
522.25922	1.1
552.72174	0.6
563.47260	0.7
581.33344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05127	0.6
55.05518	1.5
58.06609	13.4
58.59558	0.7
59.07396	10.6
60.08174	43.2
62.22454	0.6
72.89185	0.7
75.35094	0.7
83.04989	6.2
86.09714	21.8
91.05473	1.2
108.52436	0.7
112.07674	0.8
119.07348	1.4
120.08090	4.4
136.07596	8.6
142.70102	0.7
145.05284	2.7
146.06023	4.6
162.05557	1.5
165.05383	1.3
165.78912	0.7
182.08150	1.0
186.09152	0.9
200.10742	1.4
201.11462	1.1
224.10667	1.2
228.10260	3.4
236.10767	2.9
247.14510	3.1
261.19547	0.9
265.08615	1.4
270.11288	5.5
275.13919	12.9
282.11273	3.8
315.95090	0.8
360.07346	0.7
365.53659	0.8
383.19849	1.3
522.26312	0.9
553.34534	0.7
581.33386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
57.07065	0.3
57.14087	0.2
58.06327	0.5
58.06608	13.6
59.07108	0.4
59.07390	9.9
60.08171	45.9
62.78275	0.2
66.34803	0.2
80.56248	0.3
83.04984	7.6
86.09708	20.2
91.05472	1.2
103.05489	0.3
107.04980	1.2
112.07624	0.5
114.63897	0.2
116.95292	0.2
118.06539	1.9
119.04976	0.5
119.07328	2.3
120.08095	5.0
136.07573	6.7
140.14337	0.4
141.10223	1.0
145.05208	2.4
146.06024	4.9
147.04323	0.2
157.09792	0.5
159.06816	0.4
159.14885	0.2
160.11189	0.3
162.05495	2.1
165.05453	1.4
168.13867	1.1
169.10118	1.3
174.12766	0.6
182.08179	0.6
186.09148	1.5
188.14383	0.3
197.09644	0.5
200.10712	2.3
201.11465	1.4
202.12360	0.4
204.13795	0.3
207.08145	0.3
207.14998	0.4
212.70853	0.3
223.07602	0.6
224.10744	1.7
228.10194	4.2
229.13342	0.4
231.14975	1.0
236.10713	2.9
238.12225	0.3
247.14445	3.3
257.13000	0.3
260.18771	0.3
261.19623	0.5
265.08600	1.5
270.11221	6.0
275.13889	14.9
282.11160	2.1
299.13867	0.3
321.14301	0.4
325.11996	0.3
335.17526	0.3
383.19781	1.0
392.19507	0.5
522.26208	1.3
553.34009	1.2
581.33337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07100	1.7
59.34731	1.3
61.31686	1.2
71.88734	1.3
78.75809	1.4
83.05007	2.5
85.05345	1.7
98.18804	1.3
103.45128	1.4
147.11746	1.6
149.02876	1.4
157.52766	1.4
198.25967	1.4
240.84383	1.4
326.56787	1.5
337.02505	3.5
376.50134	1.5
381.11264	1.7
425.37241	1.8
451.83163	1.3
500.89697	1.8
581.29980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
55.05508	1.8
58.03299	1.2
59.61879	1.3
64.82930	1.3
66.78019	1.1
67.05498	2.5
69.03440	11.0
69.07075	5.5
70.06589	7.1
71.05002	2.5
72.08151	6.8
81.03439	11.9
81.07037	1.6
83.49547	1.2
84.08120	1.7
85.02904	28.0
85.82967	1.3
87.00832	6.9
91.05479	2.0
93.07048	5.6
95.08618	31.2
97.02866	10.8
99.04455	7.0
105.01891	3.2
107.08637	2.0
109.02892	12.9
109.10160	3.3
111.08080	2.6
113.09662	2.0
122.09660	13.7
127.03918	20.3
133.10147	2.3
136.07666	1.7
137.45319	1.6
145.05028	5.1
145.06554	2.0
147.08047	8.1
147.11734	2.1
151.07596	1.9
157.06519	2.2
159.02882	7.5
163.03943	8.0
163.60646	1.6
164.10744	6.3
167.07135	1.7
171.08038	3.2
173.09618	10.0
177.05437	1.9
183.08099	2.4
185.09604	22.9
187.11200	2.1
187.87256	1.7
197.09625	43.9
198.10370	1.6
199.11240	5.9
203.10664	3.2
209.09517	1.5
211.11230	10.7
213.12727	2.8
215.10663	35.2
217.12234	2.9
218.08119	13.8
221.07991	3.2
223.11147	15.1
225.12762	2.9
227.14372	3.2
229.12274	2.0
231.05168	2.5
237.12769	16.5
239.14343	16.6
241.12222	16.8
241.15919	2.5
243.13913	2.4
244.13367	2.0
251.14265	10.6
253.15773	10.9
254.13017	3.1
255.13821	10.2
257.15198	1.8
259.13467	3.0
262.30170	1.5
267.17477	14.4
269.15344	6.9
269.18906	5.6
270.11261	2.5
271.16882	7.9
272.14029	15.9
275.14642	1.7
279.17435	40.1
281.19174	1.9
285.18423	12.5
287.13989	6.2
289.15552	6.9
297.18475	96.1
299.19974	2.7
303.08240	1.8
315.13849	14.3
315.19543	100.0
327.19635	5.4
333.14359	1.8
333.20645	30.8
345.20700	2.8
405.20663	1.8
477.28610	1.6
527.22937	9.8
545.23889	26.6
563.25244	7.4
581.26172	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	581.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45800	0.3
70.06584	0.7
70.94995	0.3
70.95448	0.3
71.27944	0.4
72.08137	2.3
74.04607	0.3
80.23817	0.3
85.02898	0.6
89.03889	0.5
89.10793	0.6
90.70901	0.3
91.21075	0.3
105.39626	0.3
109.02882	2.6
113.05976	0.6
115.08763	0.5
117.03383	1.4
127.03947	0.5
135.04425	3.6
139.03888	0.7
141.05479	13.9
145.02847	4.2
163.03903	100.0
169.04961	48.4
170.05775	0.7
171.06581	0.8
217.94783	0.4
233.10477	1.6
234.11258	1.8
239.03540	0.4
251.13792	0.6
253.04857	3.3
271.06039	1.3
281.04501	1.6
299.05490	2.7
313.07071	6.1
327.64520	0.4
331.08087	2.8
356.28906	0.4
387.15607	0.5
401.17218	1.4
402.15347	0.7
419.18170	11.0
564.20697	0.6
581.23450	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	581.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03560	0.2
54.95443	0.3
55.90425	0.3
72.08148	1.7
85.02889	0.7
89.03913	1.2
92.18475	0.5
100.19998	0.3
109.02856	1.2
115.08720	0.5
117.03350	1.8
121.62045	0.3
127.03893	0.4
135.04407	4.8
139.03911	0.4
141.05457	4.5
145.02847	7.5
163.03900	100.0
169.04956	14.8
170.05704	0.3
195.69101	0.3
229.04939	0.5
233.10513	0.6
234.11264	1.2
239.03383	0.6
243.06454	0.3
251.13785	0.3
253.05038	1.6
255.06534	0.4
267.02795	2.5
271.06049	1.3
281.04391	0.6
283.06219	0.4
299.05508	10.3
313.07214	1.9
331.08160	0.7
355.31076	0.3
401.16925	1.6
402.15439	0.6
419.18027	7.7
475.12244	0.3
564.20557	0.4
581.23450	42.7
604.89178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
56.77337	1.8
61.02907	2.4
70.06590	2.2
78.90879	1.8
84.05602	3.4
85.02909	8.7
97.06508	2.3
137.02350	14.9
254.11333	11.7
255.11707	4.2
298.04926	2.2
310.04691	10.5
311.05481	64.4
311.08875	3.1
323.05521	37.5
324.06226	4.3
325.07095	9.8
329.06775	4.2
332.49725	2.2
333.07547	2.4
335.05392	2.5
336.06369	3.1
337.07043	32.1
339.05212	3.1
341.06537	76.0
341.10529	3.0
345.07620	2.9
349.06937	19.1
351.08624	27.8
352.05923	2.6
353.06583	75.4
355.08221	4.0
361.07047	19.1
363.08707	3.4
365.06516	60.5
367.08209	33.4
371.07648	3.9
377.06454	29.8
379.08221	38.3
383.07767	4.7
389.06470	19.0
391.08188	7.8
395.07626	52.5
403.08420	5.8
407.07654	62.5
417.09680	4.4
419.07620	11.5
421.09097	2.3
425.08752	43.6
431.07602	9.0
433.09296	4.1
437.08319	7.8
443.09766	100.0
449.08774	3.7
461.09601	3.9
473.10675	3.8
491.11520	15.6
497.10806	18.3
515.12000	18.4
527.11877	52.9
537.21027	8.0
545.12952	79.2
563.13934	76.7
581.14594	50.8
581.22424	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	581.2021
Annotation	Kadsuphilin C
Peak:m/z	Relative Intensity
54.85380	3.3
55.01869	6.7
56.73160	3.8
61.99686	3.7
64.43327	3.3
65.03940	17.2
81.08454	4.2
93.03393	18.6
107.04936	7.7
110.03664	7.7
111.04436	18.5
121.02869	23.9
125.05997	20.9
137.05972	20.7
144.08096	4.7
151.03911	52.3
151.07494	4.1
153.05469	88.2
157.08862	5.4
167.07050	7.8
181.04936	34.7
193.20573	4.2
197.34801	3.9
208.07579	4.4
219.08025	3.8
234.06741	4.7
245.07996	7.3
249.09303	6.1
252.07805	17.5
267.10156	20.7
277.08698	8.3
293.08255	7.4
295.09689	25.3
305.08176	4.8
323.09140	63.8
324.09674	5.5
339.12344	4.9
342.47421	4.7
355.11774	100.0
367.11639	16.1
385.12811	20.0
430.50192	4.8
513.72681	4.3
524.24817	4.6
537.29791	5.0
581.26282	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54045	2.2
54.03776	2.2
55.01886	37.3
59.54716	2.9
60.78980	2.8
61.02919	3.6
64.76471	3.0
69.03429	16.7
70.06584	20.6
72.08170	32.9
73.02924	6.5
81.03404	3.6
83.62661	2.6
84.08148	16.7
85.02911	34.1
86.09701	3.3
97.02902	4.8
97.06512	3.5
98.06085	4.0
105.07034	3.4
107.04950	4.1
109.02865	5.2
112.11265	3.8
114.10281	3.5
115.08710	3.4
116.10805	2.7
120.08072	4.1
122.22588	2.9
125.01714	7.2
131.04877	3.8
137.02368	4.8
144.08047	2.9
149.06007	4.1
157.10799	3.2
161.05977	11.6
163.03926	20.5
167.07062	47.4
170.09592	4.6
173.05952	3.2
175.07611	3.8
177.05449	39.5
178.26630	3.0
181.04965	37.8
187.07550	5.8
191.06941	3.5
193.08621	12.1
209.08124	44.2
219.10301	4.2
221.08054	5.8
243.03209	3.6
265.10831	3.5
310.04718	7.2
311.05469	56.4
323.05490	51.3
325.07065	12.8
329.06616	4.1
337.07092	23.2
338.07956	3.6
339.08487	3.9
341.06558	100.0
349.06961	12.6
351.08771	5.4
353.06604	75.0
361.06662	3.2
363.08612	12.7
365.06641	47.9
367.08136	45.1
371.07690	4.8
377.06635	28.3
379.08209	15.3
381.09836	12.2
383.07559	12.4
388.13965	5.3
389.06308	3.2
389.16003	14.8
391.08215	11.2
395.07687	92.9
407.07614	21.5
409.09436	3.9
413.08694	15.7
419.07794	23.3
419.17184	14.2
421.09351	5.1
425.08670	19.0
437.08456	12.3
443.09793	6.3
449.08594	15.3
455.09332	6.6
461.10889	34.5
467.09818	5.3
473.10785	38.1
485.10968	23.0
497.10907	21.4
509.10568	11.1
515.12000	30.5
527.12347	21.5
537.20636	19.1
545.12769	49.0
552.56329	3.4
563.13940	85.3
581.14813	27.5
581.22369	64.6
593.80249	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	580.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60323	0.3
81.37556	0.3
100.07619	5.7
100.46330	0.3
117.03384	3.6
126.12794	31.4
145.02849	27.7
149.05980	0.7
154.12296	0.6
169.13402	0.5
171.14929	1.7
177.05469	100.0
224.21190	2.8
225.19577	0.6
242.22229	4.1
248.12816	1.7
295.17630	0.3
297.22827	0.7
334.96619	0.3
418.27048	2.2
580.32318	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	580.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58797	0.4
56.12264	0.4
61.82571	0.4
64.83053	0.4
68.74591	0.5
69.07091	0.6
70.06577	0.7
72.04488	0.7
72.08143	2.1
84.05630	2.0
84.08141	2.9
109.80650	0.5
114.09175	9.3
129.93752	0.5
135.96756	0.4
143.11809	16.0
145.59453	0.5
156.11328	1.0
157.09734	0.5
167.07013	0.7
170.09514	0.6
173.14034	0.8
197.14066	5.0
202.78662	0.5
223.15576	0.8
226.15524	2.7
242.14868	0.5
251.17503	0.6
253.16635	0.6
273.85397	0.4
285.21561	0.5
291.21805	2.7
309.22858	18.6
310.21240	5.7
327.23935	21.6
355.23413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12490	13.7
68.72870	20.3
72.08137	15.5
74.88308	13.3
86.70049	15.6
110.46597	17.4
160.03050	14.9
237.46819	16.4
245.04749	16.8
259.56369	16.2
263.68134	17.2
287.38336	16.3
333.90903	17.7
383.14951	81.6
443.16986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.73122	0.7
57.03453	1.3
69.03421	1.3
70.06240	1.4
70.06602	36.7
70.96014	0.8
72.08162	22.9
81.03410	1.0
84.05639	35.5
84.08133	3.6
85.02904	4.3
97.02884	1.8
97.73462	0.8
98.06059	6.1
98.44761	0.8
109.02824	0.9
112.07670	1.1
112.11220	1.1
114.10294	8.0
115.08704	12.0
120.08077	1.0
123.04465	1.2
127.03936	1.8
130.08649	2.0
140.08167	1.5
144.08087	3.3
147.04369	1.4
148.61211	0.9
157.10909	0.8
157.88623	0.8
158.63286	0.8
163.03868	8.1
193.24561	1.0
194.08121	6.8
199.08655	1.3
202.08647	9.9
202.82298	0.8
220.09749	4.6
227.08156	27.1
228.06569	24.5
232.11978	1.0
236.10312	3.6
253.06108	1.6
254.11353	100.0
269.09259	3.4
270.08572	1.7
290.44684	0.9
299.10226	1.1
311.11496	3.4
312.09793	1.9
315.17059	1.2
340.16617	14.8
341.14987	60.9
358.17764	2.0
359.16150	1.4
366.14590	1.2
383.17065	16.2
384.15442	3.7
400.19843	1.4
418.16074	27.8
562.24213	1.0
580.25891	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.73122	0.7
57.03453	1.3
69.03421	1.3
70.06240	1.4
70.06602	36.7
70.96014	0.8
72.08162	22.9
81.03410	1.0
84.05639	35.5
84.08133	3.6
85.02904	4.3
97.02884	1.8
97.73462	0.8
98.06059	6.1
98.44761	0.8
109.02824	0.9
112.07670	1.1
112.11220	1.1
114.10294	8.0
115.08704	12.0
120.08077	1.0
123.04465	1.2
127.03936	1.8
130.08649	2.0
140.08167	1.5
144.08087	3.3
147.04369	1.4
148.61211	0.9
157.10909	0.8
157.88623	0.8
158.63286	0.8
163.03868	8.1
193.24561	1.0
194.08121	6.8
199.08655	1.3
202.08647	9.9
202.82298	0.8
220.09749	4.6
227.08156	27.1
228.06569	24.5
232.11978	1.0
236.10312	3.6
253.06108	1.6
254.11353	100.0
269.09259	3.4
270.08572	1.7
290.44684	0.9
299.10226	1.1
311.11496	3.4
312.09793	1.9
315.17059	1.2
340.16617	14.8
341.14987	60.9
358.17764	2.0
359.16150	1.4
366.14590	1.2
383.17065	16.2
384.15442	3.7
400.19843	1.4
418.16074	27.8
562.24213	1.0
580.25891	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04547	0.3
58.27728	0.3
64.49623	0.3
69.03441	0.6
70.06602	3.5
72.08141	2.1
80.06467	0.3
81.03428	0.4
84.05639	33.1
85.02889	0.6
90.54934	0.3
97.02888	0.4
98.07199	0.4
101.73406	0.3
102.15974	0.3
104.59158	0.3
114.10213	0.3
121.63228	0.3
123.04396	0.4
129.10147	0.3
130.08632	0.3
135.04410	0.3
135.35309	0.3
135.75696	0.3
143.06847	0.7
147.04433	0.6
163.03879	2.3
164.89766	0.3
176.53963	0.3
177.83023	0.3
183.61237	0.3
194.08122	4.1
202.67821	0.3
208.10815	2.0
220.09766	1.2
226.11909	0.7
236.10313	2.5
240.09610	0.6
254.11359	100.0
321.68552	0.4
341.14886	0.6
400.15033	2.1
418.16092	27.9
512.51520	0.3
580.21307	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10949	0.7
58.88280	0.7
69.03436	1.2
72.08147	1.0
80.33517	0.8
80.62010	0.9
83.71737	0.7
84.05633	48.2
85.02921	2.2
85.06403	0.9
97.02914	0.9
120.92683	0.9
155.58600	0.9
194.08151	1.5
208.10907	1.6
236.10374	4.0
240.09785	2.0
254.11340	100.0
268.44708	0.9
400.15088	7.6
418.16107	49.1
580.21515	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	580.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40978	0.5
53.03967	1.0
55.01871	0.5
57.03437	2.5
61.02925	2.3
63.89330	0.5
67.05492	0.8
69.03437	10.5
71.05003	0.7
73.02911	1.2
79.05506	0.7
80.05005	0.7
81.03436	5.8
83.05002	0.7
84.05637	1.1
85.02914	20.2
87.04478	1.2
92.05019	0.8
96.08131	3.4
97.02895	7.6
99.04450	3.8
103.03955	1.3
106.06571	23.2
108.08125	44.4
109.02881	10.4
123.06815	3.1
124.07585	17.5
127.03931	11.6
134.06027	14.2
136.07584	31.4
148.07541	0.6
152.07071	71.3
154.08688	1.3
159.02953	0.6
163.03897	9.3
170.08138	15.7
187.06030	1.3
224.13983	2.7
295.21454	0.9
296.11322	0.9
313.22266	5.4
314.12424	2.8
356.13428	2.5
374.14557	3.3
382.10754	0.6
400.12314	0.6
400.70184	0.6
418.13336	3.7
434.71512	0.7
518.19031	2.6
536.19617	4.9
562.18011	2.3
580.18744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.4
58.06593	3.2
60.08175	50.3
63.15344	0.4
67.05516	0.8
69.07069	3.1
70.06579	0.9
72.08143	2.2
74.02438	0.7
77.76241	0.4
84.08145	7.3
86.09707	7.4
95.04962	3.1
97.06531	9.6
110.06049	0.5
113.10751	0.8
114.09154	3.8
114.12794	0.9
119.04879	0.5
124.07587	2.2
126.09196	0.5
130.08630	0.7
132.10194	1.1
135.06798	0.5
136.07585	1.9
141.10257	3.4
147.04420	1.0
151.03903	0.7
155.08188	2.6
160.07617	2.2
161.09601	0.5
164.27333	0.5
165.05467	2.4
171.04411	0.7
173.09634	2.3
173.16522	1.9
176.41417	0.4
177.09119	4.3
180.13799	7.0
185.09563	0.5
187.10881	0.6
189.05505	2.0
189.09097	8.4
190.12338	2.4
191.10562	0.6
197.16487	0.8
202.12308	9.8
206.08165	2.2
208.13364	3.1
219.10176	3.5
219.14896	0.8
223.14452	0.7
226.14450	2.4
231.10150	8.2
241.22772	2.0
248.12819	8.4
265.15573	2.5
275.13983	1.0
291.13748	0.5
293.14801	0.7
358.21408	1.0
420.28735	2.2
534.35217	1.1
579.37585	100.0
594.61041	0.6
605.17065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90498	2.6
52.36546	2.8
57.03433	2.8
57.07072	4.9
59.77502	2.7
65.20134	2.6
67.05511	45.7
69.07079	7.5
75.04491	3.6
79.05489	18.0
81.03345	3.0
81.07066	64.4
83.08629	5.5
91.05469	13.6
93.07051	32.1
95.08610	48.2
105.07056	13.4
107.08628	36.0
109.02868	4.1
109.10171	37.4
117.07066	5.4
118.63695	3.1
118.91174	4.2
119.08607	17.4
121.10139	35.1
123.11709	15.7
131.08574	22.0
133.10153	14.0
135.11688	40.6
145.10127	15.4
147.11682	12.2
149.13242	25.1
159.11691	14.6
161.13258	7.1
163.14807	13.4
171.40234	3.5
171.41756	4.0
173.13235	6.7
243.21147	19.3
261.22177	66.2
332.09952	3.5
335.25735	13.2
353.26849	100.0
361.13077	3.3
417.32098	3.2
561.27167	18.4
579.28265	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	579.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
57.03456	0.1
65.03930	0.1
66.17580	0.1
69.03439	0.9
70.06582	0.3
72.08135	0.2
73.02927	0.1
78.06567	0.2
79.05486	0.1
81.03417	0.5
82.04211	0.1
84.08133	0.2
85.02908	1.3
86.09710	0.2
90.47588	0.1
91.05498	0.2
95.04945	0.3
97.02897	0.9
97.06526	0.1
107.04918	0.7
115.05437	0.6
117.07027	2.1
117.73933	0.1
118.91656	0.1
123.04459	0.9
124.05214	0.2
127.03899	0.3
129.10294	0.2
131.04938	0.2
139.22261	0.1
143.05005	0.2
145.06491	5.1
147.08040	0.7
151.03857	0.2
152.04665	0.3
153.05486	0.2
155.06033	1.2
161.06004	0.3
164.23456	0.1
167.07034	100.0
171.06493	0.2
173.05977	26.9
175.07507	0.8
181.04951	24.6
190.06291	0.2
201.05452	1.0
203.07025	0.2
205.08609	6.1
207.10243	0.2
221.08131	0.2
233.08055	5.1
235.07431	0.2
235.09639	3.6
280.07138	0.2
355.11752	0.3
387.14413	4.4
417.15457	3.5
579.20758	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
54.50116	0.3
57.03423	1.8
61.02927	2.7
69.03105	0.4
69.03433	7.1
71.05009	0.5
73.02907	1.3
79.58926	0.3
81.03414	2.2
85.02909	20.2
87.04471	0.6
97.02883	3.6
99.04458	1.3
101.02316	0.7
103.03925	1.5
105.07027	0.4
109.02883	2.4
121.02861	15.0
127.03945	2.7
129.29608	0.3
135.11624	0.4
145.02837	0.6
145.04958	1.2
163.03926	1.9
199.07565	0.5
240.07823	1.5
251.02985	0.4
258.40387	0.4
266.05676	0.6
267.06500	2.7
281.08066	1.4
282.08890	9.7
282.11838	0.4
284.06827	1.7
299.09131	7.4
301.89206	0.3
348.86411	0.4
370.08392	0.5
371.09113	10.8
385.10641	2.6
386.11465	10.8
387.08691	1.9
388.09348	4.3
402.10941	1.9
413.10361	0.6
415.11441	0.4
417.13327	100.0
433.12988	0.8
459.14392	3.2
491.17059	1.8
500.71185	0.4
518.44006	0.4
579.18573	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	6.7
85.02911	5.8
92.57912	1.2
97.02929	1.1
101.99012	0.9
103.27904	0.9
121.02865	4.7
137.05984	4.5
144.08150	1.8
145.06464	6.4
151.03880	1.4
151.07626	1.1
167.07034	100.0
170.09605	7.1
171.10420	1.8
173.05971	26.1
181.04964	21.6
201.05453	1.0
205.08699	5.4
233.08073	5.5
235.09756	2.1
283.06042	3.8
294.05231	6.4
295.05997	23.2
307.06079	20.8
307.09589	1.7
308.06842	1.7
309.07642	5.6
313.07068	1.4
319.06210	1.8
321.07675	9.0
322.08365	2.1
323.05698	1.7
323.09158	2.3
325.07080	56.7
333.07568	1.2
335.05386	1.3
335.09143	2.4
337.07050	33.4
337.10663	1.9
338.47476	0.9
346.92896	1.1
347.09192	5.8
349.07080	17.3
351.08658	14.1
355.08157	4.9
361.07101	7.0
363.08752	1.4
365.06558	2.0
365.10272	10.7
367.07996	3.7
375.08582	12.9
379.08203	21.3
385.07214	5.9
387.08807	1.7
387.14560	4.2
391.08054	7.0
393.09750	15.4
403.08026	13.6
405.09769	5.4
409.09207	4.9
411.10703	3.9
417.09927	14.1
417.15527	4.5
419.11404	1.4
421.09061	6.3
429.11288	1.4
433.13242	1.2
439.10141	6.2
441.11841	4.2
447.10806	2.3
457.11273	23.9
459.12915	13.8
465.11646	3.7
471.10855	3.7
483.12585	10.3
489.12097	1.2
495.12677	8.8
507.12650	3.6
513.13824	14.9
525.13898	8.8
543.15088	18.1
561.16034	32.1
570.09479	1.1
579.21075	51.7
579.29138	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	579.1717
Annotation	Swertisin 2''-O-xyloside
Peak:m/z	Relative Intensity
52.46719	3.6
67.44926	3.1
69.03451	32.6
81.53824	3.2
84.66378	3.3
85.02899	5.2
105.95415	3.9
116.36581	3.7
121.02850	7.2
127.51198	3.2
144.08148	5.5
145.06551	4.8
151.03987	14.6
165.05537	5.2
167.07030	88.6
170.09671	31.4
171.10539	4.5
173.06020	25.1
181.05016	20.1
277.64398	3.6
283.06018	4.2
294.05197	14.0
294.35474	3.9
295.06094	42.0
307.06055	50.8
308.06851	5.4
309.07748	8.5
313.07117	4.3
321.07654	17.8
325.07141	48.1
333.07669	7.6
335.09415	13.7
337.07104	100.0
337.10831	6.1
339.08630	6.7
343.09695	6.7
347.09171	6.2
349.07233	26.6
351.08600	35.7
355.08353	13.0
359.09378	13.7
361.06992	5.3
363.08749	20.3
375.08673	41.0
377.10403	18.3
379.08136	58.0
387.08804	30.3
389.10159	4.4
391.08398	6.4
393.09735	6.0
393.68323	3.8
403.08261	5.0
405.09760	54.2
413.10635	4.8
417.09915	5.8
421.09427	5.3
423.10718	35.9
429.09802	5.7
441.12042	59.1
457.11450	8.2
459.11365	4.4
475.12515	22.5
481.11597	16.6
499.12219	25.1
507.13498	4.6
525.13922	71.0
543.15045	87.9
561.15839	64.7
579.17450	46.4
587.16241	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	579.1684
Annotation	6,8-Di-C-rhamnopyranosylluteolin
Peak:m/z	Relative Intensity
68.98147	0.6
70.06570	0.7
82.03967	0.8
83.01099	1.0
84.01865	0.9
84.08142	0.8
84.34715	0.7
84.51540	0.6
85.02837	0.7
95.01087	5.8
95.06086	4.9
96.01875	1.1
107.04998	0.9
112.01316	1.6
113.02132	4.4
141.05130	0.8
161.06097	1.0
164.93996	0.6
167.03145	0.9
167.07019	5.9
173.06000	1.1
185.04218	11.5
185.05659	1.5
193.08643	1.5
201.03748	1.0
203.05432	1.1
220.03450	3.1
229.87778	0.8
247.09076	0.7
278.74496	0.7
365.12061	2.8
380.84015	0.8
381.05389	0.7
381.11398	1.3
480.90201	0.8
557.24396	3.4
579.16797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.169
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08150	1.9
77.94896	0.5
91.20245	0.5
98.71767	0.5
101.36044	0.5
115.08703	0.6
144.08101	2.0
167.07043	4.4
173.05884	1.9
175.03633	6.1
180.57379	0.5
181.04944	1.0
185.04240	0.6
202.20001	0.4
219.06279	2.7
220.03433	3.1
221.93967	0.5
229.66057	0.7
351.10519	9.0
365.12115	9.0
383.08057	1.2
417.11523	6.5
455.68402	0.6
579.16779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52485	0.4
58.06606	0.8
68.05023	5.0
70.06598	1.1
71.56991	0.5
84.08137	6.1
84.20712	0.6
86.06070	81.2
86.09707	0.8
90.57477	0.6
91.05482	2.5
95.04942	0.6
97.07657	0.9
103.05464	0.8
112.07600	1.3
114.05538	4.1
120.08102	74.3
129.10110	0.6
130.06532	0.8
131.08165	3.7
134.06015	5.9
136.07578	5.6
139.08659	1.0
140.07118	0.8
141.06538	0.6
142.05026	0.9
146.06007	1.0
146.09569	0.9
154.09712	0.6
154.12303	4.0
155.08095	0.7
157.04677	0.5
157.09714	23.4
162.09108	0.8
163.18295	0.6
167.08208	4.0
168.08942	5.5
175.08595	0.8
181.13423	2.7
183.10036	1.5
184.10861	1.0
185.09204	7.2
190.12207	0.8
197.12868	6.2
199.14420	3.3
201.23805	0.6
202.12267	12.6
207.11346	1.3
212.10623	1.0
219.15010	0.8
224.10303	0.7
225.12318	11.9
228.13795	3.0
229.13390	0.6
231.14990	1.4
232.87233	0.7
238.12399	1.1
241.10535	0.9
247.14406	1.3
250.15640	3.5
252.17062	10.8
259.14447	1.0
275.13928	0.6
278.15057	4.3
283.14499	2.7
296.16055	20.4
349.19162	1.1
366.21841	0.8
394.21307	2.7
414.20355	1.3
415.23685	0.7
431.22937	3.0
443.23010	1.3
507.25775	2.4
533.27545	2.6
561.27252	4.3
578.29755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34084	0.5
51.47816	0.4
53.60037	0.5
56.75909	0.5
69.03440	1.1
72.08149	0.7
73.02905	0.6
81.03437	1.0
84.05635	45.6
85.02910	3.5
97.02896	0.5
106.15871	0.6
109.02856	0.7
148.07590	0.8
176.12648	0.5
194.08101	2.2
236.10277	1.3
254.11353	37.5
296.12381	7.3
326.13467	5.1
338.13110	0.6
356.14532	15.9
380.14578	5.0
398.15665	14.6
416.16635	47.9
433.34689	0.5
468.56012	0.6
578.21918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67123	0.6
52.34593	0.6
58.06575	0.9
64.14326	0.7
65.48344	0.6
65.50044	0.6
68.05018	3.8
70.06612	1.3
72.59217	0.7
84.08156	5.8
86.06073	73.2
91.05469	1.4
95.04906	0.8
97.07619	0.7
103.05512	1.0
105.40241	0.6
112.07605	1.5
112.93233	0.7
114.05518	3.7
120.08108	63.3
130.06462	1.1
131.08195	5.8
134.06006	5.2
136.07594	5.6
140.07103	1.1
141.06654	0.8
142.04884	0.7
146.05986	1.4
150.13506	0.6
154.12303	3.0
157.09734	18.1
162.09047	0.8
164.15826	0.7
167.08163	2.7
168.08981	4.1
175.08682	1.2
181.13391	1.6
183.09988	1.0
184.10814	1.4
185.09250	7.7
186.09236	0.8
190.12288	1.1
197.12877	5.5
199.14406	2.8
202.12276	12.2
207.11403	1.5
211.10838	0.8
214.12292	0.8
224.10413	1.0
225.12318	11.6
228.13922	3.9
231.14984	1.1
238.12230	1.2
242.11455	1.0
250.15616	1.5
252.17055	7.7
259.14511	1.1
278.15021	3.1
283.14484	3.2
296.16037	16.3
305.05844	0.7
321.77362	0.8
349.19058	1.5
366.21585	1.4
394.21216	3.0
426.76117	0.7
431.23047	3.6
443.23013	1.2
507.25958	4.3
533.27722	2.7
561.27203	3.2
577.92499	0.8
578.29749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3602
Annotation	Phe Val Arg Arg
Peak:m/z	Relative Intensity
52.25241	0.3
52.57710	0.3
56.05063	0.4
58.06616	3.4
59.07370	0.6
60.08172	48.9
69.07072	1.8
71.08641	0.6
72.08140	2.2
84.08140	3.4
86.09711	38.6
89.59190	0.4
95.04945	0.9
97.06535	11.0
107.04982	0.5
112.07630	0.7
114.09171	4.2
114.10301	0.5
114.12828	0.6
123.04468	0.7
124.07610	0.8
126.09167	0.5
134.06052	0.9
136.07481	0.6
138.09149	0.6
141.10255	0.8
147.04451	0.5
149.09625	0.8
152.10706	0.8
154.08661	0.5
154.15894	0.7
155.08130	0.6
160.07489	0.7
161.09596	0.9
169.09697	1.0
170.09671	0.5
173.16542	1.0
176.32637	0.5
178.05052	0.5
180.13818	5.5
182.15472	0.8
183.59224	0.5
188.10773	0.7
189.09128	2.4
189.12392	0.9
190.12254	2.1
200.10760	2.6
202.12270	5.6
206.11769	1.9
208.13336	3.6
223.14423	1.0
228.10207	0.5
230.11813	0.8
233.05637	2.0
246.11272	0.8
248.13495	0.5
302.17773	0.5
315.20593	1.0
319.20148	0.6
340.99420	0.4
343.20139	0.5
345.18176	0.8
361.24884	3.4
472.75592	0.5
518.28638	1.8
549.36139	0.8
577.36005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	3.2
59.07368	0.6
60.08170	47.3
65.54914	0.5
69.07053	2.3
70.06596	0.8
72.08136	1.4
84.08148	2.5
84.10283	0.5
86.09707	36.8
95.04959	0.8
97.06522	8.9
105.07057	0.6
112.07590	0.8
114.09172	6.2
114.12811	0.6
121.10160	0.6
124.07613	0.9
134.06003	1.2
136.07562	0.6
142.81190	0.5
147.04445	0.7
152.10759	0.9
154.15909	0.5
155.08284	1.6
161.09659	1.1
170.09680	2.8
171.10057	0.8
173.16605	0.8
180.13855	3.4
182.15440	0.7
186.09056	1.1
188.10735	1.2
189.09090	0.7
190.12234	2.0
197.16463	1.1
200.10774	0.8
202.12262	6.5
203.62273	0.6
206.11740	1.3
208.13287	4.0
223.14360	0.8
230.11501	0.7
233.05571	2.1
245.12820	0.7
315.20847	0.6
345.18179	0.6
355.63547	0.6
361.24838	3.3
518.28516	2.6
549.36432	0.7
577.35999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3598
Annotation	Phe Val Arg Arg
Peak:m/z	Relative Intensity
58.06611	3.2
58.61531	0.4
59.07385	0.8
59.92339	0.4
60.08171	50.1
62.11879	0.4
63.36273	0.4
63.53400	0.4
69.07063	2.6
72.08162	0.5
77.64433	0.4
84.08135	3.0
86.09708	37.9
92.50918	0.4
97.06531	8.6
106.67602	0.4
112.07608	1.0
114.09164	4.0
114.12790	0.7
124.07574	0.5
126.09140	0.9
134.06036	2.0
139.03609	0.5
146.94896	0.5
149.09605	0.5
152.14391	0.5
154.15916	1.7
155.08206	0.8
161.09625	0.5
169.09743	0.5
173.16446	0.9
180.13837	5.9
182.15355	0.7
188.10704	1.8
189.09169	1.7
190.12309	1.0
197.16516	0.6
200.10695	2.1
202.12297	4.4
206.11871	0.7
208.13345	2.9
223.14377	2.2
230.11743	0.6
233.05597	2.5
244.09590	0.6
246.11276	0.9
302.17474	0.6
315.20755	0.7
361.24753	3.1
396.02902	0.5
406.11169	0.5
433.11581	0.5
518.28546	1.0
549.36609	1.0
577.16577	2.6
577.35974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51447	6.7
55.05515	12.7
57.07070	8.3
61.05518	7.8
67.05511	26.8
69.03419	28.3
69.07057	45.2
69.09202	6.3
69.52379	6.9
80.05244	6.2
81.03423	11.9
81.07069	100.0
82.21830	6.6
83.08607	36.7
85.02899	88.7
85.06522	7.4
87.00812	32.5
93.07026	28.2
95.08616	91.6
97.02865	14.3
97.10161	34.1
105.01850	11.0
105.07047	12.3
107.08632	16.0
109.02872	17.4
109.10181	71.2
111.11712	14.8
114.74873	6.6
115.03841	7.2
123.11704	40.9
127.03897	43.1
135.11682	12.0
137.13290	26.9
149.13232	29.0
151.14796	8.7
152.70097	7.4
159.02957	7.4
163.14835	15.5
165.09088	7.9
165.16371	10.2
241.13310	15.7
259.14502	33.2
267.26602	8.0
285.12170	72.3
293.28336	43.1
297.50113	7.8
311.29419	48.2
365.29117	7.2
382.21249	44.5
408.19150	36.6
472.32263	8.1
505.31735	8.4
559.25500	12.3
577.26654	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.303
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17147	0.3
70.06513	0.4
72.08099	1.8
77.53879	0.3
81.07018	0.5
83.56356	0.3
84.08085	0.4
86.09674	0.5
93.07010	0.4
95.04947	0.4
95.08533	0.4
105.06966	0.6
107.08525	0.5
109.10090	0.6
124.07597	2.5
129.08318	0.4
133.10104	0.5
138.09067	1.6
147.11667	0.5
155.49004	0.4
163.03821	0.8
164.10652	0.5
166.08546	0.6
170.09543	0.5
200.88197	0.4
212.45116	0.4
227.11667	0.6
245.12886	0.5
269.20673	0.3
271.10727	10.7
299.10190	0.7
300.11224	0.5
301.12009	0.6
322.19061	0.7
331.51666	0.3
347.17661	0.5
348.16992	0.6
350.18503	0.7
354.14529	0.5
364.12952	1.0
364.20160	9.4
365.18668	2.2
366.18317	0.4
378.21942	1.2
379.15247	1.7
380.19763	4.7
382.17221	0.5
382.21304	8.4
391.16531	4.2
392.16138	0.4
393.16852	0.6
394.21085	0.7
407.18408	1.8
408.19180	100.0
410.19635	0.5
412.18115	0.4
420.19061	1.7
423.21042	0.4
438.20218	6.6
440.18286	1.5
468.00446	0.4
487.27228	0.7
491.17148	0.4
547.29163	15.0
559.25421	1.3
577.30316	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2869
Annotation	Atractyloside I
Peak:m/z	Relative Intensity
61.78468	0.9
66.84031	0.9
70.06604	4.4
72.08161	25.6
72.08540	1.6
86.07193	1.3
97.07674	6.2
100.08753	1.5
105.63070	0.9
113.33494	1.0
114.09174	2.5
114.10296	25.2
115.08735	1.8
123.04488	1.7
163.04001	1.8
167.06996	8.2
170.09673	1.1
175.74355	1.0
191.07034	8.5
192.07802	8.6
222.73187	1.0
235.07552	1.1
249.09161	1.9
253.08807	4.6
263.07178	6.6
267.10367	2.4
277.08759	6.2
281.08081	10.8
295.09604	16.6
309.11374	1.4
310.21054	1.1
310.77307	1.1
311.05713	2.5
313.10712	25.5
323.09192	12.5
327.12207	9.7
329.06479	7.5
340.09628	5.5
355.11792	11.3
425.21216	1.5
426.19547	4.0
445.88678	1.1
468.21143	1.3
476.67902	1.1
485.24271	4.9
486.84451	1.3
545.26434	2.5
577.29169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23555	0.6
57.67447	0.6
59.57190	0.6
72.08154	0.7
73.25211	0.6
84.04494	0.8
88.11271	2.8
105.07117	0.8
137.06007	1.1
151.03914	100.0
151.04962	4.3
153.13901	1.0
161.05959	1.2
167.05621	1.2
167.07042	35.5
171.14902	5.9
193.08583	0.9
199.14436	14.5
211.09753	1.5
291.09946	0.6
361.12741	4.9
379.13943	3.8
446.13843	0.6
559.26025	1.1
577.19751	0.7
577.27686	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	577.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.3
69.72717	0.3
70.06555	0.2
71.08615	0.3
84.04492	1.2
88.11277	2.8
95.04919	0.3
98.06023	1.0
101.55010	0.2
105.07078	0.3
107.04973	0.3
108.02064	0.3
111.38129	0.2
130.05019	0.3
133.06520	0.4
141.05482	1.0
142.81799	0.2
149.05994	0.3
151.03909	100.0
153.13852	1.7
154.12193	0.3
160.07463	0.3
161.05957	1.1
167.07033	33.8
170.09630	0.3
171.14931	5.1
174.46886	0.2
174.66112	0.3
193.08617	2.8
199.14417	12.5
200.12933	0.4
211.09634	2.2
361.12842	4.7
379.13873	3.9
431.11554	0.2
432.11917	1.0
544.26263	0.3
559.26532	1.2
577.27740	11.6
577.42194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.4
58.06587	0.2
65.12248	0.2
69.76893	0.2
70.06600	2.1
72.08159	1.6
84.08132	0.9
85.02914	0.2
85.08927	2.7
86.09698	0.5
92.18340	0.3
98.06059	0.2
100.11263	100.0
119.36060	0.2
147.04468	1.1
187.12590	0.2
206.11659	0.2
215.14157	0.2
291.17044	8.0
295.05997	1.4
307.06238	0.5
325.06985	1.8
337.07254	0.8
349.07135	1.1
351.08658	0.4
365.10220	0.2
379.08334	1.0
415.22415	4.5
457.10968	1.5
499.12827	0.4
511.12476	0.3
529.13293	0.3
559.14575	1.1
561.93744	0.2
577.27899	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	577.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60061	0.7
55.05512	0.7
67.05504	1.0
69.07076	1.7
73.00783	0.7
81.07050	5.9
83.08620	1.8
85.02911	3.5
87.00850	1.1
91.23389	0.9
95.08603	8.2
97.10149	1.1
99.04487	1.4
103.02948	0.8
105.01878	0.9
109.02856	0.9
109.10168	5.1
111.11720	1.0
118.60859	0.7
121.10184	1.0
123.11716	3.2
124.07594	8.1
127.03960	1.5
136.03903	1.3
137.13248	1.2
145.04964	0.9
147.11636	0.9
149.13338	1.6
151.14809	1.0
163.03809	1.1
178.04950	1.1
213.13849	1.6
240.12555	10.5
241.13359	22.0
242.11949	1.0
245.09178	0.8
258.13757	8.6
259.14401	14.8
271.10919	1.1
279.17758	0.9
284.11563	11.5
285.12347	100.0
286.12735	1.1
293.28464	3.9
311.29367	3.7
364.20209	9.7
382.21295	10.7
408.19229	37.2
436.18646	1.3
454.19583	4.3
559.25592	11.8
570.40851	1.0
577.26483	92.1
600.74097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48635	1.9
57.07084	70.6
57.08864	1.8
87.04476	13.4
89.05505	4.0
89.06036	100.0
93.07045	5.2
114.17326	2.8
119.04920	2.4
121.06507	37.1
133.08615	32.9
135.08087	2.8
135.11734	2.8
147.08051	22.2
159.11563	3.1
165.09125	11.5
177.11220	9.7
177.12674	4.0
233.19040	30.0
277.21643	14.7
295.26221	2.4
321.24283	3.3
431.69995	2.6
447.26102	16.9
559.38483	75.8
576.41119	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44490	0.8
71.02931	1.0
92.17756	1.8
108.14982	1.1
114.09198	1.2
119.26230	1.2
126.69794	1.0
129.07932	1.1
361.10608	1.6
377.09842	1.9
379.11252	1.3
380.12213	2.3
392.12201	4.4
395.11136	4.3
410.13382	6.5
577.20453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2258
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
59.18557	0.3
61.16083	0.3
66.70580	0.3
84.14918	0.3
92.18443	0.5
106.15057	0.4
153.57343	0.4
190.06030	2.0
217.08388	0.6
247.09399	9.4
262.35693	0.4
273.48468	0.4
281.03198	0.4
313.82385	0.4
415.17276	11.9
491.14072	0.4
577.22565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	3.0
68.42156	1.4
81.03431	2.6
83.08635	3.3
92.44938	1.7
95.04970	9.6
97.10178	1.9
109.10192	3.3
109.78411	1.7
121.10061	1.8
140.41444	1.6
145.02869	2.0
147.65562	1.9
149.09650	3.0
150.43233	1.8
163.03914	17.3
163.11081	2.4
163.64439	1.6
177.05579	1.8
206.05768	2.1
207.06529	100.0
207.08499	3.4
246.91429	1.7
259.06030	1.5
275.20093	2.9
293.21146	7.6
517.28003	71.7
561.67908	1.9
576.35406	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93993	6.7
76.94321	7.2
99.04434	7.4
283.13226	7.4
301.14462	7.5
309.14465	8.1
372.58395	7.2
389.72391	8.3
413.37845	7.6
517.27991	70.5
576.35291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85256	1.0
54.79878	1.0
59.05008	100.0
67.27103	0.9
67.59122	1.0
71.05005	1.2
73.02911	4.0
73.04765	2.6
73.79286	1.1
78.80677	1.2
83.12117	1.0
84.35239	1.2
86.82314	1.0
89.06020	2.1
91.05807	2.2
101.67455	1.0
103.07586	53.4
111.61323	1.1
120.52404	1.2
143.82077	1.3
147.04663	1.6
147.10161	12.5
163.06032	2.3
167.05515	1.7
181.07133	7.2
207.08633	6.2
221.08461	6.1
239.09476	18.0
251.11343	7.0
263.11371	1.4
286.20392	1.0
295.13950	1.8
391.98431	1.0
469.26437	6.0
576.34119	58.3
576.43201	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	576.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26727	0.8
53.63806	0.8
55.98932	0.8
56.95725	0.9
61.43223	0.9
66.61332	0.8
66.77764	0.9
67.86250	0.9
70.06580	1.1
72.08144	1.4
83.81998	0.8
90.22446	0.8
121.06519	4.1
151.11693	1.0
158.41460	1.0
161.05977	1.5
167.07112	1.4
173.44156	1.1
191.07042	1.4
201.05481	2.0
233.08086	1.9
249.09071	1.5
261.09274	1.2
263.09268	4.8
264.11105	1.0
273.08865	1.4
274.09933	1.4
275.10724	1.7
277.08691	2.3
289.08981	1.2
289.12363	1.4
290.09445	1.2
291.10211	5.7
292.10938	2.3
293.11569	1.7
295.09656	5.7
302.09464	1.6
303.10144	2.1
305.08319	1.8
305.11871	4.8
306.08948	1.6
307.09967	2.5
307.13458	1.6
317.11670	2.4
319.09576	2.4
320.10574	5.0
321.11221	3.7
323.09094	1.9
333.11139	1.7
335.12851	6.6
337.10941	2.3
338.11624	5.3
349.14508	1.4
351.12399	3.9
352.13312	1.7
363.12292	1.7
364.13199	5.9
365.10049	1.5
367.11844	4.4
377.10248	1.7
379.11688	7.3
381.13477	1.4
387.73062	1.1
391.11588	1.7
395.11252	11.9
397.12973	6.1
398.13687	6.5
409.12762	11.6
410.13730	10.8
411.14600	5.7
487.15918	1.8
499.16119	4.1
511.58963	1.2
517.17065	44.3
576.24469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90924	2.7
52.22977	3.0
58.06607	3.4
60.08176	47.1
67.63664	2.9
70.61324	3.0
84.68748	3.0
86.09708	16.8
97.06525	6.4
155.69153	3.1
172.18607	3.5
202.12373	6.6
205.96521	3.4
208.13280	5.0
233.11960	3.4
262.14389	16.0
276.66769	3.6
575.38062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70913	0.6
56.16315	0.6
56.43772	0.6
60.05617	0.6
60.54944	0.6
68.64344	0.7
70.06605	8.6
72.08154	12.8
72.16579	0.8
73.06402	1.0
75.68518	0.8
84.04501	0.7
84.08127	1.1
85.81481	0.7
86.06099	1.0
86.09718	0.9
87.07971	1.2
92.17905	0.9
97.07613	1.0
98.06022	1.3
100.08726	3.1
100.84171	0.7
104.07112	1.1
114.10300	25.2
114.52748	0.7
115.03006	0.7
115.08668	5.4
117.67582	0.7
123.04428	1.0
131.12917	1.3
145.63536	0.8
152.07091	5.4
157.10829	3.4
163.03935	6.1
165.05479	1.0
166.08615	6.1
172.13240	1.1
177.04131	1.4
177.05495	1.0
192.06569	46.2
216.06548	3.1
220.09680	1.1
222.11256	4.1
265.15482	1.0
284.05478	1.2
298.10641	4.1
305.16052	1.3
307.17661	1.1
314.10373	3.8
323.19446	3.6
324.20364	8.8
338.10034	1.1
364.08102	4.3
369.14453	1.8
404.09964	2.4
411.16730	1.9
412.17392	3.2
428.19528	1.0
444.22568	0.8
576.22809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54481	0.7
70.06596	3.1
72.08163	3.6
75.53388	0.7
81.07082	1.9
83.47368	0.8
85.02908	1.1
85.06538	1.4
96.62872	0.9
99.04485	1.3
109.10205	1.4
114.09127	1.3
119.08619	1.0
123.31348	0.9
127.03930	1.0
135.11716	1.4
149.13181	0.9
153.88759	0.8
163.03917	5.4
164.07114	1.0
164.10687	1.9
211.17017	1.7
221.08080	1.3
229.08368	1.0
245.09163	1.2
263.80258	0.9
271.10760	28.6
271.13547	1.5
362.12921	1.1
365.18542	1.0
379.15439	6.0
380.19818	1.4
391.16565	19.0
407.18411	4.4
408.19196	80.5
421.94861	1.0
438.20511	3.4
528.25031	5.8
545.27673	22.7
575.28778	100.0
575.60059	1.3
575.75214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06594	2.0
71.25063	0.9
72.08165	1.6
80.94011	0.9
84.08123	1.7
98.81519	1.1
101.28879	0.9
109.96561	0.9
131.68665	1.0
163.03896	5.0
168.06516	1.2
187.43480	0.9
253.37463	1.0
271.10724	15.6
312.58389	1.0
315.13416	8.1
364.12921	5.6
364.20322	1.3
379.15350	2.3
380.19601	1.5
391.16656	5.2
407.18414	7.6
408.19186	91.4
438.20251	89.7
470.73126	1.0
545.27716	3.8
575.28699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25145	0.3
61.23080	0.3
69.07067	0.3
88.30251	0.3
90.10239	0.3
122.06019	0.4
122.78227	0.4
138.09152	0.7
140.07048	1.9
148.07559	2.6
168.06567	4.1
225.10197	0.5
227.11871	0.5
242.85211	0.3
243.11424	0.7
255.11255	7.1
269.12897	2.1
271.10699	0.4
287.13913	2.3
295.15488	0.3
297.12329	6.4
299.14029	0.6
315.13382	100.0
316.14203	3.9
408.18939	0.7
438.19644	0.3
575.28595	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09666	0.9
76.27203	1.1
92.18420	1.2
101.19182	1.0
136.14204	1.0
255.11415	1.3
271.10757	35.5
297.12317	1.5
315.09741	1.7
315.13364	30.1
336.99814	1.2
364.12665	2.4
364.20404	1.3
372.46829	1.2
379.15332	7.5
380.19843	1.5
391.16455	10.6
407.18634	2.5
408.19171	100.0
438.20166	22.1
545.27448	2.1
575.28662	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75166	0.3
66.27095	0.3
69.03427	0.6
70.06593	0.5
72.08140	2.1
76.43900	0.3
81.03417	0.5
85.02908	6.6
87.10038	0.4
89.03925	0.4
89.10800	0.4
97.02903	2.5
113.06631	0.3
117.03368	0.7
127.03908	1.9
129.10287	0.3
135.04446	3.2
145.02881	5.1
145.04951	1.5
163.03908	100.0
224.81422	0.3
234.11253	2.2
251.14012	1.1
274.69257	0.3
325.09406	0.5
413.19156	9.0
436.34406	0.4
575.24548	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07011	0.3
74.02713	0.2
98.80720	0.2
120.84110	0.2
122.05927	0.4
124.97155	0.2
137.17523	0.2
138.09160	0.3
140.07106	1.5
143.51515	0.2
148.07599	1.6
163.03864	0.2
164.60461	0.3
168.06544	3.0
225.10132	0.3
226.08588	0.3
227.08144	0.3
227.11803	0.5
243.11250	0.8
255.11273	5.8
269.12820	1.6
285.12238	0.8
287.13882	1.2
291.66113	0.3
297.12369	6.1
299.13870	0.9
315.13403	100.0
316.14185	3.9
575.28748	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	575.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57365	0.3
57.03440	0.4
61.02926	0.7
69.03416	2.4
69.29449	0.4
69.52194	0.4
72.08169	3.5
81.03414	2.0
85.02911	24.6
87.04439	0.4
89.03909	0.8
89.10779	1.8
91.03951	1.5
97.02895	6.2
98.06074	0.4
99.04431	1.7
109.02857	2.5
117.03384	0.7
118.80322	0.4
127.03911	7.7
135.04398	3.6
145.02873	4.9
145.04970	6.0
163.03900	100.0
204.41254	0.4
234.11284	3.1
251.11302	0.7
251.13870	5.7
251.47572	0.4
255.82831	0.4
263.81433	0.4
413.19394	2.5
470.34775	0.6
491.20267	0.5
507.73572	0.4
575.24512	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
57.74593	0.2
61.02925	0.4
63.43353	0.2
63.66001	0.2
69.03446	1.4
70.06577	1.0
71.80908	0.2
72.08162	3.3
72.26972	0.2
73.74277	0.2
81.03425	1.1
85.02908	10.4
86.09684	0.3
89.03893	0.4
89.10778	1.6
91.03945	0.3
97.02905	2.7
98.06023	0.3
98.27834	0.2
99.04443	0.4
102.05612	0.3
109.02854	1.2
114.09175	0.2
115.08664	0.8
117.03370	0.5
121.11436	0.2
127.03931	2.8
129.10225	0.8
132.12968	0.2
135.04419	1.7
136.06157	0.4
144.28612	0.2
145.02869	4.1
145.04936	2.1
163.03900	100.0
167.76036	0.2
176.36391	0.2
234.11267	2.6
251.13953	1.6
254.11369	0.3
281.10196	0.2
296.07632	0.2
307.08090	1.1
396.16281	0.2
413.19186	11.5
413.52853	0.3
491.20355	0.2
575.24457	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	574.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	3.0
64.73999	1.2
73.91185	1.3
77.29218	1.2
79.14018	1.4
86.09708	27.7
125.00005	13.5
131.69368	1.3
132.34436	1.3
177.80037	1.5
184.07341	100.0
555.75708	1.3
574.38812	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	575.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75025	0.6
60.08141	0.9
64.02950	0.6
72.08154	1.0
84.12489	0.6
100.78933	0.7
161.33824	0.7
163.03862	1.4
164.67574	0.7
170.09573	0.9
190.06012	3.8
222.11284	2.4
245.07843	9.8
248.84694	0.8
250.97836	0.8
364.63342	0.6
413.15582	5.4
575.20892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80948	0.3
58.82838	0.3
67.39817	0.3
72.08170	0.4
77.83322	0.3
82.95488	0.4
85.56040	0.3
93.42821	0.3
97.28455	0.3
185.04276	0.6
214.56575	0.3
344.96317	0.3
379.11627	0.5
382.14066	0.6
383.14575	0.8
394.13803	1.5
397.12628	2.2
412.15070	2.8
413.15601	4.5
453.78183	0.4
575.21002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.3
63.33794	0.2
69.03436	1.7
70.06593	0.3
72.08154	2.9
81.03396	1.0
82.64021	0.2
85.02417	0.4
85.02903	8.7
89.03907	0.3
89.10787	1.7
91.03909	0.4
92.17768	0.4
97.02900	3.3
98.06059	0.4
99.04469	0.3
109.02875	1.4
114.10236	0.2
115.06999	0.2
115.08666	0.9
117.03332	0.3
127.03099	0.3
127.03888	2.6
135.04393	1.8
145.02834	2.9
145.04903	1.6
163.03891	100.0
196.22958	0.3
234.11246	2.6
236.12878	0.2
251.13849	1.8
264.57224	0.2
307.08124	0.5
315.56143	0.2
396.16702	0.3
413.19171	11.9
530.36121	0.2
575.24451	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04820	0.8
60.05628	1.5
60.49190	0.7
69.03440	1.6
70.06596	5.0
72.08163	17.0
73.06532	0.9
73.14005	0.8
84.79632	1.0
85.02916	1.6
95.19663	0.8
97.02909	1.7
97.07695	2.1
98.06054	1.7
114.10283	19.2
115.08726	1.3
131.12944	4.4
142.41132	0.9
142.88760	1.0
157.10875	5.8
161.06032	5.0
163.03961	4.4
166.08656	9.9
167.07092	4.6
173.13089	1.4
176.07182	1.6
177.04257	1.7
181.05005	1.2
188.07135	1.9
191.07097	5.2
192.06558	50.3
193.08656	4.0
206.08093	1.5
208.09663	1.4
211.09634	1.8
221.08208	3.8
230.08087	1.5
272.10428	1.6
308.17426	1.1
310.10709	9.8
322.13196	1.8
322.18774	1.6
324.12424	1.2
342.13269	12.1
352.11835	1.8
384.14636	1.4
453.63358	0.9
574.28857	100.0
574.36414	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	574.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.2
68.71008	0.9
69.03437	1.6
70.06599	1.3
70.22766	1.0
78.92677	1.1
81.03430	1.8
85.02914	12.1
88.18705	1.1
91.05473	4.9
92.17893	1.4
93.03402	2.1
95.04974	7.0
97.02912	4.2
103.05466	2.7
105.07049	1.5
107.04964	2.9
109.02901	1.1
113.73184	1.1
115.23059	1.2
119.04928	2.0
121.06501	32.3
123.04414	6.8
127.03905	2.3
131.04903	16.2
132.05717	14.7
133.06493	1.9
134.03639	8.7
137.05984	6.1
140.04698	2.4
145.05066	2.0
147.04448	1.7
148.05191	2.3
149.05988	79.4
151.03909	52.0
151.05113	1.8
151.07523	1.8
155.07045	27.2
159.04420	1.9
160.05179	15.0
161.05948	2.4
162.07593	1.5
163.03879	7.7
163.07574	6.0
165.05469	14.7
167.03395	4.9
167.07042	89.3
175.03918	9.2
177.05484	21.4
178.02634	19.7
179.07056	13.3
180.07759	31.8
181.08607	2.5
182.09511	2.8
183.08034	1.3
191.06972	31.3
192.07805	60.4
193.04971	100.0
193.08643	5.5
205.04961	25.8
209.08063	11.8
211.07480	2.2
223.06017	46.9
238.05980	1.4
243.10136	1.9
248.00383	1.3
269.08176	4.7
281.07990	1.4
286.08350	1.3
287.09195	2.4
297.07324	2.8
299.09384	1.3
308.13074	1.6
313.06924	1.4
313.10803	1.5
315.08636	6.2
327.08664	21.5
329.10202	62.5
332.08990	12.9
337.28546	1.2
341.10208	48.7
347.11285	68.6
359.11276	47.8
377.12289	52.0
554.25702	1.5
587.65283	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	574.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
55.26982	0.7
65.03947	1.3
78.04725	0.7
78.93452	0.8
79.05488	1.3
79.05979	0.8
85.02905	1.5
91.05487	8.0
92.18536	0.8
93.03410	1.9
93.07047	3.2
95.04931	1.0
103.05475	3.8
104.44723	0.8
105.03392	1.0
105.07038	21.4
107.04953	0.8
111.04423	1.9
115.05508	1.2
119.04939	25.5
119.05792	1.1
121.06520	5.5
123.04429	1.2
125.05991	1.1
130.04169	3.9
131.04944	3.3
133.02869	0.9
133.06491	38.7
137.05984	20.4
140.04726	1.0
143.06071	3.1
147.04414	38.7
147.10123	0.8
149.05992	14.4
150.06783	4.4
151.03969	1.5
151.07536	11.4
154.02634	1.1
161.05977	100.0
162.06755	78.3
163.07532	3.1
165.05444	1.0
169.04944	4.0
179.07022	19.6
181.04945	1.4
185.83046	0.8
193.32468	0.7
195.06583	3.5
197.04465	30.7
218.65219	0.8
327.08609	25.1
331.11749	1.4
347.11273	6.7
359.11264	14.2
377.12402	1.0
395.82297	0.9
439.77386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3042
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05508	2.3
57.03452	3.9
57.07087	27.2
59.22628	0.4
63.52578	0.3
67.05512	5.5
69.07076	4.3
71.08640	19.5
81.03413	2.4
81.06618	0.4
81.07069	9.8
83.08630	6.9
85.10187	14.6
89.06013	0.8
95.08620	13.3
97.10178	4.5
98.98479	19.2
99.08067	0.4
103.07596	0.6
109.02879	3.9
109.10174	7.3
123.11691	3.3
137.13298	0.8
151.14850	0.4
155.01044	19.9
157.57426	0.4
167.14510	0.5
173.02107	1.7
199.84541	0.4
221.48514	0.4
239.23694	1.9
257.24756	0.6
261.03714	0.5
290.64395	0.5
313.27380	100.0
317.06427	2.9
335.07355	1.7
393.24081	4.8
401.28992	3.3
537.28204	10.8
555.29260	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	574.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15434	0.3
52.45997	0.3
55.01876	0.7
62.93253	0.3
65.03939	0.9
70.06599	0.6
79.05489	0.6
81.03423	0.4
85.02899	2.0
91.05484	8.3
93.03397	2.9
93.07027	2.2
95.04984	1.5
96.08194	0.4
97.02905	0.4
102.04679	1.7
103.05448	2.6
105.03383	0.9
105.07038	19.0
109.02870	0.5
109.06499	1.8
110.03651	1.5
111.04446	3.6
115.05437	2.5
119.04942	22.4
121.06507	3.5
123.04444	0.9
123.08059	0.9
124.05209	0.5
125.05990	0.9
130.04138	5.2
131.04936	2.6
133.02853	0.9
133.06496	34.1
135.08000	0.4
137.02324	0.8
137.04938	0.6
137.05992	16.1
140.04674	2.0
143.06058	2.3
145.04903	0.6
147.04417	37.5
149.05997	14.5
150.06764	7.3
151.03909	1.8
151.07553	15.7
154.02599	0.8
155.07011	0.8
161.05977	100.0
162.06758	75.8
163.07520	0.7
165.05522	1.8
169.04967	2.5
177.05505	0.5
179.07039	18.4
181.04945	3.6
182.05722	1.6
195.06537	1.9
197.04460	29.1
199.06091	0.9
245.16548	0.7
246.16862	0.5
253.07089	0.5
256.18787	0.6
293.10446	0.4
327.08621	18.6
331.11780	2.2
347.11111	3.0
359.11279	16.4
377.12097	1.4
431.56329	0.4
442.15280	0.4
574.38367	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	573.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79193	0.4
58.06594	2.5
59.96584	0.5
64.76855	0.5
64.79816	0.5
70.06608	6.9
72.08165	19.2
84.08148	5.6
85.02937	0.8
89.03889	0.6
92.05505	0.5
95.04532	0.6
96.97578	0.5
112.11253	10.1
113.53088	0.5
114.09183	0.6
123.04404	0.7
129.13896	5.3
135.04407	3.6
142.74365	0.5
145.02852	4.6
152.07048	5.5
155.11794	3.3
162.05486	4.7
163.03905	97.8
177.51768	0.6
194.08171	7.5
204.06508	0.7
219.11288	2.1
220.09686	100.0
221.09225	4.4
222.11183	0.6
236.80089	0.6
265.15506	1.0
275.13916	6.1
286.14069	0.7
291.17188	0.8
293.14929	4.2
310.17719	0.9
322.21317	1.1
332.19717	3.7
339.23990	2.9
349.22339	7.0
350.20731	6.1
367.23471	6.4
501.27106	13.2
511.25531	32.0
529.26599	42.2
555.28149	0.9
573.25568	31.7
573.73596	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47032	0.3
53.03945	0.8
53.70444	0.3
55.01871	0.9
57.03439	1.6
64.47474	0.4
64.61121	0.4
65.79079	0.4
69.03436	3.5
70.22485	0.3
71.05003	3.8
77.96344	0.4
80.79247	0.4
81.03429	24.2
85.02898	1.6
87.00820	0.4
87.48277	0.4
92.17815	0.9
93.41422	0.4
99.04458	10.8
100.91846	0.4
117.05535	3.5
127.03880	0.4
136.82726	0.5
145.07637	0.4
147.09134	1.0
158.72377	0.4
163.08676	0.4
173.07103	0.6
175.08652	11.6
185.04462	0.8
191.08157	100.0
203.08076	0.8
205.09720	0.5
215.11916	0.5
223.72786	0.5
231.11455	0.8
233.09250	1.8
243.11461	0.5
271.10785	2.5
289.11758	6.8
307.12878	19.0
325.13959	7.1
331.13022	0.7
349.13901	3.6
375.11789	7.2
393.12936	52.6
411.14001	28.9
435.67764	0.4
436.61157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39196	8.2
70.06577	14.9
72.08149	18.5
85.02925	12.1
98.97570	14.3
100.98666	10.4
114.88510	13.3
154.48082	10.7
158.99643	20.3
170.99718	20.4
201.00673	25.4
219.01564	36.2
243.01791	28.1
254.11473	14.2
261.02847	52.9
279.03918	16.1
302.05945	13.6
389.93985	13.4
409.86945	12.0
466.07718	13.5
491.49979	15.4
508.36603	13.3
555.08978	20.0
573.09576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.2
57.03448	16.4
60.35947	1.2
61.02918	5.1
65.79301	1.1
66.20226	1.3
69.03100	2.0
69.03439	31.0
69.07073	38.8
70.06586	2.8
73.02927	41.1
74.55462	1.1
76.59180	1.5
81.03446	3.2
85.02911	54.1
87.04480	2.5
97.02898	100.0
99.04427	1.5
103.03944	2.8
105.01862	1.5
105.22035	1.5
109.02894	2.6
109.84081	1.5
111.04417	1.5
111.11737	12.2
114.09136	2.2
115.03938	37.0
116.78722	1.3
127.03928	16.7
133.04964	8.4
139.03870	2.0
144.08116	1.4
145.04962	15.5
149.04436	2.1
160.07625	11.1
161.07956	2.4
162.00252	1.4
163.03931	9.5
163.06018	8.1
170.09630	8.5
171.10126	3.3
171.31458	1.3
186.09134	21.0
187.09700	17.4
188.10266	6.9
211.05966	10.7
217.13400	1.5
218.14102	8.8
219.14426	4.8
220.09621	2.6
222.11420	2.0
229.07071	11.1
241.07135	1.6
259.08099	9.5
265.09171	7.3
295.10199	35.4
384.23950	1.7
407.65802	1.7
546.43817	1.6
572.26929	8.3
572.36609	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	572.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47852	0.2
51.66461	0.1
63.36860	0.2
70.06589	0.3
72.08155	0.2
79.05495	0.3
85.02903	0.8
107.04948	0.3
111.01646	0.2
111.69526	0.2
120.30231	0.1
122.03527	0.2
123.04386	0.3
149.06020	0.7
161.05975	0.4
163.03923	1.0
167.07036	100.0
178.59671	0.2
181.08566	0.9
193.08614	3.7
211.09656	22.5
361.16641	0.2
362.17029	0.3
393.18820	0.6
572.27496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79311	0.4
58.02002	0.5
70.18589	0.5
84.01330	0.5
85.02893	2.9
92.17807	0.6
95.04980	0.6
97.02896	0.6
131.04913	3.7
137.05986	100.0
163.03947	0.7
163.07513	5.1
167.07011	2.0
172.04930	0.7
175.07425	0.7
181.08597	16.9
213.11276	1.0
325.12579	0.6
354.31650	0.5
458.61157	0.5
572.23151	0.8
589.43646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87741	0.3
57.77386	0.3
66.55098	0.3
80.40525	0.3
85.02937	0.4
92.18433	0.4
93.07092	0.3
96.50215	0.3
105.07040	2.1
108.84452	0.3
117.06977	0.4
127.74198	0.3
132.76393	0.3
133.06505	3.5
135.16248	0.3
145.06570	0.4
145.74680	0.3
149.09529	0.4
151.07553	4.7
161.05997	6.6
167.07040	9.1
171.08035	1.3
175.07521	1.9
177.09109	100.0
178.06140	0.5
193.08614	66.5
195.10191	8.3
203.10672	1.7
221.11732	23.6
357.16858	1.7
375.18030	13.7
375.22842	0.4
393.19104	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	572.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.01877	2.3
57.03441	3.0
61.02936	3.2
61.59809	0.5
69.03099	0.9
69.03438	14.8
69.07063	1.2
70.06595	3.3
71.01350	1.1
71.04994	2.3
72.08163	1.0
73.02912	3.2
81.03434	11.0
81.07064	0.8
83.01321	0.6
83.01845	0.5
83.04971	1.0
84.04505	1.1
85.02915	100.0
86.03250	0.7
86.09703	0.5
87.00838	21.7
87.04469	0.6
95.01326	2.5
95.08604	0.7
97.02898	23.6
99.00806	1.0
99.04469	8.9
101.02392	1.0
103.03956	5.9
105.01879	32.8
109.02893	19.7
109.10081	0.7
111.04422	1.3
111.49327	0.7
113.02380	3.0
114.09186	0.7
123.04447	2.7
125.02390	1.1
127.03927	46.8
128.04260	0.6
129.01830	6.0
130.04997	1.0
131.03407	1.3
135.02977	0.5
137.05937	0.5
139.03897	1.1
141.01846	20.0
145.04977	12.6
147.02885	3.0
147.04465	0.7
151.03925	1.3
159.02899	9.1
163.03943	0.6
167.07024	4.0
168.07341	1.3
169.04976	2.8
170.09715	0.6
171.02916	2.3
173.04509	0.8
187.06059	0.7
188.51445	0.5
189.03951	5.4
196.17081	1.0
212.16481	1.0
213.03954	5.2
214.18053	9.1
223.06010	0.5
225.03838	0.6
231.05008	22.6
238.18083	2.6
243.04990	0.7
249.06047	15.4
251.06386	0.6
257.17661	0.5
261.06033	5.6
267.05157	0.9
273.06012	4.0
285.06113	2.2
303.07104	4.4
310.79276	0.5
321.08148	0.7
361.18506	0.6
371.06082	1.2
384.25043	6.2
389.07190	7.4
400.13452	0.6
407.08322	9.6
425.08960	4.2
478.29343	0.6
554.37964	6.0
572.25513	3.5
584.75500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.2
55.05510	3.1
58.06599	3.5
61.90482	2.2
63.74856	2.1
67.05183	3.2
67.05513	63.2
67.45023	2.2
69.03435	32.5
69.07062	2.9
70.06596	34.6
71.00294	2.5
71.04967	3.8
72.07862	2.1
72.08162	31.7
81.03414	17.8
81.07057	6.0
81.46768	2.6
83.08626	3.7
84.04517	4.9
84.08139	14.5
85.02421	3.8
85.02911	100.0
85.03422	4.6
85.06560	21.2
86.07211	2.8
86.09708	3.7
87.00827	33.1
97.02898	34.8
98.09682	2.7
99.04453	19.3
100.07683	3.5
105.01881	81.9
107.08504	3.0
109.02901	32.9
109.10162	99.7
112.07641	4.3
112.11227	4.0
112.83529	2.6
114.10272	10.3
123.04413	3.8
127.03056	3.8
127.03925	80.3
127.11186	29.8
128.07077	2.6
137.05983	3.1
145.04996	18.9
151.11272	3.6
157.95384	2.9
159.02834	4.9
163.03899	31.6
167.10739	3.1
177.05496	5.4
193.47055	2.5
217.08556	4.1
217.12256	3.8
220.09732	18.0
231.04979	35.9
235.13400	3.0
249.06039	35.1
271.15881	3.5
283.61197	2.8
321.13361	5.1
331.08154	3.7
335.26172	3.2
339.14465	9.9
357.15475	10.9
375.16428	20.0
393.17636	13.2
419.13483	6.6
553.90320	3.0
572.26154	52.6
572.38983	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	572.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57263	3.0
53.74821	2.4
55.01882	3.2
57.03449	3.4
58.62739	2.4
61.02925	3.8
63.13696	2.9
67.05510	39.9
69.03427	28.5
70.06588	13.1
71.04977	5.6
72.08153	12.0
73.02480	3.0
81.03408	11.8
81.07068	4.1
85.02908	100.0
85.06548	17.5
87.00829	31.6
92.18468	6.3
93.07012	3.3
97.02894	41.5
99.04446	12.8
100.30671	3.6
105.01875	74.1
107.08553	5.5
109.02869	33.8
109.10155	70.5
121.00597	3.3
123.04441	4.7
127.03928	80.1
127.11185	18.1
131.04950	4.4
133.10204	3.9
145.04973	21.2
159.02882	4.3
163.03955	7.0
165.05469	5.9
189.13109	3.5
222.11256	38.3
231.05017	29.7
249.06044	30.3
332.33066	3.3
338.28094	3.6
339.14365	16.5
357.15317	13.6
375.16510	14.5
393.10757	3.3
393.17432	5.7
462.86740	3.6
572.26184	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40139	0.7
51.02415	0.8
54.72928	0.8
61.36935	0.9
69.03440	1.4
69.07082	1.0
70.06596	1.5
72.08147	1.3
85.02872	6.7
85.22868	1.0
91.05479	1.7
93.07021	1.7
94.18975	0.9
95.06113	1.5
97.02897	1.8
103.05474	1.5
105.07023	4.9
107.04957	1.2
109.02860	1.2
119.04934	7.2
121.06503	3.7
125.05978	1.1
127.03943	1.1
131.04907	6.4
133.02838	1.3
133.06485	9.7
137.04921	1.6
137.05978	50.0
138.06158	0.9
147.04396	8.6
149.05989	27.2
150.06758	1.3
151.07581	3.7
153.05502	3.7
161.05972	91.8
162.06709	10.4
163.07539	4.4
165.05396	1.5
167.07066	2.0
175.07530	12.0
177.05452	2.1
179.07034	7.5
188.04581	1.1
191.07040	6.2
195.06551	8.7
203.07030	88.9
205.08560	2.0
209.08028	1.3
221.05946	6.3
221.08006	32.1
225.09094	5.2
233.05826	1.5
233.08026	17.2
235.07594	1.5
237.09029	1.1
249.09125	1.9
253.08557	21.4
265.08585	3.5
267.10083	9.3
277.08664	5.7
285.11188	81.4
295.09561	7.4
297.11172	19.8
307.09656	4.6
309.11224	11.1
313.10712	1.0
325.10709	15.2
327.12283	60.9
339.12238	8.3
345.13315	100.0
357.13370	16.7
375.14392	1.6
469.23331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88543	1.6
53.70571	2.0
68.13164	2.0
72.08173	2.6
76.04250	2.1
85.02908	2.7
88.36716	2.0
90.07912	2.0
105.07029	3.0
119.04935	8.4
121.06490	2.9
131.04932	4.9
133.06519	10.3
137.05995	55.5
143.05060	2.9
147.04387	10.8
149.05969	23.5
153.05525	4.2
161.05974	85.1
162.06764	11.0
163.07518	9.3
167.07045	14.2
175.07530	13.9
177.47955	2.1
179.07019	9.5
182.07100	2.7
191.07054	4.6
191.95721	2.4
192.07692	2.6
193.08571	4.1
203.07025	76.5
221.05946	9.1
221.08122	31.0
223.06239	2.4
225.09290	4.7
233.08127	16.7
253.08591	26.3
265.08575	5.3
267.10123	14.2
277.08621	4.8
285.11230	94.8
295.09778	4.6
297.11264	12.4
309.11285	10.2
325.10742	12.6
327.12241	62.2
339.12271	11.0
345.13333	100.0
357.13287	11.4
375.18192	8.8
393.11664	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	571.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38583	0.3
58.06593	0.4
63.15577	0.3
66.53098	0.3
72.85542	0.4
84.08138	0.5
85.02869	0.7
126.36902	0.5
127.46010	0.4
144.08089	27.4
145.08885	0.8
158.09641	1.0
170.09644	100.0
171.10420	28.3
187.12206	0.7
199.12303	1.6
201.13861	7.1
202.14650	28.3
273.07693	0.4
285.19608	2.0
308.08670	0.5
384.24026	4.7
396.13797	0.4
413.18643	0.5
571.36469	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	572.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56870	1.1
55.01881	2.5
61.02917	2.2
64.06538	1.5
69.03428	13.5
71.04972	1.8
73.02942	2.3
81.03402	12.3
85.02908	43.5
87.00854	11.3
87.01298	1.3
87.71762	1.4
88.86078	1.5
92.87121	1.6
97.02884	13.7
99.04443	3.4
103.04000	2.0
105.01873	15.3
105.43410	1.5
109.02895	10.6
127.03909	28.2
135.08017	1.5
143.07327	2.9
144.08098	92.0
145.04967	6.6
153.43848	1.5
156.08086	9.7
158.05994	2.3
158.09668	49.2
159.02861	6.0
160.07587	2.1
162.09154	21.7
167.07069	7.4
168.08032	8.6
174.09172	3.7
177.09123	3.9
181.08617	8.7
182.09215	2.5
184.07635	13.6
186.09152	100.0
189.09119	3.4
193.08629	6.1
198.09111	2.2
204.10201	70.6
206.09706	2.9
210.09213	5.9
214.08690	1.6
216.35612	1.4
228.10245	7.1
231.04906	2.4
234.09222	2.3
252.10291	8.8
264.07373	1.8
270.11362	3.6
288.12363	2.3
306.13406	6.5
324.07822	1.9
361.16663	6.6
362.16916	7.7
363.17053	20.3
366.15619	2.8
374.12314	9.4
392.13403	59.4
410.14362	13.1
536.17914	2.3
554.18872	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	571.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22553	0.4
54.46726	0.5
58.06609	2.0
69.09686	0.4
99.70020	0.6
146.53778	0.5
147.91679	0.5
160.07558	35.0
161.08263	0.6
170.09573	0.7
174.09132	1.9
186.09138	100.0
187.09915	36.3
202.11073	2.4
217.13347	5.6
218.14146	21.8
261.97217	0.6
273.50842	0.5
285.19736	1.2
409.50250	0.6
549.69598	0.6
571.36420	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	571.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64966	0.5
57.25141	0.6
58.06602	0.8
60.57011	0.6
70.06604	0.6
85.02936	0.7
93.91676	0.6
160.07581	35.6
161.08545	0.7
170.09634	2.3
174.09100	1.2
186.09146	100.0
187.09933	33.7
187.11510	1.4
202.11046	0.9
217.13333	6.4
218.14159	23.3
218.16202	0.9
285.19727	1.4
307.95132	0.7
461.91553	0.7
571.36511	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	571.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	2.4
60.08171	1.3
64.66241	0.5
69.07079	0.8
70.06602	0.9
79.51594	0.6
80.75040	0.5
86.32462	0.6
93.07064	0.8
95.08652	0.7
112.05157	0.8
115.21154	0.5
119.08630	0.9
123.14729	0.6
160.07573	37.8
170.09656	4.6
174.09122	2.0
186.09148	100.0
187.09933	36.2
217.13390	4.7
218.14122	23.0
273.19293	0.5
354.86884	0.6
571.36774	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	571.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54533	1.4
62.52538	1.1
67.08458	1.0
67.59174	1.0
70.06599	2.0
70.14135	1.1
72.08167	2.1
85.02898	1.8
86.09727	1.8
110.07198	1.7
144.08104	26.3
145.08910	1.6
160.07597	24.9
170.09651	100.0
171.10442	22.0
174.09167	1.8
186.09145	57.6
187.09926	20.6
199.12347	2.9
201.13887	2.1
202.14687	17.9
217.13434	4.6
218.14200	10.6
287.84930	1.3
345.13358	2.1
571.36896	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48794	0.6
58.06592	0.8
67.24281	0.6
70.06549	0.6
70.55871	0.5
76.94400	0.6
144.08118	1.4
160.07574	38.4
161.08434	1.3
170.09651	8.0
174.09203	1.1
184.07382	1.0
186.09146	100.0
187.09927	45.0
215.11816	1.3
217.13319	9.1
218.14139	38.6
226.52287	0.7
285.19958	0.9
296.02866	0.7
300.50351	0.6
384.23999	9.1
571.36444	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44602	0.3
58.06596	0.7
70.38611	0.3
79.19810	0.3
86.09699	3.2
87.10025	0.6
88.24268	0.3
124.99971	0.8
141.71022	0.3
144.08063	0.6
160.07581	36.4
161.08344	0.6
170.09630	4.1
171.10428	0.4
174.09103	1.3
175.07562	0.6
184.07355	15.2
185.07663	3.5
186.09148	100.0
187.09929	34.2
198.09230	0.4
202.11041	1.4
203.11810	0.7
217.13347	5.2
218.14153	23.0
285.19678	0.7
301.54340	0.3
374.54880	0.3
384.24231	1.6
413.21423	0.4
457.40268	0.3
457.46606	0.4
568.41656	0.4
571.36438	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21909	0.3
52.90028	0.3
58.06609	1.2
58.14043	0.3
61.91441	0.3
71.53627	0.4
86.05547	0.3
123.01260	0.3
131.07272	0.3
144.08099	30.4
145.08865	0.7
158.09662	2.1
158.96199	0.3
160.07594	3.0
170.09651	100.0
171.10432	24.9
172.11238	0.4
186.09116	5.7
187.09909	1.6
187.12300	0.4
198.12761	0.6
199.12337	8.9
201.13895	5.8
202.14668	16.1
204.12540	0.5
214.43915	0.4
218.14108	0.7
241.16936	0.5
255.18518	0.3
266.06839	0.3
266.60245	0.3
301.19174	1.2
309.95007	0.3
378.32455	0.3
415.45993	0.3
436.20886	0.4
571.36469	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	571.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.5
57.91607	0.3
58.06588	0.9
66.27335	0.3
72.08145	0.4
77.03909	0.9
78.19318	0.4
78.30585	0.4
89.03889	0.7
102.04669	0.6
103.05439	0.9
115.05376	0.7
128.06166	0.5
130.06494	0.8
139.23216	0.4
143.07312	0.7
144.08084	9.7
154.06497	0.6
158.09624	0.9
160.07568	35.3
162.94975	0.4
167.06963	0.8
170.09639	26.1
171.10371	4.8
174.09131	1.8
186.09137	100.0
187.09924	32.1
199.12317	0.7
201.13881	1.8
202.10989	0.8
202.14624	4.3
203.11768	0.5
214.11693	0.5
217.13345	5.5
218.14134	19.1
229.24838	0.4
285.19745	0.7
306.99692	0.5
368.24622	1.8
377.36771	0.5
388.91318	0.4
450.18011	0.4
571.36469	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96983	0.3
58.06589	0.8
66.04623	0.3
70.06577	0.3
79.43790	0.3
81.07060	0.3
104.10707	0.3
110.06075	0.3
114.09190	0.5
120.91168	0.3
160.07581	33.4
161.08362	0.7
170.09615	2.0
174.09213	1.3
184.07365	0.5
186.09151	100.0
187.09927	33.7
198.09178	0.4
202.11037	1.5
217.13359	5.1
218.14151	20.6
229.13379	0.3
285.19696	0.4
543.61139	0.3
553.56482	0.4
571.36487	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.9
58.22375	0.7
65.26875	0.7
72.08166	1.2
77.70631	0.8
104.45053	0.7
104.51842	0.8
144.08105	3.7
160.07585	38.3
170.09642	23.1
171.10471	4.9
173.78058	0.8
186.09148	100.0
187.09935	39.0
201.13846	1.1
202.14734	3.4
203.11827	1.0
217.13394	9.7
218.14160	36.2
218.16249	1.6
221.14896	0.9
285.19614	1.3
384.24377	6.3
571.36517	91.9
590.51007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.164
Annotation	Tenuiphenone B
Peak:m/z	Relative Intensity
53.63766	0.5
59.26223	0.6
61.55588	0.5
67.54364	0.5
72.08167	0.8
83.47173	0.5
120.63975	0.5
126.82374	0.5
169.04741	1.2
174.80583	0.5
175.03903	0.6
185.04250	2.2
201.03767	0.6
203.05365	4.1
207.06587	2.1
245.06442	0.8
246.05061	2.4
259.07935	3.7
331.10135	2.5
347.09485	12.3
390.56226	0.6
571.16351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97930	1.3
55.67803	1.4
59.73649	1.4
61.86223	1.4
66.95190	1.3
68.59162	1.6
71.07198	1.3
80.45086	1.8
94.80051	1.5
120.82719	1.8
126.14803	1.7
137.05984	65.3
151.03918	3.4
160.07576	17.5
161.05965	8.6
162.06741	2.5
163.50571	1.7
170.09612	1.7
186.09140	49.7
187.09930	20.5
199.14429	12.1
201.05464	72.9
202.06189	1.9
213.05524	14.2
217.13324	2.0
218.14140	12.5
231.06451	3.5
234.06821	3.7
235.07484	3.1
245.06017	3.4
249.09106	8.8
262.06351	8.8
263.07047	4.0
265.08578	8.0
273.05490	2.6
276.07816	2.7
277.08627	34.4
279.06573	2.1
287.07019	3.8
290.05722	50.3
292.07214	2.3
293.08047	9.2
294.08768	3.9
295.09808	2.6
304.07343	3.9
305.08054	92.6
307.06598	1.8
307.09576	15.5
309.11270	2.7
319.09567	4.0
322.08307	8.4
325.10733	18.0
337.10672	100.0
348.94824	2.0
355.11777	77.0
360.67004	1.7
429.09695	1.8
541.24976	2.0
571.26410	14.7
571.36346	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	570.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82607	1.4
55.05516	1.7
57.07087	51.2
63.73718	1.2
69.07063	7.2
71.04958	1.0
71.08633	51.0
73.06548	6.1
83.08595	1.9
85.10184	27.7
87.04471	6.8
89.06035	100.0
97.10152	1.7
99.11739	2.1
111.11732	4.3
117.09107	4.8
133.08607	34.7
177.11256	11.7
199.44145	1.1
221.13806	2.4
241.90007	1.4
243.45122	1.5
271.26413	4.8
308.67480	1.2
315.29037	2.7
327.20291	1.3
371.22827	14.6
545.06903	1.2
553.43115	86.6
570.45770	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18203	6.1
55.50202	7.6
57.07086	16.9
71.08633	12.6
79.03169	7.9
85.10186	12.0
89.06033	100.0
133.08618	15.4
160.15535	8.3
177.33904	9.0
226.36057	8.7
318.32697	9.7
371.22647	10.4
553.42938	35.4
570.45856	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	570.341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33048	1.3
50.77920	1.2
52.87556	1.2
60.08166	10.2
66.36143	1.7
73.78353	1.5
76.74004	1.7
85.76474	1.8
86.09712	30.2
89.00803	1.6
91.05502	1.5
104.10751	86.2
104.94938	1.4
120.08115	15.7
124.99994	12.2
130.19456	1.4
131.04932	9.8
170.09676	2.0
177.09062	2.2
184.07356	100.0
190.12294	3.2
200.76530	1.4
219.10274	3.4
412.20981	2.9
452.23941	3.7
534.31982	8.7
552.33118	12.4
570.25848	18.8
570.33984	38.2
577.53705	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	570.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02330	0.1
57.03432	0.2
57.10168	0.2
58.06590	0.2
59.81889	0.2
60.08177	4.4
65.77277	0.2
65.85728	0.2
67.05462	0.2
70.06583	0.3
70.66898	0.2
71.07353	1.0
72.08117	0.2
79.88026	0.2
81.07047	0.3
85.02879	0.9
86.06078	0.2
86.09711	20.8
93.69685	0.2
98.98450	0.4
104.10756	2.8
109.10154	0.5
125.00008	8.8
135.11719	0.2
184.07347	100.0
219.62761	0.2
311.39355	0.2
355.21054	0.2
412.21161	2.3
452.24054	2.2
493.26242	0.2
516.31030	0.3
534.31976	1.4
552.32837	5.1
570.34100	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	570.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38922	0.8
55.12764	0.8
55.80833	0.9
61.74044	1.0
62.30003	0.9
64.65532	1.0
70.06598	100.0
78.28300	0.9
82.40298	1.0
84.08144	4.8
85.02909	1.0
86.09708	31.3
93.07057	1.5
96.40241	1.0
97.10146	1.1
114.05524	1.9
115.08682	11.2
120.08066	1.8
134.06027	1.1
136.07622	1.2
138.12775	7.6
143.13615	0.9
148.07556	4.1
156.41635	1.0
163.03876	1.4
165.42778	1.0
181.13341	4.5
183.14958	5.0
187.11169	1.6
202.12300	17.1
209.12883	18.8
211.10800	2.4
247.14365	1.7
270.18433	6.0
271.10809	1.8
294.98849	1.3
299.10220	2.4
306.44272	1.1
315.20648	5.1
322.17633	10.5
322.21207	3.2
329.45737	1.2
331.12930	3.8
429.28552	2.5
435.26086	13.4
439.27341	1.4
457.28113	52.2
508.20743	2.0
514.48431	1.1
541.69110	1.1
570.32874	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	570.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.1
55.47237	0.9
60.54243	1.0
64.36699	1.1
64.56548	1.0
69.03434	1.4
69.07072	9.2
70.06580	2.1
71.05001	8.4
72.10239	1.3
77.22255	1.1
79.05500	1.9
81.07063	19.3
83.05002	2.8
85.02913	16.3
91.05487	11.9
93.07047	94.0
95.00739	1.1
95.04971	5.9
97.02884	4.8
97.06535	30.7
99.04482	1.7
101.06004	2.0
105.04518	2.0
105.07034	22.7
107.08634	1.3
113.06022	2.6
119.04971	4.9
119.08588	6.4
124.55259	1.3
125.05988	37.4
127.03859	4.1
131.04884	1.6
131.08566	2.9
133.10127	64.0
137.05978	15.9
143.07036	100.0
145.04971	4.7
147.04442	5.4
147.11708	24.5
151.11139	2.0
157.10147	4.7
161.05957	1.8
162.06729	7.3
162.22176	1.1
163.06027	1.8
175.11203	8.7
177.05452	1.6
181.04926	1.5
187.07460	1.5
193.04997	1.8
193.12245	60.7
195.06436	1.3
201.05479	12.4
211.13275	17.9
219.06491	7.1
225.07625	1.5
249.11198	28.6
265.08597	1.9
267.12399	1.8
293.08051	1.5
307.09631	1.2
323.09052	2.5
325.10907	7.1
337.10980	1.3
343.11777	5.9
347.36777	1.4
355.11758	7.9
373.12784	1.8
406.17032	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	570.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05645	1.0
70.06602	5.7
72.08157	5.0
73.12820	0.7
76.00599	0.6
84.04474	1.2
84.08141	1.6
85.02905	3.4
89.42574	1.0
93.07047	0.9
95.06110	1.0
100.97265	0.7
105.07021	1.0
107.04998	5.2
114.10363	1.2
121.06483	5.0
123.04415	0.8
129.07007	3.2
129.10272	0.9
129.75204	0.7
131.04926	3.3
131.08578	1.5
137.06049	5.3
140.04623	0.8
141.70729	0.7
145.06384	0.9
149.05972	1.3
151.03789	0.7
151.07541	4.9
153.05460	3.7
155.07086	0.9
157.06512	6.2
161.05986	13.3
161.09615	3.5
163.03889	1.1
163.07564	7.3
165.05635	1.0
165.09065	1.7
166.06270	1.3
167.07034	23.8
168.60701	0.8
174.06712	0.8
175.07593	6.3
177.05415	1.0
177.09084	6.6
181.08603	33.4
187.07616	0.9
189.09109	27.4
191.07016	4.5
193.08589	3.1
206.48999	0.8
207.10205	3.4
219.08142	1.3
219.10243	1.4
223.07674	1.2
224.20000	0.9
225.09067	4.6
247.07718	1.0
251.10677	2.9
253.08646	4.9
255.10161	1.3
257.11740	4.6
265.08591	1.3
270.08917	1.5
271.13199	1.7
279.10184	3.1
283.09738	5.7
283.13312	3.1
285.11169	12.4
297.11197	1.5
299.12769	1.3
302.11423	0.9
309.11243	3.6
310.12039	0.9
311.12842	1.9
315.12277	6.0
317.13873	3.7
339.23434	0.9
341.13824	1.8
343.15433	4.9
361.16467	100.0
373.16382	10.6
451.15991	0.8
570.22888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
62.45058	0.9
69.13163	0.9
70.06587	5.7
72.08147	6.2
80.49947	1.1
84.08136	2.0
85.02914	1.9
90.22263	1.1
95.06097	1.4
107.04964	4.6
114.10302	1.4
121.06525	2.0
129.06993	1.6
131.08563	1.8
137.05984	4.8
145.06554	1.6
147.04465	1.2
151.07526	7.2
153.05563	2.0
157.06470	6.9
160.78792	1.0
161.05971	10.2
161.09634	5.6
163.03931	5.0
163.07474	8.3
165.05396	1.3
165.09119	2.6
166.06230	2.2
167.07043	20.1
174.06758	1.8
175.07497	2.4
177.09113	6.2
181.08600	31.8
189.09103	27.4
191.07048	5.2
193.08698	1.6
207.10202	4.8
212.08600	1.2
219.08167	1.6
222.11220	1.3
223.07460	1.6
225.09163	4.2
251.10706	1.9
253.08592	4.7
257.11694	8.1
271.13284	1.4
279.10162	2.4
283.09647	3.8
283.13214	2.5
285.11163	9.4
296.10629	1.5
309.11285	2.2
311.12775	1.5
315.12262	7.4
317.13870	4.3
331.15433	1.0
343.15488	5.6
350.33563	1.0
361.16479	100.0
373.16544	10.6
525.38440	1.1
526.27161	1.3
570.24091	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	570.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82596	0.4
53.05064	0.3
58.99728	0.4
70.06574	0.7
73.12869	0.4
81.33240	0.4
87.53963	0.4
91.05475	0.9
103.05422	0.6
105.07036	5.2
107.04963	0.6
115.05408	1.0
117.07033	0.6
119.07853	0.5
119.08578	5.0
129.07022	2.3
132.05682	1.9
133.06506	8.7
137.03218	0.5
137.05971	0.5
145.06464	0.5
147.08051	7.3
148.88251	0.5
159.08052	0.5
160.05206	1.9
161.04732	0.7
161.05983	13.8
163.07610	0.6
167.07037	29.6
169.06459	3.8
173.09534	0.6
175.07547	100.0
178.06277	0.7
187.07549	2.7
189.09200	0.9
193.08615	69.8
201.09131	5.1
291.09952	0.6
343.15253	0.5
355.15417	37.5
373.16489	11.1
570.28406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24864	0.8
68.50957	0.9
86.09693	1.1
105.07011	2.2
106.57695	1.0
107.04936	1.4
114.12868	1.0
115.05507	1.2
129.10252	1.1
133.06503	6.6
137.06013	1.2
144.08060	1.5
151.07574	5.6
161.05988	9.5
163.07587	2.3
167.07018	12.4
170.09682	5.8
171.10103	1.6
175.07504	2.3
177.09114	100.0
181.08565	7.3
189.09096	9.3
191.07056	1.5
193.08607	50.1
195.10205	3.8
211.06418	1.2
217.63293	1.2
221.11732	20.2
255.70097	1.1
266.15836	1.1
285.11194	4.6
315.12317	1.5
317.13544	1.5
328.34946	1.0
361.16437	23.8
373.16193	1.4
375.17850	2.3
570.24738	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	570.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15300	0.6
58.00981	0.6
59.86192	0.7
69.03441	0.9
81.92400	0.7
85.02912	6.7
107.04967	7.4
114.22707	0.7
121.06496	3.4
123.04486	0.8
127.03893	1.2
129.06992	0.8
129.68327	0.7
130.76323	0.7
131.04875	2.5
131.08598	1.1
137.05994	4.3
145.06656	0.8
147.04434	1.5
149.05989	1.7
151.07542	4.6
153.05505	3.5
157.06479	3.8
159.08080	0.7
161.05977	7.9
161.09627	1.8
163.07545	7.1
165.09084	1.3
167.07051	29.4
170.09702	0.8
174.06795	0.8
175.07608	2.7
177.09140	5.1
181.08607	32.4
183.37164	0.7
189.09125	25.9
191.07123	1.0
193.08565	3.1
207.10251	4.2
219.10234	3.0
225.09184	4.0
247.07584	0.9
251.07076	1.0
251.10733	1.5
253.08601	5.2
255.10078	1.3
257.11761	4.5
270.08939	1.5
271.13510	1.1
279.10120	1.7
283.09714	5.5
283.13342	2.9
285.11230	9.3
297.11066	0.9
311.12802	0.9
315.12280	6.5
317.13843	3.9
320.86206	0.8
343.15491	5.0
355.15274	0.9
361.16473	100.0
373.16495	3.5
378.87625	0.7
534.17041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03476	0.4
69.30923	0.4
72.43154	0.4
72.94992	0.4
79.05467	0.5
82.98815	0.5
85.02919	4.3
85.40706	0.4
95.04966	0.5
97.02879	1.0
99.35149	0.4
105.07025	1.0
107.04955	3.3
114.49641	0.5
121.06520	4.1
123.04469	0.6
129.07037	2.3
131.04932	0.8
131.08556	1.0
133.06438	0.5
134.75191	0.4
135.07988	0.5
137.06000	2.7
137.54779	0.4
139.19051	0.4
143.05125	0.4
145.04956	0.6
145.06493	1.7
149.05994	1.8
151.07550	4.7
153.05502	3.6
155.07034	0.5
157.06491	4.8
161.05989	6.1
161.09581	2.2
162.07703	0.4
163.07520	6.4
165.09081	3.4
166.06235	1.0
167.07050	22.4
174.06789	1.0
175.07552	4.3
175.13300	0.4
177.09142	4.0
180.08754	0.8
181.08606	32.9
189.09119	25.1
191.07056	2.1
193.08633	1.8
195.08186	0.6
207.10158	3.0
215.10588	0.4
219.08209	0.6
219.10178	1.9
221.05920	0.6
223.07341	0.5
223.11058	0.9
225.09102	4.7
229.12245	0.9
235.07617	0.5
239.10612	0.6
247.07639	0.7
251.07214	0.7
251.10643	1.6
253.08714	4.2
255.10205	0.9
257.11746	5.2
265.08578	0.5
267.10132	0.7
270.08780	0.6
271.13263	0.6
279.10156	1.9
283.09668	3.6
283.13303	4.0
285.11240	11.4
299.12769	1.7
302.11441	1.0
311.12790	2.7
315.12271	6.8
317.13882	5.0
328.13516	0.5
329.13742	1.0
331.15488	0.5
343.15436	4.9
346.14001	0.6
361.16479	100.0
373.16235	0.7
493.15375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01877	1.5
57.03436	2.8
59.39648	0.6
61.02935	1.7
64.53213	0.8
69.03433	14.0
69.07075	10.1
71.01359	1.2
71.04996	1.0
73.02917	4.6
81.03433	8.0
83.04961	0.8
85.02909	100.0
87.00829	16.7
91.68892	0.8
95.01327	1.5
95.04945	0.9
97.02902	18.9
99.04456	7.3
103.03942	4.5
105.01879	32.9
109.02884	18.0
111.11671	1.0
113.02378	3.3
125.02379	1.3
127.03922	43.8
129.01839	5.5
139.03874	1.4
141.01833	18.6
145.04944	13.6
147.02901	3.2
151.03911	1.6
159.02896	8.2
159.03999	0.8
163.05977	0.7
169.04901	1.3
171.02919	1.2
179.03563	0.9
184.07330	1.2
189.03943	4.5
213.03957	3.5
225.04120	0.7
231.05008	19.5
249.06091	14.3
261.06128	6.6
273.05991	2.9
285.06110	1.7
303.07184	3.1
371.06134	1.3
389.07138	9.2
407.08264	9.6
425.09436	3.1
570.23322	3.6
570.31482	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	570.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48256	0.5
52.14750	0.6
53.03949	1.2
55.01879	2.6
55.05515	1.1
57.03428	2.6
61.02929	2.6
66.32668	0.5
68.99790	1.1
69.03437	15.0
69.07076	11.8
70.06596	0.8
71.01358	2.3
71.04993	1.4
71.34254	0.6
73.02919	3.6
75.34602	0.6
81.03426	9.8
81.07067	0.7
83.04948	0.8
83.92850	0.5
85.02912	100.0
87.00839	19.6
94.85542	0.6
95.01315	3.4
95.04957	1.0
95.08606	1.5
97.02900	22.7
99.00820	1.2
99.04447	7.1
103.03947	3.6
105.01879	35.3
109.02885	20.9
109.03622	0.9
109.10181	1.0
111.04449	1.5
111.11746	2.3
113.02363	3.0
115.03915	1.0
121.22025	0.7
123.04395	1.0
125.02378	0.8
127.03922	48.6
127.24229	0.5
129.01855	5.4
131.03395	0.9
139.03882	0.9
141.01833	21.2
141.27448	0.7
144.08130	0.9
145.04961	14.3
145.08429	0.8
147.02879	3.3
151.03929	3.4
155.03374	0.8
159.02890	9.5
169.04968	3.1
170.09645	1.3
171.02866	1.0
181.05054	0.6
184.07399	0.8
187.06062	1.4
189.03943	6.3
199.05981	0.7
213.03912	2.5
223.06026	1.0
231.04987	19.8
243.05014	2.3
249.03694	1.1
249.06062	17.9
261.05969	6.0
267.05008	1.1
273.05994	4.4
285.06064	2.7
287.22101	2.4
303.07150	4.2
305.23184	0.6
316.82526	0.6
353.05231	1.1
371.06247	1.3
389.07245	7.7
407.08093	8.3
425.09140	4.9
570.23541	4.3
570.32135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.2
55.01875	2.7
55.05514	1.2
56.05051	0.7
57.03448	4.2
59.20491	0.5
61.02931	2.8
67.05476	0.8
69.03439	16.0
69.07070	11.8
70.06596	3.3
71.01357	1.3
72.08157	2.3
73.02923	2.4
81.03428	10.9
81.07073	0.7
83.04990	1.0
84.04536	0.7
84.08157	1.0
85.02911	100.0
86.09704	0.8
87.00833	18.3
95.01322	1.0
95.04956	0.7
97.02898	23.8
97.13727	0.6
99.04448	7.7
103.03938	3.9
104.05325	3.5
105.01876	32.9
105.07042	0.8
109.02888	20.4
111.04427	2.8
111.11718	1.3
113.02393	2.9
114.72535	0.6
115.03861	0.7
117.01815	0.9
120.08138	1.2
123.04453	1.3
125.02414	1.9
127.03923	48.0
129.01842	4.8
129.10231	1.0
131.03346	0.9
139.03873	0.8
141.01837	19.1
145.04990	11.4
147.02852	2.6
149.07474	0.8
151.03873	1.0
151.75687	0.6
159.02904	9.7
169.04977	1.0
171.02957	0.8
177.03839	0.7
180.32607	0.7
181.04924	0.8
189.03922	5.3
213.03970	4.9
223.06227	0.7
231.05006	24.1
243.05110	0.9
249.06061	14.4
260.10696	1.0
261.06015	6.6
267.05176	0.9
273.06070	3.8
285.06189	2.4
287.21970	0.8
303.07153	3.6
321.08289	0.7
371.05933	1.4
389.07245	9.5
407.08261	9.8
425.09146	4.2
570.23529	0.9
570.31488	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	570.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84297	1.2
66.73981	1.0
68.07996	1.1
69.03423	1.8
69.09739	1.0
70.06592	2.7
73.72229	1.3
80.74763	1.2
85.02898	5.2
87.21410	1.2
87.83633	1.1
88.76465	1.0
91.05522	1.7
92.18373	2.0
95.68481	1.2
103.05475	2.2
105.07055	1.7
111.47240	1.2
119.04923	6.4
119.08558	1.3
121.06431	1.7
123.99529	1.2
127.03796	1.4
131.04932	15.0
132.60599	1.2
133.02904	1.9
133.06480	3.1
136.06169	2.5
137.05966	27.0
147.04407	11.9
149.05977	2.8
150.06775	2.6
151.07486	2.1
154.88248	1.3
161.05998	7.5
162.06732	10.2
163.07561	19.9
163.97815	1.1
173.05963	5.9
175.03903	7.1
179.07158	1.6
191.07033	2.1
193.05054	2.8
193.08572	2.7
201.05472	100.0
205.06462	1.4
211.09721	1.4
213.05348	1.5
219.06491	22.4
231.06586	2.9
233.06018	2.9
237.09099	1.7
265.08469	10.0
277.08557	2.8
290.05896	1.4
292.07300	1.8
293.08044	9.5
305.08084	5.4
307.09586	10.8
323.09100	12.0
325.10703	27.8
337.10803	5.1
341.47656	1.4
343.11801	19.8
355.11722	28.2
373.12778	10.5
397.94562	1.3
408.22568	1.6
419.60220	1.3
570.27606	1.7
570.41705	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	570.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58140	0.8
60.08169	17.9
67.04256	1.7
68.05032	1.7
69.18402	1.1
81.03416	2.2
82.91847	1.2
83.97919	1.1
85.02894	1.2
95.06097	36.6
102.59162	0.9
109.02870	2.2
113.01724	4.1
113.07122	11.7
125.01704	15.7
126.02454	11.6
127.03255	17.5
139.05042	20.9
143.02773	1.7
144.03552	2.2
145.03258	1.1
145.04330	6.8
157.06102	9.3
163.03912	2.0
185.09915	2.2
192.99570	43.2
234.02325	1.1
245.03864	5.0
246.02170	2.5
251.33777	1.2
254.06956	1.5
257.11343	1.1
259.05359	11.4
260.03735	1.8
261.06845	2.3
275.12473	10.0
287.04837	73.6
303.04440	2.3
305.05896	27.8
323.06992	1.9
364.13184	1.5
400.71829	1.1
467.11307	15.7
511.10431	2.5
526.10406	1.5
526.18567	80.4
570.17542	100.0
575.29395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3133
Annotation	Adouetine Y
Peak:m/z	Relative Intensity
50.91187	0.5
51.87370	0.4
52.89999	0.5
53.72358	0.5
53.81068	0.5
58.06613	26.4
59.07397	18.4
60.08176	34.2
63.12651	0.6
66.37112	0.5
68.43286	0.5
70.06613	5.3
71.07377	0.8
83.76723	0.6
91.05483	5.1
94.46342	0.6
96.04539	0.9
98.06052	1.4
103.05471	1.4
104.06247	5.3
105.07038	3.0
110.06050	3.2
117.07022	0.6
120.08121	21.0
124.04004	0.5
130.06508	0.9
131.04947	13.2
132.08076	0.7
134.09677	1.4
136.07579	4.2
146.05972	2.6
148.07574	1.2
148.11241	2.3
148.58092	0.5
158.09659	1.3
162.05516	1.0
169.57816	0.6
172.11200	1.1
174.12816	0.7
175.08665	2.5
176.10750	7.3
186.09224	2.5
188.10745	2.9
200.10767	7.3
201.11485	5.1
202.12317	2.6
207.14883	0.8
214.08618	0.6
228.10295	0.8
233.05820	0.6
243.11375	0.8
259.18082	9.1
261.19614	7.2
419.75870	0.6
442.18668	0.6
475.92471	0.6
505.09268	0.7
541.31580	4.3
569.31287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2653
Annotation	Bismorphine B
Peak:m/z	Relative Intensity
53.13183	0.8
66.70740	0.6
79.94967	0.7
81.07057	0.8
83.22980	0.8
89.82116	0.7
89.82817	0.7
92.18512	1.0
95.06048	0.8
95.08488	0.7
144.08092	28.6
158.09549	1.1
167.06993	1.1
170.09642	100.0
171.10422	18.4
201.13826	4.8
202.14661	12.4
380.13156	0.7
569.26392	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2233
Annotation	Citrusin B
Peak:m/z	Relative Intensity
55.01891	0.5
55.73860	0.3
57.35951	0.3
65.03959	0.4
68.41852	0.3
70.06609	0.8
71.01349	0.5
79.05505	1.5
91.05492	2.1
98.09728	0.4
100.22485	0.3
103.05498	1.6
105.07040	10.7
107.04987	1.6
108.05761	0.4
109.06509	0.8
111.76864	0.4
118.04182	2.0
119.04969	3.2
121.06524	0.4
123.08077	1.7
124.05211	0.5
125.06022	1.3
128.08911	0.4
131.04950	0.4
133.06494	14.1
135.04417	1.9
135.08035	2.4
137.05995	5.3
147.04477	0.7
149.06006	1.7
150.06773	7.6
151.03918	9.1
151.07555	6.0
153.05472	1.4
155.11816	0.8
161.05995	3.6
163.07552	1.9
165.05421	0.4
165.09119	13.6
167.07033	13.3
168.07761	1.2
177.05507	2.4
178.06155	2.8
179.07010	4.0
181.08582	0.5
181.30995	0.3
193.08609	100.0
195.06531	1.8
205.08621	6.2
211.09653	95.7
212.10417	0.6
234.11211	1.7
255.12018	0.3
357.13339	7.6
375.14346	0.6
407.17047	15.6
472.41208	0.4
569.29846	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	569.1873
Annotation	Mulberroside A
Peak:m/z	Relative Intensity
55.01875	1.2
55.59909	0.5
57.94589	0.6
58.75603	0.6
59.21711	0.5
70.06575	0.9
72.08152	2.6
74.78765	0.6
82.23870	0.8
84.08121	0.7
85.02911	1.0
97.02923	0.8
106.58115	0.6
107.04963	100.0
117.73615	0.6
121.02885	0.9
131.04938	0.9
139.03850	1.0
151.03937	1.0
155.11810	1.0
157.73619	0.6
163.03889	3.7
175.03885	1.4
177.09196	2.2
181.05032	2.2
187.04066	0.8
191.03511	0.7
193.05019	3.1
205.04958	6.9
217.04935	5.8
219.02979	0.9
219.06598	3.1
221.04501	2.5
223.06102	1.4
229.04971	4.0
231.06615	3.1
233.04370	1.2
235.06032	7.1
241.05014	0.9
243.06607	3.3
247.06020	11.2
259.05969	9.1
267.06396	0.9
271.06046	6.5
273.07523	0.9
275.05502	1.1
277.06839	5.2
283.06189	2.2
285.07523	1.2
289.07001	5.9
295.05966	0.9
297.07541	1.3
301.07013	5.0
311.09064	0.8
313.07315	4.5
325.07193	1.3
341.10214	1.2
353.10257	5.0
355.08466	0.7
365.10251	2.6
377.10269	1.4
383.11295	4.3
389.11569	0.7
395.11362	3.3
401.12354	5.6
407.11627	1.2
413.12195	3.7
419.11584	2.8
431.13409	13.9
437.12347	4.4
443.12540	0.7
449.12234	4.3
455.13373	5.2
461.14133	4.5
467.13443	5.6
479.13489	4.1
485.14087	5.9
494.31595	0.6
497.14505	5.7
515.15448	10.6
525.01642	0.7
533.16528	12.5
569.20538	3.6
569.30072	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	568.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
58.06612	0.7
60.08172	10.2
65.30528	0.5
67.05516	1.1
69.07093	0.7
70.06600	1.4
71.07365	1.9
72.08163	4.3
79.05509	0.5
81.07090	2.2
83.91308	0.5
84.08138	1.1
85.06584	0.8
85.85248	0.6
86.09710	36.8
95.08596	0.9
96.02267	0.6
97.06533	0.8
97.10234	0.7
98.98501	0.7
104.10751	82.9
115.62814	0.6
121.10173	0.8
125.00013	14.4
135.11589	0.6
149.65256	0.7
163.01653	0.9
184.07341	100.0
249.18555	0.7
342.13406	1.0
356.15128	1.2
471.24014	0.9
479.21899	1.2
521.42950	0.6
532.30481	1.0
550.31354	7.8
568.32257	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.4
60.08175	4.7
67.05476	0.4
70.06590	2.8
71.07354	0.6
72.08160	3.8
79.05515	0.2
84.08157	1.6
86.09712	21.3
95.08584	0.5
97.06552	2.3
98.06075	0.3
98.98425	0.5
104.10762	4.8
107.08556	0.3
109.10124	0.3
109.16705	0.2
112.11241	1.5
125.00002	10.7
135.11810	0.4
142.62376	0.3
145.10123	0.3
147.11751	0.3
147.83258	0.2
148.66504	0.2
155.11824	0.5
163.03911	1.6
165.05515	0.3
184.07347	100.0
220.09686	2.8
222.11305	0.3
261.11313	0.3
274.14563	0.3
278.08273	0.2
339.12305	1.4
381.13135	0.4
438.19229	0.5
479.21979	1.6
480.20294	1.1
493.23611	0.4
497.22583	0.5
550.30829	3.4
551.27405	1.3
568.31366	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96296	0.4
55.05511	0.9
69.07076	1.3
70.06575	0.6
72.08154	3.0
83.08619	2.2
84.08112	0.6
85.02909	0.8
86.09686	0.7
92.17738	1.0
93.07071	0.7
95.08611	0.9
97.02892	0.7
97.10175	3.4
109.10155	1.1
114.12801	0.7
119.08606	0.7
123.11681	1.0
127.03936	0.7
147.08018	2.3
149.09615	2.1
159.08093	1.2
163.03868	4.3
166.93303	0.5
173.09564	0.6
175.11166	7.0
184.07335	0.7
187.11192	5.5
189.12746	53.2
201.06744	0.6
201.12752	28.0
203.14336	6.3
215.14333	7.6
220.09628	1.1
222.11317	1.2
227.14365	0.5
229.15854	15.8
243.17413	7.7
284.26779	0.7
285.22125	100.0
337.19083	0.6
350.47284	0.6
440.20984	0.7
447.27399	5.9
481.22809	0.6
568.29395	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	568.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	2.1
58.34140	0.5
59.68008	0.5
64.66013	0.5
70.06596	10.0
72.08164	22.4
75.09245	0.9
84.08154	6.6
86.09758	0.5
89.10786	0.7
98.09701	0.8
100.07613	0.6
110.09704	0.6
112.11232	8.8
114.10246	0.6
114.86868	0.6
117.03362	0.5
123.04436	1.1
129.13913	3.9
135.04424	3.9
141.08919	0.5
145.02858	3.0
146.16583	2.5
155.11768	2.7
157.09796	0.8
163.03900	81.8
164.42848	0.6
209.48582	0.5
219.07585	4.5
219.11290	0.6
220.09680	86.9
222.11258	1.0
242.09242	1.2
250.72505	0.6
260.10336	3.4
261.08691	4.7
301.11838	0.9
308.20132	1.1
314.15070	4.2
332.16000	8.1
389.21964	6.0
406.24548	10.6
449.59921	0.6
484.21664	0.7
513.07568	0.6
550.26831	0.9
568.27747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03783	0.7
51.91001	0.6
58.06612	1.5
60.97894	0.6
63.92227	0.6
70.06234	1.2
70.06598	30.6
72.08163	23.1
75.09226	0.8
84.04521	1.8
84.08160	8.5
91.17293	0.7
92.18434	1.1
98.06055	1.4
98.09716	3.6
100.07632	3.8
110.09664	6.8
111.09209	1.2
112.07597	9.4
112.11260	9.1
113.07163	5.0
114.10252	1.4
115.08710	1.0
123.04475	1.0
129.10255	0.8
129.13922	1.5
145.02887	0.8
149.10728	0.8
155.11800	22.5
162.05627	1.0
163.03893	7.2
172.14487	3.8
200.42979	0.8
202.05070	1.8
220.09743	3.9
222.11436	1.0
234.11473	0.8
236.12799	0.8
260.09497	1.4
274.14774	0.9
284.09012	2.7
296.09286	1.7
298.10980	1.0
312.08685	0.9
320.09326	1.5
334.11041	1.1
336.08804	1.6
337.11963	4.1
338.10318	6.5
354.09891	1.9
362.10400	3.6
363.09683	1.2
364.08310	4.2
378.09882	3.5
380.11469	1.5
406.09277	4.4
419.16275	3.9
436.18872	1.2
463.15164	4.9
465.16760	1.0
482.19208	0.9
507.26160	3.0
533.24127	1.9
550.27002	3.2
551.25000	36.1
568.27826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76042	0.6
54.40527	0.7
59.35561	0.8
74.15434	0.9
84.13370	0.7
85.02904	3.1
91.05492	1.4
97.02916	1.8
105.06997	1.2
107.04952	5.4
119.04930	1.1
127.03886	1.7
129.07025	4.9
130.42036	0.7
131.04926	1.8
133.06467	1.3
133.78209	0.8
136.05258	1.1
145.06456	1.5
147.08070	1.7
151.07607	1.7
153.05389	0.8
159.08049	2.9
161.05984	7.4
167.07040	100.0
173.06064	0.9
175.07556	21.8
177.05443	1.1
179.07050	15.5
187.07539	12.6
191.07014	8.8
193.08633	3.8
199.07544	3.6
205.08623	5.4
217.08609	3.1
223.09613	1.0
233.09610	1.4
249.09157	4.1
277.08514	3.5
281.11761	5.0
293.11859	1.0
294.09015	1.0
307.09827	1.3
309.11267	4.3
321.11325	1.5
326.11542	4.3
341.13846	17.1
353.13803	10.2
359.14874	11.6
371.14911	20.7
389.16211	8.9
533.19788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
57.03453	0.6
60.23091	0.3
61.02917	2.2
67.91999	0.4
69.03440	5.0
70.57732	0.3
71.05001	0.6
73.02942	0.7
81.03420	2.1
85.02914	39.5
91.03960	2.9
92.17778	0.3
97.02306	0.5
97.02905	10.8
98.06040	0.7
99.04451	2.2
107.04940	1.7
109.02878	3.8
127.03920	12.1
144.06540	0.9
145.04970	11.7
149.05988	1.9
162.07657	0.5
163.03961	0.6
163.06021	4.5
167.07037	100.0
177.05464	10.8
181.08580	0.9
195.06516	0.7
209.08098	14.2
221.22617	0.4
227.09146	64.8
236.17523	0.4
325.11475	0.7
340.25241	0.5
568.22217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81160	1.1
71.10764	1.0
72.08142	2.5
73.22115	1.1
81.03434	1.5
81.29605	1.1
85.02895	1.3
91.54920	1.4
114.10281	1.6
121.72317	1.4
130.04994	5.4
136.03914	2.6
140.01724	4.0
163.03940	2.3
170.02635	1.5
177.03285	14.6
212.08705	2.9
225.06625	2.1
226.07271	8.8
227.08296	1.5
231.04308	8.5
235.02269	1.9
241.06113	2.9
254.11342	2.4
257.03812	8.3
259.05368	91.7
264.20459	1.2
270.06339	39.0
271.07138	100.0
275.04840	5.3
285.03247	23.4
291.74191	1.3
303.04343	74.6
316.11600	5.3
318.12817	1.4
362.11591	1.7
421.08514	5.7
426.10645	1.4
432.11829	5.0
433.12457	40.1
465.09772	22.1
491.18964	5.7
492.19632	5.3
509.08371	1.7
518.88214	1.4
524.17004	95.1
550.12708	10.4
568.15894	90.9
568.22510	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	567.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90932	2.1
55.05515	12.2
57.07084	3.1
59.99091	1.9
63.43697	1.9
63.67619	2.0
64.09215	2.1
67.05508	43.7
69.03427	4.7
69.07076	24.3
70.06602	20.1
71.05001	35.1
72.08159	5.3
72.09423	2.1
79.05493	9.4
81.03431	4.2
81.07067	65.6
83.08632	21.4
85.02930	22.7
85.06553	17.7
86.09707	10.8
87.00848	5.8
93.07061	21.0
95.08614	91.5
96.08154	4.6
97.02888	5.7
97.10159	14.7
104.10744	17.7
104.52678	2.5
105.01911	4.0
105.07011	4.7
107.08604	19.8
107.75004	2.2
109.02916	4.7
109.10162	55.4
114.09170	35.3
115.09522	3.5
120.08155	2.7
121.10149	45.7
123.11700	25.2
124.99963	4.1
127.03918	15.7
128.66283	2.3
131.04881	2.2
131.08521	2.6
133.10167	4.9
135.11690	30.7
137.13293	4.0
137.46831	2.2
141.10309	3.3
143.08621	2.6
144.08101	2.7
145.10139	9.0
147.11665	4.4
149.13243	18.1
151.14795	4.6
157.09993	4.1
159.02963	3.7
163.03949	2.9
165.16405	3.3
170.09625	4.7
184.07349	22.6
209.16504	13.1
222.53310	2.3
228.16045	4.1
231.05083	3.6
246.50278	2.3
247.24110	4.2
265.25076	16.8
283.20734	5.6
283.26328	100.0
301.21683	4.8
301.27338	43.4
308.57971	3.0
319.28485	36.3
481.97223	2.5
501.18979	2.7
567.09607	21.1
567.29700	34.1
567.43219	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	567.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32769	0.1
55.05510	0.6
58.72633	0.1
60.25839	0.1
70.06593	1.0
83.37235	0.2
84.08135	0.5
85.08942	2.9
86.09711	0.1
100.11263	100.0
103.36762	0.1
123.12664	0.1
149.90169	0.1
321.87958	0.2
381.01138	0.1
435.61255	0.1
465.43246	0.1
522.25946	0.2
567.31818	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	567.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05284	0.7
55.05516	7.5
56.56942	0.7
57.07070	2.1
65.61021	0.7
67.05514	36.0
69.03429	5.5
69.07079	18.1
70.06594	1.9
71.05004	19.0
72.08154	2.1
79.05502	7.5
79.74355	0.7
81.03417	5.8
81.07064	60.5
82.43488	0.8
83.08620	17.2
85.02908	20.3
85.06562	12.4
87.00858	6.3
93.07053	13.5
95.08613	73.7
96.08150	4.3
97.02898	6.2
97.06531	1.7
97.10183	10.6
99.04456	1.9
99.08101	1.6
100.11263	1.5
105.01868	6.6
105.07066	1.1
107.08601	12.0
109.02872	9.6
109.10164	41.4
111.11725	3.3
113.10780	1.5
114.09175	32.3
115.09475	1.3
118.99801	0.9
119.08638	1.0
121.10147	36.2
123.11720	18.7
126.62011	1.0
127.03930	13.8
135.11702	26.9
137.13249	7.1
145.04973	1.1
149.13272	12.3
151.14824	4.8
159.02940	1.2
163.14813	1.5
164.66312	1.0
165.16406	1.9
177.05606	1.0
183.17451	1.0
191.18042	1.1
209.16528	5.0
213.03838	1.2
226.19218	1.5
227.17566	2.0
228.15965	7.5
231.05093	2.1
247.24225	6.9
257.63519	0.9
265.25162	11.7
283.26321	100.0
301.27386	36.2
308.66391	1.1
319.22794	1.7
319.28467	29.5
322.24976	1.7
341.24707	1.4
422.37454	1.2
451.30396	1.1
477.28607	2.1
495.29504	1.1
513.30487	2.0
566.92804	11.4
567.29388	7.2
567.41766	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	567.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70954	0.7
53.03372	0.6
53.03948	0.9
55.01867	1.4
57.03445	0.8
67.05503	3.1
69.03423	5.8
69.07082	1.0
70.06575	0.8
71.04990	1.2
73.02935	1.3
78.10825	0.8
79.43721	0.6
81.03431	5.4
81.03857	0.7
81.07063	7.3
81.73244	0.6
85.02908	13.4
85.45106	0.7
87.00833	3.7
93.07014	1.0
95.08621	6.8
97.02894	4.9
97.10161	1.0
99.04472	3.5
105.01868	5.2
105.07034	1.0
106.99789	0.8
107.08607	1.3
109.02883	5.1
109.10182	6.4
119.08594	1.4
121.10135	3.4
123.04431	5.0
123.11716	27.2
127.03899	7.9
130.35170	0.8
135.11638	0.8
137.09644	0.8
137.13263	4.4
145.04997	3.0
145.10170	1.1
149.05989	3.4
149.13264	3.0
159.02872	3.8
163.03899	0.9
163.07518	8.2
165.09116	100.0
179.10689	4.5
185.58806	1.0
189.09070	2.4
191.10690	7.9
203.10713	1.2
205.12254	38.9
217.12265	3.0
231.13783	5.5
249.06108	0.9
259.17035	1.2
259.20657	4.4
271.20615	1.2
283.20621	1.5
301.21634	45.9
301.24939	1.5
301.27084	1.4
319.19153	1.5
319.22519	9.1
366.50775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	4.0
70.06583	5.4
77.03933	2.6
78.04707	2.3
79.05505	3.7
81.03386	2.7
81.07040	3.1
86.09647	2.7
89.75227	2.2
91.05473	4.2
93.03414	4.5
95.08624	4.4
103.05482	3.0
105.07016	4.8
107.04958	14.4
109.10171	2.5
111.04450	4.3
114.09194	3.0
115.05474	4.0
119.04919	4.7
119.08578	4.1
123.04414	4.3
125.05991	12.6
129.07027	10.7
131.04903	4.5
133.06493	13.3
137.05975	9.5
143.07318	3.0
144.08083	15.0
147.04417	5.3
153.05492	37.6
155.40244	2.6
158.09657	3.0
159.08099	5.8
161.05983	16.9
167.07051	100.0
168.07872	2.6
170.09659	17.4
175.07483	22.2
179.07082	8.7
187.07591	20.6
189.05418	4.8
191.07028	10.2
199.07539	10.0
203.08562	3.0
216.07837	3.3
217.08466	2.5
219.08148	2.7
231.08057	4.1
233.09822	2.5
248.08328	3.2
249.09140	4.9
251.10678	5.0
261.09155	4.7
263.10712	3.2
264.07874	4.8
276.07928	11.2
277.08563	5.3
279.10040	3.4
281.11731	11.1
283.26169	3.0
289.08661	2.5
291.10098	10.2
293.08093	2.8
301.27417	3.3
307.09705	16.6
308.10498	11.0
309.11264	10.2
319.09735	3.5
321.11151	4.2
339.12302	59.3
341.13791	27.7
351.12442	25.7
353.13870	13.0
554.12256	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	567.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63705	2.9
51.47298	3.0
80.25644	3.7
105.07016	9.0
107.04953	15.4
111.04473	5.1
114.09141	17.6
116.00831	4.0
119.04997	5.3
125.05968	6.3
129.07013	5.0
131.04918	6.1
137.05960	5.9
139.29468	3.8
144.08011	5.7
147.04372	5.3
153.05487	17.9
159.07988	5.6
161.05893	5.9
167.07027	100.0
170.09660	19.4
175.07544	28.1
187.07558	23.2
189.05481	5.1
191.07028	8.9
233.09674	5.3
247.07462	5.0
265.08441	4.6
276.07813	7.7
277.08780	4.5
281.11667	8.2
291.10059	4.1
293.11682	5.1
307.09680	8.7
308.10568	5.8
309.11151	6.8
311.09073	5.1
321.11041	6.8
337.10828	4.2
339.12189	37.5
341.13788	37.5
351.12305	16.1
353.13861	9.2
437.52072	5.1
567.27588	8.3
567.43207	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	566.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95770	0.4
69.07059	2.0
77.47334	0.4
89.38680	0.4
96.08135	11.9
112.78307	0.5
113.10764	6.9
114.09176	53.9
115.07592	0.6
116.70391	0.5
120.35751	0.5
132.10223	1.0
208.18114	1.8
209.16496	36.5
210.15012	1.0
226.19128	12.3
227.17532	7.2
228.15956	16.1
321.26538	3.1
322.24890	18.0
339.27545	7.2
340.26105	2.0
341.24298	3.3
401.43268	0.5
434.34604	0.8
435.33411	5.4
452.35904	0.7
453.34213	2.8
548.41882	7.5
566.42804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49237	2.6
51.77975	2.3
59.50096	2.4
60.27035	2.2
61.02943	2.7
70.06579	3.1
71.24783	2.3
72.08148	5.2
84.08141	4.6
84.48757	2.5
85.02875	13.1
97.02901	4.9
103.95255	2.9
107.04957	3.2
108.07975	2.4
119.94144	2.6
121.02851	14.5
121.06465	4.5
134.64749	2.6
135.04425	3.4
139.03845	4.5
140.76996	2.5
147.04398	12.5
153.01859	3.3
163.03896	36.2
165.01859	4.7
165.05457	2.8
183.02933	3.9
186.09134	4.8
187.03879	3.5
187.09940	2.8
189.01811	18.6
191.03349	3.7
195.02901	24.3
201.01842	3.2
201.05612	4.0
203.03384	10.5
205.01369	4.4
207.02831	32.4
215.03482	4.1
219.02882	68.3
221.04427	4.4
223.02423	4.9
225.03943	13.8
227.03452	5.4
229.05029	6.5
231.02879	72.1
233.04480	12.9
237.03918	12.2
239.97711	2.8
243.03043	32.3
245.04504	6.1
249.03949	28.4
255.02879	5.2
257.04431	14.7
259.02280	10.7
259.06055	2.8
261.03958	100.0
269.04547	11.3
273.03873	47.0
279.05026	12.4
285.03940	43.8
287.05527	3.0
289.03592	3.0
291.04941	33.8
297.03940	27.0
297.07532	10.8
299.05325	5.7
303.04977	11.1
309.06522	11.1
315.05173	25.5
327.04968	34.0
327.08643	11.6
333.06079	9.7
339.08481	11.2
345.06091	11.7
351.08685	16.2
357.06073	4.1
363.07684	12.7
367.31662	3.3
375.07166	17.9
381.09662	14.8
393.08127	19.0
399.10739	31.7
405.09207	3.3
411.09888	33.5
417.11084	4.1
423.10721	4.8
429.11777	59.0
435.10803	4.8
441.11908	6.8
447.10938	3.0
453.11948	12.1
459.12848	32.5
465.11926	6.4
473.64304	3.1
477.11319	4.4
483.12778	12.6
495.12823	25.3
513.14081	41.7
531.14990	17.9
567.13202	6.2
567.26410	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90373	0.2
62.92124	0.3
63.67896	0.3
69.03413	0.3
69.07076	5.6
70.06583	0.5
72.08152	0.6
79.05505	2.1
79.68797	0.3
79.83273	0.3
85.02902	0.4
86.09709	0.3
96.08138	24.0
97.02850	0.3
97.06540	1.2
98.09654	0.4
100.40891	0.2
100.41533	0.3
105.07031	1.0
113.10778	13.9
114.09173	81.0
115.07549	1.4
117.34119	0.3
120.05450	0.3
132.10210	3.1
133.06490	0.6
138.53375	0.3
161.05991	1.8
162.06320	0.4
163.03845	0.3
167.07034	10.2
168.07368	4.2
192.13766	0.4
193.08615	1.7
194.08978	0.6
208.18100	2.4
209.16502	41.0
210.14845	1.3
210.16696	0.4
211.09708	1.0
221.08119	0.3
223.06113	0.6
226.19138	11.8
227.17537	9.0
228.15948	21.3
245.18575	2.3
321.26511	1.4
322.24854	10.5
339.27606	2.8
340.25909	3.2
341.24277	2.7
435.33389	4.3
453.34421	5.3
454.32568	0.4
548.41541	4.7
566.28101	2.8
566.42792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74822	0.7
58.06610	4.1
60.08175	51.0
62.06072	0.7
64.71082	0.6
67.04240	0.6
67.05519	3.3
69.07082	5.2
70.06601	4.8
72.08161	5.3
74.02455	1.4
76.14614	0.8
79.05498	0.8
84.08140	9.8
85.02915	1.0
86.09710	8.9
93.07072	4.0
95.04978	5.6
95.08612	1.1
96.08185	0.8
97.06536	8.2
105.07011	1.2
108.08163	1.2
109.10138	1.2
110.06059	3.4
112.07632	1.6
113.10791	1.8
114.09173	21.4
121.10160	1.4
123.04399	0.9
130.08635	1.5
132.10219	0.8
138.88026	0.8
141.10300	3.6
147.04451	1.1
147.11732	0.8
151.03960	5.4
163.03928	3.7
164.07109	1.7
167.08186	1.3
175.03923	5.0
177.05476	0.9
180.13828	10.2
184.07417	0.9
187.88051	0.8
205.08688	4.5
208.13417	1.4
209.16573	3.7
217.08609	9.6
223.14539	3.5
226.14494	3.4
228.16010	1.9
234.11302	1.0
235.09750	4.0
252.12442	4.8
269.15015	1.1
283.20499	0.9
299.13812	1.0
300.14273	1.1
300.20511	1.5
322.25052	1.5
416.26190	0.9
566.34583	100.0
566.42804	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	566.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.3
67.73385	0.3
69.03430	0.7
70.06618	0.3
72.08163	0.5
73.02897	0.3
81.03400	0.4
84.08121	0.5
85.02910	5.3
85.04278	0.3
85.95442	0.3
89.03882	0.6
91.03894	0.3
97.02891	1.5
100.07631	9.2
110.09637	1.2
115.54449	0.3
117.03371	1.2
126.12794	40.2
127.03937	1.6
135.04422	3.9
145.02875	5.7
145.04924	0.7
154.12286	0.6
163.03903	100.0
169.13397	1.1
171.14880	4.0
183.18608	0.4
224.21210	1.8
225.19623	2.5
242.22255	8.7
245.75209	0.3
293.23163	0.3
303.16800	0.3
333.18210	0.3
336.75540	0.4
404.25629	2.4
566.30786	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43273	0.3
69.03407	0.5
69.69267	0.3
70.55204	0.3
72.08125	0.4
81.03398	0.3
84.08145	0.8
89.03916	0.4
100.07623	15.2
110.09679	0.7
112.11236	2.2
112.90900	0.4
117.03363	1.9
126.12796	39.4
127.03909	0.4
129.10286	0.7
135.04436	4.0
143.11772	1.7
145.02855	14.5
154.12270	1.4
163.03902	100.0
171.14934	3.4
177.05466	26.3
210.19614	3.8
224.21266	0.8
225.19646	0.8
228.20667	0.6
234.11240	7.7
242.22345	3.7
316.46640	0.4
333.18118	2.1
393.40286	0.4
404.25558	1.8
430.70068	0.4
564.75006	0.5
566.30756	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03440	1.7
61.02938	2.9
62.29213	0.3
67.05515	0.5
69.03432	5.3
71.05002	0.5
72.08163	0.6
73.02923	1.3
79.05521	0.6
81.03420	2.0
81.07058	0.4
83.04558	0.3
83.04979	2.4
84.05656	0.5
85.02912	49.3
87.04459	0.7
91.03955	2.2
92.18375	0.3
93.07072	0.6
95.08607	0.7
97.02903	11.8
97.06526	1.5
99.04480	2.2
99.08100	0.5
103.03965	0.4
104.43108	0.3
107.08598	1.2
109.02890	3.9
109.06514	2.2
109.10141	0.4
111.04472	0.6
111.08091	0.4
119.08588	1.5
121.06486	0.5
121.10159	4.1
123.08073	100.0
127.03922	12.4
133.10143	1.4
135.11720	1.4
137.09607	0.6
142.34999	0.3
145.04968	16.2
145.10167	0.6
147.11700	0.7
149.09634	3.9
151.03932	3.1
151.11191	8.6
152.04300	0.4
161.13257	0.8
163.05998	4.9
163.11203	3.1
165.12759	0.5
167.07059	2.3
167.10628	3.4
179.04108	0.4
179.14410	0.3
181.12274	6.0
186.09328	0.4
189.12785	1.7
205.92212	0.4
207.13803	4.9
225.14856	44.2
225.69258	0.4
226.15446	1.3
289.09143	1.3
325.11288	9.5
329.26456	0.3
338.07529	0.4
371.89023	0.3
387.20154	2.1
404.07919	0.4
566.28967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55780	0.4
59.09337	0.4
67.05516	8.0
72.08157	0.6
77.93829	0.5
79.05512	2.2
81.07091	0.7
82.15778	0.5
83.39779	0.4
84.04534	0.5
84.08159	1.0
84.82888	0.4
90.59516	0.4
92.08147	0.5
93.07053	5.5
95.08616	2.6
107.04945	0.6
107.08606	4.9
108.55759	0.4
109.06544	0.9
109.10168	14.3
109.10873	0.8
110.06050	0.6
110.09683	2.2
117.07025	1.0
123.08079	2.0
124.11238	5.8
128.07095	0.6
134.09688	6.3
135.08067	14.4
152.10715	96.2
153.09131	2.8
170.11763	100.0
180.10165	5.2
198.11269	27.5
212.88275	0.5
216.12317	88.8
309.66858	0.5
368.96945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
61.02911	0.8
69.03436	4.1
70.51160	0.4
71.04969	0.4
72.08150	0.6
81.03423	1.0
84.05638	70.8
84.08121	1.6
85.02914	15.1
87.04456	0.9
88.11250	0.5
95.08572	0.6
96.05614	0.5
97.02894	5.9
99.04439	1.7
105.22211	0.4
109.02874	1.8
110.07138	2.7
120.48521	0.4
126.56586	0.4
127.03912	5.0
129.10220	0.6
129.24901	0.4
130.85646	0.4
145.04953	1.9
147.08008	0.5
164.73366	0.4
165.09041	0.5
178.13393	5.6
206.12927	1.7
224.13943	60.6
239.75421	0.5
242.14996	82.1
257.87396	0.6
284.16144	1.0
303.86517	0.4
306.61902	0.5
328.93079	0.4
381.35754	0.5
404.20316	6.1
566.25629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29762	1.6
52.96875	1.6
53.03944	3.5
55.01873	4.4
57.03432	2.0
60.08160	10.5
61.02917	7.9
69.03442	30.5
71.04963	2.2
72.08131	3.1
73.02928	3.3
81.03436	21.3
85.02913	100.0
85.03426	3.9
86.09706	3.5
87.00834	37.3
92.18421	2.3
97.02892	32.0
97.06467	2.3
99.04450	20.6
105.01870	33.3
107.04959	70.4
108.04503	3.1
109.02882	31.9
114.09136	2.7
119.04945	10.1
121.02872	4.1
121.06491	41.2
123.04430	3.4
125.61369	2.0
127.03920	59.6
129.01852	2.5
131.04910	12.3
133.06514	20.4
145.02861	1.8
145.04962	16.1
145.06482	3.3
147.08044	23.3
159.02921	14.9
159.08049	29.9
163.03922	2.8
169.06578	2.1
170.09685	2.1
177.05473	2.3
177.09048	1.9
181.33244	1.8
183.08049	7.3
201.09174	1.8
207.08095	2.4
223.11317	2.5
225.09102	73.2
227.10696	11.9
231.04953	6.9
237.09126	3.5
239.10730	10.8
249.09111	8.0
251.10811	12.5
253.12274	45.0
261.09213	2.4
263.10666	2.4
265.12186	2.5
267.10175	4.2
271.13290	92.7
277.12204	7.1
281.11792	8.3
283.13272	7.6
291.10214	2.2
295.13306	40.7
313.14297	41.7
325.14685	2.0
337.14297	23.3
361.14291	10.8
379.15372	15.2
447.14734	2.3
465.15555	15.1
483.16647	46.3
501.17551	29.3
519.18585	8.8
566.22198	3.0
566.35541	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	566.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01868	1.1
57.03433	2.3
61.02932	5.5
63.72636	0.4
69.03432	8.3
71.04967	0.8
73.02910	0.7
81.03426	3.7
85.02908	63.6
87.04435	0.9
91.03937	2.9
91.05512	1.0
97.02889	19.1
98.06059	0.5
99.04453	3.5
101.02345	0.5
101.35329	0.5
103.03922	0.6
109.02880	5.3
115.03875	0.8
119.04926	5.8
121.06567	0.6
127.03912	13.8
144.06572	2.0
145.04965	19.0
147.04413	7.5
163.06013	9.6
167.07016	0.5
175.03906	39.4
180.08617	0.6
180.27240	0.4
181.82187	0.4
192.04208	4.3
193.04980	2.5
207.06523	100.0
225.07570	58.3
289.08911	0.5
324.12906	0.8
324.94992	0.5
325.11301	2.8
358.39294	0.5
369.11557	0.5
496.02792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58173	0.6
56.07845	0.7
63.64357	0.8
69.16555	0.7
70.06599	4.3
71.05008	1.3
72.04520	1.3
72.08168	8.7
72.60363	0.7
76.03802	0.6
84.07678	1.4
84.08155	28.0
85.02916	1.0
89.91439	0.8
95.04931	0.9
100.07645	1.8
110.06071	0.9
112.07657	0.8
112.94101	0.9
114.09173	33.4
115.08697	1.2
127.08696	1.5
127.13216	1.0
143.11809	48.5
146.09731	1.0
147.08061	1.0
157.09737	1.4
173.12881	1.2
193.13403	1.4
195.12971	0.8
223.14342	1.4
224.13861	2.6
238.32817	0.8
239.15015	1.3
242.15010	1.0
278.18478	1.0
327.27545	0.8
371.14923	0.8
373.24445	1.1
429.47345	0.8
449.18964	1.1
457.26898	1.6
475.27682	2.0
488.22281	1.3
505.24777	1.2
506.23712	6.8
506.45163	1.0
523.25140	1.2
547.26538	1.1
565.27228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72266	1.1
53.03957	2.2
54.35943	1.1
55.01879	2.1
55.05510	1.4
57.03449	32.6
61.02937	11.9
67.05499	7.9
69.03433	16.0
69.07062	2.0
71.04987	2.9
73.02882	1.9
79.05469	1.5
81.03432	17.3
81.07080	13.9
81.19981	1.2
83.08607	5.2
85.02410	2.5
85.02905	47.6
86.09710	1.5
87.00845	15.1
95.08601	21.5
96.63786	1.4
97.02895	11.8
97.06527	1.6
97.10123	2.0
99.04467	10.3
105.01884	13.7
107.05014	1.3
107.08580	1.7
109.02885	31.5
109.10167	13.1
117.05497	100.0
123.11694	1.9
127.03915	35.4
135.11723	1.3
145.04964	8.0
147.02895	1.5
159.02866	8.0
159.04189	1.2
165.16431	2.3
183.17470	2.4
189.16296	1.8
201.18481	11.0
213.03970	2.0
229.01909	1.4
231.05031	8.5
294.53128	1.4
299.22256	18.0
309.20660	1.7
365.10764	11.9
413.21899	5.0
431.22693	1.9
547.27460	8.8
565.27759	6.5
579.08429	1.5
593.04779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98154	0.3
51.25473	0.3
55.01870	1.8
58.06597	0.6
61.02922	0.6
69.03436	0.4
71.42948	0.3
73.02894	0.4
75.67762	0.4
76.40772	0.3
77.28635	0.3
85.02913	2.8
97.02892	0.4
103.03944	1.4
121.02860	9.3
131.83308	0.4
145.02879	0.7
160.07573	31.7
160.08916	1.0
163.03891	0.4
163.21669	0.5
170.09604	1.9
172.60046	0.4
174.09161	0.7
186.09140	100.0
187.09923	42.4
203.11754	0.8
211.12294	0.4
217.13339	3.3
217.33475	0.4
218.14137	55.0
219.02980	0.9
220.45824	0.5
229.04691	0.4
231.02901	0.4
234.60172	0.4
279.06699	0.4
283.05978	2.1
294.05170	5.2
295.06000	40.4
296.06689	0.4
297.07492	0.7
305.08011	0.5
307.06009	19.2
307.09155	0.8
308.06696	3.9
309.07596	6.5
311.06042	0.6
313.06998	2.9
317.08136	1.7
317.18591	24.5
319.06122	1.9
320.06644	2.7
321.03836	0.9
321.07565	16.6
322.08527	0.5
323.05518	1.8
323.09149	2.0
325.07056	39.2
329.08160	2.6
333.07556	8.6
334.08417	1.8
335.05621	0.9
335.09106	15.4
336.06381	2.7
337.07056	38.7
339.08725	3.4
345.07568	9.3
347.09146	2.0
348.06543	0.6
349.07062	31.3
351.08606	15.8
355.02988	0.5
355.08133	4.7
359.09122	0.8
361.07031	19.0
361.10330	0.9
362.08105	0.7
363.08615	20.7
367.08167	4.8
371.09564	0.5
373.06976	9.4
373.10852	0.8
375.04794	0.4
375.08755	5.9
377.06445	0.5
379.08109	29.6
381.09521	0.6
385.09164	0.6
387.08493	4.0
389.10342	1.5
391.08115	37.9
393.09561	0.9
399.08530	1.5
401.10364	3.3
403.08249	4.9
405.09625	2.1
409.09186	24.0
409.14578	0.9
415.07999	6.2
417.09494	1.8
421.09348	2.7
427.10275	49.2
429.09671	1.6
433.09033	3.3
435.10876	0.5
439.09918	0.7
445.10458	3.5
457.11160	4.3
462.54675	0.4
463.10138	2.3
475.12161	7.3
481.11292	7.1
493.11383	3.3
499.12234	9.0
504.04538	0.5
511.12378	33.9
521.24957	7.3
529.13428	34.4
547.14453	33.7
565.15375	21.7
565.23828	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2246
Annotation	Bistratamide J
Peak:m/z	Relative Intensity
52.64516	0.3
53.22941	0.4
57.03434	1.5
61.02917	1.8
69.03429	6.3
71.04989	0.7
72.86730	0.4
73.02911	0.7
78.09553	0.4
81.03416	2.0
85.02416	0.7
85.02911	19.6
87.04472	1.7
91.03931	0.6
97.02890	7.5
99.04462	0.8
103.03940	0.5
109.02863	2.5
112.37458	0.4
127.03915	6.1
135.75145	0.4
136.07594	0.8
145.04974	2.0
145.07651	0.6
146.06012	47.4
148.06366	0.5
149.43315	0.4
161.07120	0.9
163.08656	100.0
164.07059	44.0
164.08517	0.9
175.28455	0.4
181.09714	11.6
195.08319	0.4
205.09715	14.4
223.10777	9.2
241.11807	12.7
253.05458	0.7
300.48273	0.4
326.12332	14.6
343.15018	1.6
383.16476	0.4
385.16217	1.8
390.05954	0.4
403.17148	8.2
414.62665	0.5
498.13144	0.4
547.21332	5.0
565.22394	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	565.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
74.53633	1.5
74.65392	1.8
79.64050	1.6
85.02907	4.1
97.31339	1.7
98.45528	1.8
105.28422	1.9
107.11528	1.8
109.02891	2.2
120.38857	1.8
121.02874	59.1
122.48138	1.6
126.56890	1.9
128.88560	1.8
131.04950	2.6
137.06004	4.2
148.32620	1.9
151.03906	2.6
161.24686	1.9
163.03893	8.6
170.09641	2.9
173.05942	1.8
201.05385	2.1
205.05009	4.2
217.04985	2.4
219.02888	7.1
231.02931	9.0
243.02922	3.5
247.06042	2.3
261.03964	9.2
271.06039	2.8
273.04092	2.9
283.05905	4.0
285.03888	4.0
294.05374	10.0
295.05994	74.8
307.06003	53.7
307.09439	2.8
308.06876	8.7
309.07657	12.9
313.07159	4.4
315.04974	3.4
319.06122	3.6
320.06870	6.6
321.07562	35.6
322.08319	2.3
323.05594	3.3
323.09082	6.2
325.07059	100.0
333.07523	24.3
335.09158	20.2
336.06268	4.3
337.07028	96.1
345.07654	17.6
347.09372	7.1
348.06363	2.3
349.07019	63.5
349.11063	2.2
351.08713	28.7
355.08215	8.9
359.09082	6.6
361.07034	38.2
363.08652	27.5
365.10184	7.8
367.08200	8.4
373.06946	13.4
375.08725	11.5
377.10349	4.0
379.08093	88.5
381.10333	2.0
387.08478	8.5
389.10318	3.5
391.08182	56.7
393.08911	2.9
397.09097	9.9
401.10181	4.1
403.08191	22.0
405.09802	4.4
409.09204	32.5
411.09369	7.6
415.09308	7.9
417.09555	4.3
419.11215	2.7
421.09238	10.6
427.10336	62.0
429.10004	3.2
433.09061	12.6
439.09918	7.7
445.11108	20.9
451.10193	10.7
457.11337	26.6
463.10019	2.6
469.11273	21.3
475.11307	9.7
481.11243	23.2
493.11124	10.9
499.12299	27.6
511.12296	54.5
529.13379	61.6
547.14447	83.9
565.15460	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1553
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
52.74227	1.4
56.32667	1.4
57.47421	1.3
61.02926	2.0
73.71703	1.5
85.02897	2.2
93.18800	1.6
100.67104	1.5
118.12172	1.7
121.02851	12.1
150.17691	1.5
219.02663	1.7
283.05969	6.7
294.05457	13.7
295.06027	67.7
307.06012	48.3
308.06799	7.8
309.07635	10.8
313.07083	2.7
319.06018	3.1
321.07544	20.8
322.08319	3.5
323.09140	2.4
325.07080	95.3
333.07645	14.5
335.05716	1.8
335.09125	13.1
336.06094	2.2
337.02960	2.9
337.07056	77.8
347.09094	14.1
349.07062	46.8
351.08636	31.7
353.06079	2.0
355.08130	9.7
361.07077	20.0
363.08569	14.0
365.10229	12.0
367.08179	10.3
373.07028	8.3
375.08554	14.3
377.10529	3.0
379.08109	100.0
385.06827	2.4
387.08612	9.2
389.10330	2.1
391.08157	29.2
393.09961	2.1
397.09262	20.2
401.10181	3.8
403.08109	25.6
405.09595	8.5
409.09244	14.1
415.09436	9.4
417.09619	2.0
419.11359	3.8
421.08902	11.7
427.10117	11.3
433.09335	13.9
439.10040	3.9
445.11414	31.7
451.10156	9.8
457.11414	41.8
469.11307	28.3
475.10367	3.5
481.11356	19.5
493.11307	17.4
499.12347	35.3
511.12384	21.3
529.13464	43.4
547.14496	87.2
565.15619	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89265	1.7
53.75296	1.6
65.70959	1.7
70.06571	2.6
70.16696	1.9
71.94934	2.0
85.02882	2.9
91.14985	2.0
92.17775	2.5
121.02879	13.7
151.03918	9.7
167.07025	3.9
278.99875	3.0
283.05942	3.6
294.05142	10.3
295.06030	65.7
307.06012	46.9
308.06915	4.8
309.07681	10.3
313.07120	2.9
321.07541	19.3
322.08469	2.9
323.09171	3.9
325.07047	82.0
333.07599	13.2
335.05597	3.3
335.09341	9.9
337.07047	66.2
347.09164	4.8
349.06989	40.3
351.08664	35.9
352.84570	2.6
355.08160	4.0
361.06982	16.2
363.08643	9.8
365.10226	17.0
367.08203	9.8
373.06992	11.6
375.08524	10.4
377.10248	2.9
379.03311	3.7
379.08154	100.0
385.07053	4.5
387.08386	3.5
389.10138	4.1
391.08142	21.4
397.09186	14.8
403.08023	20.4
405.09641	8.3
409.09378	18.1
415.10001	4.8
419.11496	3.2
421.09076	2.7
427.10101	12.6
433.09167	13.3
439.10168	4.5
445.11221	31.6
451.10281	10.6
457.11307	36.9
469.11340	24.1
481.11465	23.6
493.11597	10.3
499.12473	27.2
511.12473	23.6
529.13434	47.7
547.14551	60.9
565.15497	24.9
565.24158	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	565.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39519	1.3
58.40739	1.1
70.81896	1.3
73.02924	1.5
75.42908	1.2
85.02907	1.6
96.38979	1.4
103.03902	1.8
115.55463	1.3
121.02890	10.6
126.23833	1.2
156.68985	1.4
185.43565	1.4
214.21719	1.4
251.30276	1.3
269.28262	1.4
283.06021	2.1
294.05206	10.8
295.06009	49.7
295.09256	2.2
307.06033	29.4
308.06937	2.3
309.07635	8.8
313.07187	2.6
317.08246	1.9
320.06738	2.5
321.07526	27.2
325.07083	52.7
329.08090	2.2
333.07520	14.2
335.09161	18.7
337.07065	60.0
339.08630	3.0
345.07462	13.0
347.09030	3.2
349.07074	49.0
351.08554	24.2
355.08203	8.1
361.07028	29.3
363.08609	24.5
365.10300	2.0
367.07935	5.8
373.07074	12.6
375.08719	8.7
379.08194	48.4
387.08627	6.6
391.08099	48.5
393.09784	1.8
399.08249	2.0
401.10413	2.6
403.08325	10.3
409.09174	41.4
415.08255	3.1
421.08850	1.6
427.10254	100.0
429.09564	3.0
433.09332	6.2
445.10648	2.7
457.10928	6.1
463.10229	2.3
475.12155	11.4
481.11295	13.6
493.10989	5.6
499.12396	17.3
511.12372	65.6
529.13373	69.6
547.14453	62.7
547.20654	1.4
565.15564	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	563.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.1
58.06182	1.6
58.21737	1.7
61.31661	1.8
67.05507	3.8
68.19969	1.7
69.07066	4.6
71.05086	1.9
81.07065	2.2
95.08591	4.1
95.46242	1.9
102.37336	1.9
105.07017	3.5
107.08576	3.0
115.07583	3.2
117.03378	4.6
117.07032	1.9
119.08559	3.0
133.10124	3.6
145.02864	58.5
145.10130	4.4
147.11681	10.1
150.83191	1.8
159.11624	3.3
161.13226	20.0
164.13187	1.8
173.13263	3.1
177.05470	100.0
192.22328	1.8
198.40871	2.1
248.56978	2.1
251.09235	3.4
255.21092	35.3
297.03860	3.1
351.25272	8.7
387.28973	26.0
395.29437	7.8
413.30310	7.4
421.49084	2.0
429.26447	3.3
434.32361	1.9
484.98441	2.0
545.31134	2.7
545.38312	2.4
563.30609	11.3
563.73450	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	563.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39732	1.0
61.67476	1.0
62.08676	1.1
62.99601	1.0
71.99570	1.1
86.86523	1.2
95.08679	1.2
111.01529	1.3
111.69676	1.2
120.59454	1.4
135.32716	1.2
295.40231	1.3
390.00397	1.3
464.46094	1.3
563.31927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	2.2
66.44601	0.2
69.07084	1.8
70.06596	1.0
72.08161	1.2
75.71267	0.2
84.08160	1.1
85.08934	2.5
86.09694	0.9
86.46812	0.2
114.12815	100.0
163.03951	0.8
197.25082	0.2
222.11154	0.2
224.04637	0.2
280.52316	0.2
330.84552	0.2
425.21674	0.2
518.28143	0.2
563.26355	1.0
563.34479	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	563.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53194	0.3
64.38353	0.4
70.06590	0.4
71.14119	0.4
81.07021	0.5
84.00517	0.3
84.05637	61.3
95.08591	0.4
99.35147	0.4
104.41457	0.4
107.08613	0.8
109.06554	0.3
110.84602	0.4
114.12810	7.1
121.10126	0.8
123.08076	0.7
123.11709	0.4
151.03905	1.7
167.07053	0.7
208.14467	5.7
226.15512	100.0
401.26987	4.8
533.21216	0.5
563.16730	0.8
563.25568	0.5
563.34467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10469	1.8
69.03435	2.0
70.06601	2.2
89.60018	2.1
103.28304	1.8
110.06079	2.2
111.19395	1.9
120.62129	2.0
122.06058	3.5
124.07608	8.3
127.03932	2.4
163.03969	2.8
164.07185	3.0
192.71957	1.8
225.10146	1.9
241.13438	11.1
258.13702	8.8
259.14465	10.9
284.11633	13.0
285.12350	100.0
287.10110	2.2
296.08261	2.1
297.03958	21.7
297.18393	3.7
315.04980	26.4
382.21338	11.1
388.95361	1.9
408.19156	33.3
422.20944	3.2
545.27643	8.8
563.28662	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	563.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54993	0.1
55.05524	2.5
59.03205	0.1
67.30736	0.2
70.06600	1.0
71.07370	1.2
72.08163	0.2
84.08143	0.2
85.02910	0.2
86.09713	100.0
91.05495	0.4
118.06549	2.8
120.08118	0.8
129.78296	0.1
146.06050	0.6
148.07582	0.3
164.07126	0.7
174.05493	3.7
192.06573	1.1
236.82018	0.1
275.13907	0.2
277.15479	16.4
338.10193	0.2
401.20731	10.5
555.03918	0.2
563.26031	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.3
70.06580	0.4
71.01954	0.3
79.41628	0.3
84.04497	1.9
84.05640	0.5
84.08115	0.3
88.11266	3.0
95.04943	0.3
98.06036	0.5
108.02136	0.4
119.04941	0.4
119.53303	0.3
137.05959	0.4
140.08328	0.3
141.05481	1.2
147.04382	1.2
151.03917	100.0
151.04959	4.4
153.13879	2.3
154.12212	0.4
171.14934	6.7
179.07065	0.5
188.94231	0.3
199.12791	0.4
199.14430	11.3
200.12845	0.5
226.15556	1.4
270.16544	0.3
283.09802	0.7
299.09219	3.7
311.09198	1.3
315.08481	0.5
321.07642	0.4
329.10187	8.0
347.11292	4.3
367.18597	0.6
515.24359	2.4
527.23840	1.2
545.25128	2.6
563.26160	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	563.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45596	0.2
78.22715	0.2
84.04498	1.8
88.11279	3.6
98.06039	1.0
108.02118	0.5
119.04947	0.5
141.05476	1.1
147.04404	0.6
151.03915	100.0
151.04950	4.3
153.13884	1.6
154.12238	0.4
157.67242	0.2
171.14934	6.1
176.31107	0.3
199.14432	11.3
200.12917	0.5
203.42044	0.2
283.09564	1.0
299.09213	2.3
309.28751	0.3
311.09201	1.5
329.10187	7.6
339.20197	0.3
347.11252	4.0
367.18896	0.4
367.97156	0.2
515.24121	1.8
545.24591	2.1
563.25995	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	563.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64335	0.4
57.58757	0.4
58.15040	0.4
62.90321	0.4
68.05032	0.7
70.06593	10.6
72.08164	43.3
81.03416	0.6
81.52866	0.5
84.18430	0.5
85.02898	0.8
89.10802	11.7
98.06059	2.3
113.07127	0.8
115.08685	0.7
126.70492	0.5
147.04491	0.8
165.00125	0.7
167.07025	5.3
183.24887	0.5
201.39513	0.5
217.08638	2.9
225.05492	0.8
231.10204	1.0
235.14415	0.5
249.05441	0.8
253.05048	0.8
255.06535	1.1
265.05087	1.8
269.04562	2.0
279.02963	3.0
279.06555	2.4
281.04587	2.8
283.06030	24.9
283.09195	0.9
293.04510	8.6
295.02490	0.7
295.05951	0.6
297.04034	2.1
303.02979	3.7
307.06113	2.9
309.04010	2.5
309.07428	1.0
311.05502	20.7
319.02344	1.8
320.03168	1.1
321.03973	5.1
323.01923	1.1
323.05569	2.4
324.05042	1.1
325.07138	0.8
335.05389	4.8
337.03473	5.5
337.07022	1.6
339.04794	0.8
341.06412	0.7
347.01889	4.7
349.03571	0.9
351.05136	3.5
353.06442	5.9
355.04501	1.0
363.04959	4.6
365.02985	9.3
367.08054	4.5
369.06146	0.8
379.04428	4.5
381.06149	5.6
383.03818	1.6
385.16629	1.1
390.89774	0.5
393.02338	2.5
395.07748	2.3
397.05426	5.1
407.04010	0.6
413.08566	0.7
417.10791	0.6
425.05048	1.1
457.07736	2.3
495.14294	0.6
513.15234	10.8
531.16168	0.6
545.17609	14.0
563.18768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3027
Annotation	Ergocornine
Peak:m/z	Relative Intensity
60.05334	0.7
62.64996	0.8
67.26196	0.8
70.06599	75.4
70.15360	0.8
72.69707	0.8
82.42211	0.9
84.08153	2.1
91.05519	1.1
93.44956	0.8
100.76929	0.9
106.52038	0.9
107.57095	0.8
115.08680	3.5
120.07262	2.0
120.08108	49.9
121.43375	1.0
130.07567	1.0
131.35336	1.0
134.06010	4.5
136.07599	4.3
138.12773	4.3
140.61916	1.1
141.10243	26.3
151.08646	1.6
152.09444	5.0
165.13899	1.1
167.10591	1.1
168.11444	1.4
169.09682	5.4
174.12679	1.0
177.91917	1.0
181.13332	2.0
183.14854	1.2
202.12263	7.7
209.12865	9.8
214.12309	1.1
224.61920	1.0
228.13855	1.5
234.15912	1.2
236.17635	8.1
238.12132	1.2
262.15543	5.2
280.16571	20.7
283.14322	1.2
288.74237	0.9
366.21973	1.3
394.21353	2.1
415.23611	1.8
491.26666	3.6
517.28192	1.4
545.27625	1.5
562.30231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03284	0.9
66.92838	0.9
69.46211	1.0
70.06599	95.1
70.66463	1.0
84.08156	6.5
92.18396	1.7
98.06057	1.3
115.08694	4.5
120.08111	60.6
130.06523	1.9
134.06021	6.8
136.07617	5.2
138.12808	6.3
141.10237	29.6
146.06120	1.1
151.08675	2.1
152.08322	1.2
152.09438	7.2
160.07645	1.3
162.09064	1.1
165.13959	1.3
167.10561	2.0
169.09724	6.9
181.13434	1.2
191.11861	2.1
202.12244	11.4
208.10825	1.5
209.12875	9.6
228.13852	2.4
231.58990	1.1
234.16098	2.5
236.17548	8.4
238.12260	1.2
262.15598	4.5
280.16537	24.3
283.14557	1.3
309.44513	1.1
398.20761	1.4
415.23428	2.1
427.23434	1.4
517.28729	1.7
562.30298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40022	0.2
59.11493	0.2
60.07921	0.2
60.08176	4.7
67.05524	0.3
67.56094	0.2
67.58701	0.2
71.07364	1.1
76.99574	0.2
81.07081	0.4
83.08640	0.2
86.09715	21.9
87.40198	0.2
95.08568	0.2
98.98473	0.2
104.10769	2.4
105.07023	0.3
106.55498	0.2
123.78262	0.2
125.00011	10.5
161.58325	0.2
162.77415	0.2
163.03854	0.2
184.07353	100.0
196.07338	0.3
236.14931	0.3
277.10959	0.2
376.64807	0.2
455.72192	0.2
484.96567	0.2
526.32831	1.1
529.43207	0.2
543.09271	0.2
544.34027	22.3
562.36029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3025
Annotation	Ergocornine
Peak:m/z	Relative Intensity
50.58028	0.7
53.03686	0.8
53.23914	0.7
56.22919	0.7
58.28765	0.7
70.06595	94.3
84.08163	6.1
91.05499	1.8
98.06080	1.0
112.07561	0.9
115.08687	4.2
120.08098	65.7
130.06516	0.9
134.06024	5.4
135.06769	0.9
136.07564	6.6
138.12752	5.6
139.08656	1.1
141.10228	26.6
143.39917	0.8
146.05951	1.2
151.08617	4.0
152.09450	5.2
165.13863	2.1
167.10481	1.6
168.11302	1.3
169.09735	7.6
173.68001	0.9
175.08755	1.5
181.13350	1.4
183.14928	3.9
191.11790	1.6
202.12305	10.1
206.05467	0.8
208.10876	1.1
209.12856	12.2
214.12245	0.9
225.11046	1.0
228.13799	3.4
231.14874	1.3
234.03941	0.9
234.15971	3.6
236.17581	10.7
238.12160	1.0
259.14459	1.6
262.15475	3.7
280.16565	24.0
281.47308	0.9
283.14413	2.0
325.19299	1.4
394.21191	1.4
398.20660	1.1
405.53055	0.8
415.23514	3.7
427.23965	1.0
473.25458	1.1
491.26599	1.1
517.27759	2.8
544.29419	1.1
545.27679	1.6
562.30237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55001	0.7
60.08177	6.4
62.06089	2.9
69.03438	1.0
70.06566	0.7
71.08636	6.4
71.57464	0.7
72.08145	1.5
73.02916	1.1
81.03423	1.1
85.02903	4.0
86.05580	1.1
86.06076	23.7
86.09705	4.8
92.18469	1.2
93.07053	0.7
95.04951	0.6
95.08610	0.8
97.02914	0.6
97.06525	1.3
98.09712	1.5
99.04424	0.7
99.08091	3.6
101.02411	0.8
109.02856	2.9
109.06535	1.5
111.08087	1.6
116.10738	9.2
127.03937	5.5
134.09665	1.3
137.05994	6.1
142.12282	1.4
143.10684	8.9
145.04988	1.0
152.10699	0.9
159.02881	0.9
170.11787	5.4
180.10220	3.8
198.11263	100.0
199.07127	0.6
214.18103	0.9
216.12315	54.3
291.85205	0.7
296.18597	3.2
314.19614	71.2
315.58722	0.7
402.17599	0.7
446.16611	12.4
464.17618	6.4
562.24847	9.5
562.36926	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	562.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01478	0.6
52.80689	0.7
53.74966	0.6
62.06101	1.4
63.91789	0.6
66.94144	0.6
68.98309	0.7
69.03435	1.8
70.06604	2.7
71.08633	3.8
72.08126	0.8
73.02929	1.1
81.03420	4.1
81.07057	1.2
85.02915	6.1
86.06075	16.2
87.00827	1.3
96.03518	0.8
97.02891	3.5
99.04453	1.7
99.08089	3.9
105.01867	1.3
105.06969	0.9
109.02885	6.7
109.06529	1.8
111.08069	1.2
114.28071	0.9
116.10715	6.9
127.03908	9.5
129.01842	1.0
130.90593	0.7
134.09656	0.8
137.05969	1.4
145.04970	1.3
152.10733	1.6
159.02817	1.0
170.11778	4.7
177.30908	0.8
180.10156	1.6
198.11263	100.0
216.12321	43.9
279.19501	1.3
296.18637	1.1
314.19669	10.3
389.68286	0.8
402.17621	3.3
446.16589	33.5
464.17664	14.9
544.24670	0.9
562.24890	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	561.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	4.0
59.07380	0.9
60.08176	47.7
60.67079	0.7
65.91734	0.8
69.07053	0.8
75.65091	0.7
84.08136	3.3
86.09216	1.5
86.09711	31.0
89.35583	0.8
91.02513	0.7
93.41541	0.7
97.06528	12.6
114.09159	1.1
123.66489	0.7
136.07590	2.8
154.15918	1.5
155.08174	1.0
165.05472	1.5
173.16559	1.3
177.09059	1.3
180.13850	3.0
182.15440	1.3
189.09038	1.3
190.12274	4.4
202.12262	7.2
208.13374	3.3
219.10164	3.0
222.36633	0.9
223.14397	1.3
231.10118	5.4
248.12814	8.3
261.68716	0.8
276.68600	0.9
315.20844	1.6
358.21213	3.1
361.21158	0.9
374.90463	0.9
404.21524	0.8
502.29190	1.5
533.36713	1.3
561.36450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53245	0.5
57.97012	0.5
58.06592	2.5
59.07372	0.9
60.08173	49.9
69.07070	1.5
74.09541	0.6
76.07389	0.6
84.08149	3.2
86.09713	36.7
95.54833	0.6
97.06542	11.1
114.09190	1.5
114.12852	0.6
116.87028	0.6
119.00962	0.8
122.65508	0.7
123.04417	0.7
124.07628	0.9
136.07597	2.9
154.15993	1.1
155.08113	2.6
160.07555	1.5
165.05461	2.8
173.16513	1.3
177.09157	1.1
180.13918	4.2
182.15422	1.4
186.09195	3.4
187.09796	1.1
189.09129	0.9
190.12221	4.6
202.12221	6.2
208.13263	3.1
215.02553	0.6
219.10149	4.5
223.14427	0.9
231.10207	6.6
236.12749	1.2
248.12885	8.4
272.85773	0.6
275.13873	0.8
315.20786	0.9
358.21335	3.5
502.28928	0.9
509.49783	0.7
533.36835	3.3
561.36493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	3.6
60.08174	47.3
60.56339	0.5
69.07066	1.1
71.08621	0.7
76.76015	0.6
84.08133	2.5
86.09712	37.9
86.10242	1.3
89.41943	0.6
97.06535	10.7
114.09145	1.0
114.12833	0.7
135.45291	0.6
136.07576	1.4
152.10773	0.9
154.08594	0.7
154.15932	1.0
155.08192	1.4
165.05498	1.2
173.09659	1.1
173.16513	3.6
177.09113	1.2
180.13828	2.4
182.08134	1.1
182.15388	2.3
189.09163	1.2
190.12303	3.8
200.10596	0.6
202.12233	6.4
208.13351	3.2
219.10159	4.9
223.14430	1.4
231.10085	6.4
236.12762	0.7
245.00406	0.6
247.14221	0.7
248.12790	8.0
275.13995	0.7
276.12299	0.6
315.20779	2.3
343.20496	0.8
358.21265	4.4
361.21112	1.1
404.21729	0.7
491.35941	0.5
499.16467	0.5
502.29303	1.1
533.37054	2.4
540.19189	0.8
540.34753	0.6
561.36469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32450	0.7
58.06599	3.6
58.36024	0.8
59.07381	0.8
59.38128	0.8
59.58263	0.7
60.08175	48.0
69.07063	1.6
81.23225	0.8
84.08192	1.9
86.09212	1.9
86.09711	38.8
97.06538	10.1
97.66328	0.9
104.16159	0.8
114.09172	1.0
136.07632	1.2
154.15906	1.0
157.25475	0.9
165.05374	1.3
173.09653	1.0
173.16536	1.2
177.09065	1.1
180.13857	4.0
182.15411	1.3
189.09117	1.2
190.12238	4.4
202.12291	7.3
208.13358	2.0
219.10207	4.0
231.10170	6.5
248.12915	6.5
248.39980	0.9
275.13922	1.2
315.20703	1.5
344.85382	0.9
358.21368	1.9
400.88351	1.1
502.29327	1.8
533.36810	1.2
561.36462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27675	0.4
55.01865	2.2
55.05510	2.9
57.07066	0.5
58.75613	0.6
64.24187	0.4
67.05508	5.0
69.07058	2.4
71.08632	2.0
72.08138	3.4
79.05486	3.4
81.03429	1.0
81.07060	5.3
83.08638	4.2
91.05469	2.5
92.45853	0.5
93.07056	4.9
95.04977	14.2
95.08609	4.5
97.06535	3.2
97.10172	0.7
98.06066	0.5
99.08096	2.4
105.07008	2.2
107.04971	1.1
107.08616	4.6
109.06515	0.9
109.10187	4.6
111.08092	4.7
113.13754	0.6
115.08719	1.3
116.24825	0.5
119.08582	3.1
121.06532	0.8
121.10151	5.1
123.08092	1.0
125.09621	3.4
131.08598	2.3
133.10132	4.7
135.08089	0.9
135.11676	3.7
137.09570	0.9
139.93698	0.6
145.10132	3.2
147.08095	0.8
147.11691	3.1
149.09615	7.8
151.11217	1.2
157.10184	0.8
159.04416	0.8
159.11708	2.5
161.02376	0.8
161.13213	0.6
163.03928	8.7
163.11200	10.6
165.12764	3.7
173.02336	2.7
173.09654	0.7
173.13242	1.1
177.12669	2.3
183.04436	2.2
187.03925	3.1
193.12253	0.9
195.13776	0.6
199.03796	4.8
201.05452	0.6
205.12334	2.6
213.05417	3.8
215.06992	0.6
223.13315	11.8
224.44681	0.5
237.14919	0.8
247.20625	1.0
257.18994	2.1
267.13876	0.7
275.20053	11.6
293.11786	1.1
293.21072	21.0
294.21936	0.9
311.12701	4.1
339.16037	0.6
419.22211	2.1
437.23230	1.8
455.24377	8.1
561.35352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.7
59.49049	1.6
59.98059	1.7
67.05497	1.7
69.31582	1.9
71.08631	4.2
72.08157	45.0
83.08615	3.5
89.10799	12.1
91.05494	2.6
95.04954	1.8
95.08627	3.2
98.06055	7.7
99.02757	2.0
99.08092	2.8
111.08067	3.8
114.37653	1.8
115.08696	3.4
119.08606	2.3
151.11205	2.3
163.03867	2.4
173.05963	2.8
177.12784	1.9
187.07657	2.5
199.07594	3.1
217.05000	4.4
271.61551	2.1
310.83359	2.1
325.14478	3.5
351.12741	2.1
455.58902	2.3
561.35449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
55.05509	1.3
58.89480	0.4
60.08173	0.8
60.37838	0.5
67.05508	4.5
69.94672	0.5
71.05003	4.1
71.08639	0.8
72.08160	9.7
72.99432	0.5
74.75298	0.5
81.07059	3.1
83.08624	2.3
86.09690	1.1
89.10811	2.3
93.07075	0.8
95.08588	2.9
97.06526	1.0
107.08601	1.9
109.10155	3.8
111.08065	1.0
127.11198	2.4
135.08054	0.6
159.99251	0.6
161.05986	1.1
173.05988	2.9
175.03922	1.2
175.07518	0.7
177.05495	3.0
185.06018	0.8
187.03946	2.1
187.07573	2.4
189.05492	2.5
191.07039	0.8
197.06027	0.9
199.03955	1.1
199.07599	1.1
201.05464	20.0
203.07074	4.1
211.07503	0.7
213.05502	7.1
215.07085	3.8
223.07617	0.9
227.06969	5.7
227.10638	0.8
237.09293	0.7
239.07086	0.9
239.10695	3.7
241.08533	6.0
241.12218	12.2
251.10739	1.1
253.08679	0.7
255.13815	2.2
265.12152	3.7
267.10196	2.8
269.11780	3.9
283.13306	14.8
293.11801	3.4
297.11432	0.6
297.14758	1.8
299.16406	1.0
307.13486	0.8
309.14886	1.1
311.12802	12.3
325.14462	3.2
327.15784	1.2
329.13882	0.8
339.16092	0.7
383.74100	0.6
437.23297	3.3
455.24197	2.4
543.34314	0.9
561.35419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09832	2.0
53.21785	1.8
54.56874	2.0
57.38137	2.1
60.57186	1.8
87.65701	2.0
95.08595	2.3
105.35991	2.4
302.87326	1.9
337.27347	3.6
561.30267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21285	1.7
62.75587	2.0
67.05498	5.6
79.05499	4.1
81.03399	4.0
81.07064	9.9
83.08622	3.5
91.05473	4.8
93.07057	5.6
95.08601	3.8
107.08617	4.6
108.45984	2.5
109.10155	9.5
119.08576	4.1
121.10162	5.3
133.10130	2.5
145.10172	4.2
146.85983	2.6
163.11125	2.8
277.21747	2.6
287.57678	2.6
335.25806	4.9
427.51233	2.4
430.55670	2.8
543.36591	16.7
561.21826	4.8
561.30231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03970	0.3
77.03925	0.4
84.04499	1.7
88.11264	3.4
90.75147	0.3
92.18403	0.6
98.06068	1.2
127.85002	0.4
132.98045	0.4
141.05502	0.6
151.03902	100.0
153.13867	1.6
154.12225	0.5
165.05505	2.0
166.85133	0.4
171.14929	6.6
195.06474	3.0
199.14424	13.9
200.12886	0.5
217.26396	0.3
244.61601	0.3
345.09677	15.8
345.13794	0.7
389.79950	0.4
473.93658	0.4
543.23163	1.6
561.24377	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	561.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.4
60.08181	0.6
70.06563	3.7
72.04498	1.2
72.08160	20.4
84.08158	1.0
89.10816	6.7
98.05452	0.9
98.06059	19.8
99.58678	0.6
103.67522	0.6
107.04926	4.5
113.07017	0.8
114.09162	9.0
115.07951	0.7
115.08694	12.4
117.03340	0.9
137.05991	1.4
145.02852	18.8
151.03903	55.5
152.07004	4.2
155.11821	4.5
156.12132	1.2
158.99457	0.5
163.03839	4.1
166.35536	0.6
167.07021	0.6
170.09589	0.9
177.05467	91.3
183.11197	1.2
206.11729	6.3
217.18155	0.6
223.06020	0.9
245.04285	1.5
248.12836	5.0
255.06485	2.5
263.05399	3.4
265.15457	43.3
267.06424	7.2
295.06009	17.2
297.07629	16.5
313.07053	8.6
323.05396	7.6
323.09055	3.3
324.17822	1.0
325.06766	0.8
341.06494	8.3
349.06985	13.4
360.43427	0.7
431.11273	56.9
437.17148	4.8
473.12366	22.1
543.20245	0.7
560.74530	0.8
561.22083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16888	0.8
57.03386	0.8
62.08713	0.8
70.06575	1.8
72.04523	2.1
72.07816	1.1
72.08160	21.4
89.10767	6.1
98.06055	21.4
100.66038	0.9
107.04950	5.4
114.09173	13.5
115.08694	14.8
125.98602	0.8
128.22368	0.8
131.46500	0.8
137.05855	1.0
145.02852	20.7
151.03902	66.2
151.05132	2.2
152.04440	0.9
152.07074	2.2
170.09628	1.6
177.05475	100.0
205.31752	1.1
206.11739	7.6
245.04391	2.0
248.12837	5.0
255.06526	3.8
263.05460	1.9
265.15439	39.5
297.07593	18.2
323.05496	9.2
323.08905	2.5
325.07190	1.5
341.06506	6.8
349.07071	17.0
399.27094	1.0
431.11282	65.0
431.17163	2.1
437.17026	1.5
473.12296	26.0
561.22253	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	561.1954
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
64.13795	0.5
64.64174	0.5
71.26611	0.5
72.64664	0.5
81.54074	0.5
133.20898	0.5
137.05998	0.6
163.21223	0.5
211.88507	0.6
214.44250	0.6
215.21127	0.6
237.96355	0.5
261.07236	4.2
307.59128	0.5
335.93753	0.6
399.14142	15.3
561.19348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38517	0.5
56.42784	0.5
67.89064	0.5
70.06580	0.9
70.50328	0.6
72.08157	2.5
74.12138	0.5
116.67126	0.6
129.28525	0.5
153.05545	0.8
163.03958	2.4
167.07050	1.1
185.04225	2.2
201.05511	2.7
213.05414	1.2
293.08160	0.9
333.07803	0.6
337.10806	0.6
365.10236	6.3
366.11090	0.9
380.03525	0.7
398.09912	0.8
409.12680	0.7
427.14359	1.0
473.14651	1.2
561.15912	100.0
561.24530	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	560.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81182	3.3
60.08163	5.9
72.91067	4.2
86.09707	33.0
104.10753	72.4
114.53779	4.4
120.57188	3.7
125.00013	15.6
184.07349	100.0
243.20801	5.3
268.85501	4.5
322.56424	4.3
353.26831	8.0
381.36612	4.8
403.45340	4.2
560.32391	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	560.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77290	11.2
53.46777	11.8
54.91696	14.7
60.98450	14.4
61.83136	17.9
67.05522	22.1
83.87959	17.1
89.90233	13.0
93.07040	16.8
109.61954	14.5
121.10125	14.7
149.49850	14.6
159.11748	16.6
261.22162	54.5
293.66168	15.5
353.26880	62.2
543.15479	14.4
549.72302	16.9
560.38251	100.0
574.57770	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	560.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78035	4.1
55.05509	6.3
55.98507	4.8
57.03448	5.3
57.07067	9.3
59.83812	4.2
67.05508	51.1
69.07066	8.5
71.08609	4.8
79.05494	27.1
81.07070	65.6
83.08609	10.8
85.02901	6.7
85.06541	22.3
91.05476	30.4
93.07043	29.5
95.04953	4.4
95.08606	68.2
95.50496	5.0
97.06529	9.4
99.08084	5.5
105.07007	18.7
107.08601	42.8
109.10159	39.9
117.06994	4.8
119.08580	29.5
121.10130	73.0
123.11703	26.5
123.85670	4.7
131.08604	35.0
133.10130	28.5
135.11711	36.4
137.13289	5.9
141.34352	5.2
145.10123	30.8
147.11659	22.5
149.09630	6.1
149.13295	8.1
159.11630	22.7
165.12625	5.9
173.13248	30.2
175.14798	8.0
178.12860	5.7
187.14784	8.7
189.16415	10.0
205.19460	11.8
236.14975	7.6
271.24182	99.1
289.25211	100.0
363.28839	47.2
366.21057	5.6
381.30093	36.7
460.94418	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	560.335
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08173	12.7
67.05506	1.7
71.07353	3.7
75.75025	0.7
77.75418	0.9
77.78738	0.8
86.09218	1.9
86.09710	38.6
92.17860	1.0
95.08583	1.6
104.10753	76.1
108.14888	0.8
124.99997	15.6
162.69301	0.9
184.07350	100.0
216.32852	0.9
220.59512	1.0
269.52509	1.1
334.63864	1.0
408.30023	0.9
460.24579	18.7
462.15283	0.9
491.45313	0.9
518.13727	1.0
542.32324	3.9
560.33368	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98787	1.2
60.08151	2.5
61.99055	1.4
69.98209	1.3
86.09705	22.7
87.66711	1.3
104.10747	2.3
118.97570	1.4
125.00006	12.8
138.22198	1.8
141.18283	1.4
143.48260	1.5
167.38585	1.4
184.07353	100.0
369.91016	1.7
419.48380	1.9
460.24426	2.7
560.33289	16.8
563.46606	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	560.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01943	0.7
52.72708	0.5
52.97150	0.6
55.01011	0.6
58.06598	1.0
60.39299	0.6
62.63630	0.5
63.38410	0.6
70.06593	4.3
70.58627	0.7
72.08160	11.9
84.08149	2.6
100.07631	14.0
112.11269	4.0
123.04424	13.5
145.05969	0.7
149.06039	2.8
163.03894	5.9
164.04185	0.7
165.05467	15.8
167.07071	3.2
177.05475	44.9
190.08682	1.2
191.07024	11.7
209.08095	21.4
214.47845	0.7
218.08257	0.8
219.06560	1.3
221.12721	0.8
222.11258	64.1
236.12915	3.4
266.33069	0.7
288.07224	0.7
293.18732	3.1
308.14923	35.9
310.21384	0.9
322.16486	2.3
348.00839	0.7
452.18402	0.9
542.29034	0.9
546.53510	0.7
560.15771	4.0
560.29822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67737	0.2
60.07919	0.2
60.08178	5.1
68.15753	0.2
71.07372	1.0
80.48045	0.3
81.07072	0.2
86.09710	21.9
95.15181	0.2
97.06547	0.2
98.98458	0.3
104.10767	3.4
107.08575	0.3
108.76473	0.2
116.81505	0.2
125.00008	10.5
129.07063	0.3
149.00760	0.2
184.07350	100.0
302.15500	0.2
320.89426	0.3
542.32397	1.2
560.33447	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	560.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31323	0.4
51.57863	0.5
58.06610	1.1
58.28156	0.5
60.08405	0.5
70.06599	8.8
72.08165	13.2
75.15617	0.5
84.08153	5.0
86.09728	1.0
89.17938	0.5
92.18346	0.7
98.06046	0.7
100.07616	5.7
110.09663	1.3
112.11254	4.3
113.07123	0.8
114.10239	0.6
123.04433	25.6
129.13872	0.6
136.07582	1.1
137.05974	0.7
153.05507	0.8
155.11787	6.0
163.03902	8.1
164.04311	1.3
164.07080	1.1
165.05476	44.5
177.05385	0.6
206.08266	0.7
207.06572	2.3
220.09621	4.3
221.10059	2.1
221.12895	1.4
222.11264	100.0
264.12311	6.6
278.10428	0.6
278.13928	3.7
305.18549	0.9
315.08694	3.5
317.10281	0.9
328.40228	0.7
350.14413	0.8
516.26666	5.6
528.23444	2.5
542.25226	0.8
560.26068	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19388	0.6
54.36808	0.5
55.01869	1.0
59.51079	0.6
60.68657	0.7
70.06581	3.1
72.08154	1.6
75.04487	0.8
81.07048	0.7
84.08170	0.8
85.02900	1.4
86.09743	1.4
87.43864	0.6
91.05478	4.6
93.03406	7.7
93.07045	1.4
95.04984	0.7
97.06528	1.1
103.05481	2.6
105.07043	11.3
106.04192	5.5
107.04970	1.2
108.05679	0.8
109.06544	1.2
118.04147	1.1
119.04929	3.4
121.06507	11.8
122.09632	1.0
123.04392	1.1
123.08087	3.8
125.05984	5.3
131.04929	2.8
133.02849	1.2
133.06514	10.1
134.03664	0.7
135.04448	1.0
135.08058	0.8
137.06012	8.1
147.04424	6.7
148.04834	1.1
149.05989	28.3
150.06776	7.4
151.07529	6.4
153.05518	0.8
153.09145	8.2
161.05959	4.3
163.03893	4.5
163.07516	0.9
165.05508	5.3
165.09090	11.8
167.07036	17.7
177.05464	21.7
178.06250	0.8
179.01631	0.8
179.07033	4.1
181.08600	14.6
189.33408	0.7
191.07050	5.3
192.07846	1.5
193.08615	100.0
197.08101	3.4
209.06493	1.0
209.08093	75.4
211.09659	96.9
218.32303	0.8
285.41534	0.8
301.07452	4.8
313.07303	1.3
391.17487	1.1
403.17465	1.5
408.36426	0.7
560.21924	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	559.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07140	0.6
58.06597	4.2
59.07375	1.6
60.08173	47.9
64.34410	0.6
69.07069	3.2
74.23521	0.6
80.26092	0.7
82.06598	5.0
83.42735	0.7
84.08138	2.9
86.09217	0.9
86.09715	20.9
97.06528	6.6
97.64121	0.7
107.05032	0.6
108.08633	0.7
110.06038	3.1
114.12850	0.9
126.09104	0.8
136.07605	1.3
144.11234	0.7
150.09123	6.0
150.12808	0.8
151.13608	0.7
175.07529	1.1
178.12315	0.9
179.13101	0.9
187.07607	0.9
188.10768	1.4
193.13390	0.9
195.14961	1.0
200.10732	3.5
217.08510	0.8
221.12807	0.9
228.10277	0.9
229.08606	3.1
246.11179	4.7
273.62485	0.7
275.13931	3.9
313.19116	0.8
356.19754	0.7
359.19727	2.6
370.29639	0.7
393.10764	0.7
489.00354	0.8
531.35162	1.0
559.34924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21593	1.1
55.05516	2.1
55.68498	1.2
57.03419	1.2
59.50426	1.2
60.37011	1.1
66.69450	1.2
66.73305	1.3
67.05495	1.6
69.07079	1.5
72.07798	2.3
72.08158	39.9
79.05475	2.1
81.07054	9.2
89.10797	11.2
98.06058	8.1
100.28112	1.4
105.07070	1.6
109.06528	2.7
115.08683	1.9
130.37766	1.5
133.10161	1.6
163.03902	9.5
173.06009	8.6
175.03810	1.6
187.07410	1.4
211.07599	2.0
213.05486	2.6
217.04994	7.4
227.07198	1.4
236.51263	1.4
285.71387	1.4
311.12576	1.6
329.13934	5.4
452.74283	1.4
541.32562	1.6
559.33795	100.0
559.42566	3.2
574.07068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56659	0.4
58.06609	4.3
59.07388	0.6
60.08175	43.6
62.12098	0.4
62.90760	0.5
69.03461	0.6
69.07057	3.6
70.90343	0.4
72.08144	0.9
80.13988	0.5
81.05805	1.2
82.06583	5.6
84.08147	2.1
86.09711	20.2
91.68961	0.5
95.99217	0.5
97.06532	7.0
99.99056	0.5
110.06050	3.2
112.07593	0.6
113.52299	0.4
114.09169	0.7
123.04433	2.4
124.11063	0.5
132.86401	0.5
136.07578	2.2
150.09148	5.9
150.12756	1.0
151.62575	0.5
153.06566	0.7
162.12769	0.8
163.03917	0.8
165.05502	0.7
175.07509	2.1
178.12334	2.0
179.13098	0.6
182.08127	0.7
182.15375	0.7
187.07564	0.9
188.10655	1.1
193.13455	0.7
195.14943	0.7
200.10701	3.9
211.07396	0.5
217.08643	1.8
217.13434	0.8
221.12859	1.1
221.15213	0.6
228.10152	2.9
229.08661	1.9
229.98009	0.5
234.11188	0.6
246.11243	4.3
263.13800	0.9
275.13968	3.6
289.11810	1.0
331.20044	0.5
341.18692	0.9
356.19482	1.1
359.19833	0.8
512.34277	0.5
531.35626	0.9
544.24841	0.5
559.34918	100.0
559.75800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21707	0.3
60.69761	0.4
65.48682	0.4
68.21187	0.5
70.06582	0.6
72.08134	0.7
74.44367	0.5
85.02920	0.6
114.09166	1.8
128.48328	0.4
130.89664	0.5
137.05960	0.5
143.57547	0.4
159.90569	0.5
167.07024	0.7
178.84140	0.5
186.09148	0.6
202.20706	0.5
259.05841	1.0
273.23410	0.6
277.00018	0.4
328.71115	0.4
365.10059	0.6
397.12357	4.0
417.17908	0.7
475.82950	0.5
559.17780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10382	0.6
51.09285	0.6
51.75764	0.7
52.46989	0.6
53.67754	0.6
55.05524	1.1
57.03444	0.9
59.43556	0.6
60.08599	0.7
67.05510	6.2
69.03431	0.9
69.07057	3.2
70.64278	0.7
72.08160	1.6
73.02928	0.6
79.05495	6.3
81.03408	1.0
81.06606	1.1
81.07065	22.1
83.08617	3.7
89.06024	1.6
91.05479	3.5
93.07048	6.8
95.04974	7.3
95.08586	3.4
97.06512	1.4
97.10164	3.4
99.08041	0.8
105.07034	3.9
107.04963	3.1
107.08583	5.5
108.10199	0.7
109.06514	7.2
109.10146	3.8
110.10655	0.6
111.08134	0.8
115.08738	1.0
117.07005	3.5
119.08578	9.7
121.06495	4.8
121.10159	6.4
123.08080	7.0
125.09639	5.5
129.07024	1.1
129.66049	0.8
131.04955	1.5
131.08580	5.7
133.10138	3.9
133.36395	0.8
135.08034	3.6
135.11711	1.3
135.31137	0.8
137.09648	1.2
143.08583	3.4
145.06485	0.7
145.10127	6.2
147.08054	5.9
147.11726	1.5
149.09604	5.2
157.10152	2.6
159.08118	0.8
159.11728	4.1
161.09601	3.7
163.03922	9.7
163.11200	6.2
165.09146	0.8
166.12228	0.7
169.10165	1.1
171.11612	0.9
173.02373	3.9
173.06035	0.9
173.13266	0.7
175.03859	0.7
175.11241	1.1
183.04439	0.7
185.13358	1.2
187.03876	2.8
193.12216	0.9
199.03925	3.5
205.12312	0.9
209.13348	0.7
213.05502	4.0
223.13339	1.2
227.17870	1.0
245.18961	0.9
249.14868	4.4
255.17476	1.6
267.13824	0.9
273.18509	7.4
283.97720	0.8
290.97888	0.7
291.19528	19.0
293.11893	1.5
306.34619	0.7
311.12833	2.8
315.12302	1.0
417.20468	1.1
435.21765	3.2
442.19162	0.8
453.22922	5.7
471.23413	0.8
528.09930	0.7
531.72095	0.8
542.30853	1.2
559.33801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25733	5.3
57.83257	4.7
60.32115	5.7
66.03812	4.5
94.26603	4.7
103.36674	4.6
129.97852	6.2
226.96927	6.4
350.76636	6.1
357.22766	6.9
553.09918	6.7
559.13141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88969	9.3
67.05516	100.0
68.20188	10.0
68.33573	8.7
71.38390	8.8
79.05493	39.2
81.07062	84.9
91.05484	18.4
93.07045	41.6
93.63319	8.8
95.08620	70.4
105.06991	13.3
107.08671	28.6
109.10150	43.3
119.08575	20.3
121.10122	50.3
123.11655	12.8
133.10135	40.7
135.11678	20.4
145.10133	37.3
147.11615	11.6
161.13336	18.6
163.11191	11.4
173.13258	11.2
185.45053	10.2
269.22607	19.2
287.23819	16.5
305.24738	10.4
379.28488	39.5
519.51196	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	558.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40930	9.4
61.38642	12.3
67.05505	91.6
67.39156	8.5
69.07071	12.7
79.05490	26.4
81.07067	100.0
84.41518	10.3
85.06564	14.1
91.05484	23.6
91.36634	10.1
93.07042	57.4
95.08614	64.1
101.55645	11.8
105.07034	20.1
107.08613	15.0
109.10159	72.4
112.35046	10.3
119.08559	12.9
121.10146	26.4
123.11683	21.1
131.08603	19.7
133.10118	19.8
135.11702	25.2
145.10179	17.9
147.11697	13.0
149.09576	13.9
149.13312	17.0
159.11682	15.8
163.11145	11.8
173.13293	13.1
175.14795	11.3
185.13412	14.7
187.14812	14.2
203.17940	21.2
239.78665	11.1
254.41811	10.4
269.22668	66.1
287.23553	36.4
290.82465	12.0
379.28381	48.0
414.00107	11.3
435.38452	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	558.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56366	0.4
55.05520	0.6
55.42929	0.4
56.05035	0.5
58.12061	0.5
60.55478	0.4
67.05514	0.6
70.06594	3.5
71.49346	0.5
72.08152	0.8
81.07055	6.2
82.06585	0.9
83.08635	4.4
86.09682	1.1
92.18357	0.6
95.08590	0.5
95.22751	0.5
97.46481	0.4
98.09699	6.6
107.08567	0.7
108.08073	1.0
109.06515	5.6
109.10159	1.2
110.09688	5.4
124.11151	0.6
125.10745	0.7
126.09158	57.3
134.09698	0.6
135.08034	2.1
136.07587	0.7
143.11775	2.1
144.10207	15.7
149.05933	0.5
149.08566	0.5
151.12288	0.7
152.10710	19.1
154.08604	1.0
167.07065	2.7
170.11763	18.8
172.09654	5.7
179.07114	2.4
190.10748	6.1
197.65335	0.5
198.11337	4.4
203.73494	0.5
209.08153	1.0
216.12309	4.1
217.11835	0.7
218.15392	0.5
219.14740	0.5
225.07715	1.0
227.08133	0.8
234.14929	5.0
251.17474	3.6
252.15903	1.7
259.18103	0.8
260.16476	10.0
269.18521	4.2
277.19165	6.2
278.17499	4.3
279.16928	0.6
281.16501	0.5
295.20175	6.6
297.17975	2.5
297.36066	0.5
305.18661	2.1
306.17313	0.6
315.19199	3.2
323.19638	6.2
341.20694	9.7
387.21146	0.8
420.28751	0.6
448.28061	1.1
466.29520	2.0
476.27451	0.7
494.28702	2.7
512.29907	4.6
540.29919	0.7
558.30225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.0
57.07085	0.4
58.65034	0.2
61.46144	0.3
62.06081	0.3
63.77671	0.2
66.18987	0.2
69.03427	2.5
69.07083	0.2
70.06586	1.2
72.08131	0.4
74.02435	0.6
81.07042	0.3
83.05002	2.7
84.08146	1.0
85.02892	0.3
85.06532	0.5
85.08926	3.4
86.09715	1.0
100.11261	100.0
113.10745	0.5
116.10721	1.1
118.06554	0.9
120.08106	9.3
130.08633	1.0
131.04939	0.4
139.03905	0.4
141.10207	2.0
143.01776	0.3
144.08226	0.8
144.10204	23.5
146.06059	0.5
160.07556	0.4
170.09637	0.5
171.10080	0.6
186.09067	0.3
187.10919	0.3
188.10718	5.5
188.14375	1.4
199.07515	0.3
213.66222	0.3
214.08601	2.4
220.13382	0.3
227.07037	3.7
231.15018	1.6
257.61557	0.2
345.18265	1.4
420.25131	1.1
523.21722	0.4
529.41498	0.3
540.21838	0.3
558.28046	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01877	4.7
56.92133	0.8
57.03444	1.2
59.07812	0.8
60.44963	0.9
61.02935	5.4
69.03437	27.6
70.06557	0.8
71.01402	0.9
71.04990	5.4
73.02911	4.1
74.44331	0.9
81.03432	19.1
83.01338	1.0
85.02911	100.0
87.00829	42.3
97.02896	34.5
99.04465	14.8
105.01873	62.2
109.02882	34.7
127.03918	84.7
129.01868	2.3
130.44061	1.0
133.46127	0.9
145.04964	19.2
151.43243	1.1
159.02856	11.0
160.07590	7.2
170.09645	1.6
170.81255	1.1
186.09157	20.6
187.09720	10.3
188.10306	1.9
213.03934	6.4
218.14198	4.7
219.14493	1.1
231.04991	37.7
239.16447	2.2
249.06056	18.0
253.06845	1.0
285.30765	1.1
324.22455	1.1
343.17642	6.5
361.18497	11.5
393.10339	4.7
442.24985	1.1
520.23212	1.1
540.33026	1.2
558.35272	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	558.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01505	0.4
51.77804	0.4
54.79227	0.4
55.05518	0.5
58.06610	7.8
69.03438	5.4
70.06593	7.6
72.08160	20.8
73.02921	0.4
75.09254	0.6
81.03426	3.8
84.08155	11.1
85.02917	5.2
85.18471	0.4
90.05547	0.6
97.02903	2.7
98.09715	1.0
98.14563	0.4
99.04447	2.1
103.03924	0.5
109.02879	5.0
112.11250	27.1
120.08097	1.9
123.04443	7.1
127.03915	5.6
129.13908	5.7
134.62338	0.5
134.64178	0.4
137.71785	0.4
145.04947	0.5
163.03949	0.5
165.05486	11.7
166.08676	0.7
187.06071	1.9
220.11900	1.1
222.11290	2.9
236.12810	35.4
253.15475	6.7
265.15640	1.7
279.17081	1.1
285.75494	0.4
293.18604	41.8
310.21252	30.3
335.19714	0.5
440.19162	1.6
472.26462	3.9
496.33325	0.5
497.24817	3.1
514.27643	9.6
540.24683	0.6
558.26624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41396	0.6
51.40818	0.6
51.53574	0.7
60.73262	0.7
62.87533	0.8
79.21469	0.9
80.23880	1.0
85.02908	5.1
91.05475	1.6
93.07044	1.3
93.59358	0.8
103.05455	2.8
105.07037	9.6
107.04956	8.1
112.36686	0.9
114.12894	1.0
119.04945	1.4
121.06495	8.1
123.08080	0.9
127.03951	1.4
133.06494	31.7
135.04410	3.2
135.08070	1.5
137.06012	7.5
147.04294	0.9
149.05988	20.2
150.06735	6.5
151.03922	13.4
151.07562	7.5
161.05959	7.0
163.07564	4.9
165.09094	11.3
167.07037	64.7
175.07518	0.9
178.06325	0.9
179.07027	5.6
179.10674	0.9
181.08611	1.4
189.09149	3.2
193.08609	84.3
207.10155	1.3
211.09657	100.0
213.11273	1.0
223.09819	0.8
280.43469	1.0
319.75366	0.8
331.15356	5.4
343.15405	1.3
361.12851	3.0
379.13831	1.7
447.67941	0.9
575.66327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	1.7
70.06588	1.7
79.05497	2.0
85.02901	7.1
86.09717	1.1
91.05493	5.5
93.07014	1.2
97.02912	1.9
103.05463	4.9
105.07013	5.4
107.04958	9.8
109.02888	1.4
109.06517	1.7
119.04937	7.7
121.06500	1.9
127.03902	1.7
129.06981	1.5
131.04933	22.9
133.02872	2.7
133.06488	13.7
135.08069	4.3
137.05983	51.5
147.04419	7.3
148.05110	2.0
149.06003	9.2
151.07547	29.1
157.06473	2.4
161.05972	60.6
161.09613	8.0
161.85391	1.3
162.06750	5.3
163.03903	16.1
163.07538	59.4
165.05457	5.9
165.09137	2.5
167.07033	83.7
170.09601	2.6
175.07515	10.4
177.05510	8.9
177.09103	9.6
179.07040	6.8
181.04956	100.0
181.08553	6.8
189.05496	2.3
189.07358	2.0
189.09100	49.1
191.06979	4.5
193.08600	47.8
195.08067	2.0
207.06564	18.1
207.10144	40.5
209.08006	1.6
219.10153	6.3
221.09454	1.5
223.07640	1.2
227.10670	7.6
240.07921	1.3
253.08632	2.3
253.12262	6.3
253.42830	1.2
255.10162	10.9
265.08667	1.3
269.82846	1.2
281.11749	2.8
283.09604	4.3
285.11292	4.8
287.09912	1.5
287.12717	12.0
297.11270	7.3
299.12753	4.8
301.10605	1.9
311.09323	2.2
311.12808	5.8
313.14417	9.3
325.10773	2.1
325.14441	4.6
329.09952	1.6
331.15393	78.1
333.13031	1.4
341.62119	1.2
343.11752	87.5
343.15363	8.7
361.12790	59.7
379.13876	64.9
442.32922	1.2
558.20349	1.5
558.29059	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	558.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41396	0.6
51.40818	0.6
51.53574	0.7
60.73262	0.7
62.87533	0.8
79.21469	0.9
80.23880	1.0
85.02908	5.1
91.05475	1.6
93.07044	1.3
93.59358	0.8
103.05455	2.8
105.07037	9.6
107.04956	8.1
112.36686	0.9
114.12894	1.0
119.04945	1.4
121.06495	8.1
123.08080	0.9
127.03951	1.4
133.06494	31.7
135.04410	3.2
135.08070	1.5
137.06012	7.5
147.04294	0.9
149.05988	20.2
150.06735	6.5
151.03922	13.4
151.07562	7.5
161.05959	7.0
163.07564	4.9
165.09094	11.3
167.07037	64.7
175.07518	0.9
178.06325	0.9
179.07027	5.6
179.10674	0.9
181.08611	1.4
189.09149	3.2
193.08609	84.3
207.10155	1.3
211.09657	100.0
213.11273	1.0
223.09819	0.8
280.43469	1.0
319.75366	0.8
331.15356	5.4
343.15405	1.3
361.12851	3.0
379.13831	1.7
447.67941	0.9
575.66327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88351	0.4
58.06607	2.5
60.05405	0.4
68.36340	0.4
70.06237	0.5
70.06600	10.0
72.08162	12.6
75.09235	1.0
81.03441	0.6
82.06565	0.3
82.47544	0.4
84.08152	6.9
85.02930	0.6
85.27861	0.4
86.09673	0.4
89.03925	0.5
93.17336	0.4
98.06044	0.7
98.09705	1.6
100.07607	0.8
103.44403	0.4
107.08515	0.5
109.07744	0.5
109.10238	0.4
110.09682	2.1
112.07611	0.5
112.11240	6.5
117.03378	0.6
120.20597	0.4
121.35392	0.4
123.04424	0.7
123.08025	0.5
128.07083	0.6
129.10258	0.8
129.13878	2.5
135.04463	4.1
136.07567	0.4
137.05974	0.8
145.02873	4.0
147.04456	0.5
151.07521	0.6
155.11798	2.8
163.03900	100.0
164.04193	0.4
165.05452	10.5
167.07047	0.8
177.05402	0.4
191.07094	0.5
193.08556	0.4
207.06534	2.3
218.11819	0.6
219.11247	0.8
220.09682	80.5
224.74379	0.4
234.11287	0.8
236.12822	0.9
248.07747	0.4
250.14432	0.6
260.12778	0.8
264.12180	0.5
278.13834	6.9
291.17163	0.7
295.16452	0.6
305.18591	9.2
306.13644	0.5
317.18085	0.6
335.19650	5.5
350.13458	0.4
352.22348	1.7
386.00345	0.4
435.08871	0.4
503.22220	0.5
514.25616	5.5
558.24323	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19903	0.7
53.81655	0.6
61.02633	0.7
61.31847	0.7
63.09832	0.8
67.05487	3.5
69.03419	1.2
72.08127	1.2
82.11850	0.7
85.02903	1.8
95.06081	0.9
97.02868	1.4
107.04928	1.3
109.10155	3.7
116.42905	1.0
121.06506	3.5
129.05528	0.8
135.08061	1.7
137.05986	4.8
137.40524	0.8
146.55118	1.0
149.06015	1.0
151.07500	0.9
153.05469	3.5
153.09125	1.5
161.05988	1.2
165.05547	1.1
167.07014	11.3
171.06512	1.4
179.07010	21.0
181.04953	72.9
181.08418	6.7
191.07088	0.9
193.08620	3.3
207.06517	100.0
209.06093	0.9
213.09097	3.1
217.10646	1.9
241.08659	4.9
269.08078	4.5
273.11362	6.3
286.08282	1.1
301.10629	6.3
303.48846	0.9
318.11115	1.1
333.13321	21.9
361.12747	21.3
379.13846	39.3
496.51315	0.8
538.07703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
72.18604	0.2
78.75190	0.2
80.95329	0.2
84.26994	0.2
85.02911	1.8
91.11587	0.2
92.78423	0.3
97.02853	0.4
100.27163	0.2
101.82075	0.2
105.07027	0.3
107.05003	0.8
109.63937	0.2
115.65755	0.2
116.76494	0.2
123.04466	0.2
124.05158	0.3
127.03858	0.3
133.06410	0.4
137.06004	0.3
149.05968	1.0
151.03903	20.4
161.05984	1.3
167.07031	100.0
179.06946	0.4
180.08701	0.3
181.08606	0.9
193.08595	4.2
207.98451	0.3
211.09657	14.5
262.78146	0.3
283.26596	0.3
331.15396	0.9
361.12836	8.8
379.13901	4.1
459.10977	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	558.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74465	0.6
53.91963	0.7
57.74677	0.6
62.33545	0.6
70.06590	0.9
72.08160	1.4
75.06047	0.6
79.05489	1.0
83.01119	0.8
85.02921	2.9
103.05471	3.7
105.07037	1.1
107.04989	1.6
114.47390	0.7
127.69008	0.8
129.95830	0.7
130.08647	0.9
131.04938	11.5
133.06473	4.3
137.05983	5.3
147.04381	0.7
148.05154	2.6
149.05997	1.7
151.07535	1.4
161.05975	12.3
162.34373	0.8
163.03899	13.9
163.07552	12.3
165.05478	4.1
166.02612	0.9
167.07030	85.3
170.09616	2.5
177.05458	10.8
177.09135	0.9
179.07033	4.5
181.04950	100.0
189.05504	3.9
189.09129	2.8
191.07045	4.2
193.08601	51.2
207.06531	16.6
209.08018	1.3
225.07390	0.9
251.07059	0.8
268.07394	0.9
282.08664	0.9
283.09595	4.6
297.11270	5.6
300.09906	4.1
309.64270	0.7
311.09152	3.1
325.10803	1.3
329.10300	1.5
331.15323	5.1
343.11749	90.0
361.12802	61.0
379.13846	65.7
409.15750	0.8
537.32080	0.7
558.20984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82082	0.2
69.03422	0.5
70.06598	2.0
72.08148	1.5
84.08135	1.5
85.02921	2.7
86.09732	0.3
92.72726	0.3
97.02885	0.5
99.04456	0.3
107.04964	1.1
109.02899	0.4
112.11196	0.4
114.10326	0.3
115.08720	0.2
121.06451	0.3
123.04424	0.4
127.03938	0.5
145.02849	0.3
149.06004	1.5
151.03912	19.6
161.05978	0.5
163.03917	3.6
165.05586	0.3
166.08682	0.2
167.07042	100.0
177.05531	0.4
177.09094	0.5
179.07033	0.6
181.08545	1.0
193.08612	4.0
211.09671	13.7
220.09695	1.8
222.11238	0.3
225.07680	0.3
237.52837	0.3
253.04715	0.3
255.29018	0.3
260.54929	0.2
290.14139	0.3
324.08633	1.3
361.12875	8.1
379.13895	4.9
399.43585	0.3
558.22119	2.5
558.28503	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	558.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49283	1.7
55.01878	8.1
58.06610	2.1
61.63762	1.5
65.53696	1.8
69.03433	1.8
69.44525	2.0
70.06592	22.7
72.08149	13.0
73.02917	27.2
79.05506	3.8
84.08146	3.7
85.02903	10.5
91.05482	12.9
92.17880	2.8
93.03396	10.5
93.07008	3.1
95.04994	16.4
97.06568	2.6
103.05426	3.0
106.04172	12.9
107.04962	32.1
109.02860	3.7
109.06516	2.7
111.04456	14.1
112.07630	2.4
114.10287	4.3
115.08731	2.6
119.04999	2.2
121.06502	31.0
123.04456	31.6
125.05988	9.0
134.03607	3.2
135.04460	15.3
137.05949	4.2
139.03900	12.3
140.04691	75.2
141.05476	12.0
147.04460	2.4
149.05975	47.7
151.03917	3.0
151.07530	23.4
153.05472	2.7
153.09113	12.4
155.07027	79.2
163.03909	21.3
163.07591	2.9
165.05443	3.0
165.09081	1.9
167.07022	38.1
177.05460	34.0
179.01689	2.6
179.07031	4.4
181.08572	28.6
191.07042	11.8
193.08653	3.2
195.06551	28.0
207.08817	2.1
209.08102	100.0
211.09605	14.4
220.09708	2.2
223.04237	56.4
227.09134	52.0
288.07248	1.9
295.09488	2.1
312.09033	19.1
325.22339	1.9
330.10104	16.7
558.26501	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	557.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
56.72552	0.5
57.03448	0.9
58.06625	1.0
59.91429	0.6
69.03438	5.2
69.07059	1.0
70.06605	2.9
71.05000	1.1
72.08156	0.9
73.02922	0.9
81.03429	3.0
81.07092	2.6
85.02916	14.1
85.08934	0.8
86.03250	1.4
86.09719	0.8
87.00863	4.7
93.07052	0.8
95.08646	1.1
97.02908	5.8
97.06574	0.9
97.71954	0.7
98.03254	0.8
99.04476	1.5
100.11268	36.7
101.11604	9.3
105.01878	11.9
105.07056	0.7
107.08622	0.9
109.02911	2.9
109.10170	1.3
112.31347	0.7
114.09181	0.7
114.42973	0.7
119.08588	0.8
119.48037	0.7
121.10137	0.8
127.03925	9.2
128.04245	2.1
138.83891	0.6
144.08179	0.9
145.04988	2.5
149.13306	1.1
160.07578	33.9
161.08368	0.7
161.32259	0.6
168.28546	0.6
170.09744	2.7
174.09169	1.1
174.97000	0.8
186.09149	100.0
187.09929	36.7
217.13361	6.1
218.14145	31.7
231.05147	2.9
232.05392	1.4
249.06171	1.4
250.06645	1.2
309.28171	0.9
384.24371	2.7
405.25928	2.4
557.35175	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.7
72.16051	0.4
78.59189	0.3
85.02895	0.7
86.03223	0.4
94.08399	0.4
94.40067	0.4
96.65303	0.5
103.81658	0.4
105.01885	0.6
160.07579	33.8
161.08351	1.5
161.68588	0.4
170.09685	0.8
174.09137	1.9
175.09912	0.5
186.09143	100.0
187.09927	35.6
202.10999	1.7
202.52992	0.4
215.56445	0.4
217.13341	5.3
218.14149	27.7
384.24176	2.3
436.20343	0.5
557.34900	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51558	0.5
54.55153	0.5
69.03438	2.4
72.08194	0.8
81.03417	0.8
84.55154	0.6
85.02906	6.4
86.03268	0.9
87.00827	3.3
87.70200	0.6
97.02910	2.6
98.03217	0.6
105.01855	4.4
109.02906	1.4
127.03921	3.9
144.08154	1.1
160.07576	33.6
170.09691	3.9
174.09166	0.9
186.09146	100.0
187.09927	31.8
187.11499	1.1
188.56335	0.7
202.10992	1.4
203.11841	1.3
217.13351	5.9
218.14146	27.1
218.16205	1.0
384.24164	1.1
440.63477	0.7
557.35022	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06677	0.2
58.06593	1.0
70.06598	0.2
75.33263	0.2
78.90745	0.2
85.02862	0.2
92.00932	0.1
93.68757	0.2
150.69389	0.2
160.07574	37.2
161.08357	0.9
170.09634	1.8
173.08228	0.2
174.09200	1.7
175.09900	0.3
176.10672	0.3
186.09146	100.0
187.09926	36.7
198.09218	0.2
202.10950	1.4
203.11761	1.0
204.12570	1.0
212.10725	0.2
215.11826	0.3
217.13361	5.9
218.14145	27.3
219.15071	0.2
240.13982	0.2
242.15541	0.2
285.19635	0.8
384.24109	2.0
500.29468	0.3
557.34863	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83068	1.0
58.06607	1.4
70.06586	9.1
72.08166	12.4
84.04527	1.4
84.08145	2.9
85.02919	2.5
93.10033	1.2
93.49260	1.5
112.11238	2.2
123.04414	6.9
145.02808	1.4
162.05486	25.6
163.03896	5.1
165.05460	6.1
177.05417	2.9
188.07079	6.1
188.73276	1.5
206.08124	41.6
220.09619	1.5
222.11177	5.0
230.08138	2.3
236.12793	8.7
248.09132	10.2
261.12366	1.7
287.13953	13.0
290.12564	3.0
293.18631	3.1
304.16730	1.4
305.14948	100.0
310.21188	1.5
519.71912	1.5
557.30670	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19853	0.3
57.36733	0.3
58.06603	0.6
61.03752	0.4
61.08191	0.4
67.06374	0.3
71.95280	0.4
84.08128	0.9
104.05293	0.5
108.61791	0.4
120.08102	1.6
129.10199	0.8
144.08084	26.7
145.08882	1.0
147.04338	0.4
158.09637	2.0
163.03853	1.0
170.09644	100.0
171.10425	27.2
186.11537	0.8
201.13869	6.0
202.14645	19.2
285.19580	0.6
557.27625	3.3
557.34869	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2004
Annotation	Roritoxin D
Peak:m/z	Relative Intensity
61.47779	2.1
99.03648	2.9
103.72551	2.8
167.07066	4.7
174.40070	2.4
383.14972	5.6
497.18185	3.5
535.23505	2.6
539.84631	2.6
557.11798	5.1
557.19922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46040	0.4
54.04078	0.3
56.51098	0.4
72.08170	0.8
74.10877	0.4
83.10189	0.4
84.08147	0.5
95.01103	0.4
113.02129	1.9
130.36148	0.4
141.05255	0.6
154.93346	0.4
157.04659	0.5
169.04730	1.9
185.04239	3.3
190.42665	0.4
199.56923	0.4
201.03714	0.9
203.05235	4.0
217.04697	1.5
232.07057	13.0
233.08028	0.7
245.06277	3.5
259.07895	2.7
287.07300	0.6
315.08514	0.5
331.10052	2.5
347.09473	11.3
404.03998	0.4
441.03760	0.4
557.18433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33867	1.0
63.80815	1.0
71.27104	1.3
78.34541	0.9
78.58544	1.0
81.03422	2.0
91.83422	1.0
92.18424	1.1
95.43569	1.2
99.04464	2.8
109.02877	2.5
115.03941	5.5
117.03394	7.2
127.03905	2.4
127.08637	1.3
145.02852	45.9
148.07892	1.1
149.06062	1.3
169.04944	15.7
177.05472	100.0
186.09142	4.4
251.43890	1.1
285.07678	2.5
303.08585	2.4
318.79797	1.2
345.06018	1.3
345.09616	9.1
514.14673	1.4
557.34698	2.2
581.06439	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	556.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	59.8
62.84895	1.0
65.26789	1.2
65.74831	1.1
67.05181	1.2
69.07054	5.2
71.08276	2.3
71.08636	40.8
73.06561	2.9
85.09698	2.1
85.10187	34.3
87.04462	7.4
89.06036	100.0
92.07353	1.2
97.10161	6.1
99.11697	1.3
106.31799	1.6
111.11738	1.5
117.09134	3.1
133.08607	33.1
136.72084	1.2
144.10223	1.2
177.11179	9.4
211.78435	1.2
221.13968	2.3
243.93846	1.3
256.44983	1.2
256.79971	1.3
257.24805	5.1
277.36035	1.4
277.80875	1.4
281.09860	1.2
283.17688	1.9
301.27414	6.9
327.20093	1.4
371.22852	14.5
420.58957	1.5
539.41608	68.2
556.44196	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
75.70837	1.1
80.15325	1.2
89.82011	1.1
101.00882	2.7
119.01900	3.0
127.02430	1.8
141.03944	1.3
143.01912	41.0
145.03510	8.9
155.01871	17.2
159.05054	6.3
159.76143	1.4
161.02936	27.6
167.01901	8.8
169.03455	35.2
171.01414	2.5
173.02982	12.6
181.04944	1.4
185.02980	42.2
187.04526	40.2
189.02426	10.5
197.02879	1.7
199.04514	1.4
203.03993	12.8
211.04448	1.6
213.02460	12.1
223.04485	1.6
227.04004	30.7
231.03490	23.4
245.05093	50.8
257.01410	8.9
263.06168	7.8
275.02481	40.0
287.02631	1.3
293.03500	2.9
305.07095	2.0
323.76990	1.5
335.04642	5.0
377.05670	5.0
383.10309	6.7
384.39304	1.4
395.06790	14.4
437.11340	1.6
465.26785	1.4
469.48514	1.2
521.10254	2.9
539.10822	18.4
557.12012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69189	1.5
57.07083	16.9
59.59194	1.7
59.65432	1.9
66.96954	1.7
71.08640	10.6
85.10178	7.1
87.04497	2.3
89.06032	100.0
96.56952	1.5
103.62130	1.8
105.35423	1.8
133.08612	36.1
177.11217	7.8
190.23630	2.0
327.58963	1.8
371.22784	53.5
456.85330	2.1
460.29355	1.9
539.41699	14.8
556.27155	2.6
556.36652	3.0
556.44415	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11089	0.5
55.05506	1.1
55.64433	0.6
58.75723	0.6
59.84168	0.5
70.06599	81.7
71.24390	0.6
72.08162	17.9
75.30949	0.5
81.03388	0.8
81.07065	1.0
81.25317	0.6
84.08130	3.7
84.08599	0.6
84.50840	0.6
85.02901	4.3
86.09216	1.1
86.09710	28.7
87.00835	1.5
90.77696	0.6
96.84624	0.6
97.02898	1.0
97.06525	0.7
98.06047	3.0
104.83109	0.6
105.01855	1.2
106.82458	0.6
112.07586	1.4
115.08715	5.1
121.06529	0.7
126.05471	1.2
126.12704	0.6
127.03913	2.5
130.04962	0.7
131.18398	0.6
134.06004	4.2
136.07599	1.0
136.43498	0.7
137.07085	1.2
138.12788	4.1
140.07121	0.7
144.08099	5.9
145.05046	0.9
145.08408	0.9
165.13847	1.0
169.13376	7.4
170.09648	19.1
171.10106	9.1
172.10771	2.8
176.10130	0.7
180.12534	0.9
181.13338	3.9
183.14888	4.2
191.11797	1.3
195.13530	0.8
197.12851	4.0
201.13940	1.1
202.12288	13.5
202.14604	5.5
203.15002	1.3
204.13812	0.9
209.12859	15.8
224.20131	0.8
231.04948	0.8
247.14410	0.9
264.20773	3.2
278.08014	0.8
290.18448	1.0
294.13852	0.6
308.19598	7.1
322.21695	0.7
339.36911	0.7
360.22937	1.1
369.25186	0.7
388.22949	0.7
421.28360	1.1
439.27267	1.0
443.26633	1.3
457.28278	5.2
474.40726	0.8
511.33069	1.4
538.29718	1.0
556.35162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70241	0.5
51.79420	0.6
52.75505	0.6
55.05516	1.3
57.31844	0.6
69.43517	0.7
70.06597	88.3
72.08160	17.7
84.08132	3.7
84.29053	0.7
86.09708	35.9
92.17906	1.0
98.06039	3.5
115.08746	5.4
115.09402	0.7
118.03241	0.8
125.07117	0.9
126.05520	1.8
134.06000	4.8
136.07552	3.0
137.07082	1.0
138.12784	6.2
141.10176	0.8
144.08063	4.9
145.08372	1.4
153.08997	0.9
165.13828	1.0
169.13380	10.1
170.09645	20.5
171.10049	9.1
172.10753	1.7
180.12506	1.1
181.13344	5.4
183.14978	3.6
192.77826	0.8
197.12790	3.8
197.16614	0.9
202.12256	13.9
202.14557	4.9
203.14944	2.8
209.11026	1.3
209.12842	20.8
212.96452	0.7
225.16057	1.1
241.11943	0.9
247.14325	1.0
264.20612	3.3
270.18448	0.8
275.13788	0.9
280.58539	0.7
283.38370	1.0
290.18759	1.3
308.19669	9.5
344.19757	1.0
360.22726	2.9
388.22162	1.0
421.27954	0.9
426.24225	0.9
439.26724	1.0
457.28143	5.3
539.32092	1.0
556.35071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06083	13.9
62.24175	1.8
69.03442	3.7
69.07055	4.0
74.90200	1.7
81.03447	2.3
81.07069	2.0
85.02914	17.1
87.04437	2.1
93.07066	3.1
95.08611	3.2
97.02885	8.1
97.06532	8.5
106.46873	1.8
107.08604	13.5
109.02840	2.1
109.10164	3.9
119.08601	4.5
121.10166	14.5
123.11726	2.6
125.69506	1.9
127.03904	4.0
131.08597	3.3
133.10138	25.4
135.11699	74.5
143.08554	2.3
145.04980	2.3
145.10210	3.5
147.68756	2.4
149.09607	12.6
155.08511	1.8
157.10149	2.4
161.13281	7.6
163.07539	19.8
171.11705	8.6
172.74710	1.9
173.13202	3.9
175.07526	9.5
177.09106	3.3
183.11664	2.9
185.13284	12.2
187.14844	12.4
195.11739	2.4
199.11176	9.7
201.12787	2.9
206.60596	2.2
209.13312	8.9
211.14917	8.2
213.12779	10.3
220.13301	2.4
224.12886	9.3
227.14296	14.2
229.15958	2.4
236.12856	10.0
237.16324	3.1
241.19501	23.3
247.49205	2.2
251.17899	13.6
253.19565	6.9
255.13907	3.1
255.17441	8.8
269.19025	51.2
271.20496	9.2
279.17380	19.4
287.20242	7.9
290.96765	2.0
297.18427	15.7
330.24384	3.0
340.22690	13.5
348.25363	4.1
358.23752	100.0
376.24823	90.5
403.93039	2.5
427.74039	2.1
510.30722	59.3
538.30048	27.1
556.31128	3.2
572.79498	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	556.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01870	5.0
57.03440	2.6
61.02929	2.8
64.73388	1.3
66.60767	0.9
69.03435	29.4
69.07049	8.4
71.04987	2.9
73.02921	4.4
73.26394	1.0
81.03421	14.4
85.02908	100.0
85.07611	1.3
87.00836	48.9
87.04452	1.1
92.06088	1.2
97.02896	41.9
99.04447	17.5
105.01872	83.9
106.08510	1.2
109.02876	33.3
127.03916	78.5
129.01820	1.7
132.86224	1.2
144.08109	6.1
145.04971	26.5
145.08504	1.4
159.02878	14.8
167.16917	1.3
170.09613	14.8
171.10153	5.1
189.03958	2.0
202.14674	1.6
213.03966	6.5
231.04996	36.4
249.06012	37.5
256.15512	1.3
271.08142	2.0
330.08841	1.2
393.10327	6.4
556.29541	1.5
556.37042	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	556.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12345	1.3
53.03955	1.3
54.06635	1.5
54.77696	1.7
55.01875	2.1
55.05517	1.6
57.03437	2.1
60.45566	1.3
61.02934	2.1
61.71490	1.4
69.03436	23.7
69.07072	10.9
71.05002	2.0
73.02924	3.3
80.74382	1.4
81.03426	18.4
85.02913	100.0
87.00844	39.9
87.40311	1.8
97.02895	37.6
99.04453	14.7
105.01877	79.1
109.02900	28.8
127.03922	82.5
129.01787	2.5
145.04996	21.3
147.02818	3.0
147.85858	1.8
159.02902	10.9
175.07507	1.9
199.71944	1.4
213.03946	5.7
231.05003	34.7
249.06073	31.5
250.96083	1.7
302.56210	1.6
316.66403	1.3
357.08368	1.7
373.23508	1.5
375.09100	3.3
385.20337	1.9
393.10138	3.3
440.79074	1.8
532.04895	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	556.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.01881	2.4
57.03447	4.8
60.09052	0.9
61.02925	5.8
61.70139	1.1
64.71857	1.1
66.00035	1.2
68.99791	1.6
69.03436	27.5
69.06736	0.9
69.07063	7.9
71.04992	2.7
73.02919	2.0
79.54178	1.1
81.03432	19.4
81.07056	1.4
84.93913	1.1
85.02914	100.0
87.00833	37.6
90.65675	1.1
95.08611	1.3
97.02899	40.7
99.04468	16.1
105.01881	81.6
109.02884	30.4
114.09182	1.6
117.01862	1.7
127.03922	81.2
129.01848	2.5
144.08151	1.4
145.04961	26.8
146.05937	1.1
147.02873	2.1
147.07037	1.1
159.02908	9.6
170.09697	1.5
171.18518	1.1
180.26051	1.1
189.03909	2.3
213.03969	6.0
231.05009	40.8
249.06061	39.0
253.07207	2.0
287.90695	1.1
332.45407	1.5
341.16086	2.4
363.66254	1.2
393.10303	2.7
444.17090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28712	0.4
58.23317	0.5
58.29002	0.4
74.10851	0.5
79.91391	0.5
85.02896	0.9
103.05466	0.8
112.96991	0.5
114.28354	0.5
122.03629	0.5
131.04941	9.5
137.05992	24.6
137.83118	0.5
157.06474	1.2
161.06007	0.8
163.07549	36.4
175.07553	100.0
185.05963	2.4
189.09074	2.4
191.07053	8.8
193.08580	0.5
195.86348	0.5
205.08598	10.0
205.10413	0.6
209.08124	5.1
217.08559	3.6
235.09665	64.1
256.45914	0.5
299.12811	2.4
341.13870	26.4
359.14935	4.8
439.58054	0.5
579.13342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21196	0.3
62.61364	0.3
72.08152	1.3
79.56626	0.3
88.83521	0.3
93.87087	0.3
103.05504	2.3
107.04920	0.7
116.56534	0.3
120.08112	100.0
131.04939	4.0
149.05963	3.6
166.08638	52.5
167.07066	3.3
181.08623	1.8
184.77090	0.3
193.08607	0.4
211.09691	3.3
259.00272	0.4
269.74551	0.4
388.52026	0.4
556.20715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89341	0.5
56.05032	1.1
59.48869	0.6
61.76513	0.6
70.02958	20.6
72.08157	17.7
74.02460	1.0
76.04021	6.0
83.06106	0.8
84.04490	1.2
88.03958	1.4
89.10800	7.1
92.17863	0.8
99.05571	6.1
103.05083	0.9
109.07634	1.3
110.06042	0.8
116.03438	4.1
117.06638	3.1
126.05574	0.7
127.05005	2.8
129.06570	3.4
130.04993	6.5
135.05527	1.1
145.06082	100.0
149.00632	0.9
153.06567	7.5
155.08163	5.3
169.34219	0.7
171.07549	0.9
179.01607	3.2
181.06123	8.1
187.05365	1.0
193.03313	0.9
194.02693	5.7
195.01099	24.0
195.02811	0.9
199.07153	16.1
203.61710	0.7
205.79503	0.8
206.82814	0.7
207.01091	5.6
208.04250	1.4
210.08757	1.3
211.07156	13.5
219.01122	1.6
236.03804	5.6
256.09259	5.0
264.03293	6.7
265.10162	0.9
266.08459	1.2
283.11194	4.2
297.05347	1.2
320.63376	0.7
347.06894	0.7
427.16458	45.9
538.19598	20.6
556.20715	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75651	0.8
59.45306	0.8
69.03413	1.0
70.06609	0.8
70.63509	0.8
70.84628	0.9
85.02917	9.7
86.57291	0.9
97.02912	4.3
110.06600	0.9
121.06520	3.7
123.04450	1.5
127.03901	1.4
131.05017	1.2
137.05989	3.6
140.04698	1.8
144.06865	1.1
144.07977	1.0
144.27930	1.1
145.05005	1.0
149.05986	7.9
155.07043	5.7
162.07515	0.9
163.03906	4.0
163.07465	1.7
165.05531	11.8
165.06926	1.4
167.07034	100.0
172.27950	1.0
175.04048	0.9
175.07582	1.9
177.05470	4.2
179.07045	4.5
180.08675	4.7
181.04965	5.5
181.06352	2.1
183.08057	1.1
191.03299	1.5
191.07040	1.2
193.04930	7.7
205.04936	11.8
209.06149	1.4
209.08156	3.9
211.07547	4.3
223.07654	1.2
225.07596	4.1
237.05461	1.3
241.08646	1.5
251.06831	1.5
269.08051	6.1
281.08072	1.6
287.09070	4.0
295.05933	6.7
297.07587	2.2
309.07620	3.6
313.10684	3.5
315.08585	8.9
327.08600	5.3
329.10172	42.7
332.08881	19.5
341.10172	4.6
347.11249	45.2
359.11224	24.2
377.12299	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16374	0.7
65.03936	0.9
67.43720	0.7
75.04474	1.1
84.05635	1.8
91.05476	4.4
93.03410	10.2
93.07018	2.0
95.04983	1.2
103.05479	3.5
105.04559	0.9
106.04191	9.0
107.04954	3.6
119.04932	3.3
121.06518	12.1
123.04447	1.1
125.05988	5.4
125.06793	0.8
131.04933	1.4
134.03612	1.2
137.05992	19.6
145.02843	0.9
147.04454	1.2
149.05992	34.9
151.07521	7.0
153.09142	7.6
155.07043	1.0
163.03896	1.8
163.07550	1.3
165.05464	16.7
167.07050	23.8
169.86320	0.8
177.05469	19.2
179.07033	98.5
180.07805	1.1
181.08621	12.7
183.06541	4.9
186.09116	3.5
191.07085	6.2
192.07857	1.6
193.08710	1.2
195.06581	2.0
197.08012	8.4
209.08096	91.7
211.09688	1.7
223.04274	7.9
225.07579	100.0
226.15500	4.8
312.09052	1.2
385.12473	1.3
389.16534	1.0
405.15720	1.2
508.30838	0.9
542.14948	0.9
556.31604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05123	0.9
55.01905	0.8
69.03435	1.5
70.91243	0.7
72.02448	0.7
75.53664	0.8
85.02911	11.0
87.78185	0.8
95.04945	1.0
97.02896	3.9
107.04994	1.3
109.02905	0.9
110.27148	0.8
121.06525	4.1
123.04421	3.7
127.03944	1.2
132.77748	0.9
137.05966	2.0
139.07541	0.9
140.04662	1.4
145.04932	1.0
149.05980	8.5
153.68282	0.8
155.07071	7.8
156.14384	0.8
163.03912	5.1
165.05513	11.7
165.06914	1.2
167.07042	100.0
175.03951	1.2
177.05458	5.0
178.02513	0.9
180.08707	3.5
181.04979	3.9
181.06422	1.2
181.08691	1.0
183.08020	2.8
191.03358	1.0
193.05031	6.8
195.08072	0.9
205.04991	9.5
209.06142	1.4
209.08119	5.4
211.07471	1.5
223.06053	1.4
241.08612	1.5
251.07002	0.9
254.05772	1.1
255.06467	1.0
269.08084	6.7
287.09146	4.7
295.06100	5.4
297.07645	3.3
309.07455	1.2
313.10696	3.2
315.08664	11.7
327.08737	3.5
329.10251	43.3
332.08951	23.6
341.10034	5.8
345.09805	1.0
347.11243	45.4
359.11279	29.0
359.15796	0.9
377.12338	53.9
413.89276	1.0
453.45712	0.9
493.20230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51261	0.5
55.01881	0.7
56.77245	0.4
65.03949	0.9
70.06602	1.7
72.08163	2.0
75.04480	1.2
78.04636	0.4
81.07031	1.0
84.08147	5.2
85.02902	2.3
91.05476	4.1
93.03414	9.6
93.07027	3.2
95.04951	2.7
96.48775	0.5
97.06523	0.5
98.09685	0.9
103.05453	2.6
105.03415	0.7
105.07038	0.7
106.04178	9.2
107.04964	2.1
107.08669	0.5
109.06496	0.8
117.25067	0.4
118.04131	0.5
119.04919	1.1
121.06513	15.8
123.04433	0.7
123.08086	1.0
125.05975	4.8
126.09156	0.7
126.49168	0.5
127.07544	3.5
128.07057	1.2
131.04878	2.6
132.05702	0.8
133.06497	0.6
134.03633	0.9
135.04324	0.5
136.05122	1.0
137.05981	15.4
139.07498	0.9
145.02870	0.5
147.04419	2.2
148.05209	1.0
149.05981	31.8
151.07542	8.5
153.05406	0.9
153.09090	7.6
155.06981	1.2
161.05968	0.7
163.03979	3.7
163.07539	1.2
165.05464	14.0
167.07018	5.3
177.05464	19.2
179.07028	88.0
180.07803	0.8
181.08588	12.2
183.06592	4.1
191.07036	8.0
192.07831	2.5
193.04921	0.8
193.08632	0.7
195.06445	1.1
197.08109	7.0
209.08092	95.8
223.04253	9.8
225.07571	100.0
251.09157	2.0
312.09018	1.2
333.25620	0.5
375.14218	0.5
382.11359	0.5
385.13266	0.6
389.90427	0.5
405.15768	1.7
417.15497	3.2
512.21802	1.1
556.27209	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	555.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64900	2.8
55.05513	7.3
55.46346	2.5
57.07076	20.1
67.05515	34.2
69.03427	3.4
69.07074	21.9
70.63812	3.1
71.04980	5.9
71.08656	3.2
79.05503	13.2
81.07069	54.7
83.08617	14.1
85.06544	19.1
86.24532	3.4
89.50606	2.8
90.66977	3.4
91.05482	5.7
92.17814	6.5
93.07043	18.7
95.08628	36.0
97.06528	7.2
97.10206	5.4
104.41080	3.2
105.07050	3.5
107.08612	13.1
109.07973	2.7
109.10152	17.9
111.08086	14.7
117.48145	3.1
121.10143	29.0
123.11707	7.7
133.10133	6.1
135.11752	5.4
139.11215	5.7
139.52689	3.0
149.09628	4.1
149.13278	6.7
151.11195	4.8
153.12762	5.2
164.04665	7.0
233.19156	4.0
251.20049	100.0
269.21219	24.1
446.65967	3.1
476.76666	3.3
555.34857	4.7
555.42639	49.5
582.39832	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	555.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49015	0.3
54.14081	0.3
55.40624	0.3
58.06592	0.5
75.29542	0.3
91.18396	0.4
91.99176	0.3
92.18340	0.4
108.69187	0.4
144.08086	27.8
145.08894	0.8
158.09668	1.5
170.09644	100.0
171.10425	25.7
171.11894	0.8
182.81932	0.4
186.11436	0.7
187.12248	0.5
201.13869	3.9
202.14650	16.7
225.66168	0.4
269.20056	0.6
357.70844	0.5
555.36938	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3703
Annotation	Muscanone
Peak:m/z	Relative Intensity
79.31525	0.5
80.17572	0.5
84.95731	0.5
102.08790	0.5
130.04694	0.4
131.28772	0.5
144.08096	24.5
145.08852	0.7
154.14841	0.5
158.09689	1.1
170.09650	100.0
171.10431	25.6
171.16982	0.6
178.18190	0.5
186.11548	0.8
201.13881	4.0
202.14653	16.4
207.94177	0.5
257.12207	0.5
324.68988	0.6
357.86743	0.6
404.50647	0.6
555.36993	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3702
Annotation	Muscanone
Peak:m/z	Relative Intensity
52.95899	0.2
58.06596	1.3
70.06609	0.3
83.53754	0.3
94.18089	0.3
102.31860	0.3
117.09664	0.3
117.21574	0.3
144.08095	27.2
145.08846	0.5
145.55020	0.3
158.09633	1.9
159.10492	0.4
170.09644	100.0
171.10422	23.7
171.11899	0.7
186.11552	1.3
201.13863	5.7
202.14653	14.1
212.14264	0.3
242.42899	0.3
269.20108	0.6
281.19214	0.4
380.44876	0.3
389.90271	0.3
453.90881	0.3
555.36951	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91327	0.3
58.06589	0.9
72.08150	0.6
75.98016	0.4
93.60732	0.4
103.71561	0.4
110.07202	0.6
116.89295	0.4
125.87999	0.4
144.08090	25.6
145.08896	0.7
154.73247	0.4
158.09637	2.4
158.81613	0.4
170.09641	100.0
171.10419	27.4
187.12309	1.6
199.12320	1.8
201.13869	7.0
202.14651	21.1
269.20114	0.6
284.01233	0.4
354.17117	0.5
368.24576	5.1
555.36963	63.5
574.37256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.5
92.49727	0.3
93.07033	0.3
94.68668	0.3
97.06527	0.5
105.06967	0.3
109.10144	0.3
123.14486	0.3
135.08113	0.4
144.08090	27.3
145.08846	1.3
145.12489	0.4
147.11790	0.3
158.09679	2.6
170.09647	100.0
171.10417	25.7
186.11501	1.2
187.12355	0.6
201.13858	5.4
202.14651	16.4
209.71092	0.3
214.18155	0.4
221.98358	0.3
226.15906	0.4
269.20209	0.4
272.22986	0.4
375.08572	0.3
443.96127	0.3
555.36951	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	1.3
58.40219	0.3
67.05489	0.4
70.57975	0.4
73.30385	0.3
79.05466	0.4
81.03435	0.5
81.07045	0.5
85.06552	1.1
93.07053	0.4
100.11223	0.7
105.06947	0.4
127.03941	0.6
135.08020	0.7
138.35287	0.3
144.08092	26.8
145.08850	1.6
152.10684	0.5
158.09662	1.8
170.09647	100.0
171.10428	30.5
187.12361	1.4
199.12329	1.4
201.13881	7.3
202.14653	24.6
220.72820	0.3
269.20270	0.8
271.24261	0.4
288.50876	0.3
289.25302	0.5
298.20895	0.3
307.26553	0.4
337.64471	0.4
368.24609	4.4
392.89966	0.4
555.37042	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.37
Annotation	Muscanone
Peak:m/z	Relative Intensity
53.86340	0.2
54.22484	0.2
57.18945	0.3
57.51648	0.2
57.90810	0.2
58.06581	0.5
59.72078	0.2
70.06578	0.6
72.08137	0.4
81.07043	0.5
81.35688	0.3
85.02905	0.4
92.18462	0.4
93.07005	0.4
95.08596	0.3
106.41035	0.3
107.54848	0.3
121.10098	0.5
123.83712	0.3
127.03896	0.3
144.08090	25.9
145.08865	1.2
158.09731	2.1
159.10432	0.5
163.03917	0.5
170.09641	100.0
171.10419	28.9
186.09206	0.3
187.12285	1.8
196.93352	0.3
198.12910	0.3
199.12276	2.6
201.13875	6.6
202.14642	23.3
204.10204	4.8
236.13062	0.4
245.12868	0.3
269.20087	0.6
303.17017	7.3
307.22781	0.3
368.24573	4.2
442.01355	0.4
511.25891	0.3
555.37170	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	555.3174
Annotation	PF1070B
Peak:m/z	Relative Intensity
50.47487	0.2
55.05526	0.2
69.03430	0.2
70.06584	1.8
72.08150	1.1
79.75986	0.2
81.72758	0.2
84.08147	1.0
84.15762	0.2
85.08933	2.5
86.09711	0.4
100.11264	100.0
121.56637	0.2
129.10263	0.2
145.62770	0.2
186.84827	0.2
230.08397	0.2
280.34433	0.2
296.15344	0.2
386.24683	0.5
403.27130	4.2
425.21109	0.4
450.86136	0.2
537.30902	1.4
538.29840	0.4
542.03046	0.2
555.19037	0.5
555.31946	16.2
570.04523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3695
Annotation	Muscanone
Peak:m/z	Relative Intensity
58.06585	0.6
58.33554	0.2
71.29506	0.3
77.10574	0.4
85.25644	0.3
92.17834	0.4
144.08093	26.9
145.08870	0.6
158.09660	2.7
170.09648	100.0
171.10425	29.3
187.12407	1.3
199.12312	2.8
201.13869	7.9
202.14651	23.4
208.80627	0.3
253.30000	0.3
269.20139	0.6
359.94360	0.3
368.24576	4.5
555.36969	69.0
570.15613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69414	1.1
53.24355	1.4
54.96963	1.0
55.05515	4.7
56.70899	1.1
57.03437	6.1
57.07082	32.5
64.57864	1.1
67.05499	6.8
69.07063	7.8
71.08633	23.2
79.05501	1.7
81.03419	8.0
81.07079	16.1
81.36735	1.3
83.08633	10.7
85.10181	12.9
95.08601	21.3
97.10166	3.2
98.98466	60.6
99.04447	1.8
109.02879	2.8
109.10152	11.7
123.11745	4.7
130.10010	1.4
136.03102	1.3
155.01035	100.0
168.76172	1.3
170.09628	3.0
239.23721	2.7
313.27350	68.5
317.06381	8.7
332.42615	1.3
393.24063	12.7
401.28998	6.3
537.28314	16.7
555.28235	2.2
555.35962	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	555.282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38916	0.3
56.93435	0.3
58.06587	0.5
62.63808	0.3
66.77017	0.3
69.03434	0.4
70.03555	0.3
70.06598	17.0
72.08162	6.7
84.08131	2.8
85.02908	0.4
87.04461	2.1
95.85291	0.4
98.06079	1.4
98.09695	2.7
110.09732	0.5
112.11242	3.5
112.24173	0.4
113.07131	2.8
114.09145	0.6
116.07100	1.3
120.75629	0.3
122.06075	0.6
126.09180	0.4
129.13890	1.8
135.04491	0.5
145.02919	0.7
155.11795	18.7
155.13062	0.7
162.05482	2.2
163.03905	25.4
169.13327	0.5
172.14447	5.7
174.05487	0.4
188.07114	0.5
192.10176	1.3
199.44722	0.3
204.10237	0.4
206.08153	2.3
208.09651	2.8
219.08978	1.6
219.11201	0.6
220.09686	59.8
230.08110	5.2
232.09700	0.6
233.12856	1.5
235.14447	2.7
248.09180	6.0
250.10887	1.4
264.17255	0.5
274.38763	0.3
275.35355	0.4
278.18588	11.4
291.17020	0.7
301.15353	0.6
308.19821	0.4
318.18243	0.4
319.16553	2.7
340.11923	0.6
342.13406	2.7
350.20816	0.4
375.23999	0.8
376.22281	3.1
393.24976	0.8
406.05820	0.4
511.25058	0.4
516.27985	0.4
537.27014	2.2
538.25269	0.6
555.28174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	1.4
59.92666	1.1
70.06602	6.3
72.08167	17.7
84.08154	5.9
102.24372	0.9
110.09708	1.4
112.11253	4.9
114.10317	1.1
123.04485	3.7
129.13913	1.4
135.04420	1.3
145.02873	6.7
155.11847	1.6
162.05499	5.1
163.03902	73.8
165.05429	1.3
177.05443	9.0
206.08119	10.5
209.01009	1.1
219.11331	1.2
220.09682	75.1
222.11288	1.7
230.08279	1.3
234.11165	1.5
248.09256	1.7
301.15457	1.8
305.15039	12.7
319.16519	8.1
332.19821	2.1
376.22498	5.6
393.24802	7.4
399.19308	1.1
411.00024	1.2
555.28290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36214	0.3
58.06601	0.5
67.05524	0.3
69.03437	0.4
70.06600	15.5
70.06985	0.6
72.08162	9.7
84.08168	2.3
86.09715	1.5
87.00859	0.3
87.04481	2.2
89.10786	0.6
98.06049	0.7
98.09691	2.6
100.11257	1.3
104.19675	0.3
105.01859	0.4
107.64420	0.3
109.10173	0.7
110.07175	0.3
110.09666	0.5
112.11238	2.8
113.07111	2.7
114.09215	0.7
116.07121	2.3
122.06040	0.5
126.09148	0.6
127.03951	1.0
129.10286	0.3
129.13834	0.4
137.06004	0.6
145.02803	0.8
155.11804	16.5
162.05464	2.7
163.03897	18.7
167.06956	0.3
169.13354	0.7
172.14439	6.2
177.09055	0.5
182.12592	0.4
184.52589	0.3
188.07123	0.4
190.08630	0.4
192.10387	0.9
193.08690	0.4
204.10258	0.5
206.08081	2.5
208.09627	3.3
212.07086	0.5
219.08937	1.4
219.11299	1.2
220.09692	51.9
230.08093	4.0
232.09729	1.5
233.12900	1.9
235.14574	0.5
245.13112	0.4
248.09113	5.4
250.10741	0.6
256.09811	0.7
262.08603	2.2
264.06479	0.6
264.17026	0.6
273.15857	0.3
278.18619	10.9
278.21475	0.6
289.15704	0.4
290.08167	0.3
291.17160	1.2
293.15674	0.4
294.16962	1.2
301.15588	0.6
305.14685	0.4
307.12747	1.2
317.09207	1.1
319.10873	1.2
319.16592	2.0
330.26999	0.3
335.10376	1.4
340.12076	0.4
342.13474	1.9
348.12347	0.4
350.20712	0.5
358.21301	1.3
363.09830	1.7
375.24023	0.6
376.22281	2.3
381.10898	1.6
393.24921	1.6
409.22083	0.4
422.22998	0.3
433.19107	0.4
442.19861	0.5
451.19720	0.3
493.21054	1.4
511.21951	3.9
537.27173	1.4
538.25336	1.3
555.28192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51595	0.3
58.06599	0.5
62.20134	0.2
65.14609	0.3
70.06582	1.4
72.08128	0.5
77.40102	0.3
81.03416	2.3
81.39885	0.5
84.04520	0.6
84.08138	0.8
86.09702	0.7
100.11220	0.4
127.04919	0.3
129.10242	0.4
131.04958	0.4
137.05954	2.6
144.08092	26.1
145.08908	0.7
151.03934	1.4
158.09608	1.3
161.06061	0.5
163.07567	0.4
164.71565	0.4
170.09647	100.0
171.10425	25.1
183.11348	0.4
187.12297	0.8
201.13853	4.7
202.12927	0.6
202.14653	11.4
203.06973	0.4
205.08543	0.7
431.85602	0.4
555.27039	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36871	0.3
52.53733	0.3
59.04882	1.3
60.05657	0.6
61.71293	0.3
63.03465	0.4
65.15539	0.3
67.05512	0.6
69.03414	1.0
70.06607	2.8
72.08153	4.1
73.06424	14.4
81.03413	0.6
84.04503	0.4
84.08128	0.4
85.02910	3.3
86.07195	14.1
86.91438	0.4
87.00818	0.6
87.07475	0.6
87.07974	13.4
89.10754	0.4
94.22134	0.5
97.02928	0.6
97.07649	0.4
98.06026	0.5
100.08746	32.5
101.09507	0.5
105.01881	2.9
109.02913	0.8
109.10194	0.5
112.07645	0.4
112.08702	1.8
113.08370	3.7
113.09490	1.8
114.10284	2.2
115.08675	1.6
115.11055	0.7
127.03922	2.1
127.11042	0.6
130.12155	3.8
155.10486	0.7
157.10872	0.8
158.11705	0.8
163.03888	2.6
172.13185	14.9
177.09109	2.3
193.08588	2.0
204.12167	0.6
206.11940	0.4
220.09714	3.4
223.11929	0.5
231.05093	0.4
232.12057	1.8
234.13611	4.2
235.12025	5.1
244.41875	0.4
249.05908	0.5
260.11572	3.1
262.08737	0.8
277.14084	0.6
283.06168	0.4
293.16077	3.8
294.16876	100.0
295.17584	5.9
319.10669	0.6
363.09421	0.5
381.10712	0.8
432.30408	0.4
493.20773	0.8
511.22128	1.8
555.26495	9.0
556.32935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33469	0.5
56.70602	0.5
60.05644	0.7
70.06281	0.6
70.06592	5.5
72.08159	23.6
73.04047	0.8
73.07135	0.6
83.16063	0.6
84.08147	2.9
85.38719	0.6
86.07187	1.2
87.08009	0.9
94.39388	0.6
97.07645	2.7
98.06073	1.5
100.08736	2.6
104.17293	0.6
113.33239	0.6
114.10292	35.4
115.08694	16.5
131.12892	0.7
132.04562	0.8
146.05974	1.1
158.06050	0.8
163.03853	1.0
172.13214	1.0
172.58276	0.6
211.07051	0.6
241.80724	0.7
250.08620	1.1
268.09769	0.9
274.08569	0.7
278.08273	5.9
291.11194	4.4
292.09772	7.3
294.07587	1.2
294.16806	4.9
296.09421	0.7
302.08093	0.8
305.09290	0.8
310.09836	0.7
319.10834	7.2
320.09143	10.4
337.66736	0.6
347.10336	1.1
363.17114	1.5
365.11520	1.0
365.17410	0.7
390.18234	5.1
391.16504	5.9
405.19327	3.5
406.17679	1.3
408.18561	2.9
409.18716	1.4
425.20575	4.7
433.18857	5.4
434.17358	1.0
555.25641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68462	0.5
60.05659	0.9
65.26823	0.7
70.06593	1.5
70.96165	0.6
72.08163	15.3
73.04045	0.7
74.93255	0.8
82.51061	0.6
84.04510	1.4
84.08191	0.6
86.07181	0.9
87.08002	2.5
89.10822	0.7
97.07661	3.8
98.06068	0.8
100.08752	4.0
110.06056	0.7
114.10296	37.8
115.08694	9.7
130.06543	0.9
130.12135	0.8
131.12910	1.3
132.04445	8.5
136.03958	2.4
140.08189	0.7
146.06038	11.0
152.95705	0.6
154.50626	0.5
157.07625	1.4
158.06018	20.3
163.03960	0.9
165.05438	0.8
172.13138	0.9
173.07077	7.2
173.80424	0.6
174.05560	0.7
175.08737	3.7
179.01686	0.9
195.01250	0.9
197.02742	0.9
201.06639	1.6
202.04977	6.8
215.08232	2.6
217.09711	2.8
219.07671	3.3
221.02681	1.1
236.12854	2.8
250.08600	0.7
252.06543	1.2
266.08148	3.4
267.11526	0.9
268.10065	4.6
268.12534	0.6
278.08054	7.1
291.11685	1.3
292.09952	6.2
294.07614	4.6
294.16888	5.7
295.08362	2.7
304.06421	1.0
304.09729	0.9
310.12381	1.2
319.10822	4.2
320.09180	19.3
327.14880	4.3
334.12210	2.8
347.10278	1.1
348.08981	0.8
360.18918	0.7
390.18442	1.3
391.16385	1.1
408.18179	3.2
425.20529	6.1
433.18469	1.0
537.21124	4.5
555.25861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35120	0.4
60.05648	0.5
70.06259	0.5
70.06599	4.1
72.08162	20.4
73.06432	2.0
78.21382	0.5
84.04515	3.9
84.08130	1.2
86.07185	2.2
87.07961	2.7
89.10786	1.0
90.07357	0.5
97.07655	3.9
98.06041	0.9
100.08770	3.4
108.04474	0.5
108.98067	0.5
110.06048	1.1
114.10294	44.9
115.08697	8.6
116.81513	0.4
123.07120	0.5
123.11135	0.5
130.05019	1.0
130.06502	2.0
130.12120	1.9
131.12930	2.7
132.04453	11.7
136.03970	4.1
140.01672	2.7
140.08224	0.6
146.06026	13.3
149.35689	0.5
153.10023	0.6
157.07602	2.6
157.10887	1.1
158.06017	20.1
163.03905	1.2
165.05481	2.0
165.06732	0.6
172.13170	2.0
173.07097	8.0
174.05565	2.3
175.08632	4.2
183.41847	0.5
192.06557	0.7
193.06140	0.9
197.02716	0.7
201.06616	2.6
202.05005	6.7
211.07082	6.2
215.08220	3.0
217.09827	1.9
219.07642	4.8
220.04321	0.6
221.02676	4.7
235.14450	1.8
236.12784	3.5
243.04303	1.2
250.08682	2.9
252.06604	1.9
265.09998	0.5
266.08188	3.5
267.11713	0.6
268.09915	3.3
277.07364	0.6
278.08151	8.3
278.14975	0.8
291.11639	1.0
292.09772	3.4
293.09521	2.7
294.07538	4.1
294.16928	8.1
295.08347	2.6
302.08167	2.1
304.09799	0.9
319.10834	5.2
320.09140	19.2
320.12695	0.8
321.12225	0.7
327.14926	5.1
330.46536	0.5
334.12155	3.1
365.11395	0.9
365.17554	0.5
370.49976	0.6
383.12048	0.9
390.17917	0.7
391.16595	2.4
408.18045	2.3
416.15784	0.5
417.15790	0.9
425.20575	6.5
426.21100	0.6
433.18802	1.9
481.51935	0.5
520.18646	0.6
537.21069	7.8
538.22156	0.8
555.25824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67460	0.5
53.58375	0.5
55.05503	0.5
67.33913	0.4
69.03388	0.7
81.03403	0.6
84.04505	2.6
85.02892	0.6
88.11256	2.2
89.03911	0.7
98.06040	0.5
117.03391	4.4
120.08085	1.9
127.03922	0.6
145.02849	41.3
149.05983	2.6
151.03999	0.6
153.13860	0.8
171.14915	4.8
177.05466	100.0
186.09276	0.6
187.32539	0.5
199.14424	10.0
217.15504	0.5
239.74461	0.5
306.09827	0.6
313.09421	0.5
321.09863	0.8
339.10599	0.6
364.44162	0.6
365.10547	0.9
393.20093	2.5
490.29654	0.5
529.63226	0.6
555.24500	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	555.2239
Annotation	Physalin V
Peak:m/z	Relative Intensity
57.22105	0.8
67.12523	0.8
70.06583	1.8
72.08161	25.4
84.04510	7.2
84.08152	1.9
84.65701	0.8
97.07621	4.0
97.22850	0.8
98.06011	1.7
100.08745	0.9
108.04470	1.2
109.06253	1.0
110.06033	3.5
113.10754	0.9
114.09115	1.4
114.10294	43.5
115.08699	21.0
123.91562	0.7
136.03949	17.8
155.01552	0.8
156.11298	1.3
162.39194	0.8
163.03888	4.1
172.13249	0.8
172.69310	0.9
179.01648	7.0
193.06096	3.9
195.01103	4.4
197.02719	5.7
211.07130	3.8
220.04256	3.8
221.02652	11.3
267.11615	5.4
268.10007	17.8
277.41217	0.9
285.12598	1.0
291.11661	7.7
292.10016	22.4
294.16888	1.9
304.06384	3.9
310.12210	9.7
327.14838	18.8
334.12299	10.9
437.14838	1.7
480.19107	1.2
537.21289	34.8
555.22229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.209
Annotation	(-)-Massoniresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.86686	0.9
70.02939	1.3
70.06590	7.6
72.08162	49.4
77.79330	0.8
84.08157	1.5
84.74738	0.9
85.02917	1.8
89.10809	10.1
92.17736	1.9
98.06055	3.6
108.40018	0.9
110.44416	0.9
114.09148	0.9
115.08704	2.0
116.99506	1.0
127.03892	1.2
129.10281	1.0
150.09166	1.9
157.63521	1.0
158.06018	5.7
167.09326	1.0
178.04980	4.1
207.28914	0.9
249.07816	7.2
250.08632	1.8
262.08621	69.4
264.06546	31.8
266.08209	1.9
274.08923	1.2
275.08130	1.0
276.06671	2.2
276.10071	2.0
277.09720	7.2
280.09781	7.9
289.09686	7.6
290.08057	10.5
291.11212	7.9
292.09631	4.2
293.09317	1.4
294.16876	1.7
299.08047	1.1
301.09741	1.6
302.08069	8.1
303.07742	3.5
307.10318	1.8
307.13217	3.8
316.10806	1.0
317.09241	28.5
318.07700	1.2
319.10770	39.1
320.09021	9.7
321.08807	8.9
334.11908	1.6
335.10245	39.0
335.14310	1.3
336.08752	3.7
337.11615	1.3
345.08640	4.2
361.11597	2.1
363.09732	52.3
371.13907	1.9
379.12576	1.5
380.12408	4.3
381.10825	56.8
388.16711	1.8
389.14990	3.8
406.17603	10.2
406.50671	1.0
423.11835	2.1
433.18976	1.7
434.17279	1.3
451.19821	17.8
469.20767	4.4
493.20798	42.2
494.19418	1.5
511.21884	100.0
537.20013	4.2
555.20630	38.2
555.28412	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	554.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74700	1.3
53.03953	2.4
54.63765	1.0
55.01888	1.8
55.05515	5.8
57.03435	8.2
67.05515	14.1
69.03435	9.1
69.07064	8.9
69.07391	1.2
71.04987	7.6
73.02937	1.6
76.96708	1.2
79.05496	6.0
81.03427	9.5
81.07072	32.8
82.45459	1.2
83.04983	1.5
83.08627	7.8
85.02915	34.6
85.06558	6.2
87.00840	14.3
91.05525	10.8
92.18525	1.7
93.07056	9.8
95.08620	59.9
97.02889	12.5
97.06549	4.7
97.10162	5.5
99.04453	5.6
102.79771	1.7
103.03938	1.4
105.01886	15.7
105.07043	14.5
107.08585	11.6
109.02884	15.3
109.06554	3.2
109.10153	6.6
110.08607	1.1
111.08060	5.9
113.89003	1.5
119.08588	28.1
121.10183	14.0
123.08047	7.4
123.11768	1.4
127.03921	30.6
127.07573	2.3
133.10159	18.7
135.11697	19.3
137.09633	2.7
137.13269	19.6
141.09113	1.9
145.04968	6.8
151.14813	2.4
159.02901	5.8
159.06509	1.6
160.41241	1.4
161.13271	79.5
163.03889	3.0
179.14314	58.0
183.06538	5.5
197.15422	13.5
201.07600	2.1
213.03918	2.7
217.19502	2.3
231.04977	12.3
249.06084	2.0
253.18156	2.8
253.21593	3.2
271.19073	100.0
271.22580	8.7
289.20200	5.0
289.23807	2.1
305.08853	8.1
323.09814	10.4
334.53601	1.2
399.22214	1.5
420.35449	1.4
475.12833	1.5
500.40002	1.4
501.23233	2.3
519.24719	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	554.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16333	0.4
53.03959	0.4
54.29568	0.3
55.01871	0.4
57.03424	1.8
61.02933	3.7
69.03430	7.6
69.26447	0.4
70.06563	0.5
71.04991	0.8
72.35906	0.3
73.02902	0.8
78.41319	0.3
79.05533	0.4
81.03413	2.4
85.02908	44.9
87.04478	0.8
91.03939	2.5
91.55644	0.4
97.02892	14.6
98.06054	0.6
99.04468	3.1
100.31351	0.4
103.05489	0.9
105.07053	2.9
107.04955	15.8
107.08611	0.4
109.02888	4.4
120.61601	0.4
122.09630	0.9
127.03915	11.0
131.04942	0.8
135.08049	7.7
144.06560	1.6
145.04967	10.4
145.07608	0.8
149.05986	0.4
154.06265	0.7
162.07596	1.6
163.06053	2.9
163.07523	32.8
167.07030	67.9
180.07799	0.7
181.08521	1.9
195.08356	0.8
195.10168	29.1
213.11217	100.0
297.82468	0.5
321.13272	0.7
325.11380	0.6
463.23718	0.4
554.24359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90402	0.7
66.75499	0.8
68.14324	0.8
71.28903	0.9
78.29686	0.8
83.91331	1.0
85.02908	2.0
89.75791	0.9
91.70266	0.9
109.06567	0.9
115.61505	0.8
129.07019	1.5
129.97104	0.9
131.04948	9.7
137.05991	100.0
146.39366	1.0
149.05957	1.6
151.03897	18.0
155.04968	4.0
157.06512	5.4
161.05968	1.2
163.07555	24.2
177.05508	1.1
183.04451	7.6
187.07547	9.0
189.05508	7.3
189.08958	1.1
191.07088	1.5
200.04634	6.6
200.84892	0.9
203.42126	1.0
205.08473	1.0
207.06531	32.2
209.08075	4.7
215.04968	1.9
215.07043	56.1
233.08084	37.2
257.06033	3.8
261.09204	6.0
265.08691	1.3
266.09549	1.1
278.09488	1.3
289.08505	12.6
290.09256	1.2
297.11292	5.2
306.09000	3.9
307.09744	1.0
321.11142	19.2
331.15814	1.1
339.12280	73.5
357.13321	16.8
375.14365	17.2
391.79968	0.9
471.20795	1.1
522.48010	0.9
528.57849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79420	0.6
53.84274	0.6
54.34210	0.6
69.03461	0.6
70.86304	0.6
85.02905	3.5
93.34680	0.5
125.05984	0.8
137.05983	21.8
137.06967	1.0
143.04927	0.7
149.05995	4.2
153.05501	2.1
160.66507	0.7
161.05992	9.5
175.07553	3.6
179.07054	2.8
191.07010	3.5
203.07050	13.7
205.08650	3.2
221.06007	4.1
225.09140	3.6
233.08191	1.0
235.07613	1.0
249.09207	2.4
253.08591	23.8
265.08719	1.3
267.10196	6.7
277.08591	7.2
279.10187	0.7
280.07120	0.8
285.11221	99.1
294.08929	1.3
295.09650	8.6
297.11310	7.8
299.12817	0.8
309.11252	14.5
327.12280	71.9
327.47650	0.6
339.12018	0.7
343.38245	0.6
345.13330	100.0
357.13315	6.5
361.72974	0.7
375.14359	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49432	1.6
58.12744	2.0
66.92479	2.2
70.06586	5.1
72.08159	3.1
72.58784	2.0
81.83844	2.1
85.02915	11.7
107.05012	2.2
120.69231	2.2
121.06501	3.0
123.04433	4.6
127.03928	3.0
129.95122	2.0
131.04945	45.5
133.06491	2.8
134.16016	2.0
134.34035	2.0
137.05959	4.5
140.04712	2.4
145.06538	4.8
147.04456	2.4
149.06015	4.6
155.07039	20.1
161.05998	10.0
163.03880	12.5
167.07045	42.7
173.05991	69.2
175.07549	18.6
179.06999	5.2
180.08661	8.0
185.05949	2.3
191.07057	8.7
193.08612	2.8
203.07056	12.1
209.08156	10.7
221.05916	2.8
223.05913	3.1
225.09128	8.9
235.07610	4.3
253.08467	22.4
265.08688	3.7
267.10162	15.4
277.08612	10.1
285.11215	58.7
295.09616	28.9
297.11237	4.8
309.11209	7.9
327.12247	100.0
339.12225	3.3
345.13297	99.4
357.13397	12.4
375.14429	32.0
420.18903	2.3
554.25848	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	554.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78345	1.8
59.87637	2.0
73.04762	56.1
91.05801	100.0
108.26778	2.4
114.07375	4.8
134.96260	2.4
167.05568	9.0
215.46864	2.3
223.06358	53.1
225.04311	93.2
227.02298	11.2
236.50023	2.2
268.97943	4.8
281.05173	3.9
283.03122	5.4
285.01016	81.3
285.91852	2.9
297.08160	4.8
299.06201	71.6
303.01953	3.0
355.07037	40.7
371.10126	87.2
445.12329	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
65.03946	0.9
68.99785	3.8
70.15356	0.6
72.08152	1.2
75.04476	3.5
79.05490	0.8
85.02905	2.6
87.45876	0.6
91.05471	7.3
93.03416	11.2
93.07043	4.1
95.04976	3.7
103.05505	4.6
105.07052	0.7
106.04177	15.2
107.04980	2.6
112.20850	0.7
117.03377	1.0
119.04954	3.4
121.02868	0.7
121.06517	24.1
123.08109	0.8
125.05986	9.6
131.04939	4.4
132.05719	2.8
133.06491	0.9
134.03636	3.6
135.04457	1.6
137.05992	2.6
139.07559	2.5
145.02878	1.4
147.04332	0.7
148.05234	1.5
149.05989	54.2
151.07544	2.7
153.05510	2.8
153.09114	13.9
160.05186	1.2
163.03922	10.4
163.07550	4.0
166.06248	0.8
167.07056	9.6
177.05473	28.0
177.06944	1.1
179.07083	1.0
180.04169	2.8
180.07838	2.7
181.05034	1.0
181.08592	18.9
182.09401	4.5
191.07002	10.1
192.07813	9.0
193.08551	0.7
195.06511	6.4
208.03719	0.9
209.08098	100.0
210.08923	1.5
223.04156	4.5
223.06053	29.0
237.73988	0.6
312.09073	0.8
447.94992	0.8
554.25604	0.8
574.27350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.17
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46305	0.4
53.22318	0.4
55.01889	0.6
55.05547	0.5
64.10111	0.4
65.03946	0.9
67.05520	0.5
68.99789	2.8
70.06583	2.6
72.08139	2.4
75.04498	2.5
79.05502	0.9
85.02909	3.1
89.06088	0.7
91.05489	8.6
93.03412	11.8
93.07048	4.9
95.04977	2.6
97.06554	0.6
103.05479	3.8
105.07040	0.7
106.04182	14.3
107.04968	3.3
112.11368	0.5
117.03397	0.6
119.04953	1.1
121.02873	0.6
121.06505	21.8
121.54423	0.5
122.60746	0.6
123.04436	2.0
123.08096	0.6
125.05987	10.1
131.04938	4.1
132.05748	0.9
133.06450	0.8
134.03659	3.2
135.04439	3.5
137.05972	0.9
139.07550	2.8
145.02815	1.9
147.04411	0.8
148.05193	2.2
149.05991	53.2
151.07550	3.5
153.05502	2.6
153.09109	13.7
154.06352	1.0
160.05197	2.3
163.03900	11.2
163.07552	2.8
166.06332	0.6
167.07025	10.7
177.05481	26.1
177.09074	3.7
178.09465	1.2
179.07028	2.3
180.04167	3.1
180.07884	2.7
181.08595	20.9
182.09395	3.9
191.07104	7.2
192.07835	7.2
193.08699	1.2
194.09000	0.9
195.06540	7.3
209.08096	100.0
210.09032	0.8
220.09631	2.2
223.04202	3.8
223.06055	32.3
403.14056	0.5
554.26276	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	554.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.37193	0.4
65.03937	2.1
67.05482	0.6
68.99780	2.4
70.06591	3.6
72.08175	3.5
75.04485	3.4
78.04690	0.7
79.05481	1.8
84.08145	2.2
85.02902	3.0
89.06013	1.9
91.05495	7.3
92.18386	0.6
93.03410	11.8
93.07024	4.1
95.04952	3.0
97.06547	0.9
98.85722	0.5
103.05488	3.4
105.07048	0.5
106.04186	12.2
107.04970	3.5
112.11232	0.7
117.03355	0.8
118.04121	0.5
119.04912	2.5
121.02865	0.6
121.06504	22.5
123.04411	2.5
125.05984	9.2
131.04945	5.1
132.05673	1.0
133.06526	0.9
134.03635	2.8
135.04442	3.4
137.05972	2.2
139.07527	3.1
145.02840	3.2
147.04488	1.1
148.05235	1.9
149.05984	48.4
151.07542	2.3
153.05446	2.6
153.09099	12.3
154.06317	0.7
160.05211	1.0
163.03903	10.2
163.07547	2.9
165.05569	0.7
166.06229	1.0
167.07045	9.0
177.05472	27.8
179.07021	2.0
180.04216	3.1
180.07774	2.3
181.04962	0.7
181.08586	18.3
182.09474	3.5
183.06487	0.7
191.07031	9.2
192.07837	6.6
195.06541	6.7
208.03627	0.5
209.08092	100.0
210.08870	2.2
220.09633	0.6
223.04167	3.8
223.06058	26.9
317.01767	0.5
377.76227	0.5
415.13782	0.8
539.55792	0.5
554.26489	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	553.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64991	0.2
54.32759	0.2
55.05526	3.4
60.50218	0.2
69.07076	1.4
70.06593	1.0
71.07373	2.0
72.08146	0.4
84.08147	0.4
85.91152	0.2
86.09715	100.0
91.05480	0.6
113.10769	0.3
118.06574	3.0
120.08128	2.6
128.06741	0.2
130.03380	0.3
130.06450	0.3
136.07564	2.0
141.10251	1.7
146.06027	3.3
163.03903	0.4
164.07082	1.6
165.05502	1.0
174.12866	0.3
177.09283	0.4
182.08138	1.3
188.14351	2.1
228.10239	0.5
231.14870	0.3
233.16476	0.3
236.10687	0.5
243.15031	0.6
247.14491	0.4
259.14392	1.1
265.08646	0.4
270.11374	1.1
275.14056	1.5
287.13992	0.5
288.15665	0.3
321.14697	0.4
383.19797	0.6
414.97739	0.3
440.21744	1.3
468.21286	23.2
522.25964	4.4
525.31012	0.3
553.30353	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	553.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09871	0.1
55.05516	0.5
64.80084	0.1
67.05511	0.1
69.03451	0.2
70.06588	0.9
72.08157	0.2
72.76066	0.1
81.07068	1.6
82.07403	0.6
84.08161	0.3
85.02917	0.3
85.08936	2.9
86.09723	0.2
87.00859	0.2
95.08618	0.5
96.08945	0.2
97.02917	0.6
98.03223	0.2
100.11264	100.0
109.10120	0.2
110.66905	0.1
115.03924	0.5
115.28297	0.1
116.04284	0.3
119.08560	0.1
137.06004	0.1
137.13309	0.3
138.13615	0.2
177.05464	0.3
184.07365	0.8
185.07639	0.2
185.39487	0.1
190.31978	0.1
201.03909	0.1
212.16469	0.3
219.05054	0.6
220.05243	0.2
238.18091	0.3
360.16861	0.1
387.88730	0.1
395.19702	0.5
431.26440	1.9
469.02292	0.2
478.22314	0.1
553.30182	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
58.06598	0.2
64.82410	0.1
65.92673	0.1
69.07050	0.1
70.06594	1.0
74.60621	0.1
75.68511	0.1
81.07042	0.2
83.08600	0.1
84.08164	0.5
85.02888	0.2
85.08939	2.7
86.09700	0.3
97.06546	0.3
100.11263	100.0
102.96825	0.1
104.10760	0.6
105.07103	0.1
107.08589	0.3
109.10148	0.3
127.03979	0.2
133.10269	0.1
165.40778	0.1
184.07346	0.5
383.39169	0.1
395.19727	0.2
410.79263	0.1
431.26523	1.8
553.30237	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	553.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04887	0.6
60.05664	4.0
70.06604	2.9
72.08160	9.9
73.78471	0.7
86.07212	0.8
87.07996	4.4
97.07688	0.8
98.06071	0.7
100.08793	0.6
114.10294	14.0
115.08762	0.7
115.11153	0.7
123.04453	1.0
130.12166	2.5
131.12943	3.9
132.04469	3.4
138.88820	0.6
146.05988	6.7
154.72533	0.6
157.07648	0.9
158.06009	14.9
163.03955	1.5
173.07071	6.4
174.05522	1.0
175.08722	1.3
195.76790	0.7
201.06635	1.0
202.03381	0.6
202.04984	5.0
211.07246	3.3
215.08218	1.4
219.07620	1.1
224.53383	0.6
242.04617	1.1
250.08690	0.7
257.83862	0.6
266.08276	3.4
272.07266	0.7
288.05151	1.4
290.08066	5.3
291.89331	0.6
292.06107	8.9
292.09357	1.0
293.09470	4.3
294.07663	6.6
300.06656	2.4
302.08179	2.4
307.10730	0.6
317.09192	3.6
318.07608	43.6
319.10831	1.2
335.10220	10.0
339.09766	3.3
345.08905	1.3
346.07166	4.0
363.09897	4.2
381.10864	7.0
544.22430	0.7
553.24091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22574	0.7
51.88367	0.7
51.96533	0.7
54.02129	0.8
54.85841	0.9
55.01871	4.8
56.38353	0.8
58.64838	1.0
65.03928	1.0
68.01598	0.9
68.99784	4.5
70.06577	4.4
72.08137	4.7
81.03432	1.4
82.82937	1.0
84.08117	1.5
85.02911	2.4
95.04951	1.4
97.02881	5.8
111.04427	1.2
114.10313	1.9
119.04932	1.7
121.02861	100.0
127.03902	1.4
129.10266	1.1
139.03906	6.0
151.26810	1.0
153.01811	2.2
155.10742	4.0
163.03888	27.3
163.14732	1.1
165.01837	6.2
173.05965	1.5
175.03922	2.5
175.14748	1.2
177.01797	2.2
183.02863	2.3
187.03882	2.4
189.01796	1.5
189.05544	1.7
191.03302	1.0
193.15898	1.1
195.02901	4.5
201.05507	1.4
203.03360	2.4
205.04916	7.7
207.02861	5.9
211.17004	1.1
215.03517	1.8
217.04974	8.8
219.02856	11.3
219.06520	1.5
222.11171	1.1
225.03979	2.0
229.04915	8.0
229.17928	4.7
230.44818	1.0
231.02843	15.8
233.04424	3.7
235.06026	6.2
241.04884	1.1
243.02866	10.2
243.06596	1.5
247.06091	4.3
249.03905	13.8
253.07082	1.3
255.02966	3.9
259.05905	2.4
261.03906	24.4
269.04321	1.7
271.06039	5.7
273.04001	8.9
273.61728	1.0
277.03427	1.0
279.04941	5.2
281.04501	1.4
285.03943	6.1
289.07025	1.7
290.08160	1.1
291.04895	8.7
295.06015	2.0
297.03931	2.3
299.05536	1.5
301.07135	4.3
307.05978	2.1
309.06326	1.3
313.06909	1.5
315.04858	14.7
318.07639	6.8
319.08127	4.4
321.08160	1.0
327.05096	1.9
331.07666	1.2
333.06110	1.7
337.06912	2.1
345.06015	9.6
349.07089	4.7
361.06912	1.8
363.06729	9.1
379.08237	7.1
381.08060	17.2
391.08249	4.2
397.09143	5.0
399.08737	1.0
403.10208	1.9
409.08990	3.8
421.09424	1.2
427.10199	9.5
433.09109	3.5
445.11169	6.6
451.10062	3.7
463.10406	4.4
469.11136	12.2
481.11292	16.2
499.12512	20.2
517.13477	31.5
535.14502	4.0
553.23639	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	553.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15869	0.5
52.82522	0.6
52.84101	0.6
63.52317	0.6
69.33932	0.6
75.03553	0.7
80.44014	0.6
90.91007	0.6
94.93015	1.0
98.09582	0.6
98.15594	0.7
103.46632	0.6
112.89593	5.0
113.20734	0.7
114.53432	0.6
164.93510	0.9
168.92151	3.4
186.93134	1.2
210.79346	0.8
210.94099	100.0
228.60442	0.7
228.94240	16.9
228.96472	0.8
235.06769	0.7
246.95317	4.7
270.95294	4.2
281.78726	0.7
330.97482	1.0
381.08011	7.6
395.56247	0.8
409.07037	0.7
493.03015	1.2
553.04626	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	552.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80991	2.1
51.40242	2.2
60.08164	5.0
64.65791	2.0
65.09707	2.2
86.09694	24.7
92.18391	3.2
104.10757	37.2
124.99997	11.9
137.09467	2.1
170.09711	9.5
184.07353	100.0
186.61430	2.2
189.66122	2.7
200.99939	2.2
222.27853	2.1
259.90836	2.7
537.40588	2.8
552.33282	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23008	0.7
57.76130	0.9
60.08166	6.3
60.08434	0.8
62.03963	0.9
86.09711	25.2
89.32726	0.8
93.07027	0.9
95.60644	0.9
96.27962	0.9
104.10747	8.4
124.07674	0.9
125.00006	10.5
182.31827	1.0
184.07356	100.0
347.05093	1.0
452.24246	1.6
492.25940	2.2
534.31793	1.1
552.33838	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
58.06606	0.3
60.08175	9.2
61.08495	0.5
67.05516	0.3
69.03410	1.2
69.07052	0.5
69.31080	0.2
70.06606	0.3
71.07372	0.7
72.08152	0.4
76.09335	0.2
79.05475	0.5
80.62397	0.2
80.87694	0.3
81.07068	11.6
81.65295	0.2
84.08132	1.0
85.02895	1.5
86.09711	22.3
87.00814	1.0
87.43918	0.3
91.05447	0.3
95.04987	0.4
95.08606	2.3
97.02894	2.8
97.06512	1.1
104.10754	3.6
105.01810	0.4
107.08571	0.3
107.81815	0.3
109.10162	0.4
110.06052	0.3
114.09182	0.5
115.03917	3.0
121.10119	0.3
124.99145	0.5
125.00008	10.5
127.03978	0.2
136.47096	0.3
137.05969	1.6
137.13266	2.8
161.09508	0.4
162.09985	0.3
163.03882	1.2
173.09547	0.3
174.10020	0.3
177.05365	0.3
184.07346	100.0
201.03955	1.2
219.04968	3.4
227.14301	0.3
232.33156	0.3
251.09187	0.3
259.08078	0.3
269.15366	4.0
287.16327	0.6
379.22601	0.3
508.21478	0.3
515.09113	0.3
534.28235	1.1
544.48926	0.4
551.75867	0.4
552.29199	27.0
552.35699	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	552.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00372	0.5
58.71298	0.5
65.11155	0.4
68.21312	0.5
69.03429	0.9
70.06583	0.8
72.04552	0.5
72.08159	1.2
84.08149	2.2
85.02914	5.5
86.09705	3.0
87.50933	0.6
90.41644	0.5
94.62668	0.5
97.02895	0.7
100.07025	0.9
100.07629	17.0
100.11263	1.1
112.11252	3.2
112.55364	0.6
114.09144	0.5
117.03381	0.7
126.35966	0.5
127.03915	2.7
129.10231	4.2
135.04442	3.6
143.11804	14.4
145.02856	7.2
145.04927	1.0
154.12276	0.5
157.13396	0.8
163.03903	100.0
169.17010	0.6
193.05037	0.8
210.19658	15.0
211.18069	0.8
220.09688	11.9
228.20688	9.5
289.29166	0.5
319.16547	2.1
329.03842	0.6
375.86877	0.6
390.23907	4.0
451.23804	0.8
552.29181	70.8
578.14496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17694	0.6
55.01868	4.4
57.03435	1.6
57.07063	1.2
67.05511	1.5
69.03427	5.7
69.07074	2.8
79.05489	6.0
81.03416	0.6
81.07062	100.0
85.02914	9.2
85.97379	0.7
86.09721	2.9
87.00821	8.6
87.04488	1.6
90.69449	0.7
95.08610	15.7
96.94216	0.7
97.02891	24.4
105.01856	7.1
107.07111	0.7
115.03928	26.4
125.00002	0.9
137.13264	25.6
145.04967	1.0
147.14685	0.6
153.96349	0.7
154.15933	1.6
163.03786	1.0
170.09659	1.6
184.07343	12.8
186.13141	0.7
201.03947	11.9
219.02812	1.2
219.04991	32.1
223.06082	1.3
252.01913	0.7
259.08167	1.4
270.94012	0.7
296.42044	0.7
402.93915	0.7
418.85577	0.7
552.28864	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	552.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13129	0.6
60.08159	5.3
86.09219	1.0
86.09708	18.9
95.08661	0.7
104.10735	6.8
108.79662	1.0
125.00029	9.3
137.05942	1.0
167.07028	4.3
170.07272	0.9
171.30609	0.8
184.07352	93.9
186.06726	1.5
195.95763	0.9
201.09123	5.3
205.08525	1.3
229.08638	8.5
231.08049	1.6
235.11166	1.1
245.09637	1.9
248.08353	3.9
259.07568	1.7
261.09183	1.8
262.09763	1.9
263.10739	7.4
275.07224	1.1
276.07813	4.0
277.08704	1.1
290.09402	5.3
291.10080	9.0
293.08133	1.8
304.07199	1.4
305.08008	1.4
305.11349	1.1
307.09659	5.5
308.10590	7.0
319.09674	4.6
321.07709	4.6
322.08670	1.1
322.12134	3.9
323.12778	3.5
325.10599	1.2
330.11029	1.1
336.10025	5.4
337.10709	7.1
350.11447	4.4
351.12195	4.4
352.12933	1.1
353.10233	11.5
368.12555	21.1
383.14886	100.0
443.17023	46.7
534.32355	1.3
552.33209	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	552.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46276	0.7
54.42145	0.7
70.15625	0.8
70.32204	0.8
71.41029	1.0
73.80308	1.0
78.60178	0.9
107.04953	1.1
125.70560	1.0
156.54724	1.0
167.07027	4.9
184.07338	1.2
186.06740	1.8
187.07655	1.2
200.08293	1.2
201.09102	4.9
205.08589	1.6
213.67067	0.9
217.08614	1.1
229.08556	10.4
231.08057	1.7
231.10210	4.1
232.08855	1.5
235.11313	1.1
245.09651	1.5
247.07510	1.1
247.09679	1.6
248.08347	6.1
249.08980	1.3
259.07504	2.0
261.09067	1.7
262.09918	3.5
263.08026	0.8
263.10519	7.8
275.07111	1.1
276.07913	5.6
290.09308	5.3
291.10162	13.0
293.08157	4.4
305.11691	1.8
307.09677	4.5
308.10342	7.7
315.08630	6.4
318.09143	1.7
319.09744	4.9
321.07526	3.5
321.13687	1.9
322.12070	3.9
323.12781	4.8
327.24780	1.2
330.10938	3.6
335.09210	1.3
336.09857	5.0
337.10703	9.6
350.11566	5.7
351.12225	7.9
352.13086	1.4
353.10220	13.9
368.12540	26.3
383.14893	100.0
443.17020	56.0
552.28076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14825	0.2
53.03948	0.4
55.01883	1.7
55.05507	0.2
56.50328	0.2
57.03444	1.6
60.04518	0.3
61.02933	3.8
69.03102	0.4
69.03436	6.7
70.06200	0.2
70.06581	0.5
71.04997	0.6
72.08154	0.9
73.02917	1.4
73.08253	0.2
79.05500	1.2
81.03431	2.9
83.08592	0.2
84.04512	0.5
84.08162	0.5
85.02910	44.4
87.04471	1.8
91.03961	2.5
91.05481	1.3
97.02895	14.2
98.06049	1.2
99.04456	3.3
102.59837	0.2
103.03944	0.3
103.05489	1.3
105.03404	0.4
105.07037	23.0
107.04944	0.4
107.13218	0.2
109.02888	4.2
109.06503	0.4
114.10309	0.5
115.03906	0.3
115.05474	3.1
117.68203	0.2
118.04176	0.5
119.04926	2.5
121.06508	0.4
124.35251	0.2
125.92737	0.3
126.05465	0.9
127.03920	11.2
131.04927	0.3
131.12817	0.2
133.06496	38.2
136.03899	0.3
136.06218	1.3
143.04907	1.1
143.06061	3.0
144.06535	2.3
145.04959	11.5
147.04413	1.2
149.05954	1.9
151.07576	2.3
161.05975	100.0
162.07626	0.9
163.06039	3.3
165.05374	0.3
167.07031	1.5
177.05426	0.3
179.07031	1.2
180.08794	0.3
181.08568	0.5
193.08607	83.2
196.07277	0.5
211.09647	6.2
219.10144	0.6
236.03749	0.3
237.03395	0.3
324.12851	1.2
325.10849	0.3
342.13602	0.3
372.16418	0.3
552.22461	3.9
557.77594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56055	0.4
55.81647	0.4
61.02921	1.0
69.03426	2.5
72.08156	0.8
73.02928	0.5
79.05588	0.4
81.03423	0.6
85.02917	12.2
91.05474	0.8
93.07037	1.9
97.02905	4.4
97.18759	0.4
99.04444	0.7
107.04964	17.7
107.08611	7.6
109.02872	2.5
119.08617	0.5
121.06521	0.7
127.03938	4.2
133.06520	0.7
133.10149	5.8
135.11694	18.8
141.01813	2.1
142.26234	0.5
145.05013	0.9
149.05971	0.8
151.03902	2.9
151.11125	0.8
152.04260	1.0
161.09618	6.9
179.10674	38.8
189.03839	0.5
197.11742	100.0
215.07033	0.7
234.74350	0.5
237.06238	0.5
256.28641	0.4
318.32104	0.5
359.16992	26.2
477.40836	0.5
550.96259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2242
Annotation	Asperlicin B
Peak:m/z	Relative Intensity
59.69584	0.3
60.05656	3.5
62.65051	0.4
70.06590	0.6
72.08159	18.5
84.04489	0.5
87.07996	0.3
89.10807	2.8
97.07651	3.9
100.08739	0.8
108.04489	2.8
110.06086	0.5
114.10291	23.0
114.11102	0.8
115.08682	0.6
119.08389	0.4
131.12927	5.0
136.03940	18.5
140.01691	3.1
147.04460	0.5
151.79205	0.4
154.04999	0.4
165.06676	0.5
168.01163	0.9
169.04283	0.5
170.02710	1.5
172.13216	0.7
178.05026	2.8
179.05795	2.2
183.07654	0.5
193.06157	2.5
194.02719	0.7
195.02248	0.5
210.02220	2.8
211.05318	1.3
211.07190	5.0
212.03770	4.3
215.04839	0.8
222.02196	0.7
232.12192	0.4
236.03766	26.4
237.03291	16.1
237.05603	0.7
243.04240	2.7
249.07007	0.5
249.14771	0.8
252.56532	0.4
265.10068	3.3
275.12787	1.6
276.03235	0.4
276.13455	0.7
278.04898	1.8
282.12814	1.2
283.11206	1.5
290.16080	0.4
291.08005	0.5
292.15329	1.8
307.12329	1.9
308.10611	4.6
308.17148	0.6
309.17911	4.3
310.18359	0.4
324.14877	1.9
325.13397	3.1
329.06061	1.6
341.15247	0.9
342.15955	13.2
422.10251	0.7
552.22394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13527	0.6
55.01868	0.8
62.95499	0.8
69.03415	1.1
70.06600	0.7
72.08163	1.4
80.14906	0.6
85.02902	5.3
97.02882	1.4
125.05981	0.7
127.03887	1.2
137.05988	16.5
143.04890	1.6
145.01555	0.7
145.04890	0.9
147.04451	0.9
149.06010	1.5
150.06741	1.7
151.03745	0.8
173.05931	1.2
175.03954	1.1
175.07527	4.7
187.03925	3.7
201.05469	20.6
203.07048	1.6
205.06520	3.6
219.08090	1.0
233.05963	11.8
237.09088	12.0
239.06958	1.4
247.07518	3.8
250.06308	3.8
261.05380	1.4
264.07834	3.8
265.08582	38.1
266.09442	1.8
278.05789	4.0
279.10223	3.7
282.08688	1.7
283.09509	1.2
292.07248	9.4
293.04782	1.2
293.08075	38.0
294.08942	1.6
297.11218	15.1
307.09628	50.8
310.08231	6.2
323.08893	0.9
325.10693	77.6
343.11755	100.0
355.11786	1.1
552.25317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2868
Annotation	(+)-N(6)-Acetoxyaphelandrine
Peak:m/z	Relative Intensity
51.48681	0.4
55.48140	0.4
59.08727	0.4
72.08147	0.7
74.90331	0.5
77.62563	0.4
82.78112	0.5
82.81635	0.5
84.08153	2.4
100.07623	15.7
107.08578	0.5
109.54884	0.4
120.23264	0.5
126.12799	64.0
127.03923	4.0
134.11891	0.5
137.06033	0.9
154.12338	0.6
169.13419	0.5
171.14925	2.1
194.06012	0.8
196.04034	0.8
211.06392	1.4
222.05504	1.8
223.06326	1.0
224.03459	4.8
224.21353	4.0
226.08643	2.7
235.02666	1.9
236.07040	0.6
239.05731	6.4
242.22339	2.9
250.05057	2.6
251.05768	4.1
252.02962	2.1
253.07434	0.9
254.08147	14.7
254.10634	0.5
264.06628	2.0
267.05231	12.1
282.07635	9.6
295.04819	2.3
310.07098	92.4
381.14041	0.8
551.28693	100.0
565.31940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58273	0.8
60.04549	0.9
61.12233	0.8
66.58852	1.0
69.03446	1.5
70.06598	4.3
70.82933	0.8
72.08164	5.3
79.05451	0.9
84.04501	1.8
84.05637	1.3
84.08146	7.7
85.02908	6.0
86.09717	1.3
87.05591	1.9
91.26186	1.0
101.07153	1.7
111.88145	1.1
113.10751	1.4
114.09167	4.2
122.03684	1.1
129.10243	5.2
137.05992	100.0
138.09190	1.0
143.04977	1.1
149.06032	1.9
154.30048	1.0
156.11349	1.6
160.05238	1.4
161.06000	1.6
173.05934	1.2
173.14058	1.4
175.07556	2.2
177.05424	1.3
182.12813	1.6
183.11328	1.4
189.05508	1.3
201.05457	11.5
203.07053	2.3
205.06480	1.5
207.06554	8.7
219.06541	4.3
223.63916	1.1
226.15764	1.2
231.06601	1.2
233.06012	4.0
237.09122	3.8
262.06079	1.0
264.07983	1.2
265.08606	15.5
275.07141	1.3
275.16058	1.1
277.08676	1.4
278.05515	1.7
283.09668	5.1
292.07504	1.7
293.08035	16.4
297.11191	3.9
305.08133	1.5
307.09650	17.1
310.08380	1.4
311.09171	1.4
325.10669	23.1
326.43408	1.0
337.10788	4.2
343.11807	33.7
355.11786	21.1
373.12851	10.9
457.28397	1.1
552.34314	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	551.2859
Annotation	(+)-N(6)-Acetoxyaphelandrine
Peak:m/z	Relative Intensity
53.03949	4.1
55.05529	4.8
61.02919	3.1
61.63039	3.1
67.05492	15.1
69.03434	8.5
69.07063	4.8
72.08138	3.2
74.30861	3.1
81.03418	27.9
81.07068	36.2
83.08645	4.8
85.02910	24.2
87.00829	17.3
91.05475	6.3
92.18446	3.2
93.07045	20.7
95.04939	26.4
95.08606	74.0
97.02897	19.9
99.04431	7.8
99.54234	3.7
105.01857	8.0
105.07033	20.7
106.93785	3.6
107.08602	32.2
107.97776	3.6
109.02881	39.9
109.10169	39.5
119.08570	32.1
121.10119	30.4
123.11732	14.5
124.32845	3.4
126.79469	3.3
127.03925	45.5
129.01787	13.1
131.08578	6.6
133.10162	18.7
135.11697	19.5
145.10147	25.2
147.11668	26.3
149.13274	22.5
157.10115	6.0
159.02858	3.6
159.11693	25.5
161.13261	24.7
163.11156	4.8
163.14819	7.0
169.10162	6.2
171.11723	14.7
173.13277	19.5
175.14815	8.5
183.11673	4.5
185.13289	13.4
187.14896	17.9
189.12868	5.0
189.16391	5.5
197.13327	7.0
199.14830	6.2
201.16408	15.0
203.17903	6.8
207.13904	3.4
211.14821	5.0
213.03935	4.4
227.17920	6.5
229.15843	5.4
231.05054	7.1
241.19514	23.5
243.21123	23.6
255.21170	8.5
257.22757	15.1
259.20605	17.4
261.22144	13.2
267.21140	22.0
273.22354	5.1
285.22128	52.2
301.21643	5.2
303.23190	58.3
320.56238	3.8
372.74030	3.3
393.24286	4.1
411.25275	4.4
429.25934	4.6
431.54742	3.3
447.27594	4.4
515.26733	4.7
533.27380	19.5
551.28595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77106	0.3
58.04387	0.3
59.98829	0.5
59.99121	14.0
69.35836	0.3
72.04518	0.4
84.08117	0.4
84.99797	0.3
88.02223	53.9
92.18351	0.6
95.87499	0.4
97.55351	0.3
98.50866	0.3
100.07633	4.8
102.45277	0.4
107.75475	0.5
110.99287	0.4
116.05320	100.0
125.36343	0.4
126.12801	14.2
151.03917	8.7
151.05048	0.5
154.12349	0.6
171.15034	0.5
186.09097	0.4
203.31049	0.4
224.21330	1.5
225.19698	1.9
242.22261	22.2
246.52451	0.4
255.03896	0.4
292.62015	0.4
310.05643	3.5
347.11310	0.6
551.27209	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	551.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05808	0.3
58.06590	0.8
69.03439	0.3
70.06582	1.4
72.08123	0.7
78.60048	0.3
84.08118	0.5
97.06343	0.3
134.39020	0.4
144.08086	26.6
145.08867	0.7
149.09607	0.7
158.09644	1.4
160.07579	2.1
163.03888	0.7
170.09639	100.0
171.10419	24.4
171.11896	0.7
186.09148	8.9
187.09973	2.6
187.12265	0.5
201.13875	4.1
202.14641	16.1
209.15320	0.7
216.05737	0.3
218.14131	0.6
240.73349	0.3
305.66312	0.4
339.28387	0.4
403.94037	0.3
439.79929	0.4
507.27142	5.8
551.26056	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	551.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15857	0.3
58.06601	0.8
70.06580	1.5
71.71071	0.3
72.08134	1.9
84.08140	0.6
85.02910	0.8
102.14877	0.4
105.07043	0.6
114.10266	0.6
123.04430	0.4
127.03902	0.5
133.06483	0.4
142.55420	0.3
144.08089	27.4
145.08894	0.9
151.03960	0.6
158.09630	1.8
161.05925	0.5
163.03850	2.6
167.07024	0.6
170.09648	100.0
171.10425	24.6
182.41290	0.4
187.12241	0.4
191.07137	0.5
193.08746	0.4
201.13889	4.1
202.14659	15.8
269.37430	0.4
290.80106	0.4
293.41727	0.4
324.17941	0.6
382.90247	0.3
388.84903	0.4
436.44989	0.4
500.32895	0.4
507.26981	4.9
551.25983	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	551.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17648	0.3
51.24649	0.2
51.79408	0.2
58.78010	0.3
61.34957	0.3
67.05508	0.4
71.46374	0.3
84.04494	0.4
127.08649	2.8
128.07068	4.1
133.06464	0.5
141.05472	0.4
144.08051	3.4
149.05898	0.5
151.03909	100.0
161.06017	0.5
167.07036	34.0
170.09648	14.0
171.10449	3.5
173.09206	10.0
193.08606	2.9
201.13878	0.4
202.14636	2.7
211.09676	1.4
336.32889	0.3
361.12744	6.5
379.14047	2.8
443.36661	0.4
467.12906	0.4
470.37051	0.4
491.29199	0.4
526.32477	0.4
533.21155	1.9
551.22125	12.0
554.78564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61950	0.3
53.46811	0.3
55.08817	0.3
56.05012	0.2
57.49915	0.2
58.06599	1.4
61.97937	0.3
62.42628	0.3
65.03945	0.3
67.05496	0.3
68.73727	0.3
70.06577	1.4
72.08163	2.6
76.07655	0.5
84.04507	1.6
84.08121	0.6
91.05444	0.3
96.08106	0.5
119.04942	0.4
119.62688	0.4
123.09196	0.4
124.07563	0.3
129.10237	0.7
137.06036	0.4
141.05469	1.2
141.10243	2.0
141.48409	0.3
142.08650	8.1
143.11809	2.0
147.04419	1.5
149.05983	0.4
151.03918	100.0
151.04947	4.0
153.84712	0.3
159.11331	0.5
160.07590	0.3
163.03946	0.5
167.08165	0.4
169.09726	0.6
171.11400	0.4
186.09166	0.7
187.10786	13.9
211.07515	0.5
218.14180	0.6
251.06883	0.4
268.07224	0.6
279.06729	0.4
283.09659	2.4
299.09201	9.7
300.54767	0.3
311.09189	3.5
315.08585	0.7
329.10217	15.0
347.11313	2.3
388.85672	0.3
432.89185	0.4
485.18912	0.7
503.20291	7.9
515.20386	1.7
533.21338	4.4
551.28497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
59.50083	0.6
69.13121	0.7
79.05515	2.7
91.05498	1.2
94.85892	0.7
95.04972	0.9
103.05463	8.4
105.07040	47.7
107.04869	0.8
115.05444	8.2
118.04156	3.7
119.04950	1.7
131.04935	14.8
133.06499	67.2
137.05965	3.1
143.04950	1.4
143.05966	5.1
144.08086	6.8
147.04420	4.7
148.05176	5.0
161.05983	100.0
163.07532	13.7
165.21539	0.8
167.07033	0.9
170.09660	23.0
171.10388	5.7
172.10556	1.1
173.05992	1.1
176.04761	1.1
179.07079	1.6
191.07047	58.2
193.08624	42.3
202.14664	4.9
229.99106	0.7
265.08661	1.0
266.08826	0.8
272.41443	0.7
327.12747	1.1
363.88055	0.7
365.10114	0.7
374.79605	0.8
389.16449	0.9
438.55026	0.7
551.26239	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	550.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78774	0.4
54.42253	0.3
58.06607	3.8
58.54617	0.4
60.08175	50.9
67.05511	1.1
69.03436	0.5
69.07068	4.6
71.08629	0.9
72.08154	2.2
74.02446	1.8
83.46706	0.4
84.08152	8.5
86.09709	9.1
95.04959	4.4
96.10801	0.4
97.06534	9.7
97.21136	0.4
107.04957	1.9
110.06050	2.2
112.07600	1.7
113.10759	0.5
114.09182	8.1
124.07593	2.5
126.09152	0.6
130.08630	2.2
131.04926	7.6
132.10240	0.8
141.10239	3.3
152.14410	0.6
155.08133	1.0
161.09602	11.5
161.10860	0.6
167.08217	0.8
173.09636	9.8
177.05495	2.2
180.13853	6.4
197.16470	0.7
208.13365	1.7
219.05887	0.5
219.10170	6.2
223.14490	1.7
226.14417	2.6
236.12872	4.9
246.11320	1.8
247.09695	0.7
252.51205	0.4
264.12332	0.5
269.15033	1.0
273.12390	0.9
332.18661	0.7
391.25912	2.2
550.34906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20737	0.5
55.43521	0.5
57.64234	0.6
58.06600	4.2
60.08175	53.0
64.74490	0.6
67.05527	2.2
69.07053	5.5
71.08635	1.6
72.08160	1.8
74.02436	1.0
84.08144	8.4
85.02910	0.8
86.09715	8.1
95.04975	4.7
95.68841	0.7
97.06554	9.4
107.04967	1.3
109.10162	1.0
109.45642	0.6
110.06036	1.0
114.09178	10.4
114.12795	0.9
124.07616	2.9
130.08670	3.0
131.04927	6.8
132.10170	0.9
141.10245	3.0
145.30765	0.8
159.08189	0.7
161.09615	11.6
163.03972	0.9
164.58914	0.7
173.09631	12.1
177.05438	1.5
180.13786	5.4
189.05374	0.7
208.13310	1.0
219.10190	8.5
223.14456	1.3
226.14412	1.4
236.12856	4.5
246.11218	0.9
264.12402	1.1
273.12317	2.5
332.18311	0.9
391.26251	1.0
450.96823	0.7
550.34955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94607	1.5
58.16905	1.9
60.08145	4.7
65.49247	1.8
71.86900	2.0
74.67929	1.9
86.09705	24.3
86.82329	2.0
104.10760	7.8
123.49963	2.1
125.00011	8.0
131.74074	2.1
176.07948	2.0
184.07333	100.0
207.98123	2.1
256.22125	2.2
510.53461	2.6
550.31482	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91861	0.6
59.86032	0.7
67.05512	1.0
69.03436	1.3
70.06583	0.9
72.08160	1.5
78.46802	0.8
80.45598	0.7
81.03394	1.1
81.07051	1.5
84.05639	73.7
85.02894	3.5
87.04469	0.9
95.08591	1.4
97.02917	1.5
103.05457	1.0
105.07023	1.2
107.08584	1.1
109.06588	1.1
126.12780	0.9
127.03974	1.1
131.04948	11.0
137.05975	1.1
144.08060	1.0
148.25244	0.9
151.03900	6.2
152.04259	1.0
163.07567	6.0
170.09668	4.5
171.10114	1.3
208.14449	10.6
226.15486	11.9
268.16672	5.2
290.88409	1.0
298.17737	1.5
303.16812	1.0
328.18668	15.0
337.09314	0.9
352.18909	0.8
370.19696	7.9
388.20761	53.4
442.15689	0.9
514.20770	1.2
550.26111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52746	1.5
60.08178	8.8
67.78617	1.5
68.34418	1.7
68.57364	1.6
86.09711	41.7
104.10750	93.6
118.45448	2.0
125.00021	16.5
127.48087	1.8
184.07339	100.0
204.71259	1.7
232.78844	1.8
268.02573	1.8
550.31433	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77851	2.9
60.08150	6.5
61.74514	2.5
62.86926	2.7
62.87241	2.8
66.56591	3.0
67.05489	3.4
86.09704	37.6
87.10025	5.1
104.10752	39.9
105.07028	17.2
124.99983	16.5
133.06505	14.6
137.05978	100.0
161.05969	58.0
181.02579	5.0
184.07347	76.4
199.07503	13.9
231.08076	23.8
232.14909	3.5
248.08369	5.2
259.07480	25.5
260.08380	15.2
260.46939	3.7
263.10675	17.0
272.78531	3.6
276.07849	15.8
291.10123	86.1
292.10880	4.7
323.12778	89.9
351.12253	5.0
383.14777	6.0
473.19565	13.7
520.33728	6.8
550.30066	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	550.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93541	0.6
60.42952	0.5
72.93790	3.1
86.09723	1.0
91.05512	3.9
92.17923	0.6
120.08110	30.8
126.05507	0.8
149.00500	6.2
165.00020	4.1
165.97130	0.5
166.08705	1.0
166.97853	0.6
176.01585	71.8
177.03288	1.1
178.97815	0.6
180.99452	2.7
184.99094	0.5
189.99529	4.2
190.97916	3.4
192.01051	13.8
194.02707	0.9
200.13893	0.8
202.66678	0.4
206.02792	0.7
206.99689	0.8
208.00618	2.4
220.00549	10.5
222.02110	12.6
228.13460	0.5
232.02921	2.9
238.01616	36.9
261.03271	0.6
294.03040	0.7
321.06995	6.5
323.08655	1.8
339.07983	6.8
349.06119	0.7
367.07407	5.5
385.08463	100.0
506.99536	0.6
550.13544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40917	0.4
55.05537	0.5
55.90944	0.4
56.09608	0.4
58.06601	3.6
59.07372	0.8
60.08171	54.4
60.89830	0.5
69.07075	3.5
70.06571	0.8
70.41178	0.5
71.08613	1.1
72.08150	3.1
84.08150	3.0
85.02913	0.4
86.09714	20.7
95.04980	0.5
97.06528	9.2
99.43404	0.5
99.44011	0.5
103.38983	0.5
103.41674	0.4
107.04975	0.6
110.06046	1.9
112.07619	1.0
114.09161	9.3
124.07574	1.0
129.10266	0.5
131.11783	1.8
133.02823	0.7
135.04425	2.0
137.05980	5.9
138.09073	0.5
141.10228	1.2
143.04854	0.5
144.08067	2.1
145.02840	0.5
155.08234	1.0
157.09749	0.5
159.04379	5.4
161.09619	3.1
163.03905	0.8
163.07588	0.5
167.06982	2.9
167.08243	0.8
170.09657	9.6
171.10422	2.8
173.09616	3.1
173.16455	0.8
177.05463	0.9
180.13855	7.3
189.09050	3.9
201.09128	6.0
202.14676	1.0
208.13345	7.2
219.10161	5.4
223.14412	4.9
236.12781	3.0
263.06619	1.0
332.18277	0.8
391.25821	4.4
549.23926	12.4
549.36462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37944	0.4
53.34425	0.3
53.67867	0.4
54.07880	0.4
54.14912	0.4
58.06609	11.5
59.07393	9.3
59.52910	0.4
60.08174	20.8
68.61820	0.5
74.30033	0.5
84.08165	0.8
85.04039	0.5
86.09219	1.0
86.09711	19.9
91.05476	0.7
91.47661	0.5
94.93372	0.6
100.11259	2.3
103.05488	0.7
104.06258	1.0
105.07012	4.6
106.06545	1.1
113.10766	2.3
117.23052	0.4
119.07302	2.2
120.08111	2.7
121.71404	0.5
131.04912	9.7
132.08107	0.9
134.06010	10.0
135.06807	0.5
136.07631	1.1
141.10248	5.2
146.06030	0.6
148.07578	8.8
148.11218	3.2
160.07591	0.6
166.08583	0.5
167.21327	0.5
172.07616	0.7
173.09766	0.6
186.12834	0.7
188.14331	4.0
190.12254	8.5
200.10724	5.8
202.12265	9.7
207.14932	8.1
212.10739	1.2
214.12300	2.9
215.13094	0.9
216.13869	1.8
233.16310	0.7
287.21158	1.0
313.19046	0.6
321.19669	0.6
349.19241	2.1
390.59918	0.6
445.97849	0.5
490.27023	1.0
521.35168	4.4
549.34381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	2.5
62.06102	2.5
69.03435	2.4
69.07072	3.4
70.06591	1.3
71.08629	0.5
72.08144	1.5
84.08149	2.1
85.02913	0.7
85.08923	3.0
86.06068	5.1
86.09211	0.6
86.09711	13.7
91.05488	0.5
92.18404	0.5
93.07035	0.3
95.04964	0.5
95.08593	0.6
97.06539	4.8
98.59953	0.3
100.07628	0.4
105.07036	0.4
107.04971	0.4
109.10203	0.4
114.09199	2.8
114.12809	100.0
119.04887	0.5
123.04449	0.5
124.07566	0.4
126.05521	0.7
127.03917	0.5
130.12228	0.6
133.10161	0.4
136.73563	0.3
141.10217	0.5
147.04422	1.2
149.09622	0.6
155.08095	0.3
158.11766	19.1
159.11304	0.5
161.09587	0.5
167.90884	0.3
177.31401	0.3
178.35721	0.3
180.10248	2.0
180.13873	0.6
189.09116	3.7
206.11794	1.6
208.13416	0.6
233.05574	0.7
274.14517	0.5
280.75552	0.4
301.21591	1.2
302.13873	0.6
391.22983	0.5
438.46469	0.3
549.32867	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97525	0.4
65.18929	0.4
70.06580	2.5
72.04521	2.6
72.08167	4.4
75.64799	0.4
79.05502	0.8
81.07061	1.1
83.03877	0.4
84.08155	30.0
84.08669	1.0
92.18423	0.4
93.07057	0.5
107.08631	0.5
112.07610	0.6
114.09174	32.6
115.08669	0.9
121.10121	0.4
127.08691	2.0
129.01779	0.5
131.08574	0.5
143.11810	61.6
143.94991	0.5
148.11234	0.8
149.09622	0.8
157.09714	2.2
173.12843	2.5
186.08910	0.5
188.51138	0.5
194.49733	0.5
198.12350	0.6
239.15039	2.3
257.15909	0.6
261.19629	0.8
299.55789	0.6
341.18213	0.6
357.25018	1.0
359.19516	0.8
408.21533	0.6
423.26059	1.6
424.24359	0.5
441.27234	3.4
449.18689	0.9
459.28180	1.8
489.24628	1.9
531.26544	4.7
549.27704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28576	0.4
66.34518	0.5
70.06591	3.5
72.04516	2.5
72.05615	0.6
72.08139	4.3
74.64216	0.5
78.80167	0.6
79.05537	0.6
81.07070	0.6
84.08148	35.2
107.08585	0.5
107.46088	0.5
112.07626	2.3
113.10779	0.6
114.09172	35.8
115.08701	2.4
116.10342	0.5
121.49242	0.5
126.06651	0.9
127.08660	0.9
131.08562	0.7
139.08682	1.2
140.07088	3.8
141.05583	0.6
143.11801	60.2
145.02878	0.5
148.11198	0.8
149.09636	0.9
151.03906	55.0
151.04948	2.9
156.11313	0.7
157.09720	3.3
173.12782	1.3
173.14072	1.0
177.05464	2.4
185.09190	4.0
189.71819	0.5
239.14992	7.7
257.16125	2.0
258.14496	0.8
261.19470	0.7
283.09741	1.0
299.09180	4.1
303.21786	1.1
311.09225	2.1
321.22809	1.2
329.10226	10.1
341.18097	3.9
342.16702	0.9
347.11221	2.2
357.25211	0.8
359.19388	2.0
423.26041	1.3
431.17923	2.6
432.16409	0.7
441.27191	2.8
449.19061	2.5
482.70718	0.6
501.18674	1.1
531.19867	0.8
531.26880	4.8
549.27722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42189	0.4
60.15244	0.4
66.93579	0.5
70.06613	3.7
71.26179	0.5
72.04518	3.2
72.08151	4.3
79.63481	0.4
81.07066	0.9
84.08147	26.7
89.54853	0.6
93.07041	2.5
94.42434	0.5
98.09651	0.5
102.91669	0.4
105.07056	0.8
107.08555	0.6
112.07614	0.5
114.09169	30.2
121.10131	0.6
123.08082	0.6
125.10825	0.5
127.08674	1.8
129.01866	1.0
131.08543	0.8
131.11777	0.8
134.09702	0.5
141.09148	0.6
143.11804	36.6
148.11197	1.1
149.09639	2.3
157.01306	0.6
157.09776	0.9
157.13319	0.8
173.12871	0.9
193.13397	3.2
201.96503	0.5
202.15962	1.0
207.11662	0.4
238.17958	0.8
239.14998	0.5
245.16620	0.5
255.18225	0.5
261.19669	1.7
270.37921	0.5
297.21817	2.4
315.22955	2.1
375.26099	2.0
399.24939	2.1
417.26416	0.8
430.21692	0.5
441.27011	0.7
459.28137	6.1
489.25266	2.6
507.25870	1.0
531.26508	0.7
549.27679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56188	0.5
70.06592	5.0
70.43806	0.4
71.80527	0.4
72.04531	3.2
72.08167	5.2
79.69909	0.4
81.07038	0.6
84.05619	0.6
84.08154	36.0
84.08664	1.2
91.05503	0.6
92.18437	0.5
93.07049	0.7
107.08566	0.7
114.09177	35.9
115.08684	1.9
125.10745	1.1
126.06680	0.5
126.12765	0.9
127.08659	0.5
131.08589	0.7
143.11810	64.9
148.11211	1.8
149.09642	1.8
150.82840	0.4
156.11333	0.8
157.09727	2.1
166.12199	0.5
173.12843	1.9
173.14049	1.7
185.13918	0.5
186.09053	0.5
197.14063	0.5
199.10843	0.6
239.14973	6.5
257.16052	4.2
284.64407	0.5
292.00256	0.5
296.10657	0.5
297.22766	0.8
299.09378	0.7
303.21793	1.1
315.22589	0.5
321.22864	1.8
322.21332	0.5
327.16589	1.1
328.15146	0.8
334.32629	0.4
336.24228	0.5
339.24011	2.3
357.25015	1.9
373.12378	0.5
427.25723	1.9
429.43045	0.5
431.17639	4.3
432.15982	0.8
445.27112	0.6
449.18707	3.5
462.82083	0.5
513.25562	0.9
531.26733	3.0
549.27716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89843	0.4
56.67794	0.4
60.05667	0.5
60.10242	0.4
67.05543	0.4
70.06602	4.2
72.04514	2.1
72.08160	5.4
73.30634	0.4
76.45142	0.4
77.15063	0.4
79.05496	0.6
80.40819	0.3
81.07060	0.8
81.85147	0.6
84.08154	25.1
90.89717	0.4
91.05555	0.5
93.07047	0.9
94.14310	0.4
98.06061	0.5
99.92791	0.4
105.07018	0.6
107.08612	0.6
108.74789	0.4
112.07644	1.5
113.10784	1.0
113.85650	0.4
114.09171	32.5
115.08672	1.9
125.10767	0.7
127.08564	0.8
131.08559	2.4
131.11797	1.8
135.58195	0.4
141.09134	0.6
143.11804	50.2
146.06053	3.1
148.11183	0.8
149.09650	3.5
156.11339	1.0
157.09755	1.8
157.13324	0.5
158.36159	0.4
173.13989	2.2
188.07111	7.4
193.13409	2.6
202.15916	0.5
205.09746	4.1
215.13942	0.6
220.16861	0.6
235.63591	0.5
239.14958	4.9
257.16180	0.7
258.14569	0.8
261.19656	2.7
297.21829	0.6
315.22928	0.7
321.23035	0.8
322.21442	0.6
334.29364	0.5
339.24164	0.6
357.24860	0.8
375.25977	0.8
389.16522	0.5
389.56693	0.4
431.17944	1.6
436.26987	0.4
441.27304	0.8
445.26663	0.6
449.19034	1.6
459.27972	1.8
489.24637	1.0
507.25708	0.6
531.26709	3.1
540.53186	0.4
549.27679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.3
60.08171	0.4
61.49861	0.2
63.94611	0.2
65.03948	0.3
65.51791	0.2
65.83468	0.2
67.05527	0.2
70.06584	0.3
72.08157	0.4
72.75296	0.2
73.21700	0.2
74.09722	2.3
83.06091	0.4
84.04523	2.1
86.09714	0.4
91.05452	0.3
95.04958	0.2
108.02092	0.3
119.04946	1.0
129.06322	0.2
130.05025	0.4
135.04466	0.3
136.96532	0.2
139.12311	1.4
140.10710	1.1
141.05481	1.1
144.08086	0.3
147.04492	0.8
151.03918	100.0
151.04951	4.1
157.13362	5.5
159.11633	0.3
160.07558	0.3
161.05991	0.3
167.07057	0.9
179.07059	0.4
181.72270	0.2
185.12862	11.0
186.09109	0.8
186.11278	0.4
211.07590	0.4
223.39990	0.2
283.09753	0.5
299.09189	2.9
311.09271	1.8
317.14484	0.2
329.10205	7.7
347.11249	5.2
352.44708	0.3
501.22495	2.4
513.22522	0.5
531.23303	2.7
549.24548	3.5
549.35962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77237	0.2
55.97064	0.2
58.06598	0.5
61.48711	0.2
62.92306	0.2
70.06607	0.2
70.20975	0.2
73.71118	0.2
81.03458	0.2
113.22941	0.2
118.48121	0.2
118.80866	0.2
137.05931	1.0
144.08089	26.2
145.08864	1.4
150.18657	0.2
158.09616	1.3
165.27240	0.2
167.07050	0.4
170.09642	100.0
171.10420	34.2
180.45158	0.2
181.05121	0.2
187.12349	0.4
191.97861	0.2
201.13879	3.5
202.14648	54.3
203.60490	0.2
245.91743	0.2
300.64896	0.2
301.19098	22.8
336.06693	0.2
342.63919	0.2
377.04449	0.2
505.25446	8.6
549.24451	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26957	0.4
58.06584	0.9
61.20484	0.3
61.42576	0.3
72.07337	0.3
144.08089	25.2
145.08864	1.5
158.09615	0.7
170.09647	100.0
171.10425	36.1
171.12564	0.6
187.12350	0.6
201.13902	3.8
202.14656	54.6
301.19119	23.6
488.60114	0.4
505.25458	8.5
549.24463	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63980	0.3
51.32404	0.3
54.76606	0.4
58.57231	0.4
70.06561	0.7
72.08112	0.7
84.08132	0.5
90.47002	0.5
115.01154	0.5
137.05983	11.6
144.08089	27.2
145.08870	0.9
147.04414	0.6
155.36372	0.5
158.09683	1.7
167.07031	1.1
170.09637	100.0
171.10420	30.5
175.03879	0.8
181.04919	1.9
187.12338	0.5
201.13876	2.8
202.14658	23.9
205.04829	0.5
233.32184	0.4
258.80453	0.5
301.19125	4.6
505.25339	6.9
549.24786	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05066	0.3
56.16253	0.3
57.44403	0.3
58.06594	1.8
69.03439	0.3
70.06590	0.5
72.08150	0.5
76.07639	0.5
79.26566	0.3
84.04527	0.6
85.02937	0.3
96.08070	0.5
97.46764	0.3
114.12395	0.3
118.91440	0.3
123.09203	0.5
124.07597	0.5
137.06018	1.3
141.05499	0.8
141.10246	1.6
142.08640	7.5
144.08179	0.3
151.03917	100.0
159.11328	0.6
165.05527	2.7
167.07024	2.0
169.09724	0.6
170.08197	0.7
170.09644	1.6
187.10789	11.8
195.06557	4.5
202.14647	0.5
205.04941	0.4
269.97485	0.3
338.75372	0.4
345.09735	14.8
351.15067	0.3
402.15491	0.4
466.06363	0.4
531.19916	4.5
549.20374	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	549.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26885	0.2
58.40285	0.2
59.94817	0.3
66.36546	0.2
70.06577	0.5
70.86206	0.2
72.08152	1.3
78.31724	0.2
84.08136	0.5
91.05489	0.3
98.07138	0.2
105.98260	0.2
118.06544	2.2
132.08084	2.0
136.79475	0.2
140.77875	0.3
144.04425	0.3
144.08087	5.9
146.06015	37.6
159.09155	4.8
163.03952	0.4
170.06007	2.0
188.07072	100.0
205.09734	38.6
426.28241	0.2
549.24622	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	549.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26690	0.2
57.03405	0.2
58.70594	0.3
67.05518	0.4
70.06580	0.6
72.08159	1.0
74.06049	0.3
84.08149	4.1
85.02888	0.3
95.04952	0.3
103.44339	0.2
112.07598	1.6
114.09200	3.9
119.04894	0.5
131.11830	0.3
137.05995	0.4
139.08644	2.6
140.07080	8.7
141.05476	1.1
143.11806	6.5
147.04381	1.5
149.05980	0.5
149.45711	0.3
151.03915	100.0
151.04973	4.9
157.09749	1.1
173.14116	0.3
177.05496	0.6
179.07024	0.6
180.73938	0.3
185.09212	8.8
187.10614	0.3
211.07634	1.0
226.51472	0.3
239.15199	0.4
240.07907	0.5
251.07146	0.5
257.13821	0.4
268.07285	0.5
271.09839	0.3
278.79465	0.3
279.06461	0.4
283.09644	2.6
299.09158	7.8
311.09106	4.0
315.08609	1.0
329.10199	20.8
347.11206	4.0
358.63824	0.3
441.27609	0.4
501.18707	3.3
527.37653	0.3
531.19635	1.7
549.20721	0.5
549.27698	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	549.1585
Annotation	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
Peak:m/z	Relative Intensity
54.98866	0.4
72.08144	0.6
72.41615	0.4
84.08147	2.1
88.87354	0.4
89.78550	0.4
97.34533	0.4
114.09169	1.9
120.18344	0.4
137.05963	0.6
143.11795	3.2
153.10252	0.4
161.67706	0.4
175.03670	2.8
187.40157	0.5
286.95941	0.5
315.16693	0.4
351.10559	1.7
365.12253	0.7
387.10455	4.9
430.57523	0.5
464.28232	0.5
549.15753	100.0
549.27344	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	549.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23261	1.3
58.94378	1.4
69.03441	1.6
72.08139	1.9
77.86035	1.3
84.08138	2.8
85.02927	2.5
92.18355	2.4
99.50570	1.3
100.25923	1.4
109.02764	2.1
114.09175	2.0
137.05957	2.1
143.11749	2.8
147.04427	2.3
175.31149	1.5
182.74858	1.5
205.04985	1.9
211.05042	1.4
219.08017	3.4
221.09665	2.4
233.05814	1.5
233.09676	2.4
235.07555	6.0
236.08427	2.4
237.09047	1.7
247.07500	12.8
248.08374	8.1
249.09111	9.1
251.10513	1.7
261.09045	3.0
263.07034	8.2
263.10544	2.9
264.07791	12.8
265.08502	2.4
276.07959	5.1
277.08591	13.9
279.07220	2.2
279.10193	16.3
281.11774	1.9
289.08728	3.1
290.09290	1.9
291.06693	2.8
291.10196	6.1
292.07190	2.5
293.08130	6.7
293.11719	1.4
295.09720	3.0
305.08167	2.5
306.08926	2.0
307.09616	25.8
309.11227	2.7
311.09384	4.5
319.09491	1.7
323.09235	9.6
324.09967	3.3
337.10913	1.6
338.11307	2.8
339.12479	2.9
351.12277	2.5
357.13260	11.7
369.13345	30.0
387.14401	100.0
481.15195	6.5
499.16101	7.9
517.17169	16.0
531.19336	1.8
549.19202	10.3
549.27441	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	548.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12833	0.6
55.05526	0.9
57.03440	1.1
58.06612	8.3
59.07395	1.4
60.08160	3.9
61.94947	0.8
72.08167	1.4
73.01713	0.7
75.68899	0.6
78.56608	0.6
81.07058	1.0
82.90054	0.7
85.02939	1.3
87.04459	1.3
88.84418	0.7
90.76283	0.7
91.05485	0.7
92.17788	0.9
109.10201	0.8
113.05997	0.9
121.10177	0.9
121.83379	0.7
144.10228	7.2
162.11253	3.9
167.06940	1.0
197.31697	0.7
236.14934	100.0
390.25082	7.8
430.27911	5.4
494.34479	1.5
512.35999	9.6
530.36920	15.5
548.29791	1.1
548.38013	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1249
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
54.69625	0.1
54.80006	0.1
55.05499	0.1
56.62790	0.1
66.56934	0.1
69.03388	0.2
69.07075	0.1
70.06568	0.1
72.08120	0.3
81.07034	0.1
85.02878	0.5
86.09660	0.1
89.06024	0.1
97.02861	0.2
99.04343	0.1
103.37939	0.1
109.02865	0.2
122.25807	0.1
125.05930	0.1
126.65778	0.1
127.03933	0.2
137.05969	0.2
141.48625	0.1
149.05980	0.1
159.11665	0.2
167.07060	0.1
168.30542	0.1
170.09569	0.2
175.18999	0.1
258.05167	0.2
286.04715	9.9
291.25211	0.1
301.07074	100.0
315.55899	0.1
351.12289	0.6
366.14542	1.4
368.16086	0.2
383.11069	0.2
387.14563	0.2
394.13763	0.2
397.12717	0.3
412.15408	0.4
414.91339	0.1
463.12433	2.4
467.69763	0.2
505.13400	0.6
531.10828	0.2
549.12457	15.8
549.23395	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	548.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24590	2.0
60.08173	16.6
61.62009	2.2
71.41239	1.8
79.67871	2.1
86.09721	36.2
92.18457	2.8
104.10758	82.4
114.92351	2.4
125.00002	13.1
184.07358	100.0
386.64404	2.3
530.36096	5.4
548.29559	2.9
548.37158	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70275	0.6
55.21439	0.6
56.00718	0.6
60.07915	0.7
60.08168	6.7
69.91857	0.7
73.21110	0.8
86.09709	22.6
86.10556	0.7
98.84736	0.8
104.10764	3.0
120.38506	0.7
124.99998	10.1
154.76495	0.7
173.29919	0.8
184.07346	100.0
249.25671	0.8
293.12314	0.7
456.88278	0.8
548.37054	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	548.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	25.4
69.07083	36.4
72.28946	4.9
73.06643	4.4
75.57490	4.5
85.07773	5.6
97.06532	100.0
115.07631	8.3
129.09109	22.9
154.72658	4.8
159.87343	5.0
164.59990	5.2
211.13300	19.8
255.25542	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	6.3
57.03455	6.6
57.64796	4.4
58.10592	4.2
58.42811	4.3
58.47656	4.1
58.91860	4.5
59.55786	4.1
60.04547	6.6
63.15146	4.2
66.70123	4.6
67.05499	32.0
69.07060	10.9
74.55482	4.4
79.05482	21.7
81.07067	46.1
83.08620	9.3
84.85098	4.5
88.04003	8.1
91.05488	7.7
92.17935	6.0
93.07053	44.1
95.08605	27.8
97.06528	8.6
106.05052	8.2
107.08606	28.2
109.10161	6.2
121.10137	12.3
131.08617	6.6
133.10164	7.6
145.10181	6.4
159.11697	11.5
216.78781	4.9
269.17493	100.0
279.58569	5.2
289.25571	5.9
363.28992	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3498
Annotation	3-O-alpha-Mycarosylerythronolide B
Peak:m/z	Relative Intensity
57.25343	0.1
58.06609	1.9
69.07072	1.7
70.06590	0.5
72.08140	0.4
72.94986	0.1
84.08135	0.7
85.08928	2.1
86.09703	0.8
92.18404	0.2
93.39119	0.1
113.76407	0.1
114.12808	100.0
173.02901	0.1
216.67578	0.1
359.74820	0.1
502.29169	0.4
547.34924	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	548.261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44785	0.3
57.68281	0.4
58.06612	0.4
65.96731	0.4
69.60612	0.3
70.06585	1.7
72.08161	7.3
84.04510	0.4
84.08131	1.6
90.26062	0.5
98.09687	0.4
99.09228	0.9
111.09153	0.6
112.09991	1.8
112.11246	2.6
114.10267	0.7
123.04429	3.4
125.10743	0.8
126.11529	0.9
139.12320	4.6
155.11829	0.4
161.05919	0.4
163.03853	3.4
165.05528	4.0
181.92685	0.4
197.12859	0.9
207.11328	0.5
221.09308	0.6
225.12317	6.4
236.12810	6.6
253.11919	1.7
263.10275	0.8
293.18704	2.3
295.12997	0.8
296.11517	0.4
334.21298	0.8
341.01575	0.5
346.21475	2.2
358.21548	0.5
374.20670	3.4
382.21262	1.0
400.22443	1.9
410.20795	5.3
414.23615	0.5
427.21149	0.4
428.22241	0.9
432.24960	24.3
442.23352	23.1
444.24850	1.6
456.21210	2.0
460.24374	20.9
470.22827	4.3
473.21530	0.7
488.23917	8.8
498.22461	7.5
516.23248	0.9
530.25134	4.6
548.26105	100.0
548.73584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56822	0.5
58.06617	5.4
58.51582	0.5
59.38346	0.5
60.08173	55.0
64.14445	0.6
65.69383	0.6
69.07080	4.8
71.08636	2.3
72.08157	4.0
79.57972	0.6
84.08151	3.9
86.09711	15.6
95.04965	1.2
95.08578	0.6
97.06531	8.6
110.06061	0.6
112.07601	1.2
114.09172	8.5
119.04967	2.5
123.04452	3.0
124.07597	2.3
138.05490	0.8
141.10223	0.9
147.04422	3.4
149.09644	1.4
152.10658	0.6
155.08176	0.7
161.09639	4.1
177.09120	2.6
179.35600	0.7
180.13812	6.0
184.28882	0.6
189.09105	5.1
197.16504	0.8
206.11824	6.0
208.13356	3.3
223.14444	2.6
232.09692	1.0
233.05641	5.2
260.16415	0.7
293.22144	0.8
302.17487	0.8
361.24927	4.9
389.24500	0.7
547.34943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70677	0.1
53.70895	0.1
58.06604	1.9
60.11179	0.1
69.07066	2.0
70.06588	0.7
72.08155	0.3
84.08147	1.0
85.08936	2.1
86.09706	0.8
92.18439	0.3
114.12807	100.0
167.64644	0.2
280.71509	0.2
304.38309	0.2
327.14029	0.2
381.36398	0.2
502.29288	0.3
547.34900	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	547.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08562	0.1
54.34956	0.1
54.61347	0.1
58.06612	2.0
58.97891	0.1
62.98886	0.1
65.94010	0.1
68.86857	0.1
69.07076	1.6
70.06585	0.6
71.07368	0.1
72.08133	0.4
79.97848	0.1
80.71597	0.1
84.08145	0.7
85.08931	1.9
86.09725	0.8
99.10489	0.1
108.62498	0.1
114.12810	100.0
502.29187	0.5
545.02087	0.1
547.34961	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48946	0.4
50.57843	0.5
50.58075	0.4
51.55104	0.4
53.87020	0.4
55.01929	0.5
57.03793	0.5
59.97800	0.4
60.04524	0.8
61.07307	0.5
70.06598	7.2
72.04527	3.5
72.08166	8.3
77.77943	0.4
80.89758	0.5
83.04972	2.6
83.66663	0.5
84.08151	34.8
93.07037	0.5
98.09702	1.1
105.07070	0.5
112.07603	0.9
114.09174	40.6
115.08668	2.8
119.08566	1.2
125.10744	0.9
127.08684	3.5
129.01907	1.6
131.11800	0.5
134.09645	0.6
143.11806	54.0
147.08020	2.0
157.09694	2.9
164.10701	0.7
165.09088	0.6
173.12871	2.7
177.00304	0.5
193.13333	0.6
197.14142	0.9
213.45500	0.5
218.85497	0.5
231.12376	0.5
232.08534	0.6
239.15063	2.8
242.22722	0.5
251.26540	0.6
277.19104	0.7
331.22128	1.0
353.22055	0.7
373.24527	1.3
415.24591	0.6
445.50583	0.6
457.26675	5.4
487.23611	0.7
547.26031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2154
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
50.16244	0.2
58.30645	0.2
64.50158	0.2
76.79896	0.2
160.61574	0.2
170.09627	0.3
185.04193	0.4
217.08408	1.0
247.09399	8.3
277.50073	0.2
282.64746	0.3
289.59979	0.2
342.91696	0.2
353.13513	0.5
384.15399	0.5
385.16223	7.3
408.24615	0.2
416.67395	0.2
422.37665	0.2
494.73447	0.2
547.21521	100.0
557.90454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
58.12690	0.9
68.99786	3.8
69.03405	1.3
70.06602	6.8
72.08145	8.4
73.02881	1.1
75.78841	0.8
79.18604	0.8
82.20758	0.8
84.08135	4.9
85.02888	6.0
86.09702	3.8
95.50652	0.8
97.02878	4.4
107.04968	1.1
109.02888	1.5
111.04415	1.1
113.07944	1.0
115.08670	1.5
116.07034	1.0
119.04917	1.3
120.08096	1.2
121.02865	100.0
135.04341	1.2
139.03889	1.7
151.03944	1.1
157.10828	3.5
163.02657	1.6
163.03893	20.8
165.01855	2.1
175.03874	2.3
177.01917	4.0
177.05444	4.7
179.20721	0.9
183.02882	1.6
189.01892	1.4
189.05365	1.1
191.03304	1.3
195.02814	1.1
196.07578	1.0
201.01872	1.0
201.05429	1.6
203.03334	2.2
205.04967	9.3
207.02797	1.7
215.03458	1.0
217.05026	8.2
219.02963	9.1
219.06502	1.6
222.30440	1.0
227.03392	1.8
229.04903	7.3
230.25676	1.0
231.02841	17.8
233.04501	1.2
235.06081	3.8
241.04976	2.1
243.02966	9.2
243.06525	3.8
245.04361	3.8
247.06046	5.8
249.03961	9.5
255.02763	1.7
257.04431	5.0
259.05963	6.1
261.03946	16.5
265.06964	1.6
269.04456	4.4
271.05966	11.0
273.03986	9.7
279.05020	4.0
283.05988	6.1
285.03995	16.5
285.07199	1.4
287.05603	1.4
289.06805	1.0
291.05096	1.9
294.05417	1.1
295.06003	27.0
297.04007	7.4
299.05756	1.6
301.07047	4.9
307.05920	15.6
308.06677	1.9
309.03949	1.9
309.07425	1.8
313.07065	4.7
315.04974	17.1
321.07620	15.3
323.09229	1.4
325.07037	21.5
327.05072	7.9
333.07413	6.9
335.09064	5.6
337.06982	14.1
339.04971	2.2
339.08710	1.6
345.06427	5.9
347.09079	2.2
349.06863	24.5
351.08594	12.1
357.06094	1.9
359.09167	1.2
361.06976	11.8
363.08167	6.9
365.10117	1.8
367.08057	3.8
373.06943	3.4
375.07465	7.7
379.08121	33.6
387.08545	3.8
389.10324	1.8
391.08072	13.6
393.08124	9.2
397.09106	3.9
401.10281	1.9
403.08044	7.1
405.09561	2.3
409.09134	12.3
411.09229	22.4
413.08340	1.1
415.09299	5.1
421.09006	4.3
427.10336	19.3
433.09296	9.4
445.10117	6.8
451.10214	7.2
457.11407	10.8
463.10229	4.9
469.11279	17.5
481.05121	1.4
481.11316	23.6
493.11383	9.5
496.45798	0.9
499.12411	14.3
511.05219	1.8
511.12338	31.4
529.13403	36.9
547.14294	65.1
547.21979	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	546.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14690	0.3
55.05521	0.3
57.03417	2.4
58.06610	9.9
59.07363	2.3
60.08173	4.8
64.07472	0.4
67.05491	0.5
71.08603	0.4
75.04453	1.9
81.03407	0.4
81.07029	0.6
85.02886	1.6
87.04454	2.3
92.43327	0.4
95.08560	0.4
99.02266	0.4
99.08052	0.4
99.12257	0.4
102.05484	0.5
105.05537	0.5
125.16350	0.4
131.07016	1.6
144.10205	7.2
162.11217	3.2
166.56581	0.4
194.50595	0.4
218.13756	0.6
236.14926	100.0
297.17624	0.4
408.19275	0.6
409.19565	2.2
492.33340	0.5
510.34171	6.4
528.27905	0.5
528.35333	13.1
546.36377	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	546.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45167	1.9
54.48859	1.8
57.06879	1.7
57.07088	29.5
60.74284	1.9
67.72884	2.0
70.58659	1.9
71.08640	42.4
71.71600	1.9
85.10201	24.8
85.88104	2.0
86.03909	2.0
87.04471	8.4
89.06035	84.0
91.05444	3.1
93.07043	3.8
113.81696	1.9
119.08595	2.4
121.06500	42.9
133.08601	27.2
135.08076	8.8
135.11670	3.4
147.08095	14.5
149.09625	4.4
163.11180	7.7
165.09128	8.5
170.57141	2.0
177.11252	11.9
247.20572	19.6
248.96494	1.9
291.23175	10.5
307.49005	2.1
335.25867	8.0
403.23361	17.7
459.30875	13.6
529.37366	100.0
546.39612	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.6
63.64696	3.3
67.05521	27.2
79.05482	12.9
81.07063	44.1
83.80980	2.8
85.02933	3.5
91.03944	6.0
92.17872	3.8
93.07033	25.4
95.08611	38.7
97.02870	4.5
105.07025	7.6
107.08612	16.2
109.10151	18.4
119.08598	13.6
121.10123	26.1
123.11694	13.1
131.08586	4.7
133.10155	4.4
135.11708	25.3
145.10132	7.8
147.11720	5.4
149.13257	19.5
159.11633	12.2
161.13303	14.6
163.14880	11.1
173.13234	5.2
187.14742	3.3
205.17961	3.3
215.93373	3.1
225.98586	3.1
236.14911	4.9
243.21075	17.9
258.89828	3.2
261.22134	63.2
274.76633	3.2
296.57385	3.8
335.25806	13.4
353.26859	100.0
432.13770	3.8
451.85007	3.7
504.96118	4.2
546.36456	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18481	0.2
56.71820	0.2
58.06621	0.3
60.07903	0.3
60.08169	4.6
71.07359	1.2
81.07059	0.3
81.93287	0.3
85.62038	0.2
86.09715	22.8
98.98450	0.4
101.54823	0.2
104.10765	2.3
111.53990	0.3
125.00011	11.4
179.75664	0.3
184.07355	100.0
191.10075	0.3
409.57050	0.3
410.69244	0.3
528.34332	1.5
546.35626	14.2
551.27661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.356
Annotation	LysoPC(20:3)
Peak:m/z	Relative Intensity
57.03477	0.5
58.06582	0.7
60.07912	0.7
60.08173	13.4
67.05477	0.7
70.75320	0.6
71.07373	3.4
79.05476	0.7
81.07048	0.9
85.33907	0.6
86.09710	40.3
95.08624	1.1
104.10751	87.6
125.00003	19.2
145.10074	0.7
163.01573	0.7
183.66589	0.6
184.07347	100.0
242.26414	0.6
246.07715	0.6
258.11288	0.7
362.88950	0.7
475.82986	0.6
528.34552	5.4
546.35602	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61286	3.7
55.01871	8.4
55.05508	10.8
56.79178	4.6
57.03437	10.5
67.05505	47.0
69.03432	8.1
69.07070	34.8
69.45815	5.0
69.95512	4.9
71.04996	7.6
79.05497	37.4
81.03404	9.8
81.07076	57.0
83.04979	10.8
83.08617	6.7
85.02909	28.0
91.05482	33.2
93.07058	51.1
95.05006	6.0
95.08599	42.0
97.02883	7.7
105.07039	27.5
107.08603	40.7
109.02872	11.3
109.06625	5.3
109.10171	24.3
111.04425	5.0
117.07021	11.6
119.08586	33.7
121.06441	5.7
121.10163	22.9
127.03911	9.9
129.50270	5.4
131.08580	21.2
133.06509	7.4
133.10133	44.7
135.08035	10.4
135.11693	9.2
145.10167	20.1
147.08081	5.2
147.11731	19.4
149.09601	5.1
149.13263	30.2
157.10086	8.4
159.11705	22.1
161.13301	9.1
171.11624	6.2
173.11786	5.7
173.13176	6.7
177.12755	6.5
195.13715	41.8
213.14771	5.6
225.11087	5.2
249.14893	6.1
275.20111	39.0
339.17981	100.0
361.27594	9.2
405.30026	6.2
419.24414	20.0
462.06927	5.4
546.38672	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	546.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16298	0.3
55.24239	0.3
60.08168	4.9
60.17275	0.3
67.05500	0.4
67.61387	0.3
69.07100	0.4
70.55159	0.3
71.07380	0.6
76.02616	0.4
77.53998	0.3
81.07067	0.7
86.09715	21.9
92.18219	0.6
92.73865	0.4
98.60438	0.3
104.10761	1.9
107.08524	0.4
119.08549	0.4
125.00005	11.3
131.08508	0.4
184.07349	100.0
186.78322	0.4
331.70840	0.4
425.47534	0.4
528.35455	0.7
546.35522	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	546.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30073	9.1
64.16623	8.6
67.05507	24.1
69.07064	9.9
69.53797	8.9
77.20059	8.5
79.05505	14.5
81.07054	21.9
92.44005	9.5
93.07034	50.7
95.08610	13.9
97.06548	9.9
102.24793	11.6
107.08605	11.7
107.53286	11.1
108.99965	10.2
109.10148	11.6
122.91580	9.1
129.82378	11.8
130.26399	9.6
130.93091	10.7
133.10173	16.0
142.93675	10.9
149.13229	17.0
231.22623	10.6
269.17438	100.0
277.52124	10.0
349.23877	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	546.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.7
56.67167	2.5
57.03446	6.0
67.05506	31.9
69.07075	14.8
71.05039	3.0
72.01699	2.7
76.36250	2.9
79.05505	15.4
81.03435	4.9
81.07072	41.3
83.04938	2.7
83.08617	4.8
91.05477	13.4
93.07057	30.9
95.05025	3.8
95.08614	17.2
97.02885	3.6
97.06532	4.8
105.07013	6.1
107.08611	17.5
109.06561	3.5
111.08047	3.4
119.08601	15.1
121.10159	13.3
123.08003	2.8
129.05563	3.5
131.08556	7.3
133.10124	6.7
135.11694	6.6
142.05066	2.8
147.11650	4.7
149.09650	4.4
149.13266	20.9
159.11717	12.7
166.23206	3.3
177.12737	7.1
182.78214	3.1
206.05791	15.2
207.06548	18.3
232.92581	3.4
248.75052	3.3
269.17502	100.0
284.46307	3.1
338.97617	3.4
349.23901	15.1
405.29932	4.5
546.33875	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	546.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.9
56.23534	1.4
57.03439	3.0
58.82505	1.3
66.44300	1.5
67.05513	3.7
69.07061	6.3
70.16117	1.7
71.08631	3.3
79.41811	1.7
80.02074	1.8
81.07057	11.0
83.08601	3.0
89.39698	1.4
91.05476	2.6
93.07047	3.8
95.08013	2.4
95.08575	12.7
97.06527	1.7
97.10155	1.7
98.98417	3.4
99.08121	3.0
103.54958	1.8
105.07010	2.7
107.08589	7.6
109.06533	6.9
109.10151	2.3
119.08575	9.3
121.10165	6.5
123.08122	13.2
123.11705	2.1
133.10167	8.7
135.08116	2.3
135.11693	3.2
145.10066	2.6
147.11700	7.9
159.11722	2.7
162.19139	1.8
175.14804	3.7
177.12703	3.2
179.14282	25.5
193.15891	2.5
203.81563	1.5
205.15892	3.1
289.21396	2.5
293.21170	3.0
303.26773	2.3
331.26151	15.5
342.60471	2.0
349.27444	6.1
387.28864	2.0
405.30029	100.0
503.27692	6.9
546.31909	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	546.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19723	0.5
55.05515	0.7
58.06600	3.5
59.74965	0.5
70.06590	3.1
72.08160	16.2
79.15455	0.5
84.08146	8.5
98.06119	1.0
98.08443	1.1
103.92699	0.6
107.05034	0.8
109.02884	13.2
112.11245	36.8
114.10278	6.8
114.45809	0.7
115.08688	1.1
129.13902	14.2
147.04404	0.7
152.07085	3.5
163.03970	1.1
165.05452	0.9
165.71941	0.7
185.06061	3.3
216.03329	3.7
245.08208	1.1
263.09128	38.5
312.36398	0.6
326.10657	0.8
343.13293	0.8
368.12790	1.1
380.11462	1.1
385.15567	3.3
397.14093	2.8
402.17789	0.8
419.20480	0.9
457.16266	3.2
475.16901	7.5
546.24286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
57.67097	0.2
60.05650	0.8
69.05323	0.2
70.06599	4.9
72.08162	10.0
73.04065	0.3
73.06424	1.0
77.37128	0.2
84.08125	0.4
85.02914	0.3
86.07174	1.5
86.09709	1.5
87.07968	1.8
89.10764	0.3
93.07059	0.3
97.07649	1.9
98.06053	3.0
100.08754	2.2
112.07646	0.4
114.10294	26.1
115.08695	9.4
119.04952	0.4
121.52299	0.2
122.06020	1.1
130.12123	1.3
131.12933	0.5
136.07588	11.6
145.02843	1.5
157.10852	3.2
161.05928	0.3
161.07141	0.5
162.05504	34.5
163.03947	1.8
163.08662	0.3
164.07039	2.1
172.13162	1.5
215.11848	0.2
220.09737	0.4
221.66296	0.2
226.05081	0.4
228.06548	0.3
232.14433	4.3
233.12762	1.8
234.13747	0.7
234.16034	1.3
235.14389	2.7
240.06540	1.9
242.08148	0.5
245.99709	0.3
246.11087	0.3
250.15573	0.9
251.16353	0.4
252.17114	0.5
258.12277	0.5
260.13913	0.3
266.08127	0.4
268.06085	2.0
268.09625	1.3
270.07690	0.3
275.15060	3.5
276.15909	0.4
277.16629	2.7
284.09167	3.7
292.09698	0.4
292.17706	1.1
293.18417	5.6
294.19272	10.0
306.07535	0.4
308.09195	1.5
310.07248	0.3
310.10791	1.4
311.10324	0.4
312.08511	0.4
326.10245	1.5
334.07050	1.6
336.08646	1.4
336.12787	0.4
338.06631	0.9
338.15021	0.5
339.13351	4.4
352.08151	0.3
354.18317	0.4
356.07532	0.3
357.16861	0.9
361.07742	0.3
362.06671	0.5
374.08826	0.3
379.17398	0.3
380.07626	0.4
381.15051	2.8
382.16501	6.6
397.18207	0.5
398.18253	4.2
399.19061	4.0
407.16660	0.3
414.21454	1.8
423.20758	0.3
439.19727	0.4
440.22775	0.3
456.22269	0.4
486.19803	0.5
528.20844	0.3
546.21954	100.0
554.05347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05645	0.5
70.06586	2.2
71.31406	0.4
72.08160	9.5
73.04036	0.3
73.06419	0.4
86.07198	2.1
87.07980	3.9
88.96485	0.3
95.00982	0.4
97.07713	1.3
98.06055	0.8
100.08751	0.7
113.09502	0.7
114.09152	1.5
114.10294	13.3
115.08699	3.5
122.06012	3.6
130.12178	3.3
134.06026	0.4
136.07562	3.4
136.14279	0.4
144.06839	0.4
147.04387	2.5
147.07986	0.5
156.11357	0.4
157.10870	1.9
158.11674	0.6
162.05499	28.5
163.03987	0.4
164.06972	0.6
175.07541	1.9
201.05469	1.3
219.06526	29.5
228.06570	1.8
229.04935	3.8
232.14514	1.7
233.12935	1.3
233.15295	0.8
234.13768	0.6
234.16042	0.5
235.14296	3.2
236.09288	0.8
242.08101	6.4
246.07590	7.4
247.06009	12.6
251.16275	1.7
252.17210	0.7
264.08655	22.2
264.11444	0.8
266.08234	0.6
268.06140	9.5
268.09708	1.6
270.07391	0.5
275.15082	1.5
276.15811	3.9
277.16656	2.4
284.06378	0.4
284.09183	3.0
286.10669	0.6
293.18445	12.3
294.19290	12.1
294.22415	0.6
310.07159	0.8
310.10727	1.3
325.10675	0.8
326.10202	0.8
336.08856	0.5
339.13522	1.4
355.16513	0.5
356.07730	0.7
362.06558	0.5
374.08789	2.5
380.16122	0.7
381.15091	0.6
382.16507	4.5
397.18591	1.6
398.08850	0.6
398.18350	2.4
399.19135	2.6
414.21140	2.6
423.20374	0.4
546.21735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63998	0.3
60.63190	0.3
64.61606	0.3
67.03668	0.2
69.03437	7.6
77.03924	0.4
79.05483	1.2
81.03414	0.3
85.02907	0.3
86.55520	0.2
95.04976	2.6
97.02930	0.6
99.04470	0.7
105.03397	100.0
105.18155	0.3
107.04962	30.4
109.02884	0.4
123.04430	1.1
127.03920	9.1
130.35150	0.3
152.08319	0.3
170.09576	0.4
177.93057	0.3
203.27289	0.3
211.14381	0.3
224.40881	0.3
231.06493	1.9
249.07591	2.5
265.07062	0.3
267.08627	32.6
312.92453	0.3
316.33823	0.3
326.54849	0.3
373.12900	1.1
517.63995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35301	10.9
53.12216	9.3
55.37225	9.9
58.06603	18.6
59.06142	100.0
63.41543	10.9
69.07051	20.8
75.26635	12.4
75.89680	10.3
81.07061	21.1
83.08625	14.8
86.37515	9.8
95.08598	25.3
97.10217	14.4
100.68917	11.5
115.80727	10.5
119.08560	14.4
133.10097	18.4
153.89995	12.4
213.38168	12.2
285.24127	14.1
288.02527	16.1
315.66150	11.2
534.64996	12.1
549.22986	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	546.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36000	0.3
60.22909	0.4
61.47865	0.4
70.06571	1.8
72.08132	0.6
73.29712	0.4
73.48876	0.4
84.04429	0.4
85.02900	0.7
91.05501	0.4
100.07588	0.4
105.54121	0.4
119.08558	0.4
123.04374	0.5
126.32564	0.4
147.04442	5.9
147.08011	4.4
152.00723	0.5
155.11760	0.8
157.06442	0.5
163.03877	0.9
173.05948	0.6
175.07591	5.9
179.03336	0.9
181.20253	0.5
185.29834	0.4
189.05424	2.0
191.03442	0.6
201.05473	4.7
203.07109	0.6
207.06523	2.0
218.08189	0.9
219.06531	100.0
220.09833	0.7
222.11169	0.6
228.06616	0.6
229.04982	15.8
235.05891	0.7
236.09280	4.3
237.07573	0.5
246.07607	27.0
247.06018	38.7
264.08673	68.4
265.07108	0.5
313.45471	0.4
321.11230	1.8
325.10791	2.3
366.13300	0.6
384.14478	2.1
546.19720	80.9
546.26270	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67152	3.5
81.07059	4.7
93.07020	4.9
105.07037	7.5
107.08570	10.1
115.07543	6.1
121.10128	4.7
127.34921	4.8
131.04982	4.9
139.20207	4.5
145.02861	16.0
145.10121	17.4
147.11713	18.5
149.13364	5.5
159.11665	10.4
161.13252	67.3
163.45692	4.6
173.13208	5.8
177.05486	32.9
192.45325	4.9
214.00937	4.1
218.92615	4.1
255.21011	100.0
299.73795	5.0
387.28918	63.5
545.38464	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79148	0.6
53.03951	0.9
53.26942	0.7
55.05525	8.4
57.03436	3.9
62.30710	0.7
67.05177	1.2
67.05512	21.0
69.03437	1.4
69.07078	6.7
71.04991	1.5
79.05503	11.9
79.64718	0.9
81.03420	12.6
81.07070	22.5
82.11061	0.8
83.04967	2.0
83.08634	11.1
85.06536	1.2
90.94387	0.7
91.05468	8.9
93.07057	17.7
95.04958	8.4
95.08618	21.0
97.06557	3.1
97.10167	12.6
99.08144	1.3
105.07044	10.6
106.25320	0.8
107.04971	1.3
107.08611	14.0
109.10155	12.0
111.08069	1.8
117.07015	5.0
119.08569	12.6
119.98280	0.8
121.06503	3.4
121.10145	8.8
123.08060	1.9
123.11710	4.8
125.09642	10.3
129.07024	4.4
131.08565	9.3
133.06471	1.0
133.10136	9.4
135.08064	4.9
135.11685	7.7
137.09645	1.4
143.08580	2.0
145.10135	8.7
147.08002	1.3
147.11720	9.7
149.09605	1.0
149.13283	3.5
151.11255	1.0
157.10143	5.4
159.11696	8.0
161.09769	0.9
161.13274	5.3
163.11194	2.1
169.10104	1.0
171.10269	1.2
171.11694	3.1
173.09601	0.9
173.11942	0.9
173.13289	5.3
175.11296	2.9
175.14816	1.2
183.11684	2.0
185.13220	1.3
187.11160	0.9
187.14844	3.8
189.11279	4.1
191.14389	1.1
193.12224	4.1
197.13248	2.0
199.14874	3.6
201.16360	1.2
211.14738	1.0
213.16318	1.1
227.12842	5.1
261.22128	4.7
267.15884	11.5
271.42929	1.0
272.47849	0.8
285.22116	1.6
287.20209	1.0
301.25208	6.6
335.25650	8.4
372.75476	1.0
435.27112	1.1
435.32471	3.6
453.33585	2.0
471.34735	1.5
471.96848	0.9
527.37347	34.9
545.38458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37557	0.6
55.05517	10.3
57.03432	4.8
57.07085	1.2
67.05184	1.2
67.05515	26.6
68.68845	0.8
69.03415	1.2
69.07072	6.4
71.04977	1.1
79.05499	15.2
81.03432	12.8
81.07060	26.7
83.05002	1.1
83.08621	12.6
85.06541	0.9
87.09267	1.0
87.56668	0.8
88.28534	0.7
91.05479	8.1
93.07054	16.3
95.04982	9.3
95.08607	22.2
97.06530	1.8
97.10168	16.2
99.08099	1.1
99.69652	0.9
105.07047	10.4
107.04969	1.6
107.08594	14.5
109.06528	1.0
109.10165	16.1
111.08074	4.1
117.07019	6.4
119.08593	12.5
121.06504	1.7
121.10130	8.8
123.08077	1.9
123.11700	5.1
125.09623	9.7
129.07010	1.8
131.08572	12.4
133.10135	11.1
135.08054	1.1
135.11703	8.9
137.09586	1.6
137.13312	0.9
139.11258	0.9
143.08630	1.7
145.10094	12.1
147.08060	0.9
147.11697	9.7
149.09598	3.9
149.13298	4.4
157.10146	7.8
159.11711	7.5
161.13261	4.3
163.11209	1.4
169.10049	1.5
171.10175	1.2
171.11670	3.8
173.13196	6.7
175.11292	1.1
175.14888	1.3
183.11719	1.3
185.13364	3.0
187.14862	1.8
189.11177	1.9
189.12750	0.9
189.16426	1.8
193.12257	4.5
195.11737	1.0
199.14883	1.8
227.12759	4.8
243.21158	1.2
251.16330	0.9
253.06102	0.9
261.22089	7.4
267.15952	9.6
285.22189	1.9
301.25333	5.2
335.25763	7.3
378.49893	0.9
389.89471	1.0
410.90326	1.0
421.25925	2.0
435.32718	1.2
453.33487	3.7
469.83328	0.8
471.34872	1.9
527.37335	35.4
527.45599	1.2
545.38416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84129	11.7
67.05504	16.4
67.20641	16.3
70.98234	15.1
79.48103	13.4
81.07047	18.9
81.34839	12.9
83.08633	16.2
97.10166	13.9
101.44741	14.3
119.08550	19.4
121.10165	23.9
141.15401	14.3
144.21402	14.7
159.53638	14.8
167.56721	15.0
227.18839	15.4
306.77921	14.8
323.41870	20.1
370.52042	15.1
545.38306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2001
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
52.67851	0.4
56.67279	0.5
63.14621	0.4
64.08100	0.5
70.06599	0.5
123.01275	0.5
165.39740	0.6
186.09195	0.8
187.09535	0.7
245.69379	0.5
251.62337	0.5
383.14395	1.0
498.02765	0.6
521.31537	0.6
545.19800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
60.05649	0.8
60.17477	0.4
70.06586	2.8
72.08157	14.8
75.00067	0.4
86.07179	0.6
97.07661	5.0
98.06047	6.0
100.08727	0.9
105.07046	0.6
107.04898	0.5
114.10289	22.0
114.11094	0.7
114.12802	18.9
115.08681	4.1
131.04944	0.6
131.12952	0.6
133.06490	0.9
135.04401	0.8
137.05978	3.5
149.05978	2.6
153.05431	0.5
157.10841	3.1
159.04388	2.8
160.05247	0.6
161.05968	11.2
163.03889	17.9
167.06993	2.1
168.54408	0.4
177.05403	0.7
181.08580	2.2
191.07059	5.4
192.07816	9.5
193.08633	4.1
201.05487	5.5
206.11754	0.7
209.08067	7.0
210.08879	0.8
224.12798	0.9
233.12869	3.5
234.11208	3.1
252.09845	4.5
252.14706	0.6
253.08614	0.6
260.12631	0.4
265.16537	2.9
272.12787	1.8
276.13525	0.9
281.08109	1.9
293.15991	4.9
295.09872	0.6
295.42929	0.4
312.58206	0.5
313.10818	4.8
314.14877	0.6
319.20160	0.6
323.09192	1.9
355.11676	2.3
359.70447	0.4
437.80792	0.5
545.26038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1998
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
50.60154	0.5
59.33745	0.5
59.58439	0.5
63.18852	0.5
70.06575	0.7
71.50607	0.5
72.08151	0.6
74.43414	0.5
76.00056	0.6
81.32046	0.5
82.07145	0.6
86.09702	1.0
92.07800	0.6
92.18401	1.0
131.78262	0.6
133.42949	0.6
144.08044	0.6
164.41862	0.6
167.07045	0.9
177.05479	0.6
184.44847	0.6
193.08632	1.5
194.08995	1.3
211.09734	1.1
245.07837	10.5
269.07800	0.6
297.07684	1.1
359.09509	0.6
382.13837	0.9
383.14673	2.9
410.92142	0.7
545.19885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08174	4.8
60.62032	0.3
61.87410	0.3
66.71286	0.3
67.37003	0.3
71.07361	1.3
86.09711	23.7
97.47951	0.3
104.10736	2.0
125.00008	11.2
140.93521	0.4
150.95322	0.3
184.07350	100.0
204.42940	0.3
230.61345	0.4
244.78587	0.4
320.10635	0.4
354.40155	0.4
409.13535	0.5
514.86139	0.4
526.32660	0.8
544.33978	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	544.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	13.3
60.73302	5.8
71.08635	9.4
89.06028	100.0
92.25399	6.0
99.41340	6.3
112.77399	5.9
124.34056	5.9
133.08574	10.7
177.57175	6.4
415.25113	12.1
527.37927	38.3
544.40588	45.4
562.82098	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	545.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83889	0.1
52.96752	0.1
67.46066	0.1
68.99758	0.1
70.06554	0.7
72.08121	0.7
81.03417	0.2
81.07076	0.1
84.08139	0.2
85.02879	0.2
85.92847	0.1
86.09705	0.1
87.00810	0.2
91.36208	0.1
92.17751	0.1
107.04957	1.2
109.02853	0.2
114.10236	0.2
119.04919	0.2
121.02808	0.5
122.42367	0.1
127.03902	0.2
133.10074	0.1
135.04424	0.5
145.15950	0.1
147.04391	0.6
163.03914	2.1
175.03952	0.9
176.04716	0.1
191.14255	0.3
199.07579	0.2
203.03415	0.7
220.09727	0.2
223.07532	0.2
229.08595	1.5
241.08615	0.2
251.06989	0.5
255.06522	1.0
269.05222	0.2
269.08035	3.3
279.06488	0.3
297.07590	100.0
313.11121	0.2
459.12906	1.1
501.14038	0.2
527.11920	0.9
544.75342	0.5
545.12958	18.8
545.25366	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	544.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10069	0.8
60.08179	13.4
61.03130	0.8
67.05473	1.3
69.82630	0.9
71.07371	1.7
71.77874	1.1
81.07073	0.8
82.42974	0.8
83.78719	0.8
86.09715	40.2
91.05439	1.1
95.08607	1.7
96.62260	0.9
104.10754	83.3
105.07092	1.0
119.08510	1.0
121.10188	0.9
125.00003	18.6
135.11787	1.2
184.07353	100.0
196.60559	1.0
224.43201	0.9
526.33087	8.1
544.34033	75.1
567.25531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66913	0.3
58.06596	0.5
60.07912	0.4
60.08173	6.2
61.71461	0.3
71.07373	0.5
74.40592	0.3
84.43089	0.3
86.09711	23.8
97.58071	0.3
104.10753	9.7
125.00005	12.8
126.15748	0.3
184.07350	100.0
236.14859	0.3
293.29840	0.3
319.58627	0.4
526.32886	1.9
544.33997	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.34
Annotation	2-arachidonoyl-lysophosphatidylcholine
Peak:m/z	Relative Intensity
50.61364	0.5
52.99016	0.6
60.08168	10.3
64.21657	0.6
66.42971	0.6
67.05494	1.0
71.07372	2.4
79.05508	1.0
81.07056	1.2
86.09705	37.9
93.07024	1.0
95.08574	0.9
98.98420	0.6
104.10748	79.8
121.10128	0.9
125.00002	19.5
155.86906	0.7
184.07339	100.0
258.11069	0.7
259.80118	0.7
388.43277	0.6
526.32782	4.9
544.33997	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	544.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16084	0.3
51.43328	0.3
53.27926	0.3
60.08175	4.9
65.80303	0.3
69.50214	0.3
71.07348	0.5
86.09714	23.3
87.32929	0.3
88.02218	2.1
96.93525	0.4
104.10741	2.5
107.03646	0.4
107.81611	0.3
113.69529	0.4
116.05309	1.5
125.00018	11.5
184.07355	100.0
189.69481	0.4
191.10255	0.4
325.98117	0.4
384.42178	0.4
422.57147	0.4
526.32819	1.6
544.34058	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	544.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36542	0.5
56.61248	0.5
58.06623	0.5
59.15329	0.5
68.05031	2.7
79.51073	0.6
84.08165	7.1
84.08640	0.7
84.90067	0.5
86.02392	0.5
86.06076	69.7
86.09715	34.5
86.10239	1.1
91.55901	0.5
112.07628	1.0
112.11228	0.6
113.10764	0.9
114.05538	2.9
125.07115	0.6
131.08148	4.5
134.06015	5.8
135.81412	0.5
136.07614	4.7
138.51669	0.5
139.08688	0.9
140.07068	0.7
141.06602	2.0
141.10237	0.9
142.04999	0.7
154.12285	3.0
155.08144	1.0
157.09734	19.5
160.07492	0.5
162.09163	0.9
162.76976	0.5
167.08125	2.6
168.06616	0.7
168.08937	3.1
181.13364	1.9
183.10066	2.0
184.10896	0.8
184.58559	0.5
185.09221	7.4
187.11150	0.6
190.12346	1.0
193.94853	0.5
197.12903	3.4
197.16539	2.1
199.14491	2.3
202.12294	9.2
204.13893	1.2
207.11240	1.9
210.70370	0.6
211.10875	0.9
219.14857	0.8
224.10303	1.0
225.12370	17.6
225.15903	2.0
228.13889	4.4
247.14349	2.9
249.16034	1.2
250.15486	2.6
252.17014	6.6
270.18488	2.1
278.15005	3.8
296.16064	17.7
315.17221	0.6
315.20685	1.0
332.23459	1.2
341.18573	0.6
349.99362	0.5
360.19159	1.1
360.23010	2.7
409.24652	3.1
414.20322	2.9
431.23022	4.5
473.27466	2.3
499.29327	4.0
526.30408	0.9
527.28693	3.9
544.31360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96599	0.7
61.09232	0.7
68.05054	4.6
70.06615	1.4
71.85924	1.0
72.08170	3.9
79.04137	0.7
80.43753	0.7
84.08165	7.3
86.06071	81.3
86.09708	37.9
112.07664	1.2
112.11308	1.0
114.05566	3.6
114.10321	1.0
131.08215	4.9
134.05997	6.3
135.04396	1.0
136.07616	6.1
141.10263	1.6
142.05070	1.5
145.02924	1.0
145.74854	0.9
154.12288	2.8
155.08203	1.1
157.09720	21.8
160.07613	1.3
162.05530	7.0
163.03923	9.9
167.08258	1.5
168.09003	1.8
181.13414	0.9
183.10152	0.9
184.10925	1.8
185.09187	8.4
186.23476	0.8
190.12344	1.6
197.12874	6.5
197.16570	1.3
199.14481	1.8
202.12268	13.6
204.13850	1.0
207.11369	1.9
211.10899	1.5
220.09760	1.2
225.12361	21.0
225.16106	1.3
228.12019	0.9
228.14026	5.3
247.14685	1.7
249.16083	1.1
250.15511	1.4
252.17111	8.1
278.15204	4.8
296.06589	1.2
296.16074	19.9
296.19098	1.1
311.58453	0.8
312.12396	0.8
315.20898	1.0
342.18338	1.2
360.19131	1.3
360.23172	1.8
386.20840	1.1
414.20474	2.0
431.23166	3.5
473.27914	4.1
499.29465	5.3
524.06989	1.0
527.29053	3.9
544.31659	100.0
544.75696	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	544.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54013	0.3
53.57136	0.3
54.03474	0.2
55.05504	0.5
55.37072	0.2
57.07064	0.4
57.61518	0.2
60.91399	0.2
62.06062	0.3
65.16463	0.3
68.87074	0.2
69.03431	2.5
70.06580	0.6
72.08131	0.3
72.38469	0.2
74.02444	0.4
74.16723	0.3
83.04989	2.8
85.08914	2.7
86.09702	1.1
100.11262	100.0
107.04984	0.5
112.07596	0.4
114.10333	1.1
116.10738	0.5
118.06605	0.4
120.08101	9.3
130.08659	0.5
131.04898	0.3
131.13008	0.4
141.10274	1.6
144.10205	26.0
146.06073	0.7
160.07635	0.6
161.05850	0.6
167.07336	0.3
167.08665	1.9
169.32709	0.3
179.09729	0.3
187.10835	0.5
188.10706	7.4
188.14420	1.2
191.07137	1.8
192.07790	6.0
193.08151	2.6
195.08180	1.3
198.86812	0.3
199.03894	0.3
208.07297	0.3
208.78915	0.3
213.09099	3.9
214.08601	2.1
214.95410	0.3
220.13394	0.4
228.10249	0.5
231.15071	1.5
252.10228	0.5
321.07956	1.2
322.08304	1.4
345.18329	2.2
360.20792	0.5
385.46985	0.3
420.24747	2.2
544.25360	3.6
544.31024	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	544.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05630	0.9
69.62766	0.6
70.06583	3.3
72.08157	14.1
85.02897	2.4
87.00827	0.8
87.07958	1.0
97.07648	1.4
105.01923	0.8
106.91579	0.6
112.41491	0.6
114.09215	0.7
114.09475	1.0
114.10287	14.5
115.08676	1.4
122.06030	1.1
127.03915	2.5
130.12137	0.8
144.08116	0.8
146.05997	0.8
157.10834	2.6
158.11684	0.7
161.05983	3.6
162.05482	12.0
163.03889	1.3
167.07025	7.0
170.09657	3.0
171.10245	1.1
186.05414	1.0
188.07080	1.3
191.06996	2.6
200.07082	9.1
209.08107	2.6
233.12932	1.5
251.16237	0.7
271.14529	1.2
276.16238	0.7
280.09686	6.3
292.17670	1.3
293.18451	3.7
294.11279	1.5
297.09799	0.7
309.12015	0.7
312.12262	25.3
313.16467	0.8
322.10550	5.8
326.13925	1.0
337.11288	0.7
354.13348	3.9
372.14413	15.0
393.17950	1.0
436.21194	0.7
450.20364	1.1
467.22693	3.4
512.94281	0.7
531.10938	0.9
534.97906	0.6
544.27631	100.0
544.75342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27551	0.6
55.05510	0.6
58.28189	0.5
60.05638	0.7
70.06590	1.0
72.08154	12.2
73.06422	2.5
86.07191	3.3
86.09684	0.9
87.07969	2.6
97.07627	2.7
98.06069	5.2
100.08744	3.9
114.10287	27.7
115.08688	6.7
119.04922	1.0
130.12132	1.3
131.12877	1.0
136.07582	21.0
141.29182	0.5
144.08116	2.1
145.02844	3.6
157.10860	2.9
160.07590	0.8
161.07144	0.6
162.05495	68.7
163.03900	3.0
167.06999	3.1
170.09616	4.8
171.10379	0.8
172.13210	3.0
191.07086	0.6
197.47954	0.5
200.07059	7.5
202.14677	2.3
209.08162	1.0
232.14391	4.8
233.12918	2.9
250.15500	0.6
275.15051	4.1
276.15778	1.2
280.09677	2.5
292.17694	0.7
293.18439	8.2
312.12317	5.0
354.13348	1.2
544.27679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82685	0.1
51.17094	0.1
61.02893	0.1
62.79604	0.1
69.03431	0.2
70.06596	1.0
72.08147	0.6
74.48711	0.1
78.04713	0.2
79.05506	0.1
81.03413	0.1
85.02907	1.6
86.09699	0.2
91.03950	0.1
95.04985	0.1
97.02881	0.6
99.04460	0.1
105.07026	0.5
109.02844	0.2
114.10268	0.1
123.04413	0.7
124.05238	0.2
127.03889	0.5
133.06503	0.8
137.06003	0.1
144.06516	0.1
145.04976	0.4
152.04745	0.1
161.05969	1.5
162.05556	0.1
167.07037	100.0
178.06316	0.1
179.21614	0.1
180.08670	0.9
193.08611	9.6
347.14923	3.3
347.18997	0.2
365.15948	5.1
544.19867	0.7
544.28735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2242
Annotation	Zeatin-9-glucoside-O-glucoside
Peak:m/z	Relative Intensity
57.07074	0.9
59.05000	0.7
60.04531	0.5
61.02946	0.5
69.03429	0.5
69.07063	0.7
70.02934	0.3
70.06609	0.3
72.04527	5.5
73.02917	0.8
76.61446	0.4
81.03381	0.4
85.02914	8.2
85.06535	1.9
86.09692	0.4
87.08093	0.5
88.67833	0.4
90.05563	55.2
95.04987	0.8
97.02873	2.3
98.02422	4.1
100.03980	0.4
103.07595	3.1
108.02106	0.4
109.02880	0.6
113.06007	0.6
116.03459	9.6
124.07600	4.8
124.09111	0.3
127.03925	2.3
142.08646	4.2
145.04962	1.8
160.09712	1.4
166.08649	1.7
174.11272	1.7
184.09694	15.9
202.10759	22.6
220.11809	100.0
369.48895	0.5
382.17001	3.9
424.19522	0.4
544.33563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17904	0.9
69.03419	2.2
69.18508	0.9
70.06588	2.3
72.08161	1.8
73.20230	1.0
81.03435	1.6
85.02924	9.4
91.05445	2.2
93.07060	2.0
95.04984	1.8
97.02900	4.6
102.04716	1.2
103.05477	16.1
104.00639	1.0
105.07038	2.5
107.04952	5.5
107.47592	1.1
107.87413	1.0
119.04939	5.3
121.02850	1.3
121.06509	2.3
127.04012	1.8
130.04161	2.3
131.04936	50.1
133.06488	5.0
135.04477	1.3
135.08054	4.4
137.05983	52.0
147.04434	11.9
149.05991	14.3
150.06750	5.2
151.03926	7.2
151.07536	1.3
161.05957	10.8
162.06767	15.5
163.07533	100.0
164.08330	13.2
165.05453	5.1
167.03416	1.4
167.07039	2.5
177.05481	1.6
179.07050	4.8
181.04977	10.4
193.04979	4.5
193.08502	1.2
205.04869	2.0
207.06482	10.6
214.29297	1.3
223.06033	1.9
283.09241	1.4
297.07547	37.5
299.09155	12.2
313.10748	1.9
323.11426	1.3
329.10181	22.1
331.11771	7.3
341.12320	2.4
347.11169	16.2
358.02496	1.2
444.51608	1.3
539.32294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93226	0.7
55.01865	0.8
60.47491	0.5
63.37245	0.5
65.03946	3.1
69.03446	2.8
70.06551	0.6
81.03406	1.5
85.02919	7.0
91.05457	1.1
93.03408	7.7
93.07038	3.3
95.04989	1.6
97.02906	1.2
103.04087	0.7
103.05477	10.1
107.04964	29.8
108.02094	1.4
109.02895	1.3
110.03687	2.9
111.04461	10.0
114.29399	0.6
121.02905	5.4
121.06511	41.7
123.04436	2.8
125.06005	3.7
127.03920	4.2
131.04944	17.3
132.05750	7.6
133.06444	4.8
135.04422	4.7
137.01376	0.7
137.02345	3.5
137.06010	1.3
140.04730	2.5
141.05513	3.0
144.08041	1.5
145.04964	1.5
145.06572	0.8
149.05989	93.5
151.03880	5.6
154.02612	3.4
155.06993	1.5
161.05995	4.4
169.04936	5.2
170.09695	3.0
173.06017	3.8
179.03325	0.8
181.04991	4.1
195.11273	1.0
197.04463	100.0
199.05988	1.4
220.84142	0.8
225.47156	0.7
245.08246	0.9
263.09204	1.4
264.60800	0.6
281.10172	6.6
289.11011	0.8
296.37509	0.7
311.08752	1.0
317.10211	17.0
329.10190	16.7
347.11301	1.3
544.27429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48857	0.5
62.93917	0.6
69.03424	1.4
70.06608	1.0
72.08155	2.5
72.94466	0.7
85.02919	8.9
86.09752	0.8
87.00804	0.7
91.05476	3.2
93.07042	1.1
95.04994	1.2
97.02892	1.5
99.08097	2.7
103.05478	1.3
105.01888	1.1
105.07045	9.0
114.81969	0.7
119.04929	9.8
121.06506	12.7
122.03630	0.8
123.04420	1.0
124.05249	0.7
127.03933	2.6
130.04161	4.6
131.04941	3.5
133.06500	11.9
134.03687	0.8
135.04416	3.2
137.05986	100.0
140.04802	0.7
145.04956	1.4
147.04410	18.8
149.05991	28.4
150.06792	12.4
151.03905	12.1
151.07585	2.5
161.04582	0.7
161.04942	0.7
161.05971	37.8
162.06754	58.2
163.03903	7.2
163.07533	3.0
165.05492	3.1
167.03339	1.0
175.03938	0.9
177.05450	3.5
178.02618	3.0
179.07047	6.3
181.04967	2.6
181.06476	1.1
191.03409	1.0
193.04993	23.8
193.06697	1.3
205.04938	1.6
211.07631	2.3
213.09103	3.1
220.09677	3.0
221.05876	0.8
223.05980	7.4
225.09123	1.2
239.07132	1.3
241.08588	1.0
267.06503	0.9
284.06784	1.0
285.07822	1.1
285.68164	0.7
297.07574	32.2
299.09137	34.8
302.07831	1.1
311.09103	2.5
317.10162	20.3
329.10208	52.6
347.11267	13.2
384.88824	0.8
389.02933	0.7
427.46930	0.7
544.22546	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	543.3337
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
54.50530	0.4
58.06579	0.8
70.06578	0.6
72.06519	0.4
72.08133	0.9
84.08126	0.7
89.41939	0.5
93.05783	0.5
114.12813	0.6
150.51700	0.5
160.07571	33.9
161.08258	0.9
170.09596	3.0
174.09109	1.2
180.29736	0.5
186.09140	100.0
187.09920	36.2
202.10922	0.7
203.11697	0.6
206.87625	0.6
217.13281	6.3
218.14134	34.6
343.12418	0.5
384.24103	3.2
425.53397	0.5
461.34232	0.5
469.87851	0.6
487.33524	0.5
543.33405	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93100	1.9
55.05529	3.3
57.07076	1.8
59.30536	2.0
63.82096	2.2
66.57818	2.0
67.05489	13.5
69.07082	4.1
69.20214	2.1
79.05491	22.9
81.07047	13.9
81.22457	1.8
82.97459	1.9
83.08646	2.7
91.05446	4.4
93.07047	34.0
95.04976	3.2
95.08611	24.7
105.07067	6.9
107.08585	18.9
109.10134	2.4
117.07009	3.0
119.08578	4.3
121.06577	2.1
121.10149	8.4
133.10086	3.7
135.11676	30.8
145.10115	20.2
163.11154	26.9
227.12775	27.2
300.22623	2.1
524.70770	2.9
543.36792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28115	0.9
53.41242	1.0
55.05527	1.1
60.05640	1.9
70.06573	1.5
72.08165	9.4
72.27748	1.0
84.08138	1.7
95.44913	1.2
97.07626	1.1
98.06033	1.4
114.10292	11.2
123.84765	1.0
131.12892	7.7
135.04419	1.1
144.08064	1.7
157.10834	5.5
163.03870	6.4
167.07024	27.6
170.09599	4.4
171.10297	1.6
187.03928	2.5
192.07785	4.7
199.03914	30.6
217.04893	7.9
240.72632	1.1
247.07486	1.1
250.06097	1.1
250.86440	1.1
261.05322	1.3
275.06985	1.2
278.05783	1.1
289.04974	12.4
292.07410	1.5
293.08023	8.1
303.06619	1.9
306.05084	10.1
313.87042	1.1
321.07516	53.1
321.11270	2.0
338.07733	2.4
353.10138	24.2
474.11746	1.5
474.52405	1.1
506.25513	1.4
507.38785	1.3
543.24414	100.0
543.74854	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	543.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58860	0.5
55.32848	0.6
60.05654	1.1
68.93594	0.5
69.07102	0.5
70.06610	1.0
72.08164	6.2
81.07050	0.8
85.02904	0.7
87.00875	0.6
95.08593	0.9
97.07640	1.0
98.06026	0.7
105.07034	0.9
108.03716	0.5
109.02839	0.7
109.10175	1.2
114.09167	2.3
114.10284	8.2
115.08641	1.1
119.08618	0.7
121.10135	0.7
123.04440	1.1
131.04936	3.8
131.12903	6.6
132.05681	5.3
135.11766	0.7
157.10854	2.1
159.04395	3.5
160.05177	5.2
161.05963	1.4
163.03873	3.3
163.06126	0.6
163.07553	2.6
167.07053	4.0
177.05458	1.2
179.07007	4.1
180.07852	6.1
187.03911	1.4
191.07018	26.0
192.07813	95.2
199.03929	5.6
204.10196	0.9
207.06512	4.9
208.07317	1.0
209.08095	2.1
210.08830	1.2
263.15079	2.7
265.08734	0.6
293.08066	1.2
321.07623	3.4
325.10739	0.6
341.09882	0.8
353.10223	3.6
371.11090	0.9
526.22339	0.8
543.24451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00213	0.6
56.24331	0.6
58.27132	0.6
60.05638	2.8
66.53323	0.7
69.53245	0.5
70.06577	0.7
70.45660	0.6
72.08174	6.4
81.03398	0.7
81.07088	1.1
97.07664	1.6
105.33395	0.6
114.10290	10.7
115.08667	0.9
121.06452	0.7
131.04939	4.3
131.12927	4.3
132.05719	5.8
133.06456	0.7
153.95059	0.7
157.10852	1.5
160.05182	7.8
161.02220	0.8
161.05968	10.7
163.03897	4.8
163.07530	1.1
167.07024	4.2
177.05472	1.4
179.07036	1.5
180.07829	2.7
181.08595	1.0
191.07039	20.9
192.07825	73.8
193.08626	1.7
199.03954	4.7
207.06540	7.8
208.07349	1.5
209.08112	8.5
210.08896	1.3
219.08020	0.7
252.09950	8.7
255.00017	0.8
263.15073	1.4
275.07150	0.8
293.08041	1.3
321.07599	23.5
353.10205	5.6
388.08401	0.7
543.24524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02466	0.3
58.06590	1.7
58.10814	0.4
58.13483	0.4
66.50260	0.4
69.73404	0.4
71.91681	0.4
72.08147	1.0
72.70177	0.4
74.67278	0.4
76.80779	0.4
81.23595	0.4
90.44328	0.4
112.08670	0.4
119.09390	0.4
133.06471	0.6
149.05963	0.6
150.06718	0.6
160.07574	37.5
161.08348	0.6
163.03876	2.2
166.09512	0.6
167.06981	1.0
170.09557	1.0
174.09129	0.5
177.05559	0.5
184.38815	0.4
186.09143	100.0
187.09924	27.1
193.08641	2.9
194.08954	3.6
203.11662	0.5
209.08031	1.9
210.08360	0.8
211.09622	4.1
212.09952	2.3
217.13350	4.5
218.14119	16.3
220.09656	0.9
263.00354	0.4
265.54721	0.5
278.37009	0.4
315.16809	0.5
317.18579	1.7
543.23364	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24569	0.2
58.06587	1.3
75.89803	0.2
125.56573	0.2
137.58296	0.2
144.08090	28.9
145.08847	1.2
158.09636	1.0
159.10390	0.3
170.09645	100.0
171.10422	22.9
187.12315	0.6
199.12178	0.3
201.13884	4.1
202.14651	17.6
202.89873	0.3
234.60085	0.2
301.19144	1.0
345.13339	0.3
440.23099	1.1
499.24255	2.6
500.04330	0.2
543.23389	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	0.8
63.10278	0.6
70.06589	1.4
84.05622	1.4
84.37879	0.6
85.02353	0.6
85.02889	0.6
86.09694	0.9
89.02846	0.7
114.09145	0.7
122.66079	0.8
133.86163	0.6
143.11823	1.1
160.07581	35.1
161.08342	0.9
170.09557	1.2
174.09151	0.7
186.09148	100.0
187.09927	24.0
203.11653	0.9
217.13368	4.1
218.14192	11.5
226.15523	3.9
296.92273	0.7
441.83472	0.8
543.23322	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86349	0.4
53.92796	0.6
65.34494	0.6
66.92946	0.5
67.05512	0.7
70.06594	25.9
71.06902	4.3
72.08164	6.7
81.03405	0.6
81.97567	0.7
84.08118	3.7
85.02917	0.9
85.34725	0.7
95.04964	0.6
95.08587	1.2
96.05340	0.7
98.06032	1.1
107.08525	1.0
109.06605	0.7
112.07607	4.7
113.07887	0.7
114.12789	3.0
119.08554	0.9
123.07996	0.6
124.07573	1.0
129.10194	1.3
145.10159	0.8
155.11751	1.5
163.03880	4.6
207.13873	1.0
218.02745	1.1
220.09703	3.8
221.07916	0.7
222.11308	0.9
236.09262	0.7
237.02855	0.9
253.47820	0.7
336.12918	0.9
337.13098	1.6
499.19025	1.5
499.26645	1.0
525.22144	6.0
526.24805	0.7
534.23468	0.9
543.18225	100.0
543.26013	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	543.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20361	0.1
60.10598	0.1
65.07920	0.1
70.06612	0.8
71.20025	0.1
72.08179	0.8
74.02451	0.1
84.08157	0.4
85.02917	0.1
86.09737	0.1
102.10450	0.1
114.10314	0.1
115.05424	0.1
117.05772	0.1
118.06543	2.1
120.08152	0.1
127.03952	0.1
129.10222	0.2
130.06531	0.2
132.08107	2.0
141.09103	0.2
142.06519	0.4
143.07303	0.3
144.08099	5.7
146.06020	33.6
159.07880	0.2
159.09169	4.3
159.10454	0.2
160.07567	0.2
170.06030	1.5
188.07077	100.0
189.07314	0.1
201.30307	0.1
205.09738	42.0
236.12854	0.2
514.13269	0.1
525.16663	0.2
543.17206	0.6
543.24188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93462	0.6
79.05479	0.8
93.06976	0.7
94.29979	0.6
103.05464	3.3
105.07033	30.4
115.05444	5.4
118.04172	0.7
121.06535	0.8
124.10824	0.5
130.24838	0.6
131.04953	4.3
133.06494	55.1
143.04997	0.9
143.06052	3.7
149.05963	3.4
157.52028	0.6
161.05969	100.0
162.06712	0.9
163.07538	2.8
176.04466	11.8
177.05414	7.9
178.78076	0.5
179.06981	1.0
184.04955	9.8
185.05714	2.0
191.07022	11.3
193.08621	18.9
193.10310	1.0
205.04710	2.4
206.05125	0.8
209.08089	2.9
215.06783	23.3
215.08736	1.0
230.05464	0.5
231.06274	0.8
290.07623	0.7
291.08307	7.4
322.87878	0.6
331.70453	0.5
369.42654	0.5
483.16245	49.2
543.18359	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68360	0.7
57.45791	0.8
63.74294	0.7
87.54029	0.8
107.04941	0.9
144.08080	1.7
145.23820	0.9
167.07076	1.6
170.09610	5.7
171.10246	3.2
188.13118	1.1
291.10278	1.4
317.92023	1.1
347.79739	0.8
351.12308	1.4
383.14749	1.3
389.18112	0.8
440.77219	0.9
446.80142	0.9
528.57690	1.0
543.18365	100.0
543.35992	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	543.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37848	1.0
53.29433	0.9
61.02901	1.3
69.03417	1.3
70.06585	1.8
85.02911	2.8
97.02841	1.8
123.04393	1.4
128.71567	1.1
136.06169	9.9
136.07594	4.9
163.03900	4.9
182.08154	2.3
236.14978	1.7
245.04977	1.7
381.07864	1.5
462.79254	1.2
543.12354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1122
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
53.25892	1.3
63.05454	1.4
91.82227	1.5
108.72520	1.4
136.68442	1.4
151.48923	1.6
296.11969	1.6
453.15866	1.6
543.11646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72748	0.6
53.83988	0.6
56.83872	0.6
85.02895	2.8
105.60111	0.7
198.96982	0.7
276.99811	1.0
372.08511	0.8
403.12619	1.0
428.35345	0.9
543.13202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02764	0.5
56.05024	0.7
57.39093	0.5
58.06611	47.9
70.06599	42.9
70.06989	1.3
84.08150	4.0
86.09713	32.2
93.07030	0.6
98.06059	20.7
100.11263	9.0
104.58854	0.6
110.80457	0.7
115.08698	6.7
125.07164	0.7
126.05511	12.6
134.06018	8.9
138.12776	6.8
155.11790	1.2
160.03893	0.9
160.07639	0.9
166.10982	0.5
167.32431	0.5
181.13373	3.0
182.14131	0.5
183.11330	0.9
183.14912	4.3
197.16524	1.3
202.12268	14.3
202.14162	0.6
209.12860	10.7
219.14951	1.1
225.15947	1.3
247.14426	2.4
270.18509	1.2
275.13443	0.5
294.18030	1.0
315.20691	1.2
332.23358	0.7
344.19974	0.8
360.22824	2.8
388.22552	1.1
407.26385	1.0
429.28586	0.9
439.27106	0.8
457.28159	5.4
525.30859	0.9
542.33417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89869	1.4
55.95594	1.4
57.07082	32.2
71.08334	1.5
71.08636	25.9
73.06558	3.6
85.10191	19.0
87.04468	6.4
89.06030	100.0
97.10138	2.2
99.11769	1.9
133.08601	29.8
134.72321	1.6
177.11218	9.7
221.13939	3.9
243.23097	3.9
254.51802	1.5
287.25861	6.5
327.20197	2.2
371.22870	9.5
461.62701	2.0
481.37381	2.6
525.39990	62.8
542.42596	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04824	0.4
51.07002	0.4
55.36873	0.4
56.05027	0.6
58.06587	0.6
59.19902	0.5
59.57029	0.5
60.07913	0.7
60.08175	12.6
60.59470	0.5
67.05498	1.1
71.07362	2.7
79.05495	1.2
81.07094	0.6
86.09711	42.6
91.05476	1.2
93.07057	1.2
104.10757	89.5
105.07021	1.0
117.12027	0.7
124.99144	1.2
125.00011	19.5
125.00939	0.8
131.08652	0.7
137.43106	0.7
184.07355	100.0
185.63878	0.6
524.31287	5.5
542.32465	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08172	5.4
63.30350	0.2
63.30766	0.2
71.06986	0.2
71.07377	1.0
86.09706	23.8
91.05434	0.2
92.18416	0.3
98.98469	0.6
101.89038	0.3
104.10773	2.6
111.18752	0.3
125.00002	15.0
184.07338	100.0
229.71448	0.3
255.81342	0.3
271.83060	0.3
281.49811	0.3
400.79373	0.3
504.76703	0.3
524.31537	1.8
542.19629	0.3
542.32416	13.8
542.40778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04479	0.4
56.56870	0.4
70.02951	2.2
70.06599	35.8
80.02399	0.5
83.16863	0.5
83.91724	0.5
84.08149	15.5
86.06058	3.0
87.05593	13.5
96.88624	0.6
99.09217	0.6
101.10786	3.9
110.07158	1.1
114.05534	5.1
116.07091	0.9
122.06047	0.8
129.10245	17.6
130.08672	7.1
141.06595	6.6
147.11293	17.8
158.09221	0.7
163.03886	0.5
167.08191	2.2
175.81834	0.5
181.13402	0.6
185.09259	5.2
186.08760	6.9
195.07724	2.4
209.12886	1.3
214.42464	0.6
226.15448	6.7
242.07910	0.6
244.16559	35.7
254.11403	2.0
278.15009	0.7
296.16052	3.9
313.18765	2.4
320.90158	0.6
341.18243	2.0
520.56317	0.6
542.29401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06622	0.9
60.44614	0.6
67.70522	0.6
67.76032	0.6
70.06587	7.0
72.08156	5.1
84.07672	1.3
84.08144	23.2
86.09669	1.1
98.09674	1.6
99.06818	3.1
100.07602	3.0
110.09676	4.4
112.11233	9.0
113.07117	0.9
113.97871	0.7
122.06010	4.0
129.13852	3.6
134.06021	3.2
136.07550	2.7
145.02870	0.8
145.38370	0.6
147.08057	0.7
155.11783	19.1
158.06070	0.9
162.05461	9.2
163.03931	4.1
164.07071	6.5
167.06970	1.2
174.09143	7.1
190.12202	2.8
200.06996	1.2
209.08076	0.9
216.10179	9.7
219.11301	33.1
220.12061	3.8
221.12834	26.2
222.11223	3.5
235.14442	2.6
241.28664	0.7
250.59529	0.8
252.10231	1.2
257.13080	0.8
267.87161	0.7
273.16022	5.1
280.09671	8.4
290.18604	8.3
291.19397	5.3
312.12317	13.9
411.18964	1.1
471.21216	5.5
542.28577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40028	0.4
51.66493	0.3
52.81563	0.3
55.05521	0.4
58.06609	6.3
58.40360	0.3
59.30355	0.3
67.39825	0.4
69.39250	0.4
70.06231	0.6
70.06596	12.6
72.08160	12.1
75.46389	0.4
75.56780	0.3
84.08150	27.6
85.02909	0.5
86.09711	7.4
88.16661	0.4
88.65688	0.4
89.10799	0.5
90.77292	0.4
96.08144	0.5
98.06059	3.5
98.09695	4.5
99.19680	0.4
101.10776	2.1
110.09637	0.5
111.04440	0.6
111.10505	0.4
112.11233	4.4
114.09241	0.6
115.12350	0.6
122.06073	0.4
123.04446	0.9
127.08676	2.4
130.06812	0.4
134.06053	0.7
136.07516	0.6
146.06036	2.5
148.07568	10.3
152.10725	1.6
153.11070	0.7
155.11792	21.2
160.07613	2.0
162.05524	1.8
162.09151	2.4
163.03900	1.6
164.06982	0.6
167.07056	2.4
170.11815	0.6
174.05525	0.7
174.09126	6.2
176.07088	8.1
176.10709	5.2
178.08627	0.5
188.07088	6.5
190.08623	3.2
193.08604	0.7
201.10129	0.5
202.08647	6.4
203.11786	14.2
204.10202	5.6
205.08652	0.7
214.08662	1.6
216.75739	0.5
219.11237	0.7
221.12903	2.3
222.11259	0.7
247.14450	1.8
257.63162	0.4
259.14407	5.3
261.15942	3.2
262.15503	0.4
273.16019	2.0
290.18646	8.7
291.19495	0.8
324.12128	0.5
444.41315	0.4
524.26685	0.6
542.28650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	4.6
64.66869	0.6
70.06597	10.8
72.08156	8.9
75.07827	0.6
84.08150	27.5
86.09704	5.8
86.17545	0.5
91.97588	0.5
98.06062	1.4
98.09719	4.1
99.06824	1.1
100.07628	0.8
101.10735	0.6
110.09709	1.4
112.11238	6.2
114.09172	6.9
127.08701	0.8
129.13869	0.6
134.06050	1.2
136.07570	1.1
146.06017	1.0
148.07538	7.9
154.87845	0.5
155.11790	19.4
160.07573	0.7
162.05475	4.4
162.09175	0.8
163.03915	1.0
164.07037	1.3
167.07068	2.6
170.09683	1.2
174.09102	5.7
176.07011	4.9
176.09409	0.9
176.10588	4.4
188.07018	4.2
190.08650	3.2
190.12396	0.9
192.07845	2.6
193.08522	0.7
200.07034	1.0
202.08644	6.7
203.11842	10.2
204.10258	3.4
209.08101	1.0
209.16544	1.0
216.10193	2.8
219.11272	9.9
220.12048	0.9
221.12869	10.0
225.17241	0.7
228.93672	0.7
235.14413	0.7
247.14476	0.8
259.14383	4.3
261.15979	1.4
273.15970	2.4
280.09860	2.7
281.68692	0.7
290.18567	8.0
291.19553	2.8
312.12308	5.4
501.23312	0.8
542.06366	3.5
542.28687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51385	0.6
63.85636	0.7
69.03436	0.8
70.06596	7.4
72.08157	1.4
78.29164	0.8
79.05536	1.0
81.03465	0.7
81.07082	1.1
85.02920	7.5
86.09716	1.0
91.05500	0.8
93.03414	1.5
93.07063	1.1
97.02900	1.3
97.52983	0.7
100.07640	0.9
103.05479	1.7
105.07034	4.5
107.04945	0.8
119.04953	1.0
121.06536	5.1
122.03654	1.3
123.08107	1.3
125.05975	1.1
127.03987	1.4
130.05037	1.1
131.04918	9.1
133.06506	27.5
135.08057	4.8
135.35773	0.7
137.05992	100.0
137.09618	3.3
143.04913	0.9
145.05003	0.9
145.06473	3.2
147.08023	0.9
149.06004	6.3
150.06787	3.0
151.07561	11.3
153.09146	0.9
163.03949	0.9
163.07541	31.5
165.09128	8.7
167.07057	4.1
169.24731	0.8
171.08041	1.6
175.07515	1.1
177.05460	3.7
177.09076	1.2
181.08583	2.9
185.09930	0.9
187.10841	1.7
189.09119	4.6
193.08620	31.2
203.10619	6.4
209.08092	16.8
210.08534	1.7
211.09669	23.1
215.13805	0.9
221.11653	1.2
223.04240	4.2
224.13832	0.8
235.11237	1.3
263.10547	1.2
269.14374	1.2
295.13306	7.1
318.85587	0.8
327.15936	41.1
327.21756	1.1
341.99222	0.7
345.17081	12.3
371.14896	0.8
432.59583	0.7
500.69382	0.8
542.23810	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	542.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.1
55.33149	0.3
57.14673	0.4
61.09652	0.4
67.05519	6.3
69.03437	1.7
69.07075	2.5
70.06599	100.0
71.05000	0.8
71.29993	0.4
72.08169	4.7
73.08495	0.6
81.03432	0.5
81.07048	0.8
83.04935	0.5
84.08138	2.2
85.02911	2.7
85.06564	1.6
88.23907	0.5
89.10808	0.7
93.07055	2.3
94.06597	3.0
95.04977	9.2
95.06121	0.6
95.08614	5.3
97.02888	1.8
97.06589	0.4
98.06043	1.8
105.07024	1.1
107.08573	1.8
109.02883	0.9
109.06505	0.8
109.10159	1.6
110.06042	1.0
112.07614	29.5
113.06036	0.8
114.09129	0.6
115.08694	0.8
119.08582	9.5
121.06509	0.6
123.04431	0.7
123.08089	4.2
123.08880	0.4
127.03889	1.7
130.08678	3.7
130.09468	0.5
133.10144	0.9
135.08067	0.9
137.09636	0.6
143.08534	1.0
145.02762	0.7
145.10098	1.7
147.11671	0.8
149.09610	2.6
151.07516	2.6
154.08606	2.4
157.10115	1.7
159.11630	0.5
161.05887	0.7
161.09477	0.6
161.13222	0.7
163.02670	0.4
163.03897	4.4
164.04205	1.9
167.07068	5.9
171.11681	0.6
172.09671	0.5
173.13217	0.4
175.11198	0.6
178.08612	1.7
185.13177	1.9
189.12675	2.9
191.07018	0.6
192.10144	0.9
204.17722	0.4
207.13712	2.5
215.14284	0.6
220.09557	0.9
220.65935	0.4
222.11278	0.5
222.37900	0.4
223.07449	0.8
233.15343	3.5
238.10622	2.5
251.13899	3.0
252.14021	2.4
255.10117	1.0
256.11667	2.3
267.09985	0.6
274.12827	5.6
283.09518	0.8
292.13840	2.5
295.09729	5.2
300.10645	0.6
315.12146	4.0
318.11563	2.2
327.12253	4.6
333.13019	2.1
336.12729	3.4
345.13406	5.5
352.56033	0.4
363.14041	1.6
498.27026	12.9
524.27509	2.7
524.35040	0.6
542.25464	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56030	0.3
65.03951	0.3
67.05510	3.9
67.38035	0.3
69.03436	0.7
69.07075	1.7
70.06598	100.0
72.08154	2.3
81.07044	0.4
84.08161	1.5
85.02912	0.6
85.06567	0.4
94.06570	2.1
95.04979	7.0
95.08632	3.9
97.02909	0.7
105.07032	1.8
107.08604	0.5
108.28885	0.4
109.02886	0.4
112.07610	30.4
113.06006	0.7
116.26821	0.4
119.08572	2.4
121.10154	0.8
123.04424	0.6
123.08088	2.8
123.99763	0.4
124.07601	0.5
127.03935	0.8
129.23776	0.3
130.08627	2.3
131.08597	0.4
133.10129	0.6
136.07555	0.7
144.99074	0.4
147.11655	2.1
149.09630	1.7
151.07498	0.7
154.08603	2.7
159.07999	0.8
161.13278	0.7
163.03915	1.4
165.05574	0.4
172.09637	0.7
175.11113	0.4
178.08521	0.6
189.12727	2.1
207.13792	2.3
211.09769	0.5
220.09676	1.5
222.11243	3.5
232.11569	0.4
238.10728	3.1
247.15805	0.4
249.11276	3.7
256.11856	2.5
274.12802	5.5
292.13892	3.8
318.11661	2.5
336.12894	22.7
480.25842	0.6
498.26990	6.6
524.24609	0.5
542.25641	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57499	0.2
54.61052	0.3
56.29887	0.2
59.50817	0.2
71.87575	0.3
85.02932	0.7
90.99883	0.3
91.47764	0.3
101.11971	0.3
103.05467	1.5
121.06445	0.3
131.04007	0.6
131.04932	9.3
135.08008	0.3
137.05983	15.9
151.07533	3.1
163.07532	48.1
167.07034	3.3
169.22920	0.3
171.08022	0.7
172.39134	0.3
175.07507	1.6
177.09100	100.0
181.08522	1.1
193.08553	1.3
195.10165	4.8
203.10612	0.7
209.08110	0.3
211.09630	2.3
221.11717	28.0
226.55605	0.3
264.30707	0.3
275.78128	0.4
299.12781	0.7
334.95218	0.3
345.16974	9.6
360.76230	0.4
507.04123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48254	1.1
55.13047	1.0
56.74390	1.1
69.03411	1.3
72.08116	1.8
74.00604	1.1
78.08933	1.3
85.02897	2.8
91.05479	2.0
91.41621	1.1
93.03381	1.4
103.05489	1.6
105.07034	13.5
107.04970	2.4
109.06514	1.9
118.04171	1.9
119.04980	1.9
121.06512	5.3
122.72352	1.2
131.04938	1.7
133.06503	15.6
135.08046	2.5
137.06001	10.1
138.06255	1.7
140.85213	1.2
146.65521	1.2
149.05992	13.8
150.06754	7.5
151.07504	8.2
153.09129	2.2
161.06044	4.6
163.03876	1.7
165.09120	15.7
167.07030	40.6
175.07564	7.6
176.07855	2.3
177.05450	6.5
177.08153	1.4
179.07088	3.0
181.08536	10.8
193.06819	2.2
193.08611	88.7
209.08089	35.3
211.09651	100.0
211.46126	1.5
223.04187	5.7
277.12338	1.2
312.09042	2.1
366.07639	1.4
387.31079	1.3
412.84619	1.3
423.48462	1.3
541.39099	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	542.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09326	0.4
52.57561	0.4
54.22997	0.4
55.01857	1.0
55.72119	0.5
70.06578	0.7
75.04471	0.6
79.05490	1.2
85.02904	0.5
85.47043	0.5
91.05469	2.2
93.03396	3.3
93.07036	0.9
95.04970	0.7
98.89922	0.5
103.05456	2.1
103.44680	0.5
105.07033	13.5
106.04162	3.0
107.04964	2.8
108.46023	0.5
117.06982	0.7
118.04134	3.3
119.04935	3.4
121.06491	5.4
123.08039	3.3
123.37444	0.6
124.05148	0.5
125.05985	2.7
131.04962	0.8
133.06488	15.9
134.03650	0.8
135.04460	0.9
135.08035	2.6
137.05980	5.5
138.08983	0.5
147.04358	0.6
149.05988	12.8
150.06749	8.7
151.07512	6.6
153.09076	3.3
161.05995	3.6
163.03883	3.1
163.07526	1.1
165.09099	15.2
167.07025	14.3
175.07518	0.8
177.05476	7.3
178.06363	0.9
179.07047	3.2
181.08592	6.2
191.06982	1.2
192.07832	0.8
193.08606	94.8
195.06531	0.5
209.08093	39.4
211.09656	100.0
223.04236	11.5
312.08813	1.1
364.35492	0.6
384.30463	0.5
391.17502	0.8
403.17593	1.0
431.68646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
58.48754	0.3
65.03950	0.4
70.06591	1.6
70.48183	0.4
72.37246	0.4
75.76083	0.4
79.05492	0.8
85.02892	0.5
85.13356	0.4
91.05488	3.2
93.03407	3.0
93.07047	0.5
95.04943	0.5
103.05466	2.2
105.07031	14.5
105.07680	0.8
106.04195	1.7
107.04955	1.8
108.05694	0.5
109.06508	0.6
118.04163	2.6
119.04940	1.9
121.06500	5.3
123.08057	2.1
124.05196	0.9
125.05984	2.8
131.04955	1.9
132.05724	0.5
133.06493	17.7
134.07211	0.6
135.04385	1.8
135.08054	2.0
137.05966	5.8
147.04445	0.6
148.05196	0.6
149.05988	12.8
150.05656	0.8
150.06747	8.3
151.07558	7.1
153.05487	0.8
153.09103	2.6
159.04352	0.5
159.08066	0.6
159.17792	0.5
161.05920	3.4
163.03874	2.6
163.07513	0.6
165.09111	15.0
167.07027	16.4
173.05923	0.7
177.05467	7.3
179.07018	3.8
181.08589	6.6
187.07463	0.5
190.00920	0.6
191.07011	1.9
192.07771	0.6
193.08606	100.0
195.06572	0.6
198.06567	0.5
208.01901	0.6
209.08086	36.7
211.09651	96.9
223.04195	9.0
249.11205	7.5
255.09914	0.5
291.19150	0.5
312.09003	0.8
315.12537	0.5
330.09863	0.5
352.37155	0.5
391.17435	0.6
403.17346	0.7
451.36624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60199	0.4
55.01885	0.6
75.04488	0.5
77.32505	0.4
77.50539	0.5
79.05466	0.8
83.16963	0.5
85.02901	1.2
90.31119	0.5
91.05474	3.0
93.03410	4.0
93.07047	0.9
95.04977	0.6
97.06552	0.6
103.05461	2.6
105.07045	13.5
106.04178	4.4
107.04951	2.4
108.43967	0.5
109.03125	0.5
109.06532	1.0
118.04155	1.2
119.04959	2.4
120.89646	0.5
121.06525	6.7
122.34695	0.5
123.04466	0.6
123.08098	2.0
124.05222	1.0
125.06012	4.3
131.04933	1.3
133.06494	16.0
134.03610	0.6
135.04314	0.7
135.08049	2.6
137.05975	10.1
147.04532	0.7
148.05240	0.8
149.05991	15.2
150.06781	9.5
151.07549	5.4
153.09073	4.4
161.06004	4.1
163.03906	2.6
163.07558	2.7
165.09102	13.9
167.07040	14.1
177.05458	10.2
178.06160	0.8
179.07085	2.9
181.08557	6.8
191.07079	2.0
193.08615	100.0
209.08093	44.9
210.08597	0.7
211.09662	97.7
223.04201	8.9
255.16481	0.6
260.47342	0.7
327.15781	0.9
391.17526	1.1
403.17526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37421	0.3
51.94750	0.3
55.01870	0.7
57.03431	0.3
61.02958	0.3
69.03432	4.2
70.06602	0.5
72.08140	0.3
81.03418	2.1
83.04965	0.4
85.02909	9.8
87.00819	1.8
88.63699	0.3
97.02895	23.6
99.04462	1.7
103.05421	0.5
105.01878	2.0
109.02877	3.5
111.04454	5.5
115.74463	0.3
120.08105	29.7
127.03919	7.0
129.05482	100.0
131.04916	0.6
145.04984	1.8
159.02876	1.3
166.08633	11.6
192.47849	0.3
213.03937	0.4
231.05043	1.3
377.10773	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	541.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37522	0.3
54.06120	0.3
55.30752	0.3
58.06602	0.5
58.21028	0.3
64.93549	0.3
78.57668	0.3
84.08153	3.3
93.49438	0.3
104.45830	0.4
110.09676	0.5
112.11235	2.7
113.11567	0.6
119.08586	0.4
129.13853	1.4
144.08090	26.8
145.08838	0.8
152.58821	0.3
158.09650	1.8
160.03923	1.8
170.09641	100.0
171.10420	27.2
187.12311	0.8
201.13889	4.2
202.14655	17.8
209.07982	0.4
211.18097	0.5
218.09343	0.4
274.40497	0.4
462.86682	0.4
541.27405	7.4
541.35303	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67263	0.3
54.71378	0.3
58.06599	1.1
59.42986	0.3
92.17796	0.4
134.42719	0.3
135.66508	0.3
144.08093	26.6
145.08881	0.5
151.98109	0.3
155.78424	0.3
158.09653	1.7
169.54636	0.3
170.09644	100.0
171.10417	25.1
187.12308	0.5
201.13850	5.0
202.14656	16.7
240.47786	0.3
476.56955	0.3
519.62506	0.3
541.35382	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.8
70.06577	0.6
70.19183	0.3
107.04945	1.6
144.08090	25.2
158.09653	2.4
170.09650	100.0
171.10432	26.9
186.11467	0.4
187.12296	0.4
193.66190	0.4
201.13846	5.6
202.14653	17.4
269.20328	0.8
270.38638	0.4
286.98676	0.4
541.35419	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33142	0.3
56.02865	0.3
58.06590	1.5
59.31179	0.4
60.71397	0.4
75.60964	0.3
82.76454	0.4
93.60663	0.4
104.01606	0.4
142.64243	0.5
144.08096	27.0
145.08890	0.8
158.09668	2.3
170.09648	100.0
171.10426	24.6
171.11893	0.9
187.12366	0.7
201.13860	6.0
202.14656	18.9
247.03214	0.4
356.43286	0.4
541.35406	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	0.8
59.82976	0.4
61.91211	0.4
70.01240	0.4
76.95374	0.4
113.34888	0.5
144.08110	25.5
145.08813	0.7
158.09639	2.0
170.09650	100.0
171.10432	27.0
187.12367	0.9
201.13872	5.9
202.14661	18.7
205.31616	0.5
211.02373	0.4
232.66064	0.4
269.20154	0.4
350.72772	0.4
356.81787	0.4
395.76660	0.5
428.21783	0.5
541.35400	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	541.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85805	0.4
57.16817	0.4
58.06598	0.4
63.09874	0.4
63.67014	0.4
70.06591	5.6
84.08153	4.2
110.47413	0.4
120.08099	0.9
129.10243	0.9
129.98985	0.4
130.06503	0.4
136.07574	0.6
144.08099	26.3
145.08916	0.7
158.09662	2.6
160.43581	0.4
170.09653	100.0
171.10426	27.2
186.11485	0.6
187.12291	0.4
201.13890	5.8
202.14655	18.6
235.62732	0.5
269.20032	0.7
299.82626	0.4
472.68146	0.4
541.35406	79.6
553.88824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3029
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
54.08208	0.1
54.53630	0.1
55.05508	0.6
58.06604	0.2
58.88745	0.1
64.24730	0.1
66.88066	0.1
70.06585	0.7
73.79389	0.1
81.91550	0.1
82.63962	0.1
84.08154	0.3
85.08930	2.8
89.37711	0.2
90.09106	0.1
91.66210	0.1
92.17892	0.3
95.08580	0.2
100.11260	100.0
105.07069	0.1
117.70963	0.1
127.03951	0.1
133.10112	0.2
144.99150	0.2
170.09631	0.2
186.14063	0.1
212.37668	0.1
273.15976	0.2
383.19775	0.2
386.24509	0.9
403.27051	5.5
411.19110	0.9
524.27203	0.3
541.22351	1.9
541.30206	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	541.3131
Annotation	5-Ketomilbemycin A4
Peak:m/z	Relative Intensity
50.64865	1.0
57.46395	0.9
67.05522	11.0
70.06606	4.2
72.04507	2.1
72.08160	10.6
73.02911	4.8
75.53145	1.2
76.55874	1.2
81.07069	1.8
84.08163	2.2
86.09681	1.6
93.07054	2.9
95.04959	1.9
98.06039	1.5
109.10165	16.4
113.10781	13.0
114.09174	50.4
115.08708	2.9
119.08631	2.4
121.10157	1.8
127.08737	1.2
131.11819	11.8
135.08038	1.6
137.09639	2.7
144.08092	1.7
147.08058	2.9
156.11348	10.6
159.09134	2.5
163.91414	1.3
167.13750	1.4
170.09666	1.4
173.13992	16.1
188.07138	2.1
195.06572	5.2
211.58365	1.3
236.16508	1.3
264.57629	1.3
309.07593	2.0
313.21439	1.5
355.23349	9.9
500.30234	1.4
500.54379	1.2
541.24823	13.1
541.31598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3024
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
55.05511	0.9
57.07066	0.2
69.03440	3.1
69.07050	0.2
70.06593	1.0
72.79936	0.2
79.18476	0.2
81.07084	0.3
83.04996	2.3
84.08151	0.3
85.02917	0.3
85.08944	3.1
86.09712	8.4
91.05488	0.4
95.08633	0.4
100.11263	100.0
102.09193	1.5
103.05397	0.3
116.10776	0.5
118.06586	0.4
120.08114	5.1
129.10223	1.5
131.11810	1.4
141.10240	1.5
144.10207	23.7
146.06012	2.1
157.09732	0.3
160.07565	0.4
174.12776	0.5
181.91843	0.3
183.08092	0.4
188.10707	4.6
200.10687	0.3
202.12122	0.3
211.07553	3.5
214.08664	3.6
219.14975	0.4
225.16054	1.1
228.10066	0.3
229.10907	0.4
263.17480	0.4
271.17868	0.3
293.21124	0.4
299.17535	1.0
327.17004	0.4
335.14987	0.3
344.19760	1.2
356.19855	0.3
411.19138	0.5
419.26663	1.0
480.24945	0.5
494.57794	0.3
497.20966	0.3
521.59656	0.3
541.21582	3.7
541.30151	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	541.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
61.66741	0.7
67.05502	3.8
69.03424	0.6
69.74844	0.7
70.06587	1.5
72.08150	3.7
75.75136	0.7
76.20377	0.6
79.05498	1.5
81.07067	1.2
84.08149	1.6
91.05524	0.8
92.17770	1.5
93.07047	5.1
95.08607	4.1
101.06016	2.6
101.92187	0.6
102.76544	0.6
103.34290	0.7
107.08578	6.1
109.06556	0.9
109.10172	11.2
110.09680	2.7
111.04472	4.8
112.57233	0.7
114.10291	1.0
117.07008	1.5
121.06483	0.8
123.04426	0.9
123.08057	2.6
124.11232	2.7
127.03943	0.8
128.07045	1.5
129.05518	1.1
134.09683	5.8
135.08047	13.9
137.05968	3.2
138.06271	0.8
144.73892	0.6
145.02881	0.8
151.01849	0.6
152.10707	100.0
153.09044	2.1
163.03882	11.2
170.11760	76.9
192.06586	1.4
216.13992	0.8
218.15472	0.7
220.09729	9.5
234.14832	0.9
240.70876	0.7
242.54269	0.7
244.13435	1.1
262.14487	1.5
280.15457	4.3
289.05191	0.9
289.98438	1.0
298.16565	16.8
303.54254	0.8
305.15042	0.9
308.15063	1.2
326.15997	19.3
477.25870	3.4
495.27042	19.0
505.25284	3.4
523.26453	32.2
523.33984	1.5
532.26172	1.3
541.27509	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	541.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19971	0.6
60.05674	0.8
70.06597	3.8
72.08170	7.0
80.44754	0.8
81.86217	0.6
86.07201	6.1
87.07992	0.9
89.10794	1.1
97.07689	0.8
112.08736	2.8
114.10296	38.7
115.08694	12.7
118.19570	0.7
131.12950	4.7
134.03627	1.2
139.96297	0.8
144.08086	16.3
158.09669	0.8
161.52901	0.7
162.03093	2.9
163.02516	1.5
163.03902	53.3
170.09647	56.5
171.10445	15.2
175.19044	0.8
201.13892	2.9
202.14630	9.8
207.10193	4.8
215.12852	2.9
232.12117	6.2
233.10458	9.2
233.12865	8.9
234.11272	10.5
274.11682	0.9
275.12625	10.5
276.13443	17.4
276.30682	0.7
291.14554	5.7
292.15289	41.2
293.16071	74.7
394.60318	0.7
428.20798	0.9
492.54999	0.7
504.70804	0.8
541.26544	100.0
541.35358	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05479	0.3
50.55794	0.2
51.27851	0.3
53.47533	0.3
58.06585	1.9
64.54139	0.3
70.06605	2.4
72.07809	0.5
72.08163	8.5
75.09264	0.3
75.48515	0.3
77.11833	0.3
84.08152	4.6
89.03915	0.6
90.75439	0.4
94.96166	0.4
98.09691	1.5
101.10764	0.5
112.11240	6.5
113.07070	0.4
129.13869	3.2
135.04422	2.4
145.02844	3.5
149.05960	0.5
150.06334	0.4
155.11809	2.6
162.05515	1.6
163.03902	80.9
178.08586	0.4
192.06544	13.2
194.61047	0.3
206.08051	0.6
209.08162	0.5
219.11275	1.2
220.09689	89.0
223.04167	0.4
227.56267	0.3
234.07651	4.0
245.03322	0.4
275.13861	0.6
291.13409	1.5
291.16794	0.3
305.14948	12.9
322.17523	2.3
332.19727	1.5
334.17627	0.8
346.13150	0.4
362.20749	7.7
376.94052	0.3
379.23373	12.7
465.72568	0.4
517.99396	0.4
523.25281	1.7
541.26599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55839	0.5
58.06606	1.0
70.06594	3.3
72.08163	13.7
72.61319	0.5
73.52051	0.5
84.08156	4.0
85.94659	0.6
87.47119	0.5
101.07706	0.6
109.96301	0.6
110.09669	2.8
112.11240	9.9
113.07123	0.6
114.09203	3.2
117.03387	1.2
118.36858	0.6
129.13892	2.9
135.04465	1.3
145.02843	3.2
155.11835	2.3
161.68306	0.6
162.05505	0.8
163.03905	78.4
192.06558	19.3
197.27132	0.6
220.09689	85.9
222.11340	0.8
234.07657	5.6
245.69331	0.6
274.36542	0.5
291.13428	4.7
305.14954	12.1
330.18192	5.0
362.20914	3.1
379.23367	9.8
381.63550	0.7
523.25391	1.2
540.76172	1.0
541.26709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	36.7
63.67501	1.8
69.07062	2.6
71.08636	36.6
73.06557	3.7
83.08612	2.0
85.10191	17.7
87.04463	2.8
89.06034	100.0
97.10210	2.4
117.09129	2.8
129.33543	2.1
133.08612	28.1
154.83742	2.3
169.91315	2.1
177.11206	4.2
283.17676	2.7
285.27942	3.6
327.20197	21.2
523.42065	80.0
540.44470	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	540.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88438	0.2
52.90876	0.2
53.10886	0.2
55.05518	0.5
70.06593	1.0
85.08929	3.2
88.38898	0.2
92.16296	0.2
97.02800	0.2
100.11264	100.0
109.02982	0.2
109.90802	0.2
176.96970	0.2
193.62578	0.2
292.98071	0.3
331.03668	0.3
395.19513	0.5
418.27032	3.8
420.23886	0.2
436.96457	0.2
540.30731	13.7
540.38965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06882	1.3
57.07087	22.7
61.20041	1.4
61.41424	1.7
71.08636	23.2
73.06535	2.1
80.29471	1.7
85.10180	13.6
87.04460	3.0
89.06033	100.0
112.37222	1.8
130.41446	2.0
133.08600	30.1
177.11215	10.5
197.22655	2.3
223.04074	1.7
239.15010	2.0
282.94003	1.8
283.17639	3.2
327.20135	49.2
342.59903	1.8
368.74258	1.9
472.22705	2.2
523.42120	41.8
540.44733	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	540.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92724	0.3
54.19065	0.3
55.01864	0.4
56.98889	0.4
61.02909	0.3
61.26344	0.4
63.05735	0.3
69.00955	0.4
69.03425	0.7
69.07053	0.4
70.06586	2.4
72.08154	1.7
77.54163	0.4
85.02915	3.5
85.06537	0.5
91.05482	0.6
92.17874	0.6
93.07052	0.9
95.04966	0.4
95.08594	0.9
97.02901	0.8
100.11268	7.3
101.11597	1.9
103.05464	1.7
103.57308	0.4
105.07069	0.4
107.05048	0.5
107.08553	0.6
109.02848	0.5
109.10157	0.5
117.06989	0.7
119.04912	0.7
121.10111	0.7
126.54518	0.4
127.03901	0.6
131.04936	12.5
131.08600	0.4
133.06496	0.6
134.99684	0.4
135.08070	0.8
135.11693	0.6
137.05988	21.4
143.08571	0.7
149.05966	2.1
149.09555	0.4
151.07542	19.1
157.06503	1.7
161.05966	2.7
163.07538	45.0
165.09096	0.9
167.06996	0.6
175.07549	3.4
177.09108	100.0
189.09113	6.7
193.08505	0.5
195.10242	3.0
207.10107	0.6
219.10196	0.5
221.06018	0.5
221.11728	25.1
223.07443	0.9
227.10623	5.1
249.09166	0.6
253.08583	0.9
253.12180	2.3
255.10164	5.9
265.08621	0.7
267.10159	0.6
269.94226	0.5
281.11832	0.7
285.11261	3.1
287.12778	4.9
299.12888	1.9
311.12781	2.1
313.14340	2.6
331.15384	30.9
343.15466	3.0
345.17007	2.5
530.36176	0.5
540.20551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36166	0.4
52.59642	0.4
53.40017	0.4
53.82826	0.4
85.02902	0.9
91.05448	1.1
103.05474	2.0
107.04996	0.5
119.08582	4.1
122.03632	0.8
129.07018	0.7
131.04924	12.0
132.05713	1.8
133.06458	0.8
137.05988	53.7
147.08076	6.2
152.84087	0.5
160.05202	0.9
163.07542	30.2
169.06480	0.8
174.75729	0.5
175.07547	100.0
186.06725	0.7
187.07567	1.8
193.08589	5.5
201.09166	1.7
261.09589	0.5
266.10434	0.5
271.43195	0.4
276.89453	0.6
325.14368	15.0
331.61145	0.5
343.15353	8.5
459.46838	0.5
540.73969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90499	0.4
57.53187	0.4
58.88060	0.4
69.03417	0.8
85.02908	3.7
91.05466	2.5
93.07064	0.5
95.04948	2.3
97.02921	1.6
97.12357	0.4
103.70846	0.4
104.66648	0.5
106.04118	0.6
107.08586	0.7
109.06534	0.7
111.04374	0.5
119.04946	2.5
121.06498	1.9
125.05984	0.6
127.03913	0.8
129.07001	2.1
131.04909	1.9
135.08064	15.8
137.05981	26.8
143.04950	0.7
147.08051	0.6
149.05984	9.2
149.53839	0.4
151.07545	52.0
157.06499	4.0
161.05960	3.4
161.09605	0.6
163.03877	0.8
163.07535	20.4
165.09067	3.1
170.09758	0.5
174.06696	1.8
175.07527	4.2
177.05458	0.9
177.09155	3.2
181.08569	3.1
189.09111	23.6
195.08025	2.8
207.10147	2.1
209.08083	2.6
209.09749	0.9
219.10158	5.1
221.05972	0.9
221.09599	2.2
223.07512	4.1
225.09151	1.8
227.10646	16.1
227.60501	0.5
235.09647	0.7
237.09377	0.7
240.07903	0.6
249.09180	3.2
251.10680	0.5
253.08585	5.2
253.12260	8.9
255.10158	19.5
267.10110	2.2
269.11758	0.9
281.11832	3.5
284.10556	0.8
285.11188	13.2
287.12769	25.2
299.12845	1.7
313.14313	10.6
325.51328	0.5
331.15399	100.0
343.14188	3.0
361.16022	0.5
447.29510	0.4
505.57199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42134	1.0
56.66118	1.1
58.55558	1.3
61.36940	1.3
67.05510	15.4
69.03407	2.2
70.06606	4.8
72.08135	1.9
75.22890	1.3
79.05479	4.9
81.03432	6.2
81.07059	2.5
84.04516	1.7
85.02902	8.7
88.11271	5.6
89.10770	1.4
93.07043	5.6
95.04929	2.2
95.08607	2.2
96.05885	1.5
97.02897	5.6
107.08618	9.9
109.02898	2.5
109.10167	20.8
110.06032	1.7
110.09681	5.5
116.07092	1.8
117.06982	1.5
124.04005	9.7
124.11234	8.3
125.04723	5.5
126.05502	1.5
127.03932	3.2
128.07039	2.2
134.09663	9.3
135.08043	21.6
148.72853	1.3
151.11147	3.2
152.10710	100.0
153.09134	2.8
154.12300	1.5
164.10713	3.2
166.12283	2.8
170.11768	82.1
176.10754	2.3
180.10216	1.7
189.85452	1.5
190.14375	2.6
194.11748	14.6
198.11238	16.1
212.12846	16.0
215.07059	1.5
216.12309	15.2
232.13382	2.5
240.12325	7.3
240.22420	1.3
242.89856	1.4
248.12837	2.6
258.13428	1.4
260.00449	1.3
260.12808	13.9
278.13876	11.3
296.14792	2.9
306.13431	14.5
314.15997	3.2
324.14554	16.9
342.15652	10.6
360.16556	67.9
378.17535	43.7
480.89835	1.5
504.21115	2.2
522.21820	3.0
540.23004	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	540.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
56.84598	0.7
57.03442	1.5
59.53034	0.7
59.92307	0.8
61.02927	5.0
63.00028	0.8
69.03436	10.9
71.04984	1.5
77.69501	0.8
81.03419	5.9
84.04486	1.0
84.08157	1.0
85.02910	67.3
86.00665	1.2
87.04467	1.0
89.92532	0.8
91.03944	3.8
95.04979	8.9
97.02895	25.9
99.04459	3.6
109.02876	8.1
110.75848	1.0
111.23418	0.9
114.93639	0.8
120.08101	12.1
123.04427	16.3
126.05505	1.2
127.03930	18.7
132.01172	1.2
140.04686	62.8
144.06572	1.4
145.04968	25.7
155.07030	61.9
156.53661	0.8
162.07567	0.9
163.06033	9.8
166.08707	3.2
167.03413	1.7
168.09889	0.8
173.08150	0.9
175.42171	0.8
181.04941	16.7
199.06024	100.0
222.12109	0.8
234.31789	0.9
239.86188	0.9
256.67365	0.9
276.37366	1.0
292.73727	0.9
324.13208	1.2
325.11276	3.7
337.40097	1.0
343.10257	1.2
361.11377	4.5
366.95035	1.0
387.20151	0.9
488.52542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94231	0.3
57.03448	0.9
61.02938	3.3
69.03446	4.9
70.06594	2.0
71.01360	0.5
72.08155	0.7
73.02940	1.0
79.05508	1.7
80.78083	0.4
81.03419	1.0
81.07090	0.6
84.08145	0.5
85.02914	45.6
86.09731	0.5
87.04463	0.5
91.03951	3.1
91.05511	4.9
93.07054	100.0
95.01353	2.7
95.04980	3.0
97.02895	12.6
99.00834	0.6
99.04477	0.8
103.03974	2.3
105.04538	0.6
105.07033	0.9
106.07993	0.5
107.08617	1.9
109.02898	4.3
113.02391	0.8
114.10290	0.6
115.03961	0.9
121.10149	51.4
127.03925	12.7
141.01837	36.5
145.04982	22.1
145.06129	0.8
149.09630	31.1
159.02919	5.3
163.03906	1.8
163.06013	12.5
163.07364	0.7
167.10683	33.5
177.03960	0.7
187.07568	0.5
189.09241	0.8
198.44905	0.5
201.75366	0.4
210.64061	0.4
219.10175	6.4
285.06042	0.6
303.07233	1.8
321.08203	14.9
339.09195	7.9
361.96497	0.5
374.13248	0.5
383.15054	0.9
401.16116	0.9
474.90570	0.6
540.20856	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	540.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28255	2.4
55.01874	9.9
56.66006	2.4
59.75304	2.3
67.83105	3.0
69.03400	3.2
70.06589	16.0
70.06956	2.7
72.08157	22.1
79.26221	2.5
84.08143	5.2
85.02886	6.3
86.09689	3.8
99.00703	3.1
103.05487	3.9
105.07047	6.0
107.04932	13.1
109.02903	4.2
114.10293	5.0
120.08083	3.2
122.09701	3.8
123.08057	23.7
131.04906	14.3
133.06500	6.4
135.04410	3.4
137.05986	4.3
147.04362	5.7
148.05174	3.2
149.05994	12.1
153.05473	4.5
159.04457	3.2
161.05966	14.9
163.03900	33.0
163.07614	2.9
167.07089	33.7
168.52554	2.9
173.05992	4.2
177.05464	32.0
179.07051	5.6
180.02843	3.3
180.45407	2.8
185.02585	3.0
187.07591	4.0
191.07031	100.0
192.04066	3.1
193.08653	6.5
209.08086	33.0
211.09760	3.1
217.08556	15.2
219.10172	4.0
222.84842	2.7
229.08682	3.5
241.05238	3.4
247.76311	2.7
263.10693	3.2
279.10172	5.8
291.10165	4.3
312.09015	4.8
315.08615	21.0
323.12973	4.0
330.10892	44.1
336.09561	3.6
337.10834	4.9
339.12161	4.3
343.11716	3.0
351.12097	5.6
353.10547	5.7
368.12799	5.6
369.13266	5.3
371.14825	3.4
383.14874	82.6
401.15979	75.9
460.41238	3.3
540.16602	12.5
540.24512	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18894	0.4
53.14710	0.3
55.01875	0.6
59.05006	0.5
59.59575	0.4
65.03938	1.0
69.03422	0.4
70.06588	1.7
72.08146	1.7
74.23301	0.4
75.04494	3.4
76.43887	0.4
77.03931	0.5
78.04697	0.4
79.05462	0.6
84.08136	2.1
85.02900	2.8
85.08474	0.7
89.06045	0.8
91.05489	6.0
93.03411	16.1
93.07052	5.4
95.04989	3.5
97.06554	1.0
103.05499	3.4
105.07031	0.9
106.03467	0.7
106.04182	19.5
107.04960	2.1
108.02215	0.4
114.10294	0.5
117.03362	0.9
119.04955	0.7
119.44466	0.4
121.06512	31.1
123.04424	1.1
124.05223	0.7
125.05984	12.3
130.80287	0.4
131.04922	1.1
131.06026	0.5
133.06517	0.9
134.03635	2.8
135.04352	0.8
135.08119	3.4
137.05978	1.9
139.07561	2.7
145.02840	1.9
146.10269	0.4
147.04393	0.6
148.05176	2.0
149.05992	64.7
151.07552	3.2
153.05466	0.8
153.09105	15.2
159.04390	0.5
161.06003	2.0
163.03929	3.4
163.07555	4.7
166.06230	1.1
167.07042	5.9
175.07547	0.9
177.05478	31.7
179.07054	0.5
181.08604	22.7
191.07002	5.3
192.07755	0.6
193.08636	2.7
195.06506	0.5
209.08101	100.0
218.08176	2.2
218.94405	0.4
223.04234	7.5
270.47229	0.4
286.05746	0.4
312.08713	1.5
316.02945	0.5
387.14514	0.5
401.15729	0.9
507.27118	0.5
540.21741	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	539.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
57.03444	2.1
57.07071	0.4
58.89251	0.3
67.05505	0.4
69.03419	0.4
69.07059	0.4
71.08602	0.3
80.56775	0.2
81.07043	0.6
85.10207	0.3
85.73332	0.3
87.02821	0.2
89.03911	1.5
89.09553	0.3
95.08609	1.7
97.10156	0.3
109.02887	0.7
109.10177	0.4
117.03387	5.1
117.05493	6.3
145.02855	49.8
149.05986	2.7
161.14809	0.3
177.05475	100.0
186.05502	0.7
251.09303	2.2
267.42239	0.3
293.10184	0.5
327.25339	3.0
405.26294	3.1
474.64233	0.3
503.29855	4.3
521.31085	5.2
539.29144	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	540.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37152	0.3
53.72964	0.3
55.01885	1.4
65.03944	1.6
70.50985	0.3
72.83998	0.3
75.04488	3.4
77.37668	0.3
78.04703	0.6
78.41842	0.3
79.05477	0.6
85.02917	2.3
89.39930	0.3
91.05484	6.1
93.03413	14.8
93.07044	4.5
95.04964	3.3
95.43031	0.3
96.76266	0.4
97.06533	1.5
97.18428	0.4
103.05481	3.4
105.04533	0.3
105.07042	1.4
106.04182	18.2
107.04971	1.6
109.06523	0.4
117.03361	0.6
121.06505	29.4
123.04422	0.5
125.05986	11.9
131.04919	1.6
133.06487	1.6
134.03641	3.5
135.04358	0.5
135.08121	0.4
136.11313	0.4
137.05997	1.4
138.06754	0.5
139.07515	2.4
145.02844	1.9
148.05170	0.8
149.05986	71.3
151.07561	3.3
153.05443	2.0
153.09114	18.6
159.04381	0.6
159.08064	0.4
163.03920	0.8
163.07536	2.1
165.05524	0.4
166.06233	0.8
167.06998	2.7
177.05479	28.4
180.07758	0.3
181.06984	0.8
181.08595	23.3
189.09106	1.9
191.07054	3.2
193.08647	0.5
195.06517	0.4
201.09076	0.6
209.08092	100.0
219.10167	6.4
223.04259	8.9
261.79428	0.3
312.08786	1.4
369.13339	0.5
387.14133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84068	0.2
55.05526	0.3
57.03446	1.2
57.17459	0.2
67.05516	0.6
69.07080	0.4
71.20206	0.2
76.57826	0.3
81.07059	1.3
81.65658	0.3
89.03905	0.6
95.08624	1.3
97.10156	0.3
103.80714	0.3
109.10166	1.1
117.03374	7.3
117.05486	5.2
145.02859	51.1
149.05959	2.9
163.03877	0.4
177.05475	100.0
186.05473	0.6
244.36885	0.3
251.07376	0.2
251.09181	3.4
265.87973	0.3
276.48904	0.3
293.10306	1.9
312.19659	0.3
327.25327	9.6
405.26346	3.2
503.30118	3.7
521.31134	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	539.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06423	0.5
60.07419	0.6
64.11835	0.7
81.84892	0.6
99.25964	0.6
104.10729	0.8
184.07277	1.0
184.61626	0.7
253.07501	2.8
289.42255	0.7
322.24084	0.7
409.19434	0.8
484.82291	0.7
496.62622	0.9
539.31915	100.0
556.28351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3193
Annotation	Dysinosin D
Peak:m/z	Relative Intensity
66.72746	0.7
76.58930	0.7
79.65271	0.8
80.37341	0.7
89.91721	0.7
92.18377	0.9
184.07388	1.8
253.94841	0.9
539.31927	100.0
548.57092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22673	1.6
63.29973	1.7
70.06620	2.2
72.08132	2.1
88.03386	1.6
131.04947	10.6
137.05981	100.0
144.76598	1.8
151.07541	3.2
153.97775	1.8
160.05077	1.9
163.07515	21.7
175.07603	10.5
183.11768	1.6
187.07484	3.1
205.08513	2.3
227.68233	2.0
255.10205	7.0
264.07928	2.3
283.09616	34.8
295.09705	21.9
313.10626	3.3
371.15234	12.7
432.15588	6.8
450.16705	3.9
485.19061	5.7
503.20474	18.5
521.21558	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	539.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.9
53.60835	1.7
55.85138	1.8
60.77894	1.7
67.05496	9.4
69.03436	24.0
69.07068	2.3
70.06595	20.0
72.08154	10.0
73.02926	2.1
77.13634	1.7
81.03430	19.1
84.04487	3.1
84.08145	4.9
85.02903	23.6
86.09689	2.5
87.00816	13.6
92.18439	3.7
92.65092	1.9
93.07048	4.0
95.04958	8.5
97.02885	3.2
99.04456	2.9
105.01850	4.2
105.07031	3.0
107.08580	2.4
109.02889	17.6
109.10249	2.6
110.05354	2.5
110.06049	39.5
110.64043	2.3
122.05995	8.5
127.03906	23.0
136.07481	2.7
138.05513	3.0
143.08536	10.1
145.04869	2.9
154.08598	10.3
157.10135	3.5
159.02841	3.8
160.07539	7.5
161.07121	45.7
162.05482	4.5
163.03885	8.9
184.11186	2.3
185.13255	13.2
200.10713	12.7
201.09088	2.5
203.05092	2.8
212.10822	4.4
223.93260	2.3
227.08241	3.0
227.11809	9.2
228.06567	8.7
228.10268	16.3
236.86398	2.1
245.06299	13.5
245.08580	2.3
246.11253	15.6
255.11311	28.6
256.09695	87.8
257.12878	3.7
258.11221	13.8
273.12308	24.9
274.10770	42.0
289.05341	37.8
464.23486	2.2
521.17767	47.2
522.16138	85.8
539.20807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11370	0.3
65.03937	0.4
86.82013	0.4
92.17800	0.4
93.07039	0.4
95.04977	0.6
103.05473	18.8
104.06252	0.4
107.04962	13.1
119.12121	0.4
131.04932	66.3
133.06520	0.7
135.08081	0.6
136.50745	0.4
137.05988	14.0
141.05464	0.4
144.08067	0.6
149.05940	1.5
160.07430	0.5
163.07538	100.0
164.08327	13.9
167.07028	5.2
169.04945	0.5
170.09698	0.7
181.04953	0.7
186.09085	0.6
193.04959	2.1
197.04434	3.4
211.06041	0.7
218.14372	0.5
231.10611	0.4
317.89197	0.4
341.12259	0.6
343.11743	2.5
361.12796	0.7
386.60251	0.4
389.63248	0.5
444.64963	0.4
539.26233	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	539.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38922	1.4
58.49138	1.4
69.29880	1.3
101.00876	1.8
108.60268	1.6
111.68367	1.5
119.01928	7.6
126.90005	1.5
127.12656	1.5
129.89989	1.5
143.01917	59.0
145.03450	11.1
155.01895	22.6
161.02960	28.2
163.03838	14.2
167.01901	29.9
169.03500	3.1
173.02963	14.4
179.01834	2.3
185.02954	49.5
187.04605	3.1
195.04979	5.6
197.03032	6.7
199.27049	1.7
203.02162	3.4
203.04068	10.4
221.03027	14.1
221.04895	1.9
225.36586	1.7
227.04008	45.1
239.04047	14.9
245.02702	3.3
245.05057	57.6
255.07678	6.7
256.08005	7.3
257.05045	38.4
259.04523	3.0
263.06113	8.4
274.08942	6.9
275.06107	46.0
287.06216	3.3
291.09705	2.1
292.10046	2.3
305.07138	6.9
317.07217	18.5
326.78879	2.0
335.07947	2.2
365.06949	19.3
377.09167	6.1
383.10605	12.8
474.46417	1.7
539.14441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26686	3.8
55.82955	3.4
58.06622	9.6
60.08171	4.9
77.59483	4.3
83.02865	4.2
122.88781	5.4
144.10262	7.9
194.78979	4.7
196.95686	4.5
236.14967	100.0
344.37036	4.3
386.97449	4.8
438.28525	29.2
520.36450	5.1
538.37231	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39807	2.6
58.06600	7.4
59.07391	4.4
60.08157	6.3
67.05500	4.3
68.50139	2.8
73.26001	2.7
82.53178	3.2
95.08677	3.6
128.64925	2.9
144.10182	5.9
229.98386	3.3
236.14917	100.0
241.28220	3.6
346.25351	3.3
438.28528	6.8
466.51743	3.4
538.37476	76.2
563.99231	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	539.098
Annotation	Amentoflavone
Peak:m/z	Relative Intensity
69.22826	1.4
121.02824	2.1
141.91246	1.5
146.27928	1.5
153.83952	1.5
163.03870	1.8
170.09686	2.0
198.06175	1.6
307.05905	2.0
335.05646	9.4
377.06540	18.5
387.08701	3.5
403.04489	14.9
421.05396	2.3
497.08725	6.3
539.09747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35774	0.8
57.03435	3.8
58.06607	16.5
58.08196	0.7
59.07373	3.7
60.08174	6.8
60.40105	0.8
67.05486	2.0
75.04488	1.4
79.05469	1.1
81.07029	1.4
85.02913	1.3
87.04432	2.0
87.27995	1.1
89.96311	0.9
91.05473	2.1
93.05495	0.8
93.07033	1.5
95.08577	1.1
113.38652	0.9
121.81203	1.0
131.07005	1.0
131.08521	1.7
144.10226	10.5
162.11310	1.2
236.14922	100.0
438.28488	22.8
485.91772	1.0
502.22827	1.0
520.36383	5.4
538.37396	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	538.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	2.7
60.08183	0.6
67.06838	0.5
67.30615	0.6
69.03430	2.9
69.07066	3.8
70.06569	3.0
72.08172	2.7
81.07051	0.9
84.08148	4.8
85.08928	1.6
86.06071	7.6
86.06519	0.8
86.09710	4.9
95.04984	1.1
97.06542	4.5
114.09177	2.8
114.12810	100.0
121.02851	0.8
123.04442	1.5
126.05569	1.2
130.12308	1.0
132.10233	0.9
154.40819	0.7
158.11771	18.5
161.02299	1.3
163.03879	8.2
164.07088	0.9
180.10219	0.9
205.08690	3.4
222.11351	4.1
232.09740	1.4
312.22079	0.8
433.17490	0.8
538.14990	0.8
538.31348	40.3
543.44537	0.7
549.14606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.0
57.07071	5.7
60.08155	2.4
66.75126	1.3
67.05501	6.9
67.90750	1.3
69.03427	9.9
69.07075	14.0
70.06581	2.5
71.04994	9.5
71.93830	1.3
72.07613	1.4
72.08133	6.6
73.27206	1.7
79.05489	1.9
81.03432	6.5
81.07066	29.6
82.45905	1.5
83.08612	11.0
85.02913	20.6
85.06540	27.9
86.09726	1.6
87.00841	3.6
93.07048	19.1
95.04961	2.4
95.08611	40.7
97.02892	7.4
97.06555	2.9
97.10204	2.9
99.04453	23.1
100.11250	2.1
105.01868	8.0
105.07029	6.9
106.33936	1.6
107.08597	23.0
109.02921	11.2
109.10161	28.6
111.08096	1.8
111.11736	2.1
114.09164	6.9
114.12801	4.0
115.07591	4.0
119.08581	9.7
121.10149	28.2
123.10858	3.4
123.11703	50.0
125.13227	2.3
127.03933	13.4
127.07534	2.4
127.11196	2.2
129.12219	1.8
133.10152	9.1
135.08023	2.3
135.11694	50.2
136.06203	2.1
139.07547	2.3
141.12747	100.0
144.08073	2.9
145.04895	2.2
145.10100	3.6
145.12119	1.8
149.09589	1.8
151.14760	2.8
153.09018	1.8
153.12746	14.7
159.02881	3.2
159.11720	3.1
159.13887	2.8
161.13292	10.7
163.11191	3.0
167.07018	11.7
171.13808	49.8
171.15262	2.3
174.96948	3.3
175.14851	6.4
177.09253	1.5
177.16385	34.0
179.14359	1.6
181.12172	6.7
201.16348	10.2
211.16830	1.8
219.17444	18.1
237.18524	37.1
243.17159	2.4
243.92723	1.7
244.17816	2.1
255.19536	91.9
255.99985	1.6
273.20602	36.5
290.18225	3.0
291.10086	1.7
315.08701	2.1
323.12500	1.6
330.11200	3.7
354.19818	1.6
363.12784	3.1
383.14719	9.4
419.19049	9.7
443.16968	3.8
491.92941	1.9
503.25180	1.7
521.25873	2.1
538.34473	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	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44282	1.5
55.01887	2.2
55.05513	3.7
57.07084	3.8
62.84267	1.5
67.05489	2.8
68.01817	1.6
69.03423	8.9
69.07059	8.2
70.70338	1.4
71.04989	7.5
79.05482	2.8
81.03433	2.7
81.07062	77.9
81.07545	2.8
83.08633	3.0
84.04510	1.6
85.02907	27.6
85.06547	1.9
87.00819	7.7
91.96741	1.8
93.07025	9.3
95.05000	2.0
95.08613	33.6
97.02898	9.8
97.06537	23.4
97.10160	3.5
99.04509	3.9
100.11249	3.1
105.01882	12.3
105.07018	3.8
107.08599	12.9
108.41928	1.5
109.02866	11.6
109.09467	2.1
109.10157	21.3
111.08082	8.9
113.06006	19.2
114.09181	2.3
119.08594	2.5
121.06548	1.6
121.10140	18.4
123.08053	7.0
123.11717	7.8
125.06018	3.2
125.09637	2.2
127.03916	16.8
127.07565	2.5
127.11233	2.3
129.01884	2.1
131.08603	2.6
133.10123	2.9
135.08069	2.3
135.11719	31.1
137.09637	6.1
137.12218	2.8
137.13263	73.5
137.14293	3.1
139.11130	2.8
141.09088	3.6
145.04939	2.2
145.10124	6.2
149.09631	3.1
149.13310	1.7
151.11177	2.1
153.09145	3.1
155.10660	3.6
159.02904	3.6
159.11691	13.9
163.11168	12.2
165.12782	2.4
167.10684	8.6
169.12262	4.0
171.01982	1.7
173.13213	3.2
175.14799	8.0
177.12749	2.4
177.16423	6.4
179.14281	2.6
181.12206	24.7
191.18030	7.4
201.16409	15.8
209.19044	2.4
219.17442	95.1
219.19594	3.2
235.16757	2.4
237.18492	100.0
255.19531	99.6
273.20612	71.2
383.15244	1.8
485.23923	1.8
503.25012	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.2
58.31044	0.4
61.40297	0.3
63.46678	0.3
68.49017	0.2
69.07069	3.5
81.03401	0.3
86.09711	100.0
132.10211	68.6
134.81787	0.3
141.40770	0.3
149.06044	0.6
163.03879	0.4
167.07025	2.6
177.05460	1.7
196.41162	0.3
209.08215	0.3
213.06520	0.4
227.09309	2.3
228.06552	0.5
244.47505	0.3
255.07648	5.4
273.08783	3.4
291.09753	1.7
435.14325	1.1
494.21265	2.4
520.22357	0.4
538.20734	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	538.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34902	1.2
72.08136	2.4
76.57987	1.2
84.94133	1.5
89.05977	1.4
90.96859	1.3
96.08150	2.1
114.09175	15.8
123.04433	6.0
158.27039	1.5
163.03999	1.4
165.05496	2.1
165.16409	2.5
167.07042	1.5
185.29182	1.4
209.16621	1.6
222.11264	8.4
229.08620	8.3
229.17986	3.2
245.98946	1.6
247.07588	1.6
248.08359	1.9
255.19637	1.7
261.09082	1.8
263.10736	2.3
275.07288	1.5
276.07898	2.8
290.09381	2.7
291.10150	9.9
293.08249	1.8
307.09744	2.8
308.10410	6.0
315.08682	1.9
318.08896	2.2
319.09641	2.2
322.12402	1.6
323.12836	3.3
325.10608	2.0
336.09778	3.1
337.10733	8.1
350.11398	2.3
351.12247	5.5
353.10300	11.7
368.12473	15.9
383.14865	100.0
443.17014	41.7
537.78131	2.4
538.28149	6.3
538.41016	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	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68092	1.5
55.01867	5.7
61.82577	1.3
68.78479	1.3
93.07043	2.1
95.08675	1.6
103.05485	2.9
105.07040	6.2
106.43977	1.7
107.34190	1.6
115.20201	1.5
121.06512	11.7
131.04918	3.1
133.06494	8.1
134.03632	2.8
145.02881	1.7
148.05225	2.0
149.05971	59.1
161.05989	23.3
177.05489	25.6
181.08618	46.8
191.07024	24.8
193.08609	7.8
209.08092	77.0
227.68318	1.4
251.09138	100.0
405.55814	1.6
446.54065	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28003	4.3
55.25410	4.0
59.81422	4.1
60.67339	4.1
105.06979	5.1
122.39903	5.3
125.87836	4.5
149.78363	4.4
167.07089	7.7
173.31720	4.8
181.24284	4.3
189.72990	4.6
190.53630	5.1
221.20073	5.6
229.08701	19.4
233.09599	4.9
241.02753	5.2
247.07303	6.3
247.09554	7.6
248.08395	7.2
276.07782	5.9
291.10342	11.2
308.10416	6.8
322.11966	4.8
323.12604	4.8
330.11221	5.8
368.12592	23.8
383.14938	100.0
406.28552	5.5
443.16907	65.1
538.28101	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	537.34
Annotation	Unknow
Peak:m/z	Relative Intensity
105.86919	0.9
111.04225	1.0
131.77708	0.7
155.06754	1.1
271.08057	0.8
308.22101	0.8
354.20474	0.8
450.26846	1.2
537.33966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13565	0.7
72.08192	1.0
75.67582	0.7
94.72176	0.7
120.08086	0.8
137.05956	1.5
139.54231	0.8
163.03844	1.3
163.33539	0.9
164.07021	5.4
220.09262	0.8
247.09828	0.7
271.14468	3.4
284.77890	1.0
289.15500	13.2
325.18945	0.8
343.32214	0.7
356.19794	0.7
392.19452	100.0
408.18991	9.5
450.27429	3.6
478.26917	5.7
537.19922	1.1
537.34113	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	537.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08389	0.5
55.20144	0.4
59.21934	0.5
70.06575	0.6
80.61116	0.5
83.04966	1.2
85.08932	3.3
86.09710	11.2
90.14155	0.5
91.05476	1.0
92.18430	0.8
96.83902	0.5
100.11259	100.0
111.14042	0.5
116.10693	1.8
119.07339	0.6
120.08155	0.8
135.06804	13.6
136.07620	1.2
137.06021	1.0
144.10196	21.4
146.05959	0.8
167.07051	0.7
168.08939	1.3
170.14784	0.7
200.10640	0.7
214.08626	0.6
224.10703	4.5
236.10722	0.8
278.11819	1.2
337.19211	0.9
458.49564	0.6
537.30707	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	537.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99649	0.4
83.15858	0.5
101.90705	0.5
106.60005	0.4
110.48476	0.5
121.02748	0.5
133.52757	0.6
314.38385	0.5
361.52151	0.5
537.30396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50615	1.2
55.67435	1.0
62.26232	1.1
64.54382	1.3
81.07050	1.3
83.64894	1.1
87.97245	1.2
88.75124	1.1
99.12366	1.2
132.86250	1.2
138.58664	1.4
158.33205	1.3
159.89232	1.1
170.56219	1.2
177.05481	1.7
460.52005	1.4
537.30353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.3
58.06606	0.5
59.09032	0.3
60.08173	0.6
69.03472	0.3
69.07084	0.3
70.06609	0.5
83.04992	1.4
84.08191	0.3
85.08931	2.6
86.09709	11.7
91.05514	0.4
95.70267	0.3
100.11261	100.0
112.02749	0.3
116.10713	0.6
120.08121	1.8
131.08640	0.5
134.06081	0.7
135.06798	14.6
136.07545	2.1
141.10249	0.6
144.10201	19.8
146.06035	0.5
160.05290	0.3
160.07610	0.5
162.05499	0.3
168.08958	2.7
169.09804	0.4
174.12828	0.4
179.08621	0.6
181.10175	0.3
188.10786	0.3
196.11154	0.4
200.10779	0.5
202.12344	1.5
207.08029	0.4
214.08685	0.3
224.10732	4.2
236.10715	1.7
278.11807	1.4
337.19223	1.2
338.20178	0.5
405.62878	0.3
435.89059	0.3
476.24948	0.5
537.30688	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57095	0.6
58.06599	1.5
59.86451	0.7
69.07074	0.8
70.06584	0.9
72.08160	11.0
73.62497	0.7
84.08146	5.5
86.09702	4.4
89.76850	0.6
112.11256	7.8
114.12801	10.7
120.33013	0.7
129.13873	4.1
135.04419	1.5
137.05981	0.9
145.02831	4.0
152.10655	1.3
152.32870	0.7
155.11894	1.4
158.11748	2.9
163.03909	74.7
167.07094	0.8
174.49748	0.7
174.96927	0.8
188.07076	15.2
193.05235	0.7
220.09686	76.8
230.08098	6.2
287.13898	3.8
301.15460	14.0
318.18036	1.4
330.18054	0.8
358.21280	11.7
375.23917	9.6
440.18317	0.7
535.18237	0.9
537.27039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3038
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
50.43161	0.4
51.35185	0.4
136.84654	0.4
142.49496	0.4
203.05261	1.1
215.13908	0.5
236.14932	3.2
237.15149	0.7
260.91599	0.6
267.12888	0.6
416.38318	0.5
537.30310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.7
58.58556	0.3
58.64236	0.3
69.03402	0.4
70.06593	0.7
72.08157	1.8
85.02890	0.6
97.16445	0.4
106.15336	0.4
107.05020	0.4
114.10313	0.4
144.08116	0.9
151.03902	3.5
158.09689	0.6
160.07579	34.4
163.03897	0.7
170.09679	2.3
174.09105	0.7
182.09685	0.9
186.09151	100.0
187.09933	31.3
196.11247	4.2
210.12764	0.6
214.12247	0.8
217.13393	4.4
218.14157	18.3
240.13821	0.7
272.28644	0.4
410.47336	0.5
471.11618	0.5
483.12140	0.5
493.25470	4.3
501.12662	0.5
519.14294	0.6
537.24493	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	537.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03286	2.6
55.82884	2.8
61.02044	2.6
64.13364	3.1
65.03933	4.3
73.51696	3.0
76.62573	2.9
77.08424	3.3
86.74715	3.2
93.03400	6.9
94.80479	3.2
101.99147	3.3
103.05473	3.9
105.07021	18.8
107.04964	18.4
110.03662	5.4
110.46838	3.1
111.04446	5.5
115.05386	3.7
121.06522	7.1
123.04382	3.9
125.05984	16.9
129.06937	4.6
131.04955	7.3
133.06493	17.6
137.05986	18.0
149.05991	16.4
153.05473	65.8
159.08063	4.7
161.05989	13.0
163.03896	4.2
164.15639	4.0
165.58937	3.5
167.07034	100.0
170.09660	6.6
175.07513	27.0
183.50378	3.3
187.07530	23.6
189.05496	3.5
199.07527	14.1
216.07803	5.9
219.08008	5.2
233.09505	4.1
249.09157	5.2
251.10710	5.5
261.09036	5.1
264.07755	14.9
265.08871	5.5
276.07715	8.1
277.08612	8.0
278.09464	6.2
279.10233	3.7
281.11649	8.0
291.10269	5.6
292.10922	4.7
293.11667	3.8
306.08939	4.7
307.09723	21.6
308.10440	8.0
309.11295	7.0
319.09793	6.6
321.11179	4.1
323.12860	4.2
339.12231	69.3
341.13882	24.2
349.26013	3.9
350.93057	4.0
351.12198	38.0
353.13940	5.6
475.60056	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	537.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33289	1.2
58.06604	3.3
60.08175	15.9
61.08509	2.7
65.03941	3.3
78.46736	1.5
79.05499	2.2
86.09694	3.9
91.05508	2.7
93.03403	6.0
103.05485	3.3
105.07054	12.6
107.04971	28.0
110.03685	3.2
111.04466	14.5
115.05484	2.3
121.06505	7.9
123.04427	2.2
124.05222	2.8
125.06004	13.6
129.07011	9.3
131.04924	7.9
133.06483	12.5
137.05971	7.9
138.03119	1.8
147.08099	2.0
149.05994	9.6
153.05478	54.9
159.08029	10.8
161.05934	18.1
163.07518	1.8
167.07034	100.0
167.36133	1.7
172.05157	2.5
175.07530	24.2
179.07018	6.0
186.06845	2.1
187.07578	26.5
189.05409	3.4
191.07042	8.2
199.07578	13.1
203.08556	2.4
206.07271	2.0
216.07796	9.5
216.98509	1.6
217.08484	2.1
218.07286	1.9
219.08073	2.5
221.09544	3.8
224.10725	1.9
225.11121	1.6
229.08562	5.9
231.08058	6.9
233.09636	6.1
234.06702	3.0
235.07626	1.7
246.06633	1.7
247.07561	6.1
248.08212	2.3
248.19550	1.6
249.09114	8.5
250.10036	2.4
251.10695	8.9
259.07617	1.8
260.08237	1.9
261.09134	9.0
262.06189	1.8
263.10779	3.5
264.07880	9.4
265.08621	2.0
266.09494	1.9
274.59930	1.7
275.07117	3.0
276.07867	12.8
277.08640	6.5
278.09381	3.1
279.10147	2.6
281.08752	1.8
281.11597	10.8
289.08685	8.4
290.09323	2.0
291.06833	2.0
291.10211	9.0
293.08081	7.2
293.11646	2.4
294.09198	1.9
304.07138	2.2
305.08105	3.0
307.09689	24.3
308.10349	9.5
309.11169	11.8
310.12076	1.9
316.55701	1.5
319.09659	9.7
321.11182	6.1
323.12823	6.5
326.11523	1.7
339.12265	46.6
341.13794	29.0
351.12186	30.0
353.13828	12.7
361.24179	1.6
369.13382	6.9
537.33466	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93430	0.3
62.06092	0.6
84.04482	0.4
105.68315	0.3
119.04942	0.7
127.08674	3.7
128.07085	6.8
137.05946	0.6
141.05470	0.8
145.09744	0.6
147.04427	1.3
149.05980	0.7
151.03917	100.0
151.04970	4.5
173.09227	14.6
194.45436	0.3
211.07564	1.7
222.45380	0.4
223.07677	0.5
236.04660	0.5
239.07050	0.6
240.07848	0.5
251.07117	0.6
268.07379	0.7
271.09515	1.5
279.06567	0.7
283.09637	4.3
299.09152	15.3
299.12332	0.7
311.09137	3.9
315.08771	0.5
315.14667	0.4
329.10229	19.7
341.13373	0.4
347.11383	2.5
379.02155	0.4
461.71710	0.4
471.17572	0.6
489.18735	10.1
501.18842	1.4
519.19727	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	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60829	0.8
57.89360	0.7
60.08158	4.3
86.09712	21.5
94.36354	0.8
97.30896	0.8
98.29242	0.9
104.10732	1.8
104.24834	0.8
107.87007	0.8
114.12811	13.3
124.99986	10.3
146.11786	1.2
158.11835	1.6
184.07344	100.0
190.33408	0.8
213.42317	0.9
225.88550	0.9
273.02518	0.9
333.41501	1.1
518.32391	23.5
536.33197	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	536.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08169	6.8
67.05504	0.7
71.07370	1.2
77.64032	0.3
81.07047	0.5
86.09711	25.5
87.42984	0.3
91.05443	0.4
91.39113	0.3
93.07034	0.4
95.08587	0.4
104.10753	30.9
125.00009	11.8
129.12907	0.3
130.86241	0.3
133.66324	0.3
152.70422	0.3
171.68112	0.3
184.07347	100.0
186.07805	0.4
205.02126	0.3
212.78506	0.3
412.09592	0.3
479.37283	0.3
490.37546	0.4
500.31454	1.5
518.32446	39.6
536.33002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51545	0.1
55.01864	0.1
60.19632	0.1
62.06109	1.1
65.03971	0.2
67.05512	0.2
68.62448	0.1
69.33394	0.1
70.06573	0.3
72.04528	0.2
72.08131	0.7
74.41225	0.1
82.06589	0.2
84.04494	1.0
84.08153	0.2
85.05251	0.2
95.04965	0.3
100.07655	0.2
101.28393	0.2
108.02119	0.4
110.06002	0.2
119.04910	1.1
121.02880	0.3
123.04445	0.2
124.08589	0.1
127.08667	3.3
128.07082	8.6
135.04361	0.2
137.05995	1.1
141.05457	1.6
143.35333	0.2
145.09714	1.4
147.04387	1.6
149.05997	1.0
151.03908	100.0
151.04930	4.1
156.06580	0.2
161.05988	0.2
163.03926	0.8
173.09221	12.6
177.05505	0.3
179.07047	0.8
182.99590	1.2
183.07957	0.2
194.08025	0.2
196.05275	0.2
199.07089	0.2
208.05226	0.2
211.07520	1.3
219.04352	0.2
223.07515	0.2
228.07892	0.2
236.04799	0.2
239.07050	0.8
240.07806	1.0
243.10217	0.3
251.07060	0.8
256.07306	0.6
268.07254	0.6
271.09558	0.8
279.06586	0.8
283.09628	3.8
285.07687	0.6
299.09128	13.9
299.44913	0.2
301.10617	0.2
311.09116	4.1
315.08670	1.8
329.10190	19.3
339.11795	0.3
341.13470	0.2
347.11252	2.2
390.15448	0.2
413.05518	0.2
447.93250	0.2
471.17557	1.1
475.05444	0.8
483.18060	0.2
489.11649	0.3
489.18695	9.2
501.18811	1.3
519.19775	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	536.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43896	0.4
58.06599	2.7
60.08171	10.4
69.07056	2.9
70.06583	1.8
72.08156	0.7
81.07082	0.4
84.08147	2.7
85.08927	2.2
86.09715	3.0
94.30336	0.4
94.38450	0.4
97.06527	2.6
100.52986	0.5
106.24397	0.5
114.09151	2.4
114.12806	100.0
119.00533	0.4
121.02860	1.8
124.07547	0.5
125.18930	0.4
163.03880	2.8
177.22867	0.4
221.34427	0.5
222.11314	2.7
405.23743	0.6
536.33337	41.6
536.77075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	2.6
60.08171	55.8
67.05483	1.1
69.07080	5.6
70.06604	1.0
71.08615	1.4
72.08147	3.4
74.02428	0.7
83.23417	0.5
84.08144	7.4
86.09705	8.6
92.18433	0.7
95.04953	5.2
97.06535	10.2
107.04960	1.2
110.06026	1.2
112.07633	1.0
114.09167	9.8
119.04951	2.4
121.02849	6.7
124.07587	2.8
130.08638	1.3
132.10243	0.9
133.10115	0.7
141.10233	3.1
144.44373	0.7
149.09639	1.1
155.08131	0.7
161.09508	0.9
163.03915	6.4
180.13715	4.6
205.08553	5.9
208.13377	1.6
222.11252	8.5
223.14452	1.1
226.14471	1.2
248.09303	0.9
269.15012	1.1
300.15894	0.7
377.24396	3.4
405.33096	0.7
508.08432	0.7
536.33307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65627	2.0
54.59140	2.7
55.01891	4.4
56.26481	2.2
57.03448	3.7
59.33492	2.3
61.35570	3.0
62.67796	2.6
66.61913	2.3
67.05482	2.2
69.03429	22.8
69.07091	2.8
70.06615	3.1
71.05000	4.5
72.08163	3.6
72.40320	2.6
73.02895	3.1
76.02221	6.2
81.03436	24.8
81.07055	15.1
82.98548	2.3
85.02912	100.0
87.00841	32.9
91.50093	2.4
93.07040	4.7
95.04946	5.6
95.08609	18.1
97.02901	57.3
97.06519	6.3
99.04468	14.8
105.01871	49.4
105.07035	11.5
107.04954	3.6
107.08592	11.9
109.02870	35.2
109.10145	18.1
113.06013	2.9
115.07545	4.5
119.08597	30.6
121.10168	20.6
122.70010	2.4
123.08047	2.9
123.11713	4.2
127.03920	79.9
131.08566	3.6
133.10168	27.9
135.11668	4.4
137.09572	4.6
145.04962	26.4
145.10109	3.9
147.11687	66.0
157.10124	11.1
159.02870	29.2
159.11691	17.1
161.09668	4.9
162.02156	5.5
171.11624	5.9
173.13222	11.3
175.11232	6.5
175.14804	34.2
179.04790	4.4
187.14909	4.5
189.12758	5.4
189.16397	5.6
193.15881	10.7
199.14842	20.2
205.15683	3.5
217.15872	37.9
231.04967	19.7
233.15437	4.1
235.16934	49.5
242.25372	3.3
249.06131	11.8
253.17902	3.4
273.06042	3.6
308.09073	21.1
316.50516	3.4
465.21283	13.4
483.22546	5.1
536.24774	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	536.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.8
55.05531	3.6
59.04999	4.9
67.05505	9.9
69.03433	14.7
69.07056	14.8
69.40716	2.1
70.06587	14.7
71.05011	19.3
72.08170	24.3
73.02921	2.4
79.05499	11.2
79.97021	3.0
81.03414	9.6
81.07057	22.8
83.04964	5.9
83.08599	3.9
84.08146	10.5
85.02908	41.2
85.06551	14.9
86.09713	4.5
87.00850	18.7
91.05488	15.1
93.07044	34.0
95.04972	16.2
95.08636	23.3
97.02897	18.8
97.06551	9.4
97.10187	6.4
99.04456	11.3
101.06013	10.8
101.97584	2.4
105.01875	17.7
105.07040	20.9
107.08603	48.2
109.02901	15.2
109.06506	4.9
109.10175	22.0
111.04480	2.7
111.08112	3.0
112.11224	3.3
114.10200	2.4
119.08587	24.1
121.10160	32.2
123.08074	4.4
123.11653	4.6
125.06035	3.3
125.09626	35.6
127.03926	31.6
127.07535	6.1
127.11192	45.3
129.01843	3.7
131.08539	4.6
131.44017	3.0
133.10194	18.6
135.08051	3.8
135.11690	10.5
136.06157	3.5
137.09651	6.1
139.11221	9.8
143.10703	54.4
145.04955	13.8
147.11674	10.8
149.09686	5.0
149.13264	4.0
159.02905	11.9
159.11719	12.9
161.13220	5.4
164.50714	2.4
165.12793	3.6
167.10629	4.5
175.11172	4.1
175.14827	5.1
179.10719	3.9
189.16396	6.1
197.11787	3.1
199.14824	4.5
205.49512	2.8
217.15904	11.7
231.05083	3.0
235.16924	40.3
253.17917	44.2
271.19052	22.4
290.81677	3.1
294.05823	3.0
461.37531	3.1
501.23151	5.0
519.24860	6.4
536.27423	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	535.3631
Annotation	Agosterol C2
Peak:m/z	Relative Intensity
52.63250	5.9
58.96759	6.7
61.65147	5.8
69.01275	7.6
69.17086	5.9
107.08568	10.7
107.60702	6.4
117.39468	7.3
145.10143	9.6
147.11650	11.0
159.11702	14.7
161.13239	62.4
212.63278	8.6
255.21068	84.5
302.11902	7.6
352.25418	8.1
354.17102	6.8
359.25925	100.0
517.35455	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	536.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40859	0.2
55.01871	0.2
55.05510	0.2
62.50294	0.2
63.76374	0.2
69.03415	0.5
70.06596	0.3
70.60364	0.2
72.08135	0.5
77.69851	0.2
79.05508	0.2
81.03433	0.5
81.07071	0.4
82.77872	0.2
82.78361	0.2
83.04994	0.2
85.02934	1.8
87.00813	0.3
94.14060	0.2
95.04980	0.2
95.08614	0.3
95.12876	0.2
97.02879	0.4
101.06022	0.2
105.01882	0.3
105.07050	0.4
107.08560	0.3
109.02862	0.5
109.10148	0.9
119.08588	0.4
121.10116	0.8
127.03892	0.9
127.39143	0.3
127.40127	0.2
133.10136	0.5
135.11707	0.2
147.11691	0.4
149.09665	0.3
149.83293	0.2
157.10101	0.2
159.11682	0.3
170.06059	0.3
171.06628	0.2
174.85876	0.2
182.06003	1.5
184.07597	0.4
186.05582	0.3
186.09166	0.3
198.05423	2.2
199.06293	15.5
199.14809	0.3
210.05492	1.1
212.07066	0.4
214.08652	1.4
217.15919	0.5
227.05769	6.8
228.06523	0.3
235.16924	1.0
240.06546	1.4
242.08118	62.7
248.52991	0.2
253.17921	1.0
256.05966	0.4
270.07611	98.6
288.08670	100.0
301.05136	0.2
536.14166	3.5
536.22638	0.3
536.24280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	5.0
60.08174	51.9
66.44263	0.7
67.58081	0.6
69.07060	6.3
70.06585	1.6
71.08627	1.7
72.08173	5.8
73.18788	0.6
83.79094	0.7
84.04507	0.8
84.08132	5.1
85.02908	0.7
86.09709	29.9
86.81252	0.7
90.98362	0.7
91.05450	1.0
92.17827	0.9
95.08626	0.7
96.08124	4.0
97.06525	11.2
102.84528	0.6
105.07017	1.4
107.04908	0.8
107.08581	0.9
109.02862	0.7
112.07579	1.0
113.10796	1.4
114.09173	34.0
114.10289	1.6
114.12811	20.6
115.09507	1.3
121.02859	3.7
121.10155	1.0
122.09712	1.0
125.79131	0.7
127.03900	1.1
131.11787	1.0
135.04468	0.8
141.10204	1.5
145.02856	1.1
149.05997	0.7
149.09654	1.2
152.10732	0.7
152.14348	0.8
158.08272	0.7
158.11758	3.0
161.05933	0.8
161.09686	2.1
163.03928	10.4
169.09781	1.2
169.41635	0.6
177.01817	0.9
180.10191	0.9
180.13841	5.8
188.10695	1.3
193.08630	2.8
204.10182	2.9
205.08569	4.6
208.13333	7.4
209.16556	2.6
210.16731	0.9
222.11263	5.2
223.14342	1.5
226.19109	0.8
227.17503	1.1
228.15904	2.8
238.12268	0.9
249.04999	5.7
263.15024	1.1
269.15298	0.9
291.14523	1.0
292.15262	4.1
318.17004	0.7
322.24994	1.0
333.14447	1.4
340.25949	1.0
343.16498	0.8
377.24344	5.1
491.23874	7.6
535.07349	10.3
535.26416	3.5
535.34802	100.0
535.73785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88168	0.1
58.06611	1.7
67.06380	0.1
69.07082	1.9
70.06587	1.6
72.08166	1.3
74.45413	0.1
79.05496	0.2
81.07056	0.3
84.08147	1.2
84.08586	0.2
85.02910	0.2
85.08937	1.7
86.09715	1.4
98.06042	0.2
103.05452	0.2
107.67884	0.1
109.02797	0.2
110.07140	0.2
114.12807	100.0
119.08602	0.2
121.06460	0.2
131.04971	0.3
137.05988	0.2
144.08092	0.7
153.05612	0.2
163.03918	1.3
170.09645	1.6
171.10397	0.6
202.14641	0.2
220.09763	0.2
234.15784	0.2
253.19278	0.2
366.27560	0.7
405.23840	2.4
468.43484	0.1
503.79166	0.2
517.33820	2.8
518.32355	0.8
526.73840	0.3
535.26355	2.2
535.34882	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	535.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07381	1.2
52.15387	1.4
58.06612	12.4
59.07394	11.8
59.11149	1.2
60.08177	46.0
69.03426	1.7
69.07058	2.0
70.06582	1.8
72.08163	1.6
83.04980	5.4
85.29009	1.3
86.09715	21.0
119.04997	1.7
120.08092	2.8
126.12624	1.4
130.06526	1.3
134.06076	1.9
136.07610	3.5
146.06041	2.6
149.09683	1.6
170.09698	2.5
186.09198	3.0
197.14029	1.5
207.08125	2.4
224.10710	15.5
228.10152	2.1
229.13458	1.7
235.33194	1.4
236.10727	5.8
261.19797	6.0
387.67865	1.6
476.25378	1.6
535.32843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	14.2
59.07389	10.0
59.51201	0.8
60.08173	41.4
83.04992	5.4
86.09707	16.7
92.17685	0.8
105.03423	1.1
118.06563	1.6
119.07343	0.9
120.08121	4.4
134.06018	1.6
136.07568	4.7
141.10150	0.7
145.05219	1.8
146.06001	4.9
162.05493	1.1
179.08597	2.9
181.10083	0.8
186.09154	1.2
188.14749	0.8
207.08080	3.0
224.10686	15.5
228.10205	1.3
236.10687	5.2
253.13287	0.8
261.19601	8.6
275.13879	1.4
281.12689	0.9
414.10605	0.8
434.88242	0.8
535.32800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3287
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
52.41444	0.3
52.51960	0.3
54.97391	0.3
55.05516	0.6
56.48803	0.3
57.28128	0.3
58.06611	15.3
59.07389	12.7
60.08173	50.0
68.38939	0.3
69.03403	0.3
69.07067	0.3
77.24700	0.3
80.63513	0.3
83.04992	6.1
86.09711	16.8
91.05468	1.5
100.11248	0.4
105.03411	1.5
106.06565	0.5
107.04964	0.7
118.06528	2.2
119.04975	0.5
119.07360	1.3
120.08125	4.2
130.69925	0.3
134.06001	3.2
135.06744	0.5
136.07578	5.9
137.05954	3.5
141.10159	0.3
143.04958	1.6
145.05211	3.7
146.06017	3.9
148.07516	0.4
151.03926	1.4
159.14949	0.6
160.07625	0.4
160.11221	0.5
162.05536	1.5
166.07695	0.3
170.09659	0.3
174.12724	0.4
175.53545	0.4
178.61519	0.4
179.08557	3.6
180.35429	0.4
181.06442	0.4
181.10146	2.0
186.09137	1.6
188.95230	0.4
195.08096	0.5
196.11221	1.9
198.82339	0.3
200.10762	2.3
201.11508	1.9
202.12120	0.3
203.15536	0.3
204.13876	0.4
207.08073	3.4
207.14871	0.5
224.10699	18.0
228.10233	2.9
229.13388	0.5
231.14857	0.6
236.10689	6.0
246.09317	0.6
247.14400	1.3
252.64493	0.4
253.13290	0.7
261.19653	6.9
265.08557	2.4
275.13934	1.3
297.11267	1.6
335.17538	0.5
339.12207	1.3
446.04358	0.4
507.33136	0.8
535.19550	3.9
535.32806	100.0
553.76611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3283
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
50.33661	0.7
50.50694	0.7
58.06359	1.1
58.06609	18.8
59.07394	12.2
60.08171	52.1
63.32274	0.7
63.63280	0.7
76.90566	0.8
83.04982	7.4
86.09708	19.3
93.84938	0.7
105.03368	1.1
112.44673	0.7
118.06540	3.3
119.04926	1.5
119.07313	0.9
120.08096	3.8
134.06026	1.1
135.00580	0.9
136.07590	5.3
137.05977	1.9
145.05238	1.8
146.05989	3.5
149.05981	0.9
152.57774	0.7
159.14926	1.1
162.05487	0.9
175.07494	1.1
179.08606	4.2
181.10095	1.8
186.09128	1.3
187.07594	1.1
196.11302	1.2
201.11491	1.7
207.08157	3.2
208.00433	0.8
215.02623	0.9
224.10687	17.3
228.10175	1.4
236.10646	6.5
261.19571	7.1
275.13943	0.9
282.34241	0.9
295.09790	0.9
323.13492	0.8
507.33463	0.8
535.32794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
58.06609	14.0
59.07393	12.5
60.08177	51.8
66.68243	0.6
69.07068	3.8
75.78854	0.6
78.72680	0.6
82.23209	0.6
83.04984	5.0
86.09720	19.7
91.05480	2.4
99.00777	0.7
105.03413	0.7
107.04886	0.7
112.07605	1.2
118.06513	1.0
118.22700	0.7
119.07326	1.2
120.08115	4.8
134.05981	1.0
135.89977	0.5
136.07594	7.1
145.05266	2.3
146.06024	3.2
162.05602	0.7
179.08571	3.7
181.06500	0.7
181.10103	2.5
182.09712	0.8
189.06583	0.6
196.11305	1.2
200.10843	1.0
201.11533	0.9
207.08023	2.3
210.34343	0.6
224.10710	17.0
228.10223	1.5
231.14963	0.8
236.10767	8.1
249.92184	0.6
261.19601	7.6
281.13135	0.7
392.19977	0.7
476.25925	0.8
507.33231	1.0
535.32837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	2.2
56.20279	0.2
57.05822	0.3
57.62587	0.3
58.06613	5.3
58.35699	0.3
59.07388	2.4
60.08173	11.0
69.03431	0.3
69.20479	0.3
71.42650	0.3
72.04501	0.5
72.08158	19.9
84.08161	1.3
85.02913	0.6
85.05294	3.7
86.09707	1.9
100.07621	100.0
102.05538	0.6
102.09190	1.4
117.10248	5.7
123.62881	0.3
128.10699	1.8
157.09050	0.3
161.12848	11.4
163.03876	0.5
170.09634	0.3
189.09152	1.2
190.12228	0.7
202.12291	3.9
210.12790	0.4
212.10745	0.5
219.14868	0.5
230.11903	0.6
231.10097	3.7
241.37595	0.3
248.12877	6.4
256.13312	3.2
265.15497	0.7
285.16052	0.4
287.17587	0.3
291.17691	0.3
303.17007	0.7
323.05542	0.4
349.17664	1.3
355.07861	0.6
415.57233	0.3
421.11533	0.3
463.29068	2.1
476.24185	0.7
507.31760	3.8
530.46283	0.4
535.24078	4.5
535.31250	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	7.7
59.07381	1.2
60.04530	5.4
60.08173	32.2
68.47840	0.4
69.07059	1.0
72.08103	0.5
75.55483	0.4
84.08154	2.6
97.06529	2.7
109.10136	0.6
110.96213	0.5
114.09153	3.3
114.12820	6.0
118.16046	0.5
119.07326	0.7
124.07590	0.9
125.08421	1.0
128.10724	2.1
136.07602	1.3
138.09171	3.6
154.08569	0.7
170.09612	0.6
173.16486	20.9
177.09103	0.9
180.13864	5.4
182.08179	0.8
189.09076	2.6
190.12299	2.5
200.10736	3.0
202.12236	6.0
210.12895	0.7
212.10762	0.8
219.10196	2.1
222.11256	0.6
226.12350	0.9
230.11703	0.5
231.10150	7.4
236.12933	1.2
238.12247	0.7
246.11256	2.6
248.12801	8.7
260.12848	2.1
277.15689	0.7
286.40549	0.5
289.15567	2.2
315.13403	0.7
315.20810	1.3
333.22055	0.6
335.16141	0.7
361.50238	0.5
403.22287	2.2
420.24945	2.8
476.23929	1.1
507.31818	7.5
510.35214	0.6
535.31311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	0.9
64.11450	0.5
66.81751	0.4
72.08169	0.7
79.09229	0.5
92.96401	0.4
119.08642	0.5
126.12730	0.6
129.94406	0.6
151.59415	0.5
160.07581	36.4
161.08301	0.6
162.49908	0.6
167.07002	1.0
169.91006	0.5
170.09666	2.2
173.84511	0.5
174.09171	0.6
186.09155	100.0
187.09943	28.7
202.11110	0.8
217.13359	5.1
218.14169	17.7
249.28625	0.5
317.18527	0.9
535.25537	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	1.8
60.08157	0.6
61.05688	0.4
67.51839	0.4
72.08151	1.7
72.20919	0.4
100.07624	6.4
131.73694	0.4
160.07579	35.3
161.12772	0.5
170.09630	2.2
174.09140	1.7
186.09152	100.0
187.09933	29.6
198.28334	0.4
203.11792	0.7
217.13416	5.1
218.14157	15.6
232.41820	0.4
261.17715	0.4
347.51804	0.4
372.80911	0.4
535.25397	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	535.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75492	0.3
58.06587	0.8
62.38982	0.3
69.03429	0.6
89.35699	0.3
93.07016	0.5
105.21976	0.4
109.10139	1.9
119.08586	0.4
121.02898	0.4
131.07256	0.4
133.10120	0.4
133.94075	0.4
135.11662	1.6
137.05934	0.4
144.08093	24.7
145.08832	0.7
151.07547	0.4
158.09631	2.2
167.07024	0.4
170.09645	100.0
171.10425	26.9
175.14787	0.8
193.15945	0.7
201.13867	6.1
202.14655	20.3
211.16977	2.1
212.10745	0.8
230.11815	0.6
256.13248	3.3
259.33417	0.4
294.05392	0.4
295.06088	2.1
307.06152	1.9
321.07541	0.8
325.07190	2.0
333.07718	0.7
335.09274	0.7
337.06982	2.6
347.09085	0.4
349.07245	2.0
351.08633	1.7
357.71210	0.4
361.07480	0.4
363.08621	1.5
373.06836	1.3
375.08801	0.4
379.08185	2.9
391.08261	1.9
397.09436	0.5
403.08200	0.5
409.09326	2.5
427.10419	1.7
433.09073	0.6
445.09750	0.4
455.89697	0.4
469.11581	0.8
481.11386	1.9
491.27536	6.4
499.12360	5.0
517.13269	3.8
535.14191	1.4
535.26611	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73512	0.4
58.06599	0.7
65.52807	0.5
70.06593	0.9
72.08160	0.8
74.55577	0.5
74.57375	0.5
74.57793	0.5
77.04969	0.5
83.42947	0.5
84.08134	0.6
85.02924	0.6
103.13173	0.5
113.10663	0.5
118.82108	0.6
122.02780	0.6
137.06000	0.8
151.03918	3.0
160.04117	0.6
160.07570	33.6
167.07011	7.1
170.09630	1.1
174.09117	0.7
186.09135	100.0
187.09914	28.0
202.10890	0.8
217.13397	5.8
218.14134	14.9
317.18713	0.9
403.33948	0.5
535.25543	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98097	0.9
61.95388	1.0
63.33174	1.0
67.05512	1.3
69.03429	1.4
69.07032	1.2
70.06618	1.1
72.08154	2.5
79.05491	1.6
81.03420	4.4
81.07067	1.6
84.08135	1.6
85.02916	2.3
89.10825	1.0
93.07020	1.6
95.04976	1.1
95.08618	2.3
97.02890	1.6
97.06538	1.5
105.07043	2.0
107.08625	1.2
109.02893	1.7
109.10118	1.3
110.06043	1.4
113.07417	1.2
114.09179	6.1
114.10285	1.4
119.08590	4.5
119.19637	1.1
121.10100	1.7
127.03929	4.1
133.10100	1.9
136.06161	1.1
137.05980	1.9
144.08080	31.3
145.10156	1.4
146.09662	5.7
147.11726	1.4
147.37367	1.1
157.07684	1.2
158.09671	8.5
160.07565	1.9
163.03923	6.0
173.10728	2.4
181.08888	5.6
182.09642	2.3
183.11754	1.3
188.10728	1.1
193.08783	1.1
195.10408	6.9
196.11224	30.2
200.09401	9.4
201.10237	100.0
203.11874	5.8
210.12784	84.4
212.14330	2.2
227.15506	2.3
238.12193	6.5
269.16486	51.1
269.22647	2.2
273.14944	1.0
287.17542	79.8
292.15329	7.2
293.16165	2.5
343.76279	1.2
366.00995	1.1
383.23428	1.1
400.62003	1.1
491.23932	11.3
535.07458	1.2
535.22876	9.5
535.30396	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	535.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01860	0.7
58.06590	0.9
61.02916	0.5
69.03432	3.2
70.03273	0.4
71.04990	0.4
73.02932	0.5
77.59899	0.4
81.03421	3.7
84.87609	0.5
85.02912	8.7
87.00806	2.7
97.02885	3.8
99.04481	4.1
105.01844	2.6
107.80523	0.4
109.02895	5.2
109.10148	0.9
127.03923	8.4
131.07307	4.6
132.08087	1.0
133.02814	0.5
135.11653	0.6
144.08072	4.3
145.04945	1.0
145.08865	5.1
146.09462	0.6
157.07570	0.6
157.08859	11.2
158.09674	0.6
159.02864	4.1
159.10449	0.6
161.02289	0.9
163.03867	2.4
167.07054	0.5
170.09622	0.7
173.08374	6.1
182.09665	2.5
183.10429	4.0
184.11226	1.1
187.09920	0.7
193.15836	0.5
195.10429	2.8
196.11240	0.5
197.08328	3.4
210.12776	15.2
211.09857	2.2
211.13623	0.9
211.16997	1.1
212.10704	15.7
212.14293	2.6
224.10669	2.2
226.12279	6.6
228.10258	0.9
230.11775	23.8
236.10530	0.6
238.12164	3.9
242.11859	0.9
244.13297	8.3
254.11823	2.3
256.13321	100.0
272.12860	6.9
287.17529	14.3
320.12839	0.8
323.05444	1.8
338.13773	1.9
355.08139	1.1
361.11783	0.5
424.13742	0.6
442.14798	3.6
460.15881	2.4
478.17212	7.3
504.18747	1.1
535.22882	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
53.49060	0.4
55.01857	1.0
58.06578	2.2
68.24830	0.5
69.03427	6.1
71.04980	0.6
72.88142	0.5
73.02880	0.9
81.03423	6.8
85.02432	0.8
85.02907	15.9
87.00829	4.9
97.02889	7.9
99.04462	4.9
105.01841	4.7
109.02879	13.6
114.12943	0.5
127.03075	0.6
127.03912	13.8
129.00885	0.6
129.01846	0.7
131.06464	0.7
131.07307	15.2
131.79282	0.6
132.08011	1.1
144.07158	0.7
144.08089	12.5
145.04877	2.7
145.08838	6.1
154.23526	0.5
157.08904	6.7
158.09589	1.1
159.02881	7.9
170.08266	1.1
170.09645	27.4
171.10419	6.9
173.08392	7.2
182.09555	2.5
183.10411	6.2
184.11127	2.3
195.10384	1.3
197.08365	4.7
199.09988	0.8
201.13789	1.1
202.14700	4.5
210.12758	8.4
211.09845	1.0
212.08725	0.6
212.10692	17.6
212.14217	2.4
224.10661	2.4
226.12035	0.8
228.10176	0.7
230.11752	35.1
231.04926	2.7
236.10512	1.0
238.12187	2.9
239.09306	0.9
242.11760	1.1
242.91241	0.5
244.13333	7.6
246.95479	0.5
254.11629	1.3
256.13303	100.0
272.10049	0.6
272.12790	9.5
287.17526	16.7
320.12497	2.4
338.13898	0.6
424.13873	1.0
442.14551	3.1
460.15567	2.2
478.16888	4.1
535.22540	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	0.8
69.03432	1.0
70.06610	1.3
72.08159	6.0
72.08533	0.9
81.03453	1.7
85.02923	5.4
87.00873	1.1
96.38734	1.1
97.02959	1.1
105.01878	1.0
109.02904	2.0
127.03944	4.7
131.07373	2.0
144.08157	1.9
145.08983	1.4
157.08937	6.3
159.02962	2.2
160.07581	34.6
161.08522	1.0
170.01189	1.0
170.09717	4.4
173.08427	3.7
177.05630	1.5
184.11266	2.0
186.09152	100.0
187.09918	25.0
196.11267	2.3
197.08441	1.9
198.09293	1.2
210.12767	10.7
212.10661	16.9
217.13512	4.7
218.14162	15.5
218.15868	0.9
224.10875	1.2
226.12402	4.1
230.11768	13.3
238.12564	1.4
244.13467	4.2
256.13309	50.3
272.12903	2.0
287.17569	7.7
407.41104	1.0
433.32483	0.9
460.15875	1.2
478.17447	2.3
508.32172	1.0
535.25360	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24119	0.4
53.86563	0.4
55.05492	0.4
67.05473	0.4
69.03406	0.7
69.07056	0.5
70.06558	2.1
72.08124	0.9
81.03371	0.8
81.07040	0.6
84.08113	0.8
85.02895	1.1
86.09687	1.0
95.04948	0.6
95.06057	0.8
97.02874	1.8
109.02847	2.0
110.07199	0.5
115.08632	0.7
119.08542	2.3
120.08086	0.5
127.03867	2.0
137.05948	0.5
144.08092	56.5
145.08862	3.4
145.09908	0.6
148.07509	0.7
158.09625	3.8
167.07108	0.6
170.09651	60.6
171.09023	0.6
171.10426	14.6
173.10689	2.6
182.09546	0.6
184.11217	1.0
186.09079	0.6
187.12250	2.9
188.13087	62.7
197.08385	0.6
210.12791	0.5
212.10698	2.6
224.10730	2.5
226.12317	0.6
233.15399	2.0
234.15695	2.7
238.12230	0.9
243.18533	2.1
246.73782	0.5
251.16368	0.6
252.16716	1.0
269.16541	4.6
270.14908	3.1
287.17542	92.0
315.17038	0.8
366.18979	0.8
491.23837	5.9
535.22925	100.0
547.30902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27166	0.6
64.27905	0.6
69.03433	1.0
74.28016	0.6
75.33424	0.6
78.27712	0.6
78.74093	0.6
81.03436	1.4
81.63236	0.6
85.02882	1.0
103.23237	0.6
109.02891	0.7
120.08859	0.7
124.31160	0.6
144.08090	57.5
145.08899	2.9
158.09634	4.4
170.09645	61.6
171.10440	15.8
173.10692	1.4
185.03896	0.7
187.12280	3.0
188.13089	70.2
197.89865	0.7
199.12279	0.8
220.16559	0.8
223.48395	0.7
224.10701	2.9
229.29819	0.7
234.15782	2.7
243.18556	3.0
269.16537	4.0
270.14893	1.3
287.17538	98.7
315.78894	0.7
318.09073	0.7
366.19528	0.7
439.86032	0.8
491.23965	9.0
535.22876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2182
Annotation	N-Demethyl-desepoxymaytansinol
Peak:m/z	Relative Intensity
53.71666	2.8
55.45516	1.7
66.01920	2.6
78.79665	2.2
80.95709	2.4
94.06553	2.6
109.02946	2.9
110.06075	16.7
122.06042	12.3
136.07571	17.4
137.05994	17.4
140.07149	2.5
143.67665	2.3
150.21188	2.3
153.40677	2.7
162.74425	2.4
164.07071	12.4
165.50438	2.6
167.07063	3.0
226.82855	2.4
265.08725	2.4
285.30255	2.9
295.13123	2.5
336.13480	26.9
354.14490	100.0
380.12408	4.9
383.14703	4.9
517.20978	26.3
535.21790	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1452
Annotation	6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
62.95292	2.5
68.19213	2.8
77.22532	2.6
114.12801	30.7
121.02861	16.0
122.54171	2.7
146.38530	3.0
153.92708	2.7
165.37273	3.6
167.06999	13.4
170.09642	3.5
175.07578	25.1
193.08624	14.6
198.59190	3.1
294.05197	14.5
295.05966	61.6
307.05981	49.8
308.06735	6.1
309.07486	4.4
313.07016	5.0
317.08286	4.9
319.06177	3.7
320.06787	4.6
321.07648	37.0
323.09229	4.6
325.07022	60.0
333.07574	28.5
335.09225	15.1
336.05975	3.8
337.07062	62.2
339.08652	4.6
345.07495	17.5
347.09247	5.8
349.07043	57.0
351.08643	25.8
355.15338	10.5
359.09250	4.9
361.07114	42.7
363.08569	36.6
367.08109	10.0
373.06961	26.4
375.08597	15.7
379.08145	71.9
387.08676	6.9
389.10455	3.7
391.08157	67.7
393.09723	3.5
397.09259	15.2
399.08704	5.3
403.08075	11.4
405.09625	11.6
409.09305	38.8
415.08389	5.7
417.09552	11.1
421.08981	3.4
427.10349	37.0
433.09189	17.9
445.09973	18.7
451.10208	15.0
463.10300	3.8
469.11096	26.2
481.11383	55.7
499.12347	100.0
517.13458	78.7
535.14508	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37914	1.1
63.92730	1.2
69.68211	1.1
70.06566	1.3
72.08149	1.8
72.93817	1.9
80.57099	1.2
90.94825	2.8
105.07006	2.1
107.04951	28.4
113.56775	1.2
119.04921	1.3
121.02862	6.6
121.06526	9.6
121.44530	1.2
123.46081	1.3
132.95830	4.9
133.06488	6.8
135.04420	2.1
149.05960	1.8
150.96910	2.6
152.96332	1.8
161.06010	6.2
166.97943	8.1
170.97342	1.5
176.99936	1.6
178.97931	17.7
179.98715	4.8
180.95857	1.9
180.99489	16.0
181.96646	1.6
182.97415	2.5
192.99425	9.8
193.96556	1.4
194.97388	21.9
195.01132	3.1
196.98976	6.4
198.96906	1.5
204.99477	13.9
207.01028	10.6
208.98979	47.7
211.97672	3.0
212.98567	4.7
218.97568	1.4
220.98915	7.2
221.02594	5.1
222.96933	5.3
223.00526	86.7
224.01318	1.5
227.00037	4.6
229.98709	6.2
232.99075	7.0
239.00052	1.3
241.09013	1.5
247.00691	1.5
248.98441	8.0
251.00012	100.0
264.98819	2.3
265.01563	23.0
268.00412	1.8
269.01083	61.4
269.03894	2.8
270.98987	2.0
271.04169	5.7
276.98123	1.6
290.18393	1.3
290.99515	2.9
293.01050	6.8
294.99063	6.1
299.03674	2.1
311.02051	1.6
313.00104	6.3
313.05273	7.0
339.03186	2.6
341.04776	9.1
355.01114	22.6
355.05826	2.6
369.04312	17.6
383.05795	36.5
385.03787	2.6
401.06296	1.5
409.03339	1.6
411.05173	38.5
413.03217	12.5
432.03699	1.6
437.03091	1.9
445.05817	8.6
473.05338	88.0
475.03281	37.1
499.03406	2.0
535.05212	18.2
535.18225	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	6.0
57.03438	2.4
57.07076	12.6
67.05508	43.6
69.07066	18.1
71.08609	5.7
79.05484	12.5
81.07066	76.5
83.08603	20.9
85.02892	3.1
91.05472	9.9
93.07047	14.6
95.08611	68.1
97.02884	3.3
97.06544	5.7
97.10170	12.8
98.85555	2.5
105.07046	5.1
107.08617	18.9
109.10168	34.7
111.11765	3.0
119.08565	12.1
121.10152	25.9
123.11729	24.3
133.10182	20.9
135.11688	12.3
137.13231	5.7
147.11667	10.8
149.13286	6.2
151.14894	3.1
161.13312	18.0
163.14819	12.8
165.16476	3.2
175.14799	15.1
179.17928	3.4
245.22632	50.9
263.23685	100.0
337.27371	45.5
355.28403	31.2
374.40100	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	534.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90429	1.5
53.00307	1.9
55.05514	11.1
56.39761	1.5
56.59922	1.6
57.03434	2.9
57.07080	9.5
60.08180	2.6
63.40208	1.6
67.05180	3.0
67.05514	61.6
69.03430	11.6
69.07071	16.8
71.04994	3.4
71.08578	2.2
79.05511	18.6
81.03422	7.7
81.07066	86.9
83.04982	4.0
83.08627	20.9
85.02923	20.0
85.95820	1.9
86.09717	17.7
91.05485	11.9
93.07040	26.9
95.04966	3.4
95.08613	59.1
97.02879	20.6
97.06513	2.3
97.10178	14.2
99.04444	3.7
99.08089	3.0
105.07030	12.7
107.08591	19.9
109.10159	38.5
110.90216	2.0
111.08095	3.5
113.09682	2.4
117.07047	2.8
119.08575	12.7
121.10153	27.5
123.11699	25.1
124.99998	3.7
127.03912	11.2
129.05511	3.8
131.08566	9.5
133.10115	18.1
134.34569	2.2
135.11691	11.7
137.13280	9.5
145.04988	8.6
145.10081	3.6
147.11649	13.7
149.13281	10.4
151.14931	3.5
161.13263	10.8
163.14786	9.3
175.14815	7.3
184.07336	100.0
189.16302	3.5
203.96448	1.9
231.17715	2.1
243.21072	2.1
245.22685	9.4
261.22086	11.0
263.23679	17.2
279.23193	7.2
305.24640	2.8
317.24933	4.4
347.25717	21.0
353.24866	9.1
371.25952	21.2
389.26907	31.3
407.27982	25.2
425.28952	87.0
534.35553	15.9
561.60712	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	534.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08135	2.1
66.60440	2.1
86.09704	3.5
91.83040	2.3
98.85751	2.0
104.10730	14.0
109.79381	2.4
124.99973	2.6
142.68898	2.2
156.51399	2.7
184.07361	19.1
265.04205	2.5
306.64194	2.9
403.46014	2.7
429.82523	2.6
431.27789	9.1
447.27167	41.2
459.47913	2.4
534.33960	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	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	13.0
57.03455	4.6
57.07077	17.3
61.02925	3.7
61.90565	2.2
63.67797	2.3
67.05515	58.8
69.07076	31.2
71.08626	5.6
79.05499	14.3
81.06606	4.3
81.07063	96.8
83.08624	24.8
85.02904	4.7
85.10129	2.4
88.19966	2.7
91.03999	2.9
91.05484	10.9
92.70216	2.4
93.07052	23.1
95.08612	92.1
97.06515	4.1
97.10170	14.0
99.08105	3.1
104.10786	3.5
105.07037	10.1
107.08604	18.1
109.10160	57.1
111.11739	2.8
119.08585	18.9
121.10149	34.9
123.11726	25.8
133.10158	24.0
135.11711	16.0
136.36642	2.4
137.09662	3.6
137.13263	16.2
147.11716	11.1
149.13225	19.5
151.14856	3.8
151.91670	2.4
161.13280	15.5
161.54256	2.3
163.14844	12.2
165.16435	4.0
169.70016	2.7
175.14862	14.2
179.17952	6.2
184.07262	3.6
189.16492	3.4
210.76303	3.1
245.22636	55.4
263.23715	100.0
293.16061	2.4
337.27319	70.5
339.39343	3.0
355.28421	42.5
499.32578	10.8
534.35614	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	534.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19205	3.2
56.42334	2.9
60.08165	6.9
62.51850	2.9
66.49638	3.2
86.09718	39.3
92.18410	5.3
104.10752	84.9
110.55444	3.7
125.00006	14.0
184.07372	100.0
199.01990	3.7
278.10580	3.9
534.31885	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08167	5.0
66.24783	0.9
74.05959	0.9
86.09715	22.9
104.10741	4.5
116.18135	1.2
120.54163	1.0
125.00012	9.6
131.85480	1.3
148.33873	1.1
157.45146	1.2
184.07355	100.0
296.20163	1.3
499.09058	1.1
516.30768	18.2
529.87189	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66733	0.3
55.14623	0.3
60.08175	5.7
71.07370	0.4
74.18732	0.4
75.24561	0.3
81.07066	0.4
86.09713	24.2
98.60173	0.3
104.10770	3.4
125.00004	10.2
132.85966	0.3
146.78204	0.4
147.93851	0.4
155.22635	0.4
180.16666	0.4
184.07346	100.0
230.10373	0.4
281.29141	0.4
289.30161	0.4
500.63071	0.5
516.30908	0.9
534.31921	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45459	0.3
58.94168	0.3
60.08177	4.8
67.05475	0.3
71.07383	0.6
81.23236	0.3
86.09710	22.5
88.11789	0.3
92.17809	0.6
104.10739	2.0
125.00002	10.4
184.07344	100.0
434.23190	3.1
439.30292	0.3
439.57550	0.3
468.39801	0.3
516.30579	1.1
534.31921	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	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78049	0.5
55.05528	0.6
57.85869	0.5
59.95593	0.5
60.08176	10.3
64.97531	0.5
65.65561	0.5
67.05516	0.7
71.07368	2.7
83.59962	0.5
86.09715	33.0
93.07052	1.0
104.10756	56.3
125.00002	15.6
142.05693	0.5
184.07355	100.0
213.24538	0.6
214.04155	0.5
229.15062	0.5
341.04065	0.5
434.23102	12.5
445.85291	0.6
516.30634	3.0
534.31915	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	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.9
67.46669	0.4
70.06607	1.0
72.08137	1.7
84.08131	1.9
92.91373	0.4
98.06054	0.4
107.44225	0.4
137.49281	0.4
151.47536	0.4
160.07578	33.2
161.08369	0.5
170.09674	0.9
174.09120	4.9
174.14876	0.6
186.09146	100.0
187.09926	44.9
200.10721	3.1
201.11484	0.8
217.13434	3.9
218.14143	42.6
232.15718	1.0
274.20227	1.9
431.25555	4.0
447.24936	3.2
460.85400	0.4
475.24399	53.0
490.32590	0.9
534.31805	38.4
541.63251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42066	0.8
57.08254	0.7
60.08175	12.1
61.60058	0.8
65.35627	0.8
67.05486	0.8
71.07362	2.0
79.30794	0.9
86.09709	40.6
104.10751	85.8
110.55268	0.9
125.00004	18.3
137.30437	0.9
161.92757	1.1
175.22517	0.8
184.07344	100.0
191.67801	0.8
230.27666	1.0
346.12030	0.9
425.08688	1.1
429.97665	0.9
434.23050	5.8
516.30835	5.7
534.31866	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.8
56.41038	0.7
58.06606	1.6
68.27893	0.6
70.06600	6.2
71.88565	0.7
72.04520	1.0
72.08160	13.3
72.82059	0.7
81.07099	0.8
84.08140	3.9
85.02924	0.9
92.17863	0.7
95.08624	1.0
99.06860	0.8
100.07624	43.9
101.35326	0.7
112.11269	4.8
114.09190	3.6
114.10281	1.7
119.08616	1.4
120.08134	0.7
123.04462	1.4
123.60293	0.8
129.13902	1.3
131.04944	0.8
139.12349	0.8
153.05472	61.7
163.03937	8.4
174.31837	0.8
174.59810	0.7
195.06641	6.4
220.09709	1.7
222.11258	1.3
232.46300	0.9
233.15404	4.2
237.10138	0.7
242.09415	1.0
251.14137	1.2
251.16531	2.8
252.12308	92.7
266.13870	7.8
283.16556	0.8
284.10269	2.9
323.19711	4.4
340.22491	3.9
414.22510	2.8
500.28708	0.9
516.26300	0.9
525.24988	0.8
534.28229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19769	0.7
53.03958	0.9
53.26050	0.8
53.65481	0.8
62.40899	0.8
67.05520	1.1
69.03426	5.0
79.05489	9.1
81.03426	1.1
81.07061	58.7
83.04984	10.0
85.02889	4.2
91.05494	1.9
93.07045	8.6
95.04963	8.4
95.08607	11.0
97.02882	1.3
97.06522	4.7
102.77730	0.9
105.01839	2.0
105.07026	12.6
107.04963	10.6
107.08592	42.1
109.02884	1.6
109.06512	24.3
109.10165	2.2
111.04331	1.0
111.08081	2.0
117.91717	0.9
119.08576	7.9
121.06503	4.7
121.10144	2.0
123.08049	4.5
125.09564	2.3
127.03900	1.6
131.08566	4.9
133.06512	1.7
133.10106	9.0
135.08054	1.9
137.09688	1.1
139.07521	1.0
142.07794	1.7
143.08508	2.0
145.10100	13.6
147.08017	3.8
147.11682	11.2
149.09644	3.9
153.09062	5.1
155.10670	1.9
157.10126	10.8
159.11719	2.1
161.09607	35.5
161.13277	2.1
163.11179	12.2
171.11626	2.0
173.13274	5.5
175.11182	36.4
182.10753	1.1
187.14824	2.4
189.12732	1.8
191.14305	1.2
193.12267	1.4
197.13199	1.8
215.14334	5.9
233.15356	100.0
249.05646	1.0
251.16415	30.2
309.43723	1.0
443.59415	1.0
499.21588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.2
58.06602	1.7
69.03431	1.5
70.06596	26.5
72.08158	20.6
81.03450	1.1
84.08161	3.8
85.02908	2.9
85.19492	0.9
87.00857	1.3
91.05512	1.2
93.07034	1.1
95.04967	1.6
97.02900	1.0
97.06506	1.5
99.04499	0.8
100.07616	5.6
107.08577	1.3
109.02876	1.8
109.06513	1.1
110.09701	6.7
112.07611	0.9
112.11221	6.6
113.07143	4.1
116.23379	0.8
119.08587	5.7
121.10093	1.0
123.04435	18.2
127.03922	1.7
129.13922	1.1
131.08572	1.4
133.10155	1.8
135.08064	1.6
135.76939	0.8
136.07587	1.1
145.02818	1.0
145.10162	1.7
147.08089	4.1
149.09663	4.8
153.05511	4.9
155.11789	31.2
157.10112	1.3
159.08224	0.8
159.11736	1.1
163.03944	3.4
163.11269	0.9
165.05464	22.6
165.09129	7.3
167.07013	6.2
168.07449	1.6
168.53738	0.9
168.79260	1.0
172.14465	7.1
173.13229	1.6
174.45810	0.9
175.11246	1.8
177.05502	1.2
178.02707	5.8
179.10701	3.4
185.13322	1.3
187.14777	1.2
193.04971	59.5
194.08165	0.8
197.13452	0.9
203.14439	1.8
215.14378	3.2
218.08179	4.2
219.08952	1.0
220.09694	5.8
221.15550	1.5
222.11253	100.0
233.15338	8.7
236.12831	16.2
250.10733	27.0
251.16386	22.6
252.12250	8.4
253.15623	1.1
264.12390	0.9
291.17148	3.4
293.18610	14.3
310.21274	18.5
336.19379	1.2
470.22897	1.5
470.56726	0.8
470.71201	0.8
499.22324	1.7
502.25485	75.1
525.02692	1.0
534.28284	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05515	4.5
59.05011	1.0
62.23432	0.6
69.03444	1.0
69.07066	5.7
70.06588	0.8
72.08154	0.7
79.05510	1.0
81.03450	0.9
81.07063	1.1
83.04981	4.4
85.02908	6.9
85.06577	0.6
86.09737	1.1
87.00849	1.0
91.05500	1.1
93.07050	2.8
95.04984	0.7
95.08606	1.6
97.02889	1.0
97.06535	19.9
99.04450	1.0
105.01881	2.7
105.07030	3.6
107.08575	4.7
109.02863	1.6
109.10179	1.3
111.08099	0.8
115.07536	1.4
117.07064	0.8
119.08606	1.0
121.10160	4.6
123.08034	0.9
127.03901	5.8
131.08595	4.5
133.10126	3.1
135.08043	3.1
137.06018	1.0
137.09648	4.4
139.07552	0.8
145.04927	1.1
145.10153	3.3
147.11682	1.2
149.09628	63.9
151.11154	1.2
157.10207	1.1
159.02881	1.2
159.08096	0.8
159.11705	0.7
161.09624	32.9
163.07593	1.3
167.10703	0.9
173.13278	2.8
175.11121	1.0
177.09142	9.2
177.12727	4.5
179.10683	25.2
179.12247	1.2
187.14836	2.9
191.10780	0.8
191.14362	2.5
195.10080	0.7
205.15898	1.4
215.14365	4.5
233.15388	27.3
244.20616	0.7
251.16429	100.0
322.50815	0.7
499.21777	15.9
534.25751	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	534.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
53.44006	0.5
53.65189	0.4
55.01861	0.6
55.05517	5.2
59.76176	0.5
67.05491	3.2
68.04465	0.5
69.03427	5.7
71.04990	1.3
72.08152	0.6
73.02895	1.3
74.20012	0.5
79.05494	1.2
81.03429	5.1
81.07051	5.4
83.04984	4.6
85.02908	9.6
85.13322	0.5
87.00826	2.7
91.05473	1.2
93.07041	4.0
95.04971	6.1
95.08610	5.2
97.02894	2.8
97.06533	3.3
98.83154	0.5
99.04440	3.0
105.01897	1.0
105.07011	3.7
107.04921	0.7
107.08599	4.8
109.02888	5.8
109.06534	2.9
109.10162	7.2
111.08091	0.7
113.32973	0.6
114.10253	0.9
117.06939	0.6
119.08578	54.4
121.06498	0.9
121.10166	1.7
121.10940	0.7
123.08081	1.0
127.03905	7.5
131.08578	2.3
133.10097	5.7
135.08058	4.0
137.09590	4.3
143.08569	4.0
145.04956	2.8
145.06558	0.6
145.10168	4.4
147.08076	4.6
147.11717	0.9
149.09624	3.0
151.11162	0.7
155.08475	0.7
157.10139	5.6
159.02859	5.1
159.08078	0.9
159.11670	3.7
161.09641	2.4
163.11246	0.8
165.09102	2.5
167.07082	2.4
169.10133	0.8
169.35014	0.6
171.11667	0.8
173.09636	1.3
173.13228	2.2
175.11171	3.9
177.05600	0.6
177.85869	0.6
179.10669	1.3
185.13242	6.4
187.14815	2.8
189.12709	1.0
191.14282	1.3
197.13271	3.9
203.14299	2.9
205.15909	0.8
207.13863	2.7
214.60921	0.6
215.14281	9.6
221.15343	0.8
222.11211	0.7
233.15361	100.0
235.17006	0.8
251.16418	16.8
446.48215	0.7
499.21854	9.4
534.26050	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	534.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62878	0.6
55.05509	5.7
60.47898	0.6
69.03436	1.0
70.06606	0.9
81.03439	0.9
81.07059	1.5
83.04986	3.4
85.02914	1.2
91.05451	1.0
93.07019	2.8
95.04979	2.5
95.08616	1.5
97.02909	1.2
97.06521	0.9
99.04427	0.8
105.07030	1.5
107.08612	4.7
108.38187	0.6
109.02887	1.1
109.06546	1.1
119.04977	1.1
119.08572	11.3
121.06493	1.1
121.10139	1.6
123.08140	0.7
125.05971	0.9
127.03914	1.5
129.06987	0.9
131.08557	3.1
133.06497	1.1
133.10114	5.0
135.08028	4.1
137.09618	1.7
143.08588	3.4
145.10127	1.6
147.08069	14.1
147.11711	1.7
149.09624	12.6
151.11180	3.7
157.10144	5.7
159.08060	1.0
159.11700	3.0
161.09612	3.8
163.11157	2.5
165.09113	33.0
167.10747	0.8
173.13321	1.2
175.11188	9.0
175.14848	0.7
179.10661	11.9
185.13251	11.8
187.14886	0.8
203.14313	10.7
215.14391	4.5
221.15363	9.9
233.15373	12.4
251.16405	100.0
357.13440	0.8
420.33780	0.8
499.21854	1.5
504.18420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.1
65.89833	0.3
69.03442	0.5
69.07080	0.4
70.76370	0.3
71.04992	0.6
72.19514	0.3
79.05526	0.4
81.03430	0.5
83.04974	1.4
83.18781	0.4
85.02915	0.7
87.00833	0.5
91.05464	0.6
93.07043	2.6
95.04981	3.7
95.08604	0.5
97.02900	0.5
97.06535	0.3
105.07030	1.2
107.08584	3.7
108.51588	0.3
109.02853	0.6
109.06532	0.8
109.10172	0.6
117.07046	0.4
119.08559	1.6
121.10141	1.4
123.08067	0.4
123.11784	0.3
125.05968	4.0
127.03930	1.3
131.08571	2.3
133.10132	2.0
135.08076	4.3
137.05986	0.4
137.09612	1.6
145.10117	1.9
147.08044	0.4
147.11668	0.5
149.09624	73.2
151.11203	1.8
157.10162	0.4
159.02864	0.4
159.08102	0.4
161.09604	5.4
163.07597	0.4
163.11243	0.7
163.14833	0.4
169.59027	0.3
171.11714	0.3
173.09679	0.5
173.13261	1.5
175.11172	0.5
176.28633	0.3
177.09096	2.5
179.10661	14.9
180.70523	0.3
187.14786	1.5
191.14383	0.4
197.11601	0.7
197.13226	0.3
205.15886	0.6
215.14406	2.2
233.15346	9.5
237.92998	0.4
251.16414	100.0
284.95496	0.3
499.21561	1.2
517.22290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73309	0.6
50.84930	0.4
51.33820	0.4
52.80743	0.4
56.96298	0.6
56.96571	13.5
63.62714	0.4
72.08139	0.8
78.08061	0.5
81.54553	0.4
82.48423	0.5
93.41696	0.4
97.77116	0.5
109.58488	0.5
120.08112	18.0
132.48572	0.5
142.15446	0.6
163.00653	1.1
165.02240	3.9
166.08638	8.7
172.81352	0.5
176.03856	6.2
178.05402	41.4
181.01642	0.8
183.03319	4.8
192.03310	2.3
194.04922	1.1
196.06453	10.9
201.04500	1.5
204.03314	16.3
222.04391	98.7
240.05437	39.5
252.08780	0.6
278.05643	0.8
333.90881	0.5
342.75485	0.5
351.10223	2.0
352.42099	0.5
369.11243	100.0
387.12277	10.1
534.12616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58406	0.5
59.07652	0.6
60.05642	0.8
68.54884	0.6
69.34027	0.7
70.06582	2.9
70.94076	0.7
72.08164	14.8
84.08118	1.0
89.93485	0.6
97.07668	1.1
98.06020	0.9
109.72283	0.8
114.10294	21.3
115.08698	7.6
138.10286	1.0
148.72720	0.7
163.03903	2.9
186.81335	0.7
227.08104	1.2
228.06584	3.4
230.02666	1.0
259.05289	2.7
260.03760	14.1
283.05276	0.7
284.03766	0.9
285.06793	1.4
299.13937	3.8
299.55502	0.7
300.07996	5.8
301.06451	6.0
319.07468	1.1
329.06009	6.7
329.09299	1.0
331.11121	1.2
341.16156	5.6
342.14041	0.8
347.06790	2.7
355.10965	1.2
358.08459	1.0
362.08026	1.0
371.11639	4.1
371.15463	3.1
372.13815	6.6
373.13300	2.6
397.13333	5.4
400.13174	1.2
404.09021	5.4
407.12350	0.7
414.15997	14.8
442.15277	1.1
474.18106	0.7
477.18683	1.1
534.21228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05760	0.4
58.06615	4.2
59.07388	0.4
60.08175	49.0
69.03412	0.4
69.07072	2.3
71.08616	0.5
72.08150	2.8
78.84470	0.5
84.08155	4.1
86.09714	23.1
91.05515	0.4
91.61301	0.5
95.04967	0.6
97.06529	7.8
105.92913	0.5
110.06053	0.8
112.07571	0.5
114.09160	11.6
114.12826	0.6
124.07578	0.7
131.11781	0.8
138.09154	0.7
141.10263	0.8
145.10202	0.8
149.05965	1.2
152.14363	0.7
155.08199	1.2
161.05977	7.3
163.03891	0.7
167.08162	0.7
169.09813	0.8
173.09595	1.9
173.16539	1.9
175.03908	1.2
180.13817	5.1
191.10629	5.9
192.06544	0.8
197.16489	0.6
202.12292	0.7
203.10699	10.8
208.13368	8.1
220.13306	2.1
222.11186	0.6
228.16016	0.6
230.11784	0.7
231.10286	0.6
246.11334	0.6
247.07166	0.9
248.12798	2.1
303.13303	1.0
316.19040	2.5
329.06546	1.1
344.18655	0.6
355.16013	0.5
375.26440	5.5
533.37006	100.0
558.92670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07281	0.1
58.06612	2.5
59.97635	0.2
62.04996	0.2
69.07069	1.9
70.06592	0.8
72.08158	0.4
72.34859	0.2
76.74846	0.2
84.08152	0.4
85.08928	2.2
86.09718	0.4
91.43781	0.2
92.17865	0.3
114.12809	100.0
138.14198	0.2
153.48203	0.2
228.54236	0.2
232.06004	0.2
375.22928	0.3
533.33350	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	533.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41156	0.4
58.06597	4.2
59.07366	1.2
60.08171	47.4
69.07059	2.8
72.08138	2.8
84.08131	3.7
85.02910	0.5
85.81865	0.6
86.09707	20.6
95.04977	0.7
97.06528	9.8
106.54309	0.6
107.04948	0.6
108.55684	0.7
112.07612	0.7
114.09171	11.3
121.63621	0.6
131.11792	0.9
133.06477	1.0
136.78741	0.6
141.10223	1.2
149.05966	1.2
149.35652	0.6
155.08098	0.7
161.05960	7.5
169.09717	0.7
170.09651	0.9
173.09674	0.9
173.16504	1.4
180.13866	4.5
189.09041	0.7
191.10632	7.3
192.06627	1.1
202.12386	2.3
203.10651	10.2
203.73279	0.8
208.13361	7.6
220.13335	3.5
223.14423	0.7
231.10184	1.0
247.07164	0.8
248.12881	2.5
263.46909	0.6
285.07657	0.9
303.13589	0.9
313.75171	0.7
316.19168	1.4
375.26453	3.6
403.25757	1.0
442.75452	0.6
509.99155	0.6
533.36951	100.0
555.90717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17896	0.3
55.05516	0.7
58.93086	0.3
60.04524	0.4
70.06604	4.4
72.04528	3.5
72.08155	7.4
72.70348	0.3
79.05513	0.5
79.34255	0.4
80.05000	0.5
81.07060	0.8
84.08150	40.5
88.78940	0.3
91.04245	0.3
91.05473	0.6
93.07053	0.7
98.06062	2.9
98.09716	0.9
105.07050	1.7
107.08605	1.7
107.38099	0.4
109.10163	0.7
112.07600	0.7
112.86246	0.4
114.09174	43.2
115.08688	2.7
121.10149	0.8
123.91302	0.3
125.09891	0.4
125.10787	2.2
127.08657	2.8
131.11797	0.9
133.10135	2.2
134.09676	1.9
143.11809	48.4
144.11348	0.4
148.11093	0.5
150.12762	1.4
157.09724	1.9
157.13362	1.6
167.06979	0.8
167.87561	0.3
187.07420	0.4
193.13348	2.8
197.13910	0.8
204.17529	0.8
222.18582	0.5
247.18227	0.4
248.16489	0.6
263.21252	3.2
281.22348	1.7
299.23441	0.6
305.23154	0.4
316.15753	0.4
317.24380	0.8
341.25729	0.6
359.26563	2.8
387.25064	1.7
429.27014	5.4
491.25897	3.9
501.22531	0.6
533.28259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2765
Annotation	Roridin A
Peak:m/z	Relative Intensity
54.61106	0.6
57.92585	0.5
73.35162	0.6
75.02638	0.6
86.80994	0.6
117.86095	0.6
143.51474	0.6
144.08087	14.1
158.09688	1.0
159.86708	0.6
160.06586	0.6
160.07578	31.7
170.09651	56.3
171.10432	10.6
174.09142	0.9
186.09149	90.0
187.09935	26.5
201.13916	3.5
202.14685	5.6
202.88570	0.6
213.15657	0.7
217.13313	4.6
218.14157	14.0
222.49289	0.7
533.27631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68304	0.4
55.05508	0.8
56.31559	0.4
70.06612	4.1
72.04518	2.3
72.08157	6.6
81.07047	0.5
84.08148	35.6
90.00312	0.4
91.05476	0.5
93.07013	0.7
98.09692	0.8
101.74277	0.4
105.07020	1.8
107.08592	0.8
108.53098	0.5
108.53825	0.4
109.10098	0.5
112.07610	1.8
114.09170	39.5
115.08700	2.4
121.10171	0.5
125.10769	0.8
127.08660	3.8
129.01820	0.8
129.06619	0.8
131.11780	2.2
133.10136	3.3
134.09669	0.6
135.11699	0.4
143.11803	47.0
145.02859	2.4
148.11243	0.5
149.09627	0.6
150.12804	2.6
151.03824	0.5
157.09721	1.8
157.13324	1.0
167.07039	16.7
177.05457	5.5
193.13400	3.5
201.05437	0.9
204.17554	0.9
211.09703	2.7
243.25798	0.4
263.21143	3.9
281.22284	2.2
299.23138	1.8
303.06305	0.5
317.24420	2.6
342.23929	0.7
359.26489	2.0
369.12619	0.9
380.07452	0.4
401.26660	2.4
425.28046	0.6
443.28510	8.5
473.25629	1.8
491.25833	2.0
533.28229	100.0
559.53540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2724
Annotation	Roridin A
Peak:m/z	Relative Intensity
58.92231	0.3
61.33541	0.3
67.84543	0.3
90.73685	0.3
116.89068	0.4
153.63695	0.4
240.11523	0.4
338.04297	0.4
377.46802	0.3
483.22849	0.4
515.23999	0.4
533.27216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2724
Annotation	Roridin A
Peak:m/z	Relative Intensity
51.98865	1.7
61.86266	1.9
62.86151	1.7
71.17532	1.8
87.60847	1.6
106.45207	1.8
196.00571	1.9
222.94298	1.7
299.71457	1.8
375.01010	1.9
409.30481	2.0
481.10727	2.0
533.27179	100.0
557.26971	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	533.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51727	0.5
53.00298	0.5
56.15014	0.7
60.05643	0.8
67.46104	0.6
70.06593	1.0
72.08159	18.8
78.41374	0.6
79.84706	0.7
89.10770	0.9
97.07641	3.6
98.06042	3.9
114.10297	26.8
114.11087	1.3
115.08722	4.4
125.07074	0.6
131.04852	0.7
137.05968	0.8
144.08089	3.9
153.05481	0.9
157.10832	3.3
161.05954	6.1
163.03864	0.9
165.05441	2.6
167.07039	15.1
169.04100	0.6
170.09647	14.4
171.10408	1.2
177.05450	1.4
179.06932	0.9
186.09291	0.7
191.07047	13.3
192.06213	1.2
192.07825	21.6
192.09575	0.7
193.04970	68.0
193.08629	2.8
202.14653	2.5
225.16533	0.8
232.09706	0.7
263.13873	2.8
264.12350	2.7
279.58115	0.7
282.15985	0.7
306.14563	2.6
311.09290	1.3
315.12158	1.5
323.17227	5.3
331.11722	4.5
343.11749	12.8
358.51660	0.6
486.22189	0.7
533.26062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2246
Annotation	PONATINIB
Peak:m/z	Relative Intensity
55.05517	0.4
57.65520	0.3
60.05659	0.4
65.30971	0.3
70.06585	1.6
72.08163	31.4
73.04026	0.5
73.06457	0.5
74.07371	0.3
81.03397	0.3
85.02913	0.4
87.07977	0.5
89.10801	0.5
90.09182	0.4
90.67062	0.3
97.07663	5.5
98.06071	3.0
100.08739	0.8
105.39143	0.3
107.04945	1.7
113.10789	0.5
114.09100	1.6
114.10295	48.1
115.08685	7.3
130.12077	0.5
131.12955	0.7
135.04408	1.4
137.06036	0.5
152.68077	0.3
157.10800	0.3
163.03899	7.9
164.04327	0.6
165.05461	2.3
167.07010	2.8
177.05469	0.7
193.04967	1.5
194.05272	0.4
214.06305	0.4
214.32161	0.3
217.05035	1.2
220.09772	2.5
221.10069	2.5
227.07016	11.7
234.11064	0.3
235.07434	0.4
246.89345	0.4
253.08556	3.7
257.07813	0.4
263.07111	1.6
269.08243	0.6
271.09607	7.1
279.06763	0.6
281.04984	0.6
281.08102	14.3
294.16650	0.5
295.09793	0.3
297.07599	4.8
299.09204	1.8
313.06985	0.3
313.10693	1.9
315.08698	0.6
322.10992	0.5
325.07025	8.5
325.10577	0.6
343.08212	0.4
369.18250	0.4
370.16440	0.6
383.19608	4.8
384.18054	5.7
401.20737	0.4
411.19110	4.4
412.17624	5.3
414.15298	0.5
426.20316	3.5
436.18768	0.4
443.22900	4.7
454.19824	2.7
456.16650	1.5
471.22443	4.7
473.19498	1.5
474.17725	1.7
498.19333	0.3
501.23770	4.4
533.22375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
61.02937	1.7
69.03429	6.1
70.06593	2.1
72.08149	2.1
76.59138	0.9
79.05488	5.1
79.64164	0.9
81.03434	1.5
85.02914	16.8
91.05511	1.1
92.88242	1.1
94.80744	1.1
95.04972	1.3
97.02908	6.7
105.07032	7.0
107.04959	21.4
109.02891	1.0
112.36159	1.0
114.10291	1.2
119.08592	1.7
123.04418	1.8
129.07005	5.1
131.04936	2.1
132.05748	2.2
133.06506	7.7
136.31178	1.1
137.05998	1.8
145.02823	1.1
147.08055	5.4
150.13029	1.0
152.04765	1.6
153.05449	1.3
155.04971	1.2
156.05672	1.1
159.08067	5.2
160.05226	2.0
161.05972	9.3
163.03882	6.0
167.07034	100.0
168.07373	1.0
169.06459	1.6
171.08116	1.8
175.07542	48.0
185.06033	1.7
187.07561	18.1
189.09053	1.0
191.07005	8.4
193.07024	1.5
193.08633	15.9
199.07516	15.6
201.05484	4.6
201.09109	2.5
203.08499	1.7
206.07385	1.4
215.08635	1.6
217.08459	1.2
218.07251	1.6
221.09750	1.7
233.09584	6.2
234.06679	1.0
246.06671	1.0
249.09082	6.0
250.15268	1.6
261.09073	9.3
263.10474	1.1
271.07730	1.1
277.08682	2.2
278.09415	1.7
281.11774	8.0
289.08630	5.9
290.09293	2.2
291.10242	4.4
293.11615	1.7
294.08731	1.6
295.09747	1.1
306.08795	2.0
306.35278	1.0
307.09506	4.2
309.11313	7.3
321.11105	9.8
322.12140	1.7
325.14410	1.8
326.11588	4.2
341.13895	28.1
353.13843	27.9
355.15576	7.7
385.24292	1.2
533.27271	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	533.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50550	0.6
57.08878	0.6
66.42602	0.6
68.34118	0.6
69.03423	1.0
72.08150	1.1
75.52927	0.6
79.05498	3.7
85.02906	4.1
85.23105	0.6
89.10751	0.8
90.29943	0.8
91.00906	0.6
91.05474	1.4
92.17836	0.7
97.02858	1.0
105.07063	4.4
107.04968	12.5
115.05479	1.1
118.30528	0.6
119.00552	0.6
119.08564	0.9
123.04452	1.2
124.05187	2.3
125.06025	0.7
127.03877	0.7
129.06999	7.0
131.04927	3.9
133.06508	5.8
137.06004	0.6
145.06506	1.0
147.04431	0.7
147.08037	3.8
149.06029	1.2
152.04738	0.9
153.05368	0.9
157.06548	0.6
159.08018	4.3
161.05989	9.6
163.03946	4.9
164.04294	0.8
167.07040	100.0
171.08072	1.3
172.05190	1.5
173.05920	0.9
175.07536	19.4
177.05482	2.4
179.07056	0.7
185.05980	0.7
187.07550	21.6
189.08983	2.6
191.07048	8.9
193.08511	0.7
199.07605	8.8
203.08688	1.1
205.08505	1.2
206.56331	0.7
209.08073	2.4
217.08615	1.2
218.07138	1.2
221.09641	3.2
229.14006	0.7
231.08014	0.6
233.09634	3.1
245.06009	0.9
249.09081	5.3
250.09718	1.2
251.06842	0.8
260.08325	0.7
261.09180	4.9
263.07080	0.9
266.09467	0.8
274.05933	0.8
277.08643	3.2
278.09369	1.2
281.11679	8.6
289.08603	3.5
290.09558	0.7
291.10190	0.8
293.11850	3.0
306.08908	1.5
307.09525	2.4
309.11295	5.3
310.12006	0.8
311.09210	0.8
321.11212	5.3
322.12463	0.9
326.11417	2.4
341.13840	38.8
353.13858	22.2
371.14810	6.4
452.20511	0.9
479.23569	0.7
532.73376	1.3
533.25458	0.9
546.38330	0.7
553.04413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82381	0.5
68.05003	0.6
70.06593	4.1
72.08165	53.9
79.72958	0.6
84.04518	0.8
84.08144	1.1
85.02910	0.9
86.06095	4.1
86.09701	3.1
89.10799	13.4
97.06561	0.9
98.06046	1.5
109.02985	0.6
110.07178	1.3
113.66010	0.7
114.09219	0.9
114.10299	0.9
119.32023	0.6
128.07115	0.7
137.02342	1.0
137.05829	0.8
138.78879	0.6
147.04443	0.8
179.03439	1.4
185.12897	1.1
199.14392	6.5
203.03384	10.0
253.04948	20.4
255.02933	1.0
255.06575	2.1
267.06500	3.1
271.77957	0.6
277.05051	2.6
279.06497	1.0
281.04428	7.7
283.02383	2.3
293.04520	2.3
295.06024	6.1
297.03946	13.8
299.05551	1.4
302.16901	0.8
305.04544	13.2
305.08047	1.2
311.05438	5.3
321.03961	31.5
323.05573	7.5
325.03372	5.6
337.07053	1.1
339.04807	4.7
349.03461	24.4
353.06699	0.7
363.04865	0.9
367.04468	4.3
371.07620	1.0
377.03140	1.2
381.05795	5.4
533.17712	100.0
533.27454	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	532.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86147	1.3
57.07087	73.4
57.68150	1.2
71.30418	1.4
72.60897	1.6
72.79527	1.3
80.82214	1.3
87.04472	13.1
89.06036	100.0
89.06586	3.3
91.05465	2.0
92.18257	2.5
93.07050	9.5
95.04977	1.8
119.04913	2.1
121.06509	57.1
121.10116	1.6
133.08600	41.4
135.08008	2.8
135.11725	1.9
147.08035	18.5
149.09648	2.5
159.11629	2.4
163.11201	2.6
165.09160	17.0
177.11232	7.0
177.12720	3.5
209.11691	1.7
233.18979	31.8
277.21634	18.0
321.24350	3.6
403.23355	26.9
515.35809	98.4
532.30396	2.7
532.38483	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94784	0.8
53.17767	0.7
53.83373	0.7
56.56057	0.7
57.03425	0.7
59.41600	0.7
59.44798	0.8
69.03431	1.1
69.34972	0.7
73.02903	4.2
81.03426	1.0
84.57828	0.8
85.02899	5.6
97.02911	3.0
103.08728	0.8
127.03908	1.3
143.01834	1.7
146.02339	1.7
152.02303	1.8
155.02921	1.2
158.99680	3.0
161.02892	3.5
170.03346	0.9
170.99574	3.1
182.03375	7.8
185.03038	1.0
191.03882	7.0
198.38042	0.8
200.04410	3.7
201.00684	1.4
219.01794	3.7
243.01797	1.7
245.05074	1.4
261.02942	1.6
269.05060	2.0
277.00076	1.0
281.07007	1.9
327.57404	0.9
333.80685	0.9
362.09717	32.6
362.59784	1.1
533.12701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	12.3
77.25082	1.3
101.40379	1.4
155.94737	1.7
184.75549	1.8
188.80688	1.7
263.04715	23.1
319.10962	49.3
375.17270	43.2
431.23517	10.3
487.29779	28.6
532.35413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27561	12.8
55.05506	13.4
58.46935	10.2
67.05508	58.9
69.07071	13.3
71.08829	11.9
71.67052	10.5
72.72231	9.8
79.05506	13.2
81.07049	52.6
85.02898	15.2
85.06535	12.6
86.09702	14.6
91.05444	15.9
93.07045	73.8
95.08585	53.9
97.02887	17.4
105.07001	18.5
105.15067	12.6
109.10160	27.9
119.08567	28.5
121.10104	26.3
131.08510	16.2
133.10114	25.4
135.11670	25.2
147.11671	16.3
149.13216	14.6
182.44102	13.5
184.07352	100.0
261.22144	24.2
268.59027	15.8
394.00256	13.2
423.27298	97.2
517.83044	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	532.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.6
57.07067	2.4
67.05516	48.4
69.07071	11.6
73.28255	2.5
79.05493	24.2
81.07067	68.3
83.08638	5.1
85.02894	4.8
91.05485	12.2
91.74245	2.6
92.18421	3.7
93.07060	52.2
95.08615	57.2
97.10159	4.3
105.07046	16.4
107.08609	39.4
109.10162	33.1
112.32005	2.5
117.07053	9.8
119.08567	18.9
121.10154	43.3
123.11746	19.2
125.95924	2.9
130.41930	2.4
131.08565	21.5
133.10141	18.9
135.11723	35.0
145.10150	14.0
147.11702	11.5
149.13254	26.1
159.11638	17.5
160.04549	2.6
161.13281	13.6
163.14810	15.5
173.13264	16.0
175.14934	3.9
177.16330	3.7
187.14812	4.8
201.16600	2.9
233.22592	3.0
243.21078	30.5
261.22156	98.5
275.66901	3.1
335.25812	15.3
353.26849	100.0
497.31171	3.8
512.46161	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	532.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65472	6.1
55.05511	12.7
67.05515	73.5
67.41134	7.9
69.07072	7.6
79.05507	32.5
81.07066	99.3
82.67591	7.1
85.02912	8.2
85.18849	7.5
89.83980	8.2
91.05502	15.9
93.07040	47.7
93.93699	7.8
95.08617	89.7
104.10741	14.3
105.07012	13.3
107.08603	62.4
109.10173	58.5
119.08608	17.5
121.10117	65.4
123.11716	11.9
123.68066	7.7
130.72183	7.3
131.08575	28.9
133.10112	12.7
135.11685	44.9
145.10175	16.4
147.11751	11.1
149.13257	45.3
150.51569	8.4
159.11720	15.9
161.13248	13.0
173.13269	27.3
189.55482	8.5
216.71817	7.9
243.21080	40.4
261.22174	86.0
280.73172	7.5
309.18756	9.1
335.25815	38.4
353.26871	100.0
481.19836	7.6
531.64697	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	532.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97179	0.7
60.08161	4.3
62.24763	0.8
86.09715	22.2
92.18410	1.0
98.62160	0.9
109.75768	0.9
125.00018	11.9
161.13107	0.9
178.13849	0.8
184.07349	100.0
191.73102	0.9
238.19620	0.9
254.27254	1.0
256.21387	1.4
339.37433	0.9
434.23138	1.2
532.30249	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	532.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49839	2.7
60.08153	10.9
61.52732	2.7
73.18975	2.1
79.05531	2.3
79.73581	2.7
84.05630	16.1
86.09702	39.1
92.17808	3.9
104.10745	99.1
124.99977	15.1
159.95665	3.4
184.07343	100.0
224.13885	4.5
378.20889	5.0
434.23013	6.3
529.41174	3.2
532.29822	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	532.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36340	0.9
56.25571	0.9
56.74706	0.9
58.86173	0.8
59.05008	100.0
71.04971	1.2
73.04751	1.5
73.06511	0.9
80.81178	1.0
82.71799	0.9
84.89754	1.0
91.05795	2.5
93.26278	1.1
103.07586	62.2
110.34472	1.0
119.92297	0.9
147.04732	1.0
147.10175	18.6
163.06000	5.3
175.06053	1.1
181.07077	10.1
207.08676	14.5
221.08461	6.0
239.09512	17.4
240.51242	1.2
246.57219	1.2
251.11296	6.7
263.11310	1.4
295.13901	4.3
383.18970	1.7
425.23904	6.6
532.31500	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	532.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10467	4.4
60.08158	18.2
60.41583	3.8
67.46557	4.7
68.93933	4.9
86.09715	56.7
102.20113	6.0
103.73338	4.8
104.10748	85.5
125.00005	11.5
184.07339	100.0
219.01579	5.4
532.30280	66.0
534.60333	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	532.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	0.6
69.03423	0.7
70.06595	2.2
72.08160	16.5
73.78043	0.6
75.09238	2.2
77.93363	0.5
79.59116	0.5
81.07063	1.2
84.08160	0.8
84.14915	0.5
84.84868	0.5
86.88038	0.7
88.05513	0.5
91.05423	0.5
93.07044	0.9
95.04947	0.6
107.08604	0.6
112.11230	2.9
129.13904	3.0
131.08557	1.3
133.61906	0.6
135.04442	0.7
137.22086	0.7
145.02864	1.4
145.10132	0.7
146.16545	4.9
155.11792	12.8
161.40320	0.6
163.03906	51.8
167.07008	1.2
172.14465	3.9
173.09615	1.3
178.02637	3.6
180.52530	0.7
193.04971	41.6
220.09692	100.0
231.04941	1.2
231.13809	1.0
237.12427	2.6
249.14784	0.9
264.12326	1.4
291.17072	9.3
308.19644	6.9
317.14960	0.7
334.17654	4.1
338.20764	2.4
479.32022	0.7
500.23953	75.5
532.26935	22.0
553.71356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70973	0.6
70.06588	1.7
72.08160	11.7
76.90108	0.6
81.03401	0.7
84.84427	0.7
85.02899	1.0
89.10747	0.8
93.07024	0.7
94.77138	0.8
97.07678	1.3
98.06046	1.4
100.08729	1.6
107.08563	1.0
109.02892	1.3
114.09132	1.6
114.10292	24.3
115.08689	2.9
121.06580	0.8
126.19933	0.7
131.12926	3.5
133.10117	0.9
134.84763	0.8
149.09627	29.1
152.07089	1.1
157.10846	4.6
162.05544	0.9
163.03949	1.1
164.07050	2.6
166.08678	4.6
167.07005	8.0
176.07162	6.1
177.04169	0.9
177.05557	0.8
181.08568	1.1
182.08337	0.7
191.07024	3.0
192.06551	39.0
195.62927	0.7
206.08095	1.7
207.09007	1.1
218.08134	2.8
249.14835	23.7
261.37979	0.8
275.13940	3.7
299.61676	0.8
310.10715	7.2
312.12305	3.6
317.16049	1.0
322.18839	2.8
323.19537	1.0
330.13403	4.6
342.13397	9.8
372.14539	1.8
485.24106	3.0
532.27722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	2.8
70.06580	10.2
72.08153	25.2
80.25541	1.2
84.08145	8.0
86.54774	1.2
98.06038	1.2
98.09644	1.4
100.07611	12.1
107.55750	1.2
110.09677	3.0
112.11244	14.4
114.09135	1.6
115.59304	1.4
129.13901	6.0
139.03928	1.7
147.04390	3.1
153.05504	5.4
155.11790	18.6
163.03957	6.1
165.05502	1.9
172.14461	2.2
177.05479	2.7
179.03514	1.7
193.04999	2.9
220.09689	2.6
222.11343	4.7
235.34866	1.3
236.09259	1.9
237.09915	1.8
256.09827	2.3
269.08206	1.4
281.08221	1.9
281.29538	1.3
287.09259	7.7
303.17020	2.2
309.07541	13.0
313.06964	10.2
327.08606	1.7
339.08649	2.2
354.09735	2.6
355.08316	1.6
386.16055	11.7
394.12994	1.6
411.15698	7.6
412.13879	29.9
429.16745	5.6
483.21277	2.9
500.23929	100.0
532.26642	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	532.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	1.3
70.06593	6.7
72.07807	0.9
72.08167	18.3
75.09235	3.5
84.08147	5.9
101.99204	0.8
110.09673	1.5
112.11260	3.6
113.07104	0.9
127.08686	0.7
129.13882	4.6
135.04453	1.6
145.02890	1.6
146.16521	4.1
147.04498	1.1
153.05533	1.3
155.11787	17.0
160.05563	0.8
163.03900	76.5
167.06982	1.2
172.14490	5.6
178.02638	1.8
193.04964	39.5
193.06715	1.5
220.09688	100.0
222.11212	1.2
237.12436	1.7
250.10660	0.9
264.12326	1.8
278.41791	0.7
291.17020	8.1
308.19754	5.0
320.19827	1.0
321.18207	1.4
326.27356	0.8
334.17776	3.0
338.20752	1.8
430.09174	0.8
492.08929	0.9
500.23923	79.8
532.26569	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
55.49762	0.5
56.59884	0.5
58.06602	3.2
70.06599	5.2
72.08161	21.4
73.27481	0.5
84.08150	8.0
86.37993	0.5
98.06058	0.7
98.09709	1.1
105.07038	0.7
108.90806	0.6
112.11243	29.6
113.07137	6.0
114.10272	0.6
115.99570	0.6
118.91553	0.6
129.10231	0.7
129.13873	13.9
134.31934	0.5
146.16554	0.8
147.04408	2.1
150.87212	0.5
153.05484	4.1
155.11792	34.2
161.05957	0.7
165.02875	0.5
172.14445	10.1
177.05482	0.6
209.37943	0.5
222.11282	0.8
232.13423	0.7
265.08554	1.2
269.08112	1.3
281.08087	5.9
293.08194	5.8
309.07538	20.4
311.09167	2.4
313.07047	3.7
314.90701	0.6
327.08646	4.4
336.08832	1.0
339.08432	0.9
354.09766	4.3
355.08173	1.2
411.15421	0.9
412.13733	1.0
426.15457	2.4
429.16565	4.6
482.22852	1.4
483.21481	5.2
500.23944	100.0
532.27368	8.5
558.07373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76045	0.5
58.06609	1.3
59.92034	0.6
66.72230	0.6
70.06586	1.1
72.08159	22.2
72.88841	0.7
75.09240	1.3
83.70498	0.8
84.08128	1.6
86.09677	0.8
94.82676	0.6
100.07629	10.2
105.07029	0.7
112.11240	7.9
127.36961	0.7
129.10144	0.7
129.13884	6.0
139.03967	0.9
147.04424	6.2
153.05496	3.4
155.11794	6.1
163.03926	1.7
172.14484	1.0
177.05336	0.9
208.09724	3.0
218.11725	2.9
232.09671	0.8
234.11176	1.3
269.08136	3.1
281.07986	2.5
287.09109	4.6
293.08075	3.3
309.07562	18.6
311.09186	3.4
313.07193	5.7
327.08685	4.9
339.08600	8.5
354.09668	0.8
355.08221	0.9
359.14914	0.7
361.64737	0.7
384.14465	1.5
386.15967	13.5
394.12775	1.3
411.15491	6.7
412.13928	25.5
429.16827	4.8
500.23932	100.0
532.27075	10.5
550.99097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37020	0.8
53.91549	0.7
53.96288	0.7
55.05518	11.1
69.03417	4.0
70.06589	3.3
72.08179	0.8
73.02898	0.8
81.03435	1.8
81.07047	1.8
83.04973	4.1
84.08131	1.0
85.02907	7.3
87.00826	1.6
93.07053	1.2
95.04955	0.8
95.08616	1.0
97.02904	4.3
99.04470	1.1
105.01857	3.6
105.07008	1.3
107.04911	1.0
107.08611	3.8
109.02864	3.5
109.06547	2.6
111.04451	1.8
114.09155	6.1
119.08582	5.0
121.10137	4.0
123.04408	1.0
123.08080	7.3
125.09596	1.7
127.03893	6.8
128.05942	1.1
133.06490	1.7
133.10132	1.5
135.04408	0.9
135.08066	1.6
137.09612	3.8
143.08569	1.1
145.05000	0.7
145.10097	1.8
147.08055	16.0
147.11661	1.3
149.06004	1.9
149.09612	11.4
151.03899	3.1
151.07556	6.3
156.09338	1.4
157.10150	1.1
159.02882	1.0
159.11572	1.1
161.13164	1.8
163.03899	0.9
163.11192	1.2
165.09108	88.9
167.10677	9.6
171.11710	3.5
173.09747	0.9
174.75748	0.8
175.07533	18.0
175.11189	3.3
175.14838	0.8
177.09105	34.3
177.12729	16.5
185.13274	1.1
187.11140	3.8
189.12749	10.6
191.10725	1.3
193.08611	100.0
203.14349	4.3
205.12201	1.4
209.16528	0.9
221.08022	1.1
221.15370	4.0
231.04950	1.0
231.13789	31.8
249.14851	96.4
317.46646	0.8
479.19159	4.2
497.19943	3.1
532.15771	1.5
532.23303	13.3
532.39600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08150	0.3
55.01871	0.5
55.05516	2.8
58.73865	0.4
65.60303	0.4
69.03422	1.9
72.08141	1.8
73.02909	0.5
81.03374	0.9
84.08138	0.5
85.02915	5.3
86.09702	0.9
87.00834	0.7
92.18438	0.9
93.07039	2.2
94.03219	0.4
95.04971	0.5
95.92995	0.5
97.02881	1.9
99.04446	0.9
105.01881	2.0
105.07029	1.1
107.08585	3.3
109.02874	2.8
119.08562	0.9
121.10133	2.1
123.08101	0.6
127.03865	4.0
129.01845	0.6
131.08571	0.7
133.10152	0.7
135.08069	0.9
139.10738	0.5
145.05043	0.9
145.10191	0.6
147.08028	0.8
149.09624	100.0
159.02875	1.9
159.11668	0.6
165.08981	0.6
171.11743	0.7
175.14871	0.9
177.09114	2.3
177.12820	3.6
185.13280	0.6
189.12827	0.7
195.10173	0.8
199.33047	0.5
203.14337	3.1
220.12674	0.5
231.13751	3.6
243.18904	0.5
249.14851	74.1
267.15997	0.6
309.44165	0.5
497.20541	1.8
532.23004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39200	1.7
51.74673	1.7
65.21665	1.9
67.36784	2.1
69.03436	17.4
70.06598	10.0
72.08157	13.1
79.05495	9.5
81.03408	4.1
81.07069	38.9
82.73351	2.3
83.04978	10.0
84.08146	3.8
85.02907	45.6
85.06573	2.2
87.00827	5.2
91.05498	2.2
91.27061	2.3
93.07038	15.9
95.04983	3.9
95.08614	2.9
95.32102	2.0
97.02897	10.0
97.06518	3.2
99.04456	4.7
105.01877	26.3
105.06985	19.3
107.04890	2.5
107.08590	26.9
109.02854	20.0
109.06517	22.5
109.41970	2.1
110.09657	2.3
111.04451	3.8
113.06005	3.4
119.08598	11.1
121.06543	16.2
121.10138	9.2
123.08022	3.6
125.05996	21.9
127.03912	23.1
127.07533	5.5
131.08551	13.7
133.10162	3.6
135.08102	3.4
135.11705	4.6
139.07579	3.5
143.08588	10.1
145.04991	9.4
145.10132	34.6
147.08028	9.6
147.11681	13.3
149.09631	23.1
157.10118	3.8
158.07332	2.5
159.02953	3.0
159.11726	5.2
161.09557	15.9
161.13202	2.3
163.03891	30.6
163.11134	18.6
169.08556	2.9
171.11681	8.4
173.09590	27.0
181.48535	2.3
185.13286	2.8
189.12759	30.3
191.10690	26.4
193.05032	2.5
208.03621	3.3
213.12723	3.6
216.69124	2.4
220.09711	48.7
222.11339	4.3
223.06041	10.3
231.04927	5.0
231.13805	47.6
232.72366	2.5
249.05986	10.6
249.12277	3.6
249.14845	100.0
250.10840	3.8
263.11499	2.7
291.16388	2.8
293.83490	2.7
296.74863	2.2
356.69443	2.3
387.75964	2.4
461.18552	2.4
465.10712	2.2
479.18814	9.2
497.20306	22.4
499.23068	4.8
500.23712	2.5
532.19922	39.9
532.27502	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20244	0.6
55.05524	1.3
57.16937	0.6
69.03419	2.7
69.07059	1.5
70.06598	2.8
72.08153	3.7
79.05521	4.6
81.07066	15.5
83.04993	0.6
84.08150	0.8
85.02895	2.6
91.05489	3.2
93.07042	7.5
95.04935	1.4
95.08621	4.8
97.02916	0.7
97.06535	32.6
99.04493	1.3
105.01865	1.2
105.07036	13.9
107.04968	0.9
107.08608	11.4
109.02927	1.1
109.06525	1.3
109.10158	1.5
114.10320	0.7
117.07019	1.3
119.08568	16.2
121.06523	1.3
121.10164	2.8
123.04456	1.1
123.08054	3.7
125.05981	0.8
127.03904	1.6
128.06177	1.3
129.06987	3.1
131.08571	6.1
133.06450	1.0
133.10127	10.5
135.08026	1.1
135.11662	2.7
137.09618	1.0
142.07756	1.4
143.08575	18.9
145.10133	42.1
147.04440	0.8
147.08020	1.6
147.11679	1.5
149.06047	1.1
149.09634	3.0
151.07550	0.9
153.09114	0.8
155.07115	1.1
155.08633	1.1
156.09384	3.5
157.08844	1.3
157.10133	33.2
159.11684	9.0
161.09605	3.3
161.13252	5.2
163.03928	5.8
163.07594	0.7
163.11139	1.1
165.09143	1.2
170.10931	7.4
171.11690	1.2
172.08760	0.7
173.09573	0.9
173.13228	1.2
175.07684	0.7
175.11107	0.8
175.14801	4.5
175.66983	0.7
177.12805	3.2
185.13263	100.0
186.14104	0.7
187.14819	3.3
189.12842	0.9
191.10551	0.7
203.14319	25.4
213.12770	3.2
231.13818	23.6
234.11516	0.8
249.14853	79.3
267.15912	0.8
284.09741	1.6
311.41196	0.8
359.13177	0.7
406.17526	1.1
532.24207	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	531.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
64.17696	2.0
67.05501	3.6
81.07063	9.7
83.11913	2.1
95.08617	10.0
97.10175	2.5
105.06976	3.8
107.08605	10.8
109.10199	2.3
119.08601	4.1
121.10145	3.4
129.46698	2.9
131.08568	3.6
133.10133	4.2
135.11678	5.5
145.10115	13.4
147.11676	24.8
151.21698	2.5
159.11690	13.5
161.13234	87.1
171.11644	2.6
173.13255	4.2
255.21082	100.0
269.41812	2.5
359.25815	97.2
385.19513	2.7
427.35797	9.3
456.12701	2.7
552.97662	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	531.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95813	3.1
55.05523	22.8
57.07069	7.2
67.05515	55.5
69.07074	55.7
71.08630	3.4
77.04771	2.8
79.05480	14.9
81.07062	87.7
83.08626	48.2
85.06526	6.2
91.05482	18.6
93.07055	31.3
95.08051	5.6
95.08616	100.0
97.06520	12.7
97.10181	50.2
99.08117	3.9
105.07037	20.8
107.08592	37.7
109.06454	2.9
109.10159	65.6
111.08092	4.9
111.11725	26.5
112.37778	2.9
119.08591	43.2
121.10146	44.9
123.08075	5.3
123.11713	42.2
125.09624	2.9
133.10138	57.9
133.27042	3.1
133.81915	2.7
135.11702	32.1
137.09613	16.6
137.13278	6.3
139.11247	3.0
147.11674	46.2
149.13266	14.6
151.11212	14.4
151.14893	3.5
161.13220	27.6
163.14859	3.2
165.12766	5.2
165.16335	11.6
173.13344	3.5
175.14825	4.7
189.16432	49.7
193.19466	4.1
207.17441	28.0
217.19521	34.5
225.18504	32.1
235.20520	28.9
243.19513	41.2
253.21648	35.4
255.21066	4.1
261.20627	14.6
271.22705	46.4
289.23779	6.1
477.39377	41.4
495.40744	28.8
513.41638	28.5
524.33423	3.5
531.29028	6.3
531.42346	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	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90640	2.9
66.67114	2.9
81.07059	6.0
95.08608	6.0
105.07017	4.3
107.08606	15.7
121.10140	5.5
131.08557	4.3
133.10101	4.7
145.10213	6.6
147.11707	19.7
159.11699	19.4
161.13266	67.9
184.76410	3.3
205.46690	3.4
224.90961	3.4
231.50725	3.4
255.21046	100.0
359.25763	77.6
531.36682	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	531.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73249	1.0
53.94781	1.1
55.05525	2.9
57.07079	1.2
60.08134	1.2
63.37572	1.1
63.91691	1.1
65.77869	1.2
67.05511	7.4
69.07080	2.7
79.05485	5.8
81.07074	19.4
83.08630	3.1
87.08134	2.2
91.05467	5.8
93.07016	9.0
95.08620	14.7
105.07057	12.4
107.08603	19.8
109.06493	1.5
109.10161	14.1
117.07000	5.5
119.08587	12.2
121.10117	12.3
123.11713	3.0
131.08586	8.5
133.10138	14.5
135.11690	11.1
137.09630	2.4
145.10146	19.8
147.11693	28.1
149.13261	7.3
151.11206	7.2
157.10159	1.7
159.11691	16.6
161.13263	71.3
163.03874	1.4
170.83272	1.3
173.13281	10.7
175.11183	2.7
175.14810	1.7
179.10712	2.5
183.11694	2.1
185.13316	2.5
187.14780	3.1
199.14897	7.6
201.16414	5.1
213.16336	5.2
215.17950	42.1
215.19836	2.4
226.32422	1.3
227.17995	1.4
236.14993	5.6
237.15295	1.4
253.19576	5.4
255.21080	100.0
287.85181	1.5
295.24207	2.3
341.24734	6.6
359.21368	2.9
359.25836	78.6
391.29990	1.5
409.31036	10.9
427.32315	1.8
429.54843	1.5
467.35007	2.9
485.36301	7.6
513.35760	37.4
531.28070	2.0
531.36731	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	1.2
70.06585	6.2
72.08165	8.3
74.06080	1.7
75.05614	1.2
84.04510	0.9
84.08150	21.2
85.02893	1.2
86.09711	83.0
88.11270	1.0
101.07159	0.9
102.05560	2.0
105.06390	1.3
105.07046	29.6
106.07363	12.1
109.02927	0.9
112.07667	1.4
122.09666	18.3
123.10012	5.2
125.10760	3.5
127.03874	1.5
129.10236	18.4
130.08644	21.3
137.05991	2.2
141.06631	1.1
142.12277	8.0
143.11792	18.5
147.11301	26.8
152.10664	3.8
159.07687	4.4
171.11336	4.5
183.07681	1.0
187.14351	7.0
197.12865	23.9
201.12473	1.0
210.61473	0.9
213.08865	0.9
215.13901	3.5
254.15024	19.6
260.19763	3.6
317.21881	5.3
418.26797	1.3
437.43024	1.0
513.33832	1.1
531.28076	8.2
531.35107	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	531.317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85592	0.3
54.25351	0.4
55.01884	25.6
58.86396	0.4
69.07074	30.2
73.06566	0.5
87.08116	1.7
89.21362	0.5
97.06535	100.0
115.07574	11.8
129.09119	14.0
129.10103	0.5
157.08621	1.9
172.92207	0.5
211.13290	14.6
211.15161	0.8
229.14394	0.7
243.15974	2.0
252.62328	0.5
271.15512	1.8
531.38611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24109	0.4
55.05514	0.4
70.06595	4.3
72.04512	2.2
72.08157	6.3
83.04981	5.0
84.08144	34.4
84.75598	0.4
93.07037	0.8
94.91279	0.4
98.09690	0.6
110.09669	0.5
111.04425	4.3
112.07598	0.6
112.11234	1.7
114.09164	37.4
115.08681	0.8
121.02854	1.8
125.10801	0.7
126.06667	0.9
126.09206	0.5
127.08675	1.0
131.08530	0.7
135.02061	0.4
139.03893	0.9
143.11792	63.9
144.08101	1.9
148.11240	0.9
149.09619	0.9
155.11830	0.8
156.11371	0.7
157.09782	2.1
163.03970	1.0
173.12813	1.0
173.14128	0.7
180.11311	0.6
183.06595	0.6
186.09181	1.8
187.09824	0.7
190.13387	0.8
197.14113	0.7
199.10846	0.5
210.42894	0.4
239.15038	6.0
261.19775	0.7
294.15558	0.6
303.21832	0.9
321.23032	0.7
413.20255	5.5
414.18509	0.7
431.21426	6.2
471.27188	1.9
513.29010	6.9
531.30420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.5
56.66069	0.5
58.48538	0.5
59.68098	0.6
67.05477	0.8
70.06593	3.3
72.04512	3.2
72.08163	7.5
81.07079	0.8
83.04985	3.3
83.49698	0.6
84.05618	0.7
84.08151	33.9
85.02944	0.6
86.09715	2.5
86.12836	0.5
98.09613	0.7
99.04427	0.5
111.04417	4.6
112.07619	1.3
114.09174	38.1
115.08726	1.1
119.05563	0.6
121.02853	0.8
121.10160	0.7
125.10765	1.1
126.06693	0.9
126.09299	0.7
126.10228	0.8
127.08686	1.1
127.16348	0.6
131.08580	0.8
139.03961	0.9
141.28955	0.6
143.11803	61.2
148.11253	1.0
149.09714	0.7
156.11398	1.4
157.09773	2.7
173.12830	1.2
173.14124	1.2
185.14058	0.7
190.13383	0.9
198.12321	0.6
199.10913	1.1
214.08316	0.7
239.15053	7.0
241.32858	0.6
303.21878	1.0
321.22949	0.8
413.20297	5.1
431.21606	5.6
441.27493	0.8
489.28879	0.7
495.28519	1.1
513.29132	4.9
531.30389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
55.57628	0.3
70.06606	3.5
70.67225	0.3
71.22791	0.4
72.04512	2.6
72.08165	4.8
81.07072	0.8
83.04989	4.1
84.08149	29.9
86.09710	0.7
93.07021	0.4
95.12028	0.4
98.06049	0.6
98.09666	0.4
104.76077	0.4
107.08611	0.5
111.04435	3.3
112.07600	0.5
113.10732	0.4
114.09170	30.6
115.08665	0.7
121.02828	0.7
121.10063	0.4
124.93549	0.4
125.10723	0.6
126.06671	0.5
127.08676	2.0
130.13786	0.4
131.08600	0.7
131.11838	0.4
139.03902	0.9
143.11809	59.3
147.04408	0.8
148.11237	0.6
149.09680	0.9
156.11346	0.5
157.04904	0.5
157.09767	2.0
157.13420	0.5
163.03947	2.0
173.12871	1.6
173.14087	0.5
193.13513	0.5
197.14041	0.6
207.06573	1.9
212.92055	0.4
239.15001	2.0
255.21097	0.4
261.19611	1.5
264.16180	0.5
278.69250	0.4
297.21823	0.7
321.22903	0.5
413.20526	2.2
414.18500	0.5
431.21356	2.0
471.26920	0.7
495.28348	1.6
496.26556	1.6
513.29333	6.5
531.30304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13173	0.2
54.56033	0.3
55.05502	0.5
60.23737	0.2
61.13729	0.3
65.88859	0.3
69.03438	0.6
70.06595	5.0
72.04499	1.5
72.08157	5.9
75.26503	0.3
75.62967	0.3
79.05483	0.6
81.07062	0.7
83.04990	5.3
84.08150	30.1
91.05479	0.3
93.03400	0.3
93.07040	1.8
98.06067	1.3
98.09698	0.7
105.07037	0.5
107.08562	0.3
111.04445	4.7
112.03707	0.3
112.07601	1.8
114.09167	31.3
115.08697	0.7
119.08506	0.3
121.02868	1.8
123.08109	0.4
125.10723	0.7
127.08659	2.8
131.08588	0.5
131.11792	0.6
134.09642	0.4
136.11349	0.3
139.03912	1.5
143.11807	37.6
148.11211	0.7
149.09654	1.5
157.05013	0.7
157.09721	1.5
157.13417	0.4
159.80219	0.3
160.07393	0.4
163.03880	0.4
173.12834	0.4
184.13332	0.4
193.13359	5.2
197.13992	0.5
202.15915	1.4
211.14351	0.3
220.16954	0.3
238.18059	1.2
246.14931	0.5
256.18948	0.7
261.19650	1.9
263.17508	0.5
279.20694	0.7
297.21716	2.9
304.93719	0.3
315.23032	1.2
321.04001	0.4
403.11633	0.3
471.27414	2.0
489.27975	3.1
513.29626	0.5
514.27155	0.5
531.30322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08201	0.6
58.75694	0.6
68.67741	0.7
72.33165	0.6
89.29644	1.0
91.05486	4.0
105.07100	0.7
107.08637	1.0
108.42110	0.7
109.14576	0.7
119.08585	100.0
133.06496	10.1
133.10129	0.8
147.11667	0.8
161.13266	1.4
209.01151	1.2
255.21021	3.2
359.25821	4.4
362.99365	0.7
471.12997	1.3
531.15118	1.6
531.27698	4.8
531.36200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19673	0.4
55.28405	0.4
56.76851	0.5
57.05217	0.4
58.06596	3.1
60.77443	0.4
64.12011	0.5
70.06591	3.1
72.08163	15.5
84.04481	0.5
84.08157	4.5
86.06084	3.3
87.75729	0.4
90.67960	0.4
98.06042	0.6
100.07623	6.1
105.10835	0.5
110.09695	1.8
112.07616	27.4
112.11277	2.2
129.13850	0.6
155.11754	3.5
163.03844	0.6
178.05090	1.0
192.06593	1.2
220.09753	3.5
284.09198	2.9
286.10632	0.7
300.08725	0.7
312.08734	11.1
314.10330	0.6
326.10199	0.7
328.11768	3.4
336.08752	1.9
338.10223	1.0
353.11356	2.6
354.09708	9.0
369.14597	0.6
385.17590	0.7
393.14590	1.0
397.17978	1.6
400.18381	0.6
410.17096	0.9
411.15546	17.7
413.17142	0.8
424.18387	0.6
428.18240	0.5
481.24615	4.5
482.23019	4.5
499.25546	100.0
531.28247	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	531.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54672	0.6
66.21300	0.5
70.06595	1.3
72.04533	1.0
72.08147	4.5
81.07055	1.3
84.08152	36.6
92.18406	0.9
92.58424	0.5
93.07050	0.6
98.06079	0.6
98.98577	0.7
107.08617	1.3
114.09170	36.6
115.08684	1.2
122.35689	0.5
127.08715	1.3
129.01874	1.1
131.08549	1.2
143.11807	62.6
148.11200	1.0
149.09586	2.1
157.09711	2.8
166.16637	0.6
173.12872	3.0
187.09584	0.6
212.42688	0.6
239.15033	2.8
303.21851	0.6
340.22009	0.8
341.18170	0.9
357.24924	1.2
359.19101	0.7
399.24878	1.0
423.25867	0.8
424.24493	0.6
431.17624	0.6
441.26993	6.8
469.26633	0.7
489.24478	0.6
531.14893	18.5
531.26642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04539	0.8
57.03441	1.0
58.06604	13.8
59.07380	4.4
60.08160	6.6
75.04465	1.4
81.07066	1.5
87.04466	1.7
93.54501	1.1
95.08583	1.1
100.08997	0.9
103.92702	0.9
113.05983	1.6
116.97819	1.1
131.07082	1.6
144.10173	8.3
160.28423	1.0
162.11258	1.9
236.14925	100.0
255.25227	1.1
372.68668	1.1
390.24698	8.2
430.28220	4.6
494.34415	4.7
512.35907	13.7
530.36890	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	531.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33569	0.7
64.40696	0.8
70.06593	4.8
72.08164	100.0
84.04518	1.8
84.08144	3.9
85.02931	1.1
86.09686	1.7
95.83306	0.8
105.05248	0.9
129.10222	4.9
130.05002	1.0
135.04231	1.0
137.06009	6.1
138.06311	0.9
146.06039	2.1
167.07053	5.4
168.07382	1.5
188.07111	6.2
200.13882	1.0
205.09752	3.5
286.07150	3.5
296.05615	3.9
313.05817	4.6
314.06613	12.4
340.11865	1.3
350.10248	7.9
367.10486	3.5
368.11453	8.5
414.08200	1.7
460.08865	8.8
514.13446	8.5
531.16089	79.7
531.32233	3.1
532.59521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97886	0.7
57.03445	3.5
58.06606	10.5
59.07385	2.1
60.08154	3.5
64.43365	0.8
68.27189	0.7
75.04477	1.2
78.67620	0.9
81.07066	0.9
85.02932	1.6
87.04482	1.6
93.07026	0.9
114.67306	0.9
131.07011	1.1
134.19055	1.0
144.10217	9.1
145.10138	0.9
162.11250	3.4
175.48941	0.8
186.09132	3.9
187.09756	1.4
222.08415	1.6
236.14946	100.0
236.89055	0.9
300.90833	0.9
360.09058	0.9
430.27863	10.5
494.34747	5.1
512.35876	13.3
530.37213	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02896	0.2
54.52593	0.2
55.01871	0.3
55.26710	0.3
56.96571	0.3
57.03452	1.9
58.06607	10.3
59.07378	2.7
60.08174	4.2
60.26690	0.2
63.78344	0.2
64.10299	0.2
67.05485	0.4
69.07060	0.2
71.08597	0.3
71.78683	0.2
72.66628	0.3
75.04464	1.5
78.12926	0.3
79.05481	0.4
81.07051	0.6
85.00931	0.3
85.02885	0.5
87.04485	2.8
91.05479	0.4
93.07022	0.6
95.04948	0.3
95.08596	0.3
103.03918	0.4
105.05515	0.5
105.07063	0.5
107.08559	0.4
113.05971	0.3
121.46564	0.3
131.07013	1.5
144.09097	0.4
144.10204	8.0
147.11673	0.3
162.11250	4.2
165.12718	0.3
218.13940	0.4
236.14925	100.0
340.48517	0.3
411.28027	0.3
412.27032	0.6
430.28036	5.8
494.34766	3.5
512.35870	15.3
530.36902	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	530.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22026	3.0
56.70927	3.2
58.06608	3.6
59.43150	4.0
71.72070	3.8
80.91428	4.7
81.07025	4.2
87.04439	4.0
96.53080	3.7
101.57849	4.3
192.49356	4.1
234.65523	4.1
236.12614	6.9
236.14917	100.0
320.54739	5.3
377.44785	4.2
530.37140	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17617	0.6
52.46262	0.5
55.05517	0.6
60.04520	0.9
60.08175	1.2
67.05509	1.1
69.03420	2.8
70.06599	100.0
72.08160	6.6
80.35278	0.6
81.03432	0.9
81.07053	1.3
82.06583	1.4
83.04986	0.9
84.08147	3.4
85.02905	3.7
86.09718	1.4
93.07072	1.2
95.04953	1.3
95.06110	1.5
95.08606	1.6
97.02899	1.0
99.04519	0.7
105.07035	2.8
107.08587	3.1
109.02898	5.1
109.10167	4.6
110.06021	5.2
110.09715	0.9
111.08108	1.3
112.07588	4.5
112.11275	0.9
114.10289	1.1
117.07001	0.8
119.08597	6.5
120.08079	1.3
121.10142	1.1
123.04406	0.7
127.03921	6.0
127.11205	1.6
128.07083	13.0
130.08656	17.2
133.10133	4.2
145.04984	0.7
145.10092	1.4
147.08032	2.7
147.11722	0.9
149.05901	1.0
149.13272	1.0
153.05411	0.9
154.13329	1.3
155.11780	2.6
159.11650	1.2
161.13281	5.0
163.03912	7.4
165.09041	1.2
167.07039	0.9
170.09674	3.0
171.13744	3.0
172.09689	1.2
175.14842	3.5
177.05466	1.0
181.46413	0.7
183.06531	0.8
185.13289	3.0
187.06071	0.9
198.12437	1.5
203.14296	2.6
217.19221	0.7
218.08110	0.8
220.09669	1.5
221.08199	1.3
236.09055	0.8
256.11789	6.9
274.12872	18.1
292.14044	4.0
304.13770	0.7
370.83246	0.8
438.21301	2.9
456.22232	1.4
494.27701	8.7
498.22473	2.3
512.28735	24.7
530.23560	5.4
530.30524	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77390	0.3
54.40784	0.3
55.23487	0.3
58.06583	0.7
64.32409	0.4
67.74154	0.4
68.08788	0.4
70.06567	0.5
72.08120	1.7
86.09702	0.6
100.66058	0.4
108.08072	0.4
110.44225	0.4
119.66182	0.4
155.11790	2.9
160.07582	36.3
170.09599	2.0
174.09172	0.6
186.09155	100.0
187.09930	31.8
193.05006	1.9
202.11124	0.6
203.11784	0.6
217.13374	4.6
218.14165	18.5
250.10797	0.9
312.86838	0.4
376.65430	0.4
450.81036	0.6
512.27606	0.8
530.28882	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31971	0.5
56.05029	0.6
58.06604	0.7
60.70398	0.4
69.03420	0.8
70.06599	8.6
72.08163	11.5
75.09237	0.5
81.07044	0.8
84.04478	0.6
84.08149	3.8
86.09718	0.7
89.03568	0.6
89.10772	0.8
89.30407	0.5
93.07068	1.0
98.06054	3.4
99.06842	7.5
100.07000	0.8
100.07589	5.9
109.38061	0.5
110.09692	2.5
112.11220	0.8
115.08655	0.6
123.04439	0.7
127.08651	0.8
127.12309	0.6
129.13864	0.6
130.08665	0.7
147.04408	0.7
150.50566	0.5
153.05473	11.6
155.11792	11.9
163.03918	6.5
165.05482	15.3
170.09584	0.7
172.14378	1.0
177.05486	4.5
178.02673	1.0
193.04976	29.6
218.08105	0.6
220.09726	11.4
222.11060	0.6
236.09244	4.3
247.13321	1.2
250.10712	7.1
251.11534	5.3
251.13976	2.6
252.12312	10.4
264.12405	2.9
276.12296	4.6
280.14404	0.8
317.10184	9.8
320.19742	0.7
321.18146	3.4
336.12976	0.6
338.20850	1.8
343.08154	3.9
406.17847	0.7
416.17139	6.0
433.22876	0.5
530.25006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84472	0.5
57.29164	0.4
59.66358	0.6
61.21079	0.5
62.63823	0.5
63.32382	0.5
67.82318	0.6
70.06579	3.7
72.08165	13.4
75.09239	0.5
84.08134	1.4
89.10799	1.0
92.57485	0.6
98.06057	1.0
99.06843	7.4
100.07624	7.9
102.61932	0.5
110.09683	2.7
112.11231	0.9
123.04458	0.6
127.08670	0.6
129.13850	1.3
146.16553	1.1
153.05481	12.2
155.11798	13.1
165.05486	14.3
166.06218	0.7
166.57001	0.6
172.14421	0.9
177.05476	5.8
178.02631	2.7
193.04977	36.4
193.06723	1.3
204.10252	0.8
218.08093	0.9
220.09705	10.3
232.09610	0.9
236.09212	2.8
250.10753	10.1
251.11501	4.7
251.13919	3.9
252.12300	13.0
264.12280	2.6
271.09714	0.8
276.12299	6.0
280.14423	0.6
317.10202	6.6
320.19812	1.2
321.18036	3.3
338.20831	2.3
343.08203	3.5
416.17041	4.1
498.22162	0.6
530.25012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38695	0.4
54.85699	0.4
55.05490	0.5
58.06598	2.2
58.29104	0.4
62.73190	0.4
70.06601	6.9
72.08162	11.5
84.08147	8.0
86.09699	0.6
95.04587	0.4
98.06037	1.7
98.09677	0.9
110.09693	2.6
112.11238	2.9
113.07118	5.7
123.04454	0.5
127.08677	0.5
127.12343	0.9
129.13882	3.0
137.05913	0.5
145.87537	0.4
146.16518	4.3
147.04518	0.5
153.05435	5.2
155.11790	42.3
156.67630	0.4
160.07602	0.5
163.03889	1.8
165.05507	6.9
167.07018	1.0
172.14452	9.8
177.05414	3.5
178.02563	3.6
178.08675	2.1
186.09103	2.1
192.06754	0.6
193.04964	46.9
195.94841	0.4
204.10199	0.6
206.08200	1.8
210.20398	0.5
218.08076	3.9
220.09651	5.1
220.98921	0.4
226.54364	0.5
232.09711	0.5
233.12872	5.3
234.07625	3.3
234.11203	0.8
237.03511	0.4
249.09938	3.2
250.10744	19.6
251.13982	0.7
264.12292	2.2
266.13776	2.0
267.13284	0.5
278.04834	0.6
289.15344	0.5
291.16922	0.7
306.18179	0.9
309.18134	1.0
317.10367	3.2
319.16595	0.5
320.19769	6.0
321.18091	2.7
338.20728	5.7
343.08179	0.5
350.20847	0.7
498.24536	0.9
500.89340	0.5
530.25018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.9
55.96162	1.0
70.06596	12.9
72.08162	15.3
84.08135	6.4
85.02882	1.4
86.09701	3.9
98.06073	1.3
98.09652	1.4
112.00013	0.9
112.11247	1.4
113.07186	7.0
114.09161	4.5
123.04432	2.0
129.13817	1.3
137.06004	1.3
146.16573	1.3
153.05460	5.9
155.11795	41.8
163.03900	7.4
165.05461	7.3
172.14473	10.3
177.05409	1.7
178.02570	1.6
193.04971	33.7
218.08134	4.1
220.09729	4.4
233.12914	1.5
234.07608	2.0
247.13432	1.3
249.09991	4.8
250.10735	16.9
266.13812	1.3
317.10211	2.4
320.19659	4.3
321.18216	1.3
338.20920	1.3
343.08148	1.2
461.31909	1.4
521.23914	1.2
530.25000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13305	0.9
53.99129	0.8
56.25240	0.8
57.37741	0.8
63.86077	0.7
72.60441	0.8
77.65223	0.9
91.05482	1.6
103.05462	1.5
107.04954	3.6
115.05466	4.4
117.07043	1.1
119.08580	2.3
120.01356	0.9
131.04933	4.7
132.05708	3.7
138.18967	1.0
143.04933	1.8
147.08081	8.9
160.05162	1.4
161.06079	1.4
167.07043	6.5
175.07562	4.0
176.04691	1.2
177.05502	1.8
191.07050	6.2
192.07805	6.0
213.05540	1.1
219.08170	3.6
225.74480	1.0
231.08032	1.4
232.08821	4.1
235.07535	0.9
245.05815	1.1
246.10533	1.7
247.07512	4.1
247.11267	4.4
249.09055	1.4
260.08337	4.8
261.09088	3.8
263.07016	1.4
264.07803	5.0
267.09988	1.1
271.07483	2.0
274.09845	8.0
275.10693	6.2
277.08609	6.5
278.09555	1.8
279.10196	3.6
289.08673	4.8
291.06680	1.3
291.10193	3.7
292.07385	4.9
292.10944	4.0
293.11804	1.1
295.09552	1.3
301.08566	1.0
302.09488	3.2
303.10355	3.8
305.08121	4.4
305.11823	4.1
306.08862	3.8
307.06262	1.0
307.09692	22.9
307.13370	4.4
308.10367	1.0
309.07755	1.8
319.09573	1.9
320.06998	1.4
320.10504	5.6
321.11105	8.3
323.09183	1.0
324.09970	5.9
335.09079	4.3
335.12842	1.6
336.13651	1.5
337.10724	2.2
339.12320	16.0
365.10361	1.8
367.11777	1.2
379.11874	4.1
381.09763	4.5
396.12054	8.4
411.08893	1.2
411.09872	1.0
411.14395	44.2
471.16522	100.0
499.21402	1.0
530.23889	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39244	0.3
56.77045	0.3
57.13858	0.3
64.17564	0.3
68.69337	0.4
69.03440	0.6
70.06594	0.6
72.08151	0.8
73.63090	0.4
75.49326	0.3
85.02912	2.5
91.03943	0.4
97.02894	0.9
105.07101	0.4
111.95059	0.4
112.34733	0.4
122.03625	0.8
123.04420	0.6
126.05579	0.3
129.79436	0.3
131.04958	0.7
137.05986	86.1
147.04411	0.6
149.05952	0.7
151.07559	0.9
161.05968	0.9
163.07590	0.8
165.05513	0.4
167.07037	100.0
179.07062	1.7
180.08702	0.8
183.08067	0.7
197.08080	0.4
211.07545	0.7
222.03624	0.5
228.43109	0.4
243.10136	1.7
255.10063	0.6
271.09589	3.3
283.09717	2.5
303.12195	3.3
315.12289	9.7
333.13324	15.6
464.81161	0.4
530.15356	0.9
530.24609	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	529.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89104	0.5
72.08150	10.7
74.07598	0.5
83.98219	0.5
85.95835	0.5
89.03915	0.8
89.10792	9.7
100.65660	0.5
115.08727	0.6
117.03371	1.1
119.11255	0.5
145.02827	15.9
146.09268	0.5
152.20256	0.5
177.05460	100.0
211.97816	0.5
220.58215	0.5
248.12715	3.8
265.15445	47.8
449.32153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	6.1
72.83822	3.3
79.05502	4.0
81.07052	23.1
92.17809	6.6
93.07015	8.2
95.08590	6.5
105.07027	6.7
107.08607	15.3
109.10162	4.8
118.04859	3.3
121.10130	17.3
131.08556	6.3
133.10101	6.5
135.11642	5.3
143.08569	4.8
145.10107	13.8
147.11682	37.2
149.13228	4.3
157.10159	18.3
159.11668	29.4
161.13226	85.9
173.13264	6.7
175.14845	3.3
215.64983	3.5
238.32472	3.3
240.14548	3.7
253.19495	42.7
255.21082	100.0
269.17413	13.2
332.98068	4.6
357.24219	7.9
359.25848	92.3
414.49680	3.9
425.30667	5.2
529.38501	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	529.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35815	0.5
55.05516	0.6
57.03443	0.6
57.92105	0.5
58.06602	0.5
60.08158	0.6
61.59235	0.5
66.93713	0.6
70.06596	11.3
72.08163	13.3
75.09254	0.7
84.04506	1.0
84.08153	5.0
84.44133	0.6
86.09699	1.0
86.30847	0.6
90.14135	0.6
97.49757	0.8
98.09672	0.6
110.09650	1.3
112.11273	4.4
113.07124	5.5
114.10278	1.5
115.08737	0.6
117.03397	0.6
123.04417	3.2
128.77399	0.6
129.13881	2.2
137.06013	1.2
145.02924	1.0
146.16531	2.8
152.07059	1.4
153.05498	5.4
155.11786	32.2
155.13054	1.2
162.05524	0.9
163.03914	12.3
163.05206	1.1
163.07570	0.6
164.04218	1.1
164.07109	2.7
165.05435	1.3
167.07069	3.6
172.14438	10.9
176.07112	3.5
177.12001	0.6
178.02692	0.8
181.04973	1.0
191.08115	0.6
192.06589	10.1
193.05009	8.3
206.08105	0.7
216.06622	0.8
218.08189	4.0
220.09663	4.4
221.08141	2.8
222.11298	3.7
238.10661	4.4
245.11362	0.6
245.57660	0.7
249.12358	2.3
249.65736	0.7
250.10706	9.7
310.07397	0.7
314.10620	2.8
316.11795	0.7
321.18335	0.8
326.10529	0.8
337.22375	2.3
338.43832	0.6
340.11926	0.7
342.09702	14.5
349.10980	1.2
350.10956	4.5
350.90656	0.6
352.07874	0.7
356.11249	7.7
358.13043	0.7
366.13388	1.1
367.13782	1.0
384.10648	8.5
495.49530	0.6
497.23996	5.8
529.19916	5.6
529.26648	100.0
529.71783	0.7
535.03461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56656	0.4
60.79562	0.5
69.13351	0.5
70.06597	0.7
70.66675	0.4
71.19341	0.5
77.38059	0.5
84.05632	31.7
97.87399	0.5
104.97988	0.5
105.70466	0.5
105.77711	0.6
136.06206	1.3
194.08115	4.2
207.08502	0.9
208.10822	2.2
217.04625	5.0
226.11769	0.7
232.10559	0.8
236.10289	2.7
250.10350	1.0
254.11345	100.0
276.09601	7.2
304.14899	0.6
333.93896	0.6
419.40613	0.6
529.19055	6.6
529.26697	0.7
547.19928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21890	0.7
55.01880	1.0
57.03420	1.0
66.99546	0.7
69.03435	11.4
70.06601	1.8
71.05003	1.7
73.02906	1.2
73.17464	0.8
80.20358	0.7
81.03448	5.8
81.07063	0.9
84.04520	0.8
84.53841	0.7
85.02912	14.2
87.00835	6.0
87.04458	0.9
93.07042	1.5
95.04990	1.1
95.08554	0.9
97.02889	8.6
97.06521	4.2
99.04446	4.2
105.01869	3.1
105.07009	1.1
107.08601	4.0
109.02905	9.1
109.06513	1.4
111.04476	5.2
118.81708	0.7
119.08598	4.4
121.06475	1.2
123.04430	1.6
123.08060	3.2
127.03921	9.4
131.08575	0.9
135.08063	100.0
137.06000	1.2
143.08549	3.1
145.05016	1.5
145.10152	1.3
147.08067	4.3
147.11697	1.0
149.05971	1.1
151.07524	1.6
153.07188	0.8
156.09349	1.9
157.10121	0.9
159.02866	3.8
159.08064	4.9
159.11697	9.9
161.09636	3.0
163.07603	1.2
165.09126	1.7
168.65106	0.9
169.10118	1.3
171.11685	6.5
172.08803	3.4
173.09604	15.5
173.13399	1.4
175.07527	1.3
181.10124	1.4
184.08946	0.8
185.09698	1.7
187.11186	52.2
188.08357	1.1
189.05615	0.9
189.09132	1.1
189.12759	4.3
197.09573	1.1
199.07457	1.3
199.11203	9.5
201.12746	1.0
203.08891	1.4
203.10664	17.9
209.09573	0.9
212.08395	1.0
213.04131	0.8
215.10675	34.3
217.12204	12.0
227.10683	8.7
231.05011	1.3
233.11728	53.6
245.11720	24.3
263.12775	75.5
475.15891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	21.3
71.08628	21.6
71.70927	4.7
85.10201	6.8
86.09740	5.2
89.06042	100.0
92.17958	6.5
133.08627	40.5
143.39641	5.1
143.83342	4.9
371.22757	26.4
511.38538	53.3
528.33862	9.7
528.41681	35.7
539.07373	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	529.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73248	0.3
54.03468	0.4
55.80420	0.3
61.02908	0.3
69.03433	1.4
70.06595	2.2
72.08161	3.8
76.42229	0.3
77.29152	0.3
81.03410	1.8
81.04557	9.2
82.05343	0.5
83.08617	0.3
84.08150	0.6
85.02901	2.1
89.02372	0.3
89.10773	0.4
97.02897	1.4
97.22733	0.4
98.70871	0.3
99.04452	0.4
109.02885	1.5
114.03726	0.4
114.09187	6.8
122.07159	100.0
123.07938	26.2
127.03920	2.0
136.08739	1.6
143.11845	0.7
144.04805	0.8
160.04262	3.6
163.03943	4.0
164.08162	0.5
165.07690	2.4
172.04271	1.3
182.96939	0.4
197.13986	1.5
199.87373	0.4
206.12897	1.9
206.46492	0.4
209.13934	0.5
236.12747	0.4
248.16373	1.6
249.17110	6.4
274.49899	0.4
281.10681	19.3
291.21921	0.6
301.20154	0.6
319.21262	7.1
337.22464	4.0
443.16336	0.8
449.01480	0.4
485.16974	11.6
529.16058	50.6
529.25055	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	528.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
58.06607	17.2
59.07388	4.8
60.08167	2.5
68.78244	1.2
70.06580	1.8
75.04511	1.4
87.04493	2.0
87.07966	1.7
92.18355	1.4
99.94775	1.3
100.08748	1.8
126.14544	1.5
144.10187	10.0
157.10867	2.1
162.11276	2.1
224.10028	1.5
236.14920	100.0
268.62073	1.4
291.14594	2.1
292.15439	1.6
294.42648	1.4
310.20654	1.5
322.11996	1.3
354.20685	3.3
423.27460	1.9
467.17209	1.3
506.61682	1.7
510.34686	10.4
511.31625	3.3
528.35785	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50974	0.5
53.52757	0.4
54.19897	0.4
58.06605	0.9
60.81108	0.5
67.90224	0.5
69.19215	0.5
70.06604	0.6
160.07574	36.4
170.09703	1.3
174.09216	0.9
186.09149	100.0
187.09933	29.8
202.10995	0.6
217.13432	5.2
218.14166	14.7
226.62154	0.5
236.14867	0.6
250.24628	0.6
443.29654	0.6
528.32269	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	528.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31795	0.2
58.06586	1.2
58.97478	0.2
72.08150	0.2
85.02891	0.5
92.17863	0.3
97.02907	0.7
115.03909	1.0
139.08951	0.3
139.40648	0.2
144.08090	0.8
160.07576	36.8
161.08354	0.5
170.09650	1.2
174.09146	1.4
186.09146	100.0
187.09929	28.2
188.10768	0.3
198.09195	0.3
201.03792	0.2
202.11031	1.3
203.11798	0.9
217.13403	4.9
218.14143	17.8
219.04996	0.8
226.12172	0.3
242.11621	0.3
298.06400	0.2
345.29871	0.2
384.24155	0.3
437.33484	0.3
449.79068	0.3
528.32227	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42159	0.3
58.06598	1.2
68.28487	0.2
103.72152	0.2
136.33630	0.3
144.08080	1.1
160.07582	36.8
161.08356	0.6
170.09689	1.6
174.09161	1.7
175.09866	0.3
186.09154	100.0
187.09933	26.3
202.11049	1.2
203.11800	0.6
216.80693	0.3
217.13382	4.6
218.14165	16.4
223.04327	0.3
226.12300	0.6
267.06842	0.3
285.19489	0.3
384.24261	0.7
399.57077	0.3
467.70840	0.3
528.32251	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85413	0.7
70.06594	85.6
74.77512	0.8
75.25207	0.9
84.08150	6.2
86.09212	1.5
86.09705	34.2
92.17865	0.9
98.06045	1.5
109.07642	1.0
112.07551	0.8
115.08669	5.0
123.09169	1.0
125.07099	1.0
134.06003	5.3
136.07587	4.0
138.12834	1.7
139.08720	0.8
141.10229	31.5
144.08063	2.0
144.76871	0.9
151.08687	3.2
152.09454	4.7
160.07562	1.9
162.09134	1.6
165.13858	1.6
167.10513	3.8
168.01208	0.7
169.09744	8.6
170.09644	3.6
171.10143	1.1
181.13322	3.2
183.14931	1.3
186.09138	1.8
191.11798	1.5
202.12238	10.2
204.13785	1.6
209.12862	16.0
211.46834	1.0
225.11035	1.2
225.16064	1.0
228.13815	4.8
234.15912	1.4
236.17590	10.6
249.15976	1.7
262.15558	3.7
280.16541	24.3
325.19003	1.2
360.22845	3.4
370.21378	1.1
393.24933	1.7
398.20920	1.3
415.23590	4.2
457.28635	1.2
483.29630	4.8
510.31345	1.0
511.28748	5.6
528.31830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20441	0.7
60.82132	0.7
70.06602	94.3
71.14078	0.6
77.98812	0.6
84.08164	5.2
86.09716	35.0
97.07671	0.9
98.06042	0.9
112.07580	1.0
113.10776	0.8
115.08698	4.0
123.09238	1.1
134.06052	5.3
136.07593	6.0
138.12790	2.9
141.10243	28.7
146.28072	0.6
151.08698	3.8
152.09467	4.6
159.46684	0.8
160.07530	0.9
162.09125	1.2
165.13821	1.4
166.80673	0.8
167.10518	3.0
168.11343	0.7
169.09746	8.3
181.13416	3.0
183.14946	1.3
190.12251	0.7
191.11810	1.6
194.99139	0.8
202.12277	12.4
204.13832	0.8
208.10973	0.8
209.12865	15.6
209.16556	1.6
211.10939	1.0
225.11081	1.3
225.16014	0.8
228.13855	5.2
231.15045	1.0
234.16069	1.5
236.17549	7.9
249.16049	1.2
262.15503	4.8
280.16571	19.9
325.19296	1.0
332.23001	0.9
342.22144	1.1
350.84009	0.7
360.22952	3.5
366.65570	0.8
388.22400	1.0
393.25024	2.7
398.20874	3.7
415.23578	4.4
457.28497	1.3
483.29938	3.9
511.29395	5.2
517.39471	0.8
528.31866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
71.83711	1.9
108.17577	2.2
117.03366	4.2
117.05496	4.8
145.02831	38.1
177.05467	100.0
276.21631	2.1
299.22192	3.9
377.23428	8.4
493.27997	9.9
528.32391	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	528.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23216	0.1
55.05518	0.5
70.06608	1.0
84.08142	0.3
85.08935	2.5
86.09695	0.6
100.11266	100.0
118.23950	0.1
151.07629	0.2
167.07066	0.2
169.14824	0.1
209.08131	0.6
220.13120	0.1
238.67432	0.1
280.52246	0.1
281.48285	0.1
299.11423	0.1
397.21408	0.3
404.25461	5.8
528.30878	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
56.05026	0.6
66.82735	0.4
67.05521	3.9
69.07072	3.3
70.06602	100.0
72.08168	5.7
79.38497	0.4
81.07087	0.6
84.04539	1.0
84.08159	4.8
85.02934	0.4
86.09751	2.2
93.07083	0.8
94.06610	1.0
95.04972	6.6
95.08625	0.9
98.06104	0.6
102.05586	0.5
105.07070	1.8
109.10167	3.6
110.07224	0.8
110.09747	2.3
112.07622	20.5
119.08672	2.3
121.10255	0.7
123.04526	2.6
123.08192	0.6
125.75439	0.5
127.03965	1.6
129.10255	3.0
130.08745	2.0
130.63507	0.5
133.10245	2.2
135.11707	3.6
136.07668	1.0
137.06142	0.5
137.09695	0.5
138.05646	0.5
144.08183	0.7
147.04573	1.7
147.11856	0.6
154.08789	2.6
154.09883	1.6
155.11911	0.8
155.38228	0.5
163.03914	4.7
165.05690	2.3
170.09874	3.2
171.10219	1.0
172.11040	0.6
175.15018	1.6
177.05617	0.4
178.08824	0.6
182.12930	3.1
193.16107	1.9
211.17000	4.3
220.10063	2.1
222.11554	0.9
236.13257	2.6
238.11189	2.1
239.10620	0.7
251.10529	0.7
256.12192	0.7
274.13458	3.7
275.10776	0.6
292.14548	0.5
293.15683	2.6
318.12524	0.6
325.84695	0.5
336.13791	3.1
459.23926	0.5
484.30728	11.7
510.31561	0.5
528.29901	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	528.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.4
59.86495	0.3
67.05508	2.7
68.05030	0.6
69.07071	2.3
70.06597	100.0
71.06900	0.4
72.08154	3.5
81.07060	0.4
83.05021	0.4
84.04506	0.4
84.08143	3.5
85.02907	0.6
86.09721	1.7
91.05564	0.3
94.06572	1.4
95.04970	5.4
106.12447	0.3
109.02930	0.7
109.10196	2.5
110.07189	0.5
110.09724	0.7
112.07611	15.0
119.08647	1.5
120.34100	0.4
121.10197	0.5
123.04408	0.4
127.03981	0.5
129.10304	1.9
130.08699	0.8
133.10176	0.8
135.11705	3.4
136.07651	0.6
151.11385	0.4
151.14841	0.5
154.08705	1.9
163.03998	2.1
172.09760	0.5
175.14917	0.5
177.05487	0.5
178.08711	0.5
193.15909	1.3
202.08530	0.4
206.04736	0.6
211.16910	5.1
218.94691	0.4
220.09911	0.7
230.97253	0.4
234.07674	0.5
238.10936	1.7
246.11397	0.4
256.11963	0.7
274.12997	3.6
318.12122	0.6
459.22617	0.8
484.29099	10.5
496.21426	0.8
528.28711	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	3.1
56.78316	0.2
59.03547	0.2
63.52678	0.2
70.06609	1.8
71.07383	1.7
71.77931	0.2
72.08157	0.4
78.50807	0.2
86.09715	100.0
87.93127	0.2
91.05508	0.2
93.07029	0.2
99.05544	0.4
103.05478	0.5
105.07061	1.0
112.64900	0.2
113.10758	0.8
118.06553	0.3
120.08112	18.7
125.94040	0.2
130.08676	0.2
141.10231	3.3
141.20338	0.2
146.06042	0.4
148.07578	4.4
182.80222	0.2
233.16577	0.3
259.14609	0.4
277.15567	1.2
305.14865	1.4
320.41321	0.2
354.38693	0.2
369.18295	0.4
390.23755	5.0
397.17825	0.8
528.26758	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	528.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	16.6
56.38075	1.7
57.07061	1.9
69.03436	21.9
70.06601	13.6
72.08160	2.9
84.08147	2.8
85.02915	50.6
87.00838	38.4
87.04477	7.6
88.57063	1.7
92.17789	2.2
97.02899	89.0
105.01912	18.1
109.10104	1.8
115.03933	100.0
122.08094	2.2
127.03925	8.6
129.10263	1.9
138.34251	1.9
143.40685	2.1
144.08107	1.8
147.04390	2.1
158.56058	1.9
163.03952	4.2
183.02904	2.9
186.09166	4.7
199.05981	2.5
201.03952	36.8
219.04999	89.1
241.07048	3.7
259.08008	2.9
282.24277	3.3
317.50919	2.0
341.27393	1.8
429.33072	1.9
528.24524	8.9
528.32336	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	528.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82822	0.7
67.95266	0.6
70.06569	5.2
71.83138	0.8
72.08135	3.5
95.04995	2.0
107.04972	7.2
110.05997	3.6
116.53100	0.8
131.04895	1.6
137.05988	26.9
138.05495	6.6
154.86571	0.8
163.03876	3.4
163.07553	8.2
177.05463	1.8
181.04956	29.0
193.04883	1.0
207.06503	3.3
255.06493	5.9
309.07437	2.0
313.10709	24.3
321.11121	1.7
323.09085	3.2
329.73154	0.8
331.11823	13.7
337.10822	5.9
348.08365	1.3
348.12296	26.6
349.10684	100.0
366.09079	1.2
366.13388	32.3
405.98871	1.0
442.21014	0.9
528.18536	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	528.208
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20504	0.6
69.43971	0.7
69.92233	0.7
70.06606	1.0
85.02895	1.4
103.05466	1.0
107.04942	1.2
109.06516	0.9
122.03622	1.4
131.04921	9.8
135.04431	0.9
137.05984	100.0
138.05594	1.2
144.61331	0.9
163.03906	12.6
163.07542	26.6
177.05519	5.2
181.04955	97.4
181.14383	0.8
189.05484	0.8
207.06538	11.9
220.16014	0.7
240.00490	0.8
267.14230	0.9
289.25540	1.1
313.10699	82.4
331.11774	42.6
348.12271	7.2
349.10645	16.5
366.13498	8.6
528.18555	17.9
554.19562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2873
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
51.22504	0.6
52.74460	0.7
70.06599	5.0
72.08169	8.3
78.67275	0.6
80.57204	0.7
84.08170	1.5
85.02875	1.0
86.09698	0.9
107.08636	0.7
112.11263	3.5
123.04443	4.0
125.55072	0.7
129.13864	0.8
133.10144	0.7
137.06067	0.8
145.02933	1.2
159.82707	0.7
163.03925	6.0
165.05522	4.1
170.09680	0.8
176.07071	71.5
179.10667	1.0
202.04980	0.9
217.09804	4.0
218.08115	12.6
220.09727	1.5
222.11365	1.6
236.12851	7.0
260.11649	2.9
274.15424	1.3
275.13904	100.0
279.16092	3.4
293.18652	4.6
310.21259	3.7
411.60776	0.7
442.39551	0.8
509.28137	1.2
527.28827	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2872
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
52.45082	0.5
54.83989	0.5
62.30658	0.5
67.77092	0.5
68.91195	0.5
70.06598	64.0
71.04988	0.8
82.84651	0.5
84.08149	7.6
86.09714	100.0
91.86028	0.5
96.60361	0.6
112.07592	3.4
120.74261	0.5
126.33235	0.5
132.08112	2.3
134.06024	2.8
136.07597	2.6
140.07077	78.0
154.08693	0.9
160.07626	6.3
168.06575	9.3
169.62503	0.7
174.12732	1.4
185.09596	1.1
188.07034	0.9
202.12282	42.2
203.70251	0.5
209.12866	3.5
229.13399	1.0
230.11803	1.3
233.12904	1.1
249.15981	3.9
251.13930	7.8
279.13403	18.3
286.49533	0.6
315.20734	4.4
364.22397	5.4
386.20889	0.8
392.21826	25.0
396.19287	1.2
414.20285	23.4
466.96875	0.6
499.29300	5.0
509.27441	1.1
527.28650	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	527.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96563	0.4
55.43834	0.5
61.77171	0.6
63.14717	0.5
70.06596	0.7
74.22455	0.6
79.58134	0.5
81.07042	0.8
107.08614	0.7
109.82339	0.5
119.20792	0.6
142.11830	0.5
163.03885	1.1
203.05310	2.6
216.90608	0.6
229.03201	0.6
243.04805	2.1
245.06378	4.6
261.18286	0.6
263.19937	0.9
279.19458	4.5
287.03793	9.6
289.05313	23.7
321.19168	0.8
483.25922	4.2
527.24689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.4
55.25796	0.2
58.97802	0.2
62.01596	0.5
63.02385	1.1
64.74484	0.2
70.06598	1.5
72.08166	100.0
73.06561	0.2
89.03938	1.4
89.10799	2.0
98.06060	1.2
99.88203	0.2
117.03432	0.2
126.12820	0.4
237.05467	1.5
265.04968	2.5
280.05905	0.4
282.07434	0.3
283.05856	0.6
292.06033	1.4
295.06073	3.0
297.07855	0.3
307.07217	0.4
308.05563	0.3
320.05469	0.3
323.06451	0.2
327.04858	0.3
333.12473	0.5
334.10760	1.2
346.37677	0.2
350.06503	0.3
352.08179	2.4
361.11816	4.0
362.10236	2.9
366.13336	0.4
379.12817	3.7
380.07663	0.3
389.10947	0.7
394.12869	0.5
407.12506	0.3
421.13901	4.4
422.12454	0.5
439.14987	3.1
467.10995	0.3
509.23920	0.4
510.22189	1.1
527.25043	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10474	0.4
51.30206	0.4
59.95336	0.3
60.35074	0.4
64.30151	0.4
66.72484	0.4
69.07060	0.7
72.08164	0.6
81.07075	1.0
85.02892	0.6
87.90519	0.4
95.08594	0.8
97.06489	0.7
97.10171	0.5
100.11232	0.5
144.08138	0.5
161.05960	0.5
170.09660	0.6
261.18271	0.9
279.19327	19.6
307.18869	0.7
321.20490	0.8
353.45093	0.5
423.23276	1.0
441.24585	20.3
483.25681	16.9
527.24652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.9
66.93263	0.5
70.86363	0.4
73.67737	0.4
79.22602	0.5
129.53229	0.4
144.08090	28.9
158.09605	0.8
170.09650	100.0
171.10431	21.7
187.12355	1.1
201.13829	4.3
202.14674	14.3
236.29407	0.5
301.19193	0.7
446.42770	0.5
527.23901	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45478	0.4
55.43523	0.4
81.07062	0.5
89.74243	0.5
97.06499	0.5
108.37339	0.5
132.06612	0.5
147.30492	0.6
180.37907	0.6
185.13115	0.5
215.48903	0.5
223.22675	0.5
261.18356	2.0
269.61423	0.5
279.16022	1.0
279.19305	21.7
282.81403	0.5
287.66940	0.5
290.42447	0.4
307.18781	1.0
321.20432	1.9
365.23520	0.5
423.23611	2.7
428.37930	0.6
441.24704	23.2
465.25165	0.7
483.25769	19.7
527.24750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.7
59.36837	0.3
65.64201	0.3
67.18994	0.3
70.06580	0.6
72.08148	0.4
86.09708	4.6
88.15095	0.3
91.81695	0.3
103.21677	0.3
103.49166	0.3
105.49625	0.3
120.08109	0.5
127.17052	0.3
144.08090	28.9
145.08865	1.4
145.10004	0.4
158.09657	1.6
170.09647	100.0
171.10432	23.6
171.11618	0.4
187.12263	0.5
201.13893	5.0
202.14659	14.9
249.79413	0.3
259.09628	0.3
282.23685	0.3
527.23889	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	0.5
62.13353	0.2
62.85460	0.2
70.06584	0.4
72.08154	0.5
97.06474	0.3
131.85316	0.2
144.08092	31.0
145.08910	1.1
150.86691	0.2
156.57742	0.2
158.09634	1.0
163.59312	0.2
170.09651	100.0
171.10425	23.2
175.44263	0.2
187.12375	0.5
201.13889	4.8
202.14661	16.8
207.82257	0.2
300.05856	0.3
301.19153	1.2
434.29816	0.2
527.23914	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	527.1895
Annotation	Physalin J
Peak:m/z	Relative Intensity
70.29134	1.8
74.31307	1.9
76.91825	1.8
84.00113	2.2
115.03932	2.6
115.28535	2.1
167.07022	7.4
171.77782	2.0
218.25079	2.2
291.10162	2.5
351.12320	4.0
353.13873	2.3
467.16809	2.7
527.18835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59081	0.3
70.06569	1.9
70.72600	0.3
72.08139	2.0
79.19656	0.4
79.35400	0.3
84.08151	0.6
85.02945	0.5
93.07021	0.4
95.08537	0.5
97.02850	0.4
105.06982	0.5
109.10116	0.4
133.10144	0.5
163.03871	1.9
169.04802	0.7
220.09752	0.5
227.05367	0.5
243.13597	0.8
261.14581	0.6
271.04279	0.8
279.15637	3.2
289.05383	0.8
391.13510	1.5
405.18753	0.8
409.14557	3.7
423.19894	2.8
429.18353	0.5
435.12570	1.5
441.20914	9.4
447.19934	2.8
453.13571	4.0
465.20908	4.5
483.22049	10.9
491.18787	0.9
509.19946	4.9
518.22919	1.5
527.20905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66824	1.0
55.05526	1.5
57.07084	57.2
57.81594	1.1
61.65741	1.1
69.07060	7.1
71.08636	51.7
73.06531	4.5
83.08628	1.3
84.98827	1.1
85.10188	31.9
87.04474	2.9
89.06032	96.4
93.05583	1.1
94.96961	1.1
97.10191	2.4
99.11723	1.5
107.82104	1.2
111.11726	2.2
113.13279	1.2
117.09135	1.8
127.14784	1.7
133.08597	38.7
151.39366	1.1
177.11205	10.7
215.35484	1.4
221.13884	1.7
230.20251	1.3
236.79170	1.4
241.99167	1.2
261.36169	1.3
271.26355	5.1
301.42389	1.2
315.29028	5.9
327.20132	19.8
395.60156	1.3
421.35129	1.3
453.79114	1.4
465.37811	2.6
495.85071	1.4
509.40491	100.0
526.43170	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06833	1.5
57.07086	30.3
59.61655	1.3
62.83097	1.2
69.07083	1.6
71.08635	23.4
73.06544	2.6
75.59411	1.2
83.70977	1.4
85.10197	17.2
87.04450	3.0
89.06035	100.0
92.97305	1.4
117.09127	2.2
125.32254	1.5
131.85562	1.4
133.08597	30.9
177.11237	8.9
221.13818	1.7
271.26349	2.5
315.28958	2.7
327.20050	20.3
509.40494	70.6
515.35004	1.4
526.43146	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	526.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
57.64537	0.1
57.67027	0.1
58.75644	0.2
60.48067	0.2
63.59629	0.2
64.74235	0.2
70.06583	0.8
84.08134	0.8
85.08931	2.8
87.52945	0.2
92.18414	0.2
100.11262	100.0
126.02483	0.2
162.23320	0.2
165.36905	0.2
234.36661	0.2
404.25409	2.6
526.29224	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80845	2.2
55.05509	5.7
61.93386	2.2
67.05502	4.1
68.23761	2.6
69.03424	2.6
69.07072	6.4
71.05006	2.8
73.53122	2.7
81.07059	10.7
83.08624	13.1
85.02898	15.9
87.00832	4.9
95.08596	15.9
97.02907	5.1
97.06573	2.8
97.10173	14.5
99.04457	3.4
100.11656	2.4
105.01871	4.5
107.08590	3.1
109.02869	5.8
109.10161	14.6
119.08576	13.8
121.10124	5.2
123.11696	12.5
125.09624	2.6
127.03934	20.6
129.01813	2.6
133.10114	14.7
135.11707	2.9
147.11673	3.1
151.07692	2.5
151.11208	5.2
155.38387	2.6
161.13242	2.7
162.30075	2.4
165.16325	10.3
176.44165	2.6
189.16373	40.1
207.17456	12.3
209.08060	3.7
225.18462	10.2
243.19495	19.7
261.20605	100.0
322.88544	2.9
402.22113	2.5
461.17007	2.9
473.23291	2.7
492.75604	2.5
527.70575	2.6
549.56647	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	526.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99593	8.8
65.33588	0.9
65.34236	1.0
66.75800	0.9
76.02235	100.0
76.03989	1.4
76.47946	1.0
81.07067	1.0
84.04508	8.4
85.52219	0.9
88.05599	1.0
92.88531	1.2
95.08613	13.8
107.08579	1.7
109.10135	4.9
116.01675	20.3
117.68652	1.0
119.08588	1.3
121.10169	2.2
123.08047	5.2
123.11665	1.8
129.06581	1.2
130.05016	9.3
142.03232	4.6
144.01137	19.5
145.10101	1.2
149.13268	5.3
159.11635	1.8
162.02203	87.2
163.11209	1.6
170.02744	2.3
179.04857	100.0
187.05392	5.3
201.16307	7.9
215.04898	2.4
219.17406	20.8
233.05922	32.2
245.05817	2.3
251.14587	19.5
308.09085	40.3
397.21564	24.1
424.66260	1.2
451.22540	4.9
526.25818	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37431	0.5
53.21712	0.5
57.03425	0.8
61.02944	0.9
69.03439	4.2
71.04990	0.8
72.08150	0.9
73.02898	0.5
79.05478	2.4
81.03408	0.7
85.02908	41.3
85.03428	1.3
91.03967	3.3
91.05489	3.9
91.29961	0.5
93.07047	100.0
95.04971	2.0
97.02891	9.7
99.04420	1.3
105.04517	0.6
105.07034	0.7
107.08602	0.9
109.02877	3.5
111.08076	0.7
115.03915	0.6
121.10145	51.7
124.52869	0.5
127.03927	11.8
131.04893	0.6
136.63878	0.5
137.05994	0.7
145.04951	16.9
149.05986	2.2
149.09625	36.4
161.05972	7.0
163.05997	7.4
167.07039	3.4
167.10674	44.0
179.07101	1.0
191.07076	0.7
202.86974	0.6
203.07037	5.5
221.08124	3.3
233.08138	2.3
261.17285	0.6
289.09329	0.8
297.11023	0.7
325.11307	9.9
329.15915	0.8
355.12091	0.6
357.13324	2.5
375.14294	1.0
387.14334	0.7
412.26654	0.6
482.12195	0.6
535.36487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47444	0.6
53.03931	0.6
60.44672	0.6
60.68434	0.7
61.02945	0.9
64.74628	0.6
68.32500	0.6
69.03406	1.5
71.60335	0.6
73.02924	0.9
79.72213	0.7
85.02913	16.5
91.03928	1.0
91.05466	4.6
92.18437	1.7
93.07044	27.0
95.04941	1.3
95.06001	0.8
97.02882	4.4
97.11002	0.7
99.87788	0.7
109.02862	1.6
119.04933	8.3
121.10156	12.6
123.04438	2.9
127.03926	4.0
131.04915	1.4
137.05991	14.2
140.04720	2.6
145.02878	0.9
145.04964	4.7
147.04410	6.7
149.09622	7.3
151.07556	5.5
155.07024	12.1
161.05937	1.5
163.03873	7.3
163.06076	1.5
165.05479	11.3
167.07034	30.7
167.10664	11.8
175.03896	7.4
179.07030	61.8
180.08749	1.7
183.06543	0.8
193.03207	4.0
193.04971	1.5
195.06525	0.8
197.08078	5.8
225.07578	100.0
265.04904	5.7
271.86255	0.8
279.06555	1.1
283.09644	2.9
285.07565	3.3
297.07413	1.0
299.09052	12.4
302.07831	4.3
311.09268	5.9
317.10202	8.1
325.11365	3.6
329.10187	9.9
332.79333	0.8
347.11261	24.2
355.11627	0.8
363.05957	0.8
387.14523	3.5
526.29749	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	526.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93980	0.5
52.05283	0.6
55.28373	0.6
61.02912	0.7
69.03422	2.5
77.83604	0.7
85.02911	8.8
87.85793	0.6
89.91699	0.6
92.17841	0.7
92.69476	0.9
97.02892	4.3
100.06123	0.7
106.71279	0.7
109.02896	0.9
114.92455	0.7
121.06519	2.7
122.03738	0.8
135.04390	1.0
136.36351	0.7
137.05989	100.0
145.04889	1.1
147.04431	1.2
149.06000	7.0
158.75204	0.7
161.06020	7.6
163.03923	1.4
165.05481	1.6
167.07018	2.6
177.05525	2.9
178.02705	1.2
179.07050	1.0
181.04953	5.2
181.06459	2.3
193.05006	4.5
203.07057	7.0
205.04953	1.3
211.07558	1.1
213.09157	4.2
221.08017	3.1
225.07071	0.7
239.07063	1.3
241.08607	3.5
257.08087	1.0
267.06635	2.4
279.06668	1.2
283.09662	1.2
285.07651	3.5
297.07523	5.3
299.09155	57.3
311.09021	1.5
317.10190	24.2
329.10202	37.0
347.11261	27.1
465.59402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07692	0.2
52.29599	0.3
55.01882	0.2
60.22007	0.2
70.06573	0.5
71.17114	0.4
72.08138	0.4
83.02827	0.3
85.02966	0.3
91.05490	2.5
107.04960	0.5
109.06503	0.5
113.08855	0.3
119.04913	3.5
126.38122	0.3
131.04929	2.0
133.06525	3.8
136.05211	0.6
137.04918	0.5
137.05980	16.5
147.03314	0.6
147.04393	6.5
149.06024	0.4
151.07549	7.0
155.07088	0.4
161.06004	0.4
162.06731	0.4
163.03900	0.6
163.07576	3.2
164.07890	1.5
165.05484	10.5
167.06992	0.3
175.07535	8.7
177.05450	0.3
177.07738	0.4
177.09109	5.3
178.09467	4.3
179.07030	64.8
183.06546	1.5
193.03217	5.3
193.04898	0.7
195.06516	0.7
197.08089	6.2
205.08600	0.4
209.08081	0.4
209.48347	0.3
210.08940	0.5
221.11722	1.1
222.12042	1.3
225.07574	100.0
235.09651	6.9
311.12851	0.5
355.11713	2.7
359.14932	0.4
387.14481	2.3
444.71414	0.4
445.21198	0.4
526.25262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72630	0.5
54.11333	0.6
67.87402	0.5
68.73297	0.6
69.03432	1.1
81.13405	0.7
85.02901	4.1
91.05470	4.1
93.07024	1.6
93.57383	0.6
95.04985	0.7
99.67931	0.7
99.78408	0.7
108.33147	0.7
113.78271	0.6
119.04942	7.6
121.10111	0.9
122.45324	0.6
123.04430	0.8
127.03932	0.7
131.04915	2.5
133.02802	0.8
136.05197	1.0
137.05981	14.5
140.04704	1.6
145.02834	0.7
147.04425	7.9
151.03989	0.7
151.07530	6.2
155.07010	8.7
163.03935	4.3
165.05461	12.2
167.07021	16.4
167.10719	2.6
171.08275	0.7
173.25191	0.7
175.03938	5.2
179.07027	69.7
183.06520	1.0
193.03293	4.6
193.04752	0.8
197.08092	5.4
225.07574	100.0
265.05026	2.6
283.09720	1.3
285.07574	1.1
297.07642	1.1
299.09152	7.3
301.22174	0.7
302.07831	1.4
311.09042	1.6
317.10248	4.3
329.10251	6.7
347.11237	15.5
355.11835	1.6
387.14423	1.3
403.26025	0.8
450.27371	0.7
526.29242	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85062	1.2
85.02913	7.9
91.05483	1.4
93.07070	2.3
97.02872	2.4
106.04198	1.8
107.04980	2.3
107.33440	1.4
111.27871	1.4
119.04951	2.0
121.06486	6.5
131.04941	6.4
137.05986	86.4
141.70894	1.6
149.05983	32.4
153.05435	2.4
153.09073	1.7
161.05975	100.0
163.03929	5.8
163.07530	3.0
165.05504	1.7
167.07040	38.8
175.07544	10.5
177.05450	8.7
179.07060	6.8
180.07727	10.4
181.05031	2.4
181.08617	2.5
191.07066	15.1
192.07851	8.9
193.04958	2.5
195.06573	2.7
203.07043	100.0
205.08607	2.2
209.08131	12.6
213.09125	1.4
221.08084	42.0
223.04253	2.4
223.07449	1.8
232.52219	1.3
233.08063	19.7
239.07100	2.0
241.08725	1.9
255.10213	1.8
283.09677	5.6
285.07642	1.8
295.09479	1.8
299.09103	52.6
311.09137	2.2
315.12216	2.8
317.10217	17.5
325.10727	5.3
327.12381	1.7
329.10257	28.3
347.11255	25.5
355.11789	2.9
357.13223	27.9
369.13312	2.7
375.14511	20.5
387.14395	11.1
443.84238	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	526.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
62.44168	1.2
67.05518	1.3
69.03420	1.7
69.07065	2.7
69.74140	1.2
70.06589	9.1
71.04980	1.6
72.08154	8.0
75.72529	1.2
81.03446	1.6
84.08145	2.8
85.02934	10.9
91.05470	2.7
93.07061	2.3
97.02910	2.0
98.06055	1.3
99.04465	5.5
101.02368	11.5
103.05504	2.6
106.04164	2.6
107.04968	3.0
107.08600	1.8
108.87141	1.3
110.82244	1.4
113.06018	6.1
121.06516	6.1
121.07716	1.4
121.10163	14.5
125.05991	17.1
131.04915	7.4
132.05745	1.8
135.11685	2.8
137.05957	3.0
139.11180	3.1
145.10121	1.5
149.06004	21.9
153.05464	3.3
153.09109	2.3
153.12770	5.3
161.05978	100.0
163.03889	7.1
163.07553	2.4
163.11186	12.1
165.05479	1.4
167.07036	38.8
175.07480	11.1
177.05452	9.3
179.06999	2.6
180.07809	8.3
180.99606	1.7
181.12219	22.5
191.06963	12.0
192.07722	9.3
195.06538	7.7
199.13309	70.9
203.07045	95.0
205.08536	2.0
209.08043	10.3
217.14317	2.1
221.08073	51.0
223.04266	2.7
233.07970	18.9
253.55473	1.5
283.09659	5.3
297.11383	1.7
315.12247	2.9
325.10672	2.3
327.12155	2.6
355.11752	1.5
357.13348	25.2
369.13187	7.1
375.14401	21.1
376.82724	1.6
387.14267	11.1
517.22070	2.8
526.25861	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	526.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78968	0.8
69.81827	0.7
70.06570	0.9
90.79922	0.7
91.05471	1.1
93.03408	1.8
103.05474	3.6
106.04158	1.8
107.04939	3.7
119.04958	0.7
121.06495	6.7
125.06001	1.2
131.04948	6.2
132.05688	1.0
135.04407	1.4
137.06010	1.2
148.05234	1.3
149.05988	23.9
151.07518	0.9
153.05450	1.3
153.09068	1.2
160.05206	1.6
161.05975	100.0
163.03938	1.4
163.07588	5.7
167.07048	41.7
175.07556	10.0
177.05478	9.5
179.07071	3.7
180.07816	8.8
181.08647	3.2
182.09435	0.8
188.04581	0.9
191.07040	12.4
192.07838	9.4
193.08498	1.3
195.06525	7.0
195.08054	0.8
203.07042	92.1
205.08606	1.8
209.08096	12.7
211.09654	1.8
214.18153	0.7
215.06891	1.0
221.05910	1.6
221.08083	41.6
223.04227	3.8
223.07574	1.0
233.08083	16.3
237.09143	1.4
255.10300	1.0
256.41708	0.9
265.08524	1.2
283.09637	5.9
295.09546	1.8
297.11258	1.6
307.09500	1.0
315.12335	7.0
317.39111	0.9
325.10739	3.5
327.12415	1.5
355.11627	3.2
357.13333	25.0
369.13312	7.0
375.14368	20.8
387.14365	9.7
484.37543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.3
57.08672	0.1
58.06612	0.2
70.06590	0.7
84.08173	0.2
85.08933	2.5
100.11265	100.0
104.05885	0.2
165.07497	0.2
194.25322	0.2
289.05228	1.3
386.24460	0.9
390.53683	0.2
395.19843	0.9
403.27042	4.7
508.28207	0.8
525.23108	5.4
525.30872	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	525.3199
Annotation	Oncostemonol A
Peak:m/z	Relative Intensity
70.94540	2.2
71.10659	2.1
72.08157	6.0
79.05497	3.0
93.07047	24.1
93.58179	2.4
107.08613	4.6
113.10778	27.3
114.09170	57.5
115.08686	4.6
121.10133	28.4
131.11790	13.8
144.08116	5.8
149.09622	2.9
150.14366	2.3
155.33493	2.6
156.11327	24.4
159.09190	4.9
170.09644	29.7
171.10446	5.6
173.13977	28.4
188.07050	4.2
202.14629	2.7
249.41328	2.4
339.23856	11.2
375.57593	2.6
380.69946	2.8
525.23035	21.9
525.31799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62760	1.7
55.05513	9.5
55.55323	1.7
56.32297	1.7
57.07080	9.0
67.05507	12.2
67.37554	2.2
68.91906	1.9
69.07080	24.1
69.42855	1.9
69.68382	2.0
70.06588	9.5
71.04969	3.7
71.08648	3.1
72.08148	12.3
79.05491	10.0
81.03403	3.0
81.07058	80.3
83.08636	17.6
84.08140	3.4
85.02903	15.1
85.06540	4.2
86.09707	2.3
91.05456	3.7
93.07041	25.5
95.08610	84.6
97.10163	9.1
99.08095	5.3
105.07033	8.7
107.08604	39.5
109.10156	90.3
111.08064	10.8
111.11732	8.3
113.09661	4.0
119.08590	9.8
121.10145	36.8
123.11700	55.4
125.09631	3.8
125.13257	2.8
127.03989	3.8
127.11153	11.2
133.10161	5.2
135.11682	28.5
137.13252	22.5
147.11688	11.2
149.13257	43.5
151.14848	9.6
153.12668	3.4
156.79155	2.1
161.13289	15.5
163.03912	14.2
163.07549	2.3
163.14792	24.2
175.14784	4.9
177.05452	5.2
177.16454	19.1
189.16431	11.9
191.17963	13.8
203.17986	3.7
205.19440	7.3
207.06563	11.4
217.19543	11.4
221.08109	30.2
222.08499	9.6
247.24260	3.7
273.25732	21.7
279.26822	9.5
291.26852	46.6
309.27875	100.0
327.28952	71.3
345.30032	5.3
406.17468	2.4
408.19342	3.0
429.19891	2.6
441.32156	4.4
453.18655	2.8
471.33224	11.7
474.06595	2.5
489.34088	10.3
516.23260	4.3
525.23871	20.7
525.74414	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	525.2712
Annotation	Safracin A
Peak:m/z	Relative Intensity
58.06590	1.3
62.04300	0.7
68.53759	0.6
69.07073	0.6
70.06599	20.7
72.08163	18.6
75.01563	0.6
76.33394	0.6
76.51208	0.6
76.65604	0.5
77.12085	0.7
81.07063	1.4
84.08135	6.5
85.02911	0.8
89.10752	1.0
93.07020	1.2
95.07993	0.7
95.08582	2.2
98.06061	1.2
105.07012	0.7
107.08610	1.6
109.10155	0.8
112.11249	0.7
114.10310	1.4
123.04432	3.3
123.11768	0.8
127.03900	0.9
135.11693	0.7
147.04407	0.8
147.08032	0.8
149.13266	1.1
162.05508	0.9
163.03894	4.2
164.07133	0.9
191.14417	0.9
258.07880	0.7
270.11188	5.9
271.04419	0.8
277.17688	0.9
281.10495	2.7
285.12213	0.8
289.05255	5.0
295.10922	1.5
309.12314	1.2
310.10736	11.1
312.12271	2.6
313.04633	0.7
320.11688	1.4
337.11841	1.3
338.10303	1.0
351.13531	1.3
352.11856	3.2
367.16422	2.7
378.14267	1.2
379.12424	0.9
379.16727	1.4
381.18152	2.8
384.19180	0.8
398.20773	8.1
409.17557	4.7
419.40491	0.7
436.18484	6.2
437.17004	5.6
439.23300	0.9
454.19296	0.7
466.26120	0.6
481.23505	1.1
497.27231	1.0
507.26230	1.5
508.24316	3.5
525.27484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04812	0.4
58.06609	0.7
69.03413	0.4
70.06591	1.1
71.26759	0.5
72.08160	11.9
79.05497	0.6
81.07084	0.5
84.08149	4.3
84.61781	0.5
88.86520	0.5
89.10818	0.4
92.18452	1.2
93.07018	0.6
95.08647	0.8
109.10159	0.8
112.11253	7.6
114.09189	0.7
119.08561	0.5
121.10125	0.5
127.03956	0.5
129.13905	2.7
135.04460	2.3
145.02872	2.7
155.11803	2.9
163.03906	76.0
176.07086	18.2
218.08153	5.9
219.11324	0.8
220.09691	86.8
275.13907	6.4
289.15475	14.4
291.17242	0.7
306.18158	0.9
309.27719	0.7
346.21304	11.9
357.13049	0.5
363.23895	14.1
363.28101	0.8
397.91205	0.5
403.37595	0.6
525.27185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2331
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
62.30213	0.8
68.06982	0.7
88.52596	0.7
100.83171	0.8
103.05496	1.1
107.04957	1.1
112.60059	0.7
131.04942	9.7
137.05991	17.5
147.74139	0.9
151.07558	4.0
161.06021	0.8
163.07538	41.4
175.07530	1.5
177.09106	100.0
195.10176	6.5
199.11055	0.7
221.11714	24.5
221.13806	1.0
223.07549	3.1
224.07944	1.4
229.08611	1.0
255.10228	7.6
256.10580	11.9
269.11801	0.8
297.11209	0.9
298.11594	4.2
315.12314	4.4
316.12558	11.3
345.17035	3.3
429.27805	1.0
515.71460	0.8
525.22491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24212	0.4
70.06588	0.7
70.40156	0.4
81.07076	0.7
85.08939	0.7
93.07065	0.5
95.08603	0.7
100.11266	59.5
107.08614	0.7
121.10185	0.7
123.91402	0.5
128.56891	0.4
193.36012	0.5
203.05313	2.1
212.16533	0.4
218.61810	0.6
238.23390	0.5
245.06384	3.0
259.16696	6.7
277.17764	7.5
287.03815	2.8
289.05316	16.2
312.13867	0.4
327.39661	0.5
334.04999	0.5
403.27148	3.0
439.23145	8.5
481.24240	8.6
507.21741	0.6
525.23151	100.0
525.30554	8.2
552.23187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.231
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
63.54581	0.7
66.01319	0.6
67.63715	0.9
69.07068	0.7
72.08167	1.2
73.56849	0.7
79.05479	0.9
81.07053	1.9
85.02866	0.9
88.14156	0.8
95.08586	1.6
97.06534	1.1
100.11270	9.2
105.07005	1.2
107.08588	1.4
109.10142	1.8
114.09142	3.8
114.12771	1.0
117.17464	1.0
137.05930	0.8
137.13232	0.7
145.10080	1.6
161.13205	1.3
169.04739	0.8
170.09651	5.7
193.08597	1.0
245.06224	1.7
259.16611	1.9
266.80576	1.0
277.17844	7.5
289.05338	15.1
319.18716	1.3
421.21851	1.9
439.23074	13.0
463.22867	1.7
481.24084	16.6
507.22391	1.2
525.23010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84301	0.6
54.45420	0.5
55.05509	1.1
57.03443	2.7
58.06608	15.9
59.07384	6.6
59.79517	0.5
60.08173	7.5
67.05500	4.2
69.07054	1.5
75.04469	0.9
79.05482	1.0
81.07055	3.5
85.02922	1.3
87.04474	1.6
93.07047	1.5
93.32310	0.7
95.08589	3.4
107.08617	1.0
109.10139	0.7
121.10146	0.9
133.71664	0.7
144.10210	11.4
144.11220	1.0
162.11240	2.4
171.39973	0.8
218.13928	0.7
236.14917	100.0
244.98668	0.7
312.82916	0.7
506.38281	10.7
524.39459	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2316
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
63.30696	0.4
65.94566	0.4
86.06039	0.5
97.06554	0.5
105.07034	0.6
113.08920	0.6
120.08118	0.5
121.10100	0.6
123.11736	0.8
159.08061	0.5
162.32272	0.5
174.98334	0.5
245.06226	1.2
277.17526	5.2
289.05286	0.6
295.17596	0.6
421.22656	0.5
439.22787	3.8
465.15283	5.0
481.24026	12.6
500.36536	0.6
525.23071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	5.9
60.08161	3.0
67.05497	3.4
69.86790	2.4
87.04433	2.9
99.79042	2.3
109.20963	2.4
131.07085	3.7
144.10187	5.6
162.11270	3.0
167.81160	2.6
175.49776	2.6
176.79906	2.8
236.14903	100.0
266.87860	2.9
506.38605	5.0
524.39471	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	524.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61385	0.4
50.69290	0.5
55.72612	0.5
57.03444	0.9
58.06360	0.6
58.06613	12.7
59.07381	3.0
59.94408	0.4
60.08185	6.4
60.68338	0.4
66.69022	0.5
67.05503	0.8
75.04483	1.1
76.96400	0.5
79.05502	1.0
81.07053	1.3
85.02914	1.2
87.04463	2.4
87.77293	0.5
92.18030	1.9
93.07027	0.7
107.08567	0.6
121.10068	0.6
144.10204	8.1
162.11206	4.3
163.34677	0.6
209.90880	0.5
218.13870	0.8
236.14935	100.0
440.47665	0.6
506.38513	7.6
524.39508	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12487	2.5
55.05534	3.9
57.07060	2.4
58.92134	2.2
67.05488	3.8
69.07095	4.9
75.97750	2.9
77.97441	2.7
81.07073	18.6
83.08612	6.4
84.30795	2.7
95.08597	14.0
97.10178	12.1
109.10144	5.7
123.11723	3.1
124.53731	2.9
145.01859	2.8
145.02808	22.9
177.05493	100.0
195.06584	5.8
264.49948	3.1
285.27835	38.0
291.93503	3.3
295.91168	3.5
312.36270	3.3
461.32822	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64811	0.2
58.06611	2.4
62.06117	0.3
64.46037	0.2
64.82849	0.3
64.97679	0.2
67.05501	0.6
69.03435	0.6
69.07064	3.2
70.06593	1.1
72.08160	0.6
84.08154	6.5
84.45868	0.2
85.02902	0.3
85.08940	2.4
86.09716	4.1
90.12599	0.3
95.04965	1.4
95.08640	0.3
97.06526	2.8
107.04964	1.5
114.12809	100.0
119.04952	0.3
124.07590	0.4
126.05533	1.0
130.08665	0.3
130.12263	1.1
131.73157	0.3
132.10199	1.0
133.06447	0.3
135.08136	0.3
139.11263	0.3
141.01764	0.3
141.10239	1.3
145.67049	0.3
149.05943	0.3
149.09612	1.5
152.10704	7.2
155.09392	0.4
158.11763	19.1
160.75903	0.3
161.09679	1.9
163.03877	0.7
173.09641	1.4
180.10211	2.9
180.13831	2.5
182.15404	0.3
190.12283	0.3
191.10664	1.1
193.08615	1.8
200.10721	0.3
208.13304	0.3
209.08104	1.5
218.11940	0.3
223.14389	0.3
226.14410	1.4
251.11995	0.3
255.11282	1.3
267.11169	0.4
274.56296	0.3
279.11340	2.0
295.10822	0.6
305.09152	0.6
307.10803	0.5
311.19641	11.2
313.11841	1.3
314.12543	0.4
325.21213	0.9
339.22955	0.4
351.09784	0.4
355.12811	0.6
383.12485	0.4
400.28107	2.9
401.13419	6.1
489.05304	0.3
524.33362	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86389	0.7
57.95290	0.6
61.02937	0.8
69.03422	1.1
81.03436	0.8
85.02908	10.9
96.66492	0.7
97.02889	3.5
125.05996	1.8
127.03864	1.7
131.04926	23.3
137.05992	16.8
145.04915	1.0
145.06517	4.8
149.05989	1.6
158.70914	0.9
173.05984	38.6
175.07564	2.6
180.08670	3.2
191.07074	6.4
195.08087	1.2
203.07100	0.8
209.09816	0.8
219.08003	0.8
223.07620	6.5
237.09079	7.8
247.07590	4.4
255.10155	100.0
265.08618	5.3
269.11719	1.5
279.10153	20.5
297.11218	94.2
309.11435	1.2
315.12265	60.9
327.12161	7.2
345.13379	10.4
524.21545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60659	1.5
64.35874	1.6
65.31326	1.4
65.80955	1.4
67.05514	1.8
81.07056	7.2
83.82086	1.8
95.08597	4.0
97.82778	1.6
101.72217	1.9
107.08569	3.1
109.06529	2.2
109.10188	2.4
111.04461	17.4
116.40770	1.8
119.08572	2.7
121.10142	6.9
121.14670	1.8
123.11712	2.5
125.06012	4.3
133.10092	2.2
135.11702	3.0
137.05992	100.0
137.13297	3.1
147.11688	3.1
149.09616	7.3
149.13208	2.2
151.07538	2.1
157.10193	2.4
161.09634	3.9
163.11244	2.7
165.08971	1.8
175.11206	3.8
203.17987	10.5
231.17474	16.8
241.15947	2.6
249.18501	10.9
257.69812	1.8
277.17947	29.5
295.19070	3.4
320.22415	2.3
351.21649	31.5
383.24277	52.9
383.29099	2.5
492.23563	10.0
524.26178	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	524.159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86315	1.2
65.03935	1.4
75.04475	1.8
79.19200	1.3
83.23972	1.5
85.02912	1.7
90.36824	1.4
91.05473	9.4
92.17785	1.6
93.03400	13.4
93.07029	2.6
95.04967	2.6
98.06064	1.3
103.05468	14.2
106.04171	14.6
107.04955	3.5
117.07026	1.4
119.04897	2.4
121.06507	25.2
123.04443	6.5
125.05995	9.8
131.04941	18.1
132.05711	8.2
137.05966	6.1
139.07503	2.7
145.02881	2.3
145.06497	6.6
147.04462	2.5
148.05171	6.1
149.05984	50.8
151.07549	2.7
153.05441	2.5
153.09122	9.3
154.06207	2.2
155.07095	2.8
159.04366	2.2
160.05234	10.8
161.06065	2.3
163.03876	1.8
163.07486	11.7
165.05464	7.5
167.07040	76.3
173.05966	27.6
175.07581	5.5
176.43083	1.7
177.05460	44.3
179.07071	15.4
180.07813	32.5
181.08623	16.9
182.09395	12.7
191.07043	41.2
192.07819	46.6
193.04945	13.4
201.05469	19.2
204.04190	30.0
209.08095	60.3
210.08923	2.6
219.06525	100.0
221.47194	1.6
223.04279	3.5
231.06575	11.2
249.07591	30.1
255.39561	1.6
263.07190	2.3
353.10153	6.1
355.11789	8.5
367.11911	3.1
373.12781	27.9
385.12909	13.4
468.57108	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56236	0.3
55.01869	0.7
56.17333	0.3
65.03918	0.6
68.99796	7.2
79.05488	2.0
81.07079	0.4
86.86555	0.4
87.22882	0.4
91.05486	12.6
92.18360	0.6
92.41747	0.5
95.04987	1.0
97.30341	0.4
103.05425	0.6
105.03364	0.9
105.07021	1.9
107.04954	2.2
109.06516	0.7
117.03360	2.1
119.04947	16.2
121.02869	3.1
121.06509	2.3
124.05111	0.5
125.05981	2.3
130.04124	0.6
133.02867	0.5
133.06485	2.9
134.03593	0.7
135.04427	4.7
137.05992	7.1
139.07625	1.5
143.05875	0.5
145.02866	0.8
145.06551	0.5
147.04428	14.5
149.05995	1.6
150.20718	0.4
151.07538	5.8
153.05473	2.0
161.05952	5.1
162.03113	0.7
162.06783	6.3
163.03905	21.3
164.25700	0.5
164.93637	0.4
167.07051	3.8
177.05464	1.9
179.07027	13.3
180.04205	7.2
181.04951	1.7
193.03217	4.2
195.06535	16.4
207.06628	0.4
208.03685	2.1
223.06018	100.0
249.07666	0.5
261.07635	0.5
282.07898	0.5
353.10306	3.9
371.11298	3.8
385.12833	3.6
403.13925	0.6
521.12195	0.4
524.27118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.8
55.05515	7.5
57.03442	6.7
58.06593	7.4
60.08179	6.2
61.02942	33.5
67.05522	47.2
69.03417	20.3
69.07059	5.1
73.02907	17.3
73.45149	3.0
73.79788	3.3
79.05492	34.1
81.07059	47.0
85.02909	37.5
87.04486	4.4
91.03943	17.9
91.05474	18.8
93.07049	40.2
95.04986	4.3
95.08605	27.8
97.02889	28.5
99.04442	5.3
101.02354	4.2
105.07006	19.1
107.08599	17.8
109.10157	14.4
119.08562	20.4
121.10169	24.1
123.11685	5.3
123.43957	3.3
127.03905	4.5
129.05498	6.0
131.08566	13.9
133.10152	7.9
135.11678	7.5
144.10190	6.5
145.10132	7.2
147.11618	5.8
150.97630	3.4
157.10161	3.9
161.13232	4.1
185.13239	4.4
208.90659	3.6
236.14935	100.0
237.15250	45.8
361.27493	28.9
373.71451	3.8
505.37173	7.9
523.31268	48.1
523.39417	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14688	1.3
65.03920	1.3
72.08141	1.7
75.04476	1.9
85.02898	3.1
86.47832	1.6
91.05470	7.8
93.03413	15.3
93.07049	6.1
95.04970	2.6
103.05474	12.7
106.04173	13.5
107.04958	6.2
109.02841	1.9
115.14670	1.5
119.04924	7.9
121.06497	30.1
123.04427	6.6
125.05993	11.6
131.04929	20.3
132.05692	12.6
133.02844	1.4
133.06519	1.9
135.08118	2.1
137.05981	3.4
139.07489	2.0
145.02818	2.4
145.06497	5.9
147.04407	3.3
147.08072	2.5
148.05226	3.2
149.05966	49.9
151.07520	6.9
153.05446	3.4
153.09094	11.7
155.07045	2.3
159.04362	2.7
160.05176	10.7
163.07529	12.3
165.05463	6.1
167.07031	78.8
167.08398	3.1
173.05989	28.2
175.07475	2.4
177.05457	51.4
177.06923	2.3
179.07019	14.0
180.07817	32.0
181.08606	14.9
182.09428	10.4
191.07039	49.0
191.08754	1.9
192.07826	50.8
193.05043	15.9
201.05502	22.7
203.07104	2.1
204.04173	39.3
204.52080	1.6
209.08081	56.9
210.08858	3.0
213.05498	2.2
219.06517	100.0
231.06512	13.0
241.14470	1.6
249.07515	37.5
316.63568	1.5
321.07449	1.5
353.10172	5.8
355.11646	10.8
367.11804	3.2
373.12817	25.8
385.12802	25.4
403.13870	5.6
496.23486	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06793	0.5
55.05512	0.6
55.40985	0.5
57.03439	2.6
58.06610	11.9
59.07382	3.0
60.08167	4.8
60.87923	0.6
67.05502	0.8
75.02212	0.6
75.04486	2.6
79.05510	2.0
81.07020	1.0
85.02884	0.7
87.04462	3.2
91.05476	1.0
93.07047	1.1
95.08601	1.4
107.08605	0.7
131.07063	2.5
141.53502	0.6
144.10184	7.4
162.11276	4.0
195.36769	0.6
218.13936	0.6
219.05241	0.7
220.71948	0.6
223.18625	0.5
236.14934	100.0
258.02109	0.5
274.09344	0.6
456.56189	0.6
462.29388	0.7
504.37076	7.5
522.37958	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27484	0.2
58.06603	0.2
60.07916	0.3
60.08175	3.9
69.07056	0.3
70.21222	0.2
70.81322	0.2
71.07370	0.4
81.07072	0.3
86.09716	22.1
93.26140	0.2
95.10934	0.2
104.10795	2.0
107.03862	0.2
125.00010	9.8
125.56173	0.2
126.27556	0.2
130.13869	0.2
141.07756	0.2
173.99278	0.2
184.07359	100.0
437.03418	0.2
504.34775	1.6
522.35632	18.0
528.35809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05533	0.6
60.07914	0.7
60.08173	12.4
67.05501	0.7
69.07066	1.1
70.71047	0.6
71.07359	2.5
73.53066	0.5
78.85689	0.5
83.08588	0.5
86.09711	36.9
97.10105	0.7
104.10755	80.6
124.99153	0.8
125.00008	15.0
149.13231	0.7
163.01581	0.8
184.07352	100.0
230.57611	0.7
231.47380	0.6
268.02203	0.6
504.34708	5.2
522.35571	54.0
543.03357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	2.2
67.10686	0.1
69.07079	1.6
70.06596	0.7
72.08157	0.4
84.08126	0.6
85.02931	0.1
85.08926	2.7
86.09719	0.8
88.42156	0.1
99.10481	0.1
109.10219	0.1
114.12810	100.0
120.37511	0.1
132.78322	0.1
339.35770	0.1
391.22284	0.6
522.31757	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	522.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	2.7
60.08172	45.0
66.32043	0.3
66.37853	0.4
67.05501	0.5
69.07063	3.9
70.47128	0.5
74.02455	1.0
81.07081	0.4
84.08147	9.9
86.09696	6.4
91.05492	0.6
95.04967	5.3
97.06529	6.2
100.11244	2.5
107.04290	0.8
107.04956	10.6
108.95967	0.4
110.06047	2.4
112.07591	0.9
114.09178	2.7
114.12804	0.8
119.04929	1.0
124.07584	2.3
128.27531	0.5
130.08635	2.3
131.04918	1.8
132.10258	0.8
141.10269	3.2
149.09654	3.7
161.09613	5.8
170.96681	0.4
173.09625	8.6
175.72968	0.4
180.13811	10.7
187.10933	0.9
190.12239	0.7
191.10643	3.4
208.13301	3.6
216.10158	0.6
218.11804	1.0
223.14410	4.1
226.14308	4.3
236.12895	0.5
243.16911	0.6
258.88614	0.4
263.93671	0.5
269.14987	2.5
272.44806	0.4
280.20187	0.4
286.18051	1.0
304.18808	0.4
339.22803	2.0
363.26605	2.8
373.68472	0.5
409.26834	0.6
417.53079	0.5
424.63629	0.5
522.35406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
55.01878	1.0
55.05520	2.3
57.03434	2.1
57.07081	5.1
67.05508	11.6
69.03427	5.7
69.07076	1.7
70.06596	2.2
71.04987	2.9
72.08167	1.9
73.02924	1.3
79.05528	1.3
81.03423	5.8
81.07060	11.4
83.05018	1.1
83.08595	1.7
85.02907	18.1
85.06553	100.0
86.09705	2.3
87.00829	4.5
87.04433	1.8
91.05495	1.8
93.07070	8.2
95.04961	1.1
95.06086	1.7
95.08607	15.5
97.02929	8.4
97.06538	6.7
97.10112	1.2
98.34708	1.2
99.04429	2.9
99.08097	2.9
104.07091	5.2
105.01882	5.3
105.07044	7.0
107.08621	12.5
109.02866	6.9
109.06539	1.4
109.09477	1.1
109.10165	8.1
111.08085	1.3
112.78667	1.1
113.07135	2.2
114.09177	1.4
115.97739	1.2
119.08620	8.8
120.08128	1.3
121.10129	9.5
123.07993	1.1
123.11689	2.8
127.03970	10.2
127.11230	2.5
131.08563	1.3
133.10156	4.8
135.11690	8.7
139.11256	1.6
143.08533	1.4
145.04994	4.4
145.08519	1.4
147.11713	5.2
149.13315	2.2
159.02917	2.8
159.11530	1.5
161.13274	2.9
163.14848	7.3
164.07118	1.7
171.10051	1.2
181.15912	2.9
187.08658	2.0
188.08878	1.6
195.10425	1.4
199.16943	8.2
203.17978	4.7
210.12778	4.8
211.13188	6.3
221.15282	1.7
221.19064	6.5
231.05006	1.6
239.20087	15.6
255.15036	4.1
256.15314	2.7
274.16336	2.1
315.10562	1.4
375.17755	2.1
385.18591	1.6
393.19098	2.2
411.20184	1.5
478.21927	1.3
478.33145	1.9
480.58069	1.4
487.25031	4.6
522.20703	2.3
522.26910	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.7
67.05506	2.2
69.07080	10.6
71.05004	13.0
79.05483	6.7
81.07063	47.8
83.08605	2.3
85.02915	9.6
87.00803	1.9
91.05442	1.6
93.07047	13.6
95.08617	18.9
97.02878	2.0
97.06554	2.5
97.10159	2.4
99.08045	1.9
100.11243	6.9
105.01875	6.5
105.07030	35.7
107.08587	19.3
109.10162	34.0
114.12794	3.2
119.08579	88.6
121.10138	6.2
123.11710	14.7
127.03909	5.3
127.11205	42.5
133.10133	15.6
135.11697	45.7
137.13293	1.9
145.04951	2.7
145.10078	1.5
147.10858	1.1
147.11714	18.9
149.13228	8.7
161.13278	6.3
163.14812	2.3
164.81168	1.5
177.16393	2.0
203.17946	51.8
221.19011	100.0
239.19958	10.9
249.05952	2.3
284.09836	2.7
415.82715	1.4
522.31274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.8
67.05508	3.3
69.03431	7.7
69.07085	7.7
71.05000	15.0
79.05493	10.6
81.07066	75.7
83.08630	3.1
85.02910	12.5
86.09134	1.8
86.09711	2.1
87.00845	4.2
91.05488	7.7
93.07043	29.3
95.08607	18.0
96.15517	1.9
97.02911	2.2
99.08106	3.7
100.44817	1.9
105.01867	12.5
105.07047	32.4
107.08604	44.0
109.10160	35.5
111.11654	2.5
119.08588	67.9
121.10128	8.5
123.11701	17.0
125.09633	1.9
127.03942	11.6
127.11210	18.4
129.15005	2.0
133.10155	30.8
135.11702	99.1
137.13228	1.8
143.10709	12.9
145.10141	2.4
147.11705	26.4
148.53268	1.8
149.13278	7.6
153.12770	3.9
161.13295	15.7
203.17952	58.0
221.19008	100.0
231.04973	2.9
239.20116	2.7
249.06161	7.9
325.11929	2.0
389.23856	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56960	2.9
57.39799	2.7
67.05511	7.2
69.03442	6.5
69.07071	23.6
71.04976	22.9
79.05494	6.3
81.03431	8.8
81.07074	47.6
83.08638	5.4
85.02907	32.8
85.06554	74.0
87.00838	8.9
89.58078	3.6
92.18415	5.1
93.07047	20.5
95.08608	100.0
97.02896	8.0
97.06526	61.3
99.08147	12.7
100.11253	16.5
105.01862	19.9
105.07039	20.4
107.08597	24.0
109.02896	15.3
109.10165	47.3
111.11710	4.2
113.09632	7.0
117.85480	3.9
119.08596	24.3
121.10142	47.7
123.08063	4.4
123.11691	22.3
127.03914	23.4
127.07528	6.6
127.11198	93.0
133.10121	22.5
135.11725	19.3
137.13278	7.4
139.11198	9.1
147.11656	32.1
149.13263	5.0
152.83147	3.6
159.02901	6.0
161.13243	19.8
163.14827	14.8
175.14809	6.5
177.16374	8.3
203.14270	5.2
203.17966	40.1
221.18967	42.1
239.16385	7.8
239.20036	90.3
257.17822	4.8
257.21103	42.7
487.25351	18.0
489.11118	4.1
522.30219	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06868	1.8
55.01863	2.8
55.05513	8.4
57.03422	2.4
63.76702	1.6
63.99215	1.7
67.05510	14.9
67.41293	1.4
69.03104	1.5
69.03436	14.9
69.03740	1.9
69.07072	16.5
71.03315	1.5
71.05000	25.6
73.33109	1.9
73.99731	1.6
75.53365	1.8
79.05499	8.6
81.03416	11.3
81.07073	34.3
83.04968	2.2
83.08621	10.0
85.02911	41.3
85.06552	82.1
87.00832	16.4
91.05473	3.5
93.07038	21.2
95.04931	2.7
95.08610	91.4
97.02893	14.7
97.06538	63.7
97.10149	3.7
99.04446	4.4
99.08092	15.1
101.06008	8.3
103.07619	1.7
105.01871	13.1
105.07049	16.4
107.08604	31.8
109.02887	12.5
109.10163	40.0
111.08089	11.0
111.11745	2.4
113.09631	3.9
114.12828	3.0
119.08591	32.5
121.09284	2.1
121.10145	49.0
123.11713	22.7
125.09642	3.3
127.03930	20.9
127.11201	86.1
133.10143	17.4
135.11700	15.1
137.13268	13.5
139.11172	26.0
141.12769	4.0
142.91821	2.3
145.04965	4.0
147.11699	25.3
151.11191	2.1
159.02855	4.3
161.13278	20.5
163.14798	17.5
165.12706	6.7
173.22108	1.8
175.14821	9.6
177.16304	12.9
179.14343	2.5
181.15894	4.3
203.17984	40.4
221.18994	53.8
231.05086	2.8
239.16428	5.0
239.20071	100.0
244.00781	1.8
256.98166	1.9
257.21109	34.0
329.20871	2.8
469.24460	3.8
487.25656	15.5
522.30157	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.1
65.82301	3.0
67.05517	4.7
69.03436	32.4
69.07062	12.4
69.27313	2.9
70.06605	2.9
72.08202	2.7
73.02900	5.3
81.03408	16.5
81.07058	20.8
83.04998	11.9
85.02905	88.0
87.00842	27.4
93.07056	17.1
93.27310	3.5
95.04966	18.6
95.08601	34.4
97.02902	27.9
99.04447	12.4
105.01868	44.7
105.07053	31.9
107.08612	24.9
109.02866	40.9
109.06472	10.1
109.10152	18.6
110.89107	3.0
119.08564	43.5
121.10148	28.0
123.08082	14.9
125.09663	4.2
127.03914	85.4
129.01779	2.9
131.08549	13.0
133.10121	50.6
135.08017	5.4
135.11702	15.3
137.09624	12.8
145.04962	20.3
145.10124	42.6
147.08052	7.5
147.11713	20.2
149.09613	12.0
157.10172	4.1
159.02863	28.9
159.11705	16.7
161.09605	13.4
161.13264	65.5
163.11142	11.6
165.09096	4.1
168.84290	2.7
170.09630	19.8
170.10899	5.3
171.10188	4.3
173.13266	11.9
175.14816	43.2
185.13235	59.2
187.14801	22.6
193.15877	5.0
202.14799	3.1
203.14305	73.8
205.15919	18.9
207.10204	12.3
221.15361	73.3
231.05026	17.6
239.16479	4.4
249.06122	15.4
413.14407	100.0
469.20593	14.6
522.25897	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	522.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45356	3.3
52.91662	3.1
53.03955	5.1
53.17950	2.8
55.05524	5.2
56.52847	3.6
57.03445	4.2
57.07081	3.3
59.04989	3.3
62.43645	3.1
67.05506	22.4
68.05165	3.2
68.47984	3.4
69.03441	31.3
69.07071	21.3
69.35623	3.2
71.04996	15.2
75.52020	3.1
79.05530	3.8
80.80733	3.9
81.03429	25.1
81.07071	38.6
85.02921	100.0
87.00842	42.8
87.04480	14.8
91.05479	6.4
93.07050	15.8
95.04979	7.1
95.08607	19.2
97.02913	40.1
97.10170	3.4
99.04478	35.6
101.02414	3.4
102.22612	3.8
105.01904	43.4
105.07040	8.3
107.08608	6.4
109.02885	57.1
109.10152	15.0
110.66687	3.6
115.03957	7.9
119.08591	34.5
121.10186	5.0
123.04529	4.4
123.08045	3.9
123.11715	16.8
127.03941	69.9
133.10146	8.3
139.11243	3.9
141.05476	4.6
141.12741	8.6
145.04996	16.2
146.78841	3.8
147.08083	3.6
159.02927	13.5
161.13248	27.1
175.14816	18.7
185.13307	5.7
189.12434	3.8
193.15909	5.6
203.14317	7.4
221.15309	26.0
231.05035	18.1
239.16400	69.2
257.17529	26.1
347.18628	8.5
425.21704	7.1
451.19733	54.8
469.20758	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	522.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49945	0.5
58.06609	5.0
61.60560	0.5
70.06571	1.1
72.08152	4.3
73.06405	3.0
73.65718	0.6
86.07181	3.9
87.07973	5.2
97.07641	0.9
100.08735	7.2
113.01678	0.8
114.10284	15.6
115.08713	2.5
125.01695	3.9
127.03264	3.2
130.12178	0.7
131.12926	0.9
135.05518	1.0
143.02678	0.9
157.10878	2.8
163.03857	4.3
165.05476	16.1
167.01674	0.6
167.03864	3.4
169.05437	1.2
172.13185	7.4
185.09842	2.5
186.10666	2.2
233.12796	1.1
234.11377	0.6
234.13637	2.4
235.11913	0.8
236.12756	0.8
247.05489	0.7
260.11688	1.4
260.27893	0.5
262.57782	0.6
265.16611	1.1
277.06467	2.3
277.14215	0.9
288.08002	6.4
289.06433	5.2
293.16092	16.2
294.16864	61.4
304.07416	1.2
305.05734	4.9
306.09091	1.2
308.18671	0.6
325.13470	0.7
331.08774	2.4
375.14819	2.0
377.16452	2.8
384.14661	2.1
385.13351	2.4
390.16074	0.7
400.14453	1.1
402.15976	13.8
417.17038	4.9
418.15381	15.9
419.18579	12.5
435.18112	25.3
461.23080	0.7
463.17542	15.2
478.26071	8.4
522.24933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38232	1.6
59.64949	1.4
95.94521	1.7
99.27338	1.6
101.19376	1.6
105.07027	23.1
115.05416	3.8
133.06500	37.8
143.06050	3.0
161.05962	59.6
193.08623	100.0
223.09721	3.3
251.09174	2.0
253.10696	35.0
389.65524	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	522.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81141	1.9
55.20650	2.0
60.41207	2.0
65.58286	2.1
67.05532	2.4
72.68814	2.2
75.04713	2.5
81.03457	2.4
81.07055	2.7
113.28224	2.2
125.09640	4.9
127.03896	2.7
130.66350	2.5
150.09181	2.1
163.03925	3.5
174.24875	2.5
203.17984	4.1
203.33632	2.3
231.10207	27.3
239.20020	9.6
249.11237	33.8
291.12268	100.0
293.45871	2.7
294.53055	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	522.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81546	0.8
51.55808	0.7
53.46335	0.7
54.11705	0.9
54.56948	0.7
56.65958	0.8
69.11369	0.9
84.04536	1.0
93.57136	0.8
95.03982	0.9
104.05827	1.1
105.07004	1.0
107.04962	5.8
131.04930	6.3
132.05255	2.1
152.43788	1.0
158.07310	0.9
159.08043	1.9
163.07559	1.6
167.07069	10.3
181.28186	0.9
187.07608	1.5
187.09499	1.0
201.09117	1.3
202.06264	1.3
203.14282	1.0
217.08517	11.2
219.08109	5.1
229.08586	4.7
233.09633	4.4
235.11200	1.2
247.07597	5.3
247.09853	1.1
248.08305	5.0
251.10712	4.3
261.09180	3.8
262.09894	1.5
263.10541	7.5
264.07852	6.1
275.07062	1.8
276.07709	4.0
277.08646	1.3
279.10095	12.9
280.10849	1.6
290.09378	4.1
291.10205	9.9
293.08118	5.6
293.11386	1.3
294.09024	1.4
296.10373	4.1
304.07202	1.5
305.07721	1.5
307.09665	7.1
308.10449	5.9
311.09296	1.2
311.12820	3.6
319.09665	4.1
321.07751	2.3
322.11835	1.7
323.12726	4.1
324.10037	1.5
325.10736	1.9
326.11603	1.4
335.09222	1.0
336.09955	4.6
337.10773	9.4
339.12378	1.8
350.11560	3.4
351.12329	5.1
353.10165	11.3
356.12512	1.9
368.12494	14.1
371.15079	8.3
383.14890	100.0
401.15930	61.4
471.74063	1.0
522.22266	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	521.3131
Annotation	C11300
Peak:m/z	Relative Intensity
55.05522	0.3
57.67105	0.2
65.86836	0.2
71.36431	0.2
76.56648	0.2
84.08140	0.4
85.08923	2.4
85.53577	0.2
94.60729	0.2
100.11263	100.0
107.04976	0.3
115.99438	0.2
137.06027	0.3
144.08122	0.5
167.07108	1.1
170.09677	0.5
296.39709	0.3
385.57480	0.3
395.07736	0.3
429.41504	0.3
476.79257	0.3
521.31311	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	521.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
65.68629	0.2
69.73764	0.2
70.06597	0.4
78.66217	0.2
79.13331	0.2
84.08125	0.3
85.08941	2.0
94.75172	0.2
100.11264	100.0
521.31256	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	521.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	2.6
62.06102	0.6
69.03439	0.6
69.07070	3.2
70.06602	1.7
72.08151	1.8
73.37827	0.4
81.07071	1.6
84.08159	2.4
85.02921	0.7
85.08911	1.9
86.06094	2.5
86.09709	26.1
95.04965	0.4
95.08614	0.9
96.68842	0.4
97.06531	3.0
104.40087	0.4
104.90774	0.4
105.07021	0.6
107.04952	0.4
109.10175	0.8
112.07572	0.6
114.09174	2.3
114.12810	100.0
116.97067	0.4
119.08537	0.6
121.10121	0.5
123.04350	0.4
123.88132	0.4
129.53737	0.5
130.12309	2.8
131.11797	3.2
133.10150	0.5
135.11911	0.4
137.05978	0.6
141.44528	0.4
147.04440	0.8
147.23846	0.4
158.11761	18.9
163.03922	3.2
180.10190	5.3
180.13759	0.6
189.09155	1.9
206.11798	0.9
208.13382	1.8
209.14130	0.6
210.14925	0.7
280.23355	0.4
324.17166	1.1
350.14969	2.5
366.34009	0.5
391.21762	0.8
395.07266	0.4
398.86127	0.4
452.37253	0.5
521.26532	2.1
521.33411	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	521.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74437	0.4
54.59888	0.4
57.03444	8.1
60.08175	1.9
61.02924	1.1
75.04465	0.6
86.09724	5.7
87.10049	0.7
89.03861	0.6
100.63733	0.4
117.03372	3.8
117.05499	15.0
125.00012	4.3
143.87079	0.6
143.88159	0.6
145.02849	32.1
149.06001	0.7
177.05473	100.0
184.07353	33.8
185.07687	7.4
203.22878	0.5
293.10406	1.9
393.07922	0.5
405.26526	2.3
472.58640	0.5
503.30087	5.2
521.34979	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	521.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.7
60.08156	1.3
61.02921	1.9
67.05511	0.3
69.07080	0.5
81.07039	0.4
86.09717	4.8
87.10020	0.5
89.03916	1.1
89.18247	0.3
90.28111	0.3
95.08589	0.6
117.03375	2.8
117.05496	18.0
125.00003	2.2
130.49644	0.3
145.02856	34.6
149.05984	1.6
177.05473	100.0
184.07349	18.0
185.07733	3.7
293.10291	1.6
333.23474	0.3
378.50650	0.3
405.26233	2.2
503.30011	5.5
521.33807	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	521.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85680	0.7
51.88018	0.6
55.01887	1.1
55.05508	3.5
55.84713	0.8
57.03450	8.4
57.07071	0.9
61.02913	1.2
67.05514	7.6
69.07084	7.0
71.08617	1.1
81.07055	9.2
83.08598	3.5
93.07037	0.9
93.50448	0.7
95.05034	0.8
95.08614	10.4
97.07552	0.7
97.10168	2.0
100.11257	1.4
101.60646	0.8
105.07039	1.1
105.17438	0.8
105.26091	0.8
107.08633	1.1
109.10168	6.8
117.03351	1.1
117.05499	15.6
119.08557	0.8
119.29256	0.8
123.11686	1.4
145.02863	33.2
149.05890	1.1
177.05476	100.0
268.04141	0.8
280.75119	0.9
293.10117	1.7
302.78763	0.8
327.25278	28.0
405.26154	1.3
503.30115	4.4
521.31244	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	521.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.3
58.06609	4.3
72.08157	2.3
83.52578	0.2
83.75034	0.2
84.08167	2.2
87.06878	0.3
100.07616	0.2
102.09187	100.0
112.07636	0.5
164.25900	0.2
169.09743	0.5
219.10303	0.3
248.12740	0.4
476.23862	1.0
478.69388	0.3
493.30417	0.4
503.28662	0.4
521.29749	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	521.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.5
66.95084	0.2
72.08152	0.3
81.48915	0.2
94.79097	0.3
100.11234	0.4
101.11599	0.2
110.07172	0.2
123.05540	0.3
130.05025	0.3
131.04860	0.3
137.05974	1.6
144.08089	28.1
145.08846	1.2
148.56407	0.3
158.09660	1.5
159.10486	0.4
161.05943	0.4
161.07166	0.3
163.66394	0.2
170.09647	100.0
171.10423	26.9
172.11115	0.3
187.12296	1.0
193.08607	0.3
201.13876	4.2
202.14659	21.1
238.12363	0.5
256.13208	0.4
273.12241	0.4
313.10822	0.3
399.22641	0.4
412.17056	0.3
417.23950	2.3
441.23947	0.4
459.24963	8.5
477.26077	1.4
503.23837	10.4
504.18646	1.2
521.25037	40.6
533.45752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33537	0.3
55.05338	0.3
55.33857	0.2
58.06588	1.1
72.08142	0.3
87.96817	0.3
89.06003	0.4
98.34093	0.3
108.18597	0.3
112.29735	0.3
141.42322	0.3
144.08087	24.5
145.08841	1.3
145.74771	0.3
158.09642	0.6
159.10455	0.5
170.09641	100.0
171.10420	25.7
186.09142	0.3
187.09604	1.4
187.12225	1.1
201.13866	4.3
202.14655	18.7
256.13519	0.4
477.26010	5.9
521.24982	54.0
528.14166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26394	0.6
55.01863	0.6
55.98893	0.5
57.03443	1.5
61.02925	1.1
69.03436	6.1
69.07066	3.0
73.02908	1.3
75.91944	0.6
77.61987	0.6
81.03427	4.7
83.38412	0.7
85.02902	8.2
87.00822	1.2
87.04453	1.2
97.02879	5.2
99.04488	2.9
105.01865	1.3
109.02885	7.1
109.83744	0.6
127.03907	8.2
129.01906	0.7
131.07312	1.0
132.08150	2.0
137.05962	3.0
144.08089	23.9
145.04984	1.0
146.09691	0.9
158.09660	14.1
159.02919	2.6
167.07285	1.2
168.08070	1.2
169.08870	5.5
170.09653	7.4
174.09169	0.8
181.08914	1.3
182.09659	16.7
183.10443	7.6
184.11269	6.3
186.09013	0.8
189.49214	0.8
194.09743	1.1
195.10442	5.1
196.11220	10.4
197.11964	4.6
198.12779	67.1
199.05994	0.7
200.10696	31.8
208.11275	1.1
209.11984	4.4
210.12813	2.6
210.77213	0.8
212.14351	9.4
216.10297	1.0
222.12898	2.7
224.14331	33.4
228.10278	1.0
238.15860	4.4
242.11865	0.9
242.13025	0.8
242.15407	13.5
248.14233	4.8
255.18576	3.7
266.15350	8.3
273.19614	1.1
282.43118	0.7
284.16583	2.3
326.17505	3.5
446.21802	3.3
464.19098	2.8
477.25931	4.4
490.20660	18.1
521.24982	100.0
540.09656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61655	1.1
53.27590	1.4
69.03442	5.4
69.10918	1.1
72.08164	2.1
73.02939	1.6
81.03424	6.5
85.02896	13.0
85.62574	1.2
87.00847	1.5
87.04491	1.4
97.02932	2.1
99.04446	1.6
105.01892	2.1
109.02899	6.5
114.10346	1.4
123.04394	2.0
127.03919	10.3
144.08081	21.4
145.05011	1.3
158.09660	15.9
159.10419	2.1
161.06061	1.6
165.58896	1.2
167.07428	1.4
169.08913	5.6
170.09685	8.4
182.09673	15.1
183.10487	8.0
184.11296	2.1
195.10425	2.5
196.11171	12.7
197.12093	5.0
198.12794	52.4
200.10703	35.5
209.12047	2.8
210.12759	1.9
212.14352	10.3
222.12833	2.2
224.14349	25.4
238.15785	1.8
240.13869	2.2
242.15477	10.5
248.14421	4.8
266.15421	12.6
295.08563	1.2
419.12857	1.3
430.55585	1.3
446.22070	3.1
460.66916	1.2
464.18774	8.8
478.21793	1.5
490.20761	18.7
516.18304	1.3
521.25153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17113	1.1
67.05529	2.0
69.03426	6.3
70.06592	1.9
71.04963	1.5
72.08147	5.8
79.05495	8.6
81.03447	1.6
81.07053	15.6
83.04996	2.6
84.04496	5.8
84.08119	1.8
85.02910	3.3
91.05461	8.7
92.17809	2.6
93.07046	6.5
95.04962	2.4
95.08619	3.5
97.02852	1.7
97.06539	2.5
99.04457	10.6
105.07057	13.6
107.04949	5.7
107.08581	6.1
109.02856	3.4
109.06539	2.7
109.10155	5.7
111.04437	1.8
117.06997	2.1
117.73711	1.5
119.04883	2.0
119.08588	42.8
121.06503	2.7
121.10171	6.1
123.04430	2.5
123.11691	2.1
125.05982	7.5
127.03911	14.2
128.06189	1.5
128.65845	1.6
130.05000	7.9
131.04819	1.4
133.10135	28.8
135.11732	2.1
137.05949	3.2
137.09615	1.6
143.08568	12.7
145.10130	7.7
147.08055	42.5
151.07544	100.0
161.09619	64.3
163.03925	8.9
163.11153	1.8
163.33687	1.7
165.09119	3.1
168.10158	7.0
171.08118	2.0
174.06703	3.5
179.10689	9.4
184.28143	1.3
189.09093	27.0
207.10188	19.8
225.11281	3.2
234.11240	8.3
251.13957	2.9
252.22990	1.5
255.10068	1.7
279.13403	12.8
280.11832	8.1
297.14450	94.3
307.79495	1.4
365.31436	1.5
373.78339	1.7
461.39301	1.7
521.26025	19.2
536.65057	1.5
549.59753	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	521.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10821	0.3
56.05029	0.5
60.12456	0.3
69.03414	1.6
71.05012	0.5
81.03430	0.6
81.07042	0.8
85.02915	2.9
87.00838	0.8
91.77088	0.4
92.18497	0.5
93.07045	0.7
95.08594	0.8
97.02894	2.0
99.04455	0.8
109.02876	0.7
120.07251	0.4
127.03914	2.0
132.08105	0.7
137.05965	0.4
144.08084	6.1
145.04999	0.4
151.07504	0.4
155.35132	0.4
158.09660	5.3
158.36588	0.4
161.07080	0.5
161.13205	0.5
168.08063	0.7
169.08881	2.9
170.09673	5.5
182.09651	6.3
183.10428	5.1
184.11172	1.6
194.96191	0.4
195.10326	0.7
196.11246	3.5
197.12016	9.5
198.12784	30.3
201.16254	0.7
210.12807	0.9
212.14345	100.0
224.14334	6.9
226.15889	0.8
242.15448	7.3
255.11343	0.5
255.18568	13.3
273.12299	0.7
314.07132	0.4
490.20642	1.8
521.18274	1.3
521.24945	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	521.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28959	1.6
55.18367	1.4
55.88438	1.7
61.43163	1.5
70.06544	1.7
76.79958	1.4
79.91456	1.6
103.06486	2.3
108.00837	1.6
122.03684	2.2
131.04900	3.4
137.05986	100.0
151.03891	4.0
151.07527	7.2
161.05984	2.3
163.07579	8.2
167.07066	2.7
170.09721	2.1
187.07481	6.6
187.09540	2.1
283.09647	7.6
295.09680	7.2
335.12732	2.2
353.13629	3.7
458.30298	1.9
503.20572	6.9
521.27649	3.6
521.37506	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82460	0.6
55.62548	0.7
69.03421	2.9
70.06593	1.3
72.08142	1.4
76.92987	0.6
81.03416	1.6
85.02892	4.5
87.00819	1.3
97.02898	1.2
99.04437	0.8
105.01886	1.0
109.02904	2.8
127.03922	4.1
131.07317	1.4
144.08083	16.6
145.08847	4.3
145.66353	0.7
157.08836	10.0
158.09639	3.4
159.02895	1.5
161.07071	3.7
167.07028	1.0
170.09642	55.1
171.10414	13.7
182.09636	1.4
183.10419	5.9
195.10306	1.4
196.11221	1.7
199.09866	1.3
200.10597	1.3
201.14104	1.6
202.14584	10.1
210.12741	13.0
211.13603	1.1
212.10783	5.1
212.14316	0.9
224.10693	1.1
227.11679	0.8
229.43222	0.9
230.11734	3.7
238.12276	2.8
242.11725	9.6
244.13361	4.3
255.11287	1.6
256.13297	100.0
265.36157	0.7
272.12720	1.3
273.12527	2.7
273.15964	12.8
298.14359	2.7
359.47708	0.7
439.18646	0.8
457.19418	1.2
477.25934	3.5
504.18564	6.8
521.21570	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06620	1.3
58.59374	0.7
61.22031	0.6
69.03427	3.3
72.08150	1.7
74.06898	0.8
75.85745	0.8
81.03419	3.4
85.02913	6.2
87.00840	1.5
95.04962	0.9
97.02907	1.7
99.04415	0.7
105.01874	2.9
109.02876	4.9
113.04638	1.0
117.05782	1.0
127.03946	6.2
130.06531	2.9
131.07318	4.6
137.05989	1.3
142.48761	1.0
143.07236	1.0
144.08096	28.9
145.04939	1.2
158.09630	1.4
158.79922	0.8
159.02901	1.5
160.07570	19.2
161.07133	1.8
168.08037	1.2
169.08868	1.5
170.09648	100.0
171.10419	21.6
174.11513	13.6
181.08791	0.9
186.09140	55.8
187.09914	13.1
196.11229	10.1
198.09233	6.9
201.13852	4.5
202.14622	16.0
202.16316	0.8
212.10620	5.6
216.10201	10.0
217.13412	1.3
218.14163	9.7
224.10727	6.7
230.11755	5.1
242.11757	49.8
255.11298	3.0
273.12372	4.3
273.15979	12.0
273.61386	0.9
275.69760	0.7
305.59399	0.9
318.80240	1.0
341.38275	0.9
354.93271	0.8
477.25912	5.2
521.24548	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82318	0.3
53.03976	0.4
56.36987	0.4
58.54005	0.3
60.04523	2.4
61.71106	0.4
69.03415	0.4
70.06606	0.6
80.05032	3.6
81.03418	0.4
84.04510	10.2
84.08090	0.4
96.04503	3.5
98.06059	12.5
99.04471	0.5
108.04488	27.3
109.02887	7.2
124.03953	0.9
126.05519	100.0
127.03913	2.6
132.72287	0.4
138.05507	39.7
140.07088	0.6
143.11809	0.4
144.06563	5.8
150.05530	2.2
162.90413	0.4
166.80873	0.4
168.06558	34.8
186.07613	5.8
186.74020	0.4
210.07700	0.6
228.08675	11.9
231.79134	0.4
238.97012	0.5
242.87694	0.4
246.09727	59.4
264.10950	0.8
264.62448	0.5
275.38092	0.4
276.10782	2.0
332.89331	0.4
521.19873	2.4
521.31433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63736	0.3
50.79980	0.3
51.42180	0.2
53.03964	0.5
55.01881	1.2
57.03437	1.2
58.65277	0.3
60.55672	0.3
61.02942	1.0
65.03936	1.9
67.05515	18.3
69.03440	10.0
71.04983	0.6
73.02912	1.9
81.03428	8.6
82.02951	0.3
82.73510	0.3
84.54801	0.3
85.02906	8.8
87.00837	5.0
91.03925	0.4
92.04990	0.4
94.06565	0.4
95.04367	0.7
95.04971	15.1
96.04498	3.9
97.02907	4.9
97.20824	0.3
99.04461	3.1
104.69860	0.3
105.01878	1.8
109.02881	8.4
114.10277	2.0
115.08683	0.6
117.01886	0.4
120.04463	1.2
122.06046	4.4
124.07591	0.4
127.03915	9.0
129.01846	0.6
131.04927	2.4
134.04474	0.3
136.07552	0.5
144.08089	0.5
145.04970	1.8
146.06024	0.5
158.05983	0.3
159.02872	3.1
160.06551	0.4
160.07574	14.2
161.07103	100.0
162.05519	1.4
163.08522	0.3
164.07007	0.3
167.08521	0.8
167.96010	0.3
169.08826	0.5
169.10158	0.6
170.05942	0.4
170.09691	1.9
173.07034	0.5
175.08681	2.8
182.09673	0.5
184.07610	0.4
184.11253	4.5
185.07150	0.4
186.09222	0.6
187.05011	1.6
187.08723	0.5
192.07927	0.3
194.09641	0.7
197.06877	0.5
197.08369	1.4
198.07906	1.8
198.09361	1.0
199.08652	2.6
199.12375	3.4
200.10699	1.9
201.06586	0.7
201.10150	0.6
201.13866	1.7
202.12286	2.3
209.07072	0.5
209.10748	2.3
210.09190	2.6
211.08717	1.3
212.09024	0.6
212.10869	12.4
213.06598	1.4
213.10263	1.3
214.07343	0.7
214.12447	0.4
215.08255	1.4
215.11850	1.2
217.13406	0.5
222.07903	1.3
225.06583	1.5
225.10269	0.8
226.07309	2.4
227.08223	15.8
227.11772	26.6
228.06903	0.4
228.10175	2.7
229.09810	2.5
229.13376	4.4
233.15610	0.4
237.10233	4.0
238.08618	0.8
239.08109	1.8
240.08832	8.0
241.09724	0.6
242.10500	5.2
243.11295	7.3
244.14359	1.4
244.85886	0.4
245.09238	1.1
245.12852	7.7
253.09734	2.5
254.10641	0.4
255.11287	64.0
256.09756	1.3
257.12872	7.4
258.09982	2.4
261.17114	7.2
273.12332	82.8
297.12180	0.4
315.13251	0.5
316.98383	0.3
364.17673	0.4
412.94806	0.4
435.17615	10.7
477.18823	1.6
503.16656	2.1
521.17664	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09434	0.3
50.26694	0.3
60.08170	4.2
71.07379	0.8
86.09709	19.6
98.98475	0.8
104.10734	2.3
113.05830	0.4
125.00008	10.4
184.07352	100.0
196.14401	0.3
324.35049	0.4
442.07507	0.4
502.32791	0.6
520.34082	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	520.3405
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
56.78924	0.4
60.08167	10.2
65.72130	0.5
67.05492	0.8
69.07056	1.0
71.07369	2.6
76.86969	0.5
81.07085	0.7
84.10870	0.5
86.09716	35.2
93.07076	0.6
95.08615	1.2
104.10755	83.2
105.13866	0.6
117.25206	0.6
117.62590	0.5
125.00008	16.2
163.01601	1.0
181.90128	0.5
184.07349	100.0
197.21866	0.6
279.69522	0.5
502.32935	6.2
520.34039	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3042
Annotation	(-)-Terpendole C
Peak:m/z	Relative Intensity
51.10302	1.3
60.08183	16.1
69.07018	1.8
71.07362	2.6
76.80063	1.8
79.03699	1.8
84.05636	2.6
86.09715	42.2
92.18391	2.1
92.89417	1.9
104.10754	95.2
125.00002	17.9
176.55917	1.8
183.44066	2.0
184.07356	100.0
420.21237	2.3
435.23337	1.8
502.29605	3.7
520.30365	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91444	0.6
68.45545	0.8
70.06606	1.2
87.04475	9.3
89.06037	100.0
92.30455	0.9
103.54541	0.7
129.97142	0.9
131.07048	1.5
133.08611	34.4
137.05968	5.7
138.06332	5.0
144.08176	1.0
148.01883	0.8
160.07605	1.8
170.09657	3.1
171.10011	1.2
175.09692	1.3
177.11252	11.2
186.09200	3.7
187.09723	3.5
188.10208	1.2
221.13814	3.2
309.18967	1.4
415.25632	1.3
459.27762	2.0
503.30682	55.9
520.18811	5.5
520.26221	11.7
520.33325	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	520.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	52.3
57.07076	1.0
57.62020	1.3
59.05011	1.2
67.05507	6.1
69.03430	7.3
69.07078	23.5
69.61732	1.2
71.04975	2.1
79.05495	2.7
81.03415	7.4
81.07065	39.4
83.04997	2.6
83.08602	2.0
85.02917	13.7
85.06540	8.7
86.11893	1.5
87.00832	5.6
88.37877	1.2
91.05492	5.9
93.07052	33.1
95.04967	1.3
95.08619	19.5
97.02887	3.0
97.06534	6.3
97.10181	5.8
99.04470	3.0
99.08103	5.7
105.01870	7.2
105.07040	18.3
107.08601	29.8
109.02875	7.8
109.06527	12.9
109.10160	18.0
111.11724	11.3
117.06995	1.9
119.08596	12.9
121.10149	100.0
123.08078	3.1
123.11685	8.9
125.09584	1.5
127.03910	9.4
127.07549	5.6
131.08585	7.0
133.10150	7.0
135.11691	23.7
137.09604	6.2
139.11232	12.5
145.05002	3.1
145.10143	27.6
147.11687	8.5
149.13255	7.7
151.11205	12.3
155.10689	6.6
158.04361	1.4
158.26508	1.3
159.02823	1.7
159.11691	15.6
161.13268	21.9
163.11180	9.5
163.14828	2.5
164.11909	4.8
173.13277	3.1
175.14799	2.3
177.16432	6.5
179.14314	2.1
181.12251	2.7
182.75790	1.3
186.36792	1.2
188.09204	5.1
191.17931	2.8
201.16380	26.8
219.17448	62.8
219.19580	2.2
231.05070	2.4
237.18527	19.8
249.06018	2.0
284.09814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75692	1.0
53.03950	2.9
55.01871	5.8
57.03436	5.9
61.02923	6.5
67.05503	2.5
67.17374	1.1
69.03431	22.5
69.07070	2.3
70.15138	1.1
71.04988	2.6
73.02918	9.4
81.03425	23.8
81.07060	12.4
83.08609	1.2
85.02909	100.0
85.06546	2.6
87.00833	30.9
91.03957	2.0
93.07034	7.1
95.08616	12.4
96.08121	1.9
97.02888	44.8
97.06562	1.4
99.04455	22.3
105.01871	39.4
105.07043	15.9
107.08589	13.4
109.02878	42.3
109.03620	1.7
109.06533	1.2
109.10167	9.9
114.09164	26.8
115.03905	2.4
115.09515	4.9
117.01891	4.7
117.06978	1.3
119.08563	13.5
121.10126	11.4
121.62546	1.3
123.08044	1.3
123.11716	1.7
125.09576	1.3
127.03918	72.9
129.01843	4.9
131.08560	8.8
133.10162	9.9
135.08104	1.3
135.11681	11.1
145.04967	28.5
145.10114	26.3
147.02849	2.5
147.11694	6.7
149.13243	2.0
159.02875	26.0
159.11708	25.8
161.13243	11.1
163.11150	5.0
163.14792	1.6
173.13248	5.5
175.14832	5.5
177.16418	12.9
191.18002	5.3
201.16386	65.6
209.16544	2.2
213.03978	2.8
217.15907	1.4
219.17422	61.7
228.16089	1.9
229.16216	1.6
231.04987	15.7
237.18477	69.6
249.06029	6.6
255.19508	12.8
271.06042	6.2
272.06363	5.6
415.57950	1.3
431.20517	1.8
449.21481	8.8
467.22772	16.2
471.98367	1.5
485.23804	8.5
519.89337	15.9
520.27563	8.3
520.39624	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	520.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
55.05522	4.5
57.07070	1.9
59.13985	1.8
67.05504	14.5
67.39527	2.6
69.03428	13.0
69.07061	4.9
71.05006	3.0
79.05499	10.3
81.03425	9.5
81.07065	100.0
83.08617	4.7
85.02911	43.5
87.00824	15.0
93.07047	17.7
93.68204	2.0
95.08617	85.7
97.02899	13.6
97.06547	3.3
97.10181	5.1
99.04450	2.8
105.01888	33.6
105.07020	8.9
107.08591	32.5
109.02885	5.0
109.06548	3.0
109.10162	51.9
110.96173	2.5
113.05998	2.7
114.12811	3.2
119.08558	5.2
121.10146	29.6
123.11700	27.4
127.03957	32.2
131.08562	2.4
133.10139	4.6
135.11703	10.1
137.09616	2.3
145.04988	15.6
145.10130	14.7
149.09593	2.3
149.13303	4.7
151.11143	4.7
159.02856	10.0
159.11707	13.7
161.13284	17.8
163.11205	5.1
163.14815	19.3
177.12733	3.0
191.17972	4.9
196.09276	2.4
201.16368	28.8
201.83778	2.6
219.17442	39.3
231.04968	15.5
237.18483	79.4
249.06110	11.2
254.21123	5.0
284.09744	11.0
342.26971	2.5
465.83179	2.3
467.22852	3.2
520.34442	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	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52766	1.0
53.55487	1.1
55.01883	1.7
55.05518	2.3
55.87001	0.9
57.07066	1.6
61.02918	1.2
65.06118	1.0
66.18761	1.0
67.05505	2.8
69.03431	5.4
69.07060	5.3
71.04987	2.5
72.22083	1.0
73.02898	1.6
79.05503	1.1
81.03417	6.5
81.07068	22.4
82.70461	1.0
83.08634	5.4
85.02927	16.0
85.06551	4.5
87.00820	8.1
91.05463	2.3
92.18500	1.1
93.07062	9.5
95.08612	28.7
97.02900	6.9
97.10162	2.7
99.04460	43.5
101.05995	1.2
105.01889	6.4
105.07038	2.8
106.48035	1.1
107.08616	17.4
109.02897	5.2
109.06490	1.5
109.10165	30.6
111.08057	2.2
113.61690	1.1
117.05528	1.6
119.01888	1.0
119.08569	16.2
121.10147	33.1
123.08078	2.2
123.11707	38.3
125.09640	4.5
127.03915	11.1
127.07563	2.4
127.11199	2.0
131.08536	1.4
133.10139	12.2
135.11731	10.8
137.09642	1.4
139.07491	1.6
139.11198	1.6
145.04993	2.3
145.10123	5.3
147.11736	1.3
149.09700	1.8
149.13268	1.6
153.09065	2.1
159.02875	4.7
159.11676	10.9
161.13286	16.5
163.11194	7.3
167.10672	5.1
175.14877	14.0
176.53925	1.1
177.12766	1.3
177.16391	53.5
179.14290	5.3
181.12299	9.7
191.17982	1.6
195.13803	1.5
201.16406	17.4
219.17436	19.4
237.18501	62.6
255.19539	100.0
289.43536	1.2
343.86557	1.2
449.21869	2.6
467.22559	1.6
520.27441	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	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14383	1.6
55.05507	2.9
57.07089	2.5
59.15661	1.6
60.06922	1.8
60.44769	1.6
67.05499	8.6
69.03436	16.1
69.07071	9.2
70.27982	1.9
71.04973	4.0
73.02924	2.6
79.05492	5.0
81.03423	15.0
81.07059	28.3
83.08623	8.8
84.37183	2.1
85.02914	54.4
85.06528	3.9
87.00861	21.9
93.07045	14.3
95.08607	31.4
97.02892	19.4
99.04464	49.5
105.01881	19.2
105.07034	4.9
107.08604	28.9
109.02892	18.0
109.10165	32.2
111.08084	3.2
111.54778	2.2
117.05511	3.0
119.08599	20.4
121.10152	49.0
122.77129	2.1
123.08101	2.5
123.11707	54.5
127.03913	35.2
127.07555	3.0
127.11206	2.9
133.10121	11.7
135.08061	2.5
135.11700	16.5
145.04967	5.0
145.10117	11.0
149.13277	3.2
153.09126	2.5
159.02893	9.2
159.11687	15.5
161.13235	18.0
163.11186	15.3
167.10628	8.0
173.13222	3.2
175.14771	14.2
177.12746	4.1
177.16370	47.9
181.12254	8.5
191.17961	3.2
195.13948	2.4
201.16371	21.9
219.17427	26.7
231.05069	7.7
237.18500	94.1
245.17863	2.4
255.19545	100.0
383.14935	2.1
449.21771	3.9
467.22772	4.2
520.27484	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	520.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05624	0.8
66.43224	0.3
67.29247	0.3
69.25424	0.4
70.06568	0.8
72.08157	2.8
81.86430	0.3
83.09827	0.3
86.07188	2.6
86.07608	0.3
87.07943	2.3
88.68153	0.4
97.07643	0.6
97.43439	0.4
98.06033	0.7
100.08675	0.4
106.47284	0.3
112.08705	0.7
113.09415	0.4
114.10295	7.8
115.08714	3.9
127.03183	0.5
131.12875	1.4
151.97269	0.4
157.10831	2.1
162.03127	0.7
163.03920	2.6
164.11833	0.4
178.04962	0.8
185.09908	2.7
185.11205	0.4
231.11281	0.4
232.09656	2.0
232.12088	1.9
233.10500	3.2
261.06870	0.6
263.15030	2.6
264.09216	0.7
264.16034	0.4
274.11780	0.7
275.04788	0.5
275.12589	6.9
287.04846	5.7
291.07800	0.4
291.14511	13.6
292.15289	100.0
293.16043	0.5
303.04306	3.0
306.16812	0.5
329.06851	0.6
400.14465	0.5
416.13715	1.5
417.16968	7.5
433.16559	26.5
433.22522	0.9
461.15939	3.8
520.23413	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	10.3
58.15278	2.3
70.06607	2.0
72.08157	9.7
95.15598	1.9
99.83477	2.3
114.10284	12.4
127.24083	1.9
200.60008	2.2
252.97672	2.3
259.05313	3.6
287.04703	6.5
303.04309	11.9
358.12241	11.5
373.13382	15.3
374.11719	2.6
375.15121	3.8
383.11649	2.9
398.12781	2.7
400.14453	33.9
401.12961	3.2
415.15485	3.5
416.13806	69.8
417.17126	17.2
433.16495	45.8
444.13528	2.9
461.16080	31.4
476.24707	3.3
520.23340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47424	6.4
54.58940	6.9
57.07092	11.3
60.24582	7.2
60.97022	8.2
65.99136	7.4
67.05508	38.4
69.07056	8.1
71.08633	13.9
79.05483	14.6
81.07065	63.5
91.05468	16.7
93.07040	55.1
95.08612	38.3
97.06532	11.5
102.38143	8.4
105.07008	13.4
107.08607	16.6
109.10174	32.2
119.08570	14.5
121.10126	37.5
131.08542	17.5
133.10144	36.0
135.11723	14.1
147.11676	38.7
188.02148	8.8
193.12411	10.1
198.21382	9.3
207.13789	11.1
234.13722	10.1
369.31802	15.4
387.32462	72.5
405.33627	100.0
423.34671	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	519.3533
Annotation	Discarine L
Peak:m/z	Relative Intensity
52.85867	0.4
55.05538	0.5
56.18937	0.4
58.06614	3.9
59.07359	0.4
60.08171	53.6
67.05498	0.7
69.03436	0.6
69.07078	4.6
69.42146	0.4
70.06612	0.5
71.08618	0.5
72.08146	3.1
77.96610	0.4
79.84834	0.4
81.03413	0.8
81.07047	0.6
84.08139	4.5
84.27617	0.5
86.09708	25.5
91.05470	0.7
95.04971	1.8
95.08611	0.7
97.06526	10.5
105.07039	0.7
107.04959	1.8
107.08621	0.6
110.06018	0.7
112.07619	1.8
112.47804	0.4
114.09167	12.6
114.12791	2.3
119.04948	0.8
119.08559	0.5
121.10155	0.9
123.04455	3.4
124.07594	1.0
126.09192	0.6
127.03915	0.8
131.11836	0.8
133.10147	0.6
138.07101	0.4
139.11093	0.4
141.10236	0.9
144.08110	0.9
146.00458	0.4
147.04453	3.4
149.09595	3.9
155.08211	0.7
157.10188	0.5
161.09644	4.3
163.03954	0.6
165.19551	0.4
169.09651	0.7
170.09642	2.7
177.09119	1.7
180.13838	4.0
189.09105	5.7
202.14668	0.7
206.11729	6.2
208.13332	6.9
217.15833	0.4
223.14407	2.4
232.09816	1.1
233.05569	5.0
253.19757	0.6
271.06030	1.9
289.11850	0.6
302.17514	2.0
345.18164	0.7
361.24963	5.3
386.62643	0.5
389.24487	1.7
455.79340	0.5
519.35413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3324
Annotation	Presenegenin
Peak:m/z	Relative Intensity
55.05517	3.1
59.06753	2.8
60.58076	3.0
67.05488	3.2
70.00384	3.8
79.05503	5.7
81.07056	20.2
83.08609	3.4
92.18414	4.0
93.07054	14.1
95.08611	35.5
99.08095	29.4
105.07023	36.8
107.04959	7.1
107.08593	60.0
109.06561	3.3
109.10155	23.2
118.36378	3.4
119.08583	88.4
121.06519	16.8
121.10161	31.2
123.08032	5.7
123.11704	7.2
131.08574	62.1
133.10135	50.0
135.11690	30.3
143.08595	6.8
145.10127	45.2
147.08047	5.3
147.11691	87.7
149.09605	8.7
149.13258	14.5
157.10124	16.7
159.11678	42.5
161.09669	8.8
161.13264	42.9
163.11230	3.5
163.14836	23.6
169.10185	4.6
171.11742	25.8
173.13268	57.5
175.14810	86.0
178.05821	5.3
179.14397	5.0
181.04794	4.8
183.11630	5.9
185.13245	28.3
187.14816	100.0
189.12749	20.9
189.16287	7.8
191.14349	36.4
193.04939	5.7
199.14861	41.1
201.16380	86.7
203.14278	17.2
209.13246	6.5
213.16425	18.3
215.14279	6.6
217.15979	4.6
219.13866	4.2
219.17514	7.7
223.14734	4.3
227.18034	6.2
229.16040	4.8
235.13365	4.8
245.08070	16.6
245.15269	4.7
249.14796	5.7
253.98471	3.5
259.16974	5.8
373.28827	5.3
383.26382	3.8
391.29950	22.5
393.31604	14.5
399.14273	5.3
409.31088	22.6
419.29526	20.6
437.30481	57.6
455.31543	84.6
465.30133	6.8
473.32574	48.1
483.31213	39.3
501.32086	54.6
519.32971	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	519.3322
Annotation	Jaligonic acid
Peak:m/z	Relative Intensity
54.07107	4.8
60.93238	3.8
72.08130	4.5
81.07056	9.4
93.07048	5.6
95.08595	27.1
96.14169	4.3
99.08075	8.2
105.07030	24.7
107.08602	38.4
109.10172	9.5
119.08591	59.5
121.06492	8.7
121.10151	9.7
123.11678	6.1
131.08551	31.2
133.10121	53.6
135.11688	25.8
145.10117	28.7
147.11671	47.6
149.13229	5.1
157.10248	5.2
159.11679	18.1
161.13268	19.4
163.11115	4.7
163.14842	27.6
171.11726	7.2
173.13251	52.1
175.14754	40.2
183.11656	5.0
185.13286	21.5
187.14796	86.8
189.12766	9.2
189.16388	7.4
191.14294	29.1
199.14839	19.5
201.16383	73.1
203.14348	26.2
211.14864	7.8
235.13292	8.1
391.29980	21.3
409.31033	28.3
437.30399	42.2
455.31497	100.0
463.24313	6.4
473.32718	50.9
483.30841	23.6
501.31909	22.8
519.33197	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	519.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	1.5
59.99102	2.6
70.06604	1.5
72.04523	25.4
72.08150	1.3
78.24828	1.3
81.03444	1.3
84.08135	2.3
88.02212	20.2
93.07040	1.9
94.54096	1.7
94.60509	1.5
97.54328	1.3
100.07626	100.0
105.07023	2.5
116.04555	2.0
116.05323	39.3
126.11888	2.9
126.12796	76.0
130.46150	1.3
131.08528	1.4
144.08069	16.5
154.12308	1.6
169.13339	1.6
170.09648	66.0
171.10411	14.0
171.14856	2.4
186.09146	1.8
201.13881	10.5
202.14664	18.0
204.99474	1.9
224.21243	5.3
242.22191	9.9
357.20239	1.7
435.43222	1.5
485.31430	19.2
519.29858	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2968
Annotation	Sativanine B
Peak:m/z	Relative Intensity
58.06597	20.2
66.49846	2.9
78.29894	3.3
80.21861	3.1
82.07249	3.3
84.04500	6.6
105.07033	19.2
106.03764	4.0
110.12530	3.7
122.09644	22.5
137.86011	3.6
144.08107	22.5
177.71925	3.5
181.08899	6.8
182.09665	14.1
183.10439	5.5
184.11269	13.7
195.10445	23.2
197.08414	26.7
205.13412	6.2
210.12811	47.2
212.10719	54.7
223.07657	5.6
226.12277	29.4
233.12915	17.6
234.11154	4.3
238.12228	77.8
239.07076	4.5
251.07114	8.4
437.20462	3.8
462.23862	35.3
519.29504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06619	1.0
59.17178	0.7
59.20899	0.9
69.81751	0.8
92.17834	0.9
102.09206	0.8
112.64925	0.7
137.05989	5.1
144.08076	13.4
149.57010	0.9
160.07588	33.3
165.15511	0.7
170.08211	1.5
170.09657	41.4
171.10411	10.8
186.09148	100.0
187.09944	30.5
201.13942	3.0
202.14662	7.0
217.13399	4.6
218.14168	17.9
336.63922	0.8
468.60147	0.9
484.32507	0.8
519.26080	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34262	0.3
55.05523	0.3
58.06598	0.6
59.37123	0.3
80.72344	0.3
81.12204	0.3
106.37487	0.3
107.04952	4.7
114.09148	0.4
124.18845	0.3
137.05936	0.6
144.08092	26.7
145.08960	1.2
149.05960	0.6
158.09642	2.2
159.10425	0.5
165.05461	3.4
170.09648	100.0
171.10429	21.5
177.05487	6.7
186.11455	0.6
187.12393	0.5
201.13902	4.0
202.14641	12.2
202.16368	0.6
225.69365	0.3
271.06064	6.1
271.09668	11.5
334.73712	0.4
519.26056	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04798	0.5
58.06596	0.8
77.18853	0.6
86.29527	0.6
86.72126	0.5
96.56213	0.5
107.04955	3.0
114.09174	2.6
121.06568	0.7
137.05966	0.9
144.08093	25.7
145.08855	1.2
158.09607	1.0
165.05463	1.0
170.09644	100.0
171.10434	24.5
177.05492	2.7
201.13904	4.5
202.14653	11.5
271.06131	1.3
271.09702	4.6
478.21594	0.7
519.26056	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	519.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.6
59.64509	0.3
62.29038	0.3
69.54665	0.3
72.25522	0.3
77.22190	0.3
82.79196	0.4
86.09698	1.5
115.68807	0.3
125.63419	0.4
140.28845	0.4
160.07582	35.0
161.08391	0.6
170.09608	2.2
170.54747	0.4
174.09100	1.4
186.09152	100.0
187.09929	29.9
202.11061	1.6
203.11882	0.4
217.13374	5.3
218.14146	14.1
519.26056	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76062	0.1
51.54690	0.2
53.64915	0.2
58.06602	0.5
74.99121	0.2
84.08127	0.3
84.20760	0.2
105.45711	0.2
116.40398	0.2
144.08095	28.1
145.08884	1.2
158.09659	2.2
159.10471	0.3
170.09653	100.0
171.10431	23.2
186.09134	0.9
186.11623	0.8
187.09834	0.2
187.12311	0.4
201.13867	7.1
201.15593	0.3
202.14656	14.9
267.87885	0.2
281.81851	0.3
301.19101	0.9
324.26819	0.3
433.27704	0.3
519.26062	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00875	0.2
57.38190	0.2
57.43009	0.2
58.06600	0.9
70.06586	0.3
72.08138	0.3
96.86728	0.3
112.09705	0.3
124.86308	0.3
134.01466	0.2
144.08093	26.8
145.08876	1.4
158.09665	2.3
170.09648	100.0
171.10425	21.7
172.11174	0.4
186.09206	0.4
187.12265	1.1
201.13860	5.5
202.14671	12.7
240.32635	0.3
271.06018	8.5
519.26050	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52107	0.3
58.06596	1.3
63.41640	0.3
66.48626	0.3
69.43349	0.3
70.21637	0.3
73.55344	0.3
77.71430	0.4
79.28212	0.3
82.76169	0.3
93.16660	0.3
98.59878	0.3
106.29891	0.3
107.96140	0.3
121.26012	0.3
124.31254	0.3
159.06935	0.4
160.07584	38.3
161.08357	0.7
170.09656	1.7
174.09137	1.3
175.09955	0.4
186.09151	100.0
187.09932	30.4
202.11055	0.7
203.11842	0.4
217.13373	4.4
218.14159	18.6
436.06259	0.4
519.26062	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	0.8
62.59880	0.4
68.64256	0.4
70.06593	3.1
72.08162	44.6
76.82370	0.4
77.12482	0.3
84.04541	0.5
84.08147	1.6
84.96040	0.8
85.02900	0.5
86.09692	1.8
89.10799	16.9
89.37390	0.4
97.02912	0.3
98.06058	2.8
98.97610	2.9
100.75710	0.4
105.07000	0.4
108.57879	0.3
114.10291	0.9
115.08691	2.7
116.98603	0.7
134.15416	0.4
137.06012	3.7
147.04413	0.6
151.03905	11.2
163.03899	2.5
177.05457	3.3
179.03445	3.3
189.05493	0.9
191.03413	0.9
191.07106	0.4
193.01753	1.8
193.04997	1.7
201.01894	0.6
207.03354	4.4
211.02794	0.5
217.01776	0.7
225.04402	2.5
227.02371	0.5
235.02835	3.5
235.07573	2.3
237.00693	3.3
249.05409	0.8
249.09085	0.9
251.06940	0.9
253.03835	7.0
255.01740	5.4
263.07037	22.7
265.04922	0.9
266.05762	0.6
269.08112	1.6
271.04913	1.8
271.09644	0.6
273.02975	0.6
276.13199	0.4
277.04242	0.4
277.05594	0.5
277.08548	7.8
279.01926	0.7
279.06528	7.2
280.07358	4.0
281.08118	2.4
283.09866	0.5
286.61633	0.5
289.04968	0.7
291.06610	2.1
293.08090	5.7
293.15945	0.6
295.06363	0.5
295.09634	11.6
297.07584	48.5
299.05829	0.5
299.09113	0.5
305.08148	2.1
307.05975	12.3
308.06866	2.9
309.07803	3.2
311.09113	6.6
317.04477	3.5
321.07596	24.6
323.09167	13.7
324.06296	0.7
325.07053	11.7
331.06076	1.9
333.07446	0.7
334.04663	3.4
335.05606	1.4
339.04358	1.1
339.08578	13.5
341.10263	0.8
349.07098	20.8
351.08548	1.6
352.05826	0.5
353.06570	0.9
357.09799	0.8
367.08136	21.4
377.06577	6.5
385.09399	2.8
395.07858	2.4
413.08716	9.4
439.07367	0.5
457.08102	1.9
459.06387	0.6
483.05826	0.6
501.07080	0.9
502.17300	1.4
519.19781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
55.01869	0.8
55.05523	11.8
56.01396	0.5
57.85509	0.4
63.39901	0.5
65.55584	0.5
65.68929	0.4
67.25261	0.4
69.03419	0.5
69.05806	0.5
70.06599	6.6
72.08161	25.0
77.27729	0.4
81.06997	0.6
84.04497	2.0
84.08124	0.9
86.09702	0.9
88.31656	0.5
89.10779	2.1
98.06059	86.6
99.09242	1.2
114.10249	0.6
115.08696	69.3
117.03379	2.0
121.06470	0.7
123.04480	0.8
126.09144	2.2
129.06619	0.8
129.10178	0.6
130.15834	0.5
133.02916	0.6
137.06003	3.7
140.98567	0.5
143.11780	1.1
145.02853	14.2
147.04433	2.9
149.05960	3.0
150.06743	2.6
165.07837	0.7
175.03860	0.6
176.04704	0.7
177.05467	36.5
191.03349	1.8
201.05446	1.2
217.04817	0.8
225.63501	0.5
236.12743	0.8
246.11078	0.5
248.12762	3.5
263.14026	2.2
265.15488	0.8
267.04901	3.6
271.09726	0.8
292.15323	0.7
297.07407	1.0
325.10742	1.0
341.10257	2.9
351.08612	0.7
355.11829	1.0
373.12701	0.6
403.10107	0.5
450.07986	0.6
457.19681	0.6
519.19720	100.0
542.81561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1866
Annotation	Vitecannaside B
Peak:m/z	Relative Intensity
55.01871	14.2
74.86994	3.1
81.56470	2.8
86.09723	2.5
91.05486	4.9
93.07037	11.7
103.05454	6.6
106.04192	2.8
116.05298	5.1
118.41794	2.7
119.08527	2.6
121.06492	23.6
131.04916	12.5
134.03612	3.2
137.05936	4.4
145.02914	3.9
145.17514	2.9
149.05983	72.4
158.56236	2.4
161.05945	4.0
163.07549	3.2
165.05460	10.1
167.07011	3.4
176.04622	2.6
177.05437	34.2
181.04987	20.2
181.08614	48.5
189.08994	2.7
191.07022	33.9
207.06517	12.6
209.08083	100.0
217.06686	3.1
245.08157	3.8
251.09140	87.3
267.08633	9.9
280.97748	2.6
286.29797	3.8
294.09531	2.9
399.14560	4.2
459.16284	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	519.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13573	0.6
54.69007	0.7
55.95388	0.7
60.14321	0.8
60.55919	1.0
61.02628	0.7
63.22421	0.7
64.10384	0.7
68.39954	0.7
82.53281	0.9
90.04475	0.9
91.72611	0.7
105.55134	0.8
107.04959	1.9
135.87590	0.8
145.60483	0.9
151.59598	0.8
154.10307	0.8
167.07014	4.5
178.16113	1.0
181.04881	1.1
205.08640	3.5
215.06944	3.0
235.07512	1.0
245.08078	1.5
247.07565	2.0
248.08432	0.9
251.10597	1.0
258.07135	1.1
260.08221	7.9
261.09076	4.1
263.07071	3.6
264.07797	3.0
265.08633	1.2
275.06912	0.9
276.07916	1.1
277.08588	2.1
278.09335	4.5
279.10184	1.6
288.07617	5.9
289.08542	1.7
291.06464	4.7
291.09543	1.1
295.09848	1.1
296.10516	1.1
305.08014	6.9
306.08859	25.4
307.09384	5.8
309.07532	0.9
317.08133	1.2
319.06152	1.1
319.09634	1.3
320.10413	4.1
321.07672	1.8
321.11215	20.1
323.09219	4.5
324.09970	1.8
325.11020	1.1
329.10278	1.6
333.07602	1.6
334.08286	6.2
335.09131	13.2
337.10797	1.3
338.11453	1.4
339.12149	1.3
345.10016	1.2
349.10706	14.5
350.11649	4.0
351.08630	16.4
366.11038	20.3
367.11697	1.3
369.09546	1.4
381.13339	100.0
399.14352	27.6
409.12836	3.4
441.15384	9.0
459.16617	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	519.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93932	0.6
60.08171	3.7
60.69899	0.6
63.84777	0.6
69.20906	0.6
86.09692	0.9
91.39395	0.8
92.17805	1.1
92.68162	0.7
107.04957	3.0
111.29856	0.6
115.63878	0.7
157.06633	0.8
167.06996	5.4
176.44540	0.7
181.04958	2.8
184.48746	0.7
186.09161	0.8
187.07599	0.8
205.08594	3.5
207.06555	0.8
215.06926	1.2
217.08578	0.9
219.08070	2.5
229.08604	1.5
230.09302	0.8
232.08832	1.0
233.09645	1.4
239.39516	0.8
241.08643	1.0
243.08066	0.8
245.08107	1.1
246.06735	1.2
247.07565	3.0
248.08171	1.1
259.07425	0.9
260.08261	8.6
261.09149	4.0
263.07104	1.1
264.07983	2.7
265.08621	0.9
275.06827	1.1
276.07874	1.4
277.08682	3.0
278.09378	3.7
279.10202	4.4
285.07669	1.0
288.07816	4.8
289.08524	4.8
290.09344	0.9
291.06555	5.8
291.09811	0.8
292.07382	1.3
293.08240	0.9
305.08060	6.6
306.08844	26.8
307.09637	6.6
309.07516	0.8
316.07248	0.9
317.08008	1.2
319.06125	1.1
319.09702	1.2
320.06931	1.6
320.10513	6.7
321.07608	1.4
321.11166	20.6
323.09085	5.6
324.09894	2.6
325.10764	1.5
329.09961	1.2
333.07632	1.5
334.08331	8.8
335.09134	13.7
335.12778	1.0
337.07095	1.6
338.11145	1.9
339.12317	3.5
345.09766	1.3
348.09979	1.1
349.10663	18.4
350.11609	4.9
351.08618	20.1
351.12518	1.2
356.12143	0.8
366.10971	22.2
366.15411	1.0
367.11584	3.1
371.14957	1.4
381.13327	100.0
399.14404	28.0
404.03348	0.8
409.12802	3.7
441.15341	9.1
451.73581	0.7
459.16345	3.5
519.28870	1.0
519.37012	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	519.1499
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
51.04251	0.4
56.24734	0.4
73.60150	0.5
81.07022	0.4
91.49252	0.4
107.04958	48.0
121.06489	0.9
149.05981	15.7
165.05464	28.5
170.85153	0.5
177.05472	63.6
202.08615	0.6
229.08678	1.0
242.05844	0.5
253.08565	0.8
256.07333	0.5
271.09634	100.0
519.15070	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	519.1138
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.31166	0.1
54.92322	0.2
55.99946	0.2
69.03403	0.2
69.07037	0.2
69.94641	0.2
80.45713	0.2
81.03421	0.2
85.02887	0.4
87.00808	0.4
101.13161	0.2
105.01843	0.2
109.02826	0.2
113.54938	0.2
114.09113	0.8
127.03926	0.4
127.11171	0.2
131.27182	0.2
159.11746	0.2
170.09645	0.7
214.55380	0.2
217.15912	0.3
218.16373	0.3
228.15929	0.2
235.16783	0.3
271.06018	100.0
273.05795	0.2
292.01587	0.2
360.26654	0.2
377.46503	0.2
396.80005	0.2
433.11267	2.5
475.12292	0.3
518.88959	0.4
519.11407	15.0
519.26678	0.4
532.22351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.8925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62107	0.8
51.47205	0.8
51.75978	0.8
52.46839	0.9
53.52269	0.9
56.90700	0.9
67.47604	1.0
69.07063	6.4
70.06574	1.2
79.05495	1.5
91.03024	1.2
96.08131	12.7
113.10750	6.1
114.09171	100.0
125.62691	1.2
132.10223	4.8
134.89233	1.1
139.27275	1.1
147.60486	1.0
185.04599	1.1
190.56255	1.1
209.16440	19.1
223.24680	1.0
226.19232	5.9
227.17494	10.5
228.15936	17.0
245.18454	1.4
322.24969	6.2
339.27737	2.0
341.24371	6.1
382.29950	1.1
435.33286	1.7
452.35791	1.8
453.34436	4.9
509.88901	7.7
518.89081	72.2
519.39307	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09383	0.2
58.47811	0.3
60.08172	4.4
61.86488	0.3
68.38698	0.3
71.07352	1.5
77.18382	0.3
79.05510	0.3
81.07061	0.5
86.09710	21.7
86.10237	0.7
103.10303	0.3
104.10770	2.4
110.48109	0.3
125.00004	12.1
134.28600	0.3
143.65735	0.3
162.16687	0.3
184.07346	100.0
187.54143	0.3
220.54730	0.3
363.17609	0.3
392.56232	0.3
435.10114	0.4
500.31418	0.7
518.32452	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	518.3245
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
60.07915	0.7
60.08174	15.0
60.51915	0.6
67.05505	1.3
71.07388	1.4
74.14247	0.6
76.98331	0.8
79.55048	0.8
81.07060	1.1
86.09711	42.3
86.10233	1.5
93.07056	1.1
104.10751	97.8
125.00002	17.9
147.88776	0.7
172.08488	0.7
184.07341	100.0
231.92126	0.7
500.31323	6.5
518.32416	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	518.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	1.2
70.06584	0.6
72.08132	1.2
84.05629	0.3
85.02902	0.6
86.09705	0.6
96.57027	0.3
121.85139	0.3
130.06564	0.3
130.78702	0.3
139.38107	0.4
150.25963	0.3
160.07574	36.0
161.08344	0.6
170.09671	1.6
174.09164	1.4
186.09145	100.0
187.09927	35.0
202.10985	1.1
203.11783	0.6
217.13373	5.9
218.14146	24.8
256.70718	0.3
267.54425	0.3
297.22821	0.6
299.17422	0.4
317.18613	1.4
439.37155	0.3
518.27643	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06572	1.6
70.06555	0.3
72.08118	1.9
73.91341	0.4
79.64238	0.4
83.04926	0.5
84.08123	0.6
93.88184	0.4
116.10734	0.7
144.08086	23.8
145.08862	0.7
157.08461	0.5
158.09622	1.6
170.09644	100.0
171.10423	34.1
174.14934	2.1
192.15936	2.4
201.13869	4.0
202.14648	34.3
273.19635	0.4
274.20087	4.9
313.09213	0.5
314.72864	0.4
401.18982	1.5
412.16095	0.6
415.25772	4.1
431.25885	2.2
459.24899	45.1
472.60681	0.4
474.33850	2.2
500.25943	5.9
516.58160	0.5
518.32721	25.6
538.44385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05512	2.1
57.07079	0.5
57.22220	0.5
58.06593	2.9
60.08144	1.1
60.65184	0.5
62.06082	1.3
66.21853	0.5
67.05501	2.6
69.03420	4.0
69.07078	4.1
69.82884	0.6
70.06598	1.1
72.08150	1.1
79.05496	2.8
81.03416	2.6
81.06609	1.0
81.07066	24.4
83.08615	0.6
84.08140	1.3
85.02913	10.2
85.08936	1.3
86.09712	47.8
87.00840	4.8
87.10031	10.2
91.05502	2.3
93.07030	5.9
95.04958	0.9
95.08617	13.6
97.02893	4.1
97.06536	3.6
97.10156	1.4
98.06834	0.7
99.04426	1.3
105.01876	10.9
105.07036	7.8
107.08588	5.4
109.02879	2.5
109.10149	4.4
110.05991	0.6
111.08059	1.0
114.12811	100.0
115.13143	29.1
119.07313	0.7
119.08587	11.7
121.10168	5.1
123.08047	0.7
123.11729	9.9
125.09614	0.7
127.03930	7.5
130.12309	0.8
133.10120	7.8
134.06030	3.7
135.06856	4.1
135.11711	6.6
136.07176	0.7
139.07559	0.7
141.10187	0.8
143.08540	1.1
145.04971	2.9
147.11668	3.8
149.13232	0.7
153.03207	0.6
153.09091	0.9
154.12256	1.0
155.12624	1.1
157.10081	2.3
158.11766	16.0
159.02907	0.8
159.12074	7.3
161.09608	1.1
161.13260	12.1
166.15912	1.0
167.16318	1.0
173.13252	0.8
175.11174	0.8
175.14723	0.8
180.10207	2.9
181.10489	0.7
189.11403	0.8
189.16397	15.7
190.12230	3.8
191.12660	2.8
199.14783	1.1
202.12253	6.3
203.12601	3.8
209.13724	1.0
212.10741	0.7
217.15892	6.5
221.08142	0.8
230.11740	0.7
231.05023	3.4
235.16957	15.9
249.06039	5.9
249.15822	1.0
261.16022	2.8
262.16266	4.4
284.09641	1.1
315.20709	0.8
316.17419	1.1
316.20886	0.7
429.25647	1.3
447.19937	1.2
457.28931	2.6
458.29523	1.2
465.21405	1.1
518.22540	2.7
518.34192	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39690	3.8
66.09672	3.9
67.05487	5.7
68.54826	3.9
72.08135	4.0
74.38689	4.7
81.07076	76.0
85.02913	4.8
92.18475	7.4
93.07050	7.9
95.08598	44.0
105.01868	6.3
105.07022	23.5
107.08635	6.0
109.10101	5.9
110.88345	4.4
114.12805	7.8
119.08584	42.1
121.10133	4.8
121.88691	4.4
123.11700	21.2
127.03906	7.2
133.10139	29.1
135.11707	6.3
147.11693	10.3
153.09155	8.1
161.13245	39.8
173.13297	4.8
180.97411	4.8
189.16368	100.0
217.15915	27.6
235.16867	26.5
261.21698	5.1
272.43170	4.3
324.64651	4.6
345.95090	4.8
518.34900	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	518.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	0.7
55.05518	9.0
57.07064	2.0
59.04989	1.0
62.06103	0.4
69.03427	0.7
72.08137	0.5
79.05492	0.4
81.03400	0.9
81.07034	2.0
83.04961	2.0
85.02893	0.9
87.00835	0.4
91.05481	0.5
93.07031	0.8
95.04948	2.0
95.08622	0.7
97.02845	0.5
97.06544	0.6
105.07034	2.2
107.08598	2.9
109.06488	1.6
109.10137	1.7
114.09165	0.4
119.08573	3.7
121.06517	0.4
123.11720	0.5
125.05985	10.3
127.03938	0.5
133.10130	5.2
135.08063	8.7
135.11737	0.6
137.05972	2.5
137.09630	3.2
143.08591	0.7
144.08139	0.5
147.11671	0.9
149.09590	4.1
151.11169	2.5
157.10129	0.9
159.11656	1.5
161.09604	9.6
162.10364	0.8
163.11174	5.2
171.11729	0.4
173.13315	0.5
175.11131	0.5
175.14781	0.6
179.10669	42.8
181.12267	0.7
189.16385	2.2
199.14893	0.8
217.15878	14.9
223.37067	0.5
235.16919	100.0
483.21887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.7
67.05509	3.3
69.03423	2.5
69.07078	6.4
79.05507	2.8
81.07074	30.0
83.04967	3.0
85.02886	2.4
91.05481	7.9
93.07037	18.8
95.05003	3.1
95.08609	13.6
97.06544	6.3
104.94609	1.6
105.07039	26.5
107.08614	32.7
109.06504	2.3
109.10182	4.0
117.07043	2.0
119.08586	31.2
121.10165	12.2
123.08063	2.0
129.07008	7.4
131.08569	12.9
133.10143	31.7
135.11722	13.2
137.09593	1.6
142.07777	3.8
143.08565	26.4
145.10146	25.9
147.11702	11.5
149.09679	2.6
156.09349	7.1
157.10129	44.1
158.10966	2.3
159.02899	2.3
159.11720	32.7
161.09633	3.5
161.13306	2.4
163.03944	7.1
170.10980	2.2
171.11661	17.4
173.13240	9.4
173.45047	1.6
175.11272	2.3
175.14864	8.4
184.12447	6.7
187.14790	16.3
189.16394	9.1
199.14854	40.6
205.15968	1.9
217.15883	55.5
235.16951	100.0
518.25531	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	518.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61414	0.4
55.05517	0.4
56.05017	0.5
58.06573	2.1
61.61831	0.4
67.68201	0.4
70.06599	6.7
72.08163	27.0
73.08502	0.5
75.09224	2.8
81.80112	0.4
84.04507	0.7
84.08132	2.2
86.09702	1.9
89.10828	0.4
98.06026	0.5
100.07621	0.9
101.07171	0.5
107.04952	0.5
110.05975	0.5
110.07171	0.7
110.09694	0.6
112.11235	3.6
113.07143	1.1
114.10290	0.5
115.08619	0.5
121.08945	0.4
123.04431	1.0
129.10265	0.7
129.13896	4.2
135.04448	1.1
136.03954	0.5
137.05952	0.9
145.02858	1.6
146.16542	4.6
147.04405	3.9
150.03143	0.9
155.10571	1.0
155.11801	20.8
156.55888	0.4
163.03894	34.3
164.04248	0.6
165.05522	0.6
172.14413	5.8
175.03873	0.8
178.02620	12.4
193.04976	100.0
198.20058	0.5
217.07242	0.7
217.11839	0.6
218.13794	0.5
220.09689	74.9
221.10078	0.9
222.11282	0.8
233.83353	0.5
234.11218	0.8
237.12236	3.3
238.10641	0.5
250.10695	5.0
252.08684	0.6
259.16696	0.4
264.12384	2.9
291.17108	7.3
308.19687	8.6
321.18518	0.6
338.20856	1.9
500.23972	34.8
518.25012	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04384	9.4
55.05525	13.9
58.53664	10.7
67.05505	45.5
69.07066	54.1
76.30028	10.3
81.07069	90.4
83.08627	48.0
87.85571	12.3
91.05470	20.8
93.07058	19.8
95.08628	56.7
97.10187	13.5
99.08198	14.5
101.61353	10.8
105.07043	18.0
107.08588	51.4
109.10150	72.6
116.36871	12.8
119.08563	49.4
121.10129	22.5
123.08118	15.0
123.11703	57.9
128.30775	13.4
133.10141	75.4
137.09544	13.9
147.11696	27.0
161.13245	15.5
165.16368	16.2
176.36935	14.4
189.16383	100.0
207.17435	68.3
208.97246	12.6
225.18452	19.9
243.19618	24.3
257.21100	24.4
275.22214	48.7
352.35864	11.1
377.30835	12.2
449.36191	16.9
467.37280	13.3
517.41040	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	517.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83838	1.4
57.94483	1.6
63.93681	1.4
65.58788	1.6
67.05499	2.5
74.27734	1.8
81.07055	10.9
83.08638	2.3
84.24448	2.0
91.05500	1.8
95.08617	8.1
99.81919	1.7
105.07041	7.2
107.08588	10.3
109.10171	3.6
119.08584	2.3
121.10137	6.4
128.79021	1.7
131.08588	2.0
133.10141	3.9
135.11726	7.3
145.10158	15.1
147.11714	28.2
149.13274	2.2
159.11693	16.3
161.13251	86.9
170.12138	1.9
173.13255	7.0
185.13202	2.5
199.14795	3.2
219.34442	1.7
255.21071	100.0
275.34500	2.0
311.89255	1.8
341.37970	2.0
359.25803	84.6
413.34244	7.2
516.32574	2.0
517.38611	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	517.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	2.0
60.08185	0.4
61.11243	0.3
62.06070	1.2
65.13205	0.3
67.77609	0.3
69.03438	0.4
69.07065	2.4
84.08169	0.8
85.08928	2.4
86.09713	43.3
97.06529	4.2
97.61289	0.3
114.12813	100.0
130.12283	1.6
134.06012	3.7
135.06810	4.5
136.07622	0.7
141.10211	0.8
152.10690	0.6
154.12288	1.8
158.11774	17.5
166.15955	1.6
180.10168	3.2
182.11909	0.4
182.15378	0.4
189.11467	1.7
190.12282	5.1
194.90193	0.4
197.16426	0.4
200.10637	0.7
202.12291	6.7
204.55399	0.4
208.13329	0.7
210.14983	0.5
214.04863	0.4
229.13382	1.3
230.11719	1.5
247.14481	0.8
249.15977	2.1
261.16016	4.1
269.18491	0.5
303.20679	0.5
315.17035	2.5
315.20493	1.1
428.25543	2.1
456.28564	3.0
457.29187	1.6
517.33856	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77396	0.5
55.21135	0.6
67.05498	0.9
69.07063	0.7
69.07549	0.6
79.05483	1.2
81.07065	9.2
83.08583	0.8
87.04469	0.9
91.05483	1.0
92.02495	0.6
93.07045	4.1
94.31736	0.6
95.08593	6.9
105.07050	5.7
107.08607	11.8
109.10149	2.8
117.06998	4.1
119.08601	4.6
121.10150	4.1
123.11635	0.6
131.08577	4.7
133.10144	7.1
135.11671	5.5
137.13240	0.7
145.10118	17.0
147.11688	21.8
147.12784	1.0
149.13283	1.3
153.34541	0.5
159.11696	15.1
161.13254	85.9
171.11644	0.7
173.13271	9.3
175.14784	1.1
185.13210	1.5
187.14838	3.4
189.16422	0.6
191.01207	0.7
199.14796	5.6
213.16405	3.0
227.17834	1.2
239.18259	0.6
255.21066	92.1
359.25809	100.0
367.29956	0.7
395.29077	3.2
413.30362	0.9
427.04456	0.5
445.61243	0.6
499.34073	3.2
517.35406	25.0
544.33276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26365	0.5
58.06587	2.9
58.62130	0.6
60.08142	1.0
61.50394	0.5
62.06082	1.0
66.75089	0.6
69.03427	0.6
69.07053	2.7
84.08136	2.6
85.08915	1.3
86.09709	50.2
97.06553	4.2
98.06908	0.6
111.04414	0.5
114.12804	100.0
130.12285	0.8
134.06013	3.6
135.06842	5.4
136.07533	1.3
141.10245	0.9
148.07585	0.6
154.12274	1.0
158.11758	18.6
166.15959	1.1
180.10185	4.1
186.09138	1.2
189.11472	2.3
190.12242	5.2
196.87068	0.6
202.12260	8.1
208.13312	0.7
229.13481	2.1
230.11819	0.9
247.14383	0.9
249.16010	0.9
261.15997	3.0
269.08118	0.6
315.16977	2.5
315.20398	1.3
322.63480	0.6
428.25424	1.1
456.28455	2.6
457.29431	0.9
517.33826	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	517.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25872	5.4
50.63745	4.6
55.05511	10.4
55.80709	4.7
57.03416	6.3
58.69718	4.9
67.05513	90.3
69.07063	34.3
76.22760	4.9
79.05493	24.0
81.07068	92.6
83.08621	26.7
91.05470	7.2
92.32013	5.6
93.07048	34.9
94.51782	5.8
95.08613	100.0
95.34756	5.4
97.06537	8.9
97.10172	22.2
102.68443	4.7
103.17775	5.7
105.07028	12.0
107.08620	21.1
109.10176	50.4
120.83855	5.0
121.10155	31.1
123.11684	33.4
133.10107	24.1
135.11665	22.7
144.10263	6.4
146.55690	7.0
147.11702	25.7
149.13287	9.4
154.17505	5.6
161.13234	27.7
163.14803	6.8
175.14806	11.4
179.17836	6.1
231.62035	6.9
236.14963	11.9
245.22679	60.3
255.21120	10.0
263.23706	87.0
337.27081	39.8
359.25806	13.0
446.05719	6.1
499.32687	7.9
517.18207	7.9
517.35291	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	17.7
55.85688	3.0
56.40152	2.7
57.03435	12.5
57.07086	5.1
58.06609	4.4
60.08179	2.8
62.19729	3.7
62.89323	2.5
65.27807	2.7
67.05513	60.2
69.07067	26.9
70.37013	2.8
70.70168	2.6
71.08630	5.6
79.05491	23.4
81.03403	3.6
81.07058	100.0
83.08623	20.5
85.02898	4.7
91.05482	13.5
93.07045	25.9
95.05025	3.6
95.08609	96.7
97.06524	5.9
97.10149	15.5
105.07045	13.2
107.08588	25.1
109.10157	49.3
109.37648	3.0
111.08091	5.3
119.08589	14.2
121.10114	25.6
123.11724	26.9
133.10136	17.8
135.11693	17.7
137.09615	2.9
137.13214	4.3
137.55098	4.1
144.10211	11.9
146.55705	58.0
147.11678	13.1
149.13216	4.2
151.14830	4.2
155.56209	12.5
158.06491	6.0
161.13248	14.2
163.14827	4.6
165.16457	4.8
175.14799	6.5
236.14915	26.6
245.22630	40.6
263.23676	83.6
263.46613	3.1
319.19485	12.0
337.20642	6.9
337.27335	53.0
354.15936	3.1
355.28568	16.3
410.50961	3.5
499.32709	16.3
517.35107	91.1
517.84991	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	517.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86515	0.3
53.96828	0.3
54.26157	0.3
72.04491	0.7
72.08160	3.9
82.24374	0.3
84.05636	5.2
85.02876	0.7
92.18460	0.7
99.08045	0.6
114.09180	16.3
114.09950	0.6
138.10239	1.2
187.10933	0.4
197.13992	48.0
201.60973	0.3
212.36841	0.3
223.15425	0.3
224.13991	2.8
242.15038	1.6
269.15927	0.6
278.18637	1.3
291.21854	1.1
296.19681	1.4
337.22357	24.5
339.24054	1.5
355.23419	78.0
397.24353	0.4
517.28766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38580	0.7
58.23932	0.7
63.10048	0.7
72.08159	1.2
82.36878	0.8
85.25384	0.9
85.91879	0.9
93.07035	1.0
105.06982	1.0
114.09137	1.2
144.08092	28.8
158.09677	1.6
161.05971	1.3
170.09642	100.0
171.10425	21.9
186.09146	5.6
187.09616	1.1
191.07115	1.6
192.07794	4.4
200.88240	1.0
201.13876	5.4
202.14661	12.9
485.25858	1.8
490.18945	1.1
517.20752	2.7
517.28052	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34724	0.6
53.67716	0.5
53.85624	0.6
55.88559	0.7
69.03424	1.0
70.06605	12.3
72.04503	1.0
72.08156	5.5
75.98314	0.9
77.50845	0.6
80.33692	0.8
81.07040	1.1
84.05644	6.2
84.08144	1.2
85.02946	0.8
86.09702	1.3
92.17807	0.8
97.06476	0.7
100.05130	1.7
107.08572	0.9
109.02809	0.7
112.07597	1.2
114.09178	20.6
120.08126	1.3
121.10147	0.8
136.07692	1.2
136.08694	10.3
138.10287	2.8
153.11418	2.8
154.09772	1.0
159.11731	1.3
175.07594	0.7
177.11368	0.8
180.11386	0.7
188.38216	0.7
195.12376	3.1
197.14009	14.1
224.92673	0.7
226.15572	1.5
242.15068	5.2
266.18637	1.3
278.18674	1.5
280.20294	1.5
281.18677	0.8
296.19702	8.7
313.22241	1.2
334.32196	0.7
337.22427	6.0
339.23972	10.3
355.23419	100.0
407.02716	0.8
499.24829	3.0
517.28784	91.6
530.51929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	2.4
59.07375	0.8
60.08175	11.7
61.08498	2.1
61.08778	0.4
69.07058	0.4
86.09704	6.7
87.10062	2.7
97.06509	1.9
98.06918	0.6
114.09183	0.6
134.06050	1.5
135.06346	0.5
136.07523	0.4
141.10223	0.5
146.06136	0.4
152.10718	0.4
160.07579	34.4
161.08311	0.7
170.09654	2.4
174.09163	0.8
186.09152	100.0
187.03358	0.4
187.09932	26.3
190.12247	0.8
191.12523	0.6
202.10873	0.9
202.12537	1.1
203.12561	1.9
204.12863	0.7
217.13351	4.9
218.14146	14.7
395.31851	0.4
489.37170	0.7
517.28082	62.2
517.36438	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	0.7
58.07517	0.3
58.43320	0.3
58.85316	0.3
69.07059	0.4
70.06599	0.4
71.42027	0.3
92.18372	0.5
95.08554	0.7
104.49419	0.4
105.07064	0.6
133.10060	0.4
144.08092	27.2
145.08850	0.7
147.06706	0.4
151.07703	0.5
158.09625	1.6
160.07596	3.9
170.09651	100.0
171.10437	22.8
186.09163	8.0
187.09952	1.9
187.12497	0.5
201.13869	5.0
202.14658	15.4
218.14275	0.6
348.55902	0.4
517.28326	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2779
Annotation	Asp Gln Val Arg
Peak:m/z	Relative Intensity
53.58342	2.6
57.06577	2.4
58.83859	2.4
59.04644	2.8
63.38814	2.8
67.84551	3.1
101.16401	2.8
101.37446	3.1
106.82450	3.0
126.25583	2.9
190.24948	3.0
233.32094	3.3
273.02643	3.1
316.80969	3.4
321.24469	3.4
517.27734	100.0
517.36621	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	517.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17925	0.5
52.05998	0.6
58.06591	1.3
59.27195	0.6
61.50618	0.7
70.06599	6.0
72.08160	15.3
84.08167	2.9
86.71112	0.7
92.18468	1.3
93.93801	0.6
95.08466	0.6
97.02958	0.8
98.72411	0.8
100.07640	1.6
111.33209	0.6
112.07602	2.8
112.11243	4.7
114.09142	1.2
115.08701	0.7
126.09174	3.1
129.13884	2.8
131.01308	0.7
155.11790	10.1
163.03944	2.7
170.09746	3.2
172.14487	3.7
177.05534	3.4
178.04958	1.5
220.09731	0.9
234.11324	1.7
251.14124	1.0
258.07797	1.2
284.09317	0.7
286.10773	1.6
308.09155	0.8
308.19443	1.1
310.10977	1.1
311.10495	1.2
312.08664	15.1
314.10135	6.3
325.11932	1.2
326.10162	1.3
328.11917	4.2
329.11459	3.0
336.08762	1.4
338.10284	1.2
353.11383	6.5
354.09741	14.2
356.14059	0.9
357.14615	1.5
382.17664	1.0
383.16238	3.3
393.14529	1.5
400.18661	27.3
400.23621	1.2
409.84567	0.8
410.17172	3.3
411.15527	11.7
413.17133	1.2
425.17313	4.4
441.25439	1.0
481.24741	4.3
482.22934	9.3
499.25531	100.0
517.26764	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2662
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
58.06598	3.1
62.07776	0.6
63.57426	0.7
69.50379	0.6
70.06596	5.8
72.08154	15.5
84.08154	5.1
88.60830	0.7
97.00393	0.6
100.07617	3.2
110.09715	1.0
112.07617	10.6
112.11239	3.7
114.12756	1.1
124.89864	0.8
126.09151	0.9
129.13919	1.3
146.16521	0.9
155.11803	8.8
163.03914	1.3
172.14432	1.1
178.05019	3.3
190.04900	0.9
192.06586	3.0
220.09769	3.8
258.07803	0.8
270.07693	1.0
284.09262	2.8
286.10794	1.4
292.17856	1.0
310.10294	0.8
311.10321	0.9
312.08661	15.9
314.10425	5.7
326.10318	3.1
328.11743	5.1
329.11264	1.0
332.24216	1.0
336.08618	3.4
338.10135	1.5
338.83490	0.7
353.11472	4.4
354.09720	17.0
369.14700	1.1
383.16046	2.8
393.14691	1.0
397.17520	0.9
400.18665	23.2
410.17117	3.0
411.15448	18.5
424.18771	0.8
425.17279	3.1
481.24683	4.7
482.22775	7.4
499.25519	100.0
517.26660	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	517.2448
Annotation	Arisanschinin J
Peak:m/z	Relative Intensity
53.17551	0.2
53.40316	0.2
56.18407	0.2
58.06594	1.0
68.42831	0.2
70.06583	0.2
72.08138	0.2
80.02519	0.2
81.07056	0.3
117.63132	0.2
136.07552	0.2
144.08076	0.3
157.10002	0.2
160.07581	36.9
161.08382	0.8
170.09628	2.2
172.07399	0.2
174.07809	0.2
174.09116	1.8
175.09984	0.3
186.09149	100.0
187.09926	25.4
200.13124	0.8
202.09322	0.2
202.11038	1.2
203.11794	0.9
217.13371	5.2
218.14148	14.9
418.68329	0.2
517.24475	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52872	0.5
59.11463	0.6
59.99120	12.2
67.05646	0.5
69.07073	0.7
69.69224	0.5
72.04510	2.6
72.08167	1.4
85.02856	0.6
86.09701	0.7
88.02222	46.7
100.07600	1.4
109.53757	0.7
116.05325	37.4
148.13310	0.6
174.33054	0.7
192.07780	1.0
211.94226	2.3
252.05202	0.8
255.02013	3.7
268.04581	13.1
283.01550	43.8
284.02298	17.2
284.05261	1.0
311.01071	9.9
312.01794	11.8
326.03241	5.1
339.97104	0.6
340.01407	3.2
345.73114	0.7
354.02850	22.6
356.00562	4.1
382.02591	1.1
384.00293	11.3
388.03220	1.0
398.02097	1.2
416.02954	13.3
426.01279	0.9
444.02448	45.2
446.08047	0.7
517.11359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30705	0.6
55.05528	0.8
58.06601	4.7
59.52697	0.7
70.06601	7.8
72.08157	20.8
74.10857	0.6
77.41718	0.6
84.04490	0.8
84.08151	17.6
85.02889	1.1
86.09716	7.2
88.11259	0.9
93.07024	1.4
98.06051	1.7
107.98263	0.7
112.11249	46.1
113.07119	5.8
113.37800	0.8
113.42252	0.9
115.08692	1.1
128.86765	0.8
129.10255	3.2
129.13882	19.8
137.05983	4.2
155.11801	25.4
170.09708	1.0
172.14404	6.4
177.05505	1.6
232.09608	1.0
237.01891	0.7
239.07037	1.1
263.07068	7.3
271.09671	4.3
279.06580	0.9
293.08054	1.4
294.08859	0.9
295.09473	1.5
297.07773	1.5
311.09213	1.7
313.10956	1.0
338.10156	1.6
395.16080	3.1
396.14420	3.0
410.15863	1.1
413.17081	8.9
466.23383	1.7
484.24435	100.0
516.27618	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	517.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49493	0.5
52.61915	0.6
53.64207	0.6
59.98866	0.8
59.99120	13.4
61.69057	0.6
69.03437	1.2
72.04530	1.1
72.08168	4.8
84.08141	0.7
85.06580	0.7
88.02222	47.2
92.17883	0.8
93.07033	1.1
95.08617	1.1
97.06525	0.8
100.07645	1.6
105.07030	0.8
107.04839	0.6
113.90355	0.6
116.05316	49.1
119.08582	0.7
121.06530	0.9
131.04910	1.1
131.08560	0.7
132.05670	1.1
144.08093	1.6
149.09691	1.2
160.05232	0.8
161.05991	1.6
170.09641	5.7
171.10402	1.4
191.07068	3.2
192.07832	13.1
193.08543	1.1
202.14594	0.9
211.94298	2.8
223.04236	1.2
239.04375	0.8
243.80891	0.7
252.05008	1.1
255.01991	5.5
268.04626	17.6
283.01544	52.0
284.02322	24.9
311.01050	16.2
312.01862	15.1
326.03378	7.3
338.00214	0.8
340.01318	4.6
353.10303	1.4
354.02905	21.2
356.00903	3.9
356.08191	0.9
384.00421	12.4
384.05261	1.3
388.03360	1.0
398.01804	1.0
416.02921	12.7
423.79175	0.8
444.02429	55.7
454.87476	0.7
517.11389	100.0
517.19568	7.6
517.26862	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	516.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41659	0.6
56.18885	0.6
58.06612	100.0
59.07397	11.0
60.08159	1.7
67.17416	0.8
92.18354	1.0
105.07064	0.8
115.67948	0.7
120.08096	1.3
131.04935	12.5
146.06030	1.6
219.14940	16.4
238.12317	1.0
247.98099	0.7
297.22931	0.7
424.41895	0.8
516.24921	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50158	0.4
58.06620	0.9
60.84455	0.4
70.06596	1.9
72.08164	9.1
84.08129	2.3
89.03886	0.5
112.11259	4.4
114.09181	2.4
117.03394	0.9
125.78058	0.5
129.13892	3.2
145.02858	24.5
153.05476	8.8
155.11787	2.0
163.03914	10.8
167.07018	1.8
172.14508	0.5
176.07095	0.6
177.05475	77.2
193.04965	1.0
216.18750	0.5
220.09691	8.6
233.12854	0.5
233.21907	0.5
234.11261	64.6
252.12340	1.2
253.00447	0.4
266.13901	6.9
283.16635	0.9
323.19702	6.0
340.22369	9.0
354.23874	1.2
470.54208	0.6
499.24194	0.6
516.27094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	99.6
59.07393	8.9
60.08164	3.8
74.32756	0.7
74.74432	0.8
76.35269	0.7
79.49555	0.7
92.17875	1.2
94.82234	0.9
100.07606	1.4
101.91155	0.8
120.08131	1.5
127.17007	0.7
131.04939	13.9
146.06062	1.7
186.46187	0.8
219.14955	18.9
238.12340	0.8
300.42334	0.8
380.92703	0.8
481.83102	0.8
516.24951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.9
57.03455	1.0
67.05506	1.6
69.03426	7.0
72.08162	1.5
76.24483	1.0
79.05485	2.3
81.03403	1.0
81.07066	11.9
85.02917	10.4
87.00842	2.0
91.05491	6.3
93.07040	18.6
95.04963	6.5
95.08609	9.6
97.02894	2.1
97.06533	9.9
99.04411	0.9
99.09097	0.9
105.01861	2.0
105.07039	24.5
107.04866	1.4
107.08600	6.8
109.02856	1.3
109.06535	1.1
111.08061	1.6
119.08591	9.9
121.06542	1.7
121.10262	1.4
123.08066	1.9
127.03938	2.1
127.07520	1.1
129.07040	1.1
131.08571	11.5
133.10136	83.6
135.08093	4.7
137.09586	4.7
139.07559	4.9
142.07791	12.7
143.08569	5.3
145.10091	10.1
147.08090	1.3
147.11694	25.1
153.09117	5.4
155.08566	6.1
156.09361	6.6
157.10130	100.0
158.10919	2.4
159.08083	2.1
159.11673	7.4
160.08672	1.4
161.09613	8.0
169.10097	8.6
170.09651	5.1
171.11693	8.1
172.12460	11.8
173.09715	1.9
173.13264	34.8
175.11185	41.5
182.10941	18.5
187.14830	9.4
191.10541	1.1
191.14285	1.9
197.13275	35.2
203.14349	1.1
205.15962	1.5
215.14317	88.5
231.05063	1.7
233.15364	54.6
249.05913	1.3
268.69717	1.1
283.04849	1.4
293.57919	1.2
323.16113	1.5
334.37851	1.1
358.08661	1.2
435.20740	5.3
445.18484	6.6
463.19400	2.5
481.20639	2.0
516.13361	1.8
516.23981	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	516.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16404	0.4
55.05511	2.9
61.02940	0.6
69.03419	2.3
70.06573	2.5
71.04988	0.5
72.08143	2.1
80.94965	0.5
81.03400	0.8
83.04965	0.6
85.02891	3.0
86.06058	0.7
86.09674	0.5
87.00823	0.6
88.59676	0.4
91.05460	0.7
93.07027	2.6
93.21428	0.5
95.04934	0.6
97.02893	1.1
97.24032	0.5
105.01859	1.1
105.07021	0.7
107.08601	3.1
109.02887	2.1
109.10138	0.6
115.93361	0.6
118.20629	0.5
121.10126	2.0
124.34326	0.5
127.03909	2.6
131.08539	1.1
133.10141	0.5
135.08063	0.7
142.08578	0.4
145.04982	0.6
147.04395	0.7
147.11595	0.5
149.09622	100.0
159.02963	0.6
161.09615	4.9
163.03914	2.9
163.07365	0.4
164.07066	1.1
167.07034	0.9
168.07411	0.5
170.09654	0.5
175.11171	2.0
177.09105	1.0
179.10678	6.1
192.93321	0.5
214.05724	0.8
215.14243	0.8
233.15352	64.0
249.06190	0.5
251.16566	0.6
278.72589	0.5
304.06863	1.2
321.07132	1.0
325.46283	0.5
335.09021	1.1
336.09439	3.2
367.12018	0.7
368.12073	4.5
389.33096	0.6
402.21158	0.9
435.20819	0.7
481.20807	2.9
501.21774	0.7
516.24133	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	516.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.8
57.21599	0.6
70.06596	53.6
70.96010	0.5
71.46923	0.6
72.08156	1.1
72.62727	0.6
74.06075	0.7
84.04493	1.0
84.08143	0.9
86.09688	0.8
88.11257	1.3
99.23955	0.7
103.05437	0.8
112.07607	100.0
120.08103	56.4
131.04953	0.7
136.06310	0.7
140.07069	63.2
148.06052	2.4
149.05966	1.0
157.09721	23.0
166.08633	36.1
195.97951	0.8
240.13422	3.6
245.11308	0.8
249.10823	3.3
253.97191	0.7
268.12924	16.9
341.18225	1.3
351.16635	1.2
369.17679	11.7
481.19449	2.5
498.21936	27.4
509.43115	0.7
516.22937	3.2
518.06342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38483	0.5
59.47578	0.5
62.64950	0.5
79.45069	0.5
81.03263	0.5
103.05489	1.1
117.07040	0.8
118.04153	0.8
131.04918	5.1
132.05708	1.1
133.02875	5.0
149.05983	1.1
160.05194	1.2
163.03911	3.8
173.06013	0.8
176.04668	0.9
177.05475	100.0
179.07043	3.3
186.06781	0.9
190.06248	2.5
191.07024	19.9
192.07816	15.4
205.04913	6.3
206.05769	7.9
207.06540	26.7
212.93744	0.7
219.10205	0.7
341.62344	0.6
367.07993	0.7
382.10516	1.2
397.12875	17.9
457.14941	44.6
516.22327	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93810	0.7
55.29767	0.7
60.61738	0.7
61.95935	0.8
64.95685	0.7
70.06583	1.1
72.08149	4.1
81.07070	1.7
82.51571	0.8
85.02882	1.2
86.09718	4.1
90.72646	0.8
93.07039	1.4
95.08608	0.9
98.06064	1.0
105.07047	1.6
107.08612	2.1
113.67122	0.8
116.05354	1.3
119.08510	1.3
121.10144	1.2
122.06073	0.9
127.03896	1.1
130.29640	0.8
130.79253	0.8
131.08575	1.7
133.10170	3.5
137.09633	2.1
143.11775	1.7
145.10112	4.9
153.09099	1.3
154.13889	1.0
157.10185	1.8
171.11508	0.8
173.13268	3.3
187.10898	1.2
187.14774	2.7
197.13316	1.6
215.10413	1.2
215.14377	7.3
226.07922	0.9
233.15396	8.0
239.04332	24.1
242.03113	1.4
267.03915	11.6
268.04602	9.1
268.07065	1.0
294.06210	3.8
296.04053	1.1
310.05765	1.5
365.11227	6.9
366.12103	5.0
374.14780	1.4
383.12302	4.8
384.13031	2.1
385.20886	1.7
394.11453	25.8
408.12982	39.0
412.12329	5.7
426.13943	19.1
436.12521	6.5
438.10431	16.2
456.11530	3.6
498.12534	52.6
516.13580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	6.4
59.07376	2.6
60.08173	39.5
62.24129	0.5
69.07065	1.0
71.08603	0.5
84.08150	3.2
86.09711	26.4
97.06539	6.7
114.09145	0.6
114.12820	0.8
119.07330	1.2
125.86672	0.5
131.04950	0.6
134.06029	9.1
134.76335	0.6
135.06773	1.2
136.07579	1.9
141.10231	2.2
146.06010	1.2
152.10690	1.3
154.15883	0.9
166.12263	0.6
173.16484	1.3
180.13841	2.6
182.15530	0.8
190.12286	7.6
197.16565	0.6
200.10709	0.8
202.12267	11.3
208.13284	2.0
229.13359	1.3
230.11775	0.5
265.95370	0.6
315.20734	1.1
456.28482	0.8
487.36179	3.8
515.35938	100.0
531.17389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28242	0.6
54.51654	0.5
58.06606	4.3
58.57155	0.5
59.07376	3.4
60.08173	46.3
62.83011	0.6
69.07065	1.4
73.94310	0.5
84.08141	2.6
86.09212	1.2
86.09710	28.4
92.18448	1.5
97.06525	9.2
100.11284	0.7
110.24689	0.6
112.07645	0.7
114.09171	1.3
119.07301	1.1
126.09131	0.7
131.05113	0.5
134.06021	8.8
136.07608	1.0
141.10205	3.3
152.10695	3.0
173.16510	2.4
174.05563	1.1
180.13840	3.1
181.14592	0.7
190.12270	7.8
200.10651	1.0
202.12257	16.7
208.13310	3.0
208.60228	0.7
212.10698	0.7
229.13368	2.2
234.51625	0.7
247.14424	1.3
315.20700	1.0
439.86389	0.6
455.68109	0.7
472.41986	0.7
487.36530	4.2
515.35938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45741	0.4
52.55942	0.4
53.31110	0.5
58.06609	6.3
59.07383	2.9
60.08171	44.6
69.07053	1.4
77.97074	0.5
84.08144	1.3
86.09708	27.5
95.52603	0.5
97.06548	7.0
113.10731	0.6
114.09225	1.5
114.95908	0.7
119.07265	1.0
133.61108	0.6
134.06007	8.7
136.07613	1.1
141.09187	0.7
141.10251	2.6
152.10698	2.8
154.15918	0.7
160.07629	0.7
166.12325	0.7
173.16513	3.1
180.13783	2.8
182.15411	1.3
190.12279	7.3
200.10788	0.9
202.12283	11.8
208.13353	0.7
229.13409	1.1
315.20700	1.2
487.36758	4.0
515.35919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84395	2.2
55.05522	12.3
57.03447	4.7
65.03944	3.0
67.05518	70.3
69.07079	17.8
71.05023	4.0
79.05502	44.9
81.03432	3.4
81.07062	82.3
82.71191	2.7
83.05033	3.9
83.08631	15.5
83.43443	3.4
84.08157	4.0
85.02905	3.7
91.05473	28.8
93.07048	59.8
93.07597	2.8
95.08610	85.9
95.09159	3.9
97.06546	6.2
97.10172	6.3
99.08088	3.3
105.07067	16.1
107.08605	62.8
107.09231	4.2
109.06564	5.7
109.10165	46.3
117.07040	13.1
119.08579	29.7
121.10143	69.9
121.10968	4.1
123.08108	3.3
123.11703	23.3
131.08582	31.7
133.10152	26.6
135.11702	54.1
137.13286	3.3
145.10100	22.1
147.11749	16.2
149.09595	3.0
149.13266	35.6
151.11183	3.6
159.11726	18.5
161.13232	24.2
163.14772	23.6
173.13292	23.1
177.12793	3.1
177.16418	3.3
183.11836	3.3
187.14896	12.6
243.20981	34.5
261.22113	100.0
267.72510	3.0
335.25818	20.9
342.56891	3.0
353.26834	59.1
405.26511	3.4
461.28970	4.2
479.30179	6.8
497.31213	16.9
515.34930	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
55.05507	14.8
57.03441	6.7
57.07079	5.9
60.08156	3.1
60.73569	3.1
67.05515	80.4
69.03445	3.2
69.07067	20.0
72.36283	2.8
72.76508	2.4
79.05496	45.6
81.07070	100.0
83.08620	5.7
85.02917	4.9
86.09727	3.4
89.43890	2.8
90.35291	2.6
91.05486	20.0
93.07054	73.0
93.46659	2.7
95.04906	2.9
95.08620	77.1
95.29497	3.1
97.02932	3.5
97.06528	4.5
105.07040	20.5
107.08585	48.4
109.06514	4.2
109.10176	48.5
111.08020	3.4
117.07028	10.4
119.08587	26.2
121.10156	49.4
123.11722	15.9
129.07101	2.9
131.08618	29.9
133.10106	21.2
135.07996	3.1
135.11714	37.4
143.08536	3.6
145.10118	18.3
147.11697	18.8
149.13283	24.8
159.11693	21.5
161.13303	7.1
163.14790	12.6
173.13290	13.9
187.14833	5.8
237.15263	4.2
238.15456	4.0
243.21086	38.1
261.22131	80.2
279.23074	3.8
335.25790	31.2
353.26855	51.2
383.24203	3.1
404.90213	3.0
404.96341	3.4
461.28671	3.1
497.31033	28.1
515.35883	16.2
518.86981	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	6.8
57.03442	5.6
58.06610	5.1
60.08157	34.0
60.41698	3.5
67.05521	58.9
67.91875	4.1
69.07088	17.7
79.05508	40.5
81.07066	100.0
83.08640	8.1
86.09727	23.1
91.05505	20.4
92.18385	5.8
93.07038	73.9
95.08612	78.0
95.09145	4.2
97.02930	6.1
97.06516	6.0
105.07040	17.8
107.08608	65.9
109.10154	38.4
117.07034	6.9
119.08617	20.4
121.10120	46.3
123.11649	14.7
131.08594	21.5
133.10123	31.8
134.06046	6.7
135.11714	34.9
135.27972	4.3
145.10088	31.4
147.11737	21.4
149.13286	22.4
151.33516	4.2
155.79826	4.0
159.11731	25.0
159.70013	4.6
161.13234	63.5
163.14825	5.8
173.13289	23.9
187.14861	6.9
231.45222	5.1
243.21158	21.7
255.21017	63.3
261.22089	56.3
335.25879	22.4
353.26929	46.2
357.24182	60.1
379.52304	5.1
497.31183	24.5
515.36035	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.3
60.08174	6.5
64.39977	3.3
67.05518	75.3
69.03397	4.3
69.07055	15.6
73.02905	4.2
73.99072	3.4
79.05498	46.6
81.07061	80.9
81.15740	3.6
83.08633	8.4
86.09715	14.9
86.58555	3.9
91.05471	25.8
93.07060	59.8
95.04887	3.5
95.08604	71.9
96.37457	3.3
97.06520	6.9
99.68575	3.3
104.63013	3.3
105.07047	18.4
107.08609	47.0
109.06533	3.6
109.10159	44.5
117.07030	15.5
119.08582	29.0
121.10147	69.0
123.08033	5.2
123.11691	21.0
128.14847	3.5
131.07733	3.9
131.08582	37.4
133.10165	28.2
135.11687	37.4
141.15900	3.4
145.10141	18.3
147.11658	20.2
149.13286	26.4
159.11693	18.8
161.13260	22.3
163.14767	17.3
173.13243	24.0
175.14796	3.5
187.14816	7.8
201.16313	5.0
202.12320	4.1
243.21083	26.7
261.22141	100.0
335.25858	16.2
353.26892	50.1
405.26343	4.9
479.30444	6.2
497.31067	20.7
515.35992	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90240	0.9
79.55814	0.8
79.73274	0.8
203.05312	1.6
227.16238	1.1
348.80603	1.0
440.30695	0.9
469.88223	1.1
515.31964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18363	1.9
55.67868	2.6
59.85783	2.3
60.08183	2.4
106.09047	2.4
109.54147	2.3
151.95593	2.3
210.42601	2.6
333.69507	2.4
403.53070	2.5
515.31750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56887	0.4
58.06597	0.6
58.71414	0.3
59.03686	0.3
62.59906	0.3
67.09375	0.3
70.06567	0.5
72.08141	0.4
72.65820	0.3
73.17558	0.3
74.52019	0.4
78.55429	0.3
124.92410	0.4
143.22672	0.3
144.08098	30.1
145.02797	0.5
145.08852	0.8
148.40407	0.4
158.09663	0.9
159.10402	0.5
162.32130	0.4
163.03951	0.7
170.09653	100.0
171.10429	25.2
173.43530	0.3
187.12366	0.6
201.13890	4.1
202.14661	15.3
267.09192	0.4
301.19150	1.9
335.09088	0.6
364.20947	0.4
367.11624	0.7
429.14276	0.6
515.27576	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	515.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10868	0.4
55.05515	1.8
55.61132	0.3
69.03438	0.8
69.07064	0.4
70.06599	4.3
72.04513	2.5
72.08158	6.1
74.02456	0.4
83.04981	5.2
83.08613	0.6
84.08152	34.0
91.05501	0.7
93.07026	0.9
97.02863	0.4
98.06082	0.5
98.09690	0.7
100.10699	0.4
105.07066	0.6
107.08621	1.0
109.10181	0.5
111.04469	4.4
112.07628	0.8
113.12016	0.4
114.09177	33.2
115.08698	2.6
121.02880	0.4
121.10130	0.5
125.10758	0.6
126.09108	0.5
127.08660	2.9
130.06520	0.5
131.11804	1.0
133.10138	2.6
134.09618	0.9
136.90724	0.4
138.93214	0.4
139.03909	2.2
140.06792	0.4
142.56084	0.5
143.11809	41.6
144.08136	0.5
148.11223	1.8
150.12778	1.7
157.09737	1.0
157.13356	0.8
174.11496	0.5
186.09026	0.5
193.13432	4.0
196.11259	0.8
198.09212	0.6
204.17390	0.7
207.14864	0.6
222.18462	0.6
248.16685	0.4
258.20654	0.8
263.21204	4.6
273.45010	0.5
281.22214	2.2
299.23367	2.2
305.23502	0.7
383.49164	0.5
473.28784	3.5
498.17249	0.6
515.30811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36674	0.3
56.32604	0.3
57.06946	0.3
68.32175	0.3
69.03426	1.6
70.06596	3.4
72.04483	0.7
72.08167	3.3
81.03413	0.7
84.05640	5.5
84.08131	0.5
85.02874	1.9
98.07181	0.5
113.09479	0.4
114.09180	14.5
126.10320	0.5
127.03887	0.5
138.10178	0.6
152.05267	0.4
163.03893	0.5
169.09631	0.7
177.15894	0.4
178.13338	0.6
197.13989	34.5
211.35637	0.5
222.12311	0.7
240.13344	2.4
289.20346	0.5
291.21780	1.9
294.18060	0.8
307.21216	0.6
335.20822	9.3
337.22339	0.9
344.10172	0.4
353.21854	80.7
508.21509	0.5
515.27185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98949	2.3
55.05506	2.6
67.05507	4.4
69.03439	5.9
71.05006	5.6
71.82035	2.2
79.05510	4.9
81.07055	3.9
81.44603	2.4
83.04995	14.4
84.04504	5.0
85.02906	2.6
89.99865	2.4
91.05453	3.2
93.07037	16.5
95.04951	19.8
95.08622	6.1
97.06581	3.6
105.07036	53.7
107.08602	16.0
109.06545	32.9
109.10169	10.7
111.04455	36.5
113.06002	3.9
119.08596	17.3
120.08076	10.5
121.06518	12.6
121.10158	3.6
122.06115	2.5
122.09684	30.2
123.04446	5.2
123.08093	3.3
130.05009	4.8
131.08574	11.0
133.10139	12.2
135.08064	5.4
137.06004	3.5
137.09691	2.8
143.08577	11.1
145.10150	23.5
147.08067	25.2
149.09645	3.1
155.10609	3.3
157.10147	2.7
158.34485	2.3
159.08075	20.7
159.11717	21.0
159.65044	2.4
161.09596	31.5
165.09126	3.3
167.07091	27.6
169.10164	2.4
170.09644	16.0
171.08047	2.9
171.10359	3.0
173.13272	4.6
174.06805	2.5
175.03934	4.4
183.11714	4.6
186.09113	5.1
187.11150	10.8
189.09137	23.0
191.07062	4.4
196.08856	3.8
201.12807	14.1
205.13611	17.2
207.10185	21.2
213.05475	29.6
217.12186	3.2
229.12354	12.9
231.06644	9.2
233.12860	54.9
234.11182	17.0
247.13281	25.4
249.12303	4.4
249.14717	3.9
251.13879	31.0
265.14148	7.5
267.13300	3.4
275.07159	11.9
279.10147	3.0
292.07312	14.1
296.99265	2.6
302.05862	4.6
303.06567	40.5
304.07172	2.7
307.09677	10.6
320.06726	39.1
331.16437	3.4
335.09158	66.6
352.09525	3.6
367.11768	100.0
497.26462	33.6
515.27228	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16658	0.5
59.71541	0.6
72.08147	0.8
81.57626	0.6
98.06047	0.6
107.04943	0.8
115.08698	0.8
121.02849	0.8
131.04919	0.9
163.03900	1.1
167.07030	30.3
170.09659	1.5
177.05571	0.7
181.05048	0.9
187.07529	0.8
191.07042	3.0
201.05498	2.6
213.05470	32.4
219.08060	1.4
231.06497	6.8
246.06691	1.1
247.07536	4.1
251.10641	0.8
257.06082	1.6
260.04636	0.8
261.09137	1.2
263.06879	0.8
264.07813	4.1
265.08603	3.7
274.06265	3.5
275.07040	7.9
276.07861	0.8
277.04947	0.8
277.08511	1.2
279.10178	3.7
288.04385	1.0
289.08716	3.0
291.06619	0.9
291.09854	0.9
292.07294	11.1
293.08060	1.1
302.05826	6.0
303.06509	41.1
304.07419	4.6
305.04510	3.4
305.07849	0.9
306.08926	1.1
307.09668	13.7
309.07556	0.9
317.08005	4.4
320.06784	38.8
320.10541	1.4
324.09796	1.5
334.08102	0.9
335.09137	74.7
336.09915	1.5
339.12360	1.0
349.10797	1.2
352.09402	4.7
367.11771	100.0
383.37769	0.7
427.73181	0.7
498.21396	0.7
515.23901	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75125	0.5
56.30765	0.5
58.21101	0.5
63.18050	0.6
64.36808	0.6
69.03419	0.6
70.61062	0.7
71.63122	0.7
72.08149	1.5
80.88018	0.6
85.02898	0.7
105.06995	0.8
107.04929	0.6
114.09114	0.8
115.08717	0.8
131.04884	2.8
144.08109	1.0
162.05458	4.3
163.03871	2.8
167.07036	23.0
170.09645	4.8
181.04825	1.1
183.27754	0.7
191.07027	3.5
201.05463	1.3
213.05461	31.9
214.06335	1.2
219.08092	1.0
231.06456	3.7
247.07535	3.9
249.14944	0.8
257.05884	1.5
264.07727	3.1
265.08600	3.7
274.06146	3.2
275.07065	6.3
276.07819	1.3
279.10077	2.6
289.05051	1.1
289.08459	3.3
291.09976	0.8
292.07300	9.3
302.05701	2.9
303.06516	38.3
304.07407	6.1
305.04330	3.0
306.08713	1.5
307.09695	9.8
317.08026	3.5
320.06818	31.4
334.08298	1.0
335.09125	63.0
349.10593	0.8
352.09314	3.9
367.11758	100.0
426.20505	3.1
434.19775	6.4
455.21387	1.2
498.21048	1.4
515.23724	41.6
523.53345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11248	0.7
51.75007	0.8
53.38813	0.7
58.06607	14.1
59.07385	4.1
60.08181	6.7
67.05508	3.4
75.04486	1.0
79.05518	1.4
82.84014	0.9
84.08128	0.9
85.02905	1.2
87.04449	1.3
91.05490	0.8
93.07050	3.3
93.95809	0.8
95.08607	1.4
107.08543	1.0
144.10222	9.7
162.11234	1.3
170.42342	0.8
184.07433	1.1
210.93430	0.8
236.14931	100.0
478.35287	6.1
496.36334	65.2
514.37421	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	514.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73463	0.3
57.03437	1.4
58.06326	0.3
58.06606	7.3
59.07387	2.1
59.36121	0.2
60.08176	3.3
64.61454	0.2
67.05487	0.6
69.02827	0.2
73.31798	0.3
75.04474	1.1
79.05492	1.3
81.07050	1.7
85.02914	1.2
85.12085	0.2
87.04472	2.1
93.07050	0.4
95.08596	0.6
98.48454	0.3
103.03950	0.4
105.05519	0.4
105.07057	0.3
107.08588	0.6
109.10150	0.4
109.33265	0.3
113.06030	0.5
121.10157	0.4
131.07018	1.4
133.10109	0.3
135.11575	0.3
142.77394	0.3
144.10223	7.4
162.11249	3.2
218.14012	0.4
236.14932	100.0
266.96701	0.3
407.98816	0.3
434.36465	0.4
478.35263	4.6
493.56912	0.3
496.36325	51.2
514.37427	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	514.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03369	0.6
52.90785	0.7
54.19633	0.6
57.03448	1.0
58.06605	7.8
59.07389	1.5
60.08169	1.7
67.05495	0.8
67.16106	0.7
78.17802	0.7
79.05473	0.8
87.04468	2.9
91.05471	1.0
93.07041	0.8
94.87228	0.9
95.08592	1.1
100.92207	0.7
102.52851	0.8
124.51944	0.7
131.07104	1.0
139.05661	0.7
144.10188	9.4
162.11273	4.2
236.14931	100.0
478.34988	5.1
496.36392	59.0
496.42871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84056	0.2
58.06580	1.5
61.82440	0.2
72.76003	0.2
81.20182	0.2
151.42561	0.2
160.07574	35.5
161.08342	0.6
170.09665	1.8
174.09106	2.2
186.09146	100.0
187.09926	33.9
202.11009	1.4
203.11777	0.6
216.38208	0.3
217.13373	5.9
218.14140	21.4
255.70842	0.3
285.19678	0.6
384.23947	1.0
421.99606	0.3
514.30652	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16545	1.2
52.79312	1.1
54.81847	1.0
57.03425	1.7
58.06611	9.3
59.07375	1.6
59.18429	1.0
60.08160	2.8
61.52507	1.2
67.05514	2.7
70.36900	1.3
75.04449	1.7
75.37704	1.4
76.13338	1.5
80.55547	1.4
83.08615	1.6
100.11247	1.9
117.07016	1.5
144.10188	11.7
162.11296	3.0
190.67270	1.3
214.50873	1.3
231.71092	1.2
236.14914	100.0
237.15292	6.3
238.15492	5.2
386.85687	1.4
478.35391	5.5
485.39905	1.4
496.29294	2.6
496.36322	62.0
514.36707	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07617	0.4
57.03422	0.9
58.06609	9.6
59.07384	3.3
59.07605	0.4
60.08173	5.0
66.90420	0.4
67.05499	1.0
71.08606	0.6
75.04459	1.1
79.05481	0.6
81.07049	1.9
85.02885	1.8
87.04449	3.0
89.22509	0.4
93.07059	0.6
95.08591	0.9
100.11259	0.6
130.08698	0.5
131.06996	2.3
143.24091	0.6
144.10210	6.9
146.61021	0.5
162.11278	3.5
218.13844	0.6
236.14929	100.0
248.79874	0.5
423.32077	0.5
424.03073	0.5
425.44211	0.5
478.35080	0.9
496.36337	11.3
514.37433	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	1.4
61.15862	0.2
70.06586	0.3
70.81358	0.3
72.08148	0.3
75.40929	0.2
84.05635	0.4
88.58346	0.3
92.18465	0.5
127.68470	0.3
136.72079	0.3
141.74129	0.3
160.07571	36.7
161.08363	0.6
170.09607	1.5
174.09056	1.3
186.09138	100.0
187.09920	30.6
187.11238	0.6
200.30989	0.3
202.11064	0.7
203.11819	0.6
212.10500	0.3
217.13367	6.5
218.14133	18.2
384.23947	1.2
514.30646	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	514.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98619	0.4
53.33686	0.3
58.06604	1.0
59.13383	0.4
63.25193	0.4
72.08132	0.4
95.04842	0.6
97.74275	0.4
136.88170	0.4
160.07571	36.3
161.08356	0.9
161.89105	0.4
170.09627	3.3
174.09126	1.1
186.09148	100.0
187.09923	34.8
217.13368	5.2
218.14140	18.9
402.71060	0.5
514.29163	74.1
517.50714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35984	0.2
51.63971	0.3
52.13907	0.3
55.05527	2.6
58.82168	0.2
66.74043	0.3
70.06609	0.6
71.07371	1.8
72.08157	1.2
73.48701	0.2
75.28733	0.2
76.69357	0.3
81.87119	0.3
86.06079	1.7
86.09713	100.0
95.08601	0.3
103.05476	1.4
103.37925	0.3
105.07047	1.5
113.10786	1.3
120.08111	23.8
122.06002	0.3
133.73839	0.3
138.09070	0.4
141.10220	4.4
146.06009	1.1
148.07578	4.8
149.05965	0.3
149.64987	0.3
193.08650	0.6
198.14973	0.4
205.03419	0.3
209.08281	0.4
211.09756	1.2
223.04295	0.7
233.16492	0.3
267.06921	0.5
277.15555	2.0
284.10199	0.3
305.14868	0.6
327.09772	0.4
330.15625	0.4
355.20059	0.3
383.19907	1.3
384.59833	0.3
389.09644	0.4
390.23856	12.9
390.28754	0.5
428.14304	1.0
452.33560	0.3
499.16428	0.3
514.22516	0.5
514.29224	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	514.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76836	0.3
58.06578	0.9
61.11997	0.3
65.93835	0.3
70.06567	1.4
72.08142	0.5
74.02518	0.3
76.83526	0.4
81.07062	0.4
84.04520	0.4
84.05637	16.5
85.06414	0.6
86.09682	1.7
95.08633	1.2
98.07148	0.4
101.90028	0.4
109.10139	0.4
110.07178	1.4
110.29538	0.3
115.64819	0.4
119.08638	0.4
128.19621	0.4
130.06491	0.4
143.60825	0.4
144.08133	0.5
151.29144	0.3
152.10632	0.4
156.07735	0.5
160.07581	39.1
161.08299	0.5
165.09157	0.5
166.09448	0.5
170.09685	2.2
171.79158	0.4
174.09163	1.5
178.13373	0.9
186.09148	100.0
187.09929	30.5
202.11061	0.7
203.11725	0.6
214.15388	0.4
217.13354	4.1
218.14145	15.5
224.13948	10.7
229.88904	0.4
240.80928	0.4
250.15932	0.6
251.71587	0.4
365.19809	0.5
470.23962	11.3
514.23083	5.2
514.29254	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06124	0.5
58.06604	1.7
64.31523	0.4
69.03987	0.5
70.06601	5.2
72.08162	7.1
72.89725	0.4
73.12794	0.4
75.09257	0.5
84.08139	3.5
85.02866	0.5
86.09693	0.8
87.80247	0.4
89.10773	0.4
98.09677	0.6
99.84774	0.5
110.09680	1.9
112.11235	3.7
117.03364	1.0
129.13878	0.9
135.04437	3.3
137.05937	0.6
145.02863	4.5
155.11821	1.1
163.03902	89.6
165.05453	8.7
207.06534	0.9
220.09685	82.7
260.12708	0.8
264.12225	0.9
278.13934	6.5
291.17273	0.8
295.16708	0.7
305.18600	14.2
318.14911	2.5
334.21350	1.1
335.19565	6.5
352.22168	3.2
432.74899	0.5
496.25076	0.5
497.22836	0.5
514.25519	100.0
531.63214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42894	0.5
58.39088	0.4
59.24217	0.5
70.06595	25.4
72.07747	0.7
72.08155	13.2
84.08138	1.2
86.09708	1.0
87.72633	0.6
93.92441	0.5
110.09675	27.4
123.04424	8.2
127.12339	2.9
149.06001	0.9
163.03879	1.1
165.05437	9.5
175.10492	0.6
177.05444	3.7
205.04922	2.2
206.08142	3.5
207.06575	0.7
220.09654	0.9
221.09956	0.7
222.11270	1.0
234.07590	2.9
234.11235	9.6
236.12802	22.2
242.72913	0.6
262.10724	62.5
291.17017	29.1
313.96085	0.5
482.23309	0.8
514.25507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33065	0.4
59.26625	0.4
60.05626	0.4
67.05515	0.6
68.14373	0.3
70.06597	0.8
72.08150	2.2
81.03433	6.4
83.08636	2.9
83.96998	0.4
85.02910	0.5
86.09688	0.8
88.02205	0.5
91.05466	0.5
95.04964	2.5
102.09193	9.3
111.08109	0.6
115.08747	0.4
116.05316	1.4
119.08581	0.5
120.08109	1.6
132.68468	0.4
147.11650	1.3
151.27290	0.4
157.10083	0.5
160.04991	0.4
175.11191	2.4
187.04825	0.6
193.12244	7.7
196.97394	1.7
212.96791	0.4
239.04335	30.6
242.03067	2.4
266.13950	0.7
267.01370	1.1
267.03848	11.0
267.15878	2.8
268.04590	7.5
270.34476	0.5
281.02893	1.8
282.06210	0.9
285.17023	11.7
285.20071	0.8
296.04034	3.4
297.04834	0.5
299.33527	0.4
299.90250	0.4
309.02603	2.2
309.16861	0.5
310.05612	3.6
311.06348	0.4
338.04907	0.5
381.10571	9.0
382.11343	3.4
408.09125	0.5
410.10947	15.5
424.12491	41.7
426.10706	0.4
452.12112	5.6
454.09958	7.0
496.10742	2.4
514.11993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62078	0.9
53.62099	0.8
54.16220	0.9
54.78915	0.9
55.01881	1.0
55.64869	0.9
59.94915	1.0
70.06597	2.7
72.08154	2.3
84.08154	1.1
85.02907	6.8
91.05479	1.3
93.07042	2.2
95.04974	5.2
97.02903	2.1
98.06052	1.1
103.05469	6.6
107.04958	100.0
119.04921	6.1
120.05684	1.7
121.06497	24.0
123.04414	5.4
125.05966	1.9
131.04930	25.9
132.05713	27.3
133.06519	1.2
135.04460	7.7
137.05988	4.3
145.04955	1.9
149.05988	43.9
151.03902	10.5
159.08389	1.3
161.05952	2.1
167.03404	6.5
169.04959	2.3
169.88011	0.9
175.03854	1.1
181.04948	9.1
182.82617	1.1
183.08092	4.0
192.18753	1.1
193.04982	6.4
211.07553	4.5
225.04718	1.1
255.10147	2.1
269.08093	15.7
281.07999	2.4
287.09113	21.1
299.09146	39.0
317.10211	18.2
461.14621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06584	5.4
60.08173	53.0
66.40302	0.9
68.35345	1.1
69.07044	1.8
75.38651	1.1
82.06575	4.8
84.08124	1.8
85.02362	1.2
86.09698	15.9
97.06541	5.7
129.62190	1.0
131.33186	1.1
134.06033	2.3
135.06787	1.6
143.08562	2.2
150.09135	9.5
160.11272	1.1
183.08014	4.2
188.10646	1.5
200.10754	9.6
206.11890	1.7
243.11275	1.2
356.19620	1.2
513.34381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	4.9
58.06840	0.5
58.33847	0.4
59.07378	0.9
60.08171	47.6
69.07059	2.5
81.05779	1.1
82.06573	5.4
84.08137	3.2
86.09709	17.7
96.92407	0.5
97.06546	6.1
99.54061	0.5
102.55721	0.5
105.02893	0.5
107.04295	0.8
107.04956	10.9
107.88271	0.5
110.06029	0.5
113.10863	0.5
114.09204	1.0
121.02863	2.9
122.09669	0.6
128.06241	0.7
131.04903	0.7
133.06462	0.6
134.06013	5.4
135.06804	2.8
136.07520	1.2
141.10208	1.0
142.26950	0.5
143.08568	2.4
145.06531	0.6
150.09131	9.0
151.13657	0.5
157.06511	1.1
159.04326	1.0
159.10376	0.7
160.11191	2.3
162.06761	0.9
164.10637	0.9
173.09579	0.5
174.09143	0.8
178.12334	0.9
179.13066	2.5
183.08014	4.8
185.05971	2.9
188.10715	2.5
190.12221	0.6
195.14948	1.1
199.14371	2.1
200.10721	8.9
211.07579	1.1
217.13371	0.8
217.15451	0.6
228.10214	2.8
239.21278	0.6
240.10080	0.5
243.11301	1.0
261.09100	4.3
277.08636	1.2
279.10251	2.3
290.05713	0.8
297.11212	5.2
305.08121	2.9
313.19025	1.0
333.07547	5.0
341.18607	0.7
365.10138	3.7
453.20346	7.8
513.26221	3.6
513.34363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16530	0.3
58.06612	6.0
59.07380	1.7
60.08172	56.9
69.03420	0.5
69.07059	2.3
76.34909	0.4
81.05794	1.9
82.06593	6.5
84.08134	3.1
86.09709	20.1
89.01010	0.4
92.17833	0.4
95.04946	0.8
97.06527	7.7
110.06025	2.6
113.10741	0.4
114.09154	0.6
131.07452	0.5
134.06041	4.9
135.06792	3.7
136.07599	3.1
136.11125	0.4
141.10254	0.8
143.08556	2.9
146.06030	0.6
146.30759	0.4
148.07590	0.4
150.09138	9.6
150.12735	0.5
160.11218	3.8
162.05496	0.5
162.12796	0.5
164.10637	0.5
171.08047	0.7
173.09695	0.5
178.12221	0.8
179.13075	0.6
180.13821	0.9
183.08066	4.6
186.09145	0.6
188.10768	3.2
193.13403	0.7
195.14914	1.7
200.10710	9.7
206.11691	0.5
210.01299	0.4
210.09151	0.8
211.07568	1.7
217.13412	1.5
227.11917	0.5
228.10121	3.5
239.21172	1.8
243.11201	1.7
245.12924	1.5
251.97243	0.4
275.13742	0.4
285.19736	0.5
295.17975	0.5
296.16360	0.4
313.19162	1.7
356.19772	0.6
364.59109	0.4
374.98541	0.4
399.46350	0.4
407.22299	0.5
482.00732	0.5
485.35291	0.9
513.34363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	4.9
61.02945	7.3
67.05498	9.4
69.03434	5.4
69.07064	5.5
70.44299	4.2
79.05518	18.2
81.07058	32.7
85.02918	9.3
91.05490	9.3
93.07050	25.1
95.08618	11.3
105.07042	23.1
107.08598	25.0
109.10146	6.1
119.08604	21.7
121.10152	10.6
123.82423	5.0
131.08540	7.1
133.10146	30.0
135.11705	21.1
144.10193	6.3
145.10107	8.7
147.11717	23.6
149.13260	9.9
159.11678	8.7
161.13272	21.6
170.09689	9.1
173.13287	8.9
214.18109	17.6
224.89763	6.1
236.14935	56.3
237.15260	27.7
241.19595	6.0
259.20547	38.6
333.24228	6.3
351.25330	100.0
441.04495	5.9
495.35455	48.7
513.34088	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
66.25085	0.4
70.06587	2.2
72.04517	2.1
72.05639	0.7
72.08163	4.8
81.07053	1.9
81.38802	0.4
83.04991	4.9
84.08153	34.1
84.08668	1.1
90.57550	0.5
90.72714	0.5
103.97441	0.4
107.08588	0.5
109.10161	0.6
111.04456	4.6
112.07549	0.5
114.09173	33.4
115.08685	0.6
125.10755	0.7
127.08693	2.4
131.08618	0.8
139.03926	1.9
143.11809	61.2
148.11209	0.8
149.09630	0.8
157.09729	2.2
161.06018	0.7
167.07053	3.2
168.07375	1.1
173.12825	1.1
190.09326	0.6
202.15906	0.5
207.10124	0.8
207.23595	0.5
210.81845	0.5
224.81380	0.5
239.15042	2.6
261.19635	0.9
264.16037	0.5
321.22769	0.6
392.64532	0.6
413.20508	1.8
431.21603	1.7
471.26743	0.8
495.28107	0.7
496.26929	0.8
513.29224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2707
Annotation	Andrographiside
Peak:m/z	Relative Intensity
58.06597	1.3
62.21111	0.7
70.06590	1.5
72.08160	8.9
76.50369	0.7
84.08163	1.8
84.63201	0.6
95.08618	0.8
100.11210	0.9
105.07059	0.7
112.11262	4.2
123.04453	3.8
162.05493	44.0
163.03954	3.1
165.05507	5.2
171.53407	0.7
176.07156	2.8
203.08234	3.4
204.06561	16.4
236.12750	7.3
246.10083	1.7
261.12323	100.0
285.77625	0.7
293.18704	1.5
407.17715	0.7
495.25906	1.1
496.24762	0.9
513.27203	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
55.13385	0.3
59.29752	0.3
62.41275	0.3
70.06605	3.1
72.08162	26.5
72.08535	1.0
81.92612	0.3
84.08126	0.7
85.02888	0.5
89.10797	4.3
98.06066	4.3
104.23559	0.5
106.45712	0.4
115.08635	1.6
129.10193	0.7
130.04968	0.7
137.05965	0.6
147.07668	0.4
152.07047	0.6
161.05948	1.7
163.03821	0.4
177.05415	0.7
188.07018	1.6
189.05473	11.1
193.08527	0.4
206.11777	0.8
219.08012	1.4
223.07471	2.5
233.06000	0.7
237.09172	0.7
247.07507	1.6
250.06229	1.6
251.07036	11.7
261.05414	0.6
265.08597	8.7
277.05084	0.5
278.05826	3.7
279.06525	16.0
283.09650	1.9
293.08096	17.1
294.05219	0.7
296.06445	0.5
308.09418	0.5
309.07565	19.5
311.09140	83.2
312.08755	1.6
336.08661	0.8
337.07065	11.2
383.15933	0.5
425.17029	1.5
513.27136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51817	0.4
58.06599	1.1
59.28807	0.4
60.32699	0.5
70.06600	11.4
72.08163	6.1
84.08144	1.8
85.02920	0.5
98.09682	1.0
104.71547	0.5
109.02901	0.5
110.09682	0.5
112.11231	3.0
113.07139	3.0
114.09200	1.8
116.44672	0.4
122.06014	0.6
129.13879	0.6
142.21854	0.5
145.02863	0.8
148.07573	2.1
150.09145	2.1
155.11794	16.3
162.05582	0.6
163.03906	19.4
164.07040	4.0
166.08684	1.8
168.81955	0.5
172.14487	5.1
178.08685	0.7
188.07101	3.8
190.08627	0.7
206.08127	9.9
208.09753	2.8
219.08963	0.9
220.09694	48.8
233.12993	0.5
235.14365	0.7
247.14435	6.0
259.14539	0.7
265.15494	2.6
277.15533	2.3
278.18542	3.5
290.19000	0.5
291.17166	1.0
298.10672	0.5
300.12421	3.2
316.20316	0.6
326.10220	0.7
333.22803	6.2
333.26053	0.5
334.21307	3.7
351.23911	2.6
363.24185	0.6
400.18469	0.9
495.26038	1.7
496.24442	0.7
513.27185	100.0
527.84229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82138	0.4
52.41980	0.4
58.06602	0.6
62.29546	0.5
70.06599	12.2
72.08154	7.3
84.08155	2.5
89.50113	0.5
92.18391	0.9
92.47143	0.5
98.06061	0.6
98.09709	1.0
110.09664	1.1
112.11246	3.1
113.07120	2.3
114.09164	0.7
122.06062	0.5
124.59183	0.5
127.08739	0.6
148.07605	0.9
150.09167	2.1
155.11787	17.1
162.05467	0.7
163.03905	23.8
164.07013	5.0
166.08646	1.2
170.06044	0.5
172.14439	6.7
178.08574	0.6
188.07053	3.5
188.89137	0.6
190.08640	0.6
206.08142	10.2
208.09743	3.9
219.08986	0.7
219.11110	0.7
220.09691	50.9
233.12872	0.7
235.14459	0.5
247.14409	1.2
259.14468	0.8
260.09216	0.6
264.17172	0.6
277.15613	3.5
278.18701	3.9
289.15582	0.6
291.17191	0.7
298.10837	0.6
300.12418	5.0
316.20255	0.9
326.10254	0.6
333.22827	7.1
334.21274	5.1
351.24057	2.8
400.18994	0.8
428.21591	0.7
438.20313	1.0
441.44196	0.6
495.26306	2.3
496.24319	1.1
513.27167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70155	2.0
54.78386	2.0
60.08160	2.6
61.31410	3.1
61.37320	2.4
66.89291	2.7
69.20052	2.5
72.08157	2.9
76.23010	2.6
88.11253	3.8
102.91360	2.4
107.04959	100.0
121.02853	35.4
130.04964	3.0
133.06511	3.4
157.06435	5.0
159.04422	4.5
177.05524	4.2
185.05968	28.2
199.14330	8.5
200.12918	3.0
217.15518	6.0
228.82086	3.0
233.09656	4.6
245.38058	3.0
251.10646	10.0
261.09088	34.9
277.08533	14.3
279.10144	14.8
286.86276	2.8
287.06924	4.8
289.08606	5.4
290.05856	3.0
297.11218	44.5
305.08124	19.4
318.08942	10.9
333.07574	50.3
365.10031	19.6
427.13675	3.2
453.20114	53.1
513.25757	26.0
513.34308	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	513.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67788	1.0
55.05527	1.6
70.06586	5.2
72.08159	46.5
78.80699	1.1
84.04484	2.0
84.08159	2.0
89.10778	5.4
98.06033	1.7
104.39400	1.1
113.08412	1.3
114.09160	1.5
114.10300	4.2
123.04442	2.1
130.06552	2.2
132.04501	8.0
136.03984	1.5
137.07072	1.3
146.06010	9.1
146.90460	1.0
147.04422	1.5
157.07564	2.0
158.06003	22.6
163.03914	2.0
165.05482	1.9
173.07072	10.4
174.05478	1.8
175.08702	1.3
177.05438	1.5
183.07742	1.1
202.05006	8.5
209.73317	1.0
211.07130	11.5
212.07472	2.1
215.08160	4.3
219.07719	4.4
223.12198	1.2
236.12840	6.7
250.08553	1.2
252.06583	2.1
252.14644	4.1
253.15497	4.1
258.18338	1.3
261.08743	1.3
278.08206	5.6
292.09811	2.3
294.07626	2.2
319.10873	8.3
320.09195	15.4
347.10489	1.2
391.16522	2.3
391.33136	1.2
408.19162	1.2
495.17947	12.3
504.21906	1.7
513.23401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2086
Annotation	Talmapimod
Peak:m/z	Relative Intensity
53.03940	0.5
55.54150	0.4
56.80906	0.4
57.03445	0.7
58.05765	0.4
59.39517	0.4
60.31581	0.5
69.03436	5.9
70.06596	2.0
72.08174	3.8
73.02925	0.8
81.03430	4.8
84.08160	1.0
85.02908	7.6
87.00851	0.6
97.02899	3.2
99.04455	1.0
100.73154	0.6
104.16457	0.4
109.02880	5.6
114.10295	0.8
115.08736	0.5
127.03916	5.1
138.76431	0.5
145.04994	0.8
159.02859	0.7
161.10754	0.9
163.03949	2.2
172.09969	0.7
177.05447	1.1
189.13910	0.7
201.13892	7.0
203.15561	0.8
219.14923	1.2
229.13353	6.9
247.14407	100.0
265.15457	60.5
427.20532	0.6
469.21823	15.2
513.20691	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00592	1.2
58.06593	2.8
65.03952	2.2
67.05504	2.7
71.21921	1.3
82.77867	1.3
83.04987	1.8
86.09719	1.4
93.03408	1.8
93.32815	1.4
95.04954	9.7
111.04459	7.6
121.02900	17.1
128.17656	1.6
131.07312	37.4
132.08086	2.1
139.03900	7.9
139.11377	1.2
142.81468	1.3
144.08087	32.6
145.08867	15.6
157.08852	17.4
158.09656	1.6
170.09686	2.6
182.09636	17.7
183.10403	14.0
184.11246	25.3
191.03397	2.0
194.09642	1.9
195.10466	3.1
196.11328	2.9
197.08363	29.8
198.12675	1.8
209.04451	5.0
210.12793	34.2
211.09816	6.0
212.10716	96.5
226.12352	2.7
228.10164	5.4
229.10988	10.9
230.11766	40.5
238.12305	6.2
240.10289	2.8
242.11774	3.1
243.12575	8.2
244.13303	1.9
255.12575	6.8
256.13339	80.0
332.12961	5.6
350.13565	1.5
438.15540	5.5
445.69226	1.4
456.16452	25.7
482.18063	24.1
513.22333	100.0
521.17914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57596	0.7
55.01876	1.2
55.05522	1.1
61.90877	0.7
63.29109	0.7
63.78158	0.7
67.05501	3.7
69.03432	7.4
69.07064	0.9
71.04962	1.7
72.08135	1.3
73.02904	1.0
81.03429	5.9
81.07046	3.7
83.04970	1.2
85.02911	19.0
87.00825	6.4
89.22480	0.8
91.05508	1.2
93.07036	5.1
95.04975	8.1
95.08620	5.8
97.02889	6.6
99.04420	6.0
105.01864	4.6
105.07030	5.7
107.08596	8.0
109.02898	8.7
111.04446	3.3
111.08078	1.0
119.08581	13.6
121.02859	4.7
121.06483	1.2
121.10130	1.5
123.08071	4.8
127.03920	14.4
131.07312	12.6
131.08556	7.2
133.10117	7.8
135.08061	5.8
137.05971	1.9
137.09557	1.3
139.03934	1.7
144.08118	13.8
144.09232	1.5
145.04935	1.8
145.06479	1.1
145.08873	6.4
145.10107	6.0
147.08084	4.2
149.09595	1.6
157.08879	6.3
157.10075	1.6
158.09622	1.3
158.10849	0.9
159.02933	2.1
159.08057	4.0
159.11678	19.7
161.09634	1.4
161.13216	1.0
163.03984	0.9
163.07550	11.7
165.09102	11.8
170.09656	4.6
171.11661	2.1
173.09767	1.7
173.13243	24.6
173.14679	1.0
175.07556	4.4
182.09621	4.8
183.10410	4.6
183.11804	1.4
184.11235	7.7
186.09044	1.0
187.11176	7.1
189.12770	1.4
194.09602	1.1
195.10379	1.0
196.11263	1.1
197.08359	8.9
198.12772	1.8
201.12730	8.3
205.12247	8.1
209.04564	1.2
210.12790	11.1
211.09830	3.8
212.10707	34.0
217.12242	1.7
219.13766	8.9
226.12462	1.0
229.10933	4.1
230.11790	12.5
231.05096	1.7
235.13258	2.1
238.12341	1.7
243.12521	1.9
247.13219	4.3
255.12589	1.8
256.13315	28.3
265.14340	100.0
332.12961	1.0
367.08035	1.9
454.15427	1.1
456.16638	8.7
470.18655	1.0
482.18152	6.3
513.22278	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	513.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.3
69.03410	1.8
69.69944	1.2
81.11079	1.1
105.07038	1.9
107.04984	2.2
107.08641	1.5
113.10736	1.6
114.09169	7.2
116.63287	1.4
120.73274	1.2
131.05025	1.6
145.10083	1.7
153.05574	1.5
156.11382	2.2
157.10162	1.5
167.07048	15.6
171.06541	8.0
177.05441	1.3
181.04964	100.0
183.08081	4.9
211.07608	5.4
213.05618	1.4
238.06306	1.8
239.07106	7.5
256.07339	5.9
266.05780	2.7
267.06613	2.8
271.09744	8.4
273.07877	1.7
283.06262	1.7
284.06827	8.5
288.10049	1.9
298.08435	1.6
299.09155	32.7
299.12387	1.8
301.07117	9.1
309.07886	1.4
316.09476	8.4
326.07913	2.7
327.08743	4.8
329.06598	2.4
331.11774	37.5
344.08853	5.1
359.11288	48.3
513.17609	61.4
513.24493	4.0
513.29071	1.7
513.39783	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03048	1.9
55.05507	1.6
55.23667	1.7
57.07085	56.6
58.06593	8.6
69.07051	9.1
71.08270	2.7
71.08631	45.3
73.06530	2.3
77.75563	1.5
80.54085	1.7
83.08608	2.5
85.10191	28.1
87.04480	2.7
89.06032	98.7
96.88983	1.6
111.11713	2.9
117.09091	2.6
118.51553	1.9
133.08611	28.4
140.11465	1.8
144.10213	3.3
177.11217	12.4
221.13806	3.2
236.14922	56.0
283.17740	2.0
301.27451	3.6
327.20135	13.5
332.49597	1.7
407.34070	1.8
448.74316	1.9
494.38766	2.2
495.38849	100.0
512.40820	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	51.7
57.80223	1.1
60.37775	1.0
63.20919	1.3
63.90865	1.2
69.07077	4.7
71.08638	39.4
72.97250	1.2
73.06551	4.7
81.07042	1.5
83.08623	2.7
85.09702	2.0
85.10187	29.4
87.04458	2.6
89.06039	100.0
95.08645	1.7
95.92709	1.3
97.10188	2.1
102.74579	1.3
106.82629	1.4
107.07058	1.3
111.11742	1.3
124.22395	1.5
133.08611	39.2
164.55379	1.6
169.19518	1.4
177.11215	9.7
177.23390	1.3
207.95937	1.2
221.13838	1.3
236.15302	1.2
252.19617	1.2
257.24823	6.2
301.27402	6.3
313.27365	2.1
327.20221	18.4
451.36591	1.5
495.38962	85.5
512.33789	1.8
512.41541	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	7.4
57.64454	4.1
60.67338	3.9
64.86115	4.1
71.08630	9.8
85.10168	8.9
89.06042	100.0
90.08170	5.2
133.08647	40.6
137.46870	4.2
139.68973	3.7
144.11479	4.8
160.17056	3.9
164.10162	4.2
200.52808	4.4
236.14972	6.2
327.20200	78.9
495.38928	21.3
512.34491	5.3
512.41492	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	512.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55854	0.5
55.05506	0.7
55.28881	0.5
56.17166	0.4
57.03443	1.3
58.06611	15.8
59.07384	4.1
60.08164	7.2
67.05505	2.8
69.07067	0.7
73.02863	0.5
75.04482	1.2
79.05484	1.3
81.07057	3.8
83.08633	0.6
84.08120	0.9
85.02914	1.3
87.04461	2.9
91.05490	1.1
92.17790	0.6
93.07039	2.7
94.54742	0.5
95.08605	0.9
96.99568	0.5
97.06512	1.1
100.11230	0.7
105.07028	1.0
107.08617	0.7
109.10177	0.6
113.06027	1.1
131.07031	1.3
135.08141	0.5
140.47411	0.5
144.10201	14.3
162.11230	2.5
187.04233	0.6
218.27625	0.6
236.14917	100.0
290.15964	1.1
412.26904	9.8
494.34717	7.5
494.92325	0.8
508.54974	0.6
512.35864	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59482	0.4
52.04142	0.3
57.03416	2.1
58.06606	11.0
58.07022	0.4
59.07368	2.5
60.08174	5.0
67.05492	0.7
69.07072	0.7
73.02919	0.4
75.04475	2.2
75.44676	0.4
79.05481	0.6
81.07046	1.7
85.02891	1.6
87.04453	2.9
93.07076	0.5
95.08591	0.8
114.15737	0.4
122.98527	0.5
125.49882	0.4
131.07010	1.6
144.10219	7.2
162.11256	4.8
166.98163	0.4
203.11873	0.4
218.13919	0.9
236.14920	100.0
293.20322	0.4
297.21533	0.4
318.22565	0.6
320.89996	0.4
412.26941	20.8
479.09625	0.4
494.34802	7.4
512.35846	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	512.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83353	1.9
57.12740	2.6
58.06599	17.5
59.07404	4.7
60.08175	3.6
65.90334	2.4
71.08643	4.7
80.54382	2.4
91.60018	2.4
96.62521	2.4
98.98501	4.3
105.05591	3.1
130.67924	2.7
135.06219	2.4
137.09946	2.9
144.10178	11.7
169.38977	2.7
236.14912	100.0
416.98209	2.7
494.35074	5.3
512.35889	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	512.359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57767	0.3
55.57904	0.4
57.03418	2.3
57.74011	0.4
58.06610	12.0
59.07385	5.6
60.08181	6.2
63.99364	0.4
67.05482	2.1
69.07061	0.8
75.04459	2.1
76.26646	0.5
79.05473	2.0
81.07034	2.1
82.16928	0.5
84.08137	0.7
85.02885	1.1
87.04433	2.1
91.05477	1.0
93.07021	1.9
95.08587	0.5
97.06497	0.7
105.05515	0.5
105.07019	0.8
107.08570	0.7
113.05996	0.7
119.08579	0.7
121.06546	0.5
130.08655	0.5
131.07027	2.0
144.10208	9.9
162.11288	4.9
165.81395	0.4
170.54163	0.4
218.13882	1.1
236.14931	100.0
245.64201	0.5
290.15881	0.8
394.20013	0.6
412.26944	13.6
419.17206	0.5
450.36078	0.6
494.34863	5.9
512.35864	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
58.06613	9.1
58.87732	0.8
59.07386	1.4
60.08167	4.9
71.08624	0.9
73.85876	0.7
75.04469	1.3
86.09718	0.9
87.04462	0.9
92.17807	1.6
95.08591	0.9
104.10737	1.4
104.42020	0.9
107.08615	0.9
131.07065	1.0
141.73149	0.8
144.10202	7.5
162.11246	6.3
184.07324	3.6
236.14938	100.0
494.35001	3.9
512.35895	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84249	1.0
61.90797	1.0
86.67297	1.0
107.04959	1.8
118.73352	1.1
144.08101	26.2
147.07010	1.1
170.09650	100.0
171.10445	26.1
180.30940	1.1
201.13942	9.0
202.14673	22.3
210.62920	1.0
296.10049	2.1
368.24588	1.6
512.32776	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
57.59613	1.2
60.08171	13.5
86.09708	30.4
92.78171	1.4
104.10754	99.3
108.42873	1.4
117.05509	3.1
125.00023	21.0
184.07347	100.0
352.17773	1.6
476.31171	1.6
512.33563	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73125	2.1
52.17336	2.3
56.69880	2.9
60.04292	3.2
60.04534	50.7
67.05486	2.7
81.07061	6.0
85.02909	13.6
87.07994	3.0
91.02794	3.2
95.08609	5.7
116.06073	2.7
135.11688	3.3
137.06070	3.5
138.44052	3.0
170.09587	5.4
171.09949	4.8
202.14648	3.6
205.79068	3.2
278.24738	6.9
296.25684	4.9
314.26923	5.5
332.27979	12.8
333.64908	3.3
350.28952	21.9
406.81183	3.0
512.27362	6.4
512.34320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	9.8
67.09009	6.3
75.30067	5.1
81.83356	5.2
83.07806	5.5
92.17809	9.6
97.78194	6.2
107.04180	5.6
140.51279	5.8
144.10202	5.8
145.41536	5.2
233.52014	6.0
236.14932	100.0
269.99625	5.9
272.60126	6.1
345.47241	5.6
385.40536	6.2
410.10651	5.6
469.51382	5.8
512.36029	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	2.8
68.97884	0.3
69.07067	0.7
70.06590	1.6
71.07379	1.1
72.08191	0.4
79.05496	0.3
81.03423	0.3
81.07068	1.3
85.02926	0.6
86.09715	100.0
93.07066	0.3
97.02888	0.4
103.05478	0.4
105.07049	1.4
107.08622	0.4
109.02911	0.3
109.06538	0.5
109.10150	0.4
113.10735	0.4
120.08112	17.8
120.73782	0.3
121.10137	0.4
123.11668	0.4
131.08688	0.3
133.10129	0.3
140.07133	0.4
141.10252	2.5
144.08116	1.5
146.06070	0.3
148.07582	4.2
163.07579	0.3
167.07173	0.3
200.76822	0.3
229.12260	0.7
233.16643	0.5
259.14441	0.5
277.15643	0.6
293.23212	0.4
305.15091	0.5
311.60492	0.3
322.71863	0.3
353.18668	0.5
381.18301	1.3
390.23779	5.2
453.04639	0.3
484.34885	0.3
512.27686	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	512.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
59.24361	0.4
59.51125	0.4
65.03936	1.0
69.03424	2.4
72.79574	0.4
81.03442	0.7
83.04964	0.7
85.02909	9.9
88.98335	0.4
93.03396	0.5
97.02899	3.8
99.04414	0.5
106.09302	0.5
111.04441	9.5
112.05054	1.1
120.87010	0.4
123.81656	0.5
127.03919	2.9
139.03914	75.1
145.04941	2.3
150.18573	0.4
154.45439	0.4
163.06068	0.5
171.06525	100.0
180.08635	0.7
229.97139	0.4
237.07837	0.6
297.09784	1.1
333.11768	3.3
503.45346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80944	0.2
55.01888	0.5
57.03439	0.4
61.02938	1.2
61.45890	0.3
65.03949	0.6
69.03443	2.1
73.02924	0.6
81.03415	1.4
83.04998	0.6
85.02907	17.8
85.03428	0.6
91.03957	1.2
93.03405	0.7
97.02905	4.3
97.61734	0.3
97.72324	0.3
98.22595	0.3
99.04455	0.6
103.03926	0.3
109.02891	1.6
111.04447	11.6
114.93212	0.3
121.04002	0.4
127.03925	4.4
139.03909	78.6
145.04956	4.5
163.03879	1.3
163.06001	1.4
169.32498	0.3
171.06520	100.0
183.06483	0.5
195.06548	0.6
205.04977	0.5
207.06560	0.6
213.07538	0.4
237.07468	1.5
279.08530	0.6
297.09637	3.8
333.11893	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	512.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.5
68.64262	0.4
87.56371	0.4
91.05476	2.3
94.06699	0.4
96.04256	0.3
103.05466	0.8
104.66050	0.4
105.07037	10.2
107.04980	0.7
107.08524	0.4
109.06518	0.8
118.04180	2.0
119.04939	4.4
121.76958	0.4
123.08056	1.6
124.05191	0.4
129.40192	0.4
131.04936	1.4
133.02835	0.4
133.06494	13.7
135.08052	1.6
137.05992	7.1
147.04411	5.1
149.00523	0.6
149.05991	0.8
150.06798	6.1
151.07530	5.3
152.08336	0.6
161.05971	3.4
163.07530	2.1
165.09122	12.0
167.07034	10.0
178.06329	0.8
179.07025	5.4
181.08629	0.5
193.03209	7.6
193.08609	82.2
211.09656	100.0
265.07846	0.4
269.47195	0.4
282.07907	0.7
300.08987	0.6
309.93198	0.4
313.58701	0.5
341.13742	2.0
373.16577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66163	1.1
60.41138	1.3
62.41558	1.4
64.26740	1.1
64.78341	1.0
64.83497	1.1
76.11145	1.3
91.05466	5.7
93.03368	5.5
93.07048	1.4
95.04955	1.9
103.05462	6.0
105.07012	1.8
106.04160	2.8
107.04959	15.9
117.24341	1.3
119.04967	2.7
121.06516	11.7
125.05966	3.1
129.06969	1.6
131.04942	9.0
131.08580	3.3
133.06541	2.2
135.08072	2.5
137.05974	6.1
148.05220	2.7
148.75145	1.4
149.05978	26.0
151.07541	5.6
153.09097	5.7
157.06502	3.0
161.05978	92.2
161.09598	27.3
163.03891	1.7
163.07533	43.0
167.07042	43.7
174.06789	2.7
175.07535	8.8
177.05412	11.5
179.07068	6.0
180.07809	10.5
181.08604	27.4
181.53821	1.7
188.10475	1.5
189.09106	96.3
191.07048	23.6
192.07755	12.2
193.08569	1.4
207.10172	100.0
209.08118	27.1
219.08099	1.8
219.10190	5.4
223.04189	7.4
231.65089	1.3
257.11606	1.9
267.73337	1.5
285.11172	2.5
315.12308	2.8
317.13824	1.8
343.15439	9.2
355.21133	1.6
361.16418	57.0
373.16376	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71756	2.8
53.03927	2.4
58.34684	2.8
59.23716	3.1
63.46170	3.5
70.06596	35.4
72.08157	31.0
84.08157	76.5
85.02901	5.5
86.09715	5.7
93.07011	3.5
95.08623	5.9
103.05473	4.3
105.07031	6.8
106.04213	6.1
107.04948	20.1
112.07599	3.9
114.09164	5.0
119.08586	4.1
121.06509	13.7
123.04429	13.2
125.05948	4.8
125.09852	2.9
129.06975	3.9
129.10228	4.1
131.04984	7.4
135.04396	3.6
135.08080	4.6
137.06003	6.2
144.10207	14.7
149.05969	24.1
151.07562	5.7
157.06444	4.4
161.05988	97.9
161.09575	31.4
163.03929	42.6
163.07588	38.8
165.05486	5.4
167.07028	44.4
172.44972	3.0
177.05464	15.8
179.07083	5.2
180.07806	5.7
181.08597	27.1
189.09120	100.0
191.07033	26.3
192.07933	12.0
193.05016	4.6
193.08632	7.2
207.10194	97.9
209.08098	27.0
220.09721	5.7
222.11418	5.0
223.04277	6.7
247.09431	3.5
317.13474	3.1
343.15381	4.5
361.16544	62.9
373.16559	6.3
511.74796	5.8
512.20807	4.8
512.28046	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50921	0.9
66.08585	1.0
70.06572	1.5
79.05523	1.4
83.91622	1.1
84.08128	1.9
91.05464	4.4
93.03407	5.2
93.07044	2.6
95.04952	1.0
100.65738	1.0
102.19294	1.0
103.05462	6.6
105.07049	4.0
106.04163	4.2
107.04957	19.6
119.04928	1.5
121.06515	13.1
125.05992	1.5
129.07043	4.6
131.04933	10.5
132.05782	1.7
133.06502	1.7
135.08055	4.4
137.05991	5.3
148.05186	2.1
149.05986	21.2
151.07562	7.9
153.05551	1.1
153.09163	4.3
157.06499	4.2
160.05243	2.3
161.05972	100.0
161.09601	26.2
161.10872	1.5
163.03937	1.5
163.07535	42.5
163.33678	1.0
167.07030	40.2
174.06766	2.0
175.07625	8.5
177.05466	16.7
179.07051	6.0
180.07770	10.0
181.08601	26.4
189.09105	85.5
191.07048	19.4
192.07805	12.9
193.08585	2.1
207.10156	87.4
209.08105	24.4
217.66125	1.1
219.10100	7.5
223.04211	10.7
225.09030	1.3
234.11241	1.2
273.14493	1.3
275.46463	1.0
283.09717	1.2
285.11142	4.2
285.30576	1.0
306.62689	1.0
312.09036	1.1
317.13885	4.1
329.13916	1.5
341.13718	1.8
343.15244	9.3
361.16437	47.5
361.20840	2.0
373.16473	8.5
404.18723	1.3
406.09515	1.1
512.29620	1.5
527.47510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28518	0.8
70.06597	3.9
72.08150	2.1
75.04504	0.9
75.94346	1.0
79.05507	1.7
84.08140	1.3
85.02910	1.0
86.09707	1.9
91.05456	3.7
93.03410	2.2
93.07027	3.6
95.04964	2.0
97.06528	1.1
103.05484	6.0
105.07030	3.7
106.04165	5.2
107.04961	14.8
114.10335	1.0
117.07003	1.2
119.04942	1.9
121.06516	11.4
125.06061	1.0
129.06984	4.2
131.04927	11.2
131.08548	1.2
132.05702	4.2
133.06531	1.4
135.08035	5.4
137.05997	6.0
148.05167	3.3
149.05998	18.7
151.03929	1.5
151.07561	3.4
153.05534	1.8
153.09106	5.2
157.06511	5.2
159.08066	0.9
161.05975	100.0
161.09598	24.6
163.03889	4.8
163.07539	38.7
163.08902	1.3
165.05501	1.4
166.06213	1.5
167.07028	36.1
167.08406	1.6
173.05916	1.2
174.06808	1.8
175.07591	6.6
176.04695	1.1
177.05467	13.5
177.09065	1.1
179.07051	3.3
180.07805	9.6
181.08591	26.8
189.09111	84.9
191.07037	22.8
192.07834	13.5
193.08638	3.4
207.10173	88.3
209.08057	19.8
219.10165	5.1
223.04218	7.5
225.09105	1.9
251.10785	1.6
253.08582	1.7
257.11612	2.0
283.09958	1.1
285.11322	1.6
299.12842	1.1
307.17188	0.9
315.12390	1.8
317.13879	4.3
327.12073	1.3
329.13986	1.7
341.13879	4.8
343.15439	6.5
346.48749	1.2
361.16449	52.1
373.16498	8.8
391.17230	1.7
428.47144	1.0
512.21039	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	511.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03669	0.2
55.05523	2.5
69.07058	0.5
70.06593	1.2
71.07381	1.5
72.08164	1.6
81.03461	0.2
84.08179	0.2
85.02952	0.2
86.09714	100.0
93.07057	0.2
96.08089	0.7
97.06502	0.3
99.05611	0.2
105.07050	0.9
111.08101	1.3
112.08407	0.2
113.10774	1.1
114.09161	2.6
115.09505	0.8
118.06575	0.4
120.08122	5.7
120.14158	0.2
121.06563	0.3
129.10251	3.2
141.10233	4.5
146.06021	4.7
148.07603	2.9
149.06027	1.3
151.07504	2.5
155.14359	1.1
156.14729	0.4
157.09702	2.1
167.07050	1.7
174.05589	1.2
177.05505	1.0
181.08650	1.0
183.13889	1.3
184.14206	0.8
188.14444	0.3
202.15062	0.2
203.15512	0.8
209.08110	3.7
212.16643	0.3
219.15118	0.3
220.71465	0.2
228.16594	0.2
229.16393	0.3
231.14998	0.9
233.16556	0.5
235.09779	0.5
247.66641	0.2
253.10638	2.3
255.08569	0.2
259.14429	5.0
287.14008	0.4
299.11118	0.3
304.16641	1.2
335.22128	0.2
353.18759	0.5
372.22858	4.0
381.18115	2.4
389.25488	6.7
494.26944	0.9
501.88849	0.3
510.89008	2.3
511.23447	0.4
511.29709	7.4
511.39090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.288
Annotation	Leukotriene D4 methyl ester
Peak:m/z	Relative Intensity
60.73743	0.4
69.07077	0.4
81.07079	0.4
83.05073	0.4
84.08037	0.3
92.17748	0.5
105.24176	0.5
185.04153	0.7
356.79517	0.5
384.68445	0.4
386.63840	0.5
511.28763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45740	1.4
55.15137	1.3
59.40849	1.6
62.94930	1.5
63.58534	1.3
78.23412	1.6
81.07069	1.7
102.72167	1.5
106.67944	1.5
123.35200	1.9
130.23413	1.6
147.47040	1.8
164.95569	2.0
374.90131	1.9
483.32800	2.1
511.28708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13490	0.2
57.03441	1.5
61.02944	0.2
67.05508	0.5
69.71639	0.2
81.07086	0.6
89.03915	1.1
92.17767	0.2
95.08602	0.5
117.03377	5.5
117.05495	7.4
118.50519	0.2
131.49936	0.2
134.03671	0.3
145.02855	47.1
149.06007	2.0
177.05473	100.0
186.05534	0.4
251.09187	1.9
287.52264	0.2
290.40646	0.3
293.10193	0.9
299.22104	2.3
377.23291	4.1
443.88068	0.3
475.26993	3.2
493.28009	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	511.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28521	0.4
56.70821	0.4
58.06615	1.1
59.83911	0.4
61.51854	0.5
65.29564	0.5
70.06593	1.2
70.82146	0.5
72.08165	9.0
77.05122	0.5
77.20509	0.5
83.79974	0.5
84.08154	3.7
89.03957	0.5
106.41928	0.5
110.09614	0.5
112.11256	6.9
117.03330	0.6
121.78378	0.4
129.13893	2.4
135.04398	0.9
139.71356	0.6
145.02870	3.6
153.64398	0.6
155.11795	1.1
162.05504	11.5
163.03906	83.0
167.07166	0.5
176.07004	0.7
191.07137	0.6
201.53543	0.5
203.08414	0.5
204.06638	4.9
206.11679	0.5
219.11359	0.6
220.09694	91.0
221.08171	2.1
222.08444	0.5
242.10750	0.5
261.12369	4.5
275.13922	12.9
292.16656	2.0
293.98691	0.5
304.16638	0.6
332.19681	9.4
349.22488	15.9
406.17899	0.8
493.24704	0.6
511.25580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
59.11304	0.7
82.79687	0.7
84.04535	0.9
89.68577	0.8
95.47292	0.8
97.65191	0.8
103.13839	0.7
107.04961	33.0
114.05462	0.8
120.05771	1.0
121.02905	1.1
131.04942	11.8
132.05710	18.5
143.04794	1.0
163.75925	0.8
171.04401	7.0
171.14888	3.1
183.04396	3.2
184.05067	1.0
186.09190	1.1
188.24199	0.8
191.08641	0.8
193.10223	0.8
199.14432	12.0
203.08565	3.1
206.07219	0.9
207.08069	3.7
219.08089	8.8
221.09598	18.1
223.07629	0.9
231.08044	35.6
232.09007	0.8
234.06718	1.7
235.07521	16.4
237.09106	7.4
247.07550	8.5
249.09103	34.3
249.11719	1.3
250.83601	0.8
256.01929	0.9
259.07532	25.0
262.06351	1.1
265.08618	18.7
277.08600	51.1
295.09659	100.0
397.39444	0.9
511.24152	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	511.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83210	0.5
53.23140	0.5
54.60997	0.5
56.45790	0.5
58.21404	0.5
70.06616	1.5
70.33005	0.6
72.07806	1.0
72.08167	19.0
75.36019	0.6
84.04486	1.0
89.10787	3.6
92.25311	0.7
103.73669	0.7
113.07354	0.7
130.06534	1.3
132.04349	1.0
133.20757	0.6
138.11305	0.7
146.06017	8.0
157.07622	2.5
158.06006	16.0
163.03949	2.3
173.07101	7.6
174.05505	1.1
175.08720	2.3
190.05081	1.0
196.91316	0.6
201.06670	2.7
202.03380	0.8
202.04901	4.9
212.73140	0.6
215.08205	1.2
219.07698	2.8
242.04510	0.8
248.07011	0.7
250.08731	0.9
252.06526	1.1
262.08722	1.1
264.06458	0.7
266.08066	2.1
272.07108	0.9
274.08627	1.0
276.06668	2.4
284.24924	0.7
290.08038	7.4
292.06039	12.9
292.09067	1.1
293.09222	3.2
294.07596	10.1
300.06601	4.7
302.08066	2.1
317.09418	4.2
318.07635	62.2
328.06308	0.9
335.10245	13.4
339.09726	5.2
346.07266	3.4
363.09796	4.0
381.10806	11.4
493.20862	3.7
494.19342	1.3
511.21924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87003	0.6
70.06582	1.0
72.07800	1.0
72.08165	18.4
79.56629	0.6
80.71331	0.5
89.10770	4.8
110.32717	0.6
115.08716	0.6
130.04953	0.7
130.06494	1.1
132.04453	0.8
146.06017	7.4
157.07529	0.8
158.06012	16.3
163.03973	0.8
173.07143	6.1
174.05528	0.9
175.08633	3.1
177.85440	0.6
190.05000	2.4
201.06653	1.4
202.04967	5.2
215.08194	1.2
219.07669	1.2
242.04489	2.5
251.13808	0.8
252.06609	0.8
262.08514	0.9
264.06555	0.8
266.08038	2.6
272.07059	1.5
274.08508	1.2
276.06607	2.5
288.04922	2.8
290.08014	11.2
292.06049	13.7
292.09232	1.1
293.09341	2.1
294.07553	5.3
300.06537	4.9
302.08157	3.0
307.10794	1.3
317.09363	7.2
318.07614	58.9
335.10287	15.9
339.09760	4.7
345.08780	4.7
346.06943	7.0
363.09723	4.2
381.10938	6.3
388.16602	1.1
389.14917	0.9
405.10797	0.8
406.17554	0.8
487.15454	0.9
493.20886	1.0
494.19211	1.4
511.21878	100.0
513.86676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88050	0.6
55.01881	1.5
65.06136	0.7
72.08164	12.4
83.26313	0.8
83.58031	0.8
87.46571	0.9
89.10795	4.2
93.37355	0.8
98.76598	0.8
99.51733	0.9
103.27620	0.8
107.86677	0.8
119.65549	0.8
121.85673	0.9
132.04451	1.8
133.02850	3.9
135.04436	4.0
137.05978	1.1
139.03853	1.2
141.05449	3.5
145.02850	5.4
146.06006	3.2
149.05949	1.2
156.79532	0.9
157.05217	1.9
158.05991	0.8
161.05969	1.1
163.03899	62.1
166.27866	0.8
169.04962	6.6
177.05449	5.5
178.05794	3.6
178.09441	1.0
186.09102	1.6
191.07060	6.1
192.07368	4.5
209.08156	1.8
210.08369	1.7
248.07149	3.6
262.08673	3.5
266.08200	1.5
272.07040	8.7
273.10336	1.2
274.08652	2.0
274.66306	0.9
276.06586	5.1
288.05148	1.3
289.09772	1.4
290.08105	41.4
292.06067	1.2
294.07620	3.8
300.06583	11.5
302.07935	0.8
317.09283	10.2
318.07632	100.0
319.10770	9.9
331.08063	18.1
335.10233	23.0
336.08588	1.0
342.14334	1.3
345.08765	5.4
363.09760	18.2
381.10788	1.4
389.86157	0.9
405.10678	6.0
423.11993	12.1
463.16635	1.4
493.20728	1.1
511.21890	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12147	0.4
53.38305	0.3
55.05753	0.4
70.06589	1.6
72.08162	11.2
80.04982	0.6
82.06580	4.4
84.04509	11.0
84.08143	0.9
86.09718	0.5
88.03972	2.7
89.10783	3.3
96.04504	2.3
98.06019	0.7
100.03982	0.5
108.04472	2.2
110.06040	7.5
115.08733	0.6
115.38671	0.4
122.02633	0.4
122.05997	0.8
124.03946	8.8
126.05536	5.6
128.03424	1.5
136.03938	7.3
137.07106	12.5
139.08679	2.9
145.06099	1.0
154.04955	0.5
163.03969	0.6
165.06619	5.5
182.82494	0.5
183.07660	9.4
185.57471	0.5
193.06068	2.3
195.01073	1.0
211.07135	100.0
218.02657	0.9
219.01108	0.8
221.42709	0.5
229.08224	0.6
237.02150	0.5
265.10059	0.7
266.08441	1.0
349.09024	0.9
493.17502	81.9
502.21411	1.0
511.13751	2.1
511.20575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92360	0.9
55.05508	5.7
55.91114	1.0
57.03440	4.8
57.07086	51.1
61.02922	2.3
63.40496	1.1
65.22711	1.0
66.07639	1.0
67.05517	9.2
69.07074	10.3
71.08638	43.0
73.84797	1.1
81.07070	22.4
83.08627	18.4
85.02907	2.2
85.10188	29.4
86.09711	4.2
89.06025	1.4
95.08612	35.2
97.10175	11.7
99.11769	1.5
104.10753	10.8
109.10145	19.5
111.11725	1.9
123.11710	9.5
123.72338	1.1
125.00013	1.3
125.84254	1.0
132.87115	1.0
137.13228	5.0
184.07324	12.2
225.46797	1.1
239.23662	13.5
257.24637	4.1
278.25015	1.1
313.27365	100.0
331.28424	63.8
475.32660	5.3
510.35480	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	510.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10261	1.9
55.05520	3.2
57.07086	47.7
58.66577	2.5
59.43979	2.0
64.94324	2.2
66.31377	2.0
67.05506	14.3
69.03438	2.6
69.07048	5.5
71.08636	39.6
81.07060	26.2
83.08643	16.9
85.02912	14.5
85.10186	37.0
86.09704	13.4
95.08604	35.1
97.02888	29.2
97.10174	10.8
99.04453	2.7
109.10149	23.4
113.13202	2.7
123.11710	4.7
127.03909	12.4
145.04965	5.1
159.74593	2.5
177.05438	5.1
184.07338	68.3
239.23721	32.2
271.00821	2.5
280.62015	2.3
383.27991	25.7
401.28955	100.0
510.35400	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	510.3558
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
57.07060	3.8
60.08170	9.5
60.51830	2.2
86.09709	32.8
97.95956	2.3
104.10126	4.2
104.10759	77.1
109.13598	2.5
125.00008	15.1
136.65871	2.7
184.07346	100.0
252.02866	2.6
261.15759	3.1
337.41110	3.3
492.34830	5.8
510.35605	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.5
56.99875	1.3
57.03446	3.1
57.07085	64.8
61.02925	2.1
67.05502	10.1
69.07066	14.4
71.08636	47.4
74.88994	1.3
75.04469	1.7
81.07064	28.6
83.08624	24.6
85.02414	1.3
85.02906	8.1
85.10189	42.4
91.03979	1.6
92.17844	2.3
92.18365	3.2
95.08611	47.9
97.10162	12.9
109.10168	26.9
111.11725	2.1
123.11723	9.3
126.86691	1.6
137.13219	5.7
151.14903	1.5
155.85722	1.5
164.46892	1.5
165.16389	2.2
197.05441	1.6
230.72081	1.4
239.23727	16.8
257.24701	6.3
313.27371	100.0
331.28424	80.6
383.27780	2.3
401.29089	21.4
442.00626	1.8
450.10712	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	11.3
59.07363	2.2
60.08173	2.8
84.56861	1.4
87.04470	2.4
144.10234	7.8
162.11284	2.7
173.70892	1.8
218.13931	2.0
224.59396	1.5
236.12552	3.5
236.14926	100.0
388.32590	2.0
412.26846	16.4
464.82968	2.1
492.32919	3.6
510.34158	52.6
510.40253	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	510.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37050	3.4
58.06604	17.6
59.07385	6.1
59.73167	4.0
69.07059	6.2
81.07056	7.2
88.88145	5.1
116.94066	4.5
144.10226	5.5
166.51886	4.6
183.36951	5.3
236.14951	100.0
264.10788	5.3
265.75073	5.0
338.27780	9.3
386.26416	4.8
388.29434	5.3
412.27164	7.0
510.34219	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46050	1.4
53.36426	1.5
53.76370	1.6
55.05518	2.4
58.41296	1.4
69.03441	2.9
69.07084	2.6
70.06596	4.3
71.08622	10.0
72.08150	7.5
72.67985	1.8
78.00130	1.6
81.03444	4.1
81.07056	2.3
83.08642	12.7
85.02922	14.9
85.06532	3.5
87.00856	3.7
95.08585	2.7
96.08131	3.4
97.02885	7.8
98.61739	2.0
99.08102	8.9
105.01858	3.8
109.02913	2.3
109.06577	1.6
111.08091	100.0
112.77848	1.7
114.09176	13.2
121.10136	3.2
123.04440	2.3
127.03928	3.4
142.79178	1.8
145.96727	1.8
147.11679	7.0
153.78329	2.0
155.06157	1.7
155.14301	83.2
156.76546	1.9
163.03899	14.9
165.09100	2.1
165.12721	2.1
177.05394	3.2
183.13802	77.5
197.62259	2.3
201.14870	25.2
221.08067	33.4
227.16359	42.0
227.18138	2.3
245.17499	10.0
263.47626	1.9
381.17346	1.8
381.67484	1.9
406.17752	8.2
436.18994	3.7
449.71597	10.1
501.71429	6.6
509.88406	3.1
510.22253	11.9
510.38522	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	510.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49854	0.4
57.03433	2.9
57.11899	0.5
58.06606	15.9
59.07388	5.1
60.08169	6.7
67.05492	2.3
69.07059	2.2
75.04476	1.2
79.05469	0.7
81.07054	1.3
84.08128	0.6
85.02882	1.1
87.04457	2.9
92.18434	0.8
93.07019	1.3
95.08588	0.9
97.06539	0.7
102.05563	0.7
105.05459	0.6
105.07020	0.7
117.07850	0.7
131.07025	1.2
144.10201	12.7
162.11267	4.2
218.13887	2.6
236.14922	100.0
288.61176	0.5
290.16037	3.9
300.78006	0.6
316.21664	0.7
338.27689	2.3
412.26938	10.6
447.21518	0.5
492.33264	7.3
510.34277	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.9
69.03417	2.2
69.07057	4.2
70.06586	1.5
71.08638	8.8
78.25810	1.0
81.03419	2.0
81.07057	2.0
83.08630	4.6
85.02919	8.9
85.06564	2.2
87.00835	2.7
93.07056	1.3
95.08681	1.8
97.02937	4.4
99.04442	1.3
99.08100	7.0
105.01859	2.0
105.07018	1.4
109.02877	2.6
109.10183	1.4
111.07313	2.4
111.08092	73.8
114.09185	1.7
121.10166	1.7
123.11688	4.5
127.03930	8.5
145.05040	1.3
147.11673	6.0
155.14316	96.6
165.12788	4.9
167.07216	1.0
178.10294	1.1
183.13808	100.0
201.14873	50.5
209.15256	1.3
227.16411	9.8
245.17482	29.7
278.38626	1.2
510.24478	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	510.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95976	0.6
55.01884	1.1
55.05514	4.2
57.03448	0.7
57.90907	0.6
60.44836	0.7
61.02934	0.8
69.03430	1.7
69.07074	4.5
70.06597	3.3
71.08643	8.6
72.08159	1.0
73.02931	1.2
75.01594	0.6
81.03439	3.5
81.07061	1.7
83.08636	9.1
84.08132	0.8
85.02912	12.7
85.06548	1.0
85.95935	0.7
86.09719	0.8
87.00827	3.9
96.08127	1.3
97.02901	8.4
99.04475	1.1
99.08102	8.3
105.01871	3.1
105.07047	1.3
109.02893	7.0
111.08094	100.0
114.09158	6.1
117.09116	1.1
121.10106	0.8
123.11744	3.4
127.03922	6.7
127.07551	1.4
129.09137	1.2
132.44415	0.8
145.04948	1.2
147.11702	3.6
155.14314	90.0
159.02873	1.7
163.03912	3.7
165.12773	4.0
183.13818	92.7
201.14880	29.3
201.16718	1.3
209.15303	0.9
220.09799	0.9
227.16411	52.5
245.17464	12.8
278.77667	0.8
509.88580	1.6
510.27054	3.7
510.38687	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	510.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
62.11210	0.9
63.96645	0.9
65.24561	0.9
67.05537	1.1
69.07062	1.7
81.07059	6.8
81.47403	1.2
83.04971	1.7
84.89338	1.0
93.07014	1.7
95.08634	4.8
109.06546	1.2
109.10172	1.2
111.04464	16.9
113.06048	1.1
119.08533	1.3
121.10128	2.0
123.11774	2.0
125.05967	5.0
133.10158	2.0
135.08078	1.5
135.11700	5.7
137.05995	100.0
137.13332	1.9
147.11708	5.3
149.09633	6.4
149.13269	1.9
151.07582	1.7
151.11205	1.0
161.09653	5.5
161.13306	2.0
163.11176	4.2
165.09125	2.4
171.11615	1.4
175.11197	7.7
175.14922	1.3
179.10684	2.1
203.17935	9.8
213.16440	6.0
221.19084	2.1
231.17476	13.2
241.15985	1.2
249.18488	6.9
277.17993	24.1
295.18982	1.2
320.22031	1.6
323.98111	1.0
351.21667	34.3
369.22739	43.0
492.23654	12.9
510.24521	14.4
510.37280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52489	4.2
95.06127	8.1
105.21399	4.5
142.70187	4.6
159.08099	9.8
161.40193	4.6
167.07011	48.0
169.74623	5.2
176.28119	5.1
187.07570	25.7
204.59061	4.5
217.08508	45.8
219.10220	5.7
247.09680	10.4
256.26331	4.7
276.07834	6.9
279.10046	5.9
291.10138	10.1
307.09741	6.9
315.08578	7.6
321.89075	5.4
323.12680	5.3
337.10480	5.8
353.10233	11.2
368.12646	7.3
371.15146	19.5
383.14868	100.0
401.16013	30.4
443.17020	54.3
466.36563	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	510.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15607	0.6
53.11157	0.6
69.03405	0.8
76.34887	0.7
79.18488	0.7
79.76327	0.7
81.03373	1.0
82.01260	0.7
83.87590	0.6
85.02904	8.8
97.02909	1.8
103.24229	0.7
107.04942	1.4
119.04916	1.1
121.06454	0.9
125.06018	1.0
127.03855	0.8
131.04924	19.0
131.08582	7.9
133.06444	2.8
137.05983	26.5
142.43509	0.9
145.06503	0.8
147.08067	1.1
149.05978	1.8
151.07533	16.5
159.08052	41.8
163.15440	0.8
177.09106	12.2
188.45496	0.7
189.08932	1.2
197.09720	1.0
223.07538	4.0
223.11174	3.0
225.09100	3.5
237.09116	6.5
242.09529	1.0
251.10722	4.0
255.10161	48.4
257.11728	5.0
269.11752	1.1
283.10306	1.6
283.13303	26.8
295.13297	0.9
301.14343	100.0
313.14404	3.5
331.15451	3.4
510.21710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39712	1.4
61.07430	1.5
63.27265	1.7
70.06588	2.9
72.08150	7.8
80.47285	1.7
85.02916	8.9
91.05499	18.3
93.03393	13.6
93.07059	3.9
95.04996	2.9
103.05473	4.3
105.03388	4.3
105.07074	6.9
106.04189	13.4
107.04959	4.4
109.06542	6.9
112.49839	1.9
119.04958	41.1
119.08501	2.2
121.06509	21.1
123.08090	4.3
125.06012	8.0
127.03903	2.1
131.04927	7.7
132.05710	1.7
133.06531	6.9
135.08011	3.4
137.05974	4.2
147.04436	7.2
148.05093	2.8
149.05994	52.0
151.07570	24.9
153.09137	9.2
159.08104	3.6
161.05992	29.7
162.06758	7.2
163.07556	4.1
167.07059	48.0
173.06055	2.3
175.07565	15.2
177.05473	28.8
179.07010	15.7
180.07837	11.3
181.08572	15.5
182.09430	2.9
187.07506	14.3
190.06351	3.6
191.07034	14.9
192.07837	9.4
205.08603	32.6
209.08115	100.0
217.08543	3.2
223.04324	7.5
235.09622	24.4
251.86571	2.3
309.11346	2.1
317.96536	2.0
341.13727	4.3
352.54150	1.7
353.13821	2.5
359.14828	4.1
371.14993	11.3
389.16064	2.8
449.61218	1.9
510.11792	2.0
510.18851	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	40.4
70.06568	3.0
70.69109	1.4
72.08154	8.7
90.64939	1.5
103.05476	10.9
105.07019	2.2
118.04150	1.8
119.04936	2.7
119.76146	1.7
122.02733	3.6
130.83092	1.7
131.04948	16.7
133.02849	75.7
133.06493	6.1
137.05943	9.0
137.06888	1.6
147.04401	9.6
149.05978	19.1
161.05983	18.4
163.03859	6.9
163.07558	9.7
165.05464	18.5
167.07048	2.0
176.08345	7.3
177.05475	51.8
177.09079	19.0
185.02667	6.9
188.70160	1.7
191.07018	100.0
193.08566	8.1
199.04224	7.7
209.08102	55.5
241.05226	6.9
300.08984	2.1
312.08804	2.1
330.10098	9.3
341.13800	27.8
353.13898	2.4
361.42136	1.9
462.15738	16.0
510.17911	2.2
510.21573	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	510.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
65.03930	0.7
70.06604	0.4
75.04474	2.9
79.05501	0.6
85.02897	2.1
89.06006	1.8
91.05482	5.7
93.03403	17.1
93.07046	3.8
95.04945	2.2
97.06528	0.8
103.05464	3.2
105.07053	0.7
105.89748	0.5
106.04174	17.3
107.04957	0.9
119.04929	2.9
121.06507	27.2
123.04464	0.9
125.05978	11.1
131.04910	1.1
133.02867	0.8
134.03595	3.6
135.04420	0.7
137.05998	5.0
139.07527	3.1
145.02827	1.0
147.04405	5.1
148.05183	1.8
149.05986	65.0
150.06706	0.6
151.07527	3.2
153.05420	1.1
153.09111	18.7
163.07518	2.1
166.06210	1.1
177.05469	29.9
179.06902	1.6
181.08600	24.9
191.07022	1.1
193.03203	8.1
209.08087	100.0
233.12529	0.5
261.09235	0.5
282.07806	0.8
339.12289	1.1
465.83017	0.5
510.22543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07069	1.0
53.62239	0.9
55.01873	1.4
57.03436	1.1
69.20860	1.2
70.06582	4.7
72.08144	6.5
75.04466	1.9
78.95691	1.2
79.05479	1.8
79.32261	1.0
84.08174	1.3
85.02910	6.2
86.09692	2.2
91.05492	21.5
93.03420	13.8
93.07053	4.3
95.04987	2.5
103.05473	7.2
105.03405	7.0
105.07014	4.3
106.04173	15.2
107.04951	6.0
109.06522	4.7
119.04947	41.2
120.08104	1.0
121.06519	23.3
123.04430	1.4
123.08057	4.5
125.06021	10.0
131.04932	12.4
132.05721	3.9
133.06490	6.7
134.03613	1.3
135.08113	1.4
137.05997	7.1
145.02824	1.3
147.04408	9.3
147.08020	4.8
148.05182	2.2
149.05989	50.3
151.07541	26.6
153.05466	1.4
153.09120	11.3
159.08034	5.8
159.77356	1.1
160.05171	1.7
161.05978	28.7
162.06799	8.8
163.03914	4.1
163.07567	6.0
165.05531	1.6
167.05611	2.2
167.07030	45.0
175.07524	13.6
177.05470	24.8
179.07027	16.9
180.07800	14.1
181.08620	18.9
182.09433	2.2
187.07555	16.8
190.06276	6.5
191.07030	20.9
191.34872	1.3
192.07814	11.7
193.08629	1.3
205.08621	37.5
205.10414	2.1
209.08101	100.0
217.08595	1.8
223.04271	10.4
223.09671	2.7
224.09982	2.0
227.12703	1.0
235.09660	22.6
261.09186	1.2
265.10776	1.4
309.11362	1.7
312.09082	1.3
321.11237	1.4
335.03525	1.0
339.12488	1.5
341.13849	4.5
353.13983	1.9
359.14926	4.5
371.14917	8.9
389.15948	4.1
510.25342	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	509.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07790	0.6
70.06583	4.8
72.04527	0.7
72.08164	6.4
72.22612	0.5
84.07672	1.2
84.08150	25.8
86.00037	0.5
94.62653	0.6
98.06062	1.2
98.09709	1.5
103.29823	0.7
107.08584	1.1
110.10583	0.6
112.07611	0.9
114.09172	28.3
120.08095	2.4
121.08446	0.7
123.08054	1.1
125.09690	0.6
127.08691	2.7
131.11816	0.6
143.11810	46.0
148.11279	0.9
157.09869	0.7
157.13394	0.9
163.03986	0.8
164.15527	0.7
166.08611	1.0
167.10728	0.8
193.13405	7.4
256.52795	0.7
261.19626	2.4
263.17834	0.7
328.27118	0.6
463.28000	2.6
467.25909	3.6
509.21890	3.4
509.28241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2528
Annotation	Dihydroornativolide
Peak:m/z	Relative Intensity
54.97424	0.8
88.46647	1.2
98.22868	1.0
111.96220	1.1
116.19833	0.9
144.08086	29.0
158.09718	1.4
170.09648	100.0
171.10406	23.0
187.12376	1.2
201.13916	6.1
202.14699	13.1
203.59837	1.1
309.12027	2.1
509.25281	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	509.2726
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
52.10340	0.4
52.94122	0.4
71.54642	0.5
79.02157	0.6
86.71838	0.6
102.05364	0.5
128.05061	0.5
203.05284	0.8
259.07889	0.8
509.27243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88600	12.6
77.60180	11.9
82.24298	14.5
83.89761	14.7
85.01515	12.1
95.57809	14.1
107.44114	13.2
121.23637	12.6
139.44923	15.8
195.16321	12.6
226.58850	16.6
290.66577	17.2
317.15436	17.0
439.19824	14.5
509.27896	100.0
522.25250	15.3
533.94440	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	509.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.8
60.22287	0.1
69.73808	0.2
70.06595	0.3
71.34317	0.2
72.08149	0.2
93.87353	0.2
122.07192	0.4
151.03909	11.2
151.05106	0.4
152.04251	5.8
160.07576	35.2
161.08354	1.2
167.07030	4.1
168.07367	2.5
170.09694	1.5
174.09143	0.8
175.09865	0.3
186.09145	100.0
187.09927	31.4
201.02130	0.2
202.11014	0.4
203.11824	0.8
211.09700	0.4
212.10039	0.2
217.13371	4.0
218.14139	18.0
231.93680	0.2
268.48514	0.2
322.43884	0.2
361.12885	0.4
362.13171	1.2
380.14264	0.9
509.24969	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	509.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75359	0.9
71.91498	1.2
76.26183	1.1
77.73802	1.1
79.05497	1.2
81.07040	1.6
81.70051	1.4
86.81081	1.0
95.08607	1.6
105.07060	1.8
109.10155	1.6
112.14156	1.3
119.08587	1.5
127.00053	1.1
133.10162	1.3
140.11971	1.1
163.03912	1.8
203.05354	5.1
233.55989	1.4
245.06422	2.6
258.26685	1.2
265.19907	1.4
271.78885	1.4
287.03839	2.4
289.05313	66.9
289.08536	2.5
452.27917	1.2
488.13892	1.4
491.22641	9.1
509.23587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73215	1.1
51.19081	1.1
56.12060	1.1
57.83390	1.1
69.09724	1.2
89.02235	1.2
109.54102	1.3
171.04117	1.6
187.03677	59.0
187.43108	1.4
188.72342	1.3
196.48637	1.5
215.03163	1.8
246.51027	1.3
274.10513	100.0
353.91608	1.6
395.34900	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64677	0.4
55.21752	0.4
61.05299	0.5
62.27189	0.5
67.05495	0.7
69.07084	0.7
81.07050	2.5
83.08612	0.5
84.22478	0.6
91.05477	0.8
93.07038	1.0
95.08584	0.9
105.07047	0.6
107.08564	1.1
111.78201	0.5
119.08591	0.6
121.10118	0.6
130.15511	0.5
135.11722	0.9
143.01906	0.7
163.03981	0.7
203.05229	3.7
227.05379	1.0
245.06378	5.2
276.20496	0.7
287.03891	4.4
289.05298	38.4
294.21594	0.7
373.00201	0.6
429.65588	0.6
465.24316	3.6
491.22565	2.1
509.23584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68037	0.2
58.06601	1.9
69.07068	1.5
70.06600	0.2
71.07406	0.2
72.08152	0.4
84.08141	0.3
85.08927	2.4
86.09694	0.7
100.11253	3.7
105.71722	0.2
114.12808	100.0
153.42299	0.2
223.86069	0.2
359.23679	0.6
368.38486	0.2
377.24371	0.8
384.28629	2.2
411.86203	0.2
446.31186	0.2
446.98795	0.2
490.32986	1.4
508.33875	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	508.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08361	1.0
60.08168	4.5
72.49052	1.2
86.09707	19.9
94.71089	1.4
104.10740	1.7
125.00011	8.6
184.07343	100.0
185.76181	1.3
198.95949	1.2
225.43488	1.4
232.79221	1.2
311.02643	1.4
508.33951	15.4
515.53925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00929	0.2
56.26688	0.2
58.06607	2.1
59.72213	0.2
69.07071	4.0
70.06606	0.9
71.07391	0.4
72.08178	1.0
84.08165	0.3
85.08939	0.3
86.09708	1.3
92.18497	0.4
100.11260	100.0
114.12807	29.1
146.29709	0.2
163.03897	0.4
207.98691	0.2
239.17502	0.2
282.86707	0.2
349.21094	1.1
365.39200	0.2
377.20633	3.8
384.28418	0.4
508.29620	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57407	0.2
58.06609	1.8
59.78004	0.2
60.57299	0.2
61.54258	0.2
65.05521	0.2
65.27924	0.2
66.02235	0.2
66.62431	0.2
67.34698	0.2
69.07081	1.5
70.06594	0.5
84.08165	0.8
85.08932	2.3
86.09697	0.4
100.11270	3.2
114.12811	100.0
115.05931	0.2
148.59280	0.2
170.09669	0.2
192.17870	0.2
227.09535	0.2
310.88531	0.2
340.85062	0.2
359.23624	0.4
377.24411	0.5
383.60513	0.3
384.28882	2.4
398.08957	0.2
490.32950	1.3
508.33920	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	508.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.2
55.05524	1.3
57.03437	1.7
58.06608	1.1
61.02932	5.2
69.03429	12.2
70.06593	8.9
71.68716	1.0
72.08163	7.0
73.02907	2.3
81.03410	7.9
83.04977	1.8
84.08127	1.2
85.02911	86.4
86.16799	1.2
87.04467	2.5
91.03948	4.8
91.05473	1.1
93.07043	2.2
95.08597	4.2
97.02892	29.3
99.04448	2.5
105.01877	2.1
105.07066	2.2
107.04953	23.9
107.08625	1.4
109.02866	10.2
109.10165	1.4
111.08057	1.5
119.08575	6.5
121.06503	67.1
123.08084	1.3
124.93166	1.1
125.06009	6.3
127.03911	27.4
131.08568	4.3
133.10149	2.1
137.09607	2.4
142.08659	1.5
145.04968	29.4
145.10091	1.6
146.79044	1.0
149.05983	100.0
149.09619	2.6
151.90906	1.1
154.08612	1.3
159.11688	24.9
161.13251	2.0
163.03899	6.8
163.05989	10.9
163.11209	6.5
167.07027	81.8
167.10698	7.5
173.13283	1.2
177.12692	8.1
181.12253	1.1
189.12767	2.4
195.13814	1.9
207.13747	11.0
225.14867	5.7
243.15944	4.3
288.60745	1.3
289.09232	1.3
311.07520	1.7
325.11267	9.1
377.15643	1.2
385.16245	1.2
508.22055	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	508.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93299	0.2
52.64439	0.1
53.05822	0.2
53.18785	0.2
55.78636	0.2
58.06610	0.2
60.08119	0.2
72.08150	0.3
74.29893	0.2
79.05534	0.2
84.08137	0.3
85.02905	0.2
85.61301	0.2
93.07020	0.2
97.29482	0.2
103.05475	2.3
107.04974	0.8
107.31705	0.2
120.08107	100.0
123.04415	0.2
131.04913	3.0
138.16170	0.2
140.85555	0.2
149.05972	2.4
163.03874	0.5
163.12941	0.2
166.08632	55.7
203.50107	0.2
215.08145	0.3
247.05304	1.6
254.11261	0.3
258.86557	0.2
259.05313	0.4
449.15131	0.2
464.23038	1.3
508.22427	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	508.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.01884	8.7
57.03442	2.3
61.02933	5.7
66.76370	0.6
67.43438	0.6
67.66641	0.7
69.03438	10.4
69.46376	0.5
70.06576	3.2
71.04974	1.2
72.08147	3.6
73.02914	2.8
81.03428	4.4
84.08131	0.6
85.02911	71.9
87.00832	0.6
87.04475	1.4
91.03954	3.8
91.05475	0.8
93.07045	1.2
95.04945	1.3
95.08578	2.0
97.02896	18.6
99.04474	4.9
105.01885	2.6
105.07034	1.2
107.04962	28.7
107.08560	1.3
109.02885	8.1
119.08559	1.2
121.06508	67.0
121.10149	0.9
125.05972	1.2
127.03046	1.2
127.03922	25.1
136.33987	0.6
145.04964	28.8
145.10118	0.7
147.11687	1.4
149.05989	100.0
153.09012	0.6
159.11717	8.5
163.06001	11.5
163.11174	3.4
167.07039	80.7
167.10674	3.7
171.11725	0.9
177.12772	4.1
181.12291	0.9
189.12865	0.8
195.13861	2.3
207.13840	6.8
225.14825	4.1
243.15912	1.4
247.62579	0.6
289.09189	2.7
325.11230	9.5
460.38525	0.7
508.23001	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	508.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97878	0.9
55.05511	0.8
68.78507	1.0
70.02957	1.9
70.06597	2.4
71.06111	1.4
72.08160	21.8
74.02445	2.0
84.08144	1.8
88.03994	3.9
89.10786	1.5
98.06074	4.4
99.05601	1.2
100.03992	4.4
112.03978	1.1
114.05590	1.4
114.09179	4.3
123.05582	1.1
124.03957	2.4
126.05547	13.7
142.05025	7.0
143.11841	5.2
144.12120	1.7
145.06133	2.3
149.00546	4.1
149.05994	1.2
152.03442	11.6
153.06581	1.1
153.10313	4.0
154.08664	5.9
156.01277	1.4
158.02708	1.9
158.41035	1.1
160.00629	1.2
161.04788	2.3
168.04860	1.3
169.06117	1.5
170.04512	5.4
171.11330	5.4
181.08669	2.2
184.00713	2.0
192.01198	12.8
193.04367	1.3
194.02737	38.6
199.07158	27.2
209.05583	9.1
218.02715	9.7
227.06622	16.8
240.13550	1.0
258.02206	8.2
259.03964	8.3
276.03381	4.3
299.04907	1.9
315.16345	1.5
356.07294	1.9
388.13336	1.1
402.07477	1.3
405.15948	2.3
433.15509	11.2
437.15363	0.9
479.34302	1.1
490.17725	1.6
508.18771	100.0
508.26758	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	508.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31530	0.5
55.05490	0.8
62.06103	0.8
68.12465	0.6
70.02950	1.6
70.06602	1.4
71.06119	2.6
72.08160	16.3
74.02435	0.9
88.04012	5.5
89.10777	1.2
96.04487	1.1
98.06062	4.2
99.05613	0.7
100.03981	3.8
120.85074	0.7
124.03956	1.5
126.05525	15.3
128.03453	0.8
142.04999	6.1
142.94435	0.7
145.06082	3.4
149.00566	3.6
151.04933	0.9
152.03439	12.1
153.06584	1.3
153.10258	1.5
154.08635	5.5
156.01187	1.0
158.02705	2.7
160.00653	3.2
161.04707	3.2
166.03244	1.4
169.06125	1.1
170.04491	6.2
171.11279	3.5
178.03278	0.7
181.06027	1.1
184.00606	0.9
190.03230	0.9
192.01163	12.2
192.04816	0.9
194.02719	27.7
199.07133	21.5
199.08893	0.9
202.03156	0.8
206.02736	1.5
209.05479	10.1
209.07121	0.6
213.03294	0.6
217.04369	0.7
218.02695	6.4
227.06622	17.2
235.05183	0.8
244.06097	0.8
251.79395	0.8
258.02203	9.3
259.03812	6.9
263.04898	1.1
265.10251	2.0
276.03305	4.2
289.10254	1.0
299.04874	3.9
317.05884	1.3
332.74496	0.7
344.50232	0.8
345.05243	1.1
356.07150	1.2
388.13281	0.9
402.07425	1.0
420.08255	0.8
433.15427	5.7
508.18607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.7
57.35853	0.4
61.02906	0.5
66.41472	0.5
69.02800	0.5
69.03453	3.7
69.40659	0.5
77.73524	0.6
80.47997	0.4
81.03400	0.5
84.05642	1.0
84.56514	0.5
85.02915	12.0
97.02908	4.5
99.04451	0.7
109.02862	0.7
122.58034	0.5
126.90898	0.6
127.03923	2.6
145.04971	1.0
148.03947	11.1
163.03903	2.4
164.04254	0.7
166.04996	98.2
184.06055	100.0
219.12248	0.5
227.19933	0.5
230.78230	0.6
254.11327	3.3
255.11671	2.7
313.22299	0.5
346.11340	26.4
508.16617	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	508.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.4
67.05515	0.4
69.23193	0.2
89.62424	0.3
92.17815	0.6
105.07014	0.3
126.25827	0.3
126.77365	0.3
133.06551	0.5
141.05475	1.2
151.03912	100.0
161.05988	1.1
167.07040	41.9
181.08563	0.5
186.09099	0.5
193.08638	3.0
211.09663	2.5
312.44910	0.3
361.12845	11.3
361.17456	0.4
379.13943	4.9
508.18338	1.3
508.26355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41153	0.3
67.72066	0.2
72.08145	0.5
76.48701	0.2
76.57101	0.2
84.08139	0.6
93.07039	0.3
95.91390	0.3
99.15009	0.3
103.05466	2.4
107.04958	1.2
120.08109	100.0
120.48721	0.3
131.04945	3.1
140.54089	0.3
145.02882	0.6
149.05965	2.2
163.03908	15.6
166.08640	50.0
236.62459	0.4
247.05389	1.3
253.83141	0.3
254.21397	0.3
305.05939	0.4
318.56577	0.3
343.10300	1.2
464.23425	2.0
508.22153	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	507.3299
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
50.84103	2.3
56.76122	2.2
62.24881	2.5
72.97349	2.6
73.15195	2.9
73.35389	2.7
75.56483	2.5
78.10000	2.9
90.58326	3.1
157.02939	3.2
164.35742	2.7
166.12712	3.0
173.16127	3.8
270.73343	2.9
507.32864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24374	0.2
58.06608	2.2
67.05526	0.2
69.07084	1.6
70.06595	1.5
72.08153	1.1
73.53314	0.2
84.08164	1.3
85.08941	1.8
86.03680	0.2
86.09703	1.0
94.07060	0.3
95.08562	0.2
100.11269	1.4
112.07611	0.2
114.12810	100.0
116.32930	0.2
120.08089	0.3
123.04414	0.3
126.40225	0.3
131.04976	0.3
133.10085	0.3
134.43915	0.2
137.06062	0.2
145.02856	0.2
163.03896	1.5
164.07050	1.0
222.11104	0.3
251.17624	0.4
257.76187	0.3
359.23224	0.9
364.26065	1.3
366.27682	0.9
377.24417	1.0
383.30203	3.7
472.31665	0.3
489.34482	0.5
490.32962	0.9
507.26950	1.7
507.35394	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	508.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82499	0.6
55.37209	0.7
59.18327	0.5
69.03415	0.8
70.01869	0.6
85.02908	4.5
86.09708	5.1
96.89698	0.7
97.02883	1.4
109.84180	0.7
123.04414	0.8
128.23096	0.6
132.10190	4.3
148.03928	4.6
159.65242	0.6
163.03886	2.7
163.53522	0.7
166.05003	69.0
183.06560	1.4
184.06056	100.0
225.07565	3.5
241.63927	0.6
241.86713	0.7
317.05673	1.1
346.11325	34.4
487.83511	0.8
508.16678	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	507.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.3
58.19046	0.2
59.35918	0.2
69.07072	1.1
71.07381	1.7
72.08160	0.4
86.09713	100.0
94.49825	0.2
113.10753	0.3
114.09171	0.3
118.06548	0.3
120.08161	0.4
131.11787	0.3
134.06015	0.3
136.07579	2.1
137.06021	0.3
141.10219	1.6
146.03093	0.2
146.06055	1.6
162.05548	0.4
164.06978	0.3
170.09676	1.1
170.24236	0.2
172.11165	0.4
174.05476	0.3
181.05087	0.3
187.61636	0.2
188.14383	1.3
203.15544	0.9
224.10733	1.3
231.15013	0.5
232.15814	0.4
233.16548	0.5
236.10751	0.8
259.14337	2.2
264.10452	0.2
275.13995	1.2
297.19614	0.2
337.19363	0.3
372.22751	1.9
394.21194	1.0
422.20767	12.3
422.26169	0.5
476.25876	1.2
479.30380	1.4
507.23959	0.5
507.29852	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	507.2972
Annotation	Hemsine D
Peak:m/z	Relative Intensity
54.49277	0.2
55.05520	2.7
61.35993	0.2
68.13570	0.2
70.06587	0.3
71.07376	1.3
86.09708	100.0
91.05499	0.3
113.10745	0.3
118.06568	0.5
120.08077	0.6
134.06000	0.3
136.07568	2.2
137.05907	0.3
141.10205	1.8
146.06032	1.7
162.05536	0.4
170.09642	1.0
174.05524	0.4
181.04855	0.3
188.14314	2.1
196.11343	0.4
203.15570	0.5
222.43959	0.3
224.10826	1.3
233.16479	0.5
236.10704	1.0
259.01645	0.2
259.14383	2.7
275.13898	0.4
337.18988	1.1
346.34122	0.3
372.22855	2.0
394.21378	1.0
406.34360	0.3
422.20724	11.5
422.26120	0.5
476.25299	1.9
479.29813	2.0
507.22989	0.5
507.29700	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	507.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01870	2.6
55.05519	9.2
57.03402	1.1
57.07076	7.6
60.11305	1.1
67.05515	16.7
69.03430	7.9
69.07069	15.9
71.04997	73.0
71.08620	1.1
74.22414	1.3
79.05492	5.1
81.03414	6.5
81.07062	41.1
81.29884	1.2
83.08624	17.5
85.02901	21.0
85.06550	27.6
86.09695	7.8
87.00832	9.2
91.05503	1.5
92.17770	1.4
93.07050	19.9
95.08605	42.4
97.02882	6.2
97.06533	27.0
97.10165	10.9
99.04440	1.7
99.08092	6.8
105.01868	9.8
105.07044	6.0
107.08593	20.4
109.02866	7.6
109.10168	43.3
111.08083	7.4
111.11694	2.3
113.09672	1.5
115.07549	5.5
117.20927	1.7
121.10137	15.6
121.33409	1.3
123.10849	2.3
123.11703	33.8
125.09586	2.9
127.03905	15.1
133.10094	1.3
135.11662	15.9
137.13254	16.7
141.12721	1.4
145.05003	2.2
149.13272	28.7
153.12729	2.7
155.14252	1.4
163.14850	6.2
167.14339	1.9
177.16345	2.8
179.17834	1.7
192.71661	1.4
205.19504	11.8
223.20566	32.5
241.21614	100.0
259.22659	42.5
289.05417	1.5
507.21616	6.5
529.15869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61502	0.4
53.82412	0.4
55.05521	6.3
56.79762	0.4
67.65718	0.4
70.06599	24.8
70.06985	0.9
72.08161	63.5
74.02441	2.8
84.08149	3.7
86.09716	0.5
88.07635	100.0
94.45359	0.5
95.05001	0.6
98.06049	4.9
99.05600	0.7
100.07629	1.0
100.11258	2.7
103.68431	0.4
111.19557	0.5
111.84528	0.5
112.07684	0.7
112.11258	3.1
115.08646	0.5
125.48068	0.4
127.08725	0.6
130.08649	3.5
133.09749	1.7
136.07607	3.2
140.10753	0.8
145.50691	0.4
146.06067	0.6
154.12267	1.8
155.11829	1.1
156.12608	1.6
156.13893	2.7
164.07074	0.6
165.05499	3.0
182.08168	1.7
183.14917	1.1
189.09085	4.5
192.06567	2.7
199.14491	1.0
202.12260	13.2
211.14423	1.0
217.13387	0.6
219.15085	0.7
227.13931	1.7
230.11841	0.9
231.10156	15.2
231.12279	0.7
248.12810	16.3
265.15451	3.4
274.10947	0.9
275.13953	3.5
276.12503	0.7
277.15585	0.7
281.15015	0.6
293.14917	0.8
321.14474	2.1
326.20554	0.6
347.19629	2.5
391.18607	0.6
392.21811	3.2
395.02112	0.5
414.23938	1.0
420.21262	37.0
432.21832	0.5
458.22821	8.5
463.25134	0.9
476.23901	14.6
479.28574	7.0
489.27197	2.5
507.28180	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2665
Annotation	Asn Phe Ala Arg
Peak:m/z	Relative Intensity
55.23969	1.1
55.78477	1.1
55.84327	1.2
56.63730	1.2
57.46370	1.1
67.60345	1.1
70.06599	9.7
71.05000	1.6
72.04527	1.4
72.08162	15.7
81.03435	1.5
84.04498	1.4
84.08144	20.3
85.02920	1.8
93.07085	1.6
97.78963	1.5
98.06083	2.6
98.09679	1.5
114.09173	28.4
115.08742	1.7
129.10226	5.4
135.50706	1.3
143.11798	33.2
157.09741	1.4
163.03975	1.8
165.05528	1.3
181.13229	1.6
193.13402	5.9
223.14502	6.0
254.94687	1.4
373.24789	1.6
374.15915	1.5
465.24908	4.6
507.26755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06598	2.8
72.08163	2.5
77.24427	0.3
80.61160	0.3
84.08105	1.1
84.36375	0.3
85.02869	0.5
86.09676	0.5
92.18500	0.3
98.06017	0.4
115.86874	0.3
120.08064	0.6
122.76485	0.3
143.06932	0.5
144.08098	8.1
145.08788	0.3
168.07918	0.3
170.09651	35.3
171.10431	22.6
177.05493	0.3
201.13879	2.8
202.14659	63.2
221.08028	0.4
269.19073	0.3
287.21185	100.0
489.22131	0.7
507.27332	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24779	0.5
68.56282	0.5
69.03436	0.7
70.06597	3.7
70.44183	0.5
71.57161	0.5
72.04517	3.4
72.08164	6.9
78.10983	0.5
81.01353	0.6
83.04999	1.3
84.05624	0.6
84.08153	26.4
85.02905	1.2
91.21400	0.6
93.07033	0.7
100.07623	1.4
112.07617	0.9
114.09176	33.9
115.08710	1.4
119.08559	0.7
127.08669	1.1
143.11810	43.3
148.11221	0.7
157.09763	2.4
157.13368	0.6
163.03905	3.0
171.25522	0.6
173.14073	0.7
174.19623	0.6
177.05472	5.1
181.13477	0.6
182.85216	0.5
193.13348	1.3
198.47075	0.6
206.05844	1.0
207.06548	28.7
223.14412	1.3
230.69049	0.6
239.15126	2.7
242.07799	1.2
287.12424	0.6
357.16089	0.7
373.17160	0.8
373.73901	0.6
391.18356	2.8
430.22125	0.8
448.13721	2.3
448.22891	5.0
461.25995	1.3
465.24771	3.5
489.25464	1.1
507.20795	7.7
507.26782	100.0
518.37170	0.6
525.00757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43863	0.7
62.21523	0.8
63.42607	0.6
67.05496	3.3
67.41295	0.6
69.03473	0.8
70.06590	1.5
72.08165	1.4
78.07249	0.6
79.05486	0.8
81.07047	3.4
85.02904	0.9
86.09721	8.2
91.05499	1.3
92.17842	0.7
95.06069	1.4
95.08605	1.6
99.08179	0.8
103.07570	1.0
107.08572	0.8
109.10165	35.1
111.07420	0.8
114.12843	2.6
115.13196	0.8
116.07097	1.8
135.11708	0.8
149.09589	0.8
159.11615	0.9
203.05241	3.3
241.15622	3.6
245.06290	6.7
259.16672	1.7
287.03796	1.0
289.05301	52.8
441.66974	0.8
463.23691	2.4
507.22034	100.0
507.29330	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	507.2339
Annotation	Naamidine H
Peak:m/z	Relative Intensity
53.38470	0.1
54.09859	0.1
55.54383	0.1
58.06613	0.9
70.06586	0.2
79.05780	0.1
144.08089	31.4
145.08871	1.4
148.54448	0.1
158.09691	1.7
159.10445	0.2
170.09645	100.0
171.10423	24.1
187.12239	1.0
188.13069	1.0
201.13881	5.0
202.14651	14.8
221.50377	0.1
224.10597	0.2
247.72629	0.2
250.14296	0.2
255.62144	0.2
301.19089	0.8
377.20956	0.1
457.81360	0.2
463.24692	0.6
477.86386	0.1
502.56577	0.1
507.23383	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74218	0.6
53.03931	0.6
63.74962	0.6
69.03424	4.5
69.93619	0.6
71.04971	0.6
71.29372	0.6
72.08154	2.6
72.44137	0.6
73.02897	0.7
78.31062	0.6
81.03407	3.7
85.02898	7.0
87.00812	0.6
88.80540	0.6
92.17795	0.7
93.07011	1.0
97.02888	2.4
97.22903	0.6
98.09689	0.7
98.44490	0.6
99.04460	0.7
109.02881	5.2
109.69923	0.6
121.60678	0.6
127.03941	5.8
130.05573	0.9
130.06543	27.6
132.08084	1.1
144.08113	10.2
145.04933	1.1
154.06442	0.8
156.08092	3.1
158.09669	2.4
159.02885	1.2
167.07249	1.1
167.49852	0.7
168.08058	9.6
169.08900	4.7
170.09645	8.1
173.28386	0.6
174.11523	2.7
175.12383	0.7
177.05429	0.9
180.08138	3.1
181.08871	5.0
182.09637	9.3
184.11211	21.2
186.09195	2.5
194.09610	4.3
195.10448	15.9
196.11227	0.8
198.12804	13.2
208.11217	26.3
210.12781	84.4
212.10756	2.5
216.13899	0.6
228.13821	41.0
241.16983	3.3
252.06439	0.7
252.13828	0.8
259.18115	0.9
432.20288	3.1
463.24448	6.7
476.19260	8.0
507.23398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13885	0.2
51.69348	0.1
77.40999	0.2
82.61251	0.1
84.05634	18.6
140.43315	0.2
148.07591	0.3
166.08644	0.2
170.22472	0.2
179.07047	0.2
194.08113	3.5
208.10818	2.1
217.26369	0.2
226.11955	0.8
236.10332	1.9
254.11348	100.0
314.52701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18781	0.3
83.06106	3.9
84.04508	0.6
84.40570	0.3
101.07140	1.2
104.34743	0.3
105.07062	0.3
107.04934	0.3
108.87170	0.3
129.06609	17.7
133.06511	1.2
141.05466	0.4
144.64198	0.3
151.03912	100.0
153.57605	0.4
161.06000	1.4
163.03905	0.4
167.07040	39.4
181.08510	0.4
193.08597	2.2
211.09694	1.9
325.55209	0.3
357.18204	0.3
361.12863	11.9
379.13925	3.6
507.19345	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	507.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54194	0.2
55.37882	0.1
56.65941	0.2
67.05515	0.2
72.08150	0.2
72.71329	0.2
77.54528	0.2
83.06116	3.6
84.04507	0.4
96.94547	0.2
101.07143	1.2
105.07047	0.3
107.04906	0.2
129.06606	17.4
133.06503	0.9
141.05495	0.9
143.08144	0.3
149.06012	0.2
151.03908	100.0
154.77211	0.2
161.05977	0.8
167.07033	39.7
181.08624	0.8
193.08592	3.2
211.09709	2.7
297.10880	0.3
307.80551	0.2
354.19272	0.2
361.12836	9.1
379.13855	4.7
435.58896	0.2
489.18903	0.4
490.16370	0.2
507.19772	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	507.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03463	0.3
52.99406	0.4
72.08157	0.6
73.46838	0.3
75.06416	0.3
83.06123	4.3
84.04530	0.5
84.05602	0.4
85.02932	0.4
90.66805	0.3
97.05000	0.5
101.07140	0.8
129.06610	16.9
131.19803	0.4
133.06512	0.5
137.11481	0.4
140.29108	0.4
141.05450	0.5
151.03909	100.0
161.06032	0.5
167.07034	38.7
171.47452	0.4
193.08607	2.4
211.09695	1.9
226.15514	0.5
268.39655	0.4
297.22797	0.9
359.53683	0.5
361.12836	9.1
379.13876	2.8
412.84113	0.4
418.13226	0.4
466.27689	0.4
498.90405	0.5
507.19647	3.5
520.05554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.7
56.58362	1.2
57.03442	3.6
57.07076	9.6
60.08164	7.5
61.02938	3.2
67.05510	41.0
69.07072	16.0
71.07352	1.8
71.08624	3.0
74.07290	1.4
79.05506	12.8
81.07069	66.5
83.05003	1.4
83.08648	13.1
85.02908	2.4
85.10186	2.7
86.09715	21.9
91.03959	2.1
91.05505	12.6
93.07055	15.9
95.08612	61.3
97.02888	2.8
97.06539	3.9
97.10173	9.8
99.08080	7.4
104.10126	3.0
104.10752	47.7
105.07027	9.4
105.64230	1.6
107.08582	12.5
109.10170	29.3
111.08105	3.0
113.09644	3.3
119.08596	17.1
121.10148	24.0
121.49997	1.5
123.11701	17.8
125.00000	7.3
127.11193	2.4
129.05449	1.9
131.08591	1.8
133.10139	25.7
135.11705	23.3
137.09631	2.4
137.13257	16.4
141.45554	1.7
147.11726	13.2
149.13231	7.6
151.14827	12.5
155.98988	1.6
161.13257	20.7
170.50766	1.6
175.14851	7.4
184.07344	57.1
189.16371	2.6
217.19539	57.1
235.18217	3.6
235.20584	100.0
253.21695	1.7
309.24258	41.4
327.25345	31.3
353.97214	2.0
399.69873	1.7
453.08594	1.7
471.29617	7.3
488.31366	3.5
506.32281	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	506.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15559	12.1
55.05510	12.6
62.06108	29.7
66.56609	12.1
67.05490	20.4
69.07066	18.3
70.31756	12.2
72.77244	17.2
81.07055	20.6
83.08609	12.9
93.07010	17.4
95.08598	18.1
116.11951	15.1
247.27126	14.6
294.24362	14.4
365.30530	100.0
384.05643	15.1
488.31366	20.2
506.32541	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.1
57.03453	3.7
57.07077	13.5
61.02922	3.1
63.17864	2.0
67.05516	41.5
69.07085	17.8
71.08617	4.0
79.05490	10.7
81.07065	57.6
83.08614	14.6
85.02912	5.6
85.06560	3.4
85.10255	2.7
86.09735	2.7
91.05470	10.7
93.07038	12.1
95.08614	57.5
97.06500	4.2
97.10178	10.9
99.08086	5.6
105.07023	3.9
107.08593	12.2
109.10165	28.9
110.10538	2.6
111.11770	3.0
113.09666	3.2
119.08566	12.8
121.10135	22.0
123.11721	16.2
127.11223	3.1
133.10129	23.9
135.11679	19.3
137.13280	18.6
147.11696	17.5
149.13261	4.7
151.14827	9.4
161.13284	17.2
175.14836	4.7
189.16368	2.7
195.00340	22.8
205.89505	2.5
217.19516	57.5
235.20573	100.0
260.21024	2.4
309.24185	22.2
327.25272	19.7
457.38882	2.8
461.93832	2.8
488.34326	3.1
506.25479	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	506.325
Annotation	(-)-Terpendole D
Peak:m/z	Relative Intensity
51.37812	0.9
60.08173	12.9
63.93427	1.1
67.05518	1.5
71.07378	2.3
80.06814	1.1
81.07056	1.3
86.09706	40.1
95.08619	1.7
104.10755	89.8
125.00014	16.3
184.07349	100.0
358.54245	1.4
373.61722	1.4
488.31250	6.8
506.32446	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3251
Annotation	LysoPE(0:0/20:2(11Z,14Z))
Peak:m/z	Relative Intensity
50.03723	5.7
52.44812	6.0
53.81326	5.8
56.83878	6.0
57.03439	6.9
60.42588	6.2
67.05515	12.5
67.90911	6.4
69.07075	9.4
81.07071	15.5
87.40846	6.8
92.17844	19.5
95.08579	11.4
135.99290	6.4
247.04254	6.9
365.30618	100.0
392.25723	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	506.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	0.5
60.07907	0.3
60.08172	3.8
60.45310	0.4
65.41846	0.4
66.44813	0.4
67.05505	0.8
71.07355	0.5
77.03695	0.4
80.52585	0.4
81.07058	1.6
86.09711	22.4
95.08585	0.7
95.86420	0.4
96.55051	0.4
96.77242	0.4
104.10747	1.9
114.64599	0.4
125.00027	12.1
150.26978	0.5
180.33748	0.5
184.07350	100.0
305.91290	0.5
350.17126	0.5
488.31201	0.8
506.32391	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	506.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17597	0.1
55.05505	0.2
58.06609	2.5
59.79357	0.1
69.07069	1.8
70.06584	0.7
72.08152	0.8
84.08140	0.6
85.08925	2.0
86.09709	0.7
95.06097	1.1
95.08585	0.2
99.10493	0.1
103.92673	0.2
105.07031	0.3
107.08571	0.2
109.10139	0.2
113.07115	0.8
114.12807	100.0
127.03891	0.2
163.03891	0.3
166.59235	0.2
196.10866	0.2
210.12894	0.2
211.13042	0.2
223.16893	0.7
238.12326	0.3
239.12564	0.3
375.22928	0.8
403.26172	0.2
462.33093	1.1
506.32336	23.8
511.67249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39050	0.3
56.81591	0.3
58.06591	2.6
58.30633	0.3
62.17864	0.3
63.27830	0.4
66.28925	0.3
69.07061	1.8
70.06580	0.5
70.55741	0.4
72.08157	0.7
84.08145	0.6
85.08926	2.1
86.09714	0.5
95.06109	0.5
104.08222	0.4
113.07101	0.4
114.12805	100.0
115.48103	0.4
148.16948	0.4
170.09624	0.4
205.07146	0.4
238.12282	1.4
239.12646	0.6
396.46106	0.4
409.57123	0.5
462.33438	0.7
506.32361	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	506.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19991	0.6
55.01889	0.8
57.03430	2.5
61.02935	3.6
61.91113	0.5
69.03437	8.5
69.83797	0.5
70.06598	8.0
71.04993	0.9
72.08167	5.4
73.02935	1.3
81.03423	3.1
84.08150	3.9
85.02914	62.0
86.09717	0.7
87.04441	1.1
87.07973	0.6
91.03964	2.4
91.05507	1.5
95.04955	1.4
97.02907	14.5
98.06012	0.7
99.04464	4.3
103.05482	14.1
109.02893	6.9
112.11290	0.7
114.10297	1.5
121.06521	6.9
123.04437	57.8
127.03922	15.0
134.86172	0.6
139.03792	0.7
145.04968	21.4
146.05995	1.6
147.04419	100.0
163.03935	8.2
163.05974	7.2
165.05478	96.8
188.07082	6.0
189.07410	4.4
205.09779	1.0
206.10039	0.9
214.07115	0.6
220.09650	1.3
222.11330	4.1
231.06490	1.1
325.11011	5.3
402.21985	0.6
462.26172	1.1
505.74203	1.1
506.24435	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	506.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.8
66.88178	0.6
69.03437	1.0
72.08138	1.1
74.00668	0.7
76.02219	4.5
81.03395	1.2
85.02923	9.4
87.02678	0.8
97.02876	2.7
99.04468	0.9
100.02205	2.5
105.00115	1.3
109.02861	0.9
113.16248	0.7
120.01146	3.6
122.02737	28.3
127.03957	1.2
132.01161	0.8
133.02867	25.4
135.04428	0.8
137.00587	1.0
137.06007	1.4
140.05319	0.7
146.02696	9.8
153.05441	6.0
164.04660	2.8
165.00064	100.0
165.05472	53.3
167.01624	7.7
167.07039	31.5
167.91524	0.7
169.03168	4.4
173.05960	3.1
182.04057	0.7
193.03183	0.7
197.02711	18.6
199.04247	3.0
205.08612	10.8
207.10194	3.4
208.04277	2.7
208.10977	1.3
223.04332	3.0
237.05885	1.5
240.06917	6.0
268.06351	2.7
286.07446	56.1
326.10629	8.9
344.11737	5.3
361.13760	0.7
448.12662	22.2
451.77823	0.7
488.15814	7.2
506.16956	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19103	0.1
57.23537	0.1
58.06609	1.8
58.07062	0.1
61.09614	0.1
61.74675	0.2
69.07069	2.1
70.06593	0.3
72.08158	0.4
75.38824	0.2
84.08154	0.4
84.28020	0.2
85.08929	2.2
86.09713	0.8
92.17874	0.2
96.88792	0.2
104.00776	0.2
114.12807	100.0
147.04462	0.2
164.67558	0.2
297.35049	0.2
310.94376	0.2
366.27570	0.7
375.22910	1.7
488.31238	1.2
505.33862	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	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23269	4.0
58.83696	4.5
61.29272	4.1
67.05512	5.6
69.07045	5.8
80.28447	5.2
81.07056	8.6
83.08627	5.1
95.08579	6.4
98.06075	4.7
109.10196	5.9
145.02850	28.1
177.05482	100.0
195.00269	19.6
195.06471	6.3
235.61919	4.5
333.29797	38.8
377.65985	5.5
379.53900	6.2
389.86810	5.4
505.25223	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	505.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22166	0.5
52.56002	0.7
54.53281	0.6
55.05521	0.8
57.03430	0.6
58.98047	0.6
67.05500	0.8
69.07045	0.7
71.08627	0.9
74.91879	0.6
81.07015	0.7
83.00903	0.7
83.08607	1.3
84.38556	0.7
90.06351	0.7
90.36331	0.6
94.10767	0.7
97.10149	0.9
103.03655	0.6
106.74129	0.7
117.03359	3.8
140.19203	0.9
144.81689	0.7
145.02844	43.3
145.03986	1.6
149.06020	1.5
177.05460	100.0
219.08803	0.8
224.81094	0.7
394.40414	0.7
459.27121	0.8
505.31454	20.8
505.38538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80729	0.3
55.05527	3.5
57.09180	0.4
57.09590	0.4
60.99421	0.4
61.75952	0.3
65.22389	0.5
69.07068	2.4
70.06575	0.7
72.08162	49.7
73.04043	1.5
84.08155	7.3
85.04032	0.9
85.08948	0.6
86.09712	32.0
96.08133	2.8
97.06524	2.7
103.49815	0.4
112.07598	6.7
112.11251	0.4
113.10767	2.2
119.44109	0.5
135.92403	0.4
136.07587	0.8
138.12827	0.7
139.70212	0.4
140.14355	2.4
141.10226	9.8
143.11774	0.4
150.12814	0.4
152.14366	6.6
153.15106	2.7
154.15939	3.8
160.07567	2.6
165.05531	0.5
170.07397	0.8
175.57329	0.4
180.13852	2.5
182.08148	3.2
185.16537	3.3
187.11124	0.6
189.05566	3.0
189.09088	9.7
190.12343	0.6
197.16513	11.5
202.12271	19.5
206.08095	4.8
208.13261	0.6
213.09117	0.8
219.10138	1.0
219.14906	2.8
220.13391	1.7
225.15988	5.0
231.10167	26.1
233.11684	2.2
248.12808	36.5
265.15460	34.9
281.14883	2.0
324.22931	0.6
332.23444	0.7
333.21698	1.8
347.19528	4.9
361.21332	0.5
364.22330	5.1
378.23907	9.1
394.23166	0.4
406.23245	3.1
460.28159	2.5
477.30673	5.0
487.28909	0.7
488.27359	1.6
505.30197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2816
Annotation	Lotusine D
Peak:m/z	Relative Intensity
50.00812	0.9
50.37828	1.1
52.77870	1.0
59.80169	1.1
61.02039	1.2
82.51203	1.2
84.04510	2.3
102.26233	1.3
104.29812	1.3
105.07040	8.8
107.04929	1.3
122.09647	6.6
131.07304	1.4
139.88802	1.4
144.08049	3.2
157.08942	1.5
162.58487	1.5
167.07288	1.7
170.09712	1.7
181.08873	15.6
182.09636	16.6
183.10515	6.1
184.11205	3.0
187.12476	1.4
188.10678	1.7
195.10452	18.3
196.11194	5.9
197.08372	3.2
198.12799	5.0
205.08894	2.5
210.12784	63.5
212.10678	24.3
212.14400	1.6
220.11243	5.1
223.09886	8.5
226.12254	14.0
233.12917	1.4
234.11314	2.0
238.12263	100.0
255.14966	17.4
256.13260	2.7
367.92172	1.3
462.23795	2.7
474.56366	1.4
488.25439	33.3
505.28128	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53957	2.3
55.05510	11.8
57.03442	3.6
57.07072	3.3
61.02919	3.3
67.05505	21.0
68.86204	2.6
69.03428	15.4
69.07076	25.9
70.06590	6.2
71.05001	24.7
72.08136	13.9
76.59898	2.4
79.05502	5.0
81.03419	13.5
81.07080	46.9
83.04984	3.4
83.08622	4.6
85.02920	34.0
85.06548	85.9
85.41863	3.0
86.09715	6.2
87.00831	13.1
87.04469	3.6
92.18490	3.2
93.07060	22.7
95.08610	100.0
97.02908	9.7
97.06538	61.2
97.10194	3.2
99.04449	4.2
99.08100	22.7
105.01865	13.3
105.07014	19.4
107.08608	36.7
109.02856	6.8
109.10168	51.9
111.08076	11.9
119.08598	32.4
121.10146	65.8
123.08016	2.6
123.11704	22.7
125.09665	5.5
127.03909	18.5
127.11199	82.6
133.10149	19.8
135.11693	21.9
137.13249	14.9
139.11177	19.1
139.98094	2.8
141.12778	5.3
144.08067	6.1
145.04951	4.0
147.11717	28.2
157.12218	21.7
161.13258	14.2
163.14838	18.1
165.12729	5.7
170.09659	13.0
175.14856	5.0
177.16403	4.6
186.09148	5.5
187.09706	6.7
191.17943	6.2
203.17967	34.9
204.18213	4.1
209.19077	5.5
219.14371	3.3
221.18956	41.9
227.20023	4.8
239.20062	68.9
248.12778	3.8
257.21173	52.1
265.15479	3.3
313.23904	3.2
438.49985	3.1
505.24277	5.9
505.25507	5.5
505.30872	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19266	0.3
55.20847	0.2
55.76064	0.2
58.06598	0.4
59.17598	0.3
69.52449	0.3
71.48158	0.3
72.08178	0.4
74.46497	0.3
81.29295	0.3
101.68021	0.3
110.91989	0.3
135.17151	0.3
144.08099	28.8
145.08838	0.6
158.09634	1.6
159.10385	0.5
170.09653	100.0
171.10432	21.1
187.12288	1.3
188.13081	0.4
198.48596	0.3
201.13901	4.1
202.14671	14.6
209.08057	0.4
290.95514	0.3
297.07547	0.3
325.07013	0.4
505.21780	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	505.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.5
70.06596	36.2
72.08170	5.0
84.04520	2.3
84.08144	4.1
85.02892	1.4
86.09705	0.6
102.05537	2.3
114.10238	0.6
115.08683	2.7
118.06550	2.2
123.04438	0.8
125.26510	0.7
129.10229	8.3
132.08112	1.1
141.10266	6.9
144.08080	6.1
146.06013	43.5
147.04387	1.1
155.08165	2.4
155.11670	0.7
159.09190	4.7
163.03922	7.5
169.09720	7.3
170.05991	1.0
173.09233	5.7
183.07678	0.9
188.07066	100.0
201.08731	1.3
203.10277	6.1
205.09731	41.6
226.11952	0.9
226.15475	6.6
228.13510	0.9
240.13419	1.1
272.12543	1.3
279.18295	1.0
297.19321	1.4
368.22714	0.7
369.18060	0.8
369.71130	15.0
405.23077	2.3
422.20187	1.4
461.24911	0.7
499.28510	1.4
505.18393	1.1
505.25726	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	505.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32284	0.5
51.90985	0.5
53.45691	0.5
69.03442	0.7
81.51305	0.5
85.02901	3.0
91.05466	0.9
97.02890	0.6
97.82085	0.5
103.05471	2.5
105.07049	0.6
115.05440	0.7
117.07001	0.6
119.08557	5.1
121.10144	3.1
122.03631	2.0
127.03923	0.7
129.06995	1.1
129.24625	0.5
131.04933	12.5
132.05714	0.9
137.05986	66.7
144.08119	2.0
145.06425	0.7
145.08421	0.9
147.08037	5.8
151.03915	0.7
151.07631	0.9
157.06497	0.9
160.05173	1.3
161.05966	2.0
163.07538	26.4
169.06471	2.5
170.09688	4.1
171.10110	0.9
172.10674	0.9
175.07544	100.0
181.31856	0.6
186.06886	1.8
187.07571	3.2
188.08357	0.8
189.09117	1.2
201.09109	3.1
203.15131	0.5
212.10684	3.1
213.11055	3.6
217.08592	1.0
233.09654	1.0
236.15100	0.6
238.12350	0.8
239.12674	0.6
261.09161	0.6
265.12280	0.8
293.11700	1.0
310.11945	0.5
325.14310	17.7
343.15421	14.4
359.11670	0.6
367.15280	0.9
415.19568	0.8
505.31778	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	505.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41616	0.4
52.88861	0.4
55.01880	0.6
55.05527	10.0
56.05048	0.4
69.03410	0.7
69.05797	1.1
70.06248	0.5
70.06598	13.9
72.08162	27.2
76.37243	0.4
84.04507	0.8
84.08147	1.8
85.02911	0.7
86.09682	1.0
89.10799	3.5
90.02634	0.4
95.21487	0.5
98.06062	72.1
99.09198	1.8
110.06069	0.4
114.10300	0.6
115.08696	56.3
116.07050	0.7
120.08150	0.5
121.10032	0.6
123.04433	2.0
127.08675	2.0
129.10217	0.7
135.04404	0.9
136.05125	1.1
137.05995	0.6
147.04376	0.9
151.03947	0.6
161.02321	0.5
163.03902	14.6
164.04617	1.1
167.07028	0.6
175.03900	0.5
177.05377	1.8
178.05060	0.7
191.03465	0.6
201.05478	1.8
202.12218	0.5
217.05054	0.8
219.02933	0.9
221.10411	0.9
226.04672	0.5
230.29570	0.4
232.09598	1.7
233.10339	3.7
234.11252	8.9
236.10242	1.1
249.12363	1.9
250.13086	6.3
251.13864	1.1
257.08078	2.1
261.17178	0.7
263.06937	0.7
267.04990	3.1
283.06113	0.5
284.10297	0.6
290.15082	0.6
299.09387	0.5
307.17215	0.6
309.07523	0.6
311.09232	0.7
325.07166	0.6
327.08557	1.0
337.06985	0.6
374.08466	0.5
389.08560	2.4
415.18423	0.7
443.18103	0.8
505.18082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62185	0.4
52.68035	0.4
55.05524	8.7
59.30722	0.5
69.03383	0.5
69.05782	2.4
70.06597	13.2
72.08161	27.7
84.04469	0.9
84.08141	0.6
85.02861	0.8
86.09677	2.6
89.10765	1.3
97.07629	0.6
98.06059	69.0
99.09214	0.8
105.07027	0.8
114.10297	7.0
115.08698	60.1
121.02853	0.8
123.04417	1.3
127.08620	3.0
131.04941	6.0
135.04414	1.1
136.05180	0.7
137.05908	0.7
144.08018	2.7
147.04341	3.3
162.03108	0.8
163.03899	8.9
164.04552	1.0
164.07047	0.8
173.05928	0.5
177.05417	2.7
191.03419	0.8
191.07098	0.7
192.10136	0.8
201.05409	1.2
201.13812	3.6
202.12233	5.1
207.02798	0.7
217.04979	0.8
221.10367	1.4
232.09540	0.8
233.10335	3.2
234.11255	8.0
244.14342	3.2
249.12265	1.3
250.11075	0.7
250.13145	12.0
251.13728	0.9
257.08020	1.1
261.17093	5.7
267.04901	2.7
307.12909	0.7
309.07303	0.8
327.08432	2.2
337.06693	1.0
389.08420	2.9
443.17752	1.3
488.14969	0.6
505.17746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61863	1.9
55.01885	4.6
64.34102	1.9
65.03929	3.2
69.03433	4.9
70.14304	2.1
79.38534	2.2
85.95515	2.3
91.05476	3.6
105.03374	2.7
105.07054	3.2
111.04400	2.6
123.04420	5.0
124.05225	3.2
127.03890	4.6
133.02814	4.0
133.06488	13.3
137.06018	26.5
140.04689	3.2
147.04399	2.9
147.08015	3.7
148.05215	4.2
149.05997	3.0
151.07590	4.7
153.05466	21.9
155.07016	3.2
160.07578	4.5
161.05960	8.9
163.07549	3.4
165.05470	28.3
166.06203	3.5
167.07027	10.5
170.09615	5.4
175.07520	5.1
176.04602	2.9
177.05472	12.7
179.07025	10.3
180.07814	27.1
181.04958	100.0
184.04564	3.0
186.09180	14.7
187.09572	10.8
188.10255	2.6
189.05478	8.9
191.07120	8.4
193.04950	9.5
193.08566	5.6
197.08153	3.2
205.08633	2.9
207.06584	12.1
208.07330	52.2
219.06503	2.7
221.08032	10.2
225.07597	63.8
226.08347	17.5
233.08038	5.7
236.06783	14.7
247.06114	16.3
251.09106	96.5
279.08658	97.7
445.42957	2.7
505.17215	11.9
505.26926	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	505.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41557	0.1
63.02348	0.1
68.26247	0.1
69.03429	1.2
72.08124	0.1
73.02914	0.6
81.03429	1.1
84.08189	0.2
85.02902	1.3
89.03891	0.5
97.02893	0.3
98.07189	2.2
107.04947	0.2
109.02868	0.8
116.06986	0.1
117.03411	1.1
123.05573	0.5
124.03852	0.1
127.03914	0.6
135.04404	3.8
136.06229	1.3
137.06566	0.5
143.06895	2.7
145.02849	6.0
163.03905	100.0
177.76875	0.2
178.04967	0.5
178.19614	0.2
179.05289	0.5
180.28603	0.1
181.04977	1.3
243.96552	0.1
253.10539	1.2
273.16223	0.1
307.08115	2.6
325.09207	4.9
400.73065	0.2
487.14450	1.8
488.15909	0.7
505.18243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38611	17.7
53.10630	18.2
54.79981	18.4
59.04243	19.6
59.64871	19.3
60.44564	18.8
67.05508	83.8
72.91635	22.4
81.07063	97.9
93.07030	78.4
95.08620	41.4
107.08588	32.2
107.33309	23.1
119.08560	33.2
121.10139	49.0
131.08537	26.6
133.10089	31.4
135.11710	40.9
147.11679	23.7
149.11290	18.9
159.11694	33.3
184.07379	27.1
215.17981	48.6
233.19019	90.5
325.23788	100.0
337.74545	22.4
414.87338	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	505.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
58.74636	0.1
61.02916	0.3
66.40845	0.2
69.03419	1.1
70.38708	0.1
75.55801	0.1
81.03419	1.0
85.02416	0.2
85.02912	5.5
86.33971	0.2
87.04463	0.2
89.03907	0.8
91.03946	0.2
97.02901	1.5
99.04446	0.3
101.02419	0.2
107.04971	0.2
109.02865	0.4
117.03340	1.7
127.03913	1.2
132.65654	0.2
135.04420	4.6
145.02843	7.8
145.04973	1.0
146.23222	0.2
163.03897	100.0
325.09131	2.7
334.36182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	35.9
79.05495	28.6
81.07068	48.7
83.08642	4.9
85.06537	5.2
91.05458	7.9
92.17776	7.7
93.07058	46.7
95.08605	29.9
97.06571	5.6
101.71056	3.8
105.07051	10.4
107.08604	30.5
109.10161	30.0
117.07052	5.7
119.08587	7.4
121.10159	37.2
123.11731	9.1
131.08578	24.1
133.10164	11.2
135.11702	44.9
138.49065	5.0
139.86589	5.4
145.10118	19.5
149.13257	25.4
149.16473	4.4
159.11719	26.8
173.13258	19.4
195.62364	4.7
215.17967	53.8
233.19005	100.0
266.37637	4.6
270.07642	4.3
307.22626	6.1
318.82904	5.7
325.23709	65.8
468.60919	4.5
479.07468	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	504.3084
Annotation	Sulpinine A
Peak:m/z	Relative Intensity
55.05503	3.4
55.64013	2.6
58.29334	2.8
60.39025	2.8
62.06101	39.3
67.05502	21.0
67.11261	3.4
68.23019	3.0
69.07053	13.3
69.97048	3.1
79.05479	6.4
81.07061	35.5
83.08628	5.6
87.86184	3.4
91.05450	5.8
92.17796	4.5
93.07046	22.1
95.08628	31.1
97.06541	7.8
98.98449	13.7
105.07053	5.0
107.08605	14.0
109.10201	6.1
119.08563	6.7
121.10141	21.6
129.05502	5.5
133.10156	4.5
135.11696	5.0
145.10155	5.1
156.73940	4.1
171.89510	3.4
223.47670	3.4
227.13663	3.4
289.25198	6.0
332.29440	12.7
363.28949	100.0
486.29831	56.3
504.30768	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	504.309
Annotation	LysoPE(0:0/20:3(5Z,8Z,11Z))
Peak:m/z	Relative Intensity
55.01891	1.8
55.05523	6.4
57.03449	6.2
57.07065	0.9
65.46161	0.9
67.05177	1.3
67.05511	22.2
69.07080	8.7
73.02914	1.2
74.11495	0.9
74.27298	0.8
79.05502	9.0
81.07063	26.1
83.04987	1.3
83.08619	2.1
91.05476	5.3
92.62222	0.9
93.07047	14.9
95.08613	22.3
97.06522	3.9
97.10165	1.3
105.07043	3.8
107.08604	12.9
109.10168	8.9
109.87479	0.9
117.07015	1.7
119.08565	5.1
121.10142	15.5
123.08031	0.9
123.11687	1.8
129.05504	9.0
131.08563	5.4
133.10138	3.8
135.11688	6.7
145.10146	3.6
147.11633	1.0
149.13330	1.3
159.11711	3.4
173.13248	1.7
205.19568	3.3
271.24271	1.4
332.29306	3.3
363.28964	100.0
368.68015	0.9
504.30832	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	504.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80684	0.4
58.06609	4.8
58.14969	0.5
58.63749	0.4
60.08178	0.5
70.06552	0.8
71.00085	0.4
71.27989	0.5
72.08147	0.6
73.44587	0.4
74.18499	0.4
84.08137	5.4
85.02899	0.7
87.04469	2.1
103.03938	1.0
112.86166	0.5
116.05021	0.5
116.10736	0.8
126.91666	0.6
131.07318	0.7
139.65694	0.4
144.08084	11.6
144.10243	0.5
145.08867	3.3
157.08861	3.3
158.09662	0.9
170.09673	1.2
174.14922	3.1
181.08862	0.8
182.09621	5.2
183.10451	3.0
184.11208	7.5
194.09668	0.5
195.10492	2.4
196.11313	1.0
197.08372	10.3
198.12842	2.4
210.12770	18.0
211.09859	0.8
212.10706	71.7
212.51103	0.6
226.12273	9.3
236.14969	9.3
238.12245	19.0
256.13409	2.4
273.19370	2.5
349.67111	0.5
360.18338	0.7
370.20322	0.7
386.19650	9.2
388.17633	2.1
402.19180	0.6
414.19113	20.0
417.23843	0.9
445.23343	1.9
447.24817	3.0
460.31741	2.9
504.30701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
55.33477	0.5
55.33743	0.5
61.02926	0.6
62.16471	0.5
68.16230	0.5
69.03436	0.9
70.06595	0.8
71.08634	0.8
72.08151	0.7
73.78491	0.5
81.07069	0.8
84.08066	0.8
84.65624	0.6
85.02908	4.0
86.06074	5.9
92.99606	0.6
95.08626	0.7
97.02895	2.2
98.09669	2.0
99.08102	2.6
101.06013	3.3
105.07024	0.7
109.02924	0.8
109.10098	0.6
111.04448	2.4
116.10735	10.5
116.22072	0.6
119.08592	0.9
121.10092	0.9
123.04428	0.6
127.03884	2.4
129.05482	0.9
132.99477	0.5
133.10118	1.2
142.08627	2.2
143.10632	1.3
147.04462	0.7
147.08003	0.8
147.11716	1.1
154.15965	2.4
163.03900	2.2
163.73332	0.6
166.15976	0.9
173.08101	1.3
181.36298	0.5
196.17036	6.1
203.17897	0.6
208.13280	0.7
214.18022	100.0
221.15407	2.3
222.11345	1.0
226.14394	7.5
244.15451	16.6
342.22754	26.0
342.26767	1.2
367.58340	0.5
376.23318	10.5
406.21091	1.7
504.28564	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	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
63.16607	0.8
67.05500	6.0
69.03439	6.4
69.07078	3.7
70.99183	0.8
71.87931	0.8
72.10144	1.0
73.14832	0.8
79.05502	1.6
81.03422	3.8
81.07065	30.8
83.08631	1.6
84.90153	0.9
85.02898	19.1
87.00818	6.9
91.05468	3.7
92.17828	1.0
93.07047	11.4
95.08611	38.7
97.02898	6.8
97.06509	1.3
97.10158	1.0
99.04463	1.2
103.59521	0.8
105.01875	13.8
105.07037	18.5
107.08611	20.4
109.02875	5.7
109.10166	25.6
114.10313	1.2
119.08579	17.4
121.10149	10.1
123.11704	5.7
127.03904	13.8
133.10124	12.1
135.11714	4.8
137.13246	0.8
145.04967	4.8
147.11690	28.3
159.02933	1.7
159.11676	1.1
161.13298	9.5
163.14819	18.5
164.04185	0.8
168.85602	0.9
175.14839	4.7
185.42381	0.9
201.16327	1.0
203.17958	100.0
221.19031	10.3
231.04999	6.2
249.06090	4.4
284.09805	1.3
451.23001	1.3
504.29181	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81038	2.5
51.33414	2.3
52.18223	3.0
54.53133	2.4
55.05514	4.5
66.89517	2.8
67.05525	9.2
67.56545	2.3
69.07069	11.5
77.88180	3.1
79.05495	3.5
81.07080	47.8
81.21071	2.5
83.08610	2.7
85.02926	2.8
91.05492	17.0
93.07053	100.0
95.08597	31.5
97.10159	5.0
105.07045	40.8
107.08601	37.8
109.06564	2.9
109.10172	53.0
111.08124	20.1
119.08590	27.0
121.10158	29.2
123.11707	15.5
133.10149	16.5
135.11693	39.5
147.11688	49.0
161.13283	14.8
175.14844	3.5
203.17984	50.1
221.19064	16.6
278.49408	3.2
283.49939	3.4
454.63455	2.8
487.39389	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	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.8
56.41208	1.5
60.35894	1.8
67.05511	16.8
69.03426	8.2
69.07061	11.7
79.05495	3.7
81.03421	3.9
81.07070	37.5
83.08631	2.4
85.02918	22.1
87.00854	3.5
91.05471	9.3
93.07056	45.0
95.08614	47.1
97.02898	10.5
97.10179	2.9
103.69115	2.0
105.01859	10.9
105.07059	33.2
107.08611	38.5
109.02876	11.7
109.10168	70.4
111.08074	7.3
119.08603	28.3
121.10149	21.1
123.11738	10.1
127.03928	16.2
133.10114	18.6
135.11691	26.3
139.07332	1.8
144.46568	1.9
145.10100	1.9
147.11702	53.7
161.13257	11.5
162.05016	2.0
163.03976	2.6
172.81303	1.9
175.14816	3.8
202.74510	2.2
203.17982	100.0
221.18968	19.9
225.10175	1.9
231.04979	4.0
288.03973	2.2
469.24231	2.2
504.26926	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	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16092	0.6
53.03954	1.4
53.94397	0.6
55.01878	3.1
57.03448	0.9
57.07079	0.8
61.02928	0.8
62.20271	0.6
64.27597	0.7
67.05513	1.7
69.03441	9.2
69.07056	3.0
71.05000	1.1
72.08133	0.9
73.02920	4.6
75.39316	0.7
79.05498	1.0
81.03429	7.5
81.07061	9.3
85.02911	36.7
87.00831	11.2
91.05471	3.4
93.07056	6.2
95.08611	14.5
97.02898	19.8
97.06524	1.5
99.04449	6.7
105.01870	19.4
105.07044	14.5
107.08594	7.3
109.02887	16.5
109.10157	15.9
115.03931	1.2
119.08575	13.1
121.10162	14.1
123.11740	5.3
127.03923	27.4
129.01849	3.1
130.59753	0.8
133.10124	12.2
135.11732	2.9
138.42857	0.7
145.04964	11.7
147.02864	1.0
147.11696	44.9
149.13206	1.2
155.61792	0.7
159.02905	9.8
161.13234	7.3
161.86833	0.8
163.14836	0.9
165.12758	0.9
170.08092	0.9
172.17296	0.7
175.14806	1.8
179.94763	0.7
180.99866	0.8
203.17963	100.0
205.19472	0.8
221.15430	1.8
221.18974	11.7
231.04967	5.2
248.11855	0.7
249.06012	1.2
451.23410	2.9
469.24219	1.7
486.27213	1.2
504.28650	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	504.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85641	0.5
55.73954	0.5
58.06599	0.9
58.14591	0.5
70.06585	4.0
72.08158	16.4
79.12601	0.6
79.63494	0.5
84.08143	1.3
100.07614	4.2
112.11237	4.7
113.07130	5.7
123.04428	12.5
129.13863	1.0
137.06000	1.4
137.53069	0.6
145.02847	1.2
151.05159	0.6
153.05469	3.0
155.11783	44.4
162.05788	0.6
163.03900	38.2
165.05463	13.3
172.14447	11.0
193.04961	0.8
202.95204	0.7
219.11272	0.6
220.09680	46.3
222.11247	70.0
227.13933	0.7
234.11270	2.5
236.12802	13.2
239.13925	1.3
252.12189	1.1
293.18610	13.7
310.21185	15.8
319.16623	1.0
336.19272	5.5
455.21985	0.8
460.05072	0.8
472.24411	38.0
495.21512	0.8
504.27020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49450	0.3
58.06596	2.0
70.06583	1.2
72.08158	9.1
76.91769	0.3
77.96120	0.3
84.08125	0.7
92.17887	0.5
100.07619	28.4
112.11252	3.5
114.09155	1.6
123.04421	10.7
123.05263	0.6
128.34409	0.3
129.13864	0.6
136.07568	0.3
137.05992	0.8
153.05463	40.2
164.06978	0.3
165.05469	13.4
170.09570	0.5
191.95776	0.3
195.06535	3.3
197.12596	0.4
221.12852	1.5
222.11250	52.5
230.16704	0.4
236.12794	3.4
237.09763	0.8
243.27567	0.3
249.20062	0.3
251.13942	0.4
252.12296	49.2
266.13895	4.1
293.18594	2.2
310.21048	1.3
323.19598	0.4
486.25885	0.7
487.24313	0.6
495.21732	0.6
504.27032	100.0
525.18237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
63.50418	0.3
68.89725	0.4
72.08164	6.7
83.04992	4.2
84.05633	37.7
85.06425	0.4
89.10800	1.5
90.83133	0.4
111.04463	2.0
120.08098	14.3
127.22907	0.4
131.04842	0.6
143.06906	0.5
148.07607	3.9
163.03894	8.4
166.06166	0.5
166.08623	8.9
176.07040	1.6
177.05452	3.5
178.09752	0.9
180.06558	2.1
194.08109	27.9
208.10817	7.2
209.08093	0.7
210.12489	0.6
221.85213	0.4
222.08737	6.2
226.11876	1.5
233.12946	0.6
234.11308	1.9
236.10295	17.8
236.12683	0.7
240.09839	1.9
251.13951	0.5
254.11343	62.2
280.11765	1.3
284.13083	0.4
307.17618	0.5
330.13193	0.7
336.12271	0.6
340.71826	0.4
353.15103	0.7
365.12418	2.8
372.15582	1.6
374.12262	0.7
383.13443	0.7
398.13446	0.9
416.14551	18.4
469.20374	0.5
486.23575	0.9
504.24524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06211	0.1
70.06598	0.2
72.93046	0.1
76.84019	0.2
77.03921	0.3
79.05491	1.0
86.09727	0.6
91.37396	0.2
94.76294	0.2
95.04948	0.3
99.22504	0.1
102.05591	0.1
103.05474	0.9
105.07037	100.0
122.09670	64.8
163.11069	0.2
168.78732	0.2
175.64664	0.1
194.46114	0.2
194.48370	0.2
237.06001	0.1
275.21661	0.2
294.52243	0.2
352.11014	0.3
438.18817	0.2
442.10632	0.3
504.24567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
56.35474	0.2
60.95304	0.2
68.13371	0.2
69.03423	1.0
81.03428	0.4
83.04991	0.4
85.02924	1.8
85.03356	0.2
87.00820	0.4
91.07583	0.3
97.02884	0.4
103.05482	1.8
105.01890	1.3
107.04937	0.4
109.02879	0.4
111.04425	0.3
120.08105	100.0
127.03942	1.5
131.04933	3.6
139.47528	0.2
140.14659	0.2
145.04926	0.3
145.07303	0.2
149.05992	2.4
159.04295	0.2
166.08632	49.6
181.08485	0.2
194.08163	0.3
231.05035	0.9
266.41531	0.2
303.10803	2.3
304.17532	0.2
321.11823	0.5
321.52942	0.2
326.26099	0.3
339.13019	0.2
504.23990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25209	0.3
53.42575	0.4
54.02902	0.4
55.05503	0.5
57.03426	2.3
58.06593	0.7
63.33031	0.4
69.03410	0.8
70.06586	7.6
71.01335	0.4
72.07809	0.6
72.08160	10.9
73.02908	0.8
76.88754	0.5
78.03459	0.5
79.37948	0.4
80.04992	0.8
84.05614	0.5
84.08129	3.7
85.02898	2.1
86.09719	0.6
87.04472	0.6
92.18474	0.9
97.02899	1.0
100.07616	3.0
106.02915	3.0
112.11250	3.0
112.55558	0.5
113.07133	0.9
115.03936	2.4
123.05555	100.0
129.10242	0.6
131.12949	0.5
133.04990	2.0
136.05180	1.0
136.06192	24.9
137.06010	3.5
145.02893	1.0
152.07089	5.7
153.05432	0.8
153.07426	1.1
155.11784	13.0
163.03899	13.8
164.04276	0.9
165.05472	1.1
172.14511	2.1
174.05539	0.8
178.05014	0.5
179.07121	1.1
194.08217	1.8
196.07664	0.4
202.05045	3.3
219.07700	2.2
220.06297	3.6
220.09674	14.3
220.11584	0.8
222.11259	5.9
223.11658	2.8
232.08286	0.6
232.77243	0.5
234.11525	0.5
236.12863	2.2
250.14536	3.1
251.13884	0.8
252.12303	0.8
255.09761	9.9
257.66943	0.5
307.20282	0.9
324.22858	3.7
326.12402	0.9
355.11496	5.5
372.14099	3.2
486.26508	4.2
487.15997	4.8
495.21906	1.1
504.19522	1.0
504.27536	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	504.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53173	0.8
55.01869	6.4
55.30224	1.0
57.03441	9.3
61.02916	1.0
69.03413	2.5
70.06595	2.0
71.01365	1.7
72.08155	7.3
73.02913	6.6
82.09106	1.0
84.05624	1.3
84.08144	24.5
85.02899	11.9
85.08478	5.6
87.04449	2.3
96.04416	1.1
97.02896	2.6
101.54501	1.2
103.03930	2.5
106.02901	8.4
115.03926	12.1
123.05556	46.6
124.03972	4.3
133.04980	16.2
136.03946	15.1
136.06186	100.0
137.05965	1.2
149.07111	1.7
153.06621	1.3
155.73366	1.0
160.03961	1.4
163.03891	2.5
164.04204	1.4
173.21721	1.3
174.05449	2.6
176.05719	1.2
177.06618	1.7
178.04988	40.6
178.07228	18.0
194.06670	1.3
202.04979	6.7
219.07683	1.6
220.06026	11.8
234.11192	1.2
236.12813	2.0
237.08646	9.8
237.13159	2.1
255.09702	2.6
265.15332	8.1
266.15796	8.9
294.11292	1.8
310.09119	5.5
311.12711	1.8
319.09305	11.1
336.12354	10.0
352.10107	1.9
353.15048	13.6
355.11496	26.7
369.12897	6.2
372.14331	2.3
472.23819	17.1
487.15692	20.8
504.18283	42.4
504.25565	4.3
505.16660	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	504.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	5.1
63.44745	0.4
65.03950	0.9
65.28429	0.4
67.05499	2.0
69.03443	4.0
70.06578	0.6
76.02219	1.0
83.04987	30.6
84.04532	0.7
84.05624	4.5
85.02908	0.8
91.05481	0.9
93.03418	6.5
97.25736	0.5
103.05474	3.9
103.81892	0.5
106.86524	0.5
107.04946	3.0
111.04443	17.8
116.01680	0.5
117.03379	0.6
119.04915	0.8
120.08105	49.7
121.02868	37.5
121.03741	0.4
121.06494	5.8
131.04930	10.1
135.04445	0.5
137.05997	3.4
139.03918	21.5
145.02829	0.7
147.04398	1.1
148.07518	0.7
149.05992	13.4
157.04965	2.4
159.04413	10.3
162.02153	0.8
163.03879	2.9
165.05496	1.2
166.08641	27.3
167.07031	0.9
177.05475	100.0
194.08138	2.1
197.08104	2.4
209.08099	52.0
210.75198	0.6
221.19293	0.7
222.08821	0.7
236.10251	2.3
254.11342	5.6
290.11655	0.7
294.11267	0.7
308.09219	2.9
318.11359	0.9
336.12323	5.1
347.11374	2.3
353.14960	4.7
365.12183	2.9
383.13477	1.1
416.14389	2.2
504.15942	1.0
504.24448	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	503.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77271	0.3
55.01885	0.4
55.05503	0.9
57.03444	0.9
60.05577	0.4
67.05498	3.0
69.07079	1.9
79.05504	0.7
81.07062	4.3
83.08629	0.8
89.03928	0.6
93.07026	1.1
95.08606	4.1
105.07048	0.6
109.10146	1.5
117.03389	3.8
123.11759	0.5
135.04472	0.6
145.02864	43.0
149.06000	1.9
177.05476	100.0
190.22203	0.4
208.98616	0.5
353.13901	0.9
358.71490	0.5
503.30002	34.6
520.57312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25220	0.3
51.38340	0.3
54.88981	0.3
58.06584	0.5
68.80950	0.3
70.06567	1.5
71.85723	0.4
72.08151	2.6
87.97704	0.4
108.76173	0.4
144.08092	24.2
148.53716	0.4
158.09677	1.9
162.46619	0.4
170.09644	100.0
171.10423	26.1
187.12325	0.9
191.80675	0.5
201.13847	5.0
202.14645	17.2
290.69205	0.4
308.05704	0.5
323.08075	0.5
355.10983	1.6
464.54660	0.4
503.26587	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19611	0.4
50.55413	0.4
50.68853	0.5
55.05503	0.8
58.06599	0.7
66.33430	0.4
66.92323	0.5
67.05522	0.5
69.07061	0.7
70.06249	0.8
70.06599	19.1
72.08162	22.6
81.07068	1.0
84.08124	1.2
86.09295	0.6
86.09706	10.9
96.08118	2.2
97.06534	0.6
112.07586	2.2
119.08565	0.6
121.10126	0.7
133.10086	0.5
137.05934	0.5
138.12772	0.7
141.10208	3.2
144.06967	0.9
144.08095	27.8
152.14441	0.8
153.15125	0.6
158.09598	0.9
161.13275	0.7
170.09648	100.0
171.09001	1.2
171.10417	24.3
173.09798	0.5
180.13762	0.7
189.09087	2.5
197.16440	1.1
201.13837	4.5
202.12286	6.4
202.14622	17.1
221.12654	0.5
225.15979	0.7
231.10219	4.5
237.18521	1.1
248.12758	5.5
255.19362	0.9
265.15503	3.2
291.13324	0.6
345.18185	5.2
357.55426	0.6
362.20746	1.2
378.23886	0.9
409.98611	0.6
425.45560	0.6
458.25958	0.7
467.40027	0.6
475.29211	1.0
503.26920	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98159	0.3
57.03878	0.3
58.06567	0.4
67.00372	0.3
72.08131	0.6
88.74417	0.3
128.04071	0.3
144.08095	28.8
145.08853	0.7
146.34142	0.4
158.09669	1.7
159.10446	0.4
170.09650	100.0
171.10429	26.6
187.12245	0.4
201.13879	5.7
202.14653	18.0
296.47577	0.4
402.43423	0.3
474.34775	0.3
503.26563	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2668
Annotation	Tiegusanin A
Peak:m/z	Relative Intensity
58.06577	1.2
58.79104	0.2
84.86478	0.2
93.40585	0.2
96.81393	0.2
112.25472	0.2
115.22227	0.2
115.87222	0.2
122.25641	0.2
159.06870	0.2
160.07578	36.6
160.25494	0.2
161.08342	1.1
170.09627	1.4
174.09151	1.4
175.10004	0.3
180.07767	0.2
186.09149	100.0
187.09932	28.3
193.08136	0.2
202.10991	1.4
203.11865	0.6
217.13353	5.9
218.14151	16.5
243.48177	0.2
317.18588	0.4
336.15985	0.2
359.83926	0.2
371.75345	0.2
503.26569	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42099	0.5
63.44897	0.4
69.90296	0.5
70.06603	0.5
72.73328	0.6
77.98427	0.5
137.05991	0.7
144.08090	28.1
145.08934	0.6
158.09659	1.2
170.09648	100.0
171.10416	20.2
201.13873	5.3
202.14650	16.6
502.84665	0.8
503.26633	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15136	0.1
58.06594	0.3
70.06573	0.8
70.14790	0.2
70.19218	0.2
71.36015	0.1
72.08152	0.3
112.33341	0.2
124.88916	0.2
144.08084	24.9
145.08858	0.9
158.09645	1.6
159.10468	0.3
170.09637	100.0
171.10413	25.0
186.11523	0.3
187.12262	0.8
193.37422	0.2
201.13867	4.9
202.14639	18.1
207.06522	0.8
222.11359	0.2
230.43767	0.2
283.18161	0.2
301.19061	0.3
331.21811	0.2
442.70947	0.2
503.26547	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2655
Annotation	Tiegusanin A
Peak:m/z	Relative Intensity
52.36147	0.0
58.06610	1.1
66.44451	0.0
70.06589	0.1
72.08154	0.1
88.11201	0.0
95.95683	0.0
98.05994	0.1
118.04662	0.0
121.02863	1.0
124.96340	0.0
130.06526	0.1
144.08087	0.6
147.06757	0.2
157.08804	0.1
158.09680	0.1
159.06781	0.2
160.07578	36.7
161.08350	1.0
163.04079	0.0
170.09654	1.7
171.10402	0.1
171.14861	0.1
172.07570	0.1
173.08287	0.0
174.09142	1.6
175.09903	0.3
185.08278	0.1
185.10782	0.0
186.09149	100.0
187.09923	29.0
188.10667	0.2
191.07097	0.1
192.07721	0.3
193.08105	0.2
194.08331	0.1
197.08234	0.1
199.14287	0.2
199.46509	0.0
200.11021	0.1
200.13084	1.6
201.13971	0.1
202.10992	1.7
203.11749	0.8
212.10709	0.2
217.13365	5.5
218.14151	16.3
219.14929	0.1
240.13950	0.0
268.13684	0.1
286.14056	0.0
299.17618	0.1
302.34888	0.0
317.18628	0.5
503.26559	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87905	0.4
58.06595	0.9
72.08111	0.6
102.11832	0.4
119.32761	0.5
119.63033	0.5
131.04875	0.9
132.05679	0.5
134.40195	0.5
137.05966	3.4
147.06493	0.5
160.07581	34.8
161.05838	0.9
163.07594	0.6
167.06943	0.7
170.09708	1.8
174.09142	1.8
177.05440	0.5
186.09146	100.0
187.09933	30.2
189.12802	0.6
191.07077	1.0
192.07802	5.5
193.08076	3.6
194.08359	1.1
202.11052	1.0
212.58813	0.5
217.13379	6.1
218.14140	15.4
221.15775	0.5
310.81360	0.5
315.08865	0.9
323.08221	0.7
355.10675	0.9
363.80981	0.5
415.13126	1.1
503.26721	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85337	0.4
58.06614	0.8
58.39853	0.3
58.50532	0.3
59.17685	0.4
61.22487	0.3
61.23542	0.4
63.32746	0.3
70.06579	0.5
71.13838	0.3
72.08150	0.4
88.98011	0.4
93.07043	0.5
103.40879	0.4
105.07050	0.5
116.13561	0.4
119.08638	0.4
130.74306	0.3
135.11809	0.5
144.08099	26.0
145.08894	0.9
158.09698	2.1
160.07585	2.2
170.09656	100.0
171.10429	20.9
186.09154	5.9
186.11549	0.5
187.09950	0.8
199.68517	0.4
201.13919	6.5
202.14661	14.0
218.14201	0.6
236.86919	0.4
281.01309	0.4
503.26550	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21387	1.1
56.89398	1.3
56.91595	1.2
61.76862	1.1
62.32411	1.3
70.06605	9.5
72.08163	22.6
81.07045	1.6
85.02895	2.6
93.06966	2.1
94.44252	1.1
97.07661	2.8
98.06037	5.9
107.08579	2.2
109.02862	1.5
114.10306	27.1
115.08685	6.8
123.04384	1.4
123.08070	1.5
131.12971	2.0
135.04416	2.0
137.06010	9.6
145.02786	2.4
147.04341	2.4
148.03415	1.5
155.11746	1.6
157.10808	2.2
161.05936	8.7
163.03912	22.5
164.04170	1.4
165.05511	1.7
167.07057	3.2
177.05551	10.4
178.05830	2.3
178.99370	1.4
179.05872	1.8
180.06287	1.6
182.09464	4.6
189.05421	2.8
191.07028	2.1
192.07878	3.0
193.08505	2.1
205.13342	1.5
210.08907	2.5
220.09634	2.2
222.11232	2.4
233.12772	2.7
234.11208	2.6
236.12177	2.0
265.16547	1.4
293.16052	2.8
301.10468	2.0
420.74524	1.3
492.13281	1.5
503.24908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.1
55.01872	1.5
55.05521	2.5
55.73174	1.3
58.06598	1.2
59.68922	1.2
67.05504	3.1
69.03432	12.4
69.07056	6.0
71.05006	22.5
72.08168	2.2
73.02913	1.7
81.03417	5.9
81.07063	12.1
85.02905	28.9
85.06555	1.8
85.73270	1.3
86.23520	1.2
87.00838	13.7
89.06024	5.4
91.05472	2.0
93.07072	9.2
95.08611	10.4
97.02900	6.9
97.06522	1.9
99.04448	2.2
105.01866	16.9
105.07028	9.6
107.08586	10.1
109.02865	8.1
109.06540	1.4
109.10170	39.3
113.37371	1.3
114.10321	1.9
119.08559	6.5
120.01247	1.3
121.10186	6.3
123.11655	2.5
125.09588	2.6
127.03919	19.5
127.11182	14.5
133.10162	3.1
135.11687	2.6
137.06012	2.1
137.09598	1.4
143.08537	2.2
145.04977	7.7
145.10129	15.0
147.11671	15.2
149.13257	23.9
151.11197	5.2
159.02893	1.6
159.11703	7.1
160.07571	36.9
160.08794	2.5
161.13213	2.4
163.11232	1.5
170.09688	3.0
175.14816	2.3
186.09143	100.0
187.09941	26.5
201.16408	12.9
217.13295	5.7
218.14159	15.5
219.17458	45.3
231.04980	5.8
237.18497	58.9
244.02095	1.4
255.19484	13.9
281.31830	1.4
312.85522	1.4
413.94382	1.5
446.12329	1.3
485.22464	1.8
503.14777	1.7
503.26608	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
63.44704	0.4
64.45483	0.4
68.40168	0.5
69.03441	0.8
70.06595	1.2
72.08155	2.2
81.03429	0.9
81.07079	0.8
85.02919	5.0
86.09691	0.7
91.05472	0.9
93.07011	0.6
94.04167	0.6
95.04954	0.5
97.02889	1.1
100.07617	2.4
100.77517	0.7
105.07030	3.5
109.02884	1.0
109.06532	2.6
119.08545	1.1
121.10113	1.1
122.03677	2.1
127.03903	2.2
129.07053	0.9
130.05026	1.1
133.06491	4.3
133.10114	1.2
135.11729	0.6
137.05988	100.0
138.06332	3.0
143.06114	0.5
145.05034	0.6
145.10156	1.2
145.49280	0.7
147.04408	1.1
147.08040	3.1
149.06049	1.0
159.08060	2.5
159.11708	1.0
160.05202	0.8
161.05992	12.9
161.13300	1.0
171.07985	0.8
172.05153	0.9
173.13379	0.7
175.07552	28.8
175.09071	1.1
179.07062	3.1
180.07407	0.8
187.07544	9.9
189.09090	1.1
191.08601	2.3
199.07541	7.6
201.16345	0.8
203.08572	2.5
219.08064	8.8
219.17334	4.1
231.08089	5.1
236.12843	9.6
237.13164	7.7
237.18526	3.1
247.07449	5.0
248.08237	2.8
251.10706	18.2
255.19592	2.5
259.07541	2.1
260.08368	2.4
261.09149	2.3
263.10526	4.9
264.07858	1.2
276.07736	2.2
277.08606	0.8
279.10172	10.9
280.10919	0.7
291.10168	6.5
292.10977	2.8
296.10492	2.6
308.10529	0.6
311.12772	32.0
323.12784	18.8
323.16336	1.0
341.13867	2.8
503.21933	1.3
503.29504	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	503.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	6.4
72.08166	35.4
84.08192	0.6
86.09705	0.7
87.52701	0.4
89.10800	9.7
98.06048	3.2
106.75012	0.5
115.08721	0.8
120.44158	0.5
129.10196	0.5
143.11813	0.7
155.08308	0.5
186.10922	0.5
213.05222	0.7
229.04919	0.6
240.04337	0.5
241.04918	3.5
254.05762	0.7
255.06650	0.9
257.04358	4.3
258.05054	0.8
263.06943	0.7
265.05014	3.3
267.06561	0.5
268.03683	9.0
268.06195	0.7
269.04456	60.7
279.06482	4.5
281.04538	6.3
281.07361	0.8
282.05072	0.8
283.06049	6.6
285.03891	17.4
285.06641	1.1
286.04803	3.4
295.05948	0.9
297.04001	3.0
297.07333	0.9
298.07245	1.9
299.05408	4.9
305.04572	0.7
307.06049	10.3
308.06274	0.5
309.03964	2.8
319.02396	1.0
323.05612	3.9
325.06973	5.1
327.11063	0.9
333.04010	0.7
335.05588	2.1
339.11047	2.9
340.11749	0.9
351.05054	2.9
355.04315	3.7
356.13718	1.1
357.14496	4.4
369.06027	1.0
379.04590	0.9
397.05505	5.2
415.06635	10.3
424.66925	0.5
486.14548	0.6
497.56229	0.5
503.16620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93033	0.9
64.16812	1.0
69.03430	5.5
71.04966	1.0
72.08152	1.7
75.04488	2.2
81.03414	5.0
85.02908	18.4
87.67448	1.1
89.03094	0.9
91.05479	2.4
92.17836	1.2
97.02905	5.6
105.07032	5.6
106.92824	1.0
109.02866	1.2
109.06535	1.0
119.04958	2.4
119.08556	1.2
122.03599	2.5
127.03917	2.4
131.04915	4.2
132.05707	1.5
133.06493	2.0
137.05978	100.0
144.08086	2.1
146.53969	1.1
147.04422	4.7
147.08054	4.2
151.07564	5.1
161.05988	10.6
163.04068	1.1
163.07552	7.0
167.07104	1.6
170.09650	16.9
171.10391	4.8
175.03940	8.7
175.07539	42.0
187.07564	7.0
191.08669	1.3
197.08095	7.7
199.07550	16.6
202.14658	2.0
203.08644	3.8
207.06516	11.2
217.08542	1.0
219.08040	4.9
220.08980	1.3
222.11136	1.7
231.07994	8.4
233.09604	1.2
236.08385	1.2
247.07549	4.5
248.08464	1.8
251.10603	13.5
259.07578	5.6
260.08267	2.2
263.10754	6.5
264.07880	1.3
276.07864	1.6
277.08548	1.7
279.10147	5.3
279.13309	1.8
281.02658	0.9
291.10205	11.1
292.11041	2.4
297.14398	2.3
308.10284	1.3
311.12775	25.5
311.16165	1.4
323.12766	25.7
325.14432	4.6
346.26663	1.0
380.96011	1.1
390.09985	1.0
396.59717	1.1
425.55887	1.0
494.21661	1.3
503.26266	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	502.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
57.07070	1.6
58.06592	11.4
59.07383	5.4
60.08154	2.9
71.08630	2.4
73.56554	1.5
78.84945	1.6
85.10188	1.9
91.61390	1.4
95.08573	2.8
115.95239	1.5
132.12833	1.4
144.10181	8.1
160.53880	1.4
162.11201	1.5
163.25056	1.5
184.83113	1.4
236.14934	100.0
315.08243	1.6
484.40012	13.4
502.41052	93.2
511.62079	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	502.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55690	2.1
53.16076	2.1
57.07072	2.1
60.63622	2.2
62.80250	2.3
69.07053	5.6
70.78190	2.2
71.08639	3.0
73.23427	2.5
74.15938	2.3
96.73272	3.2
96.78175	2.7
105.06995	3.3
129.19331	2.3
133.06488	25.1
134.07288	11.7
135.08055	80.4
143.08882	3.1
151.07550	10.8
165.03685	26.6
167.05269	16.2
177.81044	2.6
179.05270	16.5
181.73886	2.4
193.72287	2.4
214.71140	2.4
236.14845	3.4
237.15228	6.2
238.15208	2.7
277.16208	13.4
295.17255	100.0
473.20474	2.8
485.34555	4.5
502.40073	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	502.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75035	2.6
56.35623	2.8
56.63715	2.9
57.07072	20.6
57.11114	3.0
58.06603	7.3
60.08173	4.9
67.83064	2.9
69.71906	3.5
71.08631	38.3
85.10178	25.6
88.89688	3.7
89.06033	74.4
92.17884	3.9
92.78516	3.4
93.07044	8.0
119.08637	3.3
121.06502	55.8
133.08598	20.1
134.01086	6.2
144.10202	42.6
144.69798	3.0
147.08069	15.0
165.09103	15.7
177.11299	6.1
202.98528	5.3
220.04753	6.0
236.14911	70.4
237.15228	6.2
247.20599	6.3
260.05042	5.0
291.23151	6.5
325.33691	3.9
359.20590	39.4
456.36963	5.0
474.37808	61.0
485.34796	100.0
502.37466	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	502.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71074	0.6
57.07101	0.9
65.31737	0.7
70.06591	0.8
70.31258	0.6
72.08159	1.3
73.02894	1.0
85.06569	2.5
86.65450	0.7
87.04446	0.7
89.06029	3.2
90.87815	0.7
91.05471	0.8
92.18373	1.0
100.07627	21.8
107.08612	0.8
110.09667	2.9
126.12801	87.9
147.04497	1.3
154.12268	4.6
159.04437	2.5
169.10172	3.1
169.13353	1.7
170.09616	1.7
171.14925	11.6
173.05942	1.1
175.03961	6.2
177.05473	1.1
179.08592	1.0
186.06616	0.8
186.09238	3.1
187.04005	0.8
187.07605	1.6
187.09671	3.7
189.05530	1.1
191.03401	1.7
193.05032	1.1
197.09634	9.8
199.07574	1.0
200.08397	0.7
201.05540	11.1
201.09259	3.2
201.13933	0.8
205.04980	0.9
207.06502	2.5
207.08174	1.8
208.06944	1.2
210.06784	0.9
214.06348	0.9
215.07076	6.0
215.10670	21.3
220.07074	0.9
224.21278	3.5
225.09102	25.5
225.19585	7.5
228.07915	3.3
242.22287	24.8
243.10170	12.1
250.58263	0.8
251.09296	1.2
252.09569	1.0
261.11194	7.2
267.02161	0.7
267.20569	0.8
319.36661	0.9
397.72452	0.8
473.05997	0.9
502.32819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.3
58.06579	0.4
60.08179	4.3
70.06591	2.7
72.08158	8.5
82.06574	1.7
82.48958	0.4
84.04499	1.9
96.04573	0.6
97.07635	0.4
98.06049	2.1
103.05482	2.9
103.63217	0.4
106.33508	0.4
107.04938	2.2
108.04479	2.4
112.11215	0.6
114.10294	12.6
115.08688	9.2
123.04424	3.7
126.05515	6.5
127.05836	0.5
128.07077	2.2
131.04019	0.8
131.04930	10.6
138.05487	3.4
139.05812	0.5
149.05994	4.8
163.03920	3.2
164.04205	0.6
165.05453	4.5
168.06499	1.8
168.11116	0.4
208.13339	83.3
235.14404	12.2
236.12810	28.8
246.09584	0.6
252.14244	0.9
253.15475	2.2
260.04495	0.7
278.05429	0.6
278.14984	18.5
295.17657	100.0
379.63303	1.7
403.10150	0.5
404.10596	0.5
466.65802	0.6
502.17908	12.5
502.30725	6.6
502.67899	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	502.2934
Annotation	beta-Aflatrem
Peak:m/z	Relative Intensity
51.87868	3.1
55.05515	5.7
57.07063	4.9
61.83503	3.1
62.06092	40.0
62.64537	3.6
64.97578	3.3
67.05515	26.8
69.07069	4.3
74.06990	3.5
77.90330	3.6
79.05499	18.1
81.07064	26.3
91.05471	24.4
93.07058	30.5
95.08591	9.3
97.06525	6.1
98.98460	15.8
100.07632	4.6
105.07047	17.8
106.08020	3.7
107.08616	6.4
109.10134	5.6
116.05267	5.3
117.07018	6.0
119.08550	21.3
121.10159	8.7
123.35132	3.7
129.05487	6.9
131.08582	7.2
133.10115	17.2
145.10120	6.6
147.11707	7.4
178.64735	3.9
189.67662	4.1
203.17896	4.1
216.06462	4.8
281.21790	4.0
287.23862	5.3
306.33371	4.6
315.94211	4.1
330.27972	6.6
353.80002	3.7
361.27411	100.0
397.62460	3.7
484.28149	35.8
502.29211	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2934
Annotation	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)
Peak:m/z	Relative Intensity
50.66507	0.4
54.04763	0.4
55.01879	2.1
55.05516	4.3
57.03452	5.6
61.27381	0.6
62.32805	0.5
67.05515	26.0
69.07079	4.9
73.02903	1.0
79.05499	15.5
81.06605	0.9
81.07069	22.3
83.05021	0.5
83.08620	2.6
86.45619	0.6
91.05486	10.8
93.07050	21.4
95.04977	2.3
95.08614	21.3
97.06522	4.1
97.10175	0.6
105.07053	3.4
107.08602	10.2
109.10156	7.0
113.05952	0.4
117.07005	2.2
119.08595	6.7
121.10154	8.3
123.08096	0.7
123.11736	1.1
129.05489	7.0
131.08562	4.8
133.10168	7.2
135.11707	3.7
145.10127	2.9
147.11685	2.7
149.09671	0.7
159.11700	2.5
161.13287	2.3
163.03819	0.6
171.11659	0.6
173.13245	2.0
185.13245	0.8
187.14816	0.9
193.04942	0.6
199.14735	0.7
203.17964	0.7
216.06383	0.7
220.09665	0.9
246.99823	0.6
269.22412	0.6
330.27963	1.1
344.10117	0.6
361.27371	100.0
401.58582	0.6
421.29602	0.6
502.24890	1.0
502.29895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72450	8.5
66.29388	8.9
67.05514	40.7
69.07056	12.0
71.03654	8.8
79.05497	22.1
81.07050	37.6
91.05469	22.0
93.07003	23.3
95.08608	18.9
119.08572	14.6
128.36285	12.1
143.44162	9.7
147.11794	10.4
158.79927	10.0
203.17856	12.4
361.27582	100.0
459.00327	11.1
493.52310	12.9
502.26245	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	502.2934
Annotation	beta-Aflatrem
Peak:m/z	Relative Intensity
58.96018	4.5
59.54664	5.8
62.06099	32.8
63.78094	4.4
67.05519	12.8
78.23431	4.9
78.95786	5.6
79.05496	21.8
81.07060	32.5
83.08600	5.8
86.09709	5.8
91.05470	8.2
93.07040	20.9
95.08608	9.3
97.06531	5.2
98.98471	6.7
103.03926	5.0
105.07041	7.7
107.08615	11.6
129.05441	10.4
131.08501	6.2
133.10077	8.5
279.19324	5.5
361.27328	100.0
484.28137	29.1
502.29059	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	502.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	1.0
72.07810	0.5
72.08157	8.9
72.64705	0.4
74.54546	0.4
84.08128	0.8
88.29859	0.3
90.39694	0.4
100.07624	10.1
112.11236	3.1
137.05983	63.3
151.07559	0.7
178.08592	2.7
178.67781	0.4
179.07033	19.1
182.51248	0.4
221.10420	0.5
222.92415	0.4
235.14464	0.7
236.12808	100.0
250.14369	8.1
279.16907	0.5
285.26544	0.4
307.20233	2.4
324.22894	0.8
356.54752	0.4
484.28171	1.9
485.26761	0.7
502.29135	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
55.05516	0.9
56.59055	0.8
67.05511	12.0
69.03426	3.4
69.07075	1.8
71.04990	6.4
72.03663	0.7
78.69063	0.8
79.05494	1.3
81.03432	3.3
81.07071	9.2
85.02906	12.1
87.00840	3.5
90.77030	0.8
91.05486	1.3
93.07062	8.4
95.08608	4.7
97.02876	3.2
97.06570	1.1
99.04463	1.2
105.01878	6.8
105.07039	16.3
107.08615	8.2
109.02878	4.4
109.10163	100.0
111.08091	3.3
116.10822	0.9
117.07060	1.6
119.08587	7.3
121.10136	5.7
122.00690	0.8
123.11723	1.4
127.03928	10.3
128.21553	0.8
129.01790	0.9
131.08603	7.5
133.10170	4.5
135.11771	1.3
145.04932	1.6
145.10132	22.0
147.11682	11.9
149.09627	0.9
149.13205	3.5
151.11212	0.9
157.10091	1.1
159.02930	4.5
159.11652	11.8
161.13248	4.1
163.11171	1.6
168.88692	0.8
173.13274	3.7
175.14732	1.4
191.14328	0.9
201.16405	35.7
203.17995	5.4
219.17441	61.3
231.04909	1.2
237.18477	1.0
249.06006	1.0
254.21245	1.9
255.17094	1.0
270.08511	0.8
303.19748	0.8
403.17789	3.0
429.57162	1.0
467.23309	1.5
484.28946	1.4
518.73907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
55.34445	1.4
57.03452	2.1
57.07088	1.8
57.30321	1.4
67.05503	3.0
69.03432	15.4
70.51366	1.5
71.05009	2.1
73.02920	3.6
81.03419	23.7
81.07062	9.7
85.02417	2.8
85.02911	60.6
85.03417	2.6
86.57199	1.4
87.00839	19.3
91.05503	3.3
93.07036	7.3
95.04972	1.5
95.08610	7.9
97.02888	25.0
99.04465	16.4
105.01880	24.6
105.07042	8.2
107.08601	7.3
109.02895	23.5
109.10152	16.7
114.12812	62.6
115.13152	18.8
117.01804	2.2
117.06989	2.0
119.08595	7.8
121.10134	7.2
127.03922	46.7
129.01862	3.7
131.08583	10.2
132.38464	1.4
133.10136	6.9
135.11699	9.8
145.04985	17.2
145.10146	32.5
147.02959	1.8
147.11728	2.1
159.02904	22.5
159.11728	22.1
163.11160	2.7
173.13280	3.7
188.12982	1.8
191.18085	1.5
201.16386	100.0
202.34477	1.5
217.07886	1.5
219.17468	26.7
231.04967	11.8
296.01968	1.7
341.13788	2.7
357.16882	2.1
403.17593	6.5
409.31183	1.7
413.16071	3.7
467.22968	17.4
502.34610	23.4
503.07803	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	502.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36733	0.8
58.06595	4.3
58.22327	0.9
69.55677	0.9
70.06595	5.6
72.08157	29.4
84.08145	11.0
85.02929	1.3
86.07611	0.9
98.06046	2.4
105.01869	1.7
110.09664	1.8
112.11233	41.1
113.07132	10.7
114.09167	1.3
118.81277	1.1
123.04412	2.1
127.03923	2.1
129.13879	18.5
147.04428	1.2
155.11787	56.2
160.03969	1.7
161.06006	1.2
163.03946	2.0
172.14432	11.5
205.99326	1.0
222.11279	2.2
235.07594	2.3
239.06973	1.6
255.06445	1.2
257.07990	6.9
263.07007	7.2
266.04468	5.0
279.06439	6.9
281.08212	5.1
283.05957	2.2
289.19394	1.2
299.09024	1.4
324.08588	4.8
325.07352	1.2
370.16336	1.4
381.14194	1.8
382.13052	3.9
396.14383	6.0
399.15491	10.2
414.08035	1.4
452.21771	2.0
453.20303	5.4
454.44019	1.2
470.22867	68.7
502.19241	4.8
502.25458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	3.6
70.06596	7.2
72.08161	25.6
75.09243	0.5
81.03424	0.6
84.08142	11.7
85.02893	2.5
86.09713	1.2
92.18420	0.6
92.62940	0.6
97.02932	1.2
98.06054	0.7
98.09673	0.7
100.07635	5.8
103.58218	0.5
105.01862	1.0
109.02869	0.7
110.09692	1.0
112.11243	32.5
113.07132	7.1
114.09131	0.7
115.08681	0.8
123.04463	4.4
127.03934	1.1
129.10300	0.6
129.13890	14.8
145.04930	0.8
146.16449	0.6
147.04416	2.4
155.11795	40.1
161.05913	0.7
163.03937	7.3
164.04251	0.8
165.05496	1.2
172.14458	9.6
193.04971	2.3
218.08171	2.1
220.09618	5.0
221.09999	1.2
222.11218	4.9
232.13248	0.6
234.11147	0.7
235.07617	2.4
239.07108	2.5
249.06104	0.6
250.10838	0.7
255.06644	0.9
257.08084	6.4
263.07043	6.9
269.08023	0.7
279.06461	4.6
281.08081	4.7
283.06030	2.9
284.06848	0.7
296.09299	1.0
297.07690	1.4
299.09192	1.2
314.10373	0.8
324.08707	3.3
354.13458	0.9
356.11368	0.7
356.14999	8.2
371.15894	0.7
381.14633	4.0
382.12772	7.1
388.59366	0.7
396.14514	1.3
399.15387	8.7
402.49432	0.7
403.18460	0.8
413.17102	2.9
414.15576	0.9
431.18069	0.8
452.22009	3.0
453.20212	5.2
466.19052	1.0
470.22864	61.6
484.25391	1.5
485.22900	1.2
502.25537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	3.5
59.84792	0.7
60.28385	0.7
60.42954	0.8
67.75705	0.7
70.06583	1.2
72.08161	25.9
84.08144	16.0
98.06029	1.2
98.09680	1.7
100.07622	1.8
110.09617	1.0
112.11239	45.2
113.07114	9.6
123.04436	1.9
129.13875	21.1
139.38083	1.0
146.16536	1.2
147.04422	1.5
149.60307	1.0
155.11790	66.3
158.74590	0.8
161.06024	0.8
172.14458	10.4
178.08672	0.8
201.61417	0.8
211.07471	1.1
224.44424	0.8
235.07515	1.0
239.07100	3.1
246.39667	0.9
246.65363	0.8
257.08069	9.9
263.06918	7.2
279.06519	10.4
281.08038	7.0
283.05933	5.5
296.09314	1.4
297.07504	2.7
308.33810	0.9
324.08524	5.6
325.07028	1.0
339.33493	1.0
354.13565	1.0
356.14951	4.6
370.16519	1.2
381.14502	5.0
382.12781	7.2
388.36917	0.8
396.14572	4.5
399.15411	10.0
452.21964	4.5
453.20346	7.8
470.22849	100.0
495.85919	0.9
498.94272	0.9
502.25504	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01682	0.5
50.07498	0.5
57.88348	0.5
58.06580	0.7
62.30605	0.5
70.06586	3.7
72.08163	13.7
72.74699	0.6
75.09222	0.8
75.32870	0.6
84.08128	1.0
88.34101	0.6
90.04013	0.6
94.58119	0.6
98.06054	0.7
105.76879	0.7
112.11247	2.9
113.07140	0.9
123.04457	5.3
129.13896	2.4
135.04390	1.6
137.05963	0.8
145.02840	2.6
146.16544	1.4
151.78032	0.6
155.11783	17.1
163.03903	82.6
164.04269	1.5
165.05495	3.0
167.07039	0.8
168.77284	0.6
172.14478	6.4
178.02654	0.8
192.10318	0.8
193.04973	6.9
220.09689	100.0
221.10092	1.0
222.11278	20.3
234.11234	6.7
236.12950	0.7
241.85364	0.6
250.10803	1.5
291.17114	6.5
308.19693	10.9
317.15106	1.1
334.17740	3.3
364.89099	0.8
365.27982	0.7
470.22922	30.7
486.24274	0.7
502.25439	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04296	0.5
54.42677	0.5
57.34644	0.5
58.06614	0.8
62.23048	0.6
72.08157	20.9
77.31860	0.5
78.89218	0.5
83.81158	0.6
100.07582	0.6
101.47658	0.6
105.40533	0.6
107.04965	0.9
112.11235	3.0
123.04447	4.1
129.13812	0.8
135.68208	0.5
147.17384	0.6
150.03120	1.1
153.05482	2.3
155.11829	0.7
163.03888	13.8
165.05432	9.6
167.07074	3.6
168.07396	1.3
175.03815	0.6
178.02620	12.4
193.04967	85.9
217.05049	2.6
218.05298	0.8
220.09677	16.8
222.11247	65.8
236.12807	1.3
239.13887	3.6
250.10858	3.1
264.12405	2.8
264.45801	0.7
266.13901	2.3
293.18570	9.0
306.06885	0.7
310.21307	8.5
323.19672	1.1
340.22278	3.0
419.93082	0.7
440.50003	0.7
502.25491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	2.4
60.53959	0.3
70.06593	0.5
72.08162	6.7
84.08122	1.9
104.07008	0.3
111.79440	0.3
112.11239	7.5
113.07121	0.4
119.04884	0.5
123.04407	2.7
129.13866	2.1
147.04430	1.2
150.03142	1.3
150.32997	0.4
153.05389	0.3
155.11816	2.5
163.03917	2.6
165.05449	6.1
172.14426	0.6
175.03952	0.4
178.02603	10.8
193.04959	94.4
218.08165	1.2
220.09723	2.7
222.11287	4.7
236.12788	15.7
237.30466	0.3
249.12392	0.4
250.10724	35.6
253.15381	2.3
264.41284	0.3
265.15527	0.7
266.13852	0.4
293.18573	22.6
310.21228	29.4
340.21957	0.4
391.00613	0.3
451.10263	0.3
493.82687	0.3
502.25449	100.0
526.96143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28993	0.2
55.05496	0.5
58.06592	2.2
70.06596	22.9
72.08161	12.5
72.56962	0.3
84.08151	3.9
85.02930	1.4
91.05505	0.4
97.02868	0.4
100.07085	0.3
100.07628	4.3
102.82356	0.3
105.01798	0.4
110.09665	4.7
112.11254	5.0
113.07125	5.5
123.04426	11.9
123.05262	0.6
126.77395	0.3
127.03931	0.7
127.12301	0.4
129.13908	1.4
137.05980	0.7
145.02849	0.3
147.04416	1.8
150.03142	0.4
151.03891	0.7
153.05472	4.6
155.11789	26.5
163.03903	3.0
164.07030	0.5
165.05473	13.8
165.34854	0.3
167.07062	2.0
170.09651	1.6
172.14470	3.9
177.05460	0.4
178.02580	5.1
190.08664	0.6
192.06592	0.7
193.04964	42.0
194.08142	0.8
218.08124	4.8
219.08983	1.4
220.09636	5.2
222.07654	1.9
222.11244	16.9
222.13336	0.7
234.11336	1.4
236.12810	14.0
250.10745	23.2
252.12302	7.2
253.15477	1.6
266.14301	0.5
272.07327	0.3
291.16998	2.7
293.18600	10.5
310.21219	11.0
336.19165	0.4
470.22833	2.5
502.25513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51960	0.2
52.13115	0.2
58.06595	1.4
64.05487	0.2
69.07056	1.4
69.27425	0.2
70.06585	0.3
71.19417	0.2
79.71986	0.2
84.08152	0.3
85.08932	2.0
86.09713	0.2
99.19561	0.2
114.12807	100.0
120.14637	0.2
120.53774	0.2
203.93393	0.2
224.44147	0.2
352.83081	0.3
366.27670	0.4
382.85977	0.2
501.34351	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54649	0.3
67.05523	3.3
69.07075	2.3
70.06598	100.0
72.08147	3.5
72.33389	0.4
76.73182	0.4
84.08154	2.7
85.02899	0.8
85.08451	0.5
86.93002	0.4
91.05488	0.8
92.17821	0.4
93.07052	26.0
94.06591	1.8
95.04978	6.9
105.07065	0.5
112.07608	24.3
112.11251	1.6
113.07982	0.5
121.10149	13.5
124.07638	0.4
124.94283	0.4
127.03930	0.6
130.08659	2.7
131.08556	0.4
136.07597	0.7
149.09605	3.3
153.05588	0.4
154.08656	2.9
155.11871	0.8
163.03940	3.0
167.10669	0.8
170.09679	0.6
172.09734	2.1
193.04990	3.1
195.06799	0.5
212.16640	0.6
220.09828	1.9
221.10059	0.7
222.11290	2.0
238.10846	2.1
256.11929	0.8
260.34680	0.4
266.58423	0.5
274.12833	3.5
292.13904	9.2
313.08878	0.6
314.09280	0.5
315.09506	0.7
318.11984	1.8
336.12888	26.8
350.20358	0.4
414.16428	1.8
458.24289	1.6
460.73071	0.5
502.26328	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	501.3432
Annotation	Adouetine X
Peak:m/z	Relative Intensity
58.06603	1.5
69.07080	1.4
70.06585	0.2
72.08183	0.2
84.08151	0.4
85.08910	1.6
86.09717	0.7
91.88719	0.2
92.15520	0.2
106.69495	0.2
114.12807	100.0
140.81161	0.2
172.39151	0.2
226.87323	0.2
253.19049	0.2
351.97769	0.2
366.27643	0.7
501.34363	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	501.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69212	0.2
55.06480	0.2
58.06610	1.6
69.07050	1.3
72.55098	0.2
84.08100	0.3
85.08935	1.4
86.09718	0.5
114.12808	100.0
133.91483	0.3
138.63924	0.2
153.43890	0.3
160.07559	3.0
186.09142	6.7
186.10701	0.3
187.09938	2.9
198.56215	0.2
218.14122	1.8
253.19366	0.2
468.97101	0.3
483.28610	0.3
501.29184	3.7
501.34448	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	501.322
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
62.58888	1.2
67.05477	1.4
75.80033	1.3
81.07068	3.1
91.05437	1.6
93.07043	6.3
95.08610	6.0
105.07049	3.3
107.08598	9.2
109.10152	2.7
119.08591	8.2
121.06484	3.2
121.10168	6.1
131.08566	6.4
133.10136	8.0
135.08063	1.8
135.11758	5.5
144.08104	32.9
145.10139	8.6
147.11670	7.6
149.13277	2.9
157.10327	1.6
159.11691	3.3
161.13213	5.7
163.14804	8.6
170.09645	100.0
170.11087	3.3
171.10422	22.8
173.13274	9.3
175.14841	9.3
185.13304	5.9
186.09239	1.6
187.14836	13.8
189.12859	2.2
189.16409	5.3
191.14381	3.2
199.14845	2.2
201.13879	2.6
201.16389	13.2
202.14670	14.5
203.14424	2.4
203.17984	2.7
220.78056	1.6
235.13292	1.9
235.16988	2.1
247.16847	1.7
254.19424	1.7
391.29892	3.3
409.05173	1.7
409.31168	7.0
437.30493	11.3
455.31601	26.0
456.43155	1.4
483.31140	1.7
501.28619	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09384	0.6
81.54053	0.7
82.01967	0.6
92.18428	0.6
107.95766	0.8
114.12811	15.7
123.80437	0.7
144.08092	27.0
157.67842	0.7
158.09618	0.9
163.03821	1.1
167.07124	0.8
167.61066	0.8
170.09642	100.0
171.10429	18.6
171.11853	0.7
201.13942	4.8
202.14661	11.9
329.10498	0.9
377.24484	0.7
399.14069	0.7
441.15036	1.2
501.28583	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	501.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66116	0.4
54.98668	0.4
55.05519	0.7
63.92660	0.5
72.08161	79.6
73.35555	0.6
89.10798	34.2
91.95588	0.5
92.17850	0.8
93.36990	0.6
98.06052	1.3
115.08666	2.3
135.04433	2.6
145.02856	2.9
163.03902	100.0
197.59724	0.6
214.68205	0.6
233.12820	1.3
234.11250	42.0
251.13884	17.2
251.16486	0.5
280.20728	0.6
283.06052	0.8
287.40030	0.6
413.17081	0.6
443.48782	0.6
484.24310	1.3
501.27081	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	501.2496
Annotation	Heteroclitin A
Peak:m/z	Relative Intensity
51.75779	1.2
55.44774	1.2
60.84272	1.4
79.72992	1.6
95.33478	1.5
98.06046	2.5
107.04965	2.3
120.08096	2.4
121.02858	1.9
130.06514	3.1
144.08087	81.5
145.08826	1.5
148.07559	3.2
157.08835	9.6
158.09659	2.4
167.06927	1.7
170.09612	28.4
171.10370	2.8
187.12337	3.3
188.07082	1.4
188.13087	8.1
189.12769	2.4
191.60469	1.6
215.11807	6.5
216.12149	1.5
219.49962	1.7
224.10736	11.6
238.11923	1.6
242.61789	1.6
269.16437	11.0
315.16974	11.1
384.01151	1.8
439.58157	1.5
501.17447	15.4
501.24875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69867	0.6
55.09162	0.5
56.20449	0.5
58.64219	0.5
60.05648	2.4
65.78796	0.5
68.85023	0.5
69.03420	0.8
70.06581	2.5
72.08161	6.9
75.72637	0.6
84.08120	1.1
85.02894	1.4
92.32207	0.6
97.07666	0.8
98.06074	0.9
107.04950	0.8
109.02873	0.7
109.06475	0.6
109.19910	0.7
114.10298	10.0
115.08666	1.3
119.08580	1.0
123.04441	0.8
125.67658	0.5
127.03932	0.8
131.04919	2.7
131.12926	5.0
132.05707	3.2
144.08087	3.8
147.04379	0.8
147.11749	0.6
157.10870	1.2
160.05203	4.1
161.05975	0.9
161.09654	0.9
161.13231	1.0
163.03940	4.6
165.05470	0.6
167.07057	4.3
170.09656	10.3
171.10368	1.2
177.05481	3.8
179.07019	3.2
180.07832	7.4
187.03917	3.3
189.12762	1.4
191.07034	25.1
192.07820	89.1
199.03870	2.3
201.13873	0.8
202.14697	0.7
204.10298	0.7
207.06529	6.0
208.07359	2.2
209.08084	0.8
217.12186	1.2
220.09662	1.1
222.11255	2.1
234.11194	1.0
235.13223	0.7
253.14337	4.0
261.05377	0.6
263.15012	1.4
307.09918	1.0
311.09262	1.0
321.07538	2.0
341.10202	1.2
353.10254	6.9
376.86520	0.7
450.73706	0.7
501.23474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05281	1.1
55.05522	14.4
57.07079	1.6
59.04995	0.6
67.05518	4.7
69.03431	3.3
69.07069	0.9
70.06595	0.9
72.08154	1.2
79.05504	1.8
81.03426	1.7
81.07068	6.3
83.04984	3.5
85.02918	3.0
85.06563	0.9
86.69751	0.7
87.00838	0.9
91.05503	2.9
91.23240	0.7
93.07056	1.8
95.04975	3.0
95.08628	1.0
97.02903	1.2
97.06530	1.0
99.04479	0.8
105.07046	4.4
107.08585	6.0
109.02905	1.4
109.06538	3.2
109.10168	38.9
116.07027	1.0
119.08583	6.1
121.10161	1.7
125.06004	14.0
127.03891	1.6
131.08499	1.2
133.10136	7.7
135.08044	10.1
137.05995	3.7
137.09668	3.8
143.08560	1.3
145.02814	1.6
145.04993	1.0
145.10201	1.3
147.08049	0.9
147.11682	5.9
149.09607	8.6
151.11186	3.0
156.09268	0.8
157.10165	1.6
159.11646	3.3
161.09660	10.2
161.13263	1.6
162.10393	1.3
163.11253	6.1
170.09695	0.8
171.11705	1.5
175.11223	1.5
175.14806	2.7
177.05487	4.7
179.10675	34.5
189.12750	1.2
189.16379	1.4
199.14819	3.6
201.13898	1.3
217.15869	13.9
230.50778	0.8
235.16940	100.0
246.94617	0.8
253.17961	3.1
501.23431	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	501.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78976	0.3
55.01867	0.4
68.35765	0.3
70.06567	0.3
72.08161	2.8
72.08478	0.3
92.17893	0.4
96.08103	0.4
98.06050	0.7
103.05456	1.6
105.07050	0.6
107.04933	1.4
114.09134	0.7
115.05441	0.6
115.08689	2.0
119.03802	0.3
119.08538	0.4
131.04031	0.5
131.04932	9.4
132.05708	16.0
133.02824	2.0
133.06458	2.1
145.02916	0.5
147.04436	0.6
148.05150	1.2
149.05963	2.8
154.06235	0.4
159.04427	1.7
160.05197	17.7
161.02390	2.4
161.05972	20.4
162.06752	0.7
163.03900	3.1
163.07532	2.4
164.07079	0.4
167.07022	4.7
170.09717	0.6
173.06029	1.4
175.03918	0.6
176.04666	1.2
177.05437	6.2
179.07019	4.8
180.07796	7.9
181.08612	2.8
182.09389	1.4
191.07027	29.2
192.07809	100.0
193.08572	3.9
199.03918	6.0
204.27484	0.4
207.06511	8.7
208.07259	1.8
209.08058	10.7
210.08884	2.9
219.08006	0.4
233.05885	0.6
247.07626	0.8
251.09128	6.2
252.09894	8.0
261.05563	0.7
265.08636	1.6
275.07083	1.4
278.05801	0.6
279.06366	0.4
289.04819	1.7
293.08014	2.4
303.06558	2.0
321.07556	20.7
335.09241	0.5
353.10190	19.9
371.11020	0.4
413.12296	20.0
413.17859	0.7
484.19589	4.5
501.22293	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08163	1.2
98.06059	0.9
100.14433	0.6
103.05482	1.0
106.60416	0.6
115.08662	1.1
118.04189	0.7
131.04941	6.4
132.05724	9.7
149.06047	1.0
156.11212	0.7
159.04482	3.6
160.05212	10.7
160.07596	3.4
161.07924	1.1
163.03952	0.9
163.07558	2.6
167.07053	5.5
174.92218	0.6
177.05479	7.5
179.07034	5.4
180.07797	9.3
186.09128	10.5
187.03937	4.1
187.09564	6.7
188.10254	0.8
191.07054	23.1
192.07814	100.0
199.03900	6.7
207.06509	5.5
209.08153	1.2
210.08846	2.5
217.05086	0.9
218.14142	1.3
219.14604	1.2
256.15039	0.6
265.08511	0.9
295.75317	0.7
321.07767	3.0
325.10776	1.0
335.09140	2.4
341.10236	1.2
353.10184	12.3
371.11316	5.7
413.12357	13.1
418.80179	0.6
484.19815	3.0
501.22485	40.9
501.29630	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	501.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87683	1.5
53.03932	1.4
54.52518	1.3
57.34153	1.7
70.06582	2.9
72.08147	8.1
92.18388	2.0
98.06050	2.1
115.08685	2.5
117.57546	1.5
131.04904	3.2
144.08069	3.1
146.02374	1.7
152.81873	1.7
163.03917	2.3
163.07552	2.7
167.07018	24.6
170.09554	3.4
177.05453	1.9
180.47626	1.8
186.09053	1.9
187.03893	3.1
191.07037	14.7
191.08513	2.1
192.06198	2.2
192.07806	39.3
199.03926	39.2
217.04921	10.3
219.08096	2.9
233.05916	3.4
247.07458	7.3
251.06998	6.4
257.06064	2.1
261.05377	9.4
265.08606	6.9
275.07019	6.6
278.05649	7.9
288.04214	2.9
289.04944	28.3
292.07224	2.1
293.08060	19.4
303.06509	3.8
306.05246	33.5
321.07520	86.1
338.07520	2.2
353.10165	100.0
413.14267	3.3
484.19571	2.9
501.22644	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38140	0.5
72.08187	2.0
79.07907	0.6
92.17871	0.8
98.06036	0.8
103.05443	2.2
107.04974	0.9
115.08698	2.7
117.03321	0.6
117.35081	0.6
129.93185	0.6
131.04959	8.2
132.05725	15.2
133.02869	0.7
133.06500	0.8
136.14027	0.6
145.02843	1.0
149.05989	2.6
159.04449	1.4
160.05203	17.3
161.02359	0.9
161.05983	18.9
162.06743	0.8
163.03882	1.3
163.07561	1.4
164.76552	0.8
167.06985	5.3
176.04704	1.1
177.05458	6.5
179.07068	4.0
180.07851	7.3
181.08643	2.9
182.09448	0.7
186.09161	1.3
191.07022	25.2
192.07825	100.0
193.08647	1.2
199.03902	7.4
204.13557	0.6
207.06577	7.7
208.07372	1.4
209.08069	7.2
210.08849	2.8
238.74350	0.6
240.54492	0.7
242.62143	0.6
247.07648	0.8
251.09172	4.7
252.09920	7.7
265.08603	0.8
275.07211	0.8
279.06619	0.7
289.05118	0.8
293.08112	2.9
303.06531	0.7
321.07593	19.1
326.26529	0.6
353.10251	19.8
353.14297	1.2
413.12280	18.1
484.19815	3.3
501.22366	58.9
501.28943	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	500.395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60736	0.3
55.05524	0.4
57.03432	1.8
58.06612	9.3
59.07394	2.8
59.07632	0.4
60.08171	4.3
63.24474	0.3
67.05508	0.4
68.71698	0.3
69.07100	0.5
75.04465	1.3
81.07050	0.5
83.08599	1.3
85.02901	1.4
87.04462	2.0
95.08598	0.7
121.10188	0.4
131.07045	1.5
144.10222	8.1
162.11198	3.0
209.53784	0.4
218.13809	0.7
236.14937	100.0
438.39148	0.5
442.86877	0.4
482.38474	7.9
500.39471	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19836	0.6
70.06580	1.3
72.08134	3.7
98.06046	1.2
107.04955	2.6
115.08652	4.2
123.04400	1.1
131.04915	1.7
135.46083	0.7
140.91444	0.6
143.04837	0.7
144.08018	1.6
145.04613	0.8
163.03888	1.3
167.07043	23.7
170.09656	6.2
177.05525	1.7
187.03867	4.2
191.06987	4.8
192.07794	4.4
199.03912	38.2
205.06451	1.0
217.04956	10.9
217.15871	0.8
219.08006	4.8
229.06393	1.3
233.05870	4.4
235.16820	1.1
237.09058	3.1
247.07545	6.2
250.06244	4.4
251.06870	3.0
257.05933	1.6
261.05438	13.5
265.08682	7.6
275.07080	7.1
278.05728	9.6
288.04089	3.9
289.04947	29.6
290.05646	3.3
292.07309	1.7
293.08090	26.7
294.08716	1.0
303.06448	5.5
305.04352	0.7
306.05188	38.3
310.08392	1.4
311.07864	0.7
320.06613	1.1
321.07581	92.0
322.08362	1.0
325.10895	1.8
335.09332	2.7
338.07724	3.8
341.10095	0.8
353.10199	100.0
413.12427	0.8
441.19931	3.6
463.38681	0.9
484.19489	3.5
501.22165	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	500.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.4
57.03425	1.8
57.07066	0.5
58.06610	12.2
59.07394	4.0
59.48978	0.3
60.08173	5.1
65.19347	0.3
66.64596	0.3
67.05497	1.3
69.07049	2.2
71.67968	0.3
73.35209	0.3
75.04478	0.6
79.05476	0.4
81.07040	2.1
83.08619	2.4
84.77010	0.3
85.02887	1.4
87.04451	2.3
95.08590	2.1
97.06529	0.3
97.10123	1.5
109.10166	0.8
113.05993	0.6
121.10114	0.5
131.07021	1.8
135.11674	0.6
144.10205	11.0
162.11258	1.8
186.22081	0.3
218.13875	0.7
236.14931	100.0
236.45848	0.4
312.32193	0.3
339.29007	0.7
360.31165	0.4
438.39334	0.6
482.38452	10.1
500.39474	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.0
68.05013	1.7
69.03458	1.3
70.06593	10.7
72.08152	12.0
81.03431	5.8
81.07067	1.5
82.12405	1.1
84.08157	2.7
85.02915	11.2
85.24813	1.2
86.09700	5.2
91.55289	1.3
93.07061	1.6
95.06097	100.0
95.08633	1.4
96.41473	1.1
97.02866	1.7
98.06053	1.4
104.07198	1.2
105.07045	1.6
109.10180	1.5
112.11220	1.9
113.05946	2.4
113.07136	46.0
114.10338	1.2
116.07102	1.3
123.08084	1.3
127.03914	2.8
135.09198	1.3
139.04976	1.2
147.11810	1.6
151.08803	1.6
155.11810	6.3
157.10176	2.4
169.09770	5.3
175.11121	1.2
187.10760	30.3
189.72369	1.2
193.12389	2.6
199.07578	2.6
234.11226	1.8
249.03961	2.0
251.07100	1.9
259.18091	2.6
277.03760	1.5
277.19199	4.8
285.07532	1.9
287.17679	3.0
303.08539	17.2
305.18457	13.2
323.19647	25.4
341.20709	15.9
361.21442	1.6
379.22321	18.1
380.11743	1.5
397.23349	72.9
409.98022	1.3
456.30667	95.0
468.21466	5.8
482.28952	6.6
500.13516	2.3
500.23715	16.8
500.29929	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	20.3
67.93339	3.0
69.23103	2.7
69.82803	2.9
70.85939	2.9
71.08641	24.2
72.44122	3.0
81.31504	3.1
89.06033	100.0
105.36928	3.6
120.19627	3.4
133.08614	28.5
135.35550	3.4
147.67961	3.4
177.11267	5.7
177.37001	3.1
195.00258	5.2
371.22876	20.1
483.35510	41.1
500.27597	3.6
500.38010	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	500.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35835	0.3
56.32224	0.3
58.06589	1.8
70.06565	0.3
72.08157	7.6
84.08121	1.7
86.09701	0.5
89.03891	0.6
99.33458	0.4
105.07003	0.6
112.11245	6.8
113.16346	0.4
117.03401	3.2
129.13869	2.3
137.05988	6.1
137.09593	0.7
145.02856	39.1
149.05986	1.9
155.11804	2.8
157.10075	0.6
173.13290	0.8
175.14792	0.4
177.05469	100.0
179.07101	2.7
187.53183	0.4
199.14790	0.4
217.15866	0.9
234.11253	44.6
236.12813	0.5
250.10742	0.6
250.11504	0.6
250.14388	11.5
267.17084	0.9
267.41409	0.4
279.17099	0.5
307.20163	14.3
324.22824	18.0
393.82474	0.4
500.27579	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.276
Annotation	AZD-9291
Peak:m/z	Relative Intensity
58.06609	7.5
59.07384	3.8
60.08180	16.2
65.17885	0.7
70.06597	7.1
72.08160	5.5
74.02456	6.7
84.04511	0.9
84.05630	1.2
84.08154	6.0
85.02892	1.2
86.09721	3.7
91.05482	3.7
95.04970	1.9
103.05479	3.9
105.07042	6.3
113.05991	1.3
119.04964	3.5
121.06520	1.0
123.04407	4.2
128.50247	0.8
130.08630	3.5
131.04935	9.9
132.33487	1.0
136.07558	6.9
144.39760	0.8
145.02853	3.0
147.04433	4.4
148.07597	3.3
148.11238	3.3
163.03798	0.8
165.05478	8.0
173.09505	1.2
177.05501	4.8
177.09116	1.0
185.09740	1.0
189.09155	1.4
201.12367	1.3
202.12280	6.1
202.82349	1.1
203.10698	1.2
216.13797	1.7
218.11671	0.9
219.10211	1.0
227.69676	0.8
232.67650	0.8
248.13182	0.9
275.21140	11.5
278.14044	1.0
291.13358	1.7
455.25430	11.5
500.27658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.6
61.26609	0.3
61.72787	0.3
68.09144	0.3
70.06577	0.7
72.08160	5.3
84.08120	1.6
86.09686	2.1
86.67000	0.3
100.04522	0.3
104.10754	3.6
108.82528	0.3
112.11240	3.6
113.07096	0.7
117.03330	2.0
129.13867	1.4
137.05984	5.0
141.10185	0.3
145.02850	28.2
145.55360	0.3
149.06023	0.4
155.11790	4.6
172.14423	0.5
176.07077	0.7
177.05466	100.0
179.06999	1.9
184.07346	4.4
210.21367	0.3
219.08888	0.6
224.43286	0.4
234.11244	68.0
236.12946	0.4
250.14391	6.4
267.17120	1.3
307.20142	8.7
322.81351	0.3
324.22812	12.3
450.22760	2.7
483.24860	0.5
500.27637	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.5
61.37040	0.3
63.48505	0.4
64.69302	0.3
65.61606	0.5
70.06596	6.5
72.08160	11.4
75.09248	0.5
80.09988	0.4
80.78478	0.4
84.08153	6.3
86.09677	0.5
98.06059	0.9
98.09702	1.5
100.07574	0.5
110.09695	3.2
112.11228	2.8
113.07113	2.4
117.03329	0.5
121.06570	0.5
127.12328	0.9
129.13878	1.9
135.04428	2.3
145.02818	3.7
146.16539	2.3
147.07709	0.4
153.05450	2.3
155.11780	12.5
155.37523	0.4
162.05589	0.8
163.03897	65.1
165.05402	0.5
167.07045	0.7
172.14429	2.7
178.02573	2.0
178.08582	0.8
190.04654	0.4
193.04945	16.4
198.12410	2.2
204.10231	0.6
207.90636	0.5
218.08212	1.7
220.09679	77.3
232.09816	0.6
233.12909	0.8
234.11272	1.0
250.10585	0.8
264.12314	1.9
266.07599	0.4
284.45749	0.5
291.17078	2.2
308.19641	0.6
320.20023	0.7
321.18155	1.0
338.20746	1.8
354.13480	0.6
380.11646	0.5
412.13937	0.6
451.17966	0.5
468.21286	3.6
483.21234	0.6
500.23926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82824	0.5
55.05522	0.7
56.05014	0.8
58.06588	1.2
65.38737	0.5
68.98083	0.6
70.06304	0.5
70.06596	9.6
72.08155	13.2
76.45465	0.6
84.04472	0.7
84.08140	4.1
85.02905	1.1
88.50693	0.6
98.06023	2.5
99.06839	1.3
100.07626	1.0
107.04910	0.7
110.09692	4.7
112.07529	0.7
112.11229	2.4
113.07059	0.9
115.08708	0.7
123.04438	0.9
126.09160	0.7
127.08594	0.8
128.07086	0.7
131.04855	0.6
137.06073	0.5
145.02809	1.0
152.92960	0.7
155.11804	6.8
163.03949	1.3
165.05429	2.2
177.05453	1.2
192.10139	0.7
220.09613	3.2
221.10457	3.0
222.11252	18.5
241.08578	1.1
246.14835	0.8
253.08578	3.5
262.10843	0.6
264.12262	0.8
269.08066	9.5
293.18518	3.2
295.09634	0.8
296.09137	0.6
297.07492	1.0
310.10669	0.9
311.09113	1.3
312.08588	2.5
314.10217	3.6
336.08807	0.6
337.06833	0.9
354.09308	0.8
354.13461	6.4
355.10226	1.0
366.09491	1.2
368.10504	1.0
368.14935	20.6
369.14554	0.7
370.12659	1.1
371.15903	1.0
386.16690	0.7
393.14307	2.8
394.12851	9.3
396.14178	0.9
401.18872	3.3
411.15411	1.3
412.13821	5.5
413.17184	1.1
464.22095	1.0
465.20047	1.3
468.21552	0.9
482.22717	8.2
500.24197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75927	0.4
61.82850	0.4
64.12191	0.4
67.78179	0.5
69.03414	0.5
70.06594	0.9
72.08164	17.8
75.09250	3.5
78.62704	0.5
81.03415	0.9
84.08147	0.7
85.02899	0.8
88.75930	0.5
89.03867	0.5
92.18388	0.7
95.04931	0.5
107.08559	0.6
109.02908	0.8
109.10170	0.5
110.24029	0.5
112.11284	3.3
119.08585	3.9
120.08939	1.0
127.03930	1.0
129.13876	5.0
135.04427	0.8
135.95242	0.5
145.02856	0.9
146.16554	5.1
147.04414	0.5
149.24374	0.6
150.03188	0.7
155.11804	3.0
163.03900	33.1
165.05469	0.8
178.02640	10.1
193.04973	76.8
218.08127	15.4
220.09694	55.7
220.12917	0.7
222.11136	0.6
233.15468	2.4
233.62863	0.5
234.15710	4.3
237.12274	1.7
264.12262	2.6
291.16968	6.1
308.19742	7.1
338.20807	2.3
418.89523	0.6
500.23911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08937	0.6
58.06596	3.6
70.06601	4.8
72.07756	0.7
72.08160	17.4
77.23982	0.6
78.16219	0.7
84.08155	9.4
89.10702	0.6
98.06066	0.8
98.09645	0.6
100.07622	1.1
112.11252	25.8
113.07127	21.6
114.09163	8.3
127.08677	0.9
129.13873	9.9
137.45969	0.6
155.11790	100.0
163.03931	2.9
172.14439	16.4
198.12445	3.7
223.07622	0.6
237.03383	0.8
237.05383	5.7
255.06514	34.2
279.06558	12.4
295.06009	3.2
297.07556	5.6
306.38300	0.7
354.13510	1.1
361.47684	0.7
368.15231	2.4
379.12857	3.6
380.11438	2.6
392.33252	0.8
392.64969	0.7
397.13879	9.7
450.20151	1.2
468.21301	99.0
500.23947	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	500.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10032	0.2
51.51417	0.2
52.58064	0.2
54.67331	0.2
55.01892	2.7
55.05505	0.9
56.05041	0.5
58.06356	0.3
58.06614	6.6
70.06602	6.7
70.06976	0.3
71.97187	0.2
72.08163	29.1
84.04501	1.5
84.08153	19.4
86.47344	0.2
87.04486	0.3
89.10789	0.5
92.17783	0.3
95.06073	0.3
98.06068	2.7
98.09705	1.6
99.09255	0.3
99.53292	0.2
100.79159	0.2
106.66503	0.3
110.09666	2.1
111.09209	2.5
112.11250	64.7
113.07145	6.0
114.09180	0.3
114.10348	0.2
115.08697	1.2
125.10771	0.3
126.09160	9.8
127.08666	0.4
129.10229	0.4
129.13882	21.8
130.12299	0.2
134.47444	0.2
143.11823	1.3
153.16559	0.2
155.11798	24.5
163.03918	1.0
163.81473	0.2
169.09718	0.5
172.14409	3.3
182.16571	1.3
183.14920	8.6
187.10858	0.4
200.17590	13.7
218.08118	0.4
227.07037	0.5
234.11218	0.3
235.07602	0.3
237.05363	0.3
241.04884	1.8
251.07025	0.4
255.06532	6.8
259.05884	1.8
267.06561	0.9
269.04446	57.3
279.06543	2.4
280.06012	2.3
281.04559	2.2
281.08038	1.0
282.07739	1.1
294.07590	0.5
295.05911	3.6
296.09186	0.5
297.07620	5.6
298.10797	0.4
304.06216	0.3
306.07764	0.4
307.06079	1.4
308.09061	0.4
322.07098	7.6
323.05530	11.9
324.08728	1.0
325.11957	1.2
326.10233	19.7
334.10782	1.3
336.08701	1.0
338.10239	0.6
340.08307	0.5
352.11963	0.5
354.13455	0.9
361.11633	0.3
362.10315	0.4
368.14847	0.3
379.12946	6.4
380.11322	9.0
386.55801	0.2
393.14209	1.9
394.12769	4.7
397.13971	7.3
397.23520	0.3
423.15390	0.3
433.17712	0.3
450.20270	2.9
451.18549	5.9
456.30847	0.4
468.21317	100.0
500.23938	82.7
500.31631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05051	0.4
58.06598	1.8
70.06583	3.9
72.07806	0.6
72.08161	11.0
75.99920	0.4
84.08119	2.6
86.06093	0.4
86.09722	0.4
90.41055	0.4
94.52123	0.4
95.06037	0.4
98.06038	1.0
101.07156	1.0
110.09695	0.7
112.11224	1.6
113.07112	2.4
115.08692	0.5
124.28363	0.4
129.13806	0.9
137.05971	1.9
145.02867	0.7
150.03125	1.1
153.05476	1.8
155.11790	18.6
155.13063	0.9
163.03899	13.1
165.05447	3.1
167.06966	1.6
170.09671	0.5
172.14467	3.5
177.05455	2.8
193.05003	5.1
199.07547	0.8
201.12720	2.9
218.08202	0.8
219.08815	3.2
220.09680	36.2
234.07680	1.0
234.11148	2.1
235.08495	3.6
250.10649	1.1
250.14256	0.6
264.12500	0.6
287.09122	11.3
303.15970	1.8
313.07001	6.5
370.12662	3.2
411.15356	1.1
412.13943	0.8
429.16931	0.5
429.22876	0.5
440.21909	0.9
477.15915	0.9
482.23203	0.6
483.21225	2.3
500.23880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
55.95624	0.8
56.00035	0.8
58.06609	6.7
58.71714	0.8
70.06595	7.1
72.08160	31.1
73.81502	0.7
84.08150	19.7
85.02927	1.6
87.19028	0.8
96.15786	0.9
96.52641	0.9
97.02927	1.0
98.06039	6.7
98.09673	1.1
109.02922	1.0
111.09224	1.8
112.11246	59.2
113.07146	6.0
115.08709	2.0
126.09152	12.6
127.03951	1.7
129.13887	21.1
136.15955	0.9
155.11797	25.4
163.03902	12.0
163.04979	0.8
164.04184	7.0
172.14511	3.4
173.54976	0.9
182.16550	1.1
183.14880	7.0
200.17592	12.6
201.79211	1.0
228.46039	0.9
242.60011	0.9
255.06467	6.4
269.01572	2.3
269.04443	58.7
279.06824	1.1
280.06351	1.8
281.04510	1.3
295.06064	1.5
297.07761	4.2
322.07266	5.7
323.05515	11.9
325.09491	1.2
326.10220	21.8
362.10403	0.9
379.13092	6.0
380.11179	8.2
394.13171	4.1
397.14127	5.8
433.09985	0.9
450.20392	3.6
451.18967	5.2
468.21298	100.0
500.24310	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82824	0.5
55.05522	0.7
56.05014	0.8
58.06588	1.2
65.38737	0.5
68.98083	0.6
70.06304	0.5
70.06596	9.6
72.08155	13.2
76.45465	0.6
84.04472	0.7
84.08140	4.1
85.02905	1.1
88.50693	0.6
98.06023	2.5
99.06839	1.3
100.07626	1.0
107.04910	0.7
110.09692	4.7
112.07529	0.7
112.11229	2.4
113.07059	0.9
115.08708	0.7
123.04438	0.9
126.09160	0.7
127.08594	0.8
128.07086	0.7
131.04855	0.6
137.06073	0.5
145.02809	1.0
152.92960	0.7
155.11804	6.8
163.03949	1.3
165.05429	2.2
177.05453	1.2
192.10139	0.7
220.09613	3.2
221.10457	3.0
222.11252	18.5
241.08578	1.1
246.14835	0.8
253.08578	3.5
262.10843	0.6
264.12262	0.8
269.08066	9.5
293.18518	3.2
295.09634	0.8
296.09137	0.6
297.07492	1.0
310.10669	0.9
311.09113	1.3
312.08588	2.5
314.10217	3.6
336.08807	0.6
337.06833	0.9
354.09308	0.8
354.13461	6.4
355.10226	1.0
366.09491	1.2
368.10504	1.0
368.14935	20.6
369.14554	0.7
370.12659	1.1
371.15903	1.0
386.16690	0.7
393.14307	2.8
394.12851	9.3
396.14178	0.9
401.18872	3.3
411.15411	1.3
412.13821	5.5
413.17184	1.1
464.22095	1.0
465.20047	1.3
468.21552	0.9
482.22717	8.2
500.24197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27610	0.3
54.49997	0.3
55.05514	0.3
58.06596	0.7
60.04532	0.7
69.07049	0.3
70.06279	0.4
70.06600	5.6
72.08161	13.4
84.04526	1.2
84.08157	5.3
85.02913	0.4
98.09668	0.3
99.06866	0.3
100.07639	0.5
101.07130	0.5
102.05465	0.4
110.09673	2.0
112.11259	2.9
113.06328	0.7
113.07133	17.9
114.10326	0.3
129.13884	1.3
130.05002	5.7
135.04488	0.4
137.05978	1.4
145.02858	7.6
155.11797	100.0
162.05537	0.6
163.03897	5.3
167.07083	0.6
172.14447	19.8
177.05473	34.5
191.10713	0.8
193.04956	1.7
198.12335	0.3
215.42278	0.4
216.10208	0.6
218.08012	0.4
219.11208	4.1
220.09714	2.2
220.11752	0.4
221.12915	2.3
234.11259	19.7
236.12680	0.6
250.10823	0.3
250.14432	2.1
255.06506	11.1
257.08054	0.5
269.07849	0.5
285.08841	0.4
290.18680	0.7
291.19424	0.6
297.07626	2.9
300.12317	0.5
307.16980	0.3
307.20166	2.8
312.12292	0.4
313.08887	0.6
324.22867	2.9
368.14932	5.3
393.08466	0.4
429.46317	0.3
451.18738	0.4
468.21329	17.8
484.22903	1.3
485.72345	0.6
500.23987	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	500.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57912	0.4
58.06600	0.7
60.08185	0.4
62.81775	0.3
63.62225	0.3
70.06598	7.8
72.08167	9.6
80.46608	0.3
81.03419	0.4
84.08132	2.9
85.02903	0.4
86.09683	0.4
90.97287	0.4
92.15462	0.4
98.06065	0.8
98.09754	0.5
101.07142	0.5
110.09661	2.1
112.11241	3.2
113.07127	7.8
113.78847	0.4
115.25603	0.4
116.48895	0.4
123.04417	2.7
127.03932	0.6
127.08707	0.5
129.13896	0.8
135.04411	1.5
141.10268	0.4
144.08133	3.3
145.02881	0.5
147.04422	0.7
153.05434	0.7
155.11792	37.1
162.09175	0.5
163.03900	20.8
164.07072	0.6
165.05455	4.6
166.06204	0.7
167.07028	0.5
170.09613	7.1
171.10464	1.7
172.14436	6.6
175.53276	0.4
177.05453	0.7
178.02592	0.8
190.08662	0.8
192.06564	1.4
193.04962	12.4
198.12372	0.5
202.14708	1.4
217.07295	7.5
218.08156	7.2
220.09683	27.9
234.07590	2.2
234.11172	0.9
234.15701	0.5
235.23329	0.4
236.12897	4.1
248.09190	5.5
249.10033	2.3
250.10751	4.9
270.05042	0.4
273.15814	0.4
280.20670	0.4
290.18619	0.9
291.17072	2.9
308.19543	2.8
320.19733	1.8
321.18018	0.5
468.21539	0.5
483.20190	0.5
500.23978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30976	1.0
52.72675	1.0
53.96513	1.3
56.40876	1.1
56.57180	1.2
58.06606	3.5
67.96420	1.3
70.06601	11.9
72.07803	2.0
72.08163	37.7
84.08152	12.4
85.02905	1.4
89.10786	6.5
92.17807	2.7
100.07622	6.4
111.09212	1.9
112.11239	27.9
114.10302	3.1
126.09152	3.5
129.13890	11.9
130.04964	1.4
137.05986	100.0
155.11807	14.5
163.03885	30.6
164.04263	5.9
170.27711	1.6
183.14859	2.4
188.07101	9.3
189.07434	5.8
200.17604	3.0
210.55936	1.6
220.09619	1.8
234.11320	5.9
251.13878	7.3
255.06674	2.2
259.06042	2.4
269.04428	16.9
269.07098	1.5
269.07944	1.4
271.06140	1.8
273.11246	2.2
285.11127	2.0
295.06049	1.6
303.12436	8.9
307.50461	1.4
313.07150	6.1
322.07156	2.3
323.05682	2.9
326.10284	8.5
341.10480	1.9
380.11459	5.8
397.13736	1.9
413.17096	3.2
456.19473	2.2
468.21249	55.4
482.22864	2.2
500.24249	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63231	0.4
67.05521	0.5
67.82162	0.5
70.06601	3.3
70.26921	0.4
72.08163	13.0
83.88618	0.5
84.05642	2.4
84.08139	1.1
86.09704	0.7
112.11292	1.1
113.07134	19.4
121.02856	0.5
130.06561	1.0
135.11885	0.5
145.02834	4.2
155.11803	100.0
170.09619	0.9
172.14453	17.9
174.11511	0.8
177.05461	14.0
196.11244	2.1
197.11584	1.2
198.09041	0.7
199.09540	2.1
208.52022	0.6
219.70291	0.5
222.61208	0.5
224.10561	1.0
234.11255	8.1
236.12888	1.2
242.11740	2.1
243.12187	2.7
255.06523	13.2
269.08096	0.7
297.07513	2.7
307.20132	1.1
324.22992	2.0
368.14868	5.3
450.22736	0.8
468.21313	18.2
500.23572	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	500.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73933	0.1
54.92794	0.1
67.42853	0.1
70.06590	0.2
72.08144	0.3
75.74337	0.1
79.68230	0.2
85.02892	1.0
97.02895	0.3
101.31760	0.2
107.48858	0.1
121.06512	0.2
122.03665	0.8
126.28413	0.2
135.04405	0.2
137.05983	100.0
145.02853	0.2
147.04419	0.3
149.06039	1.1
151.07538	0.8
163.03891	1.6
164.04239	0.9
177.54518	0.2
179.07053	2.3
180.08731	0.2
181.06563	0.3
195.08022	0.2
209.06023	0.3
209.17839	0.2
213.09155	1.2
225.08926	0.2
239.13297	0.2
241.08554	1.3
253.08565	0.7
273.11224	3.5
285.11176	2.7
303.12283	6.9
500.19748	1.1
520.39679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	0.5
70.06593	2.2
72.08156	4.1
73.81284	0.3
74.50282	0.3
79.05493	0.6
84.08152	2.7
93.27760	0.3
95.06093	0.5
103.05452	0.5
105.07037	100.0
109.02893	0.3
112.11240	8.2
113.07111	1.1
115.08714	0.3
122.09670	65.0
126.09075	1.0
129.13913	3.0
144.95695	0.3
155.11819	4.3
172.14510	0.6
177.05624	0.4
180.29025	0.3
183.14996	0.5
200.17604	1.5
218.08131	1.2
223.07593	0.3
233.06081	0.3
251.07086	0.7
253.57768	0.3
255.06454	0.7
269.04431	7.2
269.07776	0.5
272.18921	0.3
279.06534	0.6
280.06369	0.3
295.06076	0.5
297.07724	0.4
322.07147	0.6
323.05603	1.3
326.10229	1.7
379.13028	0.8
380.11322	0.7
397.13885	0.6
451.18845	0.5
456.30725	0.7
468.21277	15.8
500.23828	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2812
Annotation	(-)-Conglobatin
Peak:m/z	Relative Intensity
50.69801	0.3
50.96567	0.3
51.83266	0.2
55.28087	0.3
58.06566	0.7
59.53614	0.3
67.05456	0.3
69.27129	0.3
70.06539	0.5
72.08096	0.3
75.07359	0.4
105.07014	0.4
107.08497	0.6
120.36602	0.3
133.10106	0.6
135.08032	0.3
155.05936	0.5
160.07581	34.1
161.08331	0.6
161.09596	0.5
170.09612	1.6
171.08182	0.4
174.09102	0.8
184.43430	0.4
186.09149	100.0
187.09930	30.6
202.11017	0.8
203.07053	0.7
209.10745	3.0
217.13326	4.3
218.14142	23.2
237.10204	4.9
281.09286	1.8
309.66635	0.4
418.59381	0.3
481.30420	0.4
490.48904	0.4
499.28867	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.7
55.05512	18.7
60.35674	4.3
61.02929	37.7
67.05510	55.3
69.03423	24.9
69.07085	35.3
73.02914	11.0
79.05470	15.6
81.03419	9.1
81.07072	68.2
83.04977	7.0
83.08597	10.8
85.02916	36.6
91.03954	24.1
91.05467	8.8
93.07043	25.1
95.08624	40.7
97.02914	40.1
97.10129	5.6
99.04454	7.9
101.02328	8.2
105.07007	7.0
107.08630	8.3
109.10173	22.7
119.08607	8.1
121.10175	19.1
125.12153	4.4
127.03933	9.9
133.10124	20.6
135.11752	5.9
145.02872	6.1
163.22575	4.6
166.62581	5.4
177.05478	10.6
236.15001	19.7
237.15381	8.3
249.79866	4.9
263.23575	9.1
337.27493	49.5
343.26001	5.6
481.31409	10.5
499.32748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09948	4.1
57.93197	3.6
60.79243	4.2
63.07064	4.3
67.05503	25.0
69.03445	5.1
69.07079	6.1
85.06554	9.0
86.09724	6.7
91.05508	5.3
93.07053	23.4
95.04978	62.6
95.08614	6.1
97.06547	5.3
105.07014	21.0
107.08599	60.5
109.10171	53.2
117.06995	7.6
119.08589	56.2
121.06512	11.1
121.10132	10.6
123.08073	8.2
125.09606	21.5
131.08585	7.2
133.10118	17.2
135.08061	68.6
137.09628	100.0
144.08122	18.7
145.10138	9.5
147.08061	77.8
147.11682	8.6
149.09633	11.4
153.09067	8.5
154.09946	5.7
157.10056	7.1
161.09610	33.0
161.13261	7.9
163.11168	6.6
170.09631	68.6
170.10901	7.8
171.10144	35.7
171.11644	6.5
173.09653	6.3
175.07571	62.0
175.11127	16.5
175.14856	10.4
185.13243	11.7
186.09138	9.0
189.12769	19.9
193.08548	4.9
203.14410	24.6
205.13449	7.8
213.12781	32.7
231.13887	25.3
233.12785	48.1
234.11177	6.0
235.90462	5.1
249.14874	73.3
254.56499	5.2
343.66525	5.2
405.46268	5.9
463.26096	23.1
481.26715	10.1
490.40646	5.6
499.31198	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	499.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71446	0.9
54.42910	0.8
64.10829	0.9
66.55518	0.9
67.05502	1.2
69.03406	1.5
70.75920	0.9
71.04963	1.1
81.07059	1.8
83.05007	1.5
84.04485	1.2
93.07069	1.2
95.08598	1.7
105.07037	15.1
107.08609	1.3
112.19735	1.0
113.08595	1.0
119.08566	8.1
121.06511	11.6
121.10184	1.2
122.09687	8.8
131.08517	1.5
133.10159	2.3
135.08057	5.9
143.08585	2.0
145.10143	4.8
147.08058	14.2
149.09619	8.0
157.10057	1.9
159.08052	100.0
159.11682	2.5
160.07584	1.5
161.09584	8.3
165.06898	1.1
171.08093	4.0
171.11638	1.9
173.09584	16.5
173.53970	1.0
177.09090	8.4
185.13193	1.9
186.09135	6.9
187.09831	1.7
189.12753	4.0
197.42656	1.1
198.10422	1.7
201.12798	4.7
203.14326	1.1
205.13367	1.5
207.13831	6.4
213.12723	11.1
218.74135	1.0
231.13670	8.3
233.12808	4.6
234.11206	6.5
249.14862	6.5
251.13913	32.3
283.06027	5.2
397.13751	1.0
451.25995	1.5
462.49951	1.5
481.26660	1.8
495.97485	1.3
499.27567	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	499.2806
Annotation	(-)-Conglobatin
Peak:m/z	Relative Intensity
55.05521	2.9
58.06110	1.8
59.49071	1.6
66.94047	1.5
67.05503	8.8
69.03413	1.7
76.39530	1.8
81.07069	3.0
84.04526	15.4
91.05481	4.7
95.08612	99.5
105.07047	82.2
107.08609	10.0
109.02847	2.1
117.06999	3.2
119.08590	100.0
121.06522	11.2
121.10166	3.7
122.09687	48.9
131.08580	9.4
133.10147	3.9
135.08054	21.8
142.69202	1.8
143.08583	12.6
145.10091	2.9
147.08047	4.7
147.11684	2.6
151.07536	29.3
156.09373	1.9
157.10100	14.4
159.08020	2.8
161.09557	4.3
163.07565	2.0
165.07007	9.2
171.08087	3.8
171.11797	3.4
173.09676	2.2
175.07523	11.7
175.11162	13.7
175.14813	2.0
180.09288	22.8
185.13252	4.2
187.12363	14.3
187.14856	3.4
188.10713	28.8
195.11729	50.8
203.14360	3.8
205.13377	47.1
213.12764	23.3
221.15488	2.0
231.13858	11.9
232.15628	1.9
233.12865	82.4
234.11314	11.9
251.14038	9.4
299.87787	2.1
329.63507	1.9
411.74969	1.9
458.86603	2.1
481.27094	29.6
499.28122	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32212	1.3
71.04975	1.5
81.07044	3.1
83.04991	14.0
84.04469	2.6
92.17887	2.7
93.07018	3.9
95.08553	2.2
105.06396	2.0
105.07034	28.4
107.08591	3.5
107.44744	1.4
109.06492	3.5
109.10173	2.2
111.04443	33.5
119.08594	12.2
121.10110	3.9
122.09676	16.0
130.12108	1.6
131.08527	7.6
133.10069	2.6
135.07988	2.6
144.08003	3.5
145.10088	11.1
147.08015	2.5
160.07587	32.2
161.13148	2.4
170.09676	22.4
171.10042	9.5
171.11549	3.1
172.10684	2.5
173.09616	15.4
186.09152	100.0
187.08495	2.2
187.09915	37.9
187.11679	2.5
187.12202	2.8
189.12709	3.5
191.10587	3.1
202.14450	3.3
205.13332	2.9
217.13350	2.3
218.14142	31.5
231.13829	2.8
233.12840	16.7
234.11148	10.2
249.14679	2.7
251.11867	1.6
251.13884	26.8
481.26898	1.9
499.27673	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94051	0.8
58.06605	2.2
58.13757	0.8
70.06579	2.1
72.08167	14.8
75.09239	1.1
80.13624	0.9
82.96071	1.0
84.04536	1.3
84.08162	3.8
86.06069	1.9
94.41323	0.9
100.07609	6.7
106.43305	0.9
110.99544	0.9
112.07616	22.4
112.11250	2.0
129.13860	1.0
138.05299	1.0
155.11780	2.1
158.03473	0.9
220.09776	2.2
258.07675	1.4
284.09152	1.9
286.10693	1.1
312.08685	12.0
314.10260	1.1
326.10394	1.2
328.11884	6.1
336.08795	1.7
353.11368	1.6
354.09683	7.6
363.67142	1.0
370.13443	0.9
385.17892	1.0
411.15475	11.3
457.32785	1.2
478.46429	1.2
481.24463	1.3
482.22879	3.6
499.25562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88232	0.2
53.59633	0.2
58.06598	1.0
70.06597	4.0
72.07801	0.4
72.08161	7.8
73.93572	0.3
74.06575	0.2
84.04532	0.3
84.08141	2.1
98.06042	0.3
98.09709	0.4
100.07616	1.6
110.09683	1.1
111.10500	0.3
112.07600	1.5
112.11243	3.3
113.07139	0.4
114.09164	0.4
125.10730	0.4
126.09151	1.5
129.12914	0.2
129.13834	1.9
137.06029	0.3
138.05536	0.3
146.16534	0.4
155.11798	5.1
172.14471	1.6
178.05045	2.0
190.05020	0.3
192.06596	1.3
202.08516	0.3
204.79897	0.3
234.11267	0.4
258.07651	1.4
265.15466	0.4
272.09222	1.0
282.11374	0.3
284.09073	2.1
286.10779	1.5
294.07596	0.6
300.08710	1.0
308.09195	0.5
308.19775	0.3
309.20435	0.4
310.21185	0.4
311.10333	1.2
312.08685	10.0
314.10233	4.3
325.11972	1.3
326.10233	1.2
328.11914	1.3
329.07779	0.3
329.11240	2.0
336.08636	2.8
337.12109	0.3
338.10367	1.2
341.11499	0.4
353.11288	3.6
354.09683	9.9
356.14090	0.5
357.14447	1.0
361.11725	0.3
379.12949	1.3
382.17569	1.4
383.16125	2.3
393.14514	1.2
400.18701	15.5
410.17212	1.4
411.15509	7.3
413.17194	0.3
425.16992	2.1
481.24908	1.9
482.22903	3.1
499.25562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	3.6
64.24629	0.5
70.06598	4.3
72.08167	14.5
75.09225	0.8
79.66734	0.5
84.04491	0.8
84.08163	5.8
86.06066	0.9
87.62373	0.6
88.69407	0.5
100.07632	8.7
103.90923	0.6
110.09693	1.0
112.07610	17.1
112.11240	3.8
125.81686	0.7
129.13844	0.9
155.11777	3.9
163.03871	1.0
166.58688	0.7
178.04990	0.9
190.04999	1.0
192.06616	2.5
193.93097	0.6
220.09688	2.8
223.88986	0.6
258.07608	1.0
272.09070	0.6
277.30609	0.7
284.09100	4.4
286.10739	2.8
294.07727	0.8
310.10709	0.7
312.08707	16.1
314.10178	2.7
326.10144	0.9
328.11899	3.3
330.13306	0.8
336.08902	1.4
353.11420	2.6
354.09711	10.1
400.18649	2.4
411.15491	14.1
412.18286	0.8
413.17490	0.8
425.17230	0.9
481.24554	1.2
482.22809	2.8
499.25519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05506	2.8
57.41970	0.5
63.10225	0.5
66.52998	0.5
70.06585	2.3
72.08161	21.1
84.08125	0.6
89.10790	4.7
98.06063	15.1
114.09164	0.8
115.08695	14.3
116.98541	0.5
123.04435	7.8
134.28563	0.5
135.04404	3.4
136.05219	2.0
137.02396	0.8
143.04932	3.8
145.31851	0.5
147.04407	0.6
159.04443	3.0
160.05196	0.6
161.02321	2.8
161.05998	2.1
163.03923	6.5
175.03955	0.7
187.03914	21.8
192.10040	1.3
193.04939	0.6
205.06520	2.9
223.07521	8.2
224.04659	0.7
225.05502	0.5
227.07036	3.4
233.05984	13.8
237.05594	0.6
239.42842	0.5
241.05069	0.8
241.08559	0.8
242.05919	0.7
249.05437	0.5
251.07027	41.4
253.05014	0.9
255.06514	5.2
261.05411	6.1
267.06555	0.9
269.08041	11.0
271.09726	0.5
277.05078	0.7
279.06528	68.5
281.04541	0.9
295.05981	6.0
297.07590	48.8
322.07190	0.7
323.05453	6.7
342.34674	0.5
368.14807	0.7
385.17627	7.6
411.15469	18.7
482.23111	0.8
499.25549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
55.66280	0.3
58.06614	5.3
64.29230	0.4
70.06596	5.0
72.08163	20.0
75.09241	1.4
81.07066	0.5
84.04528	0.6
84.08152	5.8
85.02895	0.8
86.06092	1.3
92.18472	0.8
98.06075	0.4
100.07623	9.0
105.01801	0.4
107.08620	0.6
110.09686	1.6
111.09229	0.8
112.07612	18.4
112.11238	3.6
123.04447	0.7
127.03956	0.4
127.08727	0.5
129.13896	0.9
133.10114	0.5
135.04459	0.5
155.11798	4.9
163.03922	3.9
164.07094	0.6
177.05547	1.7
178.05005	2.3
190.04929	0.5
192.06607	2.3
210.12895	0.4
218.08109	0.4
220.09660	5.2
221.10431	0.4
222.11281	0.9
231.04890	0.4
233.15413	1.5
236.11845	0.4
251.16414	1.6
255.08931	0.6
268.09570	0.4
270.61267	0.4
272.09387	0.4
274.10669	0.4
281.06836	0.5
284.09177	2.4
286.10834	1.8
292.17978	0.5
294.07605	0.7
295.08255	0.6
296.09183	0.5
300.08771	0.6
308.09338	0.5
310.10773	0.5
312.08664	19.7
314.10281	1.9
326.10333	1.7
328.11792	4.0
336.08667	2.7
353.11365	0.6
354.09747	10.3
356.11438	0.5
385.17624	1.9
393.14499	0.7
410.17374	0.8
411.15527	20.2
413.16910	0.7
481.24551	0.8
482.23083	0.9
499.25565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	5.1
64.13477	0.5
70.06596	4.7
72.08159	21.7
75.09226	0.7
81.07045	0.6
84.04478	1.1
84.08150	7.1
85.02921	1.0
86.09680	0.6
93.07097	0.9
98.09658	0.8
100.07650	8.8
105.07001	0.7
107.04913	0.6
107.08554	0.9
110.09695	1.2
112.07607	17.5
112.11252	4.1
119.82478	0.7
129.13878	1.4
133.10240	0.8
137.05975	0.7
137.09576	0.6
145.02890	2.4
145.10133	0.8
146.03232	0.6
149.42419	0.6
155.10732	0.6
155.11824	4.6
163.03917	4.0
164.07097	1.0
170.09619	0.9
173.13278	0.7
176.31464	0.6
177.05511	4.6
178.04962	1.4
189.59633	0.6
190.04956	1.2
192.06592	2.5
197.04414	0.8
206.96085	0.7
220.09795	5.4
233.15393	1.5
251.16513	1.0
256.13290	1.4
268.09702	0.9
274.11050	0.8
284.09238	2.8
284.15451	0.7
286.10889	1.3
288.50369	0.6
302.16837	0.9
308.09311	0.8
312.08627	18.9
312.12097	0.7
314.10251	1.3
326.10535	1.1
328.11810	4.4
336.08691	3.1
353.11307	1.0
354.09753	12.1
379.95020	0.7
385.17792	0.9
410.17230	1.3
411.15488	22.4
482.17441	0.8
482.23627	1.4
499.25662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95143	0.6
55.05516	0.6
56.62791	0.6
58.18496	0.6
67.05505	1.1
70.06598	1.6
72.08161	31.9
75.64420	0.7
81.62576	0.7
89.10798	27.8
93.07030	0.9
94.67025	0.7
107.08592	0.9
113.33154	0.7
115.08696	1.2
125.79285	0.7
135.04398	1.1
142.92798	0.7
144.08275	0.7
145.02826	2.9
160.07587	0.9
161.05873	0.7
163.03902	100.0
170.09610	1.4
184.24060	0.7
186.09180	1.6
189.09151	2.6
191.07034	1.4
207.10170	26.7
234.11255	21.6
249.11212	7.1
250.71008	0.8
251.13893	83.1
396.90259	0.7
402.41913	0.7
499.24197	14.7
499.29993	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	499.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12989	0.3
58.06610	1.4
66.54082	0.3
70.06608	0.3
81.07056	0.7
82.46897	0.3
93.07080	0.5
95.08646	0.6
96.17574	0.3
105.07046	0.8
107.08637	0.5
121.10162	0.6
122.09632	0.4
155.06062	0.4
159.11688	0.5
160.07579	37.1
161.08360	0.4
170.09653	4.4
171.10391	0.7
174.09135	1.8
186.09152	100.0
187.09929	23.8
203.07047	1.9
209.10744	6.1
217.13400	4.7
218.14148	22.3
218.34766	0.3
219.15001	1.5
237.10234	12.1
255.21088	0.4
264.07050	0.3
273.55215	0.4
281.09232	6.1
337.23685	0.6
363.96613	0.3
481.29779	0.4
499.23248	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	499.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00988	0.4
59.04991	2.3
61.27555	0.5
63.06805	0.5
70.06580	1.3
72.08157	16.1
77.18810	0.6
79.83914	0.5
89.10789	13.5
97.84449	0.5
103.41261	0.5
115.08718	0.8
145.02826	0.8
149.05937	0.8
163.03894	45.1
165.09047	1.0
173.05931	2.3
189.09155	6.2
191.07043	12.1
207.10161	100.0
207.47264	0.6
228.08833	0.5
234.11230	12.8
249.11208	23.2
250.13139	1.1
251.13884	27.0
319.34824	0.5
337.07181	1.0
412.40610	0.6
481.29688	1.2
499.24380	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59222	0.6
53.35011	0.6
57.00622	0.6
58.06597	1.0
61.24410	0.6
67.05517	1.0
69.03431	1.6
70.06584	1.0
72.08152	2.8
77.60168	0.6
81.07042	0.8
82.67410	0.7
85.02882	0.9
92.98018	0.7
95.04961	4.3
104.10032	0.9
111.04437	1.1
116.26203	0.8
130.06532	23.8
131.07307	8.4
143.07292	3.0
143.08469	1.3
144.08112	0.7
145.02826	0.7
152.64009	0.7
159.09152	0.9
167.07211	0.9
168.08072	5.5
169.08850	4.0
170.09666	21.9
174.11539	30.2
177.05470	3.8
178.05789	1.4
180.08081	3.2
181.08856	10.3
182.09634	2.9
183.06805	9.5
184.11192	5.3
185.13194	1.0
186.09163	1.4
194.09624	1.3
196.11243	38.5
197.08371	9.6
198.09160	72.7
209.08434	0.9
210.09157	4.0
212.10730	13.7
220.11319	1.1
220.93855	0.9
222.12784	1.5
224.10716	19.0
230.18181	0.8
234.11281	1.2
241.18784	0.8
242.11749	7.8
248.10603	5.2
250.12289	5.0
266.11780	6.5
268.13333	1.6
312.12201	3.9
442.15057	1.4
456.16095	1.0
468.16599	7.8
486.37204	0.9
499.20688	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32578	0.7
57.04280	0.7
58.06614	0.9
58.95295	0.8
60.94001	0.7
61.79213	0.8
65.03939	2.1
67.05493	4.2
67.62712	0.7
69.67614	0.8
70.06589	1.6
78.09402	0.9
83.04997	1.5
85.75347	0.9
93.03388	5.0
93.07026	1.5
95.04987	7.6
103.52537	0.8
111.04449	8.2
117.05734	3.9
119.08570	1.4
121.02844	12.1
126.12788	3.8
130.06529	19.1
131.07306	12.9
139.03891	4.6
139.26822	0.9
143.07318	4.9
143.08513	1.2
144.08087	3.5
163.03906	1.1
167.07399	1.3
168.08086	5.9
169.08862	3.5
170.09644	7.9
173.10754	1.7
173.13232	1.0
174.10056	1.6
174.11536	37.4
181.08836	8.1
183.06790	1.9
184.11230	4.2
190.73586	0.9
191.03400	1.6
192.14929	1.5
196.11230	39.4
197.08386	3.7
198.09163	32.7
206.09579	1.3
209.04404	4.1
212.10730	7.7
216.10179	9.8
224.10730	18.4
228.10315	1.2
228.91019	0.8
229.11047	3.6
230.11642	1.5
241.11108	1.3
242.11766	49.1
250.08714	0.8
324.85126	0.8
337.03058	1.9
443.50699	1.0
468.16415	6.7
499.20712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
62.41727	0.5
65.49918	0.6
69.03410	3.3
70.06599	6.7
72.08163	15.8
73.02909	0.7
73.08488	0.5
81.03410	3.4
84.08156	4.8
85.02905	9.2
87.00822	2.0
89.10797	7.0
93.07037	0.6
97.02868	2.9
98.05985	0.5
99.04417	2.8
105.01849	2.3
109.02897	6.3
112.11207	3.0
115.08696	0.8
127.03923	9.9
127.08670	0.7
129.10226	1.0
129.13834	1.2
135.04396	3.1
145.02837	4.2
145.04962	2.4
146.06029	5.2
157.12178	0.7
159.02898	4.6
163.03902	100.0
178.31271	0.6
188.07059	11.6
205.09700	3.6
226.68042	0.5
231.04933	0.8
234.11168	4.5
234.63109	0.5
251.13858	8.6
253.69757	0.6
253.72870	0.6
279.06464	0.8
295.05798	1.9
296.06308	2.3
312.08615	6.0
353.11307	3.8
354.09775	0.6
455.19946	1.2
481.24216	0.8
482.23196	0.7
499.19073	60.3
499.25259	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	499.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38591	0.6
53.00013	0.6
53.03936	0.8
55.01868	1.3
55.05504	1.2
62.15674	0.6
69.03437	6.3
70.06586	4.8
71.04984	0.8
72.08163	15.0
73.02908	0.9
74.30886	0.7
81.03430	5.6
85.02910	16.7
87.00841	4.5
89.10783	4.5
89.12967	0.7
97.02914	6.4
98.06050	12.2
99.04449	4.4
105.01852	7.7
107.04897	0.7
109.02876	11.6
115.08686	10.9
120.54554	0.6
123.04472	0.8
127.03906	17.1
129.01842	0.9
133.02829	3.5
135.04440	5.4
136.05199	1.3
137.05968	0.8
145.02870	4.4
145.04950	4.9
147.02875	1.2
147.04420	1.1
151.03810	1.3
159.02895	8.1
161.02359	1.5
163.03902	100.0
167.07060	2.6
175.66638	0.7
187.03902	1.5
231.04944	1.3
233.10605	1.4
234.11200	5.6
239.04929	0.8
250.12996	1.2
251.13893	5.9
279.06775	0.9
295.06201	1.0
297.07626	5.4
327.02628	0.8
348.11420	0.8
378.12811	1.0
384.25519	0.7
411.15524	4.1
413.19171	1.4
455.20178	3.3
460.80801	0.7
499.19128	51.8
499.25632	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	498.9722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59810	19.3
52.54856	19.2
52.97805	22.9
58.08837	22.1
77.14593	20.9
85.02930	26.8
97.02898	36.4
98.97602	31.5
116.98597	47.5
205.34947	25.8
314.95221	48.6
330.76920	28.7
332.95871	34.6
439.22952	31.5
456.96387	100.0
469.39188	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18822	0.6
84.75989	0.8
85.02920	0.7
94.77193	0.8
98.97559	1.0
119.01938	1.4
123.13798	0.7
127.02422	7.4
132.03607	0.8
143.00214	1.1
143.01917	37.6
145.03476	14.1
155.01892	20.9
157.03487	3.1
158.99663	0.8
161.02960	20.5
163.04517	0.9
167.01929	14.9
169.03426	3.3
171.01337	9.0
173.02963	18.9
185.02966	34.5
187.04521	3.9
189.02417	5.7
197.02989	1.6
199.00873	7.3
201.00746	1.1
203.04019	10.2
203.06998	0.8
209.02899	0.9
215.03966	1.7
217.01944	54.9
227.03995	30.9
235.03008	9.8
245.05057	43.5
245.07613	1.3
257.05188	1.4
263.06183	6.3
277.04007	4.8
294.23492	0.7
301.04071	0.9
305.07306	1.6
337.06134	4.9
365.09311	3.3
383.10367	8.1
481.10309	5.1
499.11453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	1.4
57.06831	1.4
57.07088	28.7
58.06611	2.2
58.16294	1.2
68.17633	1.1
69.07062	1.4
71.08647	19.0
73.06557	1.9
77.16207	1.1
81.07013	1.9
83.08620	1.9
85.10189	21.4
87.04472	6.4
89.06036	100.0
117.09144	1.6
133.08611	31.0
144.10170	1.6
154.48975	1.1
177.11211	8.5
221.13863	1.7
236.14929	32.1
239.14996	1.3
243.23177	2.1
287.25900	7.4
289.71341	1.4
327.20218	19.1
388.24072	1.4
480.37137	1.6
481.37396	65.2
498.39044	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	498.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23534	0.4
55.05525	0.7
57.03436	1.2
58.06610	14.8
59.07387	4.7
60.08171	7.3
61.19764	0.5
62.69900	0.5
67.05497	3.2
69.07056	1.2
75.04472	0.9
79.05494	0.9
81.07070	4.2
81.49805	0.5
83.08604	0.8
87.04478	2.4
93.07038	1.1
95.08628	4.0
99.59783	0.6
105.10045	0.5
107.08629	0.7
109.10164	1.0
111.95138	0.7
113.06078	0.8
119.08620	0.6
121.10081	0.7
123.11723	0.6
131.07011	0.9
144.10190	10.2
159.06517	0.6
162.11220	2.1
180.98164	0.5
218.13895	1.2
236.14931	100.0
436.37695	1.2
480.36920	10.6
498.37900	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	6.3
59.07400	3.8
60.08186	3.8
61.48232	4.4
79.23215	4.0
80.44765	4.0
174.04111	3.8
236.14935	100.0
318.86191	4.3
398.25470	7.8
480.33084	5.3
498.34143	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.5
57.03439	1.2
58.06359	0.5
58.06609	8.9
59.07370	2.9
60.08178	3.9
67.05499	0.9
69.07069	0.8
73.02899	0.5
75.04470	1.1
81.07052	1.9
85.02911	0.9
87.04476	2.1
91.05478	0.8
96.30302	0.5
97.60812	0.5
98.25552	0.5
105.05440	0.4
113.06026	0.8
121.10133	0.6
121.71470	0.5
125.94135	0.4
131.07037	2.0
138.81197	0.5
140.53421	0.5
144.10211	7.6
162.11250	3.3
217.60152	0.5
236.14937	100.0
239.07047	0.5
480.36890	9.8
496.44833	0.6
498.37915	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58554	2.5
58.06597	13.4
60.08158	5.3
60.68815	2.2
63.74332	2.3
74.67870	2.4
75.04489	2.3
80.72662	2.4
92.18473	3.4
101.79922	2.9
144.10213	11.6
189.44810	3.2
236.14915	100.0
236.85573	2.4
246.24899	2.3
346.36609	2.9
371.37393	2.7
398.25357	12.7
467.63770	2.8
480.32819	6.2
498.34299	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	498.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
73.78845	9.7
90.24938	9.4
106.69838	11.2
111.73975	9.1
127.03308	73.4
145.04317	100.0
170.09641	49.0
185.09784	20.1
261.81448	9.0
454.30872	79.1
498.30493	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	498.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70742	1.4
51.67694	1.3
56.31131	1.2
60.08171	26.5
61.07735	1.5
63.77572	1.3
70.06593	2.3
72.08181	1.8
81.49048	1.5
95.06099	32.7
95.08625	3.3
110.13643	1.5
111.08091	2.7
112.11226	2.1
118.32407	1.6
121.04051	2.0
131.77536	1.9
139.05095	11.7
149.09570	12.7
154.13391	33.9
159.07899	1.5
163.03914	2.3
171.08043	3.1
173.09756	1.9
175.11218	8.0
182.61703	1.6
185.09641	3.5
189.12746	27.8
191.14384	1.5
198.10585	1.8
198.12399	41.7
199.11148	8.2
201.12813	2.7
203.14377	3.2
207.19479	1.8
211.05966	1.6
213.12724	11.7
215.14313	40.8
226.72716	1.8
227.14354	12.9
241.15863	22.0
283.20563	41.0
301.21536	20.9
454.34296	100.0
498.25830	8.1
498.33200	43.6
503.95886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77782	0.2
52.64794	0.2
53.97275	0.3
58.06593	0.6
59.78736	0.3
61.87577	0.3
72.85532	0.3
74.95077	0.3
84.83352	0.3
110.23526	0.3
143.07207	0.4
144.08087	28.2
145.08810	0.5
158.09669	1.4
159.10442	0.4
170.09645	100.0
171.10428	24.2
187.12392	0.6
201.13860	5.4
202.14647	14.1
248.72600	0.4
367.95596	0.4
394.99637	0.4
432.87808	0.3
498.29630	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	1.2
64.66691	0.3
70.06582	1.6
72.08150	0.4
72.61057	0.3
84.08124	0.4
85.02869	0.4
86.09747	0.3
114.10339	0.3
122.23085	0.3
126.79107	0.3
132.54532	0.3
144.08092	29.2
145.08900	0.6
154.13388	0.4
158.09616	1.4
163.03867	1.5
170.09644	100.0
171.10420	25.9
187.12379	0.6
198.12500	0.6
201.13869	5.0
202.14655	17.0
220.09599	0.3
254.00761	0.3
301.21631	0.5
308.08975	0.5
382.14676	6.9
390.29102	0.3
454.34137	0.5
456.58719	0.3
498.29626	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05051	1.1
58.06586	1.9
58.81008	0.7
60.76715	0.8
70.06602	13.7
72.07748	1.1
72.08160	28.6
75.09238	0.8
84.08154	8.7
86.09710	3.2
98.06055	1.7
100.07634	1.2
110.07182	1.3
110.09660	1.2
112.11246	14.7
113.07097	1.0
114.10281	1.0
126.05534	0.9
129.13876	7.8
139.03938	3.1
149.05962	0.9
149.07401	1.0
155.11769	14.7
163.03889	4.6
172.14465	1.1
187.03893	1.9
189.05426	7.3
199.07651	1.3
231.10379	0.8
255.06641	1.2
257.08063	4.9
267.06586	1.7
279.06546	1.0
281.08112	3.5
283.05865	1.3
295.06012	1.7
296.09244	1.3
297.07629	1.6
299.05612	1.1
307.06375	1.3
309.07495	3.4
310.04623	0.9
311.05484	1.7
321.03809	1.7
325.07040	6.9
327.08459	3.4
353.06622	7.7
378.09616	0.9
409.14148	1.8
410.12302	3.6
427.15018	1.3
481.19104	5.9
498.22318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11063	0.5
56.05038	0.5
58.06586	3.5
69.03423	0.5
70.06602	9.0
72.08162	19.9
75.09225	0.7
80.52006	0.6
84.08149	6.7
86.09704	1.2
92.17867	0.6
98.06078	1.1
100.07616	2.1
101.07126	0.5
107.85027	0.5
110.07127	0.6
110.09693	0.9
112.11254	14.6
113.07118	2.1
114.10295	0.9
117.96011	0.6
120.08147	0.8
125.09655	0.7
126.64543	0.5
127.08696	1.0
129.13884	7.4
131.04874	0.6
133.06485	0.7
139.03893	3.1
146.16534	1.0
155.11795	15.1
161.05904	0.7
163.03973	2.1
172.14468	0.8
187.03925	1.1
189.05496	8.5
193.03508	0.6
215.90329	0.7
218.07964	0.8
234.42657	0.6
239.07150	0.6
253.93381	0.5
257.08099	2.5
263.07031	0.7
267.06747	0.9
269.08023	0.6
278.32919	0.6
281.08133	3.3
283.06039	1.0
293.04355	1.1
295.05963	2.3
296.09140	0.6
297.07700	1.1
299.05576	1.1
307.05994	2.0
309.07532	3.8
311.05554	2.0
313.06985	0.6
315.75208	0.5
321.03839	0.6
325.06992	5.0
327.08630	3.8
327.12466	0.6
328.08282	0.6
340.12195	0.6
352.12061	0.6
353.06448	7.0
356.11246	0.9
368.15012	0.7
382.13138	0.7
385.17810	0.6
392.11160	0.6
410.12430	4.6
423.15942	0.7
427.15283	0.8
481.19757	2.7
498.22363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
64.78844	0.5
68.49181	0.5
70.06593	8.9
72.08160	11.8
84.08134	3.5
85.02930	0.6
91.92558	0.5
100.07557	0.6
110.09706	1.1
112.11248	3.0
113.07159	0.8
114.09150	0.7
114.10288	3.5
129.10240	0.9
130.04991	0.7
147.04424	1.1
155.11748	0.9
163.03905	4.9
172.49475	0.5
176.40404	0.5
193.03186	1.1
205.74883	0.7
218.08353	0.6
220.09732	2.4
222.11331	1.3
230.77090	0.5
295.05997	0.8
310.07166	0.7
328.08295	0.9
337.09665	1.8
350.10205	1.1
355.10751	0.6
356.11423	4.0
368.11252	19.7
378.09680	2.3
379.10461	2.8
382.13129	2.3
395.09906	0.8
409.13776	6.8
410.12347	50.4
454.22903	1.1
480.21164	2.5
483.89114	0.7
498.22366	100.0
501.91180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3605
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
51.18514	3.4
71.58736	4.0
74.51457	4.6
153.78664	4.6
158.85207	4.4
159.69839	4.7
263.16672	4.6
419.29214	4.5
497.36014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93061	0.2
61.00599	0.2
66.29874	0.3
70.06588	0.4
72.08155	0.3
72.69618	0.3
79.08792	0.2
80.68594	0.3
80.82068	0.3
88.58664	0.2
92.17836	0.3
103.05495	2.4
107.04958	0.4
120.08112	100.0
131.04921	4.2
139.03947	1.7
149.05963	2.1
166.08640	46.5
171.06526	2.1
178.27608	0.3
187.45111	0.3
251.82164	0.3
305.75244	0.3
498.24933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12509	1.4
58.05309	1.1
58.06610	15.3
59.07404	9.4
60.08172	20.2
63.13093	1.2
63.52055	1.5
69.07090	2.0
70.06607	1.8
77.44112	1.3
82.50373	1.2
84.08154	1.7
91.85798	1.4
114.12811	70.4
117.18906	1.6
124.87151	1.4
152.10716	8.6
164.14198	1.4
166.12254	2.1
173.16501	14.3
177.05466	1.9
179.46277	1.4
180.13776	1.7
214.12292	34.7
238.12686	1.4
245.16528	1.5
268.16919	1.8
280.16849	9.7
282.18713	1.5
297.19778	2.4
307.17923	8.0
322.19254	1.8
323.17484	11.7
365.25894	50.4
393.25269	5.1
447.63745	1.4
469.35425	16.8
497.34903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93214	3.4
55.01872	4.2
55.05519	14.0
56.06422	2.7
57.03443	27.4
57.59547	3.3
58.06596	13.8
59.07392	3.8
60.08174	5.1
61.02927	58.2
66.29430	2.8
67.05514	64.6
69.03435	30.4
69.07063	17.8
71.04967	3.0
73.02912	32.3
79.05504	51.4
81.03416	16.6
81.07069	70.7
83.08628	6.3
85.02918	68.1
87.04478	5.1
91.03950	31.9
91.05464	21.2
93.07040	42.0
95.08595	71.2
97.02903	54.7
99.04462	3.9
101.02408	15.3
103.03934	5.9
105.07030	7.8
107.08595	33.3
109.10192	24.4
115.03910	4.0
117.07014	6.1
119.08588	18.3
121.10159	28.6
123.11723	5.2
127.03887	21.5
131.08568	13.7
133.10127	7.5
135.11700	7.4
144.10194	5.6
145.10114	13.3
147.11646	3.7
149.13260	6.5
154.50208	3.4
159.11713	4.6
161.13213	3.7
162.11287	4.2
163.14830	3.4
164.25595	3.3
172.90640	3.8
181.25356	3.4
193.19934	3.6
214.61345	3.3
236.14931	100.0
237.15268	54.8
243.21130	5.4
261.22150	13.6
335.25793	66.0
466.05197	3.5
479.29449	5.9
479.35623	17.8
497.30908	95.6
497.36859	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58594	0.7
52.75748	0.7
58.06609	1.3
69.03416	1.0
69.10774	0.7
70.06603	2.8
80.67079	0.8
83.88686	0.8
85.02893	1.1
86.09717	1.3
96.08111	5.5
97.02840	0.8
107.06889	0.9
130.10612	0.8
136.07605	1.5
141.04852	1.4
141.12556	0.8
160.07578	4.5
174.09108	6.5
186.09285	1.1
188.10732	1.6
190.12277	4.5
198.09094	0.9
200.10657	3.4
202.12372	3.3
212.10643	4.1
215.11841	1.0
216.12456	0.9
217.13287	1.1
218.11632	0.9
223.74712	0.8
229.13350	1.3
233.16420	1.4
240.13750	1.4
242.15364	2.0
243.14928	5.2
254.11470	1.0
261.15948	36.4
268.13095	1.1
271.18018	1.3
273.19635	5.5
286.14407	1.9
299.17621	1.6
302.16434	0.9
317.18582	16.1
335.19479	6.1
359.19540	1.7
419.21643	1.9
448.19562	1.2
451.21057	1.5
479.23914	20.4
497.24969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	0.6
69.07069	0.3
77.38688	0.2
84.04502	0.3
96.08105	0.5
113.10760	0.5
114.09167	6.0
115.09508	0.4
144.08089	29.5
145.08856	0.7
158.09644	1.6
170.09647	100.0
171.10419	21.7
187.12326	1.1
198.75142	0.3
201.13901	5.1
202.14644	15.1
209.16557	0.4
223.18312	0.3
227.17641	0.4
391.96185	0.3
453.34180	0.5
497.04892	1.1
497.26462	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84969	4.4
55.05507	5.9
57.03431	29.5
61.02925	36.8
67.05521	57.0
69.03427	33.0
69.07076	10.1
71.01343	4.4
71.04971	7.3
73.02901	12.2
79.05508	37.8
81.03422	9.5
81.07063	63.3
83.08616	6.3
85.02901	45.8
91.03941	25.7
91.05506	18.5
93.07049	52.3
94.68665	5.0
95.04981	5.7
95.08617	53.8
97.02886	48.6
105.04516	4.8
105.07040	25.2
107.08595	26.0
109.02871	7.2
109.10155	30.9
113.28113	5.0
117.06994	6.7
119.08610	18.4
121.10149	23.0
127.03899	10.0
131.08575	10.9
133.10136	11.6
135.11714	26.1
145.10138	6.7
147.11604	5.5
149.13228	5.4
157.10144	5.3
159.11707	7.4
171.11713	6.3
173.13274	5.9
196.20384	5.6
226.04660	4.9
253.40448	4.8
261.22180	11.8
277.91980	5.3
335.25748	57.4
405.26544	8.6
443.27673	6.6
443.86276	5.6
461.29034	7.7
479.30280	10.7
482.50165	5.6
497.31110	100.0
510.70905	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	497.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43356	0.7
57.43085	0.7
58.06616	1.6
66.55973	0.8
70.06579	1.7
72.08159	1.0
86.09690	1.0
89.40236	0.8
94.02625	1.0
96.08105	4.5
96.11367	0.8
98.09673	0.8
136.07608	1.6
144.91119	0.9
147.00841	0.7
150.09138	0.8
152.10638	0.8
155.55890	0.7
160.07567	3.9
164.10725	0.8
170.11736	0.9
174.09145	6.7
186.09145	1.6
188.10817	1.4
190.12242	3.0
200.10664	5.0
202.12273	3.0
212.10745	3.9
215.05104	2.0
215.11856	0.9
216.12683	1.1
228.13950	1.3
229.13316	1.3
233.16475	1.3
236.14871	1.5
240.13921	0.9
242.15433	1.8
243.14946	4.0
245.16571	2.0
253.02711	1.1
261.15988	35.7
268.13327	1.3
271.17880	1.1
273.19592	4.3
299.17542	1.7
317.18591	17.6
324.06461	0.8
328.15311	0.8
335.19717	7.8
419.21976	1.1
448.19467	0.9
479.23920	22.6
497.13333	3.1
497.24930	100.0
523.57739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30380	0.3
58.06599	0.7
69.03415	0.5
70.06597	7.3
72.08160	10.8
80.96642	0.3
84.04483	0.5
84.08150	3.5
85.02911	0.4
86.06068	1.5
86.09707	0.7
88.71011	0.3
91.05470	0.5
98.06053	0.9
98.09689	0.9
100.07612	1.5
101.07165	0.4
107.04957	1.7
108.05282	0.6
110.09692	3.2
112.07590	2.0
112.11262	1.8
113.07163	3.6
114.10285	0.8
119.04959	0.9
121.06489	0.7
123.04416	0.8
126.09148	0.8
127.08708	0.4
129.13916	0.7
130.06619	0.4
133.66722	0.4
135.04358	0.7
142.84546	0.4
143.11906	0.4
145.02890	0.5
148.03954	0.7
149.06001	0.7
151.07448	0.4
155.11800	12.1
163.03862	5.8
164.07114	0.5
172.14429	3.6
176.03439	5.4
177.04240	2.8
178.05002	1.6
190.05032	0.5
190.08582	0.5
191.09317	0.4
192.06577	2.4
193.04863	0.7
198.12402	0.6
218.08087	3.3
219.08899	1.7
220.09723	1.9
231.09023	0.5
231.13446	0.5
232.09627	3.2
249.12462	0.4
256.05881	0.4
256.09747	0.5
268.09360	0.5
270.07611	0.6
270.30630	0.4
271.08322	4.0
280.09836	1.7
282.04309	0.5
282.07663	0.8
284.09171	5.8
292.06229	0.5
296.09079	0.9
297.06345	1.6
298.07297	1.4
298.10794	2.7
308.09222	2.0
309.08954	0.4
310.03799	0.4
310.06982	3.5
312.08713	5.1
314.10321	0.5
319.10925	0.5
323.10266	1.6
324.08615	3.9
326.10199	9.7
334.07333	0.4
335.10229	2.9
336.10983	1.8
337.11984	1.5
351.09732	4.5
351.13474	1.5
352.08145	14.2
352.12436	0.5
354.09500	3.0
367.12985	0.7
377.11432	0.8
378.12390	0.5
379.34662	0.4
381.14404	2.1
383.16071	0.5
398.17123	1.6
409.14050	4.4
411.15741	0.7
428.18433	0.4
449.22052	0.4
479.22986	0.9
480.21198	3.4
497.23956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06258	0.5
54.86726	0.5
58.06612	9.7
61.39239	0.5
61.79997	0.5
61.80308	0.6
70.06589	2.9
71.16061	0.6
72.08158	20.7
84.08152	7.9
85.17561	0.7
93.34707	0.6
102.21117	0.7
112.11225	9.0
113.07114	3.2
144.08049	0.7
155.11797	19.3
172.14368	4.9
177.05339	0.8
232.08266	1.2
242.50340	0.6
255.18800	0.7
256.37997	0.6
284.09186	6.5
309.08810	2.6
310.07108	24.3
310.10696	1.0
324.08774	1.1
351.09766	3.3
352.08109	5.5
367.12927	2.6
397.17505	0.9
408.15585	2.8
409.13867	1.1
422.17252	0.7
423.15643	9.7
440.18176	2.4
479.22763	2.4
480.21555	6.1
497.23953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	8.3
70.06596	3.2
72.08160	17.4
84.08152	7.2
89.10789	0.8
92.17801	0.5
98.09689	0.4
101.07166	0.4
101.10773	0.5
112.11240	8.4
113.07137	3.1
129.13878	1.7
155.11798	18.2
158.58333	0.4
162.05606	0.4
163.03915	0.8
172.14430	5.2
230.09810	0.4
231.07782	0.4
257.05899	0.4
271.58459	0.4
284.09152	4.7
309.08728	2.4
310.07095	25.5
310.10727	0.8
324.08670	1.7
348.71603	0.4
351.09692	3.3
352.08157	5.2
367.12915	2.5
405.14279	0.4
408.15503	3.1
409.14114	1.4
413.58463	0.4
422.17419	0.8
423.15527	7.6
426.16644	0.4
440.17844	2.7
479.22900	2.2
480.21313	7.8
497.23956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53516	0.5
53.94297	0.4
56.05011	0.4
61.02920	0.7
68.05020	0.6
69.03413	2.5
70.02960	10.2
70.06576	2.8
72.08148	0.9
81.03430	1.0
84.04485	0.6
84.08134	1.1
85.02924	7.7
87.04469	0.5
87.05625	0.6
96.04488	3.0
97.02893	2.6
100.03975	1.7
109.02853	0.8
112.92393	0.5
114.05531	12.1
121.53798	0.4
123.05576	0.6
127.03888	1.9
128.06241	0.8
129.06960	0.6
129.10309	0.5
132.74261	0.5
141.06973	0.7
143.08577	4.4
145.06491	0.6
149.09631	0.5
153.06970	5.3
167.04913	0.8
167.07068	0.6
169.06502	2.0
171.08046	23.4
175.07620	0.6
181.06448	3.0
181.07816	0.9
184.05225	0.6
187.07555	7.7
195.08115	1.7
197.05971	2.1
197.09648	2.1
199.07547	69.3
203.10634	0.8
205.08592	0.9
216.07883	2.1
217.08604	11.8
219.36613	0.5
223.07663	1.0
225.09113	1.1
229.08594	6.9
231.10161	60.9
240.10333	0.9
241.08725	0.7
244.09596	0.6
246.11258	2.1
249.11203	20.9
257.11774	1.0
268.09869	1.1
269.08133	0.5
272.09235	2.3
272.12622	0.7
274.10815	2.6
285.09924	0.7
286.10904	1.0
292.11734	1.2
300.12274	7.5
301.10870	0.9
317.15088	1.6
318.13403	19.5
335.16046	2.7
386.19824	0.5
474.91461	0.5
480.18668	100.0
490.92227	0.6
497.21277	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	497.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37317	1.1
53.03949	2.5
55.01879	2.3
55.05524	5.2
57.03436	2.5
61.02925	2.1
67.05513	2.6
69.03442	19.2
69.07074	1.7
70.06594	5.5
71.04988	3.4
72.08151	8.9
73.02921	5.9
79.05489	8.8
81.03434	17.5
81.07068	17.7
83.04977	2.6
84.08139	2.1
85.02915	31.1
87.00819	13.8
91.05479	8.8
93.07050	33.5
95.04970	7.9
95.08613	15.3
97.02885	10.4
97.06545	26.0
99.04457	10.1
105.01878	6.7
105.07027	20.0
105.27052	1.4
107.04958	2.4
107.08601	8.8
109.02886	22.2
109.06532	30.2
109.10135	1.9
111.04490	1.7
111.08108	1.7
119.04932	1.5
119.08591	11.3
121.06517	31.9
121.10194	1.9
123.04462	2.6
123.08065	13.4
125.02305	1.3
125.05990	2.4
127.03944	29.3
129.01826	2.6
129.07005	2.7
131.08565	11.4
133.06474	2.2
133.10136	7.2
135.08090	7.1
135.11758	1.5
137.06015	6.9
139.07542	9.4
143.08566	11.1
145.05014	2.5
145.06508	5.2
145.10175	10.7
147.08014	12.0
147.11659	1.7
149.09630	3.0
151.07518	3.4
155.08511	1.4
155.11754	1.6
156.09259	2.1
157.10106	7.3
158.07249	1.5
159.02916	8.8
159.08095	2.0
159.11691	10.5
161.09610	6.4
161.13248	6.1
163.03929	6.0
165.09134	2.6
167.07077	1.5
169.10089	2.2
171.11702	10.5
173.09673	11.2
173.13228	5.6
174.10210	1.9
175.07600	2.8
175.11211	2.6
177.09184	1.7
185.13232	2.9
187.11200	2.9
189.12755	17.6
191.10818	1.8
201.12692	1.9
203.14250	2.8
213.12773	8.7
218.08215	2.2
231.04958	2.0
231.13799	100.0
245.06409	1.9
249.14865	27.3
289.05246	13.9
291.15979	2.2
310.06958	1.9
405.09305	1.7
420.26337	1.5
443.16409	1.8
479.18918	2.9
494.07449	1.4
497.18958	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73854	5.4
57.64763	6.3
71.87723	7.0
85.02914	5.5
126.75383	6.2
130.35538	6.2
144.08075	8.5
147.36377	6.2
170.09654	13.4
208.12073	6.6
249.14720	12.4
352.24103	7.1
453.20892	16.2
497.19699	100.0
510.32529	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	496.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
58.06608	18.5
59.07393	6.6
60.08171	6.7
60.60631	0.6
67.05500	3.4
70.99400	0.7
75.04485	1.6
79.05498	3.4
81.07059	2.9
85.02914	2.4
87.04470	1.5
91.05465	1.6
92.78564	0.6
93.07021	3.9
95.08585	3.7
97.06542	0.6
105.07050	0.9
107.08569	1.6
108.25987	0.7
113.05976	1.0
121.10154	1.5
131.07037	2.9
131.08536	1.0
144.10196	10.9
160.80376	0.8
162.11292	1.1
191.12370	0.7
236.14919	100.0
257.78702	0.7
273.12546	0.7
389.94583	0.7
478.35440	10.5
496.36319	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	497.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14632	0.6
55.01855	0.8
55.05507	0.8
61.78478	0.6
67.05473	0.7
69.03407	3.5
70.06571	3.2
72.08125	3.7
81.03385	1.2
81.07046	1.0
84.08135	0.9
85.02905	5.0
87.00797	1.5
95.04929	1.1
95.89569	0.7
97.02870	1.2
99.04414	1.0
105.01824	0.9
105.06998	1.0
107.08530	0.8
109.02821	3.0
109.10084	0.9
109.45132	0.7
110.09653	0.7
119.08566	0.8
121.10085	1.3
123.04391	1.2
123.07961	0.8
127.03868	3.3
131.08534	0.7
131.12929	0.7
133.06474	0.7
135.08011	0.9
137.05914	0.9
145.10022	0.8
147.04347	4.1
147.11659	1.2
149.09554	3.8
155.11708	1.3
157.10126	0.8
161.09602	0.8
163.03810	4.0
173.09569	0.9
189.12651	1.2
203.14233	1.7
207.06445	1.1
221.07892	0.9
231.13780	5.8
248.09665	0.8
249.14731	10.3
286.11859	0.9
310.07019	1.0
360.15811	1.0
410.10330	0.9
411.19864	10.6
453.21158	12.5
497.19568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59620	0.4
56.62602	0.3
57.03427	2.3
58.06607	10.5
59.07391	3.3
59.92514	0.3
60.07920	0.3
60.08166	6.0
62.31934	0.3
67.05496	0.7
69.07066	0.4
75.04469	1.6
79.05466	0.4
81.07035	0.7
84.01209	0.4
85.02892	1.5
87.04444	2.1
92.17885	0.4
93.07043	1.3
95.08615	0.6
121.10150	0.5
131.07047	1.6
144.10193	7.4
162.11226	4.1
218.13925	0.6
236.14920	100.0
391.99478	0.4
477.69565	0.4
478.35257	9.7
496.36313	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	496.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07717	0.2
57.07095	0.3
58.06607	0.2
60.08173	3.4
62.16831	0.2
67.09840	0.2
68.15182	0.2
71.07376	0.2
71.08618	0.3
74.89089	0.2
82.35735	0.2
84.07376	0.2
84.70537	0.2
85.10184	0.3
86.09716	20.1
95.08627	0.3
98.98477	0.3
104.10757	2.3
111.04959	0.2
125.00014	11.1
143.70094	0.2
171.19177	0.2
184.07358	100.0
232.01149	0.2
478.32986	1.2
496.34030	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	496.3403
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
57.07065	1.4
58.05014	0.6
60.07923	0.5
60.08176	10.9
63.98633	0.5
71.07357	1.4
71.08614	0.6
71.68506	0.5
86.09709	33.3
104.10751	82.7
109.10208	0.6
124.99991	16.5
128.70030	0.5
163.01581	0.9
166.19257	0.6
175.31564	0.6
184.07346	100.0
214.68683	0.6
226.20416	0.6
313.27414	1.0
323.17947	0.6
391.36081	0.6
478.32974	7.7
492.61743	0.6
494.33591	0.6
496.33984	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39638	1.1
55.01869	2.2
55.05504	2.7
56.86017	1.4
57.07064	1.7
58.70269	1.3
59.58915	1.2
62.06107	1.2
67.05499	6.4
69.03419	8.4
69.07084	11.1
70.06573	6.3
71.04991	18.6
72.08144	7.3
81.03413	3.4
81.07053	13.8
83.08634	3.1
84.08157	1.7
85.02912	22.0
85.06539	5.9
86.73212	1.5
87.00832	3.4
87.07922	1.4
91.05471	1.6
93.07042	8.7
95.08602	23.3
97.02885	6.7
97.06503	1.5
97.10179	2.9
99.04438	2.7
99.08072	2.2
105.01853	7.4
107.08597	16.4
108.05261	1.8
109.02886	7.3
109.10151	58.6
109.49868	1.7
114.10337	2.4
119.08571	2.5
120.08047	1.9
121.10136	29.0
122.05949	1.4
123.04417	3.0
123.11706	10.4
125.09581	2.3
125.13261	2.2
127.03893	16.3
127.11186	7.0
135.11729	13.1
137.13260	7.1
143.56837	1.7
145.04994	5.1
147.04430	6.6
147.11691	1.9
149.13286	3.1
153.12737	8.8
163.03920	8.7
169.85245	1.6
177.16393	33.3
195.17432	42.3
213.15237	2.8
213.18488	100.0
221.08122	2.6
231.15852	2.1
231.19505	13.6
252.15608	5.7
293.16141	2.9
294.16855	3.5
382.21945	1.9
407.20566	2.3
408.10760	2.7
421.17468	1.8
425.21545	2.3
452.18478	2.1
461.24039	5.4
496.21664	10.7
496.28500	31.9
496.68726	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	496.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.6
55.53513	0.4
57.03450	0.7
57.07079	0.7
59.89715	0.4
61.02924	0.7
63.01785	0.4
67.05515	12.0
69.03447	5.0
69.07079	5.4
69.67397	0.4
70.06597	0.5
71.04993	1.2
72.08150	1.0
79.05505	7.0
81.03436	0.6
81.07064	18.1
83.04953	1.9
83.08633	6.6
85.02912	8.1
85.06548	3.2
87.04482	10.5
89.60837	0.5
91.05486	0.7
93.07054	19.9
95.08622	8.1
95.45944	0.6
97.02919	3.8
97.06532	3.3
97.10188	0.9
99.04468	0.8
101.06025	3.2
107.08617	18.9
109.02840	0.7
109.06525	0.7
109.10171	5.2
111.08104	2.6
113.05999	0.8
115.03931	5.5
121.10155	11.0
123.11718	21.9
127.03965	0.8
127.07590	0.8
129.05530	1.1
133.10077	1.2
135.08032	1.0
135.11732	2.6
137.49098	0.5
143.07095	1.2
149.13272	100.0
149.99530	0.6
159.11736	3.6
167.14317	53.1
177.12738	8.4
185.15363	2.6
195.13812	11.4
208.50052	0.6
213.14877	23.7
222.11411	0.7
255.42525	0.5
283.80869	0.5
304.74271	0.6
317.16037	2.4
496.24551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.332
Annotation	24-epi-Makisterone A
Peak:m/z	Relative Intensity
50.34878	0.5
52.45552	0.5
59.94713	0.5
60.69035	0.6
62.49353	0.6
67.05506	2.2
69.30827	0.5
73.52529	0.5
79.05490	0.7
81.07056	3.6
93.07067	0.8
95.08598	3.6
102.50610	0.6
103.31798	0.6
107.08684	0.8
109.10110	0.9
117.03424	4.4
121.10162	1.3
135.11679	1.3
145.02843	33.4
149.06001	2.6
162.99239	0.6
177.05470	100.0
264.81677	0.6
268.44290	0.6
283.26306	4.6
405.05087	0.6
459.30957	2.5
495.30020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55381	0.5
56.04897	0.5
56.63494	0.5
58.29336	0.5
85.02920	4.9
86.91544	0.6
90.79508	0.6
97.02894	1.0
105.07025	1.3
107.04966	23.3
118.83916	0.5
131.04886	0.9
133.06494	31.3
137.05980	4.0
140.56329	0.6
145.06487	100.0
147.04410	0.6
149.05981	7.2
159.08165	0.8
161.05977	11.0
162.06824	0.8
170.94930	0.6
173.06143	0.6
175.07538	4.1
178.64073	0.7
179.07031	17.5
187.07558	16.9
203.07034	3.6
205.08623	29.2
221.07964	0.7
233.08142	0.7
235.11093	1.0
239.10632	10.8
281.11740	27.8
285.11108	4.7
299.12817	12.8
327.12427	4.0
345.13416	3.0
357.13306	0.9
496.18478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3109
Annotation	Norselic acid E
Peak:m/z	Relative Intensity
55.05519	1.5
55.74131	1.4
57.18222	1.4
67.05490	7.8
69.07040	2.4
79.05489	2.2
81.07047	3.4
92.18475	2.2
93.07018	9.0
95.04954	3.8
95.08612	35.8
96.53809	1.6
97.10166	1.4
101.96423	1.6
105.07000	3.7
107.08585	23.2
109.10126	9.0
111.08100	1.7
119.06100	2.0
119.08601	13.5
121.10152	16.6
123.08050	3.4
131.08519	1.9
133.10144	2.2
135.11684	6.0
143.08559	1.9
145.10060	3.4
147.08031	2.2
147.11581	2.1
155.08536	1.5
157.10059	6.3
159.11659	2.5
161.13231	1.8
169.10083	2.4
170.74168	1.5
171.07944	2.1
171.11627	3.4
173.09583	2.4
173.13225	2.3
183.08034	2.9
195.11700	2.0
199.11127	10.3
199.14729	1.8
201.09041	3.1
207.11661	3.4
209.09622	2.8
209.13162	2.6
211.11226	3.4
213.12733	1.8
215.14452	1.8
221.13211	6.7
223.11180	2.2
223.14638	2.0
224.11816	2.4
225.12697	3.7
227.10590	2.0
235.14691	3.2
237.12715	6.1
237.16240	2.0
249.16304	2.3
251.17859	1.8
253.12207	2.0
253.15884	2.3
255.13770	2.8
261.16391	2.3
263.14273	3.1
265.15784	2.0
267.13733	2.2
269.15335	1.8
275.41339	1.7
277.15970	2.8
277.19507	3.7
279.17572	2.5
281.15259	1.6
287.17972	1.7
287.66605	1.7
289.15744	2.6
291.17380	3.5
293.18985	2.4
294.19724	2.3
304.18048	2.2
305.18967	2.5
307.17014	2.3
322.19049	1.6
323.19907	3.0
331.20688	2.0
339.19553	2.3
389.28702	1.9
399.27029	2.4
417.27853	12.5
427.25995	2.5
431.29437	2.0
435.28851	7.8
437.14404	1.8
445.27319	14.8
449.16681	1.7
449.30530	6.8
459.28711	6.3
463.28339	14.6
467.31671	2.2
477.29959	29.5
495.30869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.5
57.07087	5.5
67.05501	14.3
69.03439	3.2
69.07075	36.3
71.05000	49.8
71.08640	4.5
72.08154	5.0
79.05469	2.5
81.03403	4.5
81.07059	44.4
83.04089	2.8
83.08636	23.7
83.09072	2.8
85.02906	21.4
85.06552	32.9
85.10180	3.7
87.00836	4.0
92.18442	3.2
93.07027	3.7
94.67104	2.1
95.08615	45.3
97.02887	5.4
97.10181	24.1
99.04423	2.9
99.08087	5.4
105.01873	4.6
105.07018	3.7
109.02896	9.3
109.10171	46.3
111.11726	21.3
114.09197	2.8
119.08617	4.2
123.11714	34.3
127.03928	15.1
137.13298	22.7
145.04927	3.4
147.11729	3.1
151.14882	3.6
159.02945	3.1
159.11708	2.8
165.09071	3.0
165.16371	2.8
193.19530	12.0
199.14748	2.3
211.20583	100.0
229.21645	47.6
247.22655	26.0
277.09567	2.7
315.11246	4.6
495.22116	10.8
495.32904	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	495.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80526	0.6
55.05510	0.8
63.33393	0.6
70.06573	1.1
72.08154	6.2
85.02915	3.3
89.15245	0.7
97.02901	0.9
98.06052	1.1
120.14503	0.9
147.04390	0.9
152.07060	8.2
163.03880	3.9
164.07059	0.7
176.07066	55.3
177.07852	4.4
186.09122	6.4
190.08615	1.2
202.08623	10.3
203.09422	76.5
233.12831	2.8
234.13628	72.7
333.18076	36.4
333.22064	1.3
396.18900	1.4
482.95621	0.7
495.23462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2595
Annotation	Tricalysioside B
Peak:m/z	Relative Intensity
55.05526	0.6
67.60912	0.5
69.03446	1.0
71.46841	0.5
72.08131	0.5
77.08444	0.5
81.07053	1.0
82.22029	0.5
83.08627	0.8
85.02898	4.2
93.07056	0.5
95.08576	1.8
97.02902	0.9
97.54795	0.5
98.04294	0.6
99.04461	0.9
99.39196	0.5
109.10142	0.6
109.19101	0.6
121.02895	4.2
121.10139	14.3
136.07614	0.6
139.11174	0.9
147.04422	3.1
153.05431	0.8
159.08148	0.6
163.07544	1.1
165.09000	0.9
177.05435	0.8
177.09059	0.6
179.07031	59.4
179.10565	2.4
187.07527	1.0
195.10185	2.8
219.10196	2.6
229.12224	4.1
234.88397	0.6
237.12794	0.9
255.13742	1.1
291.15942	4.8
297.18225	0.6
315.19351	0.7
333.20599	100.0
403.11493	0.8
405.09772	0.6
417.13132	0.8
449.12280	2.4
471.17432	0.8
495.16470	23.8
495.25873	25.7
518.89594	0.6
523.60583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	1.0
61.86370	0.7
70.06576	1.4
72.08144	3.3
75.07220	0.7
75.66409	0.8
79.25019	0.7
81.38816	0.8
84.08106	0.8
87.10751	0.8
87.96363	0.8
94.10142	0.7
126.04598	0.8
147.04401	0.8
151.03889	3.5
152.04280	1.4
160.07574	37.0
170.09576	5.8
186.09143	100.0
187.09938	34.7
189.63834	0.9
217.13336	5.0
218.14166	19.3
284.35739	0.8
287.90851	1.0
450.88080	1.0
495.23309	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
55.58091	0.6
59.98644	0.5
69.03420	0.6
69.10339	0.7
70.06570	3.8
72.08147	4.4
73.40701	0.7
73.63176	0.6
73.72568	0.7
85.02907	0.9
86.09702	1.2
91.13593	0.6
98.06040	1.1
141.05484	2.5
151.03899	23.0
152.04254	11.9
152.07027	1.1
156.07747	0.8
163.03870	1.0
170.09702	1.3
173.08432	1.0
176.07068	66.5
177.07866	4.9
183.06540	2.6
186.09122	9.9
187.09996	0.9
190.08612	1.7
203.09419	93.4
233.12897	3.0
234.13635	68.4
258.72699	0.9
297.22852	1.7
333.18063	17.2
348.11652	3.6
361.67200	0.7
431.17630	0.9
463.20834	9.0
495.23352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1973
Annotation	Hydramethylnon
Peak:m/z	Relative Intensity
55.05498	1.3
62.78841	1.0
65.03941	1.6
67.05489	1.3
70.06596	11.1
72.08162	55.8
75.22707	1.0
83.04993	8.9
84.08167	8.8
89.10782	1.6
93.03392	4.5
98.06044	2.2
98.09688	4.9
107.04928	1.8
111.04451	16.1
116.82690	1.1
120.08075	1.8
121.02835	13.7
123.04401	1.2
132.08109	2.4
135.04440	18.1
137.06004	1.3
139.03917	2.0
149.05931	1.3
151.03946	4.4
152.06984	1.6
153.05557	2.0
163.03938	15.9
164.07040	2.9
164.10756	1.2
177.10300	1.3
188.07060	2.9
189.07417	1.5
191.03389	2.6
201.60628	1.2
205.09711	1.7
206.11752	26.0
220.01997	1.2
223.14439	4.4
227.03145	1.3
234.09052	2.0
234.11234	21.7
251.13907	6.0
252.12337	10.1
269.15060	5.0
280.11557	1.6
297.15030	1.6
437.53992	1.4
495.19690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76929	0.7
53.40554	0.6
57.07062	1.2
58.06615	0.8
60.35529	0.7
70.06588	13.0
70.74060	0.6
70.94942	0.7
71.08614	0.8
72.08149	1.7
75.18449	0.6
84.08144	4.9
86.09702	7.0
88.07648	1.0
89.06034	8.1
104.82005	0.7
114.09151	8.5
176.12816	6.0
176.70453	0.8
184.07349	10.4
190.14409	4.7
212.23708	2.9
220.15613	2.4
222.11121	0.8
234.17140	2.9
237.41002	0.7
238.25314	4.6
240.26909	1.5
256.26385	2.6
284.26694	0.7
344.27356	1.3
344.31567	48.9
388.34186	29.5
494.40469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08175	2.1
60.53620	1.3
78.34477	1.1
86.09716	20.4
125.00016	9.7
130.06534	2.6
134.72496	1.3
184.07349	100.0
344.31653	7.8
388.34363	5.9
448.26859	1.4
476.25980	2.9
494.32416	14.3
494.40524	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	494.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58135	0.7
55.42704	0.7
57.07079	1.4
58.04249	0.7
58.06599	1.3
60.08179	12.8
62.85268	0.7
63.45088	0.8
69.07072	1.4
70.06593	6.3
71.07388	1.2
81.07086	1.2
83.08615	1.0
84.08148	3.6
86.09713	42.2
88.07638	1.0
89.06038	4.8
95.08621	1.0
104.10754	82.0
114.09155	5.6
125.00005	13.8
132.10225	1.4
146.11765	1.3
176.12901	1.6
184.07353	100.0
190.14397	1.4
212.23796	4.0
220.15273	1.1
230.04788	0.9
236.14911	6.2
238.25313	3.9
240.26781	1.5
256.26389	1.5
293.22311	0.8
300.17691	0.8
300.28906	11.2
311.25876	1.5
328.25995	0.8
344.31598	28.9
355.22528	0.9
363.25735	0.9
388.34192	15.6
432.36829	1.3
476.31677	5.1
494.32507	59.0
494.40533	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
59.42081	1.2
60.08174	10.5
68.85508	1.3
69.07052	1.5
70.06600	2.4
71.07348	1.8
83.26028	1.3
86.09203	2.4
86.09708	41.5
95.08631	1.6
96.39330	1.2
104.10752	84.6
124.99996	18.8
134.76180	1.3
139.56436	1.4
146.11725	1.4
163.01578	1.6
176.12979	1.7
184.07343	100.0
197.96686	1.3
206.80040	1.2
212.23769	2.3
236.14951	7.3
259.37363	1.2
300.28928	11.1
344.31631	14.3
388.34155	8.2
432.82016	1.5
476.31250	7.6
494.32419	69.9
494.40466	36.1
506.93381	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.3
60.08168	4.5
61.75571	0.2
71.07372	0.6
76.68927	0.2
79.21298	0.2
80.28573	0.2
85.49593	0.2
86.09708	19.4
98.98467	0.5
104.10748	2.0
124.99997	11.0
158.47798	0.3
163.14845	0.3
184.07336	100.0
281.76974	0.2
476.31650	1.5
494.32367	13.8
494.39679	0.5
502.93970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
57.07064	1.0
60.08173	9.8
65.83312	0.7
69.07068	1.0
70.06591	4.1
71.07371	3.0
72.08135	0.8
73.62929	0.7
83.08621	1.0
84.08131	1.0
86.09708	37.9
89.06030	1.1
104.10746	82.7
114.09154	1.4
121.10210	0.8
122.53752	0.8
125.00004	17.1
146.11742	0.8
163.01556	1.1
173.72386	0.7
176.12764	1.1
184.07343	100.0
190.14426	0.9
212.23735	1.3
220.34856	0.7
227.90529	0.8
238.25322	1.9
279.34058	0.8
292.34961	0.8
300.28891	6.9
311.25659	1.2
344.31580	12.3
388.34262	11.0
432.37039	1.1
476.31351	7.1
494.32382	66.0
494.40482	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	494.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38962	0.2
53.21413	0.2
58.06587	1.2
65.83835	0.2
67.43498	0.2
69.07076	3.9
70.06593	0.5
71.07359	1.0
72.08149	1.1
81.74408	0.2
84.08146	1.4
86.09710	4.0
87.78305	0.2
92.03840	0.2
95.04973	1.3
95.08559	0.2
100.11258	100.0
112.07585	0.3
120.08130	0.5
125.09602	0.4
129.10223	1.1
132.10231	1.2
141.10234	0.5
163.03889	1.0
172.05865	0.3
191.76898	0.2
195.11363	1.1
225.16118	0.3
226.14363	1.3
232.13388	0.4
237.05414	3.2
237.16028	0.3
271.16641	0.4
332.27875	0.3
335.23227	0.2
345.21817	1.4
349.21460	0.5
350.24475	0.4
363.22769	3.1
368.25607	1.0
370.26971	11.1
476.31299	1.5
494.15726	0.4
494.32263	10.7
494.71866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2766
Annotation	Olividine
Peak:m/z	Relative Intensity
51.72803	0.2
52.10592	0.2
58.06596	0.2
63.50946	0.2
70.06602	2.9
71.04973	0.3
72.08164	5.4
81.03387	0.3
81.07054	0.4
84.08150	2.1
85.02897	0.6
93.07044	1.1
95.08594	0.4
97.02933	0.3
105.01868	0.3
107.08612	0.4
109.10170	1.5
110.09690	0.9
112.11234	2.9
119.08611	0.3
120.76923	0.2
121.10146	0.4
125.09637	0.4
127.03972	0.3
133.10086	0.3
135.11655	0.4
149.13234	0.5
163.03947	0.5
167.14293	1.2
186.97243	0.3
193.15855	0.5
195.17480	1.2
211.16946	0.9
229.17747	0.4
261.39734	0.2
267.11343	1.5
277.51715	0.3
279.11203	0.4
281.12839	2.0
285.90976	0.2
293.09351	0.3
296.11484	0.5
304.14511	0.5
306.12418	1.7
307.10870	2.6
309.12369	10.7
309.15707	0.5
319.10822	1.1
323.13925	1.3
324.13364	2.6
326.15140	1.1
333.14761	5.7
334.15262	0.4
334.68585	0.3
336.13626	0.9
348.13571	1.9
348.17285	0.4
349.11853	2.3
364.16608	2.3
366.14307	2.7
366.18253	1.0
376.16656	4.2
378.14301	0.5
378.18280	4.5
380.19650	2.4
383.20694	1.4
393.19348	1.8
394.19952	1.7
397.22440	2.0
405.19110	2.7
406.17706	8.3
407.21030	0.4
419.20840	2.3
420.19281	2.4
423.20331	2.5
425.21933	0.3
436.23749	0.4
437.21820	2.3
441.20300	0.3
448.23105	0.4
449.21524	0.6
451.16708	0.3
462.24982	1.4
466.24426	0.3
476.26569	1.5
477.24979	9.5
494.27667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01893	0.5
55.05526	0.8
63.15475	0.5
67.05505	0.8
69.03437	0.7
69.07075	6.7
71.04987	6.1
77.03918	1.0
79.05511	4.4
81.07071	15.7
83.04970	4.3
85.02893	3.3
87.00832	0.6
91.05476	10.3
93.07047	98.1
95.04984	6.7
95.08551	0.7
97.06532	30.0
99.04427	0.9
101.05997	2.1
105.01884	1.3
105.04525	1.0
105.07038	20.4
107.04971	1.0
107.08596	2.5
109.02850	0.7
113.05991	4.1
113.90113	0.5
119.08566	4.8
125.05995	38.5
127.03915	2.5
130.13797	0.7
131.08598	1.4
133.10136	59.7
137.05988	1.1
143.07039	100.0
144.08105	3.7
145.04980	1.1
145.08432	0.9
145.56821	0.6
147.11685	22.4
151.11217	3.2
157.10149	5.0
163.03934	0.7
163.14864	0.7
164.93204	0.6
170.09648	10.7
171.10025	7.4
172.10725	1.2
175.11176	9.0
175.14885	0.7
189.04253	0.6
193.12248	61.7
202.14702	2.3
202.31392	0.5
203.14984	1.4
211.13264	13.2
211.16988	2.8
254.72845	0.6
280.23349	0.5
284.09866	1.2
324.22412	0.6
377.90448	0.6
405.89224	0.6
494.26147	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	494.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74680	0.2
55.01888	0.3
60.60892	0.2
60.70741	0.2
61.02929	0.4
65.08617	0.2
66.62247	0.2
68.45529	0.2
69.03429	0.5
85.02907	4.8
92.17854	0.4
93.07039	0.6
97.02878	1.2
107.04957	8.6
108.58124	0.3
123.04436	1.3
127.03908	1.2
131.04918	3.5
131.56931	0.2
133.10143	0.5
134.23088	0.3
143.07054	0.6
145.04958	0.5
145.06474	1.4
161.05940	1.5
173.06001	4.7
191.07086	1.1
193.12178	0.5
206.67880	0.2
207.08055	2.0
207.88943	0.3
221.09570	0.6
225.09102	100.0
237.09052	1.0
239.10635	2.4
249.09126	2.8
251.10713	0.3
267.10165	24.6
279.10309	0.3
285.11215	48.2
297.11197	4.3
315.12289	0.6
333.11295	0.4
393.13034	0.3
399.98987	0.3
494.20218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77845	0.6
51.08937	0.6
53.03946	0.8
57.03424	1.0
60.21226	0.6
61.02932	3.3
69.03436	9.7
71.05003	1.0
73.02904	1.3
81.03405	4.0
85.02419	1.3
85.02909	28.8
87.04456	3.3
91.03923	1.0
92.78564	0.7
96.08125	1.3
97.02908	11.1
99.04462	1.7
106.06561	13.8
107.21125	0.7
108.08127	52.9
109.02901	4.2
123.06772	2.8
124.07605	10.1
127.03926	8.1
134.06015	13.0
136.07590	23.6
145.04944	1.7
152.07069	95.2
154.08621	1.1
170.08116	22.5
236.15007	1.0
254.10257	0.9
296.11465	0.9
314.12311	16.1
332.13397	12.8
476.17557	4.9
494.18686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15391	0.3
62.55796	0.3
62.79729	0.3
63.69993	0.2
65.86691	0.2
70.48145	0.3
85.02922	0.5
91.05495	0.7
93.07047	1.9
97.02904	0.3
103.05479	0.5
104.41724	0.3
105.07056	1.2
107.04977	0.6
121.06505	7.0
122.02763	0.4
126.05505	0.4
133.06490	3.1
138.05531	2.1
148.06047	1.3
149.05986	29.5
152.07018	0.4
161.04727	0.6
161.05989	13.0
163.07523	0.6
166.06226	2.1
167.07034	76.7
181.08592	60.0
183.34399	0.3
193.06923	0.3
193.08595	8.5
195.10138	1.2
211.09651	100.0
284.07941	2.2
314.10532	0.6
329.13278	0.4
332.11578	1.9
389.33975	0.3
494.16547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06077	0.2
56.05043	2.4
56.05279	0.3
64.45847	0.3
67.25627	0.3
69.03427	0.6
70.06565	0.3
72.08150	0.3
74.00647	0.5
81.03403	0.6
85.02913	5.2
86.00629	0.3
88.02250	0.3
88.04008	0.4
97.02865	1.1
100.02210	2.6
105.07030	4.4
107.04919	0.4
109.02908	0.4
109.06477	0.4
112.58885	0.3
114.03757	1.3
115.05400	0.3
119.81683	0.3
120.01174	1.4
127.03918	0.5
129.29263	0.3
131.04961	0.7
132.05675	0.5
133.06503	9.3
137.05959	1.2
141.13986	0.3
143.06004	0.4
143.70229	0.3
146.02707	7.4
147.04373	0.4
149.06033	0.4
151.07446	0.3
160.04272	5.0
161.05975	27.1
165.03711	4.8
167.07033	100.0
169.08562	2.2
179.06989	0.5
181.08604	1.2
181.50877	0.3
192.07808	3.1
193.03189	8.2
193.08606	21.3
202.10863	0.3
210.03580	0.3
211.09656	7.7
219.04683	0.5
225.05785	7.0
243.06827	1.8
251.07310	0.4
268.09970	1.1
275.04074	0.4
314.10562	15.0
315.09052	1.8
332.11615	57.5
382.75290	0.3
444.18796	0.3
476.14911	0.4
494.16238	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	494.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39276	0.1
56.56943	0.2
65.03940	0.2
67.05509	0.3
69.94629	0.2
70.06583	0.4
72.08159	0.9
84.04499	0.3
84.05634	0.3
88.51562	0.2
95.04979	0.2
108.02084	0.2
119.04936	0.3
119.98248	0.2
127.02226	0.2
130.05020	0.3
131.93201	0.2
137.05986	1.2
139.83856	0.2
141.05475	1.3
147.04446	0.9
149.06004	0.4
151.03920	100.0
151.04958	4.3
159.17538	0.2
161.05940	0.4
162.06721	0.3
179.07079	0.4
195.67314	0.2
226.15643	0.2
231.73657	0.2
265.77188	0.2
297.22931	0.9
299.09210	2.5
311.09335	0.9
329.10199	4.1
347.11298	14.0
494.21225	0.2
502.45697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88538	0.9
54.72564	1.1
67.41558	1.0
72.08164	2.8
79.93530	1.3
80.66993	1.1
84.08123	1.6
85.02903	1.9
105.07042	2.8
107.04961	7.5
119.04962	1.6
121.02901	2.0
133.06505	5.2
137.05997	8.2
144.08118	1.5
147.04446	10.8
151.03931	1.1
161.05968	17.6
162.06807	2.0
163.03906	1.7
167.03392	1.4
170.09641	5.9
171.10060	6.9
175.03900	7.6
177.05405	1.3
193.08607	11.2
195.02921	2.0
202.14763	1.1
241.08707	5.7
251.06847	1.4
269.08087	97.5
272.09222	1.7
279.06598	4.7
295.06088	1.8
297.07593	100.0
315.08624	72.2
319.86877	1.3
323.09174	1.9
343.05057	1.2
355.11804	4.4
446.42599	1.3
477.14221	4.5
494.16327	5.7
494.25620	10.1
498.40421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54973	0.8
63.86856	0.7
69.03446	1.3
70.06589	0.9
71.55005	0.8
72.08165	1.5
79.05434	0.9
85.02896	5.5
85.24907	0.7
91.05462	1.0
97.02888	0.9
103.05453	0.8
105.07031	20.5
107.04977	3.3
115.05456	3.2
119.04942	1.5
121.02861	0.8
127.03929	0.8
133.06496	35.0
137.05983	6.7
143.06059	3.7
144.08110	6.6
145.08449	4.3
147.04398	5.8
161.05971	100.0
162.06767	3.9
163.03899	1.4
170.09654	21.4
171.10071	19.0
172.10742	5.4
175.03886	1.7
180.08658	1.7
193.08606	69.2
201.13794	1.2
202.14635	4.0
203.14977	3.8
251.07014	1.1
267.06424	3.5
269.08075	37.3
272.09225	2.0
279.06326	1.1
295.05881	8.7
297.07574	33.4
315.08597	24.4
315.11896	1.4
323.09097	1.1
332.11218	1.9
343.04947	3.6
357.02866	0.9
387.03897	1.0
477.13724	1.3
494.16498	4.8
494.25690	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	493.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.7
57.03446	3.2
57.07088	53.9
61.60079	1.4
67.05524	10.1
69.07056	7.7
71.08231	1.4
71.08640	41.7
75.04494	1.3
79.97101	1.3
81.07066	16.7
83.08628	13.3
85.10186	32.8
95.08613	34.6
97.10185	8.7
109.10185	14.0
113.78127	1.4
123.11729	6.4
137.13210	1.8
177.05515	2.6
177.78729	1.4
202.23671	1.6
239.23694	18.2
244.48488	1.6
257.24649	2.4
313.27374	100.0
331.28387	24.7
475.33020	5.6
493.31927	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	494.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51886	2.0
55.07622	2.3
59.62103	2.5
60.21754	2.4
63.80934	2.4
70.06583	5.5
72.08164	6.3
73.96598	2.4
81.49392	2.4
91.05471	10.1
93.07038	2.4
103.05466	6.2
103.98853	2.2
105.07030	4.5
111.43551	2.8
111.50503	2.9
119.04925	28.0
123.04404	3.5
130.04140	5.1
131.04913	3.2
133.06491	14.1
137.05981	100.0
141.55940	2.9
144.08138	6.1
145.08493	4.8
145.94398	2.5
147.04404	31.4
149.05988	16.4
150.06779	14.6
151.03905	14.3
151.07542	16.8
151.71858	2.9
161.05971	29.1
162.06772	58.0
167.07016	2.6
170.09636	19.1
171.10126	6.0
173.05966	6.3
177.05472	3.9
179.07002	13.6
193.03227	4.8
193.04930	10.3
201.05461	6.3
204.04056	3.6
219.06493	28.3
231.06383	2.7
233.06049	3.8
249.07605	10.9
265.08649	3.9
277.08942	3.4
283.09683	3.3
307.09674	3.2
310.08337	2.9
322.99585	3.1
323.09134	26.5
325.10617	3.7
337.10800	3.7
343.11728	30.3
355.11768	29.0
373.12796	5.4
456.07254	2.8
494.15665	5.7
494.26282	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	493.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
57.91309	0.2
58.06601	2.0
59.01229	0.2
59.07373	0.5
60.08176	1.7
63.53732	0.1
73.12979	0.2
75.04488	0.4
84.05629	2.1
85.02893	0.8
87.04464	0.8
87.86977	0.2
90.29750	0.2
99.15543	0.2
131.07007	1.0
144.10164	0.3
150.97636	0.2
171.06346	0.2
222.12361	0.3
236.14926	100.0
240.13431	4.3
258.14651	2.5
302.75394	0.2
435.96884	0.2
442.22330	0.2
493.29056	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	493.314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60486	0.5
70.51323	0.5
111.04172	0.7
127.03713	1.1
155.06790	1.1
156.07751	0.5
169.53369	0.6
171.06253	0.8
243.12054	0.7
336.99188	0.5
493.31369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09980	0.5
52.08199	0.5
57.03442	9.0
58.86436	0.5
61.02929	1.5
61.79346	0.6
67.05520	1.0
91.56692	0.6
93.41805	0.7
104.24335	0.6
104.79633	0.6
113.01685	0.7
117.03373	1.5
117.05502	23.6
119.08482	0.8
131.42560	0.6
135.08061	4.8
141.49516	0.7
145.02858	29.0
149.06013	0.8
177.05469	100.0
185.45631	0.7
202.60052	0.7
291.41632	0.7
358.96600	0.7
377.23184	2.8
419.00720	0.7
475.27048	5.4
506.84567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2586
Annotation	Roxburghine B
Peak:m/z	Relative Intensity
51.81722	0.3
54.15178	0.2
54.53979	0.3
60.17190	0.3
73.58730	0.3
82.73716	0.3
86.09721	0.6
92.17722	0.5
95.04976	1.7
107.04968	17.1
133.06494	0.4
135.08064	100.0
145.02840	0.3
145.06483	0.6
145.10129	0.4
147.08046	1.4
161.09659	2.1
173.09602	5.9
177.05493	1.4
184.07414	1.4
191.10710	1.8
209.11725	11.3
312.73569	0.4
325.18097	4.3
493.25827	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	493.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58432	1.0
53.54287	0.9
57.03434	8.0
57.23294	1.0
61.02891	1.2
66.93295	1.2
71.20468	1.1
117.05505	18.8
118.34355	1.1
145.02878	26.7
163.49519	1.1
177.05466	100.0
207.64348	1.1
255.02652	1.3
390.13110	1.3
475.26627	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	493.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90243	0.2
58.06603	0.7
65.93390	0.2
66.45224	0.3
67.44112	0.3
70.97141	0.2
71.01275	0.2
72.08140	0.3
72.11918	0.3
144.08090	28.1
145.08870	1.6
146.06891	0.3
153.37616	0.3
158.09666	0.5
159.10428	0.4
170.09647	100.0
171.10420	25.9
187.12358	0.5
201.13861	5.5
202.14656	18.8
346.97641	0.3
359.44705	0.4
493.25473	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	493.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06584	0.8
59.71163	0.2
63.02828	0.1
95.55807	0.2
144.08093	26.7
145.08841	1.3
152.92616	0.2
158.09590	1.3
168.08038	0.4
170.09647	100.0
171.10423	23.9
187.12305	1.0
192.14636	0.2
195.10504	0.4
201.13882	4.2
202.14651	17.5
208.11243	0.3
210.12778	2.2
228.13828	0.7
476.19128	0.3
487.87411	0.2
493.25534	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70028	0.2
54.18419	0.2
54.22252	0.2
58.06578	1.1
60.06937	0.2
70.06560	1.7
72.08141	2.0
84.04444	0.3
85.02890	0.4
97.66231	0.2
98.06072	0.4
107.30901	0.3
108.83666	0.3
114.10269	0.5
144.08089	27.1
145.02866	0.4
145.08856	1.1
158.09637	1.1
163.03860	2.4
170.09644	100.0
171.10420	29.7
172.11214	0.3
186.09190	0.6
187.12283	0.4
201.13890	4.0
202.14651	25.2
220.09744	0.3
487.21530	0.3
493.25516	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08165	5.1
81.07061	0.6
87.00840	0.8
89.03926	0.7
89.10783	1.2
90.51261	0.5
98.55528	0.5
115.08668	0.7
117.03397	0.6
130.06535	33.2
135.04419	2.2
143.07364	1.0
145.02855	4.4
156.08105	4.0
157.07607	14.4
158.04712	0.8
158.06027	22.8
158.08372	8.7
159.06877	1.8
159.09224	0.6
163.03903	100.0
169.10153	0.5
171.09184	2.3
173.02339	21.3
175.03897	0.8
177.05476	7.5
183.05521	4.3
184.06343	0.8
185.07095	2.5
189.76498	0.5
191.03416	0.6
197.07112	4.0
199.08681	15.4
200.09448	51.0
201.10236	1.9
202.04895	0.6
225.06534	1.0
234.11223	4.2
240.25633	0.5
243.07684	5.2
244.06139	2.1
244.08432	25.0
249.12350	3.8
251.13863	11.2
265.15524	2.0
270.04010	1.0
274.08472	3.8
288.05069	2.4
293.15329	0.7
302.08109	24.6
319.10712	0.7
348.45163	0.5
361.11853	5.0
390.18118	1.1
405.10742	2.1
432.19290	0.8
449.21848	32.3
493.20786	20.8
493.27368	1.4
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
55.05520	1.2
56.06335	1.2
57.05071	1.4
60.08165	9.2
66.61497	1.2
66.91657	1.3
69.65582	1.3
71.07382	1.5
81.07044	1.8
81.60846	1.3
86.09711	35.8
95.08597	1.5
103.97795	1.5
104.10751	82.1
116.82793	1.4
124.99989	14.9
130.00774	1.9
131.60121	1.4
178.14493	1.3
184.07341	100.0
329.41330	1.5
460.83771	1.4
474.29828	5.8
492.23901	2.5
492.30853	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37176	2.1
60.08175	4.3
86.09705	22.3
114.50086	2.6
119.08562	4.1
124.99998	10.7
178.20433	2.9
184.07343	100.0
184.08911	4.5
378.97610	2.6
492.30557	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	493.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32066	0.2
58.05558	0.2
65.27911	0.2
66.93948	0.2
66.95805	0.2
67.03627	0.2
82.70825	0.2
83.06110	4.6
84.04500	1.2
84.08132	0.9
101.07143	1.1
108.02117	0.3
114.09172	0.5
119.04931	0.4
129.06612	15.7
137.06029	0.4
141.05467	1.3
143.11807	0.5
147.04434	1.2
151.03914	100.0
151.04965	4.8
179.06989	0.4
211.07581	0.3
283.09769	0.9
283.24579	0.3
297.10730	0.3
299.09097	5.4
311.09125	2.1
329.10223	10.8
347.11337	6.2
396.49255	0.3
445.16202	1.7
475.17496	0.4
493.18799	0.5
493.27612	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	492.2726
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
55.05519	8.4
67.05495	39.7
69.07041	9.1
79.05489	11.4
80.05023	10.8
81.07056	33.3
84.08182	6.6
91.05434	8.5
93.07038	34.5
94.23236	5.8
107.08609	8.5
111.08098	8.4
117.75430	6.5
120.45387	7.4
126.12813	55.3
129.72575	6.4
131.08510	7.0
133.10141	9.0
144.13832	13.6
149.13266	9.2
168.82446	5.9
171.53813	6.7
220.16969	42.8
224.10434	9.9
238.17946	8.3
269.17502	60.3
317.55243	6.4
374.17322	15.1
392.18292	100.0
474.26297	14.4
492.26968	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	492.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15217	1.9
55.05510	11.6
57.03448	5.2
62.06076	2.4
65.75890	2.2
67.05508	30.6
68.30251	2.2
69.07064	12.1
70.06594	3.0
75.48509	2.6
79.05496	16.4
80.05026	13.5
81.07062	40.8
82.06578	12.4
83.04985	4.1
83.08624	11.6
84.08153	20.4
91.05478	12.6
93.07060	24.9
94.06576	4.2
95.04947	3.0
95.08604	15.3
96.08148	3.3
97.06563	2.7
98.98451	2.8
105.07078	3.0
107.08595	17.0
109.10140	4.0
119.08544	3.3
119.39667	2.5
121.06549	2.5
121.10136	13.1
126.12792	73.9
131.08551	3.2
133.10144	9.8
139.11185	2.7
144.13841	31.8
149.13257	13.0
155.01051	4.2
177.12717	4.3
192.17448	2.7
195.13911	2.6
220.16945	54.6
224.10466	10.3
232.49223	2.3
238.18025	22.6
259.20230	2.8
269.17438	59.0
294.20660	3.7
315.58032	2.9
318.14951	2.6
351.25351	5.2
374.17264	24.8
392.18335	100.0
474.26010	36.5
474.82437	2.6
492.27191	52.4
509.83740	2.5
513.78876	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	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.1
69.03419	12.7
72.08163	5.5
73.02897	3.1
81.03435	5.2
81.07059	4.4
84.04511	5.0
85.02916	32.7
87.00831	13.5
88.68322	2.9
93.07037	5.6
95.04971	12.2
95.08598	3.9
97.02893	13.7
97.06551	6.8
99.04459	6.0
102.05595	5.0
102.79483	2.9
103.77244	3.3
105.01870	18.2
105.07028	4.2
105.30365	3.2
107.08631	5.1
109.02887	13.1
109.06517	27.0
109.10163	6.7
115.07578	4.7
119.08588	3.7
121.10149	18.3
123.08047	4.8
127.03931	18.8
131.08574	5.4
133.10149	49.7
135.08080	5.6
145.05026	4.2
147.11705	24.3
153.09128	13.7
159.02972	5.6
170.09692	4.2
173.13254	33.1
175.14766	3.6
178.09906	4.1
181.08554	10.9
191.14305	47.4
204.69041	2.6
209.11755	14.8
209.15352	55.8
223.56456	3.3
227.12976	23.6
227.16417	100.0
430.93265	3.6
438.24905	2.9
439.19678	4.4
457.20163	4.4
475.21716	5.9
492.24991	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.05506	8.4
55.14943	1.5
57.07064	2.0
69.03443	12.0
69.07066	6.7
70.06584	2.1
71.05002	2.5
72.08163	2.6
73.02922	3.3
74.09707	1.9
75.69048	1.7
81.03410	10.2
81.07065	4.2
83.04976	4.0
83.08633	21.1
85.02911	44.7
85.06541	2.4
87.00843	14.8
91.05479	2.8
92.21535	1.6
93.07043	7.2
95.04964	28.0
95.08620	3.4
97.02886	15.3
97.06532	30.5
99.04475	14.4
99.08107	2.8
105.01872	23.5
105.07012	12.9
107.08591	20.1
109.02880	10.3
109.06520	35.7
109.10151	14.4
113.09661	1.9
115.07542	1.8
119.08577	10.5
119.74028	1.7
121.10119	22.0
122.57809	1.8
122.60612	1.6
123.08067	19.6
123.11722	6.2
125.05979	2.0
125.09634	2.1
126.14946	1.6
127.03919	27.9
129.01790	1.9
131.08574	7.0
133.10127	35.7
135.08075	11.0
135.11734	6.4
142.08626	3.5
145.04964	7.9
147.11685	52.1
149.09651	7.6
149.13240	3.4
151.11208	4.0
153.09088	28.1
159.02904	3.6
160.07584	16.1
161.07919	8.8
163.13705	1.7
163.14809	14.7
165.12737	51.9
173.13264	25.5
181.12280	2.3
186.09138	35.0
187.09535	36.5
188.10255	10.5
191.14319	36.0
196.21913	1.9
209.15370	98.3
211.13286	7.9
214.10748	2.5
218.14149	7.5
219.14459	3.1
222.52094	1.6
225.14902	7.2
227.16403	100.0
231.04919	4.1
330.19070	2.7
409.91098	1.7
439.19797	9.8
457.20569	9.5
475.21759	10.3
485.24246	2.1
492.24158	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98660	0.8
55.05505	1.1
57.03453	0.9
57.07080	1.0
60.19982	1.1
60.25480	0.8
61.02904	0.8
61.32674	0.7
69.03449	8.4
69.07078	0.9
71.05002	3.7
72.08160	1.3
79.05481	1.0
81.03396	3.8
81.07056	5.1
83.04969	1.3
83.08614	4.7
85.02911	21.1
85.06529	1.5
86.09704	1.1
87.00832	10.9
91.05419	0.9
93.07056	6.3
95.04974	14.4
95.08601	4.8
97.02897	5.8
97.06528	9.8
99.04472	7.6
105.01869	9.7
105.07054	7.0
107.08595	10.1
109.02876	6.6
109.06522	20.9
109.10160	7.9
111.08153	1.3
113.09589	1.0
115.07567	3.7
116.05297	1.2
119.08584	5.4
121.10150	16.0
123.08041	6.6
123.11717	1.9
125.09663	2.3
127.03917	14.2
127.07571	1.4
131.08589	7.8
131.09450	1.1
133.09128	1.8
133.10138	56.3
135.08035	8.3
135.11688	1.8
139.11154	3.4
143.10675	1.4
144.08101	2.2
145.04955	3.6
145.08420	1.8
145.10121	1.8
147.11693	26.7
147.12793	1.6
149.09627	4.2
149.13280	4.9
151.11241	2.0
153.09109	18.3
158.10944	1.7
159.02881	3.6
163.11137	1.3
163.14827	4.5
165.12726	10.6
167.14374	1.6
170.09637	13.2
171.10089	15.3
172.10742	3.7
173.13264	32.6
175.14850	1.2
181.08585	1.4
191.14316	42.0
193.84064	0.9
202.14517	1.7
203.15039	2.2
209.15375	56.8
225.15019	1.1
227.16426	100.0
254.47346	1.3
258.13242	1.0
280.97726	0.9
283.79858	0.9
330.07028	1.1
338.92963	1.0
439.19687	1.9
457.20798	4.7
475.21738	5.4
492.24219	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01876	1.5
53.03947	3.3
55.01878	3.8
57.03434	2.3
58.51001	1.5
64.72801	1.9
69.03428	23.5
69.07073	4.0
69.79534	1.8
71.04986	3.1
73.02896	2.7
79.05520	2.0
79.87865	2.2
81.03426	18.9
81.07053	11.6
83.04984	4.2
85.02914	63.1
85.06531	2.8
87.00833	29.3
93.07046	13.9
95.04974	4.3
95.08605	9.6
97.02893	35.7
97.06530	100.0
99.04476	17.4
105.01875	45.4
105.07034	11.1
107.08605	19.3
109.02888	41.0
109.06510	13.8
109.10172	16.5
111.08088	8.2
113.09624	2.1
119.08595	9.9
121.10164	17.2
123.11740	4.2
127.03922	60.0
131.08563	9.4
133.10152	19.9
135.11667	2.5
137.68707	1.9
139.07500	2.1
139.11253	3.1
145.04977	14.4
145.06030	2.2
147.11659	4.4
149.09567	2.1
149.13264	35.2
151.11160	11.6
153.09090	8.4
159.02895	11.1
163.14778	10.5
167.10687	2.9
167.14360	7.2
169.12273	9.2
173.13300	18.4
175.14815	13.4
191.14272	26.0
193.15819	3.4
209.15355	50.0
213.03963	12.2
227.16400	90.0
231.04834	16.9
249.05728	2.2
330.06598	4.1
330.09961	3.3
335.18585	2.1
357.11526	2.5
369.93924	1.9
439.19601	26.5
457.20868	19.3
492.14795	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	492.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67130	0.7
55.05513	1.4
56.08223	0.7
57.01153	0.7
62.06090	3.5
69.07080	11.2
70.06602	11.1
71.54292	0.7
72.08159	8.9
73.06530	1.2
74.66680	0.7
81.07063	1.3
84.04502	1.4
84.08128	1.3
85.02920	3.0
86.06075	26.4
86.06593	0.9
86.09717	5.5
87.04469	1.1
97.06567	0.9
98.06027	1.2
98.09706	1.2
101.02402	3.5
102.05553	0.9
104.07104	1.9
109.06520	4.2
111.08140	1.2
112.08755	0.9
114.10316	1.3
115.07581	3.4
116.10735	18.8
120.08108	2.9
121.10178	1.4
126.05493	3.6
129.10178	1.3
133.95401	0.7
137.05994	6.4
141.09077	1.7
144.08083	1.1
147.08173	1.0
152.10674	1.7
158.11752	1.3
163.03923	1.0
170.11739	6.7
177.05458	1.7
180.10219	4.2
198.11261	100.0
201.12398	1.9
212.16467	1.3
216.12309	98.8
231.09770	1.7
239.60535	1.0
255.05461	0.9
270.04309	0.8
270.07434	1.3
312.18173	8.4
328.72131	0.8
330.09781	4.3
330.19113	51.7
358.16409	0.8
363.80826	0.7
378.17584	3.5
492.14285	9.0
492.24225	3.6
506.16550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13180	0.5
70.06563	1.9
70.06936	0.5
72.08167	4.7
74.06081	1.0
84.04510	0.8
84.08112	0.7
86.09681	3.5
88.03981	0.9
89.10754	0.5
107.04981	0.6
114.09167	2.0
115.08694	0.6
130.04994	0.6
135.05563	0.6
136.05052	2.2
143.11778	2.1
145.02847	1.8
152.04536	2.8
157.05971	0.7
161.05885	1.8
162.06584	1.1
163.03902	30.5
169.06068	1.9
173.12843	1.1
177.05550	0.9
178.06190	3.5
179.06892	2.6
181.06253	0.6
182.05606	18.7
196.07184	5.2
198.05098	6.0
204.10185	1.0
206.05629	9.1
212.06726	3.8
224.06673	2.2
227.06923	0.6
232.09628	0.6
233.10371	2.2
234.11221	3.3
235.09410	0.8
242.07703	100.0
244.09131	0.8
249.12454	0.6
251.13890	3.4
330.10062	0.7
353.57031	0.6
404.10873	3.3
475.18063	2.3
492.20819	64.7
492.26410	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	492.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11571	2.9
57.87955	3.2
64.21661	2.9
69.51821	2.9
71.04987	3.1
76.00623	3.3
76.44780	2.8
86.09706	3.2
92.17868	3.8
103.05476	13.6
104.10741	13.8
105.07048	20.9
109.17962	3.6
131.04936	12.4
133.06511	32.9
137.06010	7.0
161.05968	61.5
163.07524	36.2
179.07047	22.1
184.07350	7.2
187.86674	4.0
193.08626	100.0
199.07559	6.4
236.54266	3.3
259.07425	7.5
291.10175	13.1
323.12787	20.0
351.12372	14.8
355.19196	3.3
383.14795	13.6
492.26968	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	492.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95038	0.4
54.86889	0.3
65.14959	0.4
68.91463	0.3
70.06583	0.5
72.08154	0.8
72.55050	0.4
85.05450	0.5
86.09708	100.0
92.88905	0.5
100.56673	0.4
119.89184	0.4
130.05087	0.5
132.10205	66.7
135.47076	0.4
136.07552	4.2
144.70453	0.4
150.05470	0.7
159.28569	0.4
163.03876	5.9
170.87558	0.4
177.39214	0.4
178.05067	2.3
182.08211	2.4
198.05159	0.9
242.07886	0.7
394.19843	0.7
492.21567	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13213	1.0
60.05351	2.0
60.05654	61.0
63.52399	1.0
69.00899	5.1
70.06595	4.8
72.08156	4.4
84.08141	5.9
85.02903	1.3
86.03553	61.5
88.11258	2.5
105.07025	1.5
114.09166	5.4
120.04448	1.5
133.06485	1.8
141.06606	6.2
143.11800	5.3
149.05931	1.5
161.05948	8.2
163.03900	13.9
165.00038	1.2
193.08665	4.7
212.06688	7.2
225.02144	7.5
232.10811	8.4
235.83868	1.1
242.07881	1.7
255.27850	1.1
258.08722	21.9
260.10284	78.7
278.11353	100.0
286.08221	78.2
304.09372	1.4
389.14560	2.3
407.15607	84.4
433.13721	5.0
474.23709	1.6
492.18448	62.8
492.25143	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	492.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79813	1.0
55.01881	1.5
55.29932	0.9
64.06989	1.0
69.03407	1.2
70.06608	2.0
70.13962	0.9
82.50697	1.2
85.02914	14.2
85.26405	1.1
97.02917	1.8
107.04945	11.9
120.05750	1.2
120.08085	2.1
123.04415	1.3
127.03928	3.9
131.04922	2.2
133.10138	2.5
139.57883	1.1
143.04953	2.3
144.05693	1.9
145.06549	1.9
147.04494	2.1
161.58737	1.1
163.03876	5.7
167.06998	7.6
168.07352	1.3
171.04381	11.4
177.05573	1.3
189.05524	1.4
191.08633	1.5
191.14377	1.2
203.20190	1.0
207.02844	1.5
209.09753	2.5
219.08060	16.8
220.84233	1.1
221.09546	1.6
223.07518	4.7
237.09084	34.7
247.07544	17.6
265.08578	93.3
277.08688	5.2
283.09656	100.0
295.09711	1.8
300.38113	1.1
313.10693	1.6
427.13815	1.9
457.14972	6.1
488.71130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76505	0.4
55.01883	0.4
55.05527	0.4
62.06081	0.8
67.04178	0.4
67.05530	0.6
69.03421	0.6
69.07072	4.3
69.46670	0.4
70.06597	6.4
70.62179	0.5
72.08167	4.5
75.87940	0.4
81.03411	0.9
84.08157	4.7
85.02905	2.0
85.08485	0.9
86.06065	10.0
86.09700	2.6
88.03992	0.9
90.74277	0.4
93.07030	0.8
95.04970	0.8
97.06464	0.5
98.09676	0.8
99.04417	0.4
103.24799	0.4
104.07114	0.6
109.06507	0.9
111.08064	0.7
112.11223	0.5
114.10283	0.6
115.07587	0.7
116.10725	4.4
119.08584	0.6
125.05963	0.6
126.05521	0.8
129.10216	0.7
130.08675	0.5
132.04439	0.8
136.07574	0.4
137.05966	1.0
138.05579	0.5
139.06320	0.6
141.09100	0.7
143.65192	0.4
145.02847	2.8
147.04407	0.6
147.11383	0.5
155.08224	0.6
158.11760	0.6
160.03925	0.7
163.03923	2.9
167.05722	0.5
170.11745	2.1
177.05563	0.5
178.04965	2.2
180.10202	0.7
185.32306	0.4
198.11264	34.7
201.12366	3.4
212.07080	0.5
212.16418	0.8
216.12320	29.6
222.05472	0.7
224.07037	2.0
225.79283	0.4
227.05707	0.6
229.11787	0.6
236.07126	0.5
238.05034	0.7
238.08710	0.5
240.06535	0.7
242.08069	2.2
243.30095	0.4
252.06528	1.7
254.08112	1.8
255.05215	2.9
256.06076	0.6
259.98312	0.5
260.09210	0.7
263.46130	0.4
268.06210	0.6
268.16998	0.5
269.06738	2.2
270.07605	12.6
272.05496	1.6
272.09198	1.9
282.07761	0.8
284.09250	1.7
288.08667	2.8
294.07559	0.5
298.07101	5.8
300.08575	1.0
302.10236	20.9
312.08682	1.8
312.18118	1.9
315.07443	0.9
316.08221	2.1
330.09729	55.5
330.19016	16.4
333.18143	0.4
464.15665	3.0
492.14954	100.0
492.21274	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	492.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75532	0.3
56.53113	0.4
60.07682	0.3
69.03448	0.7
70.06580	1.0
72.08147	2.5
73.10252	0.4
81.03410	0.5
86.93440	0.4
91.05492	0.5
99.04446	0.5
105.07015	1.8
107.08560	1.0
133.02841	0.6
134.06021	0.7
135.07988	0.5
138.05580	0.5
139.06284	0.8
144.04436	0.6
147.04433	0.6
147.11604	0.9
150.05531	0.9
160.03909	1.0
161.02341	1.9
163.03906	1.0
178.04962	4.6
188.95267	0.5
191.14278	0.7
198.78027	0.5
224.07019	0.9
240.06329	0.7
242.07762	0.5
252.06508	2.1
254.08205	0.6
255.05280	2.4
269.06906	1.1
270.07639	11.1
272.05597	0.5
272.09213	2.6
282.07620	0.5
284.09186	2.2
286.07144	2.2
287.07904	1.8
297.06131	0.5
298.07120	2.2
300.08691	2.3
302.10233	24.3
312.08716	5.3
315.07373	0.9
330.09708	68.7
355.95029	0.5
464.15378	3.1
492.15009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85955	0.5
70.06590	3.6
72.04502	2.3
72.08170	5.3
81.07027	0.6
84.05621	0.5
84.08150	34.7
87.07985	0.5
97.84996	0.6
107.08601	1.1
113.10693	0.9
114.08377	1.3
114.09171	39.7
115.08704	1.4
122.02486	0.6
125.86681	0.6
126.06679	0.7
127.08648	1.1
131.08533	0.7
138.16702	0.6
143.11806	68.4
148.11246	1.1
149.09631	0.8
156.11356	0.8
157.09712	3.6
163.07364	0.7
173.12840	2.2
173.14139	1.1
187.13493	0.6
190.13435	0.6
202.16008	0.7
239.15065	7.6
257.16141	2.5
261.19632	1.3
263.17343	0.6
281.18610	0.9
285.61200	0.5
303.21674	1.2
321.22913	1.0
327.16833	0.7
339.23987	0.8
345.02313	0.5
373.17126	6.9
374.15771	1.2
391.18341	6.5
431.24216	0.8
473.25937	6.7
491.27145	100.0
509.75504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12806	0.5
55.05518	0.7
70.06595	4.1
72.04502	3.2
72.08157	6.6
81.07062	2.3
83.49197	0.6
84.08152	37.2
93.07029	2.5
98.06043	0.8
98.09698	0.7
105.07029	1.2
114.09175	38.5
115.08712	1.2
121.10073	0.9
123.08117	2.1
127.08698	0.9
131.08595	2.3
131.11667	0.6
143.11807	45.0
148.11237	0.7
149.09613	2.5
151.03899	2.4
157.09702	1.4
157.13362	1.1
157.48119	0.6
173.12791	0.7
193.13397	3.8
202.15987	1.2
261.19662	1.2
297.21704	1.3
431.23785	4.1
445.26657	0.9
449.25015	2.5
491.27124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65722	0.5
63.12813	0.4
63.65748	0.4
70.06590	3.2
71.65905	0.5
72.04520	0.9
72.05620	0.7
72.08160	4.1
81.07047	1.0
82.56550	0.5
84.08154	31.5
87.78349	0.6
98.09725	0.7
107.08579	1.1
114.09177	33.7
115.08715	1.0
121.10220	0.6
127.08682	0.9
129.57881	0.5
131.08582	2.3
143.11813	66.6
144.99733	0.5
148.11256	0.8
149.09639	0.9
157.09706	2.2
163.04002	0.6
173.12842	3.3
220.64072	0.6
234.11285	1.1
239.15063	2.7
261.19611	0.9
349.16226	0.6
373.17325	2.5
374.15933	0.7
391.18167	1.2
418.29315	0.6
427.25125	0.8
431.23837	1.2
455.25119	0.9
473.26022	8.0
491.27145	100.0
519.35052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.8
61.04315	0.3
66.29411	0.4
88.03986	1.6
99.82961	0.4
105.07029	0.6
110.64660	0.4
114.09125	0.7
137.06013	0.5
144.08081	28.5
158.09593	1.2
159.10435	0.6
170.09644	100.0
170.35184	0.4
171.10419	25.0
186.11493	0.6
187.12236	0.5
201.13876	6.2
202.14655	14.1
231.83855	0.3
294.64236	0.4
366.94717	0.4
491.26538	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76833	1.3
55.05520	11.9
60.04502	1.6
60.79967	1.5
70.06602	12.8
71.04958	1.5
72.07757	1.9
72.08161	44.3
75.89572	1.4
77.59602	1.5
83.92871	1.7
84.08154	7.1
85.02917	2.1
86.09704	10.3
97.02911	2.0
98.06060	96.9
98.74412	1.9
110.07188	3.0
115.08699	100.0
127.03951	1.9
129.10258	3.5
130.05025	2.5
137.05978	7.1
152.07069	3.4
163.03764	2.1
167.07027	17.6
175.07497	1.9
177.05362	2.8
192.07825	2.5
192.11278	1.9
201.72128	1.7
206.11737	12.9
236.12897	2.3
257.14044	1.8
266.13852	3.1
269.08081	2.3
301.10754	25.6
303.12299	2.8
321.18396	1.7
329.10309	8.1
417.20175	69.8
433.18027	2.1
491.12030	1.7
491.20953	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	491.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06575	1.1
63.66626	0.2
70.06583	0.3
72.08156	0.9
78.89814	0.2
79.58250	0.2
84.08134	0.3
96.54266	0.2
102.31337	0.2
105.65456	0.2
108.59631	0.2
144.08092	28.0
145.08835	1.0
158.09645	1.9
159.10399	0.3
163.03894	0.5
167.06975	0.4
170.09647	100.0
171.10426	25.5
187.12254	0.3
190.12984	0.3
201.13857	4.2
202.14659	18.4
205.78004	0.3
318.19107	0.2
447.24823	7.3
491.23911	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85000	0.6
55.01863	0.7
69.03436	1.5
70.06590	0.6
81.03416	0.6
82.92765	0.5
84.08131	0.9
85.02917	5.9
89.03158	0.6
91.05470	1.0
97.02863	1.1
99.08091	0.6
105.07047	0.9
107.04948	3.7
109.02888	0.9
109.06581	4.0
109.07196	0.6
114.09166	0.7
117.07008	3.9
123.08086	0.7
127.04021	0.8
131.04938	1.4
133.06482	5.6
137.05981	100.0
143.11772	3.8
145.04861	0.8
145.05270	0.7
145.06487	21.1
147.04323	1.3
147.08058	0.7
149.06020	0.7
157.06487	12.9
161.05965	19.2
162.06761	10.7
169.06465	3.2
174.06705	1.2
175.07552	5.2
177.05435	0.7
178.07793	2.5
179.08572	2.5
182.81529	0.6
183.13815	0.5
189.07034	0.9
191.08511	0.7
193.10085	5.1
195.07980	0.7
203.08521	4.3
204.09177	0.6
205.10263	0.6
206.07370	1.2
207.08034	9.8
207.13858	2.8
209.09628	3.1
217.06439	0.6
219.08086	1.2
220.08824	0.9
221.09605	21.3
223.70215	0.6
225.14781	1.2
231.08040	5.4
232.08914	0.7
233.09575	3.4
234.06778	3.4
235.07533	57.9
237.09152	5.0
249.09087	55.2
250.09921	1.2
251.10631	2.1
252.07928	0.9
253.12332	0.8
255.10162	7.5
261.09064	7.5
263.10559	0.7
265.08624	2.4
265.12000	0.7
266.09430	5.1
267.10147	49.3
269.11719	21.8
279.10144	1.1
280.10895	7.3
281.11710	61.2
293.11652	9.4
297.22900	1.3
299.12756	16.6
311.12762	59.0
329.13834	20.2
473.18021	3.4
491.20166	2.4
491.27133	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	490.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18013	0.4
55.05511	0.6
55.81874	0.4
57.03425	2.9
57.03667	0.4
57.07069	0.8
58.06612	13.9
59.07393	3.8
59.30158	0.4
60.08176	6.0
67.05496	0.5
67.37884	0.4
69.07050	2.8
71.08620	0.5
71.50916	0.4
75.04480	0.8
81.07059	0.6
83.08612	2.2
84.08141	0.6
85.02897	2.0
87.04461	2.6
93.07029	0.6
95.08600	0.7
97.06526	0.7
97.10145	1.9
109.10145	0.5
113.06036	0.9
117.05482	2.6
121.10118	0.5
131.07022	1.9
135.11700	0.6
144.10199	9.5
162.11284	1.0
165.89664	0.4
200.12793	0.6
218.13811	0.8
236.14938	100.0
249.32979	0.5
260.15067	0.7
367.28717	1.5
410.36115	0.9
454.35294	9.9
472.36447	1.8
490.37402	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04131	0.4
58.06612	0.9
70.06586	1.2
71.75481	0.5
72.08162	12.2
75.21053	0.4
78.10537	0.5
84.08126	2.6
96.68370	0.5
100.07626	3.0
112.11235	4.3
113.07139	10.8
123.04420	9.6
129.13901	1.9
135.04411	0.5
137.05997	1.0
145.02887	0.6
155.11794	64.7
160.49380	0.6
163.03894	45.2
165.05464	9.2
172.14453	16.0
183.12715	0.6
219.11284	0.9
220.09688	75.5
222.11226	0.8
236.12831	23.4
253.15529	2.3
291.16986	0.7
293.18622	13.7
310.21237	21.5
336.15479	0.6
336.19186	4.1
346.68747	0.5
364.44794	0.5
373.28333	0.6
454.23312	0.6
472.18054	1.1
472.24503	25.6
483.20007	0.7
490.25507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35330	0.9
58.06606	1.3
65.24654	1.1
66.35481	1.0
70.06586	2.0
72.08149	7.6
84.04503	5.9
85.02879	1.5
86.09688	2.6
95.06094	4.5
97.07648	1.3
98.06081	1.5
102.05513	1.7
112.08716	2.6
114.10292	12.3
115.08705	2.8
118.54634	1.2
123.90499	1.2
129.10297	1.1
130.05008	6.9
132.10199	1.3
148.06053	8.2
154.13376	2.7
157.10846	28.4
163.03905	16.3
215.08179	1.5
222.08826	2.8
234.11166	2.0
251.13649	1.0
257.09219	7.4
273.08649	5.4
276.13361	6.4
293.16049	36.9
299.11163	1.5
315.67731	1.0
328.16537	1.8
343.17545	5.9
345.18930	3.4
358.18311	1.2
368.17261	6.3
370.18777	21.9
385.19931	15.6
386.18207	40.1
387.21490	5.1
403.20868	27.8
414.17624	1.9
423.68320	1.3
431.20404	8.1
490.20566	3.9
490.27734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	2.9
59.05006	5.0
60.77406	0.5
70.06604	7.4
72.08160	16.3
73.48292	0.5
81.03429	0.8
84.08159	3.6
86.06068	7.3
86.09718	2.4
98.06091	0.7
98.27474	0.5
99.73283	0.5
100.07659	0.6
103.05472	0.7
110.07191	0.7
112.11252	1.3
114.05547	1.0
116.07097	1.2
123.04421	11.2
129.10248	0.7
129.13843	0.7
135.04430	0.8
146.99265	0.6
147.04462	2.3
148.04793	0.8
149.05957	1.9
153.05510	2.3
155.11807	0.7
163.03889	14.0
164.07022	4.1
165.05473	11.8
165.06686	0.8
166.05765	0.9
177.67052	0.6
192.06522	3.9
192.19313	0.5
194.08200	2.5
194.25555	0.6
220.09731	11.1
222.11307	2.7
230.02705	0.7
236.12807	11.7
238.10733	96.2
258.02228	11.0
264.07474	2.8
282.08539	0.8
293.18774	1.4
299.04831	4.1
309.18185	1.1
310.07925	0.8
310.21317	2.2
320.19937	0.6
345.05603	1.4
354.12332	0.6
356.07269	2.7
402.07742	1.1
490.17709	6.6
490.25620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17583	2.5
55.05509	3.8
56.76118	2.4
67.05498	4.0
69.03427	3.3
70.06586	15.0
72.08159	13.1
76.05144	24.4
81.07054	5.8
83.05002	3.9
84.08131	3.8
85.02905	47.1
86.09731	13.5
89.06026	3.7
91.05499	3.5
93.07047	14.6
95.05000	3.8
95.08615	4.6
97.06530	3.4
105.01846	5.8
105.07049	35.3
107.08598	12.0
109.02928	3.6
109.06525	20.4
115.30936	3.4
119.08589	34.3
120.16087	2.9
121.10136	14.2
123.08064	20.4
123.11706	50.6
125.05984	5.4
127.03890	6.2
129.57545	3.1
131.08592	3.7
133.10110	3.3
139.83101	3.2
143.08559	4.4
145.10158	18.9
147.11690	77.6
149.09615	6.2
163.11217	12.7
165.12898	3.8
170.09703	4.2
171.11754	5.2
189.12733	100.0
196.11269	6.7
198.09169	4.2
207.13808	81.1
225.14859	31.9
268.56293	3.5
295.06119	4.5
408.66867	3.2
490.20993	6.2
490.29401	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	490.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
61.02956	0.9
69.03425	7.3
71.05001	1.6
73.02916	1.5
76.35863	0.8
81.03425	7.1
82.69294	1.0
83.04951	2.8
85.02911	28.3
87.00845	10.2
88.22090	0.7
95.08620	1.2
96.62424	0.7
97.02900	12.5
99.04453	5.3
105.01890	11.9
105.44644	0.8
108.73288	0.9
109.02867	10.6
109.06533	3.5
111.04427	1.7
121.06482	0.8
121.10127	6.0
123.08069	100.0
127.03921	17.1
129.01855	1.7
133.10080	0.9
137.05946	0.7
144.08112	1.4
144.29517	1.1
145.04985	5.5
145.08508	1.1
147.11656	1.4
149.09660	5.9
151.11201	6.9
159.02831	5.7
161.13303	1.2
163.11211	1.4
167.10677	4.8
170.09669	1.9
171.10173	1.1
171.11552	0.8
181.12254	7.4
189.12825	1.5
207.13791	14.8
225.14861	56.0
231.05017	5.4
286.14490	0.8
413.73474	0.9
437.18149	3.3
455.19073	4.3
473.20209	9.6
490.23474	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	490.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47704	2.2
55.01898	2.8
55.05508	2.8
57.52271	2.3
70.06596	11.0
71.05002	3.4
72.08147	4.4
74.23654	2.3
76.05140	3.3
78.05797	2.7
79.88650	2.7
81.03441	3.1
81.07070	11.5
85.02924	39.7
86.09722	4.3
87.00856	3.4
87.87531	2.6
89.06026	4.9
91.05479	10.2
93.07050	11.2
95.08604	4.6
103.03947	2.9
105.01806	4.1
105.07050	25.5
107.08573	10.1
107.37037	2.4
107.37809	2.8
109.02895	4.5
109.06521	20.6
109.10162	5.2
112.26388	3.0
117.07007	2.6
119.08576	44.9
121.10150	12.9
123.08093	15.0
123.11708	53.8
126.12862	6.2
127.03909	9.5
131.08569	5.0
145.10114	15.6
147.08069	3.5
147.10521	2.9
147.11697	84.9
149.09557	3.2
151.07585	3.7
152.53445	2.7
163.11176	5.0
165.12718	3.2
170.09653	3.3
189.12758	100.0
196.11250	2.8
198.09213	6.4
207.13829	86.8
224.10753	4.0
225.14877	45.7
242.15074	3.8
305.90573	2.8
310.07349	3.7
328.08237	14.6
455.30954	3.1
490.13449	15.3
490.29272	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85263	0.4
52.81110	0.4
52.90791	0.4
53.17579	0.4
55.01881	1.0
57.03440	0.9
61.02932	0.6
61.49261	0.6
62.71252	0.4
67.05510	0.6
69.03439	7.1
70.06590	0.7
70.69538	0.5
71.04998	1.1
72.08169	0.9
76.97985	0.5
78.25935	0.5
81.03425	4.4
81.07069	1.2
83.05000	1.9
83.90889	0.5
85.02417	0.8
85.02913	20.0
86.09679	0.9
87.00838	7.2
87.67426	0.6
87.75998	0.5
93.19306	0.5
95.04914	0.9
95.08609	1.3
97.02885	7.9
97.06532	2.1
99.04461	5.0
99.08122	0.7
105.01874	6.5
107.08629	0.6
109.02885	9.4
109.06499	3.2
110.13419	0.5
111.04461	0.9
111.08054	0.6
115.42869	0.5
118.33980	0.5
119.08583	1.0
121.06511	0.7
121.10145	5.3
123.08071	100.0
127.03922	16.1
129.01848	1.0
133.10144	1.0
135.08025	0.7
135.11693	0.9
145.04968	5.1
145.10104	0.8
147.02797	0.6
147.08054	0.7
147.11716	2.0
149.09610	4.3
151.07579	0.6
151.11183	8.3
159.02887	5.5
163.11211	3.5
167.10681	4.5
176.08328	3.8
181.12206	7.1
189.12776	0.7
207.10133	3.7
207.13780	8.4
213.03802	0.6
225.14854	41.2
231.05005	3.1
236.14949	0.8
249.06067	2.0
382.68631	0.6
455.18896	2.1
473.20273	3.5
490.22748	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	490.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.7
58.63107	0.6
58.87207	0.5
65.03938	0.6
69.03436	9.5
70.06582	1.1
72.08179	0.8
79.05490	4.5
81.03413	3.5
81.07070	0.7
84.08155	0.7
85.02913	24.6
86.09722	2.5
86.44248	0.7
87.00834	4.8
88.89804	0.7
89.03960	0.7
91.05483	9.5
93.07047	13.9
95.04996	1.3
95.08607	7.8
97.02888	4.5
97.06518	1.4
99.04462	1.7
105.01851	7.2
105.07044	5.1
107.08599	88.7
109.02871	5.5
109.06521	3.2
109.10159	0.9
117.07066	1.1
119.08540	5.6
121.06492	3.7
121.10143	13.8
122.05959	2.6
123.11723	3.2
127.03931	10.5
127.07553	3.8
129.06978	0.9
131.08569	100.0
133.10167	1.1
135.04395	1.7
136.07600	1.3
137.09608	5.9
139.03902	1.4
145.02907	1.2
145.04947	0.9
145.10138	2.6
147.08017	0.9
147.11691	19.7
149.09633	22.9
151.07581	1.0
156.09341	0.8
159.02878	1.5
161.06065	0.8
163.03897	15.3
163.05159	1.0
164.07008	1.5
165.12740	1.3
171.11682	4.8
177.05518	0.8
189.12738	49.0
207.13805	34.4
213.03944	1.6
231.04939	6.5
249.06000	4.2
272.13419	4.2
287.13965	1.3
296.06406	1.1
328.21320	3.2
351.17825	0.9
362.18613	1.5
393.19131	3.5
400.16122	1.2
406.17749	1.4
409.16550	1.7
419.17075	4.2
437.18161	5.2
452.18231	1.2
455.19165	9.8
472.18073	0.9
475.18768	1.1
481.18817	3.8
490.19763	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	490.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83520	0.5
57.98212	0.7
70.02946	1.2
70.06575	0.8
71.09747	0.5
72.08165	6.7
76.04015	0.7
85.74140	0.6
89.10796	0.8
96.04490	2.3
98.06062	0.9
141.57941	0.6
156.26805	0.5
183.74437	0.6
188.01688	2.2
199.07214	1.3
202.03224	1.2
204.01152	1.2
216.01038	4.0
226.05026	1.3
230.02690	9.9
257.03769	5.7
258.02197	93.6
269.03906	0.6
287.04742	1.4
296.17737	0.6
298.06549	1.0
299.04855	42.6
311.05032	0.7
315.04315	7.2
326.05865	1.0
327.04330	6.7
345.05374	11.7
356.07022	22.2
363.34753	0.6
372.06622	4.3
402.07535	17.9
473.14935	3.2
481.20248	0.7
490.17578	100.0
506.46677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	0.5
61.43979	0.4
67.05508	2.5
69.03427	0.7
70.06583	1.0
72.08151	2.6
75.19142	0.4
81.03427	1.7
84.08148	0.4
85.02906	2.5
85.06541	3.0
86.09710	1.1
87.00819	0.6
91.05465	0.5
92.17867	0.7
94.62471	0.4
95.08616	12.6
97.02862	0.8
98.54270	0.5
100.79753	0.4
100.80423	0.4
105.01868	0.5
107.08588	1.0
109.02892	0.9
109.10249	0.6
113.06023	2.2
119.08575	3.9
121.10188	0.8
123.08083	6.2
127.03888	1.9
132.06125	0.5
132.10159	0.7
133.10167	0.6
135.11703	3.4
137.05991	1.0
137.09595	0.5
145.02821	3.5
146.03197	0.9
147.11681	0.8
149.09634	6.3
156.52921	0.4
161.13277	2.4
162.45911	0.4
163.03966	0.6
163.11218	0.7
165.05449	0.6
165.12749	1.8
177.05484	2.9
178.05775	3.3
180.07777	0.5
181.04953	6.9
182.05330	3.8
189.12733	3.2
197.08167	0.5
207.13808	16.9
208.07301	2.2
209.07741	1.8
222.05530	2.4
223.06396	0.6
224.03456	0.9
224.07198	0.7
225.07700	0.6
225.14871	0.8
226.08543	1.8
231.05075	0.5
239.05833	2.0
240.06552	2.7
242.04465	5.2
250.04948	8.7
251.05869	0.6
252.06508	2.0
253.07471	1.0
254.08099	2.8
256.06223	0.5
264.06561	1.7
267.05270	10.4
268.06049	10.9
269.06839	3.4
270.07681	1.0
281.06882	1.0
282.07657	4.5
284.05566	4.2
285.06311	14.0
295.04926	2.3
298.07343	0.6
299.07849	7.0
300.08707	14.0
310.07135	9.2
313.05692	5.9
328.08170	45.3
328.21231	2.8
370.09991	0.5
371.76984	0.5
402.12573	2.3
404.09741	2.1
427.21436	0.5
447.11563	4.6
462.14066	4.9
475.10950	0.7
479.57080	0.5
490.13489	100.0
490.23071	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	490.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98825	0.9
59.99115	18.2
72.08173	0.9
81.03451	0.7
88.02218	69.1
100.07619	0.8
110.87121	0.5
116.05316	100.0
118.85793	0.6
122.91028	0.5
144.08110	1.0
154.64825	0.5
170.09712	2.7
176.96996	1.0
210.98813	1.0
211.25943	0.5
215.95795	0.5
273.60556	0.5
287.69757	0.5
308.19037	0.5
328.06348	0.5
457.35071	0.5
490.12015	20.4
490.18866	0.8
490.24319	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	489.3577
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
69.07059	3.1
76.33324	2.4
81.07054	5.6
86.22993	2.4
93.07044	5.0
95.08579	19.9
99.08073	12.1
105.07027	14.4
107.08599	26.9
109.10136	10.0
119.08578	45.6
121.10146	26.0
123.11714	6.2
124.21555	2.7
131.08565	23.8
133.10141	31.3
135.11691	15.5
145.10127	17.0
147.11708	72.3
149.13268	4.0
159.11691	17.9
161.13272	11.5
163.14783	4.2
173.13223	11.5
175.14842	18.1
177.16383	24.7
187.14809	52.0
189.16377	51.6
191.17928	5.3
199.14882	5.0
201.16383	100.0
203.17987	3.8
205.15886	71.5
207.17476	14.4
213.16400	6.1
219.17511	10.1
227.17857	4.3
306.75436	2.8
389.31979	4.8
407.33136	33.2
425.34219	38.1
443.35397	4.1
447.68997	2.8
453.33609	41.4
471.34470	20.4
489.35458	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	489.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.2
58.06321	0.6
58.06608	14.5
59.07143	0.5
59.07391	8.9
60.08173	13.9
68.98257	0.4
69.03416	0.8
71.89452	0.5
72.08161	24.3
84.08150	1.1
85.02907	2.3
85.05277	3.1
85.06512	1.5
86.09699	3.0
100.07623	91.4
102.09155	1.0
109.10181	1.0
117.10250	6.5
121.44781	0.5
123.11713	0.7
127.03941	0.6
128.10706	0.5
134.06015	3.1
136.07550	0.6
144.57420	0.5
145.02893	0.6
152.10741	0.6
153.45319	0.5
160.07570	0.6
161.12857	12.0
178.04482	0.6
183.68533	0.4
184.89027	0.6
190.12314	0.6
199.24930	0.5
200.84926	0.6
202.12282	8.1
213.12451	0.6
219.14830	0.8
229.19095	0.7
241.21654	0.7
303.16986	1.0
342.61459	0.6
417.28430	2.8
445.28009	0.6
461.31033	6.3
489.30731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57147	0.3
58.02678	0.4
58.06319	0.5
58.06610	12.4
59.07393	6.0
60.04535	8.0
60.08173	35.4
69.07066	2.1
69.13184	0.4
70.06598	0.6
72.08155	2.1
74.06061	0.5
84.08140	2.5
86.09685	0.6
88.24280	0.4
94.27046	0.4
97.06526	2.5
109.06529	0.4
114.09176	3.5
114.12810	2.4
115.05046	0.5
124.07590	0.8
128.10701	1.6
128.51312	0.4
134.06015	11.1
135.69719	0.4
136.07600	0.9
138.09145	8.1
141.23367	0.4
154.08618	0.4
159.14946	0.6
160.07571	0.8
163.03893	2.0
173.16502	19.2
180.13875	4.3
181.14603	1.7
190.12248	5.3
200.10687	4.4
202.12273	13.6
212.10373	0.4
214.12367	0.5
217.17612	0.4
219.14952	0.4
226.12346	0.6
228.10321	0.7
239.21153	0.8
241.22900	0.7
251.99960	0.4
254.11708	0.5
270.18460	0.5
270.34619	0.4
287.14017	1.8
289.15540	0.7
297.12164	0.4
315.13144	0.5
315.20761	2.2
356.23074	0.4
374.24207	1.3
402.23755	0.8
431.29907	0.5
461.31204	9.2
489.30743	100.0
514.04120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
53.17435	1.2
55.01887	1.8
55.05513	9.8
57.03436	2.3
57.07093	3.4
59.82683	1.3
67.00492	1.4
67.05513	12.5
69.03443	16.5
69.07070	19.2
71.04979	6.6
73.02932	2.3
79.05482	3.2
81.03438	11.7
81.07071	29.6
83.08627	11.7
84.16284	1.4
85.02907	31.0
85.06552	100.0
85.53986	1.6
87.00845	12.4
87.04475	1.8
91.05474	3.0
92.17806	2.9
93.07036	9.4
95.05020	1.9
95.08608	47.6
97.02891	8.9
97.06532	1.8
97.10162	8.8
99.04442	6.9
99.08131	11.8
105.01869	7.8
105.07014	3.2
105.37653	1.7
107.08626	14.8
109.02898	12.1
109.10166	40.4
111.08086	2.3
113.09661	3.0
119.08573	6.5
121.10154	13.3
123.08056	2.8
123.11729	44.6
125.09638	2.3
127.03910	20.9
127.11220	8.4
128.85681	1.6
133.10129	3.1
135.11661	15.2
137.13277	3.0
141.12769	4.0
145.04996	3.2
149.13275	13.7
159.02852	2.2
159.11728	3.4
163.14804	2.5
174.94124	2.6
205.19446	11.2
223.20538	16.3
241.21625	85.6
327.25391	2.6
392.21301	1.7
435.23694	3.7
453.24994	3.9
471.26135	2.1
489.31271	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45389	1.6
55.01863	1.9
55.05518	8.5
55.08780	1.8
57.03428	2.6
57.07088	3.1
60.22383	1.6
61.02927	2.0
67.05505	12.6
69.03432	9.2
69.07083	15.4
71.04988	9.2
79.05486	3.5
81.03429	11.5
81.07073	32.6
83.08626	11.4
85.02921	26.5
85.06553	100.0
87.00848	8.3
91.05483	3.0
93.07050	10.2
95.08613	40.4
97.02915	13.8
97.10172	8.5
99.04469	2.5
99.08105	37.6
101.90010	2.1
103.80183	2.0
105.01879	10.2
105.07022	3.4
107.08590	16.6
109.02888	4.0
109.06517	2.0
109.10170	42.0
111.08039	3.6
112.79453	1.7
113.09660	2.5
118.17230	1.9
119.08586	3.6
121.10162	12.7
123.08054	2.2
123.11717	34.3
127.03883	13.4
127.11199	7.8
129.35495	2.0
133.10139	3.2
135.11687	10.9
139.11090	1.9
141.93050	1.8
145.04976	3.9
145.10153	7.4
147.11670	4.5
149.13268	12.5
159.02844	2.5
161.13289	2.2
163.14795	3.7
177.06961	2.3
185.13177	2.5
205.19569	12.2
223.20580	20.0
236.52522	1.8
241.21655	46.9
281.27628	1.9
287.81396	1.8
327.25278	2.0
331.22675	3.6
435.24005	8.0
453.24594	8.0
471.25983	7.1
489.17230	2.5
489.30600	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	489.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66325	1.1
60.04557	1.2
62.60241	0.8
70.06615	11.1
72.04514	2.5
72.07817	1.2
72.08167	17.3
83.04972	1.9
84.05622	4.0
84.07677	1.8
84.08150	40.9
85.02867	1.2
93.59112	1.1
98.06014	2.3
101.05987	1.1
110.07180	1.3
112.07618	1.2
114.08376	1.6
114.09172	42.5
115.08662	1.9
121.16779	1.0
127.08675	4.7
136.11151	1.1
140.01620	1.1
143.11816	51.1
157.09743	1.5
157.23409	1.0
163.03900	5.5
173.12799	2.4
173.49776	1.1
197.14020	3.6
208.55179	1.0
265.94843	1.3
354.73434	1.0
373.24484	1.4
437.18753	1.2
447.23138	2.5
480.69455	1.5
489.19330	5.4
489.25464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16969	0.2
55.67678	0.2
57.03450	0.3
58.06601	1.8
59.07387	0.9
60.08170	2.1
61.39608	0.2
75.04473	0.7
84.05653	0.3
85.02898	0.4
87.04467	1.5
131.07048	0.7
236.14929	100.0
254.11386	1.7
261.38153	0.2
340.62747	0.2
362.05374	0.2
489.25620	0.3
501.76965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15284	0.5
52.88540	0.5
53.59867	0.5
57.72126	0.5
66.67728	0.5
68.70461	0.5
70.06596	6.8
71.42962	0.6
72.04526	3.7
72.08163	7.9
79.13702	0.6
83.04988	1.1
84.05635	1.4
84.08154	29.9
85.02946	0.8
91.05497	0.6
92.61993	0.5
93.07067	0.9
93.75589	0.6
98.06039	1.0
110.07212	1.0
112.07670	1.1
114.09179	38.3
115.08722	2.5
121.06554	0.6
123.08105	0.6
127.08713	3.3
129.05498	0.9
143.11810	48.9
157.09734	3.4
173.12856	2.4
173.14124	0.9
197.14005	3.9
221.67130	0.7
239.14932	1.4
313.15582	0.6
332.21045	0.7
355.23389	1.4
373.17197	1.0
373.24454	4.7
443.25314	0.8
447.23322	2.6
472.22845	1.1
489.25558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28367	1.1
58.06603	2.1
59.07394	1.4
60.08157	8.0
62.59171	1.0
114.09202	2.1
134.06003	1.3
138.09122	1.3
143.89415	1.3
144.08061	1.3
160.07574	98.5
161.08322	2.7
167.07030	1.3
170.09715	8.7
171.10464	1.7
173.16521	2.5
174.09077	1.8
186.09151	59.9
187.09903	9.1
188.09410	3.1
189.10143	1.5
202.12238	2.5
203.11803	8.7
204.12573	32.7
207.91267	1.5
240.10257	2.6
260.79654	1.4
267.89282	1.3
300.15857	1.3
303.17023	1.4
489.24887	100.0
489.30960	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00716	0.4
72.71307	0.4
85.36536	0.4
89.55266	0.4
98.06062	2.0
105.07062	0.4
105.52271	0.4
148.07634	0.5
160.07576	100.0
161.08342	5.3
170.09654	1.0
174.09161	2.3
186.09146	56.7
187.09923	12.2
188.07031	0.5
188.09392	3.0
189.10257	1.7
203.11792	9.1
204.12579	35.0
205.13419	0.6
210.94907	0.5
240.10197	2.5
285.12592	0.5
285.15985	1.0
303.17081	2.7
489.24976	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2499
Annotation	Tiegusanin B
Peak:m/z	Relative Intensity
51.18206	0.4
74.38587	0.7
79.36061	0.5
92.55157	0.6
114.44622	0.6
121.02809	0.9
144.08087	76.7
145.08876	4.5
148.07579	3.4
158.09657	3.3
170.09639	72.9
171.10422	12.8
172.09923	0.8
187.12299	8.1
188.13083	25.0
188.14804	0.8
209.08414	0.7
224.10649	9.1
267.14468	0.6
269.16528	5.2
287.17502	4.1
470.50043	0.7
471.24158	0.9
489.24994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46531	0.8
53.03952	1.1
55.01878	1.2
55.05510	1.6
66.60247	0.9
67.05506	2.0
68.47416	0.9
69.03440	13.7
70.06590	10.5
70.48633	0.9
71.04987	1.8
72.07803	1.2
72.08158	20.3
73.02921	1.3
73.50548	0.9
79.92898	0.9
81.03430	4.9
83.05001	7.8
84.08151	5.5
85.02907	16.7
85.06535	1.8
86.09703	6.2
87.00822	6.9
89.10770	1.1
91.05484	5.2
92.18376	1.5
93.07046	45.3
95.04975	5.4
95.08601	2.2
97.02882	7.5
97.06520	1.5
99.04433	1.9
100.38884	0.9
103.05486	1.7
105.01870	6.6
105.04484	1.1
105.07032	1.8
107.08591	4.8
108.04535	1.3
109.02876	6.6
109.06514	4.2
109.10130	2.5
110.58273	1.0
111.08124	1.4
112.07603	1.3
114.10290	4.9
115.04018	1.3
115.08682	1.4
119.08595	1.5
121.06506	100.0
121.10159	4.9
123.04429	8.4
123.08084	2.2
125.06059	1.1
127.03922	11.7
127.07539	7.7
131.04955	1.5
131.08578	1.3
131.12914	4.3
133.10132	1.7
135.08052	2.1
135.11714	2.0
137.09622	4.6
139.07549	5.1
145.04974	2.4
145.10103	1.8
147.04407	12.9
147.07973	1.3
148.03946	1.5
149.09648	8.6
149.10678	1.7
150.09145	8.4
151.07573	1.4
155.10657	4.7
155.11755	1.3
159.02832	1.9
159.11688	9.9
161.09587	1.3
163.03888	6.9
163.11229	4.5
165.05460	11.7
167.07040	2.4
175.11169	4.2
177.12773	4.6
179.10686	6.7
181.12193	1.3
187.11122	5.5
192.11328	4.2
193.12222	4.3
202.73007	1.0
205.12253	49.6
209.13992	4.1
217.21861	1.0
220.09705	1.3
223.13304	44.3
241.14450	5.5
253.12923	2.4
254.91869	1.0
288.44879	1.0
301.74280	1.2
352.37720	1.1
363.08578	1.1
461.22943	1.2
471.18896	5.4
480.20398	20.1
480.69623	3.7
483.51056	1.1
489.12753	2.2
489.19852	11.3
489.25882	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	489.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31802	0.6
55.01874	2.6
55.05519	1.0
61.90435	0.6
64.19421	0.8
65.06530	0.7
67.22678	0.7
69.03437	0.8
70.06588	1.5
72.08145	4.9
85.02903	1.6
86.09703	0.9
87.00810	0.7
91.05492	0.9
105.01841	0.9
105.03397	1.3
107.04980	0.9
109.02927	0.8
109.06573	0.8
111.04495	0.9
114.09212	0.9
117.03347	3.3
119.04927	3.6
123.04453	1.8
123.08047	1.0
127.03905	1.6
137.05986	7.0
137.09578	0.9
144.08054	1.2
145.02858	40.2
147.04422	1.8
149.05977	1.2
151.07555	1.0
153.05502	7.4
155.07040	3.0
159.03064	0.7
159.04395	1.1
163.03877	3.5
165.05463	11.8
166.06258	1.1
167.07059	2.9
170.09702	0.9
175.03922	9.6
177.05479	81.4
179.07001	2.9
180.07819	9.3
181.04961	100.0
187.03889	3.4
193.04936	4.7
195.06531	6.3
197.08112	2.8
201.05504	3.7
207.06522	8.8
208.07332	35.5
209.08116	3.3
219.06529	4.9
223.13141	1.2
225.07608	16.6
226.08357	6.9
241.14175	1.4
248.52225	0.7
265.15381	0.9
297.94385	0.8
369.09769	7.6
379.56473	0.9
383.11502	5.7
401.12338	24.7
472.19833	1.6
489.22321	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52238	6.9
53.40212	7.7
56.81365	7.6
57.07076	50.4
60.50623	6.9
72.23411	7.9
89.06036	93.2
94.35842	8.0
109.21643	9.2
121.06509	56.9
133.08672	11.8
158.50009	8.6
165.09081	11.7
170.09625	12.6
233.19145	12.9
359.20691	41.4
431.74332	9.2
471.33145	100.0
488.36044	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14943	0.8
57.03440	1.6
57.07085	2.3
57.16584	0.9
58.06612	14.7
59.07394	4.3
60.08172	5.2
71.08661	1.9
83.08655	1.1
85.02898	1.1
85.10194	1.8
90.10961	1.0
95.08607	4.0
144.10185	12.7
214.43718	1.0
236.14925	100.0
288.27740	1.0
327.28925	1.2
470.38641	12.0
488.39746	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91924	0.5
62.08818	0.6
62.39650	0.5
64.46860	0.5
67.46529	0.5
67.53503	0.6
80.19175	0.5
86.09724	1.9
86.78069	0.5
98.09702	6.7
100.11257	3.3
107.04952	0.6
112.11228	5.8
128.10712	3.9
130.12282	22.5
135.07013	1.1
135.08054	29.8
142.12315	3.5
144.08092	4.9
145.08496	2.2
149.02370	3.0
155.84500	0.5
159.23186	0.5
170.09634	18.4
171.10013	11.2
172.10889	2.4
173.09697	2.5
191.10751	2.8
202.14658	2.5
203.15100	1.2
209.11716	10.5
304.06464	0.6
444.27856	0.9
488.30197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09405	0.4
52.94158	0.3
55.05510	0.4
58.06580	2.0
63.10102	0.4
72.08165	7.0
84.08135	0.5
100.07611	5.4
106.64018	0.5
112.11211	2.4
122.39882	0.4
123.04427	20.3
129.13916	0.5
136.07536	0.9
137.04924	0.6
137.05980	15.9
165.05467	22.6
177.05469	1.9
178.05850	1.0
179.07086	5.6
221.12756	0.5
222.11255	97.7
236.12819	19.0
250.14423	7.0
286.09818	0.5
293.18759	0.8
333.90479	0.5
350.93134	0.5
455.37881	0.4
470.26672	1.7
488.27557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48839	1.7
58.61528	2.1
59.05011	100.0
73.04760	2.4
83.56991	1.9
91.05791	2.7
103.07584	67.2
113.28370	1.8
147.10146	11.5
173.76755	1.9
181.07191	7.4
185.45421	1.8
194.33839	1.9
207.08728	4.3
208.36395	2.0
221.08411	2.7
239.09489	11.8
251.11359	13.7
315.16190	1.9
357.70523	2.0
381.21265	12.0
399.22476	3.2
488.28891	16.9
493.59998	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	488.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79243	0.5
52.49398	0.4
69.04988	0.5
70.06575	2.9
72.08158	15.2
75.09246	0.8
76.63721	0.5
79.37228	0.5
84.08144	1.2
85.02899	0.5
95.11844	0.5
95.79850	0.5
97.44701	0.5
112.11233	3.3
113.07156	0.7
118.75711	0.4
119.04900	0.6
119.84942	0.5
126.46342	0.5
129.13876	3.3
135.04396	2.3
137.05991	2.4
145.02841	3.1
146.16501	3.5
147.04381	2.1
155.11790	22.7
163.03893	98.7
167.07085	0.8
172.14452	6.7
177.99152	1.0
196.97441	0.6
202.94055	0.5
220.09677	100.0
222.11131	0.5
234.11224	7.3
237.12361	0.8
283.26141	0.5
291.17017	7.4
295.64578	0.5
308.19693	11.2
317.14932	0.9
321.20200	0.5
325.06812	0.5
334.17618	2.6
444.20068	0.6
470.22842	22.2
488.23911	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	488.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11752	0.2
56.88428	0.3
58.06598	0.9
59.38930	0.3
70.06577	0.5
72.08155	0.4
82.28799	0.2
85.02895	2.8
92.18381	0.4
97.02869	0.6
97.16184	0.2
98.04824	0.3
98.94228	0.2
101.30700	0.2
109.23439	0.2
120.86119	0.2
127.03941	0.4
145.04973	1.4
160.07578	34.4
161.08351	0.5
161.64586	0.3
163.05980	0.3
170.09593	1.9
174.09154	1.4
186.09149	100.0
187.09923	29.0
202.11003	1.1
203.11772	0.6
217.13385	5.5
218.14156	15.7
218.16237	0.6
219.26634	0.3
322.41135	0.3
488.20615	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.2
55.01880	0.3
57.03432	0.2
57.06827	0.2
57.07089	4.9
65.03920	0.2
69.03440	1.1
69.07079	0.2
70.06579	0.2
71.05013	0.2
72.08132	0.1
73.02917	0.3
81.03424	1.3
81.07090	0.2
83.25729	0.1
85.02916	3.2
85.06535	0.3
87.00848	1.2
91.03935	0.2
95.08576	0.2
97.02880	1.5
97.06535	1.2
99.03864	0.2
99.04455	1.1
105.01884	1.0
105.07057	0.2
107.08599	0.2
108.04488	0.6
109.02885	2.1
109.10126	0.2
121.02854	0.2
121.10136	0.2
127.03927	2.7
144.08038	0.7
145.04942	0.6
149.02348	100.0
151.11128	0.2
159.02887	1.2
161.13313	0.2
167.03400	4.5
170.09698	1.8
171.10107	0.6
202.14490	0.2
205.08582	1.2
205.15800	0.2
221.19090	0.2
223.09654	28.7
240.20329	0.2
266.08807	0.2
275.09418	0.2
348.37344	0.2
427.87515	0.2
428.26123	0.1
488.21432	0.3
488.27994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51495	0.1
50.97843	0.1
53.03936	0.2
53.68843	0.1
55.01874	0.2
57.07098	1.3
69.03449	1.0
69.07077	0.2
71.04988	0.2
73.02922	0.1
73.23016	0.1
81.03409	1.0
81.67889	0.1
85.02907	2.8
86.09706	0.2
87.00838	0.8
89.06387	0.1
91.03913	0.2
97.02909	1.4
97.06533	0.2
99.04445	0.6
100.11270	2.9
101.11588	0.6
105.01859	0.7
105.07092	0.1
108.04487	0.3
109.02923	1.3
121.02907	0.3
126.05524	0.2
126.43745	0.1
127.03934	1.6
128.55508	0.2
129.01849	0.2
144.08109	0.3
145.04961	0.6
149.02356	100.0
153.44049	0.1
155.15784	0.1
159.02896	1.2
167.03403	0.7
170.09695	1.5
171.10110	0.6
177.21252	0.1
202.14711	0.2
205.08632	2.6
218.54488	0.2
223.09666	25.4
231.05122	0.2
248.07666	0.2
342.38736	0.2
388.46921	0.2
389.22589	0.3
406.44043	0.2
488.26678	0.8
488.33804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73517	0.2
60.38220	0.3
70.06573	1.2
70.97433	0.3
72.08128	1.5
85.02906	1.0
86.09700	2.2
86.54507	0.3
88.02177	0.6
105.07024	3.9
114.31976	0.3
114.85695	0.3
116.05278	1.9
116.07040	1.1
122.09691	2.5
129.05484	0.4
140.01636	0.4
141.01903	0.4
152.61938	0.4
154.08969	0.3
155.11760	0.4
165.00040	1.3
187.69008	0.3
197.97931	0.5
207.57678	0.4
208.98936	0.5
224.96724	0.5
281.05466	0.7
298.01941	2.8
316.46170	0.3
326.05145	100.0
373.16760	0.4
468.53458	0.3
488.10437	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3607
Annotation	Lys Ile Val Lys
Peak:m/z	Relative Intensity
55.92981	0.2
70.96304	0.2
75.88792	0.2
77.12361	0.2
159.88057	0.2
204.79315	0.2
456.51593	0.3
487.36057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45394	0.3
68.48504	0.3
70.06573	0.4
70.51088	0.3
72.08111	0.4
73.02955	0.3
76.90747	0.3
84.05595	1.7
85.02849	1.6
86.09682	0.5
88.02170	1.3
92.17904	0.4
93.07018	0.4
97.02835	0.3
116.05273	2.1
120.04430	0.5
145.04948	0.3
145.36992	0.3
148.69496	0.4
159.22392	0.4
163.03816	0.3
165.00005	1.7
197.97906	0.4
217.64778	0.3
222.12431	0.5
224.96690	0.4
240.13438	1.4
241.07076	0.6
254.02994	0.4
269.26181	0.4
281.05383	1.3
291.10873	0.4
298.02036	3.4
298.09360	1.3
299.51129	0.4
326.05151	100.0
336.10864	0.3
341.13617	4.3
348.85217	0.3
444.19635	1.4
488.10480	78.8
488.18286	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	487.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.4
58.06609	1.5
58.48035	0.3
61.66840	0.3
65.83458	0.4
67.05499	0.7
69.03436	0.7
69.07075	6.1
70.06611	1.5
71.04981	0.6
71.07388	0.6
72.08162	2.3
81.03394	0.5
81.07053	3.1
84.08137	1.7
85.02901	2.4
85.06544	1.8
86.09707	11.1
87.00850	0.8
88.82355	0.4
91.05402	0.4
93.07051	0.5
95.08630	3.5
97.02863	0.5
97.06535	2.0
100.11263	100.0
105.01888	0.8
105.07022	2.1
107.08611	1.0
109.02852	0.9
109.10164	2.4
114.09251	0.4
114.10294	2.1
119.08594	2.2
121.10150	2.0
126.09203	0.4
127.03927	2.1
133.10139	1.0
134.05986	0.6
135.11707	0.9
136.07611	0.5
144.08105	2.6
145.05045	0.4
145.10167	0.6
147.11734	2.4
149.13242	0.5
155.69673	0.4
159.11731	0.6
161.13295	0.6
163.14883	0.5
168.17488	0.9
170.09685	8.7
171.10434	2.2
175.14839	0.5
202.12328	2.1
202.14561	1.4
203.17992	2.7
204.18457	0.9
218.15997	0.4
221.19058	0.7
239.17569	2.2
239.20082	2.5
242.17456	4.0
259.29443	0.4
275.13742	0.8
283.12802	0.5
287.10818	0.5
288.10550	0.8
306.11835	1.0
314.08710	0.9
339.16000	0.6
343.09247	0.4
352.25864	3.8
374.24417	0.7
388.22302	13.6
451.17035	0.5
456.28912	1.0
459.33408	1.6
469.17825	0.6
469.32153	0.5
487.18643	0.5
487.27350	4.8
487.33615	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	487.3278
Annotation	Discarine F
Peak:m/z	Relative Intensity
52.56833	0.2
53.23950	0.2
58.06600	1.4
63.96490	0.2
68.10570	0.3
69.07072	3.6
71.07377	0.6
75.12378	0.3
86.09709	10.9
94.96097	0.3
100.11256	100.0
134.06000	0.3
136.07544	0.4
140.07077	0.5
144.08098	0.3
145.13373	0.6
168.17479	1.5
168.51321	0.3
170.09662	2.1
171.10394	0.4
202.12349	2.2
239.17574	2.6
272.30023	0.3
310.20581	0.3
352.25934	3.2
374.24484	0.6
388.22275	13.2
388.27109	0.5
456.28589	1.4
459.33295	1.7
487.26917	1.0
487.32782	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36422	0.5
52.71646	0.6
52.74626	0.6
53.00301	0.5
53.03967	0.5
55.05508	1.0
55.63128	0.6
56.55734	0.5
57.03450	1.3
59.24991	0.6
60.05637	0.9
61.02933	0.7
67.05491	0.6
68.47242	0.6
69.03436	3.1
70.06567	1.5
71.05001	0.8
71.08099	0.5
71.95683	0.6
72.08162	8.6
73.02914	0.7
73.43925	0.6
73.78181	0.6
79.05486	1.4
81.03419	1.3
81.07076	1.1
84.04477	0.9
84.08160	3.3
84.81783	0.6
85.02911	18.3
87.04466	2.3
91.03961	1.1
91.05491	2.3
93.07052	15.5
95.04981	1.1
97.02917	5.7
99.04460	1.4
105.81863	0.7
107.08606	12.8
109.02866	1.2
113.10777	27.5
114.08373	1.5
114.09175	45.7
114.10265	2.0
115.08693	10.6
126.12759	0.9
127.03929	5.9
129.16002	0.6
131.11835	6.6
135.11723	2.7
144.08014	1.0
145.04971	4.5
156.11331	31.4
163.03920	14.8
163.06013	1.4
164.04263	5.9
164.75575	0.7
170.09628	3.3
173.13992	41.1
220.09712	13.5
221.10069	11.2
250.14447	1.1
251.14642	3.4
264.31885	0.7
308.20557	2.2
324.23169	1.1
325.23068	3.2
412.30783	0.9
463.89017	0.8
487.26251	16.7
487.31311	100.0
506.26456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54820	0.9
57.07088	47.6
59.99173	0.9
107.83105	1.1
113.54926	1.1
166.67371	1.3
170.09683	6.4
184.52368	1.1
185.02771	1.3
263.04691	100.0
319.10938	80.7
375.17206	68.3
375.22137	1.3
431.23517	69.8
487.29849	36.4
487.36258	2.2
503.82187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45103	0.4
53.86233	0.5
58.47349	0.4
58.99104	0.5
59.15055	0.5
59.87551	0.5
64.43169	0.5
69.03428	1.2
70.06602	0.8
81.03412	0.6
85.02901	2.1
97.02892	0.7
99.04432	0.7
107.08601	3.0
109.02843	1.2
112.29954	0.5
119.08606	1.0
127.03956	1.8
135.08063	12.1
137.09630	2.5
139.11250	0.5
144.08089	25.9
145.04970	0.6
145.10112	1.2
158.09642	0.9
163.07567	2.9
170.09642	100.0
171.10416	26.4
201.13899	6.4
202.14656	18.5
213.84991	0.7
221.15347	0.8
239.16483	3.7
253.70432	0.6
297.07300	0.6
487.29169	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.2
57.03428	4.7
57.07051	4.5
59.74744	3.6
59.90770	3.7
61.02920	4.9
67.05511	69.5
69.07072	9.0
79.05512	73.5
81.07066	84.7
83.08620	4.9
85.06540	6.1
89.14242	4.4
91.05490	23.5
93.07048	92.3
95.04966	6.8
95.08608	85.6
95.37916	5.0
99.08123	8.2
105.07043	32.5
107.08598	64.1
109.10155	40.1
117.06977	18.6
119.01476	4.8
119.08597	29.0
121.10151	82.7
123.11712	22.8
125.09673	5.5
126.61894	4.5
130.33562	4.6
131.08575	51.2
133.10143	46.1
135.11700	87.7
145.10144	51.1
147.11662	33.4
149.09560	4.6
149.13213	44.5
151.11241	6.8
159.11682	38.5
170.09677	23.2
173.13281	26.3
187.14864	9.2
188.40916	4.3
205.19519	10.5
215.17947	94.9
233.18990	100.0
307.22607	7.4
325.23740	46.9
464.85818	4.9
469.28113	20.7
487.26608	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97877	2.3
55.05517	13.1
57.03444	11.9
57.07082	5.2
61.02909	5.9
67.05513	87.6
69.07056	16.3
70.21438	2.4
71.05000	4.1
72.46265	3.0
79.05067	4.3
79.05499	69.2
79.92850	2.9
81.06602	4.2
81.07065	98.0
83.08602	12.3
85.02899	5.6
85.06557	3.4
91.05476	29.9
93.07046	89.1
95.04936	4.3
95.08609	77.8
97.02895	4.6
97.06524	3.5
97.10234	3.2
99.08104	6.4
102.14452	3.1
102.74200	3.3
105.07029	25.0
107.08596	60.4
109.06551	3.3
109.10168	49.1
110.06364	3.0
111.08042	4.0
117.07024	13.6
119.08569	36.8
121.10150	72.7
123.08131	4.1
123.11700	29.9
126.58976	2.9
131.08582	35.4
133.10168	33.2
135.08061	4.0
135.11690	72.8
135.12622	4.8
137.09573	4.7
137.13240	7.2
145.10146	39.7
145.21667	3.4
146.91634	3.3
147.11711	26.3
149.09642	6.2
149.13275	43.6
159.11702	37.8
161.13245	5.1
170.09708	3.5
173.13284	33.6
177.12712	5.1
187.14769	6.4
205.19568	4.3
215.17958	79.6
215.19844	5.7
233.19005	100.0
307.22717	32.3
325.23700	53.1
469.27899	26.2
487.27109	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	487.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
84.09047	1.4
98.06004	1.8
144.06958	3.0
144.08090	72.3
145.08879	1.7
170.09644	94.2
171.10432	17.2
187.12267	5.7
188.13120	11.4
195.60747	1.8
201.13774	2.7
202.14679	6.2
224.10735	2.6
308.45691	1.6
443.66223	1.6
487.27023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57050	0.3
56.83099	0.3
58.06601	0.8
58.42086	0.4
69.03135	0.4
80.13749	0.3
82.57868	0.4
90.64413	0.4
95.12608	0.5
111.21189	0.4
123.89442	0.6
144.08087	28.4
145.08841	0.9
158.09631	1.8
170.09644	100.0
171.10422	22.4
187.12259	0.7
201.13857	5.3
202.14662	14.3
406.51724	0.5
487.27032	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	487.2706
Annotation	Withametelin J
Peak:m/z	Relative Intensity
65.12885	0.5
67.60678	0.5
68.55312	0.5
70.25011	0.5
78.49867	0.5
144.08093	26.3
145.08873	0.9
158.09639	2.2
170.09648	100.0
171.10429	19.3
187.12326	0.6
198.87602	0.6
201.13916	6.9
202.14632	15.3
208.44978	0.6
262.78592	0.5
293.17709	0.6
303.08350	0.5
487.27057	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.6
55.01871	4.6
55.05513	5.2
57.07083	3.9
57.83513	2.0
61.02943	3.1
66.81898	2.3
67.05511	15.8
68.01900	2.1
69.03435	22.4
69.07071	12.2
71.04993	5.5
72.08190	2.2
72.40297	2.4
73.02901	3.8
79.05530	2.6
81.03428	23.8
81.07068	22.3
83.08613	9.9
85.02419	2.9
85.02914	58.6
85.06062	4.0
85.06551	100.0
86.09656	2.6
87.00848	21.3
93.07048	13.5
95.08616	47.6
97.02899	18.6
97.06523	4.8
97.10154	2.3
99.04449	9.8
99.08100	8.7
105.01875	18.4
105.07035	9.9
107.08610	26.9
109.02882	24.3
109.10172	28.5
111.08095	9.8
112.14086	2.3
113.09586	3.3
119.08586	17.2
121.10142	34.0
123.11718	10.2
125.09621	4.0
127.03924	40.5
127.11202	11.2
129.01849	9.0
133.10146	13.6
135.11697	4.5
137.13271	3.1
139.11159	4.3
145.05020	4.2
145.10188	3.5
147.11671	19.1
149.13300	4.6
153.12814	2.5
159.02950	19.1
159.11725	2.9
161.13237	4.8
163.14824	14.2
165.12726	3.5
175.14787	3.8
177.16370	5.0
193.12375	2.3
203.18033	22.2
219.05257	2.5
221.18967	27.6
231.04822	4.2
239.16525	3.4
239.20070	40.7
487.25357	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	487.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63556	0.2
61.02924	0.4
68.97953	0.2
69.03427	0.5
70.06590	0.5
71.04962	0.2
72.08163	1.5
75.75687	0.2
77.08166	0.2
83.60175	0.2
84.08144	0.2
85.02906	4.3
89.03915	0.5
91.03963	0.4
97.02911	1.6
99.04437	0.2
100.87526	0.2
109.02926	0.3
113.10737	1.2
114.09159	1.2
115.43230	0.2
117.03373	0.9
127.03916	1.6
128.09898	0.2
128.10692	2.1
131.11830	0.9
135.04419	2.6
143.48039	0.2
145.02861	4.0
145.04939	1.0
145.13347	0.5
163.03900	100.0
171.11172	0.3
222.97180	0.2
234.11266	1.5
275.13974	1.0
293.15106	0.2
343.35263	0.2
396.16327	0.3
423.03168	0.3
437.19150	0.8
455.20239	34.1
469.21912	5.8
487.22839	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	487.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
59.04830	0.5
60.05651	0.6
67.05486	1.6
69.03436	0.6
70.06602	5.1
71.04980	0.6
72.08157	9.3
73.06432	8.7
74.30013	0.4
76.13496	0.4
84.04504	0.8
84.08139	1.1
85.02883	1.8
86.07192	6.0
86.09708	0.8
87.07990	5.9
89.10772	0.5
90.71488	0.4
95.08631	0.5
95.88404	0.5
97.02892	0.9
97.07651	0.9
98.06052	1.0
100.08749	17.5
104.07129	0.5
106.39163	0.4
109.02912	0.6
109.10148	3.0
110.10476	1.8
112.08706	2.0
113.08386	1.7
114.10299	11.5
115.08679	3.2
121.02841	1.8
123.04411	0.5
126.05526	0.8
127.03928	0.7
129.10229	0.6
130.12115	2.0
131.12921	0.8
137.05902	0.5
138.05518	0.5
145.02855	0.7
147.04410	1.0
163.03900	5.1
167.06938	0.6
170.09682	0.6
172.13176	7.2
177.05392	0.6
178.04933	0.8
179.03398	4.4
179.20294	0.5
184.39001	0.5
191.08167	1.0
193.04918	0.7
193.14233	0.5
200.18361	0.4
204.10081	0.5
220.09700	0.8
222.11255	0.6
234.11272	0.9
246.09830	0.5
249.12393	4.6
250.10709	8.4
253.08600	1.0
264.14679	2.8
265.12961	0.8
267.13327	0.5
275.10333	0.8
282.15845	0.9
290.12552	4.7
291.14746	0.5
292.12918	8.9
297.07529	0.4
309.15564	77.6
323.17139	3.1
324.17920	100.0
425.21310	0.6
464.08423	0.5
469.21411	0.6
487.21970	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	487.2079
Annotation	Pauciflorine B
Peak:m/z	Relative Intensity
52.19640	0.3
54.74791	0.3
55.04190	0.3
58.06596	0.8
66.21043	0.3
79.69492	0.3
84.88953	0.3
85.02890	0.4
90.87467	0.3
97.02855	0.3
131.35779	0.3
144.08093	29.9
145.08882	0.7
158.09616	1.3
170.09647	100.0
171.10429	24.5
187.12288	0.6
201.13876	5.3
202.14651	15.8
247.39650	0.4
487.20749	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	487.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68079	0.8
55.01863	1.3
57.03441	0.9
63.98433	0.7
69.03445	11.2
70.06590	6.8
71.04988	5.4
79.47963	0.9
81.03432	19.3
84.04501	1.1
84.08157	1.6
85.02905	6.0
86.09711	1.3
95.04943	0.9
96.04481	4.4
97.02871	1.7
99.04473	6.6
105.82375	0.9
112.02173	9.1
117.05484	1.4
127.03923	1.6
127.07556	1.7
140.01665	32.1
163.03906	18.1
168.01158	6.1
169.04324	3.9
175.08708	5.8
191.08162	100.0
199.10811	1.1
209.65791	1.1
215.04860	6.0
220.06345	1.1
227.10194	1.2
233.09149	1.9
243.04366	18.6
289.11920	1.0
307.12979	20.4
325.13950	84.1
384.07037	1.2
428.34158	1.1
487.24124	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91444	0.5
58.81675	0.5
69.03428	1.7
72.93784	0.7
85.02914	13.8
97.02914	2.5
98.75480	0.7
107.08533	1.1
109.02867	0.9
114.94836	3.8
119.38541	0.6
121.10138	1.6
127.03899	4.0
132.95845	47.2
144.95840	11.8
145.04976	4.9
150.96909	8.7
156.95781	0.9
162.96898	4.6
163.06009	2.5
167.06969	0.8
170.09602	1.6
174.96892	100.0
177.03650	3.4
186.96857	5.3
192.97929	6.0
192.99525	1.3
198.96899	3.3
200.94823	23.9
215.99751	0.9
216.97987	5.0
218.95827	5.4
221.02545	0.9
230.95821	1.6
234.99026	3.4
237.05721	13.2
239.03543	2.4
241.05238	3.0
242.95950	5.4
249.05698	1.6
253.01576	4.4
260.96942	29.3
278.97900	6.2
281.04770	8.7
284.95547	0.8
299.05872	2.6
301.99606	0.8
320.98999	11.1
323.05576	1.1
339.00061	1.4
341.06741	3.5
367.04681	6.5
375.23712	0.7
397.06110	0.7
401.09076	1.1
427.06842	2.8
487.09811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67315	0.4
62.06094	0.5
67.84032	0.4
72.08145	1.0
84.04508	0.7
84.05619	0.8
85.02885	0.6
105.03942	0.4
105.07008	0.7
110.06001	0.5
115.08689	0.6
121.06511	0.5
127.08656	5.7
128.07083	10.7
145.09752	1.9
147.04504	0.6
160.07533	0.6
162.03012	0.4
167.07054	1.1
170.09602	3.2
173.02301	1.9
173.09221	18.8
174.07503	0.5
177.05437	1.0
181.04947	0.8
188.04712	2.8
193.04994	1.0
194.05708	0.7
201.05424	0.8
205.04910	4.5
206.05794	5.9
207.06544	5.8
221.04453	1.1
224.14003	0.6
225.07747	0.6
237.07466	1.6
238.08403	3.4
269.08051	11.5
271.81985	0.5
273.07571	4.3
279.06485	1.0
282.05237	2.2
287.09143	34.8
297.07581	100.0
301.06967	2.8
324.06223	0.6
335.05142	0.5
339.08685	1.0
340.11746	0.6
367.08078	8.6
399.10776	7.5
433.63977	0.6
469.16104	4.2
470.18060	0.5
487.16495	5.3
487.21063	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	486.3091
Annotation	Novamethymycin
Peak:m/z	Relative Intensity
60.77646	0.9
72.04507	1.3
72.08165	6.3
79.05514	6.6
81.07057	1.4
88.58087	1.0
93.07046	19.6
97.94765	0.9
98.06075	0.9
105.07041	1.1
107.08580	7.7
110.04308	0.8
113.10775	20.8
114.09172	56.8
114.10342	1.5
115.08691	7.5
120.08131	7.3
121.10139	24.1
123.23692	0.9
124.65684	0.9
131.08533	1.1
131.11812	12.6
144.08122	11.9
146.69844	1.0
149.09604	3.4
156.11328	25.3
160.75465	0.9
170.09656	43.5
171.10422	9.3
171.86440	0.9
173.13976	22.9
183.08160	1.1
201.14011	3.0
202.14693	3.8
219.51077	0.9
229.16154	1.0
339.23938	4.5
372.93347	1.1
444.79285	0.9
486.21588	33.4
486.30707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01396	0.3
52.62447	0.3
56.34806	0.4
56.45825	0.3
58.06587	0.8
60.29821	0.3
63.02065	0.3
64.59736	0.3
65.78882	0.4
70.06572	0.8
70.07121	0.3
72.08160	9.4
74.08680	0.4
83.97205	0.3
84.08157	2.7
86.17368	0.4
93.83177	0.4
99.87216	0.4
100.07623	0.8
112.11249	6.3
117.03377	1.6
123.04350	0.4
129.13869	2.6
135.04431	1.8
135.57253	0.3
137.05974	6.0
145.02840	6.8
155.11806	1.6
156.37193	0.4
163.03902	73.8
168.48595	0.3
177.05481	8.5
179.07007	3.2
220.09689	74.8
234.11224	4.0
236.12775	2.1
250.14389	10.6
257.07947	0.4
267.17114	2.0
291.17197	0.4
293.18515	1.2
307.20145	11.9
310.21365	1.7
324.22815	13.6
325.50058	0.4
468.24985	1.9
469.23300	0.8
486.26022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43852	0.1
54.59370	0.2
70.06593	0.8
72.08157	0.2
72.20364	0.2
79.05508	1.2
85.02916	0.3
87.04416	0.2
95.05002	0.3
103.05493	0.8
104.07122	0.8
105.07037	100.0
122.09670	66.6
130.03445	0.2
142.09235	0.2
143.62576	0.2
223.45770	0.2
289.37408	0.2
296.04291	0.3
315.97513	0.2
486.16101	0.3
486.22302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49253	0.5
55.01873	0.9
58.06603	4.8
68.67598	0.6
70.06601	6.5
71.57576	0.5
72.08164	22.1
74.64331	0.6
84.04494	1.0
84.08144	15.4
98.06052	1.4
98.09699	0.6
110.09701	1.2
111.09229	1.2
112.07602	1.1
112.11247	42.1
113.07121	7.0
114.09189	1.2
120.08112	2.5
126.09167	7.4
129.13890	13.5
142.77597	0.7
155.11801	25.6
163.03897	0.8
166.08601	1.1
172.14468	3.2
181.64397	0.7
183.14941	3.9
200.17563	7.6
219.91489	0.6
223.16331	0.6
226.15442	0.8
241.04961	1.1
255.06483	8.3
269.04456	31.5
279.06516	2.3
280.06171	0.9
281.04510	1.4
281.08344	0.7
282.07614	0.7
295.06073	3.6
297.07593	3.5
322.07172	3.0
323.05496	10.7
324.08673	0.8
326.10236	11.4
350.14047	0.7
354.13440	0.7
362.09933	1.2
379.13016	3.2
380.11127	6.3
394.12781	3.2
397.13849	3.6
450.20645	2.1
451.18726	3.7
468.21259	34.3
475.54211	0.7
486.22369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2129
Annotation	(-)-Fumiquinazoline H
Peak:m/z	Relative Intensity
60.43425	0.5
62.30801	0.5
63.84373	0.5
92.17892	1.1
94.22028	0.6
94.89808	0.6
98.61768	0.6
99.88799	0.7
105.07044	1.0
106.82794	0.6
114.09161	0.6
133.02861	3.0
133.06532	0.9
145.02896	0.8
145.06458	0.7
146.03638	1.2
147.04448	0.8
149.05968	6.1
157.06595	0.6
161.05991	14.5
162.06732	12.9
163.03899	3.4
177.05472	100.0
190.06238	2.5
205.05014	7.2
206.05751	19.5
207.06519	30.6
261.52496	0.7
268.93790	0.7
352.09418	1.5
367.11777	38.0
385.12659	1.0
427.13879	55.2
434.22369	0.6
486.21198	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	486.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
61.02911	1.3
69.03425	6.7
70.06589	5.8
72.08157	4.6
73.02912	1.9
81.03423	2.4
85.02913	49.0
85.03423	1.9
86.09718	2.0
88.04031	1.0
91.03950	2.2
97.02893	14.1
99.04456	2.3
109.02901	4.9
109.10250	1.1
118.88619	1.1
127.03949	11.6
132.01077	1.2
136.29279	1.0
143.07315	5.3
144.08102	100.0
145.04987	9.3
156.08011	2.2
158.09674	18.5
160.07533	2.8
162.09145	67.5
163.03906	13.9
163.06064	4.4
168.08104	2.4
174.09125	4.9
184.07486	2.1
186.09143	36.1
189.69850	1.2
204.10213	32.2
210.69687	1.3
220.09703	12.3
228.10219	1.3
270.11298	1.3
288.12396	7.8
289.09088	1.1
306.13419	14.1
324.14362	8.9
329.10254	1.2
422.44949	1.2
468.19174	1.9
486.26382	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	485.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.8
57.03428	3.3
57.42199	1.8
59.04987	1.9
67.05503	3.2
69.07073	3.2
70.06594	4.0
72.08180	3.0
74.28024	1.8
81.07065	12.6
87.00834	5.0
91.05423	2.3
93.07039	3.9
95.08607	14.2
105.07063	3.5
107.08589	12.3
109.06544	4.4
109.10148	9.6
111.08128	3.2
119.08632	7.1
121.10135	9.5
123.11741	3.8
133.10155	9.9
135.11708	2.5
137.05995	2.7
143.08510	2.5
144.08063	28.0
145.10112	2.7
146.57956	2.0
147.11674	4.7
149.13266	2.5
157.10114	4.5
159.11726	3.0
160.07594	14.3
161.13309	4.2
170.09651	100.0
170.11075	3.9
171.10422	21.3
171.11742	10.0
171.75555	2.2
173.13280	7.7
183.11795	2.1
186.09151	13.7
187.14798	3.1
197.13281	3.5
201.13976	4.9
202.14680	14.1
204.12552	4.1
211.14763	2.4
219.13841	2.1
253.19572	2.4
305.07904	2.7
307.26236	9.9
311.23572	4.6
337.10559	5.1
431.29428	3.0
449.30396	16.2
467.24045	2.3
467.31625	16.0
485.25650	80.3
485.32706	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2879
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
53.53206	0.8
55.05518	1.8
57.03444	6.7
57.07085	29.8
63.16436	0.8
67.04388	1.0
67.05504	5.0
69.07070	5.4
71.08636	22.7
81.07056	9.2
83.05006	0.9
83.08620	7.9
85.10186	15.7
86.44734	1.0
89.06041	0.9
95.08598	14.7
96.80840	0.8
97.10168	4.0
98.98507	4.7
103.07610	1.1
106.11535	0.9
109.10172	9.4
120.09254	1.1
120.24234	0.9
123.11725	1.5
142.17162	1.0
155.01010	2.4
163.83868	0.9
240.11549	1.0
284.31180	1.0
313.27368	100.0
360.44861	1.0
383.25143	1.1
449.26883	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	485.3271
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
51.81777	3.2
55.05522	6.4
57.03432	5.7
59.45893	3.5
67.05511	17.5
69.07065	22.4
69.56217	3.6
69.77165	3.7
70.06590	4.6
72.08136	7.3
79.05508	10.4
81.07064	43.3
83.04987	8.8
87.01223	4.2
91.12428	4.0
93.07050	45.3
95.08610	67.2
97.06526	7.1
100.07641	5.0
105.07053	40.4
107.08588	60.1
109.06545	9.1
109.10170	57.6
111.04431	26.5
111.08098	17.2
117.06990	6.5
119.08576	36.7
121.06498	9.2
121.10127	55.1
123.08097	5.4
123.11687	24.2
127.11184	26.2
131.08569	27.8
133.10141	39.7
135.08067	19.1
135.11685	25.7
137.05989	6.9
137.09607	16.3
143.08591	28.4
145.10152	50.6
147.08015	6.7
147.11707	42.6
149.09627	10.0
149.13298	8.2
155.10727	6.1
157.10069	39.2
159.08083	5.9
159.11684	71.5
161.09630	7.0
161.13283	43.0
169.10083	16.5
171.11691	31.2
173.13249	43.2
175.11243	7.1
175.14850	25.5
177.09145	7.1
183.11652	32.2
185.13226	32.6
186.09105	7.3
187.11220	7.5
187.14810	10.6
189.12788	8.3
195.11696	9.4
197.13248	28.5
199.11171	7.2
199.14793	22.9
201.12810	8.5
201.16415	10.0
203.14369	8.1
207.11731	6.3
209.13228	8.9
211.11317	4.6
211.14848	17.7
213.12845	5.6
213.16431	8.4
215.14439	4.9
219.13747	4.2
223.14790	16.7
225.12778	8.6
225.16425	17.5
227.14386	5.8
229.15932	6.9
231.17380	4.6
235.14781	8.0
237.16504	10.7
239.17970	6.6
241.15944	5.0
249.20372	4.6
251.17940	9.6
253.12340	6.5
253.19577	5.8
255.17445	5.5
259.16940	5.4
269.18964	5.2
279.20847	5.4
293.22757	4.6
295.20642	7.0
309.22073	8.8
311.23578	9.2
313.21591	7.5
323.19962	10.6
327.23218	6.9
329.24677	9.5
341.21112	30.9
347.26102	5.4
359.22205	52.2
419.29343	22.8
421.31030	6.0
431.29367	32.6
437.30670	7.8
449.30518	68.1
467.31595	68.4
485.26224	9.3
485.32782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
57.41035	0.4
57.88807	0.5
58.06593	0.6
64.55991	0.4
67.05493	0.6
69.07049	0.5
72.08115	0.5
77.75088	0.4
79.05467	0.5
81.07048	1.8
93.07008	1.9
95.08579	2.7
97.82364	0.4
105.07018	1.9
107.08600	1.0
108.47617	0.4
109.10119	2.4
111.08087	0.5
119.08541	1.0
121.10128	2.1
123.08045	0.5
123.11671	0.5
131.08557	0.6
133.10083	1.9
135.08080	0.5
135.11679	0.6
137.09572	0.6
143.08504	0.6
144.08093	27.5
145.08856	0.8
145.10101	2.2
147.11661	2.1
154.16078	0.4
157.10101	2.1
157.32159	0.4
158.09628	1.8
159.11717	1.8
160.07582	2.8
161.13185	0.6
170.09645	100.0
171.10428	21.4
171.11798	1.1
173.13274	0.9
174.03178	0.6
183.11685	1.0
185.13254	1.8
186.09126	2.2
186.11327	0.5
187.12364	0.5
187.14815	0.5
197.13301	0.9
199.14784	0.8
201.13995	4.9
202.12762	0.5
202.14636	12.9
204.12587	1.1
211.14827	1.9
229.15836	0.8
245.15331	0.6
323.06564	0.4
403.10257	0.4
419.29459	0.6
431.29367	1.6
449.30588	3.9
467.31647	3.1
485.25537	56.1
485.32300	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	485.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01877	1.9
55.05513	2.6
55.32408	1.5
57.03426	1.2
61.02962	2.0
63.03988	1.2
67.05516	2.9
67.97490	1.3
69.03445	14.5
69.07076	2.5
70.06599	71.9
71.04994	2.6
71.06926	11.8
72.08161	8.4
73.02895	2.8
78.06332	1.3
79.05488	1.9
81.03435	14.1
81.07061	6.4
83.04991	7.7
84.08150	3.2
85.02905	15.3
85.06535	1.9
86.09707	1.9
87.00826	7.6
88.24049	1.2
88.62300	1.3
91.05497	5.8
92.57769	1.4
93.07048	8.9
93.57130	1.4
95.04951	1.8
95.08593	3.5
97.02883	7.2
99.04449	5.7
105.01878	6.8
105.07042	11.2
107.08616	15.2
109.02887	13.8
109.10173	8.9
110.06118	1.9
110.10479	1.9
111.08013	2.0
114.10281	3.2
117.07007	6.2
119.08584	13.6
121.06496	2.0
121.10124	18.2
123.04418	2.0
127.03928	20.9
128.07098	3.2
129.01869	2.5
130.08633	12.8
131.08537	37.7
133.10159	12.9
135.08080	2.9
135.11723	10.2
136.12056	3.0
137.09651	3.2
143.08488	3.6
144.09340	9.3
145.02783	2.3
145.04996	3.6
145.06465	2.3
145.10101	15.8
147.11711	5.9
149.09634	14.2
149.13223	2.5
151.14868	1.5
157.10121	2.7
158.10898	13.0
159.02917	6.8
159.08084	12.8
159.11690	22.6
161.09610	12.2
163.03906	21.7
163.14771	6.4
164.04230	1.7
168.09314	2.3
170.09557	2.6
171.11752	2.4
173.09601	6.6
173.13260	39.6
175.11237	3.0
175.14818	1.5
177.12755	7.7
183.11696	2.7
189.12813	6.4
191.14308	25.6
201.12703	19.6
201.16393	3.3
219.13817	100.0
219.17296	3.1
220.09756	3.1
237.14761	12.7
237.18518	2.1
256.12006	1.9
270.45264	1.6
275.13171	2.3
316.13742	1.6
323.05554	6.4
453.24915	1.7
485.20346	28.4
485.29376	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06361	4.0
51.87907	2.8
52.36908	3.1
52.76665	2.7
55.01873	3.6
57.03421	3.3
69.03417	20.7
69.07073	3.3
70.06582	31.2
72.08147	7.4
73.47791	3.6
81.03413	7.4
81.07082	3.6
82.52556	3.7
83.04911	4.1
84.08145	6.3
85.02892	17.0
91.05437	4.3
93.07044	5.5
94.86356	3.3
97.02924	4.3
99.04444	5.0
105.07020	8.6
107.08568	7.3
109.02876	8.1
109.10184	7.7
113.00655	3.6
117.07055	3.9
119.08582	7.8
121.10132	7.1
127.03922	19.3
131.08571	25.3
133.10117	6.0
135.08069	13.5
143.08553	4.7
144.09332	4.3
145.10106	7.2
149.09610	5.2
152.13327	3.7
158.10989	5.2
159.03011	5.5
159.08102	6.0
159.11649	18.6
161.09604	6.3
163.03925	14.5
163.07500	6.4
170.09679	13.6
173.13234	20.9
177.12759	16.7
189.12744	15.2
191.14307	16.0
201.12746	8.8
201.16423	4.3
207.13791	100.0
219.13774	64.6
237.14848	53.3
250.77014	4.0
255.91739	3.4
276.37830	3.8
279.00134	4.0
485.20480	17.9
485.29352	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42999	1.6
58.94532	1.4
79.05487	2.6
81.07072	2.1
81.73495	1.8
88.03241	1.8
91.05444	1.8
97.06545	14.7
98.06097	1.7
105.07041	21.0
109.06488	2.0
115.05447	1.9
118.18627	1.8
119.04909	2.7
133.06516	40.2
134.46725	1.7
137.05986	28.5
147.04420	13.9
149.05966	2.5
151.07510	1.8
152.96426	2.1
160.07626	6.4
161.05984	100.0
166.95090	1.6
167.07057	44.4
179.07014	3.8
186.09175	18.5
187.09947	7.8
191.07091	6.4
193.08647	37.1
199.20105	2.2
211.09691	1.8
215.06729	5.9
218.14113	2.9
233.07796	17.9
331.13635	2.1
335.45996	1.7
353.45874	1.7
425.15781	21.1
485.17850	47.6
485.27866	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61937	1.1
105.07037	17.5
115.05466	2.0
119.04936	4.9
133.06499	37.2
137.05969	31.6
147.04437	18.6
149.05983	5.4
150.30632	1.1
161.05975	100.0
167.06923	1.5
179.06998	2.1
184.04756	1.8
191.07086	9.1
193.08603	30.0
215.06825	7.9
233.07761	10.2
234.52660	1.2
280.57742	1.3
335.78003	1.3
425.15692	11.1
485.17783	45.4
485.28696	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	484.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	1.6
58.06608	19.9
59.07402	2.9
60.08162	7.9
67.05508	2.2
76.10658	1.6
79.19221	1.7
81.07069	3.8
85.02938	1.7
87.04443	2.0
92.18362	2.6
93.07065	2.0
95.06112	2.1
106.90552	1.8
117.68677	1.8
144.10208	11.6
162.11295	2.0
171.86064	2.0
187.10757	1.9
191.23425	1.8
236.14932	100.0
256.83237	1.7
260.57651	2.0
277.98676	1.9
352.24774	2.2
381.23895	2.1
440.30847	2.1
466.35498	3.9
484.29810	4.5
484.36215	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	2.6
57.07076	16.1
66.72139	2.4
71.08634	16.0
73.06567	3.6
85.10185	16.9
87.04461	3.3
89.05503	4.6
89.06036	100.0
100.14563	2.8
116.05300	3.2
117.50452	2.7
133.08595	37.2
177.11153	11.1
209.18695	2.5
249.37976	3.1
270.58267	2.6
283.17426	3.7
327.20059	35.1
402.93460	2.6
424.87738	2.5
455.29715	2.9
467.35739	51.5
484.25192	3.8
484.38632	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	484.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93187	0.6
55.05511	0.6
56.67374	0.5
57.03444	1.6
58.06609	9.8
59.07376	3.6
60.08161	4.1
63.95528	0.5
67.05504	1.3
69.07062	0.8
75.04472	1.1
79.05496	0.8
81.07053	1.4
83.08612	1.0
85.80325	0.6
87.04463	1.6
91.76948	0.6
95.08582	1.3
104.14028	0.7
105.06988	0.6
109.10191	0.9
135.11754	0.8
137.29601	0.7
144.10179	7.2
162.11258	3.7
218.13908	0.8
236.14925	100.0
338.68115	0.7
356.92407	0.7
432.62515	0.7
466.35275	9.7
484.36349	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
62.17154	0.4
63.41069	0.5
64.47351	0.4
67.05512	0.9
69.03442	2.6
69.07064	0.8
70.06597	100.0
71.05006	1.0
71.06940	0.5
72.08166	2.8
77.50789	0.6
81.03416	0.8
81.07070	2.0
82.06567	0.5
83.05019	1.1
84.08152	1.0
85.02924	2.3
93.07053	2.1
95.04983	0.6
95.08604	3.2
96.65253	0.5
97.02892	0.9
98.06052	0.5
99.04443	0.6
105.01896	0.6
105.07067	1.0
107.08615	2.6
109.02885	3.6
109.06528	1.2
109.10172	12.4
110.06068	2.1
112.07618	3.2
114.10271	0.7
119.08587	3.0
121.10114	1.6
123.04447	2.2
123.08090	1.2
127.03936	4.3
128.07063	4.4
130.08646	24.4
130.09601	1.0
133.10152	3.6
134.10416	0.6
135.11700	7.1
137.09691	3.3
149.13266	0.9
151.11226	0.7
151.14844	2.1
162.05495	0.6
163.03912	4.7
172.09740	0.5
175.14838	4.0
177.05519	0.9
193.15898	3.7
211.17027	2.1
218.16278	0.6
220.09731	0.7
222.11226	0.8
232.11844	1.2
234.11165	0.5
238.10872	0.9
256.11829	3.0
274.12817	6.7
292.14160	1.1
317.11566	0.6
372.03998	0.5
399.15582	0.6
447.46518	0.7
456.08170	0.6
466.98898	0.6
483.75681	0.7
484.22073	5.3
484.29172	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
55.79568	0.4
56.76444	0.3
58.13497	0.4
61.02949	0.5
67.05515	1.0
67.10648	0.5
69.03433	1.1
69.07083	2.9
70.06599	100.0
71.05017	0.9
72.08160	1.2
81.03426	0.8
81.07066	1.0
83.04993	2.0
85.02908	9.0
89.03023	0.5
93.07061	1.1
95.01333	0.5
95.08636	2.9
97.02914	2.5
99.04484	0.5
105.07052	0.9
107.08626	2.9
109.02879	5.3
109.06538	1.0
109.10177	11.0
110.06051	2.0
112.07605	5.5
113.17734	0.5
119.08608	4.2
121.10167	0.9
123.08115	1.1
123.11792	0.7
127.03913	4.9
128.07108	6.2
130.08647	25.1
130.09586	1.0
131.12939	0.5
133.10152	5.7
135.11697	8.3
137.09662	2.2
141.01846	4.1
145.04980	3.4
147.11684	0.7
149.13284	0.6
151.11156	0.9
151.14844	1.9
159.02925	0.9
163.03925	2.3
163.06149	0.6
172.09673	2.2
175.14812	4.5
187.06145	0.9
193.15915	4.0
211.16982	1.1
232.11867	2.3
236.91141	0.5
238.10820	0.8
256.11905	2.3
274.12875	7.6
292.14047	2.2
292.55121	0.6
315.13538	0.8
316.14236	1.1
321.08368	1.1
484.29166	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	13.2
59.91101	1.1
61.82708	0.8
64.03634	1.1
69.35286	1.1
70.06583	2.0
72.07870	1.0
72.08167	16.5
74.32027	1.1
77.33281	1.2
86.23259	1.3
97.89613	1.0
98.06048	4.4
119.08589	2.1
120.16351	1.0
121.20227	1.1
125.35107	1.1
133.10109	2.2
148.03912	1.4
162.09239	1.3
164.03477	1.6
170.51134	1.0
175.14816	2.5
177.01863	4.8
178.02664	1.4
178.04955	2.1
184.07526	1.3
188.12138	1.3
220.16953	2.4
228.06493	1.6
228.42548	1.2
232.09647	1.5
239.09319	1.8
249.12329	4.4
252.10245	4.6
258.07724	5.3
268.13403	3.8
272.16501	1.3
278.11703	1.4
280.09830	2.0
284.05563	10.3
284.12744	10.4
294.11221	4.5
294.14810	2.5
296.12891	5.0
308.16498	1.8
312.12369	2.2
314.14072	1.8
324.19617	2.4
330.20728	1.4
337.16742	1.3
340.11887	4.6
340.19141	2.1
352.19025	17.1
353.19678	1.9
368.18546	2.3
370.19977	5.4
396.17969	22.3
484.28088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
58.06593	1.8
60.08164	0.5
70.06595	3.3
71.65114	0.4
72.08163	13.7
84.05605	0.4
84.08139	1.1
86.09713	3.5
92.17891	0.6
95.06207	0.4
98.06049	1.9
98.09694	0.8
101.07146	3.2
104.10755	8.0
112.11228	0.9
113.07134	10.7
114.09177	0.9
123.04404	0.6
125.00007	1.8
129.13867	0.6
133.02776	0.5
135.04466	0.6
137.06013	0.5
145.02896	1.0
147.04401	0.7
149.05989	2.1
150.06755	0.7
152.59149	0.4
155.11792	54.8
156.54788	0.6
160.97755	0.4
163.03931	0.9
165.05345	0.4
172.14439	11.0
177.05478	12.2
184.07343	9.5
198.12315	0.6
209.16565	0.9
219.09023	0.5
222.11154	0.7
232.09695	5.1
233.10457	3.0
234.11238	19.3
234.13403	0.9
236.12903	0.8
263.13831	0.8
267.12161	0.4
271.09735	2.2
297.07632	0.9
305.18591	0.7
308.19733	2.1
313.10715	1.0
320.19662	0.6
384.18109	1.7
410.15921	0.7
453.34369	3.9
467.22012	1.7
484.24393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.2
58.06616	4.9
62.90104	0.3
66.77280	0.3
69.58899	0.3
70.06583	1.9
72.08162	13.4
75.21933	0.3
81.63929	0.3
84.08150	13.4
98.06063	1.4
98.09635	0.4
105.32145	0.3
110.09660	0.5
112.11247	55.7
113.07137	1.5
115.08686	0.5
129.10104	0.4
129.13881	19.8
129.72932	0.3
137.05992	2.0
146.16429	0.3
151.12415	0.3
155.11792	8.0
156.83345	0.4
172.14450	1.8
218.96719	0.3
232.09709	1.5
235.07594	1.2
249.09158	0.4
251.06973	0.7
260.09286	0.5
263.07022	5.7
269.08139	0.3
271.09686	1.2
277.08798	0.7
279.06564	1.3
280.07278	1.0
283.09558	0.5
293.08118	3.0
294.08878	0.7
295.09570	2.2
297.07544	2.6
310.10840	1.5
311.09229	2.2
313.10843	0.5
321.07544	0.6
338.10220	3.1
339.08694	1.3
368.14987	0.5
382.16461	0.5
395.16080	2.9
396.14258	1.7
410.16052	1.3
413.17120	7.8
456.25137	0.6
466.23453	1.5
467.21848	1.8
484.24454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76598	2.4
61.02916	5.3
69.03422	6.9
69.07075	30.8
73.02917	4.1
85.02906	100.0
86.75401	2.6
91.03959	6.0
95.01346	4.6
97.02878	27.9
103.03963	4.3
109.02868	5.4
111.11740	11.8
113.02328	3.1
121.36154	2.5
127.03905	32.3
141.01839	70.9
144.08069	18.9
145.04965	47.5
145.08447	6.2
155.11844	3.8
159.02876	12.3
163.06056	25.9
170.09671	23.5
171.10101	6.9
188.13005	4.6
208.95099	3.4
273.07990	3.3
321.08237	24.3
349.10052	3.4
352.08823	2.9
353.28311	2.8
390.77902	2.9
456.09433	5.2
484.25089	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90528	0.6
55.01874	1.1
55.05510	3.3
57.03442	3.1
58.32156	0.6
59.11769	0.7
61.02926	4.9
61.61890	0.6
67.05518	1.1
69.03435	8.6
69.07079	22.5
70.06233	1.3
70.06597	28.6
71.01341	1.4
72.08152	1.0
73.02942	5.9
81.03420	1.6
81.07071	1.3
81.24497	0.8
85.02914	100.0
87.04484	0.9
91.03976	7.6
95.01338	11.2
97.02899	28.5
99.04480	4.9
101.02360	0.9
103.03957	4.4
105.06953	1.4
107.08573	1.7
108.08937	0.8
109.02900	8.5
109.10168	6.5
111.11722	6.4
113.02342	3.4
114.09187	1.5
115.03895	1.0
119.08615	1.3
127.03924	31.3
127.04881	1.2
130.08647	5.0
131.03442	1.2
133.10136	3.6
135.11693	3.8
141.01839	81.9
145.04971	44.3
151.11151	0.9
151.14825	0.9
159.02910	13.8
163.06017	23.6
170.09645	1.1
170.64445	0.9
175.14830	1.6
177.04024	1.0
191.84885	0.8
196.91705	0.8
202.70229	0.7
218.15971	1.2
256.11517	0.9
274.12866	1.5
285.06027	1.4
303.07144	2.0
321.08231	18.5
339.09286	4.6
340.91666	0.8
356.11551	1.0
453.20486	0.9
484.29520	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	484.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92302	0.3
55.05521	0.8
55.74380	0.4
58.06615	4.1
58.68239	0.6
70.06596	3.3
70.87800	0.4
72.08162	14.9
84.08144	9.9
86.09667	0.5
86.32581	0.4
89.10777	0.6
89.11864	0.4
98.06052	2.1
98.09698	0.6
99.09235	0.6
100.07616	15.7
110.09686	0.8
112.10491	0.9
112.11248	22.7
115.44422	0.5
119.04945	0.5
124.83927	0.4
129.13864	4.9
135.00720	0.6
140.96251	0.5
147.04407	2.3
155.11819	3.6
163.03894	0.8
166.53654	0.5
170.18898	0.4
203.03432	2.6
230.32149	0.5
239.06938	0.7
241.04852	0.5
244.03156	0.5
249.05724	0.7
253.04887	3.6
265.04892	1.0
267.06583	3.1
269.04495	1.9
271.06067	3.6
283.06067	1.0
292.06189	0.6
293.04532	1.8
294.04431	0.6
294.07593	1.1
295.06033	12.9
296.05746	0.9
297.03928	14.5
299.05594	2.1
310.07101	0.6
311.05560	0.9
320.05853	0.7
321.04080	2.8
323.05807	0.8
338.06583	5.3
338.13782	0.5
339.04980	8.3
357.05954	0.7
368.11276	2.4
385.14099	3.5
395.12326	2.9
396.10782	9.9
466.19983	2.8
467.18097	4.2
484.20770	100.0
496.04837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61934	0.4
57.44919	0.5
66.97050	0.5
70.06599	1.1
84.05637	34.1
85.06384	1.0
88.11264	3.0
95.08611	0.7
99.96463	0.5
110.07178	2.5
156.93886	0.5
178.13440	5.5
180.14967	1.2
187.10782	1.2
206.12941	2.8
222.76645	0.5
224.13948	100.0
234.13335	1.0
242.15001	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	484.139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	14.5
62.57674	0.8
67.04250	10.9
68.04998	1.0
72.08147	6.5
72.73753	0.7
77.36293	1.0
77.73298	0.8
80.66545	0.9
85.02917	1.4
94.78583	0.9
95.06078	7.2
107.06090	0.8
111.05559	3.9
121.06515	4.0
123.04428	1.2
125.01701	40.0
126.02455	7.2
127.03259	64.0
142.21297	0.8
145.02863	4.3
154.13370	1.2
163.03908	7.8
177.05461	36.3
179.01711	1.4
193.04974	5.7
201.56477	1.0
215.08119	7.3
220.34366	0.8
221.04445	1.2
232.04341	3.6
233.03894	0.9
234.11200	10.5
236.14940	1.4
247.05365	10.4
248.06165	4.8
249.06915	4.0
271.73935	0.9
273.06909	6.1
275.04880	6.5
275.08466	1.3
275.58487	0.8
277.06427	4.8
291.07974	34.4
291.11288	1.1
295.68750	1.0
303.15924	0.9
307.13577	0.9
317.05923	23.6
319.07446	8.3
321.05347	17.2
327.04422	1.2
335.07028	1.8
345.05408	4.1
350.15308	1.8
362.09427	1.3
363.06610	1.5
378.15088	1.1
380.12915	1.7
381.07529	17.2
381.94562	0.9
440.14838	100.0
484.13855	45.5
484.26196	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	483.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61894	0.3
58.06592	1.3
61.45164	0.3
75.14243	0.3
131.04904	0.7
135.08206	0.4
160.07570	35.8
161.08334	0.6
163.07518	0.4
170.09612	1.4
174.09160	1.5
186.09142	100.0
187.09929	35.4
202.10988	1.4
217.13397	3.7
218.14133	22.3
271.11444	0.3
285.19778	0.5
456.69388	0.4
483.28537	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81695	0.3
58.06592	0.6
76.58739	0.3
104.10755	0.5
135.08109	0.9
135.81271	0.4
138.91170	0.4
160.07579	35.0
161.08351	0.8
163.03880	0.5
170.09651	1.6
174.09120	0.8
184.07417	0.5
186.09149	100.0
187.09932	36.0
202.11032	0.6
217.13385	4.3
218.14146	24.3
218.16241	0.9
232.12199	0.4
240.38757	0.4
264.62582	0.4
284.76355	0.4
299.23465	0.6
339.19037	0.4
483.28546	77.9
494.08878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	0.5
55.05523	14.1
57.03449	8.7
57.06843	0.4
57.07089	8.8
60.08165	0.4
63.15623	0.4
67.05514	3.9
69.07077	26.5
71.08640	7.1
73.02920	0.4
74.10677	0.3
79.05482	1.6
80.37533	0.3
81.07074	5.7
83.08630	28.8
84.76962	0.4
85.10199	4.2
86.09704	4.3
87.10035	0.6
93.07063	2.9
95.08607	3.6
95.96323	0.4
97.06531	2.6
97.09562	0.7
97.10175	18.9
98.98480	6.1
105.19976	0.4
107.08603	2.7
109.10162	1.6
111.08049	1.6
111.11715	4.7
120.78668	0.4
121.10164	3.5
123.11748	0.5
124.99995	2.3
133.10066	0.4
135.11690	2.3
139.11189	0.6
149.13287	0.4
155.01067	6.1
173.02168	0.9
184.07336	16.7
185.07710	4.1
189.58629	0.4
237.22118	0.5
311.25809	100.0
447.24966	6.3
483.32483	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	483.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74688	1.5
51.02384	1.7
55.05522	2.2
67.05511	8.6
69.03434	7.3
69.07066	2.0
74.54072	1.5
77.43223	1.5
79.05517	10.3
79.35522	1.6
80.65147	1.3
81.03433	2.8
81.07072	11.2
81.27488	1.7
83.04986	7.0
83.72506	1.7
84.04509	2.0
85.02911	8.0
85.06559	1.8
86.09666	1.5
87.02695	3.4
91.05472	2.9
91.38816	1.7
93.07035	15.1
95.05004	3.4
95.08614	56.5
95.09171	3.3
96.04510	6.1
97.06551	9.7
105.03747	18.8
105.07041	22.2
107.04983	7.2
107.08620	18.8
109.02876	2.3
109.06532	6.4
109.10149	12.8
111.08089	1.7
111.32211	1.5
115.19655	1.7
119.08576	14.3
121.06519	9.0
121.10155	8.5
122.06382	19.3
123.08086	3.9
124.07597	100.0
127.03941	6.5
130.04973	2.0
131.08577	8.2
133.10143	94.3
135.08076	2.2
135.11705	3.3
137.09651	10.8
141.06630	2.7
141.10332	1.7
143.08502	2.2
145.04973	1.9
145.10143	16.8
147.08098	7.7
147.11732	6.6
149.54208	1.7
155.08511	1.7
157.10190	8.5
159.08057	19.6
159.11720	12.2
161.09589	15.3
163.03925	3.5
169.09749	23.8
170.08228	1.9
171.11667	3.0
173.09622	34.8
173.13223	2.2
174.96864	2.2
175.11227	2.8
175.14786	3.8
186.10556	1.6
186.96892	2.1
187.10976	3.8
187.14861	13.4
188.07414	55.5
188.09009	2.7
189.16286	2.3
197.13326	13.3
199.14915	4.0
199.20383	1.5
205.15982	8.3
210.09100	1.6
215.14310	64.9
217.15961	24.0
233.09595	29.8
233.11784	1.9
233.15480	7.3
234.99062	7.7
235.16953	30.0
259.09689	3.2
277.00150	9.5
300.49747	1.7
363.00293	2.1
406.17755	2.3
419.25574	9.4
465.24374	32.5
465.30423	2.5
468.23318	7.0
483.25223	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	483.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47543	8.2
58.68653	7.4
61.81652	8.7
81.07061	12.5
95.73891	8.4
97.02908	11.8
105.07018	100.0
119.08549	17.1
121.06516	12.4
122.09648	37.0
131.08527	9.4
133.06502	40.1
135.08051	38.3
139.37521	10.3
145.10132	15.3
159.08032	18.0
159.11690	58.0
161.05971	69.8
161.09570	10.4
172.08852	22.4
173.09616	20.9
175.11189	69.7
187.11133	21.2
193.08601	41.5
205.13472	15.4
215.10704	15.8
233.11554	33.2
233.12985	44.5
234.99205	11.6
251.13911	40.1
269.85742	9.3
421.16251	9.3
483.24609	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80511	1.6
55.05521	2.4
57.03437	3.1
61.02933	2.0
67.05515	67.8
69.03423	8.2
69.07057	2.0
70.06599	86.9
70.70436	1.9
71.05004	2.8
71.06924	14.9
71.61525	1.6
72.08164	20.9
73.02925	2.7
73.83363	1.4
81.03431	7.2
81.07059	4.0
83.08600	1.9
84.08147	8.6
84.80884	1.6
85.02911	100.0
85.03426	3.8
85.06551	16.9
85.74371	1.6
86.09711	2.8
87.04454	2.1
91.03954	3.1
94.06571	2.6
95.01327	7.5
95.04955	9.1
95.06018	1.7
97.02895	23.3
98.06110	2.4
99.04451	3.0
103.03957	2.5
109.02869	12.3
109.10165	62.2
110.09679	2.3
112.07613	16.5
112.11217	2.3
113.07935	3.8
114.10266	3.5
123.04422	2.4
127.03942	30.3
127.11217	24.5
129.10239	2.0
131.03436	1.9
134.87685	2.0
136.07585	4.3
141.01839	74.1
145.02968	2.1
145.04962	45.9
147.04411	4.0
157.10809	2.2
159.02896	10.6
163.03928	22.3
163.05992	20.5
193.04875	3.8
218.08168	2.4
222.11186	2.1
274.13016	2.5
275.13452	4.1
309.25970	2.2
321.08218	14.0
339.09167	2.1
439.17996	12.1
465.15396	2.3
480.86884	2.2
483.16681	20.6
483.23007	19.6
483.72070	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23734	2.1
60.76759	1.9
79.78695	1.9
80.52455	1.9
101.00910	2.2
111.72833	2.1
143.01903	30.3
145.03496	9.3
155.01909	18.5
157.03401	3.1
161.02975	22.9
167.01918	14.2
173.02960	14.4
185.02972	38.1
197.03011	4.3
201.02417	62.1
203.04144	6.6
213.02509	4.7
215.03992	4.4
219.03525	54.6
227.03996	24.3
240.43608	2.1
245.05063	61.5
263.06012	3.9
303.05646	4.7
321.06772	17.2
365.09091	4.1
483.11969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07091	58.2
63.80662	4.7
64.29086	5.5
66.36440	5.5
66.49398	5.3
71.08646	51.7
74.26826	6.8
83.84510	5.8
85.10191	32.3
89.06029	86.4
93.27151	5.9
101.02435	5.3
133.08611	14.3
161.95436	6.5
177.11183	8.7
180.75058	6.5
183.20886	5.9
255.05942	9.4
283.17542	27.1
341.30435	12.4
369.73804	6.0
439.53131	6.0
465.37900	100.0
482.40247	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	482.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26314	0.4
57.03404	0.4
57.07087	3.1
58.06589	0.6
60.08176	10.0
60.14599	0.4
71.07365	0.9
71.08616	2.1
83.08678	0.4
86.09711	31.8
86.10238	1.1
95.08587	1.1
102.50593	0.5
104.10751	84.2
109.10116	0.7
123.11717	0.5
124.99255	0.5
124.99998	15.2
163.01534	0.7
184.07341	100.0
192.34282	0.4
299.25790	3.8
464.31339	7.9
482.32443	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42627	0.2
54.28414	0.2
57.07066	0.4
57.31542	0.2
60.07915	0.3
60.08170	4.8
63.13451	0.2
63.79891	0.2
67.59593	0.2
69.07064	0.2
71.07355	0.8
71.08620	0.3
81.07021	0.2
85.10179	0.3
85.18178	0.2
85.60410	0.2
86.09712	18.4
87.03130	0.2
95.08595	0.4
104.10751	3.1
110.82713	0.2
125.00009	9.8
142.98770	0.3
147.82629	0.2
184.07344	100.0
231.43381	0.2
237.07664	1.1
247.60814	0.3
250.92818	0.3
309.38409	0.2
464.31372	2.1
482.32437	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	482.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.7
57.07092	0.5
59.84687	0.4
62.39618	0.4
67.05495	0.5
69.03432	1.1
69.07056	0.8
70.06596	77.4
72.08163	0.9
74.31158	0.4
77.06949	0.5
81.03417	0.9
81.07064	2.4
83.04995	0.7
85.02896	1.9
89.10830	0.4
91.05512	0.8
93.07029	1.0
95.08604	1.2
97.02903	0.8
105.07027	1.1
107.04890	0.7
107.08595	8.8
109.02876	2.7
109.06526	2.4
109.10149	1.9
110.06047	2.6
112.07592	2.4
114.09187	2.3
119.08580	1.1
121.10142	6.2
122.41760	0.5
127.03929	3.1
128.07072	6.0
130.08652	15.2
131.08568	1.1
133.09123	0.9
133.10133	29.6
135.08052	17.2
135.09023	0.9
137.09621	42.2
145.10118	0.8
149.13275	7.3
163.03859	3.5
163.14717	0.9
173.13275	2.8
187.06076	0.6
191.14304	2.2
232.11848	0.7
240.64177	0.6
256.11676	1.5
274.12762	4.7
278.63983	0.5
285.12534	0.8
292.13898	7.5
406.17657	0.7
452.18195	1.0
458.20126	0.8
473.20709	2.5
482.27499	100.0
491.46454	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	482.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.7
57.07092	0.5
59.84687	0.4
62.39618	0.4
67.05495	0.5
69.03432	1.1
69.07056	0.8
70.06596	77.4
72.08163	0.9
74.31158	0.4
77.06949	0.5
81.03417	0.9
81.07064	2.4
83.04995	0.7
85.02896	1.9
89.10830	0.4
91.05512	0.8
93.07029	1.0
95.08604	1.2
97.02903	0.8
105.07027	1.1
107.04890	0.7
107.08595	8.8
109.02876	2.7
109.06526	2.4
109.10149	1.9
110.06047	2.6
112.07592	2.4
114.09187	2.3
119.08580	1.1
121.10142	6.2
122.41760	0.5
127.03929	3.1
128.07072	6.0
130.08652	15.2
131.08568	1.1
133.09123	0.9
133.10133	29.6
135.08052	17.2
135.09023	0.9
137.09621	42.2
145.10118	0.8
149.13275	7.3
163.03859	3.5
163.14717	0.9
173.13275	2.8
187.06076	0.6
191.14304	2.2
232.11848	0.7
240.64177	0.6
256.11676	1.5
274.12762	4.7
278.63983	0.5
285.12534	0.8
292.13898	7.5
406.17657	0.7
452.18195	1.0
458.20126	0.8
473.20709	2.5
482.27499	100.0
491.46454	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	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.3
57.07081	4.5
60.08169	2.6
64.02428	1.8
69.03433	5.4
69.07064	26.9
71.04977	2.4
71.08625	3.6
72.08156	2.5
73.06545	2.4
81.03443	4.2
85.02917	23.9
86.09718	17.1
87.00825	3.1
89.06047	18.1
97.02910	18.7
99.04414	2.7
104.10752	100.0
104.39971	2.2
105.01868	17.6
109.02873	5.0
111.11714	50.2
124.99966	10.4
127.03930	26.8
129.12743	55.0
145.04982	10.5
145.45486	2.3
159.02942	8.4
184.07358	44.2
199.16917	8.9
217.18022	25.3
223.28114	2.3
231.05013	9.2
418.17291	2.3
482.32230	11.6
482.39584	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	482.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08249	0.5
53.64912	0.6
55.88736	0.5
62.64131	0.6
72.56062	0.5
75.56577	0.6
80.26152	0.5
84.14384	0.5
85.02906	3.1
89.04251	0.7
89.67882	0.6
90.74120	0.6
97.02867	0.7
101.20365	0.5
105.07041	0.6
107.04964	19.1
119.08616	0.8
121.06515	2.9
131.84860	0.5
133.06496	42.6
143.66161	0.6
145.06514	2.7
147.08051	100.0
161.09657	2.5
165.09117	7.8
173.09641	10.4
191.10658	6.2
239.10634	7.0
267.13757	5.7
285.14853	20.3
295.11929	0.6
303.15924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17351	0.9
55.01882	1.8
55.05516	3.6
57.03429	2.3
57.07069	4.1
57.35896	0.9
61.02927	4.5
61.39875	0.9
66.39932	0.9
69.03441	18.1
69.07057	7.2
71.04987	4.2
71.08623	5.7
72.08148	0.9
73.02927	2.1
81.03419	11.3
81.07056	5.0
83.08636	11.0
83.90952	0.9
85.02911	62.4
85.06585	1.4
85.10210	3.4
87.00835	24.6
93.07064	2.1
95.08604	5.1
97.02899	19.5
97.06537	8.9
97.10197	6.9
99.04488	8.3
99.08093	1.1
105.01872	33.1
105.07117	1.2
107.08582	7.7
109.02887	26.8
109.10153	2.4
111.08085	6.9
115.07547	2.1
117.79220	1.0
120.08005	1.1
121.10121	5.2
123.11711	2.2
125.09634	9.0
127.03925	44.7
127.04874	1.4
129.09160	3.6
135.11708	2.4
139.11208	1.7
139.14828	2.0
143.10683	2.3
145.04970	12.6
159.02887	7.8
163.14821	35.3
177.60303	1.1
181.15881	27.3
199.16937	100.0
199.66933	1.0
213.03925	7.0
217.17928	6.9
227.21783	1.0
231.05011	16.7
249.06108	9.0
273.22198	1.7
292.09201	1.2
411.20047	1.4
428.32242	1.6
429.15433	1.8
429.21378	3.7
447.22400	1.8
482.19995	1.5
482.26614	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
58.06594	1.6
60.52623	0.3
70.06601	3.3
72.08162	14.2
73.06578	0.3
84.08143	3.7
85.02894	0.6
86.09661	0.3
98.06061	3.9
109.06538	0.5
110.09657	0.6
112.11240	8.7
113.07134	1.5
129.13893	3.4
132.04485	0.5
137.05992	8.1
144.08060	0.5
146.16582	1.2
151.07471	0.3
155.07065	0.4
155.11810	11.4
164.07059	28.1
172.14465	0.4
183.06535	0.5
186.05511	0.3
187.03961	0.4
189.05467	3.9
192.10229	0.5
217.09879	0.4
218.08134	0.5
223.07587	0.7
226.08621	0.7
234.13408	1.2
237.08974	0.4
240.06497	0.7
247.07516	1.2
250.06244	0.6
251.06967	4.7
254.11366	0.3
259.10846	2.0
265.08621	3.1
270.07535	0.4
277.05014	0.5
278.05768	1.5
279.06546	5.2
283.09680	1.6
293.08090	6.9
308.09256	0.3
309.07581	9.4
309.11008	0.4
311.09125	25.3
312.08536	0.3
314.10260	0.6
336.08572	0.5
337.07013	5.4
366.13489	0.4
393.14929	0.3
394.12888	12.2
411.15515	9.2
482.22855	100.0
486.83502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03993	0.3
56.12696	0.3
56.70327	0.3
57.46901	0.3
58.06592	0.4
64.01055	0.3
67.05520	4.3
68.05036	0.4
68.60318	0.3
69.03419	0.6
69.07071	2.3
70.06600	100.0
71.70576	0.3
72.08163	5.0
75.09245	0.4
81.03420	0.7
84.04541	0.5
84.08165	4.0
85.02906	1.8
94.06573	4.1
95.04972	11.0
97.02909	1.4
104.07119	0.6
109.02856	1.4
110.06021	0.7
112.07614	26.1
112.11288	0.6
113.06001	0.5
114.10300	2.2
123.04409	1.5
124.07558	0.5
127.03919	2.1
130.08655	2.4
135.04463	0.6
136.07590	1.6
138.05472	0.8
145.02814	0.5
147.04428	2.0
154.08600	1.6
155.11777	0.4
163.03903	3.4
164.04245	0.4
167.03299	0.4
169.33090	0.4
177.05466	0.6
178.08554	0.5
206.62265	0.3
220.09639	0.7
238.10707	1.9
256.11786	2.7
274.12869	8.0
285.13303	0.4
300.10690	1.7
318.11865	4.0
349.28058	0.4
438.17599	10.5
464.15518	0.7
482.16248	26.8
482.27097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90250	0.2
54.10979	0.2
56.53202	0.2
60.80858	0.2
70.06606	0.5
72.08158	0.3
86.02010	0.3
87.96909	0.2
93.07056	0.4
103.05450	2.0
107.04996	1.0
120.08109	100.0
131.04941	3.7
141.99159	0.3
145.08023	0.2
149.05969	2.3
161.76820	0.3
163.03940	0.5
164.04210	0.3
166.08636	50.3
179.46896	0.2
190.32434	0.2
415.17709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83868	0.7
55.14326	0.8
58.27135	0.8
58.88865	0.8
62.93591	0.8
64.41615	0.9
67.86243	0.8
71.23811	0.9
88.02221	5.4
91.05474	1.0
92.97939	1.1
95.04962	9.2
119.04928	6.0
121.02882	1.3
123.02670	2.3
123.04440	14.9
134.02737	2.1
140.04692	2.0
147.04468	6.9
151.02132	8.8
153.05435	1.2
154.06265	4.5
155.07050	10.0
167.07001	4.2
170.09709	1.9
175.03889	8.7
175.07596	0.9
179.01624	19.2
179.07024	37.2
180.07863	1.1
181.04939	11.0
181.06439	1.8
183.06491	5.1
183.08015	1.0
195.08072	1.5
201.13887	1.7
207.06549	10.4
211.04219	4.8
213.09152	3.8
223.07579	4.2
233.10443	1.1
237.05627	1.4
241.08638	5.8
251.07086	1.9
253.01797	1.0
269.08212	7.8
273.11252	6.3
279.06476	2.3
283.06177	1.1
283.09433	1.7
286.08316	2.0
297.07651	1.7
300.09918	2.0
301.10855	5.6
311.09067	2.3
314.07883	1.9
329.10187	44.8
330.10968	6.1
333.13321	23.6
339.57690	1.0
361.12814	100.0
377.13934	1.3
393.09998	11.5
482.15033	4.0
482.26111	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.7
70.06581	2.4
71.04949	0.4
72.08150	2.4
81.03398	0.4
81.07050	0.5
84.05611	0.4
84.08139	1.6
85.02885	0.8
93.07021	0.5
94.19948	0.3
98.30876	0.3
100.07616	0.5
105.07035	0.8
110.07146	2.2
116.05297	0.4
120.08091	0.5
126.12798	0.5
129.10184	0.6
131.08611	0.6
136.07526	0.5
139.08662	0.9
152.28972	0.4
160.07576	35.8
161.08347	0.7
170.09584	0.8
174.09100	1.5
184.01881	1.8
186.09143	100.0
187.09923	37.9
198.00087	24.7
198.01942	0.6
203.11894	0.5
207.99649	0.4
217.13383	4.7
218.14139	32.2
226.11792	0.4
231.04469	0.6
253.09676	0.4
258.11160	0.6
264.35223	0.4
267.00439	7.3
289.19241	0.5
296.04364	2.2
300.07254	0.6
429.26965	0.4
481.25443	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95958	0.3
56.05053	2.5
57.05514	0.2
58.75891	0.3
60.04519	1.5
61.01155	0.4
70.06595	0.4
72.08157	1.5
73.77515	0.3
75.84897	0.3
81.07051	0.6
82.07417	0.5
82.39311	0.3
85.02926	0.3
86.09702	0.7
93.07050	0.3
97.06511	0.4
104.05339	7.3
107.08632	0.4
123.08075	0.7
131.12929	0.4
143.08159	2.2
150.03008	0.4
150.05817	0.5
183.07672	0.5
185.25832	0.4
191.08536	0.6
201.08749	0.6
211.95731	0.3
219.07959	0.6
251.85059	0.3
262.93146	0.3
281.09763	0.5
304.13217	0.6
314.11777	1.2
478.34973	0.3
481.26273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70705	0.4
58.06592	0.9
60.66280	0.4
62.73416	0.4
70.06591	2.8
72.08165	0.6
86.09705	0.6
96.08129	7.3
98.09734	0.5
104.21510	0.4
120.08108	2.2
126.12819	2.1
134.09679	1.8
142.08766	0.5
144.08096	4.0
158.09634	6.1
170.09627	0.8
170.11769	2.4
172.11206	2.2
174.12770	7.5
182.09663	0.8
184.11156	3.4
186.12767	2.7
188.10788	0.7
196.11276	1.1
199.12260	1.2
201.13873	0.9
212.14442	0.7
213.13919	1.0
217.17073	2.2
224.14348	1.0
226.15935	2.9
227.15433	6.3
240.13875	0.7
245.16473	40.1
252.13832	0.5
255.18396	0.8
257.20096	4.7
258.14871	0.9
270.14816	2.3
283.18121	2.8
301.19101	15.9
319.20160	6.6
340.69971	0.5
343.20175	2.3
373.21130	0.6
403.22430	1.0
405.24307	0.5
445.23178	0.6
463.24396	17.2
481.25473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	1.1
58.24371	0.5
59.96676	0.6
68.80907	0.5
69.03426	0.6
70.06604	3.9
72.08157	1.0
82.49165	0.5
84.08141	2.8
84.92683	0.5
85.02901	2.4
86.09704	1.3
87.66006	0.5
90.52496	0.5
92.25484	0.6
96.08144	6.4
97.02863	0.6
98.09714	1.3
120.08060	1.0
122.09598	0.7
126.12798	5.7
130.08650	0.7
134.09642	1.3
142.08595	0.5
144.08072	5.8
146.09673	2.2
148.11205	1.0
152.10715	0.8
157.08943	0.7
158.09665	9.8
160.11255	1.1
161.02910	0.7
170.09682	1.0
170.11769	2.5
172.11244	2.4
174.12796	6.2
175.04507	1.0
182.09714	0.8
184.11191	4.1
186.12791	5.0
188.10648	0.8
196.11232	2.2
197.12054	1.1
199.12292	1.2
201.13867	1.3
205.05608	10.5
212.14343	2.2
213.13803	1.0
217.17082	0.9
224.14351	1.3
226.15892	5.6
227.15450	7.3
229.16922	2.5
231.07103	1.0
231.25436	0.6
245.16498	31.5
252.13860	0.7
255.16194	0.6
255.18683	3.5
257.20139	16.8
258.14893	1.0
270.14774	4.2
275.21167	3.6
283.18167	3.2
301.19116	47.9
319.20178	77.0
343.20148	2.9
463.24396	15.4
481.10950	4.3
481.25491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21320	0.4
58.06602	1.3
65.07158	0.5
67.78186	0.5
68.72411	0.5
69.03444	0.6
70.06583	3.0
74.18723	0.5
74.63699	0.6
96.08134	8.8
101.99213	0.5
103.73560	0.5
119.83813	0.5
120.08115	2.1
124.07600	0.6
124.11191	0.5
126.12840	3.0
132.08032	0.6
134.09656	0.8
138.93851	1.2
142.08661	0.6
144.08049	4.2
146.09642	0.9
148.11162	0.6
157.08757	0.6
158.09657	6.1
158.44887	0.5
160.11188	0.7
170.09612	1.1
170.11736	2.0
171.10518	0.8
172.11243	2.4
174.12749	6.5
182.09666	1.1
184.11250	3.2
186.12782	3.3
188.10718	0.7
195.81662	0.6
196.11215	4.0
199.12338	0.7
200.13019	0.8
201.13921	2.2
212.14394	0.7
213.13945	2.6
217.16989	2.8
224.14395	1.1
226.15886	4.1
227.15396	6.6
229.17009	0.7
245.16487	32.9
252.13866	0.9
255.18518	1.0
257.20135	6.0
270.14966	2.1
275.21097	0.6
283.18018	2.8
299.46350	0.6
301.19104	21.7
319.20160	13.5
343.20224	2.1
381.08133	0.6
403.22177	2.0
421.03711	1.1
432.20157	1.3
435.21274	0.7
437.97073	0.6
463.18353	0.9
463.24438	16.0
481.25443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98116	0.4
53.03962	1.6
55.01873	1.9
57.03444	0.9
61.02922	0.6
66.09469	0.4
68.99762	0.5
69.03106	0.7
69.03439	13.8
71.04978	2.2
72.08170	3.4
73.02933	4.2
73.75493	0.4
79.02582	0.4
81.03429	14.9
85.02912	30.6
86.09682	0.5
87.00842	10.0
91.03946	1.0
97.02896	8.9
99.04467	8.9
105.01886	12.2
109.02891	27.4
120.08093	2.1
127.03920	38.4
129.01834	4.5
132.08112	2.5
143.07295	5.4
145.04967	8.5
147.02904	3.2
148.07576	2.0
157.08858	0.5
158.09657	48.0
159.02884	20.3
160.11227	8.1
172.11191	4.6
174.09143	0.9
176.10712	100.0
187.12315	0.8
188.10709	5.5
200.10773	1.0
213.03946	1.8
218.11748	6.7
231.04980	3.0
235.10773	2.8
236.69934	0.5
242.11784	0.5
263.10321	1.0
328.53482	0.5
344.14880	0.5
362.16354	2.4
380.17084	0.8
406.14902	0.7
424.16034	48.1
481.21832	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44677	1.4
60.49149	1.5
69.03429	2.8
79.05470	7.3
81.07060	2.1
83.04987	2.4
85.02890	4.1
85.06474	2.3
91.03688	1.7
91.05435	2.0
99.04406	2.7
102.52723	2.0
105.07010	2.7
107.08514	2.1
109.02842	3.1
109.10126	2.0
114.09151	4.3
119.08550	3.3
123.07951	2.1
127.03815	2.9
131.08539	2.7
133.10114	2.2
135.08003	10.3
137.09616	2.3
141.82957	1.6
143.08554	1.8
145.10106	13.8
149.09563	2.7
155.08479	2.5
155.35306	1.8
158.07268	2.9
159.08000	8.9
159.11601	8.2
161.09529	3.1
164.06931	2.0
173.09625	40.5
173.13203	3.2
185.13129	2.3
187.11208	22.6
187.14771	10.3
189.12688	3.4
193.04900	2.4
200.11887	7.4
215.14326	44.7
233.15042	8.4
283.73080	1.9
301.17914	4.1
319.19138	2.0
395.20306	13.6
437.21359	13.3
437.68152	2.0
481.20206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.205
Annotation	Trp Phe Glu
Peak:m/z	Relative Intensity
63.04323	0.5
77.99946	0.4
81.03451	0.7
81.07065	0.5
85.02915	0.6
87.00781	0.6
99.04467	0.6
105.06998	0.4
107.08584	0.5
109.02839	0.8
114.72612	0.5
119.29999	0.4
127.03915	1.0
137.06000	0.5
139.96446	0.5
145.10159	0.7
145.18158	0.5
159.02957	0.5
163.03902	2.1
187.14812	1.1
215.14235	0.9
223.28729	0.5
233.15102	4.4
271.04208	1.1
377.19254	0.8
395.20328	10.0
419.20297	0.8
437.21399	10.0
466.18524	0.6
481.20453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	37.6
60.04534	25.4
61.01155	12.0
70.02952	0.7
72.08152	3.6
83.60342	0.6
84.04496	0.7
86.06084	5.3
87.05592	6.1
92.17837	0.8
95.40038	0.7
97.07636	6.2
104.05336	100.0
113.07101	1.0
114.05540	7.5
123.56427	0.8
133.03194	4.2
137.06013	5.2
138.06314	1.3
141.06581	3.7
143.08170	42.7
144.08037	1.2
150.05844	11.0
155.08205	0.9
170.09680	3.5
171.10365	1.2
173.09396	1.1
180.10966	1.3
183.07646	8.6
191.08482	12.5
193.16220	0.7
197.11797	0.9
198.12047	1.3
201.08684	9.1
219.07939	7.8
233.09610	1.2
238.11852	4.7
256.12842	1.5
264.96347	0.7
269.97501	0.7
281.09912	13.8
286.12128	6.2
291.87537	0.8
304.13297	14.5
314.11728	17.9
332.12781	13.6
368.13025	7.9
457.24704	0.8
463.16916	3.4
481.26089	26.2
485.78979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.37
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91977	1.8
57.03444	5.3
58.06614	20.6
59.07383	12.3
59.38977	2.1
67.05502	8.3
69.07072	2.1
81.07086	3.2
85.02902	3.4
95.08605	2.9
97.06552	2.7
106.41134	1.9
113.05998	3.5
144.10219	99.3
162.11288	12.7
187.67743	2.3
202.00359	2.1
409.40637	2.3
436.37936	8.6
480.36880	100.0
480.43787	4.1
493.54453	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	480.309
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.46450	6.8
54.44973	7.9
57.58647	7.5
62.06090	16.6
69.07053	8.7
95.08591	37.9
96.72149	9.9
339.29068	100.0
346.10278	9.6
358.79947	8.7
462.29550	31.0
480.30795	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	480.2497
Annotation	Fumitremorgin B
Peak:m/z	Relative Intensity
52.81652	0.6
55.10910	0.6
55.50405	0.7
58.06590	0.8
70.06581	0.8
71.19179	0.7
72.08153	4.6
84.37521	0.7
84.38074	0.6
89.10760	0.6
93.14968	0.6
131.03966	0.8
142.80203	0.7
148.07495	0.8
160.07587	43.2
161.08432	1.0
163.03928	1.4
170.09625	1.2
173.08369	5.4
174.09120	3.7
186.09152	74.6
187.09927	23.4
189.44922	0.7
190.60384	0.7
200.10762	1.1
201.10225	5.5
202.10980	1.4
203.09480	3.7
203.11833	8.4
204.12532	0.9
212.10706	1.0
213.07846	2.8
214.12399	0.8
215.11862	3.8
216.12570	48.2
217.13358	9.8
218.14127	14.6
226.12120	0.7
228.10133	2.3
253.47852	0.8
254.11786	0.9
269.13528	0.7
333.18143	3.2
405.18265	0.9
480.24942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2499
Annotation	Fumitremorgin B
Peak:m/z	Relative Intensity
56.69209	0.2
58.06582	1.8
58.99175	0.3
70.06572	1.2
72.08139	1.8
95.71923	0.2
160.07578	35.3
161.08311	0.5
170.09676	1.8
170.35699	0.3
174.09125	0.7
175.73709	0.3
186.09146	100.0
187.09927	28.9
202.11011	1.3
217.13339	5.0
218.14156	17.9
232.49597	0.3
480.24988	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	480.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	1.3
57.03456	1.1
57.07080	3.1
61.02935	1.6
62.06094	1.4
67.05509	3.9
67.19666	0.6
69.03426	1.5
69.07082	1.3
70.06574	1.0
72.08150	4.5
79.05500	3.8
81.03426	1.5
81.07065	5.2
83.08632	1.8
85.02916	7.0
85.06560	7.0
86.09709	1.0
87.00871	0.9
93.07050	5.5
95.04955	0.8
95.08617	12.8
97.02888	4.3
97.06533	3.4
99.04451	3.2
104.40291	0.8
105.01892	2.9
105.07046	1.7
107.04967	1.1
107.08601	6.5
109.02885	1.8
109.10133	1.7
112.92413	0.6
114.09185	1.2
117.07059	1.0
119.08593	5.1
119.52644	0.8
120.08143	1.0
121.06512	1.6
121.10156	8.9
121.70316	0.8
122.06059	3.3
125.06004	4.2
127.03908	4.9
127.07576	0.9
133.10139	0.8
135.11705	26.1
136.07581	3.5
137.06001	1.1
139.07585	1.0
145.10086	9.3
159.02879	0.8
162.05548	1.3
163.11182	52.7
164.07021	5.3
166.38806	0.7
179.38242	0.8
181.12253	12.8
197.11758	5.2
197.15355	1.2
209.11722	3.1
227.12794	68.0
231.04990	1.1
236.14943	1.3
237.15254	1.0
238.15271	2.8
244.90680	0.8
248.61981	0.7
249.06049	1.0
283.15414	100.0
301.16452	1.2
390.14960	8.9
393.92618	0.8
412.26202	1.0
430.27130	3.1
445.20850	5.1
464.21155	1.0
480.19724	3.4
480.31259	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	480.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	0.7
58.06601	7.0
60.08160	3.6
60.49059	0.7
67.51279	0.7
68.05029	4.3
70.06583	5.7
72.08159	56.7
83.06065	0.8
84.08147	60.4
86.09708	0.9
90.34412	0.8
99.09216	1.3
101.10792	1.8
115.03278	14.6
118.40019	0.7
122.09642	5.5
123.04440	4.5
127.03247	15.2
135.04404	9.3
139.12329	1.3
143.02672	1.2
144.05899	1.4
155.02756	3.0
163.03903	11.1
164.06985	0.9
166.93974	0.8
167.02737	18.7
184.05212	0.8
185.09802	7.9
186.10620	3.0
201.30836	0.7
206.11778	8.9
234.11269	4.4
249.06978	3.9
251.13899	0.9
254.11427	2.8
256.08398	1.1
261.06967	8.4
263.13904	1.3
267.11523	0.9
277.06400	19.3
277.09174	1.3
285.27518	0.8
289.06400	15.5
291.08182	0.9
293.09634	3.9
305.05673	0.9
306.09207	5.7
348.13907	1.6
358.12027	1.1
360.13788	3.2
377.16498	5.4
421.15326	1.4
436.23773	100.0
480.22751	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	480.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14446	1.2
58.06612	10.2
60.08170	5.5
68.05029	2.7
70.06589	6.6
72.08158	67.0
72.43366	1.3
83.06114	1.8
84.08150	100.0
99.09203	1.6
101.10792	1.7
113.01714	3.4
115.03262	21.5
121.06514	9.5
122.09655	7.9
123.04398	1.7
127.03258	25.8
127.05040	1.4
133.13319	1.3
135.04410	9.9
139.12283	1.9
144.05884	2.1
155.02756	2.5
163.03961	10.3
165.05521	15.2
167.02760	20.5
169.04399	1.7
185.09793	11.5
186.10588	1.5
189.69548	1.6
206.11755	10.4
234.11278	8.2
249.06931	2.6
261.06940	9.4
267.11551	1.7
277.06445	35.6
289.06406	21.8
291.08112	1.6
294.38535	1.6
306.09235	4.7
306.12662	1.4
306.29712	1.6
348.13754	2.0
360.13904	3.0
375.14551	2.7
377.16364	10.3
421.15399	2.2
436.23776	96.0
480.22763	88.2
480.29788	2.8
486.20218	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70110	2.1
55.05505	3.7
57.03445	2.8
58.99590	2.9
61.19035	1.9
67.05522	17.6
67.05793	1.9
68.05058	2.3
70.06582	4.4
71.04988	3.1
71.30144	2.4
72.08158	10.0
76.02232	3.2
79.05491	34.7
81.03424	13.2
81.07063	61.1
82.06586	3.3
84.08139	14.6
85.01130	51.4
85.02889	3.0
85.06547	2.7
85.30418	2.2
86.00662	18.7
87.04459	3.8
88.04009	11.5
91.05508	17.0
93.07037	28.2
95.04966	12.3
95.08609	12.7
96.08148	2.4
97.01117	5.8
97.06551	8.8
98.09713	2.7
99.02678	5.7
99.08076	4.4
105.00136	3.7
105.07029	5.7
107.04926	4.0
107.08613	5.5
108.08126	2.7
109.06516	9.7
110.09689	13.3
111.08064	20.3
112.94716	2.4
113.04221	53.7
115.02171	3.0
117.07018	5.8
119.08580	10.1
121.10124	11.7
122.02725	13.4
123.02745	3.0
123.08077	3.4
126.31071	2.5
127.07547	19.0
131.08569	14.2
132.01164	64.9
133.10156	9.4
135.08044	3.4
137.05997	5.4
143.08545	3.0
145.08627	4.4
145.10101	2.9
149.09601	17.9
151.03908	9.1
151.05785	13.9
153.07315	2.5
154.06871	3.0
157.08537	5.1
158.02730	2.8
161.09572	3.8
167.10655	4.7
182.02921	2.2
185.06281	10.8
186.05829	10.8
186.09171	3.5
187.09616	5.0
200.07527	5.7
202.08946	25.5
212.93823	2.4
218.14104	4.1
225.11264	4.9
240.10538	4.0
251.74271	2.7
270.11676	10.1
305.17722	4.5
323.18576	11.5
330.13794	3.1
408.18274	12.9
426.19412	48.1
444.14679	5.0
444.20508	100.0
462.21512	65.8
480.22726	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	480.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53448	0.5
94.76656	0.7
104.63291	0.6
105.07024	1.2
110.82163	0.6
133.06522	3.7
161.05957	7.0
167.07043	100.0
187.99016	0.7
193.08630	9.3
211.09662	13.5
427.38794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70110	2.1
55.05505	3.7
57.03445	2.8
58.99590	2.9
61.19035	1.9
67.05522	17.6
67.05793	1.9
68.05058	2.3
70.06582	4.4
71.04988	3.1
71.30144	2.4
72.08158	10.0
76.02232	3.2
79.05491	34.7
81.03424	13.2
81.07063	61.1
82.06586	3.3
84.08139	14.6
85.01130	51.4
85.02889	3.0
85.06547	2.7
85.30418	2.2
86.00662	18.7
87.04459	3.8
88.04009	11.5
91.05508	17.0
93.07037	28.2
95.04966	12.3
95.08609	12.7
96.08148	2.4
97.01117	5.8
97.06551	8.8
98.09713	2.7
99.02678	5.7
99.08076	4.4
105.00136	3.7
105.07029	5.7
107.04926	4.0
107.08613	5.5
108.08126	2.7
109.06516	9.7
110.09689	13.3
111.08064	20.3
112.94716	2.4
113.04221	53.7
115.02171	3.0
117.07018	5.8
119.08580	10.1
121.10124	11.7
122.02725	13.4
123.02745	3.0
123.08077	3.4
126.31071	2.5
127.07547	19.0
131.08569	14.2
132.01164	64.9
133.10156	9.4
135.08044	3.4
137.05997	5.4
143.08545	3.0
145.08627	4.4
145.10101	2.9
149.09601	17.9
151.03908	9.1
151.05785	13.9
153.07315	2.5
154.06871	3.0
157.08537	5.1
158.02730	2.8
161.09572	3.8
167.10655	4.7
182.02921	2.2
185.06281	10.8
186.05829	10.8
186.09171	3.5
187.09616	5.0
200.07527	5.7
202.08946	25.5
212.93823	2.4
218.14104	4.1
225.11264	4.9
240.10538	4.0
251.74271	2.7
270.11676	10.1
305.17722	4.5
323.18576	11.5
330.13794	3.1
408.18274	12.9
426.19412	48.1
444.14679	5.0
444.20508	100.0
462.21512	65.8
480.22726	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	480.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02543	0.5
51.28147	0.5
56.05027	1.1
58.06613	5.2
61.10593	0.6
63.33171	0.5
63.63810	0.5
70.06599	28.1
72.08159	25.4
75.09258	4.5
84.08105	2.5
85.02872	1.0
86.09696	0.7
89.30000	0.5
97.07620	3.9
98.06030	1.2
101.69588	0.6
110.09700	5.1
112.11188	1.0
114.10291	37.4
115.08724	6.3
123.04437	1.2
131.12863	0.7
147.04352	0.6
152.07027	1.0
162.05411	3.3
163.03896	5.4
165.05389	1.1
165.07776	0.7
186.08961	1.0
190.04897	0.7
193.10075	0.6
194.08064	0.8
204.06491	2.3
218.07971	1.0
232.09535	0.7
244.87398	0.6
252.08875	1.0
266.10349	2.5
267.11053	0.8
270.07346	1.0
272.05353	1.0
272.81735	0.6
274.15399	2.0
275.13879	6.7
290.06693	7.3
295.10764	14.6
302.06494	2.2
305.09210	0.8
306.09665	1.0
307.10593	0.6
308.07666	20.9
312.12936	0.8
317.15936	3.3
318.18790	0.7
332.07474	1.4
334.18387	2.8
337.11575	3.1
350.08398	3.8
352.12506	2.6
373.13901	2.7
394.17746	4.2
403.14578	4.1
411.20499	5.2
415.16049	0.9
420.17749	1.4
421.16171	5.6
445.16809	1.0
449.17886	0.8
462.19293	0.9
463.17999	2.4
480.20438	100.0
480.25613	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	480.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35850	0.2
70.06586	0.4
70.69191	0.2
72.08162	0.4
82.27915	0.2
84.08144	1.6
91.05489	1.2
93.07043	2.0
99.80002	0.2
103.05473	1.3
105.73785	0.2
121.06507	100.0
129.02855	0.2
129.71159	0.2
135.04416	0.4
138.09148	29.1
153.05461	0.3
157.90704	0.2
163.03894	4.2
167.07025	0.3
179.07056	0.3
197.08145	0.3
225.67699	0.2
373.29150	0.2
436.22391	2.0
480.21179	2.5
502.39981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05517	0.6
56.83400	0.4
58.06064	0.4
69.03426	0.8
70.06613	0.5
72.08134	2.2
81.03433	1.0
81.07061	2.7
83.58887	0.4
85.02895	4.8
87.00826	1.8
97.02890	3.2
99.04454	0.6
105.01862	1.0
109.02880	2.2
109.06530	1.9
109.10104	0.4
119.08585	1.9
124.30032	0.5
125.05998	7.1
127.03915	6.2
129.01837	0.4
133.10120	1.0
133.11072	0.5
137.05981	100.0
137.09555	3.6
142.31290	0.5
143.08522	0.9
159.02957	0.6
161.09593	7.2
163.03879	0.8
163.70186	0.5
169.12488	0.4
179.10663	58.5
197.11731	53.1
272.13461	0.5
365.15912	3.1
391.13855	0.9
409.14902	4.1
427.15930	5.4
445.16913	0.6
480.23190	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55388	6.1
53.98177	6.3
61.34056	7.3
70.59415	6.8
270.61224	8.7
479.35059	100.0
482.94537	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	479.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23298	11.0
57.81874	9.8
63.11965	10.1
87.28834	13.1
89.94564	12.4
115.29125	10.5
121.28192	9.8
139.60243	12.5
162.77602	12.5
173.34157	11.6
317.71585	13.5
479.35025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3373
Annotation	Dolicholide
Peak:m/z	Relative Intensity
55.05526	5.0
57.07090	0.8
67.05511	4.3
69.07075	6.2
76.37048	0.6
81.07068	9.2
83.08197	0.8
83.08618	5.9
85.92484	0.6
95.08607	10.4
97.10181	8.2
109.10165	7.1
111.11707	3.1
117.03410	2.9
123.11698	2.7
127.21746	0.8
137.13228	0.7
145.02855	31.9
163.04039	0.7
177.05473	100.0
195.06517	9.9
202.04370	0.6
221.99045	0.7
251.17757	0.6
267.26776	0.7
285.27896	12.0
286.99039	0.6
334.23972	0.7
479.28262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11472	0.2
51.86039	0.2
55.05505	1.2
57.07077	0.3
58.49211	0.2
67.05501	1.0
69.07073	2.0
81.07061	2.9
83.08633	2.0
84.64845	0.3
85.52760	0.2
89.03905	1.1
95.08609	2.8
97.10155	1.7
109.10152	1.3
111.11722	0.9
115.95637	0.2
117.03391	4.5
123.11716	0.9
145.02850	38.9
149.05980	2.2
161.70184	0.2
163.03917	0.4
170.05899	0.3
177.05469	100.0
186.05557	0.6
193.79451	0.3
195.06488	2.5
215.19539	0.3
267.26736	0.5
285.27927	4.8
311.99823	0.3
316.73770	0.3
461.32489	0.3
479.29086	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	479.3371
Annotation	Dolicholide
Peak:m/z	Relative Intensity
53.74066	1.6
58.70145	1.8
59.49512	1.7
63.47527	1.9
67.05520	2.2
79.02471	1.9
81.16694	2.1
81.21637	2.0
92.18514	2.4
92.76200	2.0
103.61869	2.2
104.27960	2.0
107.13314	2.1
117.03399	2.3
124.31833	2.0
145.02852	35.9
154.16078	2.0
177.03914	3.6
177.05458	100.0
177.60771	2.2
194.68108	2.3
257.50311	2.4
272.76315	2.9
301.18640	2.2
410.51981	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	479.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
79.25156	1.3
98.56728	1.4
111.72294	1.5
117.03345	3.0
138.94720	1.4
145.02875	42.0
177.05463	100.0
177.91486	1.5
192.43845	1.4
239.18301	1.4
248.40251	1.6
276.23294	1.6
373.94839	1.6
412.81857	1.8
479.32455	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	479.2645
Annotation	Pharboside G
Peak:m/z	Relative Intensity
55.05492	0.5
62.32675	0.5
67.05499	0.5
69.03423	1.0
69.07060	1.0
74.02340	0.4
76.36549	0.4
79.07991	0.5
81.07053	2.9
83.08623	1.1
85.02905	3.6
86.03137	0.5
95.08611	0.6
97.02899	1.0
123.11713	41.7
127.03958	0.7
179.07039	28.0
179.08633	1.0
191.06955	0.6
204.38191	0.5
221.11761	2.9
225.12872	0.7
229.12230	2.5
231.13831	0.7
233.11758	1.9
239.14287	0.8
243.13739	0.7
245.15268	0.9
249.14714	0.5
249.85847	0.4
275.16501	6.1
290.08411	0.5
299.20047	1.0
317.21130	100.0
479.19638	1.0
479.26428	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	479.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80629	0.6
61.62848	0.8
63.28548	0.7
70.06595	1.9
72.08159	4.0
89.10736	0.8
90.95628	0.8
96.81027	0.8
98.06069	0.9
133.88116	0.9
144.08084	23.5
147.04428	1.8
163.03920	1.2
170.09637	100.0
171.10414	48.8
177.05481	1.6
186.09030	1.6
187.09976	1.3
187.12375	1.0
200.13171	4.3
201.13927	4.0
202.14651	87.9
216.55196	0.8
218.14175	1.4
221.38908	0.9
317.18582	57.7
479.23953	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26125	0.8
60.68103	0.8
61.18214	0.7
61.74511	0.8
62.86299	0.8
80.65142	0.9
92.18556	1.1
118.24960	0.9
160.07573	33.3
161.08382	1.2
167.93773	1.0
170.09634	1.1
174.09111	1.4
177.05501	1.5
186.09145	100.0
187.09929	32.2
194.99283	0.9
202.11089	1.2
206.59126	0.8
217.13409	3.9
218.14114	13.2
246.43401	0.9
271.23267	1.0
276.76953	0.9
372.46271	1.0
479.25406	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44698	0.4
57.55535	0.5
58.06601	0.7
96.67880	0.6
99.14243	0.5
150.68633	0.6
160.07578	28.9
161.08360	0.8
166.68405	0.6
170.09619	1.2
186.09146	79.7
187.09927	46.5
217.13408	1.4
218.14142	71.5
218.35138	0.6
317.18600	44.4
432.19608	0.6
479.23895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66067	0.4
58.06619	0.4
160.07576	37.8
161.08374	0.8
170.09607	0.9
186.09146	100.0
187.09932	34.6
189.78047	0.4
195.62144	0.4
203.11740	0.6
217.13274	3.5
218.14160	25.3
479.23901	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47812	0.4
56.28883	0.4
58.06594	0.6
68.54230	0.4
69.29565	0.4
81.53747	0.5
96.82457	0.5
160.07570	28.3
161.60873	0.5
174.09096	0.8
174.23740	0.5
186.09140	77.4
187.09923	47.8
203.68298	0.5
210.74544	0.5
217.13370	1.2
218.14140	70.1
246.08434	0.5
317.18616	9.3
380.19382	2.1
479.23877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58989	0.6
55.17559	0.6
58.06616	0.6
58.90067	0.5
66.76988	0.5
67.52289	0.5
69.50499	0.7
70.06622	0.9
71.05017	0.6
72.08137	1.3
78.27200	0.6
84.61355	0.6
86.07067	0.6
90.84509	0.6
104.04470	0.6
104.14313	0.6
144.08141	5.4
160.07574	25.4
163.03938	1.0
170.09633	19.7
171.10414	5.4
177.05405	0.6
180.62352	0.7
186.09140	80.0
187.09921	52.8
201.13887	1.3
202.14674	3.2
217.13309	1.3
218.14140	76.1
219.47256	0.8
317.18546	9.1
380.19568	1.6
411.39435	0.7
456.95068	0.6
462.62408	0.7
479.23904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94712	0.2
58.06580	0.5
62.26984	0.3
63.56275	0.3
72.65761	0.4
80.21198	0.4
83.01497	0.3
83.23785	0.3
84.08111	0.3
144.08089	30.5
144.59030	0.4
145.08864	1.4
158.09627	0.8
159.08900	0.4
170.09639	100.0
171.10414	24.6
171.11885	0.9
187.12251	2.0
188.13078	2.2
201.13907	3.1
202.14641	17.7
449.16895	0.4
479.23898	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	1.0
62.48290	0.4
114.34391	0.4
115.34998	0.4
152.44591	0.5
159.01033	0.4
160.07574	33.4
161.08342	0.6
170.09633	2.5
170.58885	0.5
174.09190	0.5
186.09145	100.0
187.09930	32.1
187.11209	0.6
217.13397	3.2
218.14151	24.9
317.18750	0.5
365.75293	0.5
381.87430	0.4
479.23898	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99962	1.1
64.35588	1.5
65.37984	1.4
66.10010	1.3
70.54758	1.3
84.27224	1.3
86.32752	1.6
136.94034	100.0
162.37346	1.5
214.89503	2.4
381.03387	2.8
381.07971	46.4
419.03653	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90631	1.0
59.17313	1.0
102.95827	1.1
115.62925	1.3
231.13510	2.5
289.05200	1.8
291.14365	2.5
309.15540	1.5
393.18546	7.9
435.19608	11.7
479.18900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.06352	0.4
58.06610	6.2
59.07380	1.8
59.73605	0.3
60.08181	2.8
60.11085	0.4
65.32935	0.3
70.06613	0.6
72.08154	0.8
73.02902	0.4
75.04472	0.5
76.19820	0.3
79.05469	0.4
81.03452	1.1
84.08189	0.3
85.02897	1.6
85.35963	0.4
86.09722	0.6
87.04465	0.8
88.37638	0.4
91.05453	0.6
93.07040	0.4
95.04912	0.4
95.08599	1.6
97.06520	0.7
104.42924	0.4
107.08601	0.4
116.10712	0.9
119.08570	0.5
130.08650	0.4
131.07089	0.6
133.10181	0.5
143.10684	3.1
144.10214	7.8
147.11610	0.5
150.10078	0.4
162.11270	3.5
200.12833	13.2
200.14574	0.7
212.10719	3.3
214.18089	0.9
218.14029	0.4
230.11719	2.0
233.31175	0.4
236.14938	100.0
261.37885	0.4
298.20120	2.2
316.21121	3.3
366.26520	0.4
410.25339	6.7
428.26477	60.9
460.29047	0.7
478.26581	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2934
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05510	10.1
62.06099	37.3
67.05515	24.4
69.07066	20.0
76.08242	2.5
79.05511	4.0
81.07066	31.4
83.08621	5.7
91.05513	4.0
92.40556	2.7
93.07043	5.9
95.08595	22.1
98.98457	4.6
107.08610	6.5
109.10162	5.0
121.10139	3.9
123.11646	4.1
133.10170	3.2
191.64795	2.4
194.53413	2.7
263.23596	5.9
284.61200	3.0
306.27963	11.9
337.27405	100.0
417.23895	2.8
460.28247	42.3
478.29416	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2703
Annotation	VM 54159
Peak:m/z	Relative Intensity
50.38244	0.4
58.06577	0.8
62.13313	0.4
64.23994	0.4
74.98843	0.4
79.23151	0.4
86.59342	0.4
92.17852	0.6
99.14724	0.4
106.32105	0.6
108.18424	0.4
112.49477	0.5
160.07574	32.1
160.08911	1.0
161.08371	0.7
170.09599	0.8
174.09105	1.1
186.09146	100.0
187.09929	23.7
187.11249	0.7
187.30310	0.5
202.10951	0.8
203.11931	0.5
217.13383	5.0
218.14134	14.3
278.64621	0.5
292.31201	0.5
478.27020	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
52.85483	0.8
55.05509	1.1
57.58815	0.9
67.05502	2.3
69.07048	1.4
71.18793	0.8
81.07053	2.2
95.08578	3.3
98.06043	4.2
101.53544	0.9
130.54192	0.9
167.16631	1.0
202.89713	1.0
250.17725	1.2
306.27902	100.0
491.53229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2934
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05527	10.0
57.03446	7.7
57.07083	1.3
62.41597	0.5
67.05516	20.9
67.05876	0.7
69.07075	13.4
71.05006	0.6
71.08609	0.7
74.43215	0.5
76.45592	0.5
79.05485	3.9
79.44184	0.5
81.07066	26.7
83.04982	0.8
83.08631	10.9
85.06586	0.6
91.05482	3.9
93.07047	6.1
95.08613	20.7
96.59632	0.6
97.06537	1.1
97.10197	4.9
100.18665	0.6
101.89632	0.6
105.07043	3.4
107.08612	5.1
109.06527	0.7
109.10163	8.9
117.40054	0.7
119.08559	3.8
121.10143	3.0
123.11685	4.6
133.10120	3.5
135.11688	1.1
137.13269	1.2
138.66530	0.6
147.11668	2.3
149.13295	1.1
153.22321	0.6
161.13289	1.2
175.14774	0.8
203.23941	0.7
254.46129	0.6
263.23602	0.8
306.27829	1.4
337.27383	100.0
401.70313	0.7
403.87665	0.6
478.29349	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	478.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99165	0.3
58.06602	0.7
72.50301	0.4
85.54152	0.4
86.20592	0.4
116.30180	0.5
160.07582	36.4
168.07396	0.6
170.09665	2.3
174.09102	1.6
186.09148	100.0
187.09929	28.3
202.10994	0.4
203.11873	0.5
217.13341	4.2
218.14157	15.7
240.66176	0.4
458.39169	0.5
478.27014	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2702
Annotation	Marcfortine A
Peak:m/z	Relative Intensity
52.44021	0.4
54.13542	0.4
70.02949	1.0
70.06593	2.8
70.27889	0.4
72.04508	1.8
72.08163	5.1
79.05498	0.8
79.42329	0.4
81.07047	0.8
83.08611	0.9
84.08154	25.4
85.01126	0.6
88.04001	38.4
91.05471	0.9
93.07053	0.8
95.04989	0.6
100.02193	0.4
101.00577	0.5
105.07062	0.4
107.04964	0.6
107.08606	0.8
111.02677	0.5
112.07637	0.7
113.10770	2.5
113.49000	0.5
114.09180	31.5
115.08736	1.6
119.08592	0.7
121.10132	1.0
122.02703	0.7
125.09643	0.6
125.10756	0.7
126.06622	0.7
127.02144	1.8
131.08569	0.9
131.11835	0.6
132.01169	0.8
137.09578	0.6
142.03239	0.6
143.11816	42.4
145.03195	8.2
148.11224	0.8
149.09605	4.4
156.11349	5.1
157.09740	2.4
165.00058	0.5
165.07253	0.7
170.02742	0.5
173.12654	0.7
173.13988	11.5
178.06320	0.5
181.06842	0.6
188.03850	2.5
197.14014	0.7
201.09480	0.7
211.04344	1.6
232.40112	0.4
239.15009	6.7
255.12741	1.0
261.19846	0.6
273.13806	2.3
298.07413	6.8
303.21875	1.9
355.21600	1.0
360.17068	0.9
361.63956	0.5
373.22800	2.9
432.15393	0.5
460.25989	4.7
461.24011	1.0
478.26996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.27
Annotation	Marcfortine A
Peak:m/z	Relative Intensity
51.45887	0.4
55.61605	0.5
60.86840	0.5
70.06586	3.0
72.04524	0.9
72.08157	1.3
75.10371	0.5
81.07088	0.6
83.08597	2.2
84.08153	25.3
85.01148	0.6
88.04002	20.5
101.00648	0.7
105.07057	0.7
107.08587	0.5
112.07600	1.1
113.10740	0.8
114.09177	28.3
115.08671	3.2
118.25890	0.5
120.26972	0.5
122.02734	0.8
124.02235	0.6
126.06606	0.6
127.02144	2.5
127.08640	0.7
131.08592	0.7
131.11829	0.7
143.11810	45.0
145.03194	9.7
148.11174	0.6
149.09628	3.5
156.11292	4.3
157.09718	3.1
163.05803	0.8
173.12752	1.3
173.14012	8.5
181.06718	0.6
188.03746	0.9
202.15808	0.7
239.15045	3.3
261.19684	1.3
273.13760	1.2
280.39279	0.6
303.21725	0.9
373.22601	2.8
391.23788	2.2
415.23767	0.8
443.22827	0.6
460.26053	2.2
461.24298	2.4
478.26962	100.0
482.81696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
57.03453	0.4
66.59192	0.4
70.02943	0.9
70.06603	3.4
72.04515	0.7
72.08167	5.5
79.05497	0.8
81.07053	0.8
84.08150	19.2
85.01096	0.5
88.03997	49.4
88.11274	0.6
91.05472	0.6
93.07048	1.7
93.52415	0.4
96.27678	0.4
97.01093	0.6
98.06047	0.8
99.02698	0.5
100.02221	0.5
105.07044	0.7
107.08588	1.8
109.06569	0.7
109.10155	0.6
112.07556	0.6
112.19827	0.4
113.00600	0.8
113.10787	0.7
114.09177	22.1
115.08704	2.1
119.08597	1.0
121.10145	1.6
125.04142	0.4
127.08682	0.8
131.08569	2.4
131.11783	1.0
132.01129	0.5
137.09622	0.7
143.11804	26.9
146.02541	0.5
148.11192	0.6
149.09633	1.6
151.05737	0.6
156.11374	0.6
157.09714	1.6
157.13303	0.5
163.05753	0.7
165.07335	1.7
173.12729	0.5
173.14014	2.9
183.08397	1.6
192.93874	0.4
193.13408	2.0
200.87857	0.4
201.09398	0.5
227.56313	0.4
233.65359	0.4
245.16600	0.6
287.04803	1.5
297.21945	0.5
306.13739	1.9
373.22617	0.5
389.22592	0.6
391.23703	5.0
434.22366	0.7
452.66290	0.4
461.24265	2.8
478.26971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70303	0.2
51.78909	0.2
53.00323	0.3
56.05026	0.3
56.89614	0.2
62.01063	0.2
69.03436	4.1
70.06599	0.5
71.08640	13.8
72.08151	1.1
74.06078	1.4
81.16505	0.2
84.08157	0.4
85.02936	0.4
86.09694	0.3
88.03985	0.3
88.11275	100.0
98.06050	0.3
105.26229	0.2
115.03934	6.8
115.79681	0.2
116.07109	0.3
123.04386	0.3
126.05549	0.4
127.03965	1.3
129.10220	0.3
132.10191	0.2
134.77576	0.2
138.05562	1.6
139.05862	0.3
141.61829	0.2
148.06038	0.5
148.46056	0.2
155.07019	2.3
165.00250	0.2
167.07062	1.7
168.06488	0.3
173.05965	0.6
187.07745	0.2
191.06989	0.3
193.32803	0.2
219.06308	0.3
263.09387	0.3
269.10379	0.5
281.10291	1.1
298.17093	0.2
299.11346	1.5
331.13959	0.3
478.20279	0.3
478.26483	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	478.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.05510	0.9
65.95004	1.0
66.85643	0.7
67.05501	6.4
69.03430	5.3
71.04980	1.1
72.08152	1.4
79.05481	6.9
81.03432	3.5
81.07067	23.5
83.08608	0.8
85.02912	14.9
85.06535	2.1
87.00819	4.1
90.10484	0.9
91.05476	3.6
92.17813	1.6
93.07045	30.6
95.05000	0.9
95.08605	41.1
97.02899	3.7
97.06536	1.4
99.04457	1.9
105.01862	3.6
105.07072	1.7
107.08600	9.9
109.02869	7.8
109.10167	3.5
114.79894	0.9
117.07011	5.1
117.44257	0.8
119.08585	1.9
121.06503	9.2
121.10157	3.4
127.03915	10.5
131.08580	3.4
133.10143	16.0
135.08066	11.0
135.11699	100.0
139.07547	4.6
145.04982	3.8
149.09618	1.4
149.13242	13.5
153.09116	3.8
159.02893	2.0
159.11699	27.8
173.79738	0.9
177.12750	70.6
195.13815	98.9
211.16942	1.3
213.14864	78.6
286.00143	0.9
411.16983	1.7
453.17957	1.1
477.72684	1.0
478.23340	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	478.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.3
64.30748	0.7
67.05520	1.0
69.03424	4.5
69.07085	1.3
71.04980	1.6
72.08167	1.2
73.02875	0.8
74.70139	0.7
79.05491	5.4
79.49770	0.8
81.03405	0.9
81.07063	100.0
83.35238	0.7
85.02903	12.3
85.06550	1.4
86.09689	1.0
87.00822	4.6
91.05473	3.7
93.07047	12.0
95.08604	12.5
97.02874	5.6
97.06516	3.7
99.04451	1.8
101.06003	3.5
105.01873	16.6
105.07018	1.5
107.08571	10.5
109.02880	5.5
111.04379	0.8
119.08598	2.0
119.62727	0.8
121.06512	1.3
121.10160	5.8
123.11549	1.0
127.03911	11.1
131.08604	0.9
133.10143	7.7
135.08099	1.8
135.11696	40.9
139.07561	1.6
145.04948	3.6
149.09650	1.1
149.13274	13.4
159.02948	1.2
159.11687	17.7
175.11259	1.0
177.12743	31.7
195.13803	84.8
212.16458	1.2
213.03873	0.8
231.05029	6.8
249.06012	7.3
267.13742	0.9
274.96057	1.1
284.09872	7.2
366.45636	0.9
407.17053	1.6
478.25690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	2.3
58.15547	1.0
60.08164	6.6
60.10952	1.0
60.65027	1.0
60.81502	1.1
66.11352	0.9
68.32924	1.0
70.06583	7.3
72.08160	20.2
84.08144	6.9
89.10767	5.9
92.18324	1.5
99.05173	1.1
115.03281	1.8
115.08720	1.1
120.20615	1.0
125.01695	1.4
126.02473	5.8
127.03296	16.3
127.08676	1.4
141.04794	1.6
143.02800	7.5
151.03256	1.4
157.06648	1.4
161.02336	10.9
163.03940	8.1
178.04971	2.2
185.09827	66.8
186.10585	11.7
186.62640	1.1
202.05014	2.4
228.06587	11.6
232.09621	2.0
236.15018	1.3
245.03847	2.1
249.07037	2.3
249.12270	2.2
250.13091	8.8
251.13866	1.4
259.05344	6.0
261.06934	7.6
270.08774	4.6
275.04825	8.3
277.06412	9.0
287.04852	89.8
303.04190	4.3
304.07550	2.4
357.45901	1.3
358.12131	1.7
373.13196	5.6
375.14713	8.8
391.14331	26.6
402.40457	1.3
419.13846	12.5
434.22229	47.8
478.21198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63309	0.9
53.33310	0.8
58.06588	2.1
60.08178	1.1
69.99725	0.8
70.06594	9.9
72.08167	22.7
83.07349	1.6
84.08147	25.3
89.10787	7.0
95.06079	1.4
97.02885	1.8
98.06051	1.6
101.10797	13.0
114.02476	1.7
115.03286	12.3
115.08673	1.7
116.93722	0.9
123.04416	1.1
125.01700	9.9
126.02501	6.1
127.02371	1.9
127.03265	38.4
127.08636	1.9
136.05212	1.1
136.06163	1.3
137.05998	1.7
138.05525	1.1
143.02751	1.7
149.00639	1.0
153.05449	2.2
161.02328	1.6
163.03906	21.1
169.04973	1.1
177.05469	6.8
178.05002	3.6
185.09871	11.3
186.10591	1.5
192.10236	1.9
192.99544	1.4
195.06558	1.3
196.28966	0.9
202.06676	1.0
227.08167	13.1
228.06746	1.5
228.08910	4.9
232.09538	1.8
233.10474	1.3
234.11235	4.0
249.06940	13.2
249.12292	2.2
250.13152	7.6
251.14008	1.5
251.97095	1.4
259.05435	6.0
261.06918	40.9
263.13855	7.4
275.04889	15.3
277.06680	1.5
287.04837	37.9
303.04111	1.4
304.07587	1.9
316.08450	1.5
357.11646	1.0
373.13315	2.1
375.14932	11.2
391.14267	3.6
419.14001	4.0
434.22244	67.2
478.21155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45622	0.8
52.96540	0.8
54.05292	0.8
55.05507	0.9
56.93830	1.1
58.06603	5.6
60.08174	7.1
70.06596	7.6
72.08164	20.0
84.08140	6.4
86.09706	1.3
89.10805	9.3
98.06072	1.9
101.10780	2.4
115.03269	1.3
126.02486	6.9
127.03253	17.4
137.10730	1.7
141.04823	1.6
143.02757	6.7
149.23244	1.2
156.07767	1.1
161.02357	16.6
163.03969	5.4
178.04988	6.7
181.08034	1.3
185.09821	82.8
186.10542	18.2
192.10281	1.3
201.07932	1.2
202.05023	2.3
206.04851	1.1
228.06621	11.7
229.07219	1.5
233.10587	1.2
234.11354	1.4
236.14793	7.3
237.15273	4.7
245.03802	4.1
249.07011	2.1
249.12431	3.9
250.13092	11.1
251.13904	1.9
259.05353	9.1
261.07010	4.9
264.15350	1.2
270.08865	2.5
275.04883	6.6
277.06473	12.3
287.04840	100.0
303.04456	5.5
356.10611	2.3
358.12454	1.4
373.13162	7.0
375.14984	10.6
391.14362	24.0
419.13721	17.5
434.22214	47.2
478.21234	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94577	1.3
55.09470	1.2
58.06615	14.9
60.08155	2.5
70.06590	6.1
70.73154	1.2
72.08162	9.9
83.05651	1.6
83.06103	12.3
84.08146	52.4
85.02903	2.0
95.06088	2.0
104.19167	1.4
112.08723	2.4
120.08146	14.7
127.03184	1.9
127.05017	8.7
138.94574	1.5
139.05066	3.3
140.25516	1.5
166.08661	7.5
185.09796	2.9
192.99541	17.2
214.07329	10.1
227.08119	1.6
233.03990	2.2
244.64088	1.6
247.05325	23.1
259.05414	7.2
260.95969	1.5
261.06863	2.6
275.04892	37.2
276.08029	1.7
287.04886	19.9
292.07559	2.1
304.07733	5.3
344.10663	9.6
346.12225	10.8
358.12216	9.2
365.71786	1.7
373.13354	16.0
375.14828	48.0
391.14468	2.7
419.13989	3.3
434.22293	57.5
475.35794	1.6
478.21198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61839	0.5
65.32874	0.5
69.03416	2.2
70.02951	3.8
70.06580	2.2
72.08150	1.1
74.06084	0.7
81.03435	0.7
84.04508	0.8
84.08131	2.8
85.02914	4.2
88.03996	100.0
97.02905	0.9
109.62747	0.6
114.09157	2.2
115.03923	2.8
117.99584	0.7
131.15973	0.5
138.05501	0.8
143.11790	4.1
144.53911	0.5
149.09579	0.5
153.05458	6.0
154.08693	2.7
163.03882	4.3
177.05446	1.9
178.06235	4.7
179.01587	4.6
195.06551	2.3
208.46338	0.5
209.02621	6.5
211.04227	13.0
267.29053	0.5
298.07535	5.0
331.14096	0.9
434.17023	1.2
439.48010	0.6
460.12686	28.2
478.20441	1.1
478.26880	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	478.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79343	0.4
54.53923	0.4
55.05522	0.5
58.06613	16.4
60.08154	0.6
70.06600	6.2
70.40821	0.5
70.47577	0.5
72.08156	6.0
82.92407	0.5
84.08151	41.7
86.09715	1.0
95.06088	0.5
98.06089	0.6
115.17547	0.5
126.02560	0.6
127.03262	1.0
159.18661	0.6
163.03864	0.9
178.05142	0.7
185.09903	2.5
214.07336	10.5
215.08200	4.5
216.06558	4.4
226.07329	3.9
227.08145	1.8
228.06606	2.2
228.08928	0.9
229.07460	1.0
237.08366	0.6
243.18204	0.9
247.05363	32.2
249.07050	0.7
259.05276	9.4
261.06949	2.2
274.06454	1.8
275.04855	36.3
276.07968	2.4
286.06497	2.8
287.04880	9.2
292.07465	3.4
303.04224	0.5
303.09122	1.3
304.04514	1.1
304.07550	4.7
333.10291	0.6
344.10593	10.9
346.12195	11.6
358.12198	8.7
373.13281	19.1
375.14859	62.3
391.14499	3.6
419.14023	9.4
434.22260	47.1
478.21216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35784	0.3
60.89496	0.3
70.02959	5.0
70.06591	0.5
72.08149	0.7
73.91770	0.4
81.03449	0.4
84.08176	0.5
85.02926	3.9
88.04000	100.0
97.02924	0.7
117.99638	0.6
121.02873	0.4
133.02904	0.5
161.05934	0.5
161.24283	0.4
162.03798	0.5
163.03908	1.9
165.00052	3.0
165.05487	0.4
177.05492	0.8
178.06224	3.5
179.01611	3.3
188.54721	0.4
191.07021	0.5
209.02669	3.8
211.04288	5.8
298.07443	36.2
316.10388	0.4
340.03979	1.3
370.04633	0.4
460.12405	2.9
478.13937	2.7
478.21268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3193
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
50.60143	0.5
60.60764	0.6
78.10457	0.6
86.31675	0.6
95.45257	0.7
343.19562	5.2
396.51852	0.8
445.29321	4.4
470.81937	0.8
477.31906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2853
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
54.53888	1.4
55.01889	3.4
55.05523	19.7
57.03440	2.9
67.05504	20.6
69.03435	8.7
69.07083	9.7
70.06596	1.7
70.16296	1.6
70.99918	1.5
71.05014	2.8
76.72940	1.6
79.05512	20.2
81.03423	10.8
81.07066	28.2
83.04986	10.0
83.08624	18.2
84.04533	1.9
85.02890	6.6
85.06537	3.6
91.05479	12.2
93.07053	20.7
95.04996	14.8
95.08590	16.3
97.06561	8.5
97.10172	43.9
99.08118	3.4
105.07020	12.2
107.04959	18.8
107.08605	26.3
109.02930	2.8
109.06535	6.6
109.10178	27.9
111.08104	2.5
111.18535	1.7
117.07054	7.2
119.08587	9.4
121.06503	19.8
121.10149	9.7
123.08108	7.4
123.11735	7.3
125.05980	2.3
125.09636	39.0
127.11216	3.6
129.06996	3.2
131.08559	13.1
133.06552	3.1
133.10136	9.6
135.08095	7.9
135.11705	9.8
141.06993	1.7
141.55701	1.8
143.08614	3.4
145.06512	11.1
145.10202	10.4
147.04477	2.4
147.08084	10.1
147.11739	8.6
149.09627	3.5
149.13287	3.0
151.11153	2.2
153.09166	9.0
153.12737	2.9
157.06517	2.9
157.10168	3.7
159.08139	2.5
159.11691	3.1
161.09630	2.6
161.13312	2.3
163.03970	3.5
163.11247	3.7
165.09096	12.4
167.07047	2.0
167.14397	9.3
169.10146	3.1
169.12308	8.2
171.08041	3.5
171.10251	3.0
171.11700	6.7
173.09604	5.8
173.13362	2.2
175.07513	2.6
175.11176	3.9
185.13293	3.9
187.11275	3.5
187.14906	2.0
189.11249	9.8
189.12793	3.5
191.10620	3.2
193.12320	8.8
193.15936	3.8
199.11269	2.7
203.10883	2.1
211.15257	2.0
211.16901	14.8
215.14381	3.8
227.12662	2.1
229.18001	30.2
233.13252	1.8
233.15439	9.0
235.13364	2.0
273.15048	7.6
311.12918	3.1
349.21582	3.7
357.24445	2.6
367.22739	27.5
385.23727	48.3
403.24838	21.2
405.15250	2.0
441.26184	3.1
459.21127	3.3
459.27496	92.6
477.28473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
57.03448	0.5
57.07084	0.5
61.02930	0.5
61.51674	0.3
67.05511	0.8
69.07059	2.4
69.70356	0.4
71.08619	0.4
79.05477	0.6
81.07053	0.9
83.08600	1.8
84.06038	0.4
85.09538	0.3
89.03938	0.5
93.07017	0.6
94.52448	0.4
95.08603	2.2
97.10168	0.5
109.10143	0.5
117.03374	4.3
121.10146	0.8
125.62466	0.5
133.62085	0.4
145.02856	40.0
149.06021	2.1
164.44527	0.4
177.05475	100.0
183.25380	0.4
315.27921	0.5
342.39825	0.4
375.39117	0.4
477.28403	17.5
477.34445	0.9
485.07736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.9
55.05282	1.3
55.05523	20.2
57.03434	4.6
64.23471	1.0
64.34315	1.2
67.05182	1.4
67.05511	24.9
69.03422	5.8
69.07065	6.7
71.04971	1.3
79.05503	24.1
81.03403	6.1
81.07066	18.4
83.04986	2.4
83.08633	16.3
91.05483	11.7
93.07058	13.2
95.04991	10.1
95.08620	11.7
97.06519	5.6
97.10176	44.5
102.05184	1.1
105.03332	1.2
105.07030	11.8
107.04965	20.9
107.08596	21.1
109.06514	6.2
109.10166	12.3
111.08103	2.4
117.07013	6.5
119.08585	12.0
121.06506	14.2
121.10133	5.3
123.08060	8.0
123.11739	1.6
125.05975	2.2
125.09641	41.6
129.07019	6.5
131.04903	1.5
131.08575	10.0
133.06482	6.1
133.10120	8.2
135.08058	10.8
135.11690	2.2
137.05972	1.7
139.07635	1.1
141.07004	1.6
143.08517	4.4
145.06465	13.5
145.10144	7.5
147.04385	1.9
147.08081	9.0
147.11688	7.1
149.05904	1.9
149.09647	2.5
153.09113	8.8
153.12740	1.4
155.08488	1.5
157.06497	1.9
157.10123	6.5
159.08081	2.5
159.11674	5.3
161.09607	4.4
163.11177	6.4
165.12659	1.4
167.07123	1.6
169.10083	4.6
171.08037	1.6
171.10168	4.1
171.11697	7.3
173.09601	2.0
173.13266	1.3
175.07625	1.2
175.11238	4.4
177.12758	2.3
181.10086	1.7
185.09605	1.5
185.13257	1.6
187.11139	2.2
187.14807	1.7
189.09419	1.8
189.11214	11.4
189.12794	4.2
193.12218	4.6
195.11746	2.5
197.13271	2.2
199.11110	3.7
199.14789	1.0
205.12233	1.7
213.12784	1.9
215.14255	4.7
217.12199	3.7
227.12617	2.3
231.13863	2.4
233.13284	1.3
233.15334	8.0
237.12776	1.7
241.14302	1.6
255.13843	1.9
257.15323	1.2
259.13202	1.1
267.15759	1.7
273.14841	13.4
275.16534	1.4
287.16400	1.4
295.10181	1.1
301.38516	1.0
307.67969	1.1
331.52719	1.0
335.79926	1.1
339.23239	4.1
349.21753	8.6
357.24411	3.5
367.22693	28.8
385.23749	55.2
391.51959	1.0
403.24777	19.4
423.24670	1.4
441.26266	7.6
459.27432	85.6
477.28461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65115	0.8
51.65961	0.6
60.18511	0.6
60.34225	0.6
63.06583	0.6
70.06593	5.3
72.08151	3.6
86.09709	0.9
97.06524	1.0
97.07637	3.8
100.32611	0.7
114.10277	1.4
131.12952	0.9
144.08090	23.4
145.06458	1.2
145.08989	1.0
160.07585	3.0
170.09644	100.0
171.10423	29.5
173.05876	1.1
186.09157	8.6
187.09956	1.7
201.13809	4.5
202.14658	44.6
244.13242	1.1
263.14233	0.9
287.21194	34.0
325.80280	0.8
334.24890	0.9
477.26257	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87445	2.1
55.05514	8.4
57.07065	2.4
59.46252	1.7
62.24162	2.2
67.05513	9.3
69.03433	4.4
69.07071	9.5
70.06590	12.6
71.05003	4.0
72.08153	19.2
74.24805	2.0
79.05487	7.9
81.03410	4.1
81.07066	21.7
84.08134	3.5
85.02914	13.1
85.06551	25.5
87.00836	2.2
91.05467	7.5
93.07033	28.3
95.04951	4.0
95.08619	49.3
97.02905	4.1
97.06528	3.0
97.07647	12.0
99.04474	9.5
99.08089	11.8
105.07021	19.7
107.08593	40.3
109.02872	3.0
109.10155	18.2
111.08084	3.8
113.05996	2.3
114.10322	6.9
119.08591	38.1
121.02897	2.1
121.10155	15.9
123.04404	2.6
123.11710	8.4
125.09637	14.1
127.03928	9.2
133.10136	42.2
135.11717	41.3
137.09641	12.7
143.07050	4.3
144.08086	7.3
145.06502	3.8
145.10106	2.2
147.11717	10.3
149.13242	2.9
155.10680	86.3
161.07115	2.8
163.03882	14.5
163.14822	60.2
167.06943	2.6
170.09642	38.1
171.10435	9.0
172.36998	2.1
173.05989	4.7
175.14818	63.7
181.15842	4.1
193.12286	3.4
193.15891	64.2
199.16966	4.4
202.14668	3.3
211.16940	68.3
229.17987	100.0
244.13394	10.3
269.08231	3.0
285.12378	2.0
327.23645	2.6
345.24677	12.9
373.19931	2.1
410.84088	2.8
423.19992	2.5
459.31534	3.5
477.17355	4.3
477.23886	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.3
57.06924	4.7
61.91997	4.3
76.45267	4.6
91.05485	7.2
103.05539	5.5
112.87366	5.9
121.06509	34.0
133.06485	5.7
134.03702	7.0
148.05087	5.5
149.06015	66.3
165.05420	5.5
167.07062	28.6
177.05467	35.0
181.04994	30.0
181.08556	54.0
191.07068	35.1
209.08087	100.0
223.09373	6.6
225.07664	5.2
245.08063	6.9
251.09135	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05513	10.4
57.03419	1.9
57.20829	1.5
67.05504	9.7
69.03423	8.6
69.07058	8.6
71.04980	3.0
72.08141	2.5
79.05505	13.2
81.03413	7.8
81.07066	17.0
83.04992	16.5
83.08612	10.9
84.04530	1.9
85.02910	10.0
85.06549	2.9
87.00844	3.0
91.05481	7.2
93.07034	9.6
95.04990	3.2
95.08595	14.1
97.02889	2.9
97.06516	3.9
97.10174	13.5
99.04459	2.3
99.08093	2.2
101.05992	2.3
105.07028	11.9
107.04964	30.0
107.08596	13.9
109.02854	2.4
109.10168	25.9
111.08070	3.6
117.07024	2.6
119.08585	3.9
121.06507	3.1
121.10152	7.9
122.09607	1.9
123.04480	1.8
123.11726	8.7
125.05984	2.0
125.09637	17.9
126.03703	1.7
127.03931	6.3
127.11214	13.5
131.08597	8.0
133.10129	8.5
135.11682	11.2
137.09552	2.4
145.06482	8.3
145.10136	7.3
145.33588	2.0
147.08058	3.5
147.11682	8.3
149.13242	2.9
151.11151	2.8
153.12773	2.9
157.06493	8.6
157.10130	2.9
159.11635	1.8
161.05988	2.5
161.13321	2.0
163.04048	1.9
165.09126	7.7
167.07043	98.5
167.14345	12.5
169.12305	18.0
170.09624	3.2
171.10211	1.7
171.11676	3.2
173.05957	2.7
175.14809	2.8
177.05528	2.5
181.04948	79.4
184.05217	2.2
185.15417	4.1
187.07561	7.0
188.10643	2.7
189.11089	2.2
189.12730	2.5
191.10631	2.6
193.15872	8.8
195.06586	2.1
201.05482	4.3
203.07043	2.5
205.08667	6.1
209.15338	3.9
211.16907	29.4
217.08632	3.0
217.12199	2.1
218.05717	6.9
219.10156	3.2
229.17989	80.1
233.05913	2.1
233.08067	58.0
235.09633	13.6
245.08093	100.0
263.09167	28.3
264.07776	2.2
273.15070	2.2
292.07407	3.0
307.09711	3.5
331.08075	2.5
339.12479	2.8
346.10541	2.3
351.08249	1.8
367.11816	3.3
367.22510	3.6
385.23972	12.6
387.14432	10.0
399.14420	17.8
403.24530	3.7
417.15433	10.7
417.30255	2.0
459.16754	21.5
459.27679	19.5
477.17883	2.1
477.28314	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	477.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52508	6.4
67.82960	6.8
85.02888	8.6
93.07049	31.6
114.09161	15.0
120.08913	9.3
133.10136	39.8
134.10463	31.8
142.73055	8.3
148.12148	6.8
167.07037	50.5
185.05937	8.5
202.06293	10.5
217.08572	90.7
231.08072	12.7
233.08195	12.5
234.06792	13.4
243.05211	9.3
245.08127	51.1
259.19153	8.6
276.07849	12.2
277.08636	11.7
293.07980	28.4
294.08939	28.8
305.08026	8.2
306.08929	10.4
307.09470	9.9
321.07437	13.4
321.11325	9.3
322.08356	12.1
329.10254	14.0
334.08148	9.1
337.10681	93.9
353.10153	8.0
367.11652	34.8
368.12582	10.7
369.13318	100.0
381.13501	29.8
399.14328	74.6
417.15414	30.3
441.15771	14.5
477.32108	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	476.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08908	0.8
54.30547	0.8
55.57633	0.8
60.34429	0.8
61.69263	0.9
65.87634	1.1
70.06587	1.2
87.04469	8.1
89.06040	100.0
92.18442	1.4
107.07064	1.1
133.07660	1.8
133.08621	40.0
160.07603	4.0
161.07948	4.8
167.55725	1.0
175.09534	1.3
177.11229	12.9
186.09181	10.6
187.09508	12.8
188.09888	6.0
189.10312	3.9
219.14403	1.4
221.08318	1.0
221.13829	2.3
265.16385	1.0
353.21689	1.2
371.22708	1.6
378.29248	1.2
459.28018	70.6
476.23746	22.8
476.30664	14.8
482.45462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1395
Annotation	Onogenin 7-O-glucoside
Peak:m/z	Relative Intensity
55.05503	0.2
57.03436	0.1
61.02893	0.2
61.17948	0.1
65.23782	0.1
65.47092	0.2
67.05487	0.2
69.03423	1.4
70.06567	0.9
72.08122	1.1
72.30436	0.2
74.35001	0.1
81.03413	0.2
81.07042	0.3
84.08124	0.4
85.02903	2.1
85.06515	0.3
86.09708	0.2
95.04974	0.2
95.08575	0.3
97.02866	0.8
98.03488	0.2
107.04959	14.3
107.08594	0.2
119.04910	0.8
121.02876	4.5
123.04343	0.3
125.09638	2.2
131.04951	1.4
133.10056	0.2
135.04427	0.2
135.11719	0.2
137.02350	0.2
137.09604	0.3
145.02803	0.6
147.04414	15.4
151.03931	0.4
163.03906	1.8
167.02113	0.2
167.03404	3.1
175.03911	14.6
175.14876	0.3
176.04706	2.2
177.01830	3.1
177.05412	1.1
178.78770	0.2
193.15848	0.4
195.02919	2.0
195.08067	0.6
199.07509	1.9
205.06500	0.4
211.17014	1.2
213.09059	1.1
223.07535	3.0
226.06093	0.2
227.07031	0.3
229.17952	0.2
233.05911	0.8
241.06360	0.3
241.08604	6.6
251.07019	5.8
253.08649	0.3
256.32568	0.2
269.08078	100.0
279.06522	4.7
279.17389	0.2
297.07581	91.3
315.08618	27.3
468.57370	0.2
476.74121	0.3
477.23581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84175	1.4
51.86736	1.1
52.03292	1.1
54.57099	0.9
55.05522	5.3
57.03438	5.8
58.04678	1.2
67.05515	22.1
69.07070	6.1
79.05495	9.1
81.07064	28.5
83.08620	1.7
84.22292	1.3
91.05486	5.4
92.98671	1.7
93.07041	19.3
95.08611	21.1
105.07016	3.0
107.08600	7.9
109.10161	7.4
114.86607	1.4
119.08550	2.3
121.09343	1.4
121.10133	2.8
123.11673	1.4
131.08577	1.5
133.10117	2.3
135.11679	2.8
145.10097	1.7
152.15681	1.3
166.26129	1.5
241.60367	1.4
255.37114	1.2
278.56674	1.2
314.28763	1.4
335.25818	100.0
398.55270	1.3
476.27625	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	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53830	1.4
55.05520	3.9
57.03442	2.9
57.66944	1.4
58.30970	1.3
60.37029	1.4
61.18911	1.5
62.05801	1.8
62.06102	41.8
64.80621	1.5
66.31192	1.7
67.05515	26.0
69.07068	9.3
71.05044	1.5
79.05151	1.4
79.05514	17.7
81.07079	28.6
83.08619	3.8
91.05475	7.4
93.07050	23.2
95.08616	25.3
98.98486	3.9
105.07035	7.2
107.08634	11.8
109.10148	12.4
119.08614	3.6
121.10208	12.2
123.11717	2.5
127.15245	1.8
131.08598	2.1
133.10130	4.1
135.11697	9.2
147.11736	3.0
149.13243	2.3
161.13219	2.3
189.73055	1.5
190.00339	1.5
216.06393	1.8
261.22241	3.1
304.22903	1.9
304.26169	11.9
335.25809	100.0
392.06500	1.8
415.22614	3.6
458.26767	45.8
464.87131	2.7
473.33136	1.9
476.21396	3.4
476.27728	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	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
56.62328	1.9
64.05579	1.8
67.05505	4.9
67.36103	1.7
69.03432	10.7
69.07054	4.6
72.28426	1.8
79.05495	3.4
81.03428	8.1
81.07059	8.2
83.04974	8.9
84.04507	4.2
85.02908	40.3
85.06541	11.8
86.88861	1.9
87.00832	12.8
93.07040	8.6
94.34552	2.2
95.04951	2.3
95.08620	15.9
97.02885	12.6
99.04424	4.5
102.05544	4.6
105.01872	20.0
105.07055	14.2
106.07374	2.9
107.08585	11.5
109.02884	17.6
109.06533	3.9
109.10164	22.0
110.10466	2.0
118.99530	2.1
119.08578	16.5
121.10159	23.6
122.09689	4.4
123.10046	2.9
123.11704	4.4
125.09621	14.1
127.03923	30.5
130.05009	3.7
131.08569	2.8
133.10143	32.5
135.11667	26.1
137.09618	21.8
138.09973	8.5
145.04993	4.4
145.10155	1.9
147.11681	3.1
148.06061	2.4
149.13174	3.9
151.11215	2.7
151.14822	11.6
159.02899	3.0
161.09560	15.6
161.13269	2.1
162.09962	10.0
165.09137	11.5
165.16357	3.0
166.09509	3.5
173.13173	2.2
175.14807	51.5
193.15878	100.0
208.10500	2.2
211.16933	38.1
213.03922	2.6
231.04961	4.6
233.12991	2.7
234.13237	4.8
239.17944	2.1
251.13945	7.6
252.14287	4.6
265.21780	2.1
273.22250	2.4
274.22333	2.6
376.24588	1.9
397.23233	2.1
423.20062	11.5
440.26370	2.1
441.21222	15.6
476.24393	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	476.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.8
56.99101	0.6
57.07076	0.7
60.95506	0.7
67.05495	1.0
69.03436	1.5
69.07060	4.6
70.06582	1.3
72.08157	1.7
73.23492	0.7
73.40561	0.9
74.89503	0.8
81.03416	1.1
81.07052	3.7
83.08633	0.8
84.04520	0.8
84.08167	1.0
84.17799	0.9
85.02901	4.7
86.06071	1.3
91.05490	1.4
93.07038	2.9
95.04932	0.9
95.08604	10.5
97.02914	0.9
99.04442	1.1
105.01855	1.1
105.07023	7.3
107.08592	4.2
109.02861	1.6
109.06503	1.4
109.10155	11.7
114.09165	6.4
119.08579	32.1
121.10139	3.1
123.11713	1.0
123.64643	0.7
124.69241	0.9
127.03909	3.2
131.08582	0.8
133.10133	30.5
135.11716	5.1
137.09604	3.8
147.11684	7.3
149.13281	1.4
151.03860	1.1
151.14821	1.9
163.03844	1.9
165.09102	1.1
167.07082	1.1
175.14815	100.0
177.16370	1.2
193.12204	1.4
193.15877	20.6
193.17448	1.5
228.16321	0.7
430.93033	0.8
458.25238	0.9
476.21402	1.8
476.36060	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	476.2488
Annotation	Epothilone C6
Peak:m/z	Relative Intensity
50.59807	0.5
55.05524	4.8
57.59358	0.4
67.05518	0.7
69.03422	3.5
69.07079	11.2
70.06606	0.8
71.04990	1.1
72.08163	0.9
73.02899	0.9
79.05491	1.1
81.03414	3.0
81.07058	7.2
81.15578	0.6
83.08633	3.3
85.02907	11.1
86.09680	0.7
87.00833	2.7
88.93376	0.6
91.05477	3.0
93.07046	3.6
95.08615	9.1
97.02896	4.8
99.04433	1.2
105.01867	5.1
105.07042	18.3
107.08607	13.9
109.02866	4.1
109.10187	4.0
111.09222	0.5
114.09140	0.6
115.03968	0.6
117.07024	0.5
119.08587	76.8
120.08021	0.6
121.10166	5.2
122.09530	0.5
123.11732	4.2
125.09661	3.1
126.12052	0.6
127.03927	9.1
131.08575	0.8
133.10141	25.3
135.08040	0.7
135.11722	3.2
136.06210	0.6
138.36850	0.5
144.39008	0.6
145.04987	3.6
147.11708	7.0
148.06158	0.6
149.13252	0.8
159.02911	1.3
159.11739	0.8
161.13284	0.9
165.09062	1.3
173.13190	1.1
175.14827	100.0
193.12209	0.7
193.15892	8.0
211.17001	2.8
231.04938	1.0
235.74480	0.6
247.71848	0.6
249.06065	2.6
250.14418	0.8
274.22623	0.6
301.09558	0.7
313.77643	0.6
315.07156	0.9
319.10120	1.2
405.18839	1.0
423.20160	0.9
476.26270	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05507	1.4
62.06107	1.0
63.16767	0.9
67.05486	2.3
67.80088	1.1
69.03430	8.0
69.07059	1.5
70.06599	1.2
71.04965	1.1
71.08620	6.3
72.08167	1.7
73.07630	1.1
79.05495	2.3
81.03405	2.4
81.07096	8.8
81.07475	1.2
84.04499	1.4
85.02568	0.9
85.02921	12.9
85.04102	1.1
85.06544	2.2
86.06074	16.4
87.00816	1.9
87.04455	1.8
90.43892	1.2
91.05499	1.1
93.07040	7.7
95.04993	2.3
95.08613	5.6
97.02879	5.8
97.06506	2.8
99.04431	2.0
99.08099	6.3
105.01914	1.2
105.07047	13.3
107.08595	4.6
109.02903	4.4
109.06532	2.3
109.10156	2.9
111.08080	1.8
116.10722	6.9
119.08588	13.4
121.10133	2.8
127.03909	6.7
127.11193	1.3
133.10139	14.7
135.11784	1.3
137.05980	4.7
145.04918	1.7
147.11688	22.2
152.10608	1.6
157.10147	1.8
159.37016	1.1
170.09473	1.3
170.11707	1.6
173.02303	1.3
175.11171	10.9
175.14899	1.6
180.10167	2.4
193.12238	15.7
198.11264	100.0
201.13951	2.1
205.62817	1.3
215.06947	4.3
216.07413	6.1
216.12302	50.6
220.46838	1.6
250.14534	2.6
260.11331	1.6
279.04663	1.4
314.19650	9.1
360.16568	19.5
378.17661	7.8
444.18460	4.8
476.24835	16.9
476.31235	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	476.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85187	0.5
55.05512	3.6
64.43222	0.5
69.03439	0.8
70.06601	2.6
71.04990	4.3
72.08136	1.0
79.05492	1.1
81.07063	1.5
83.04983	1.0
85.02908	3.6
87.00821	0.8
91.05476	5.8
93.07046	14.5
95.04983	0.7
97.02888	1.3
99.04449	3.0
101.06010	0.9
105.01890	2.2
105.07040	40.7
107.08585	2.5
109.02853	0.7
113.06004	0.8
119.08582	22.9
120.86380	0.6
121.10210	0.6
127.03926	3.7
131.08553	2.3
133.10136	100.0
142.07777	2.5
145.02902	0.7
145.10141	1.2
147.11690	26.4
151.07549	3.5
157.10115	5.8
163.03891	3.0
165.05423	0.7
175.11209	13.1
175.14795	2.3
193.12245	52.1
198.11263	1.0
222.11301	0.9
249.06157	1.0
251.78041	0.7
284.09982	0.8
321.29599	0.7
341.89697	0.6
467.22302	1.0
476.21152	1.3
476.31055	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	476.2499
Annotation	Epothilone C6
Peak:m/z	Relative Intensity
55.09391	0.9
58.06589	1.4
69.03416	2.0
71.08643	8.3
74.91676	1.0
81.03418	1.9
81.07058	5.3
83.05027	1.5
85.02904	7.1
86.06070	23.7
91.05462	1.9
93.07050	2.3
95.08562	1.9
97.02907	1.9
97.06518	1.1
98.09703	1.9
99.08087	5.8
100.07616	1.5
101.02414	1.3
102.05558	1.5
102.09193	28.8
103.09515	8.3
105.07029	9.7
107.08595	1.8
108.55849	1.0
109.02867	1.3
109.06535	2.6
109.10159	6.0
116.10752	9.3
119.08595	8.8
121.10162	1.4
127.03947	2.3
130.05000	1.7
131.08604	1.3
132.70634	1.1
133.10135	32.1
135.11703	5.4
137.05983	4.6
137.09642	4.3
138.09076	1.0
142.12268	1.3
143.10704	9.9
145.04938	1.6
145.78333	1.1
147.11740	8.7
148.06067	1.9
157.10182	2.1
167.17485	1.0
170.11772	4.7
171.10095	1.2
175.11057	1.3
175.14859	4.0
180.10298	4.3
191.14285	1.8
193.00348	1.2
193.12250	14.7
193.15860	4.2
198.11270	100.0
211.16942	12.2
216.12321	60.6
314.19629	63.0
316.89771	1.2
360.16534	6.9
378.17542	4.4
422.24817	1.3
426.21768	1.3
440.26654	1.8
476.24152	4.9
476.29465	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	476.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83725	0.3
59.84232	0.3
60.04517	0.5
60.05666	4.0
69.03437	0.7
70.06592	1.8
71.08628	0.6
71.39131	0.3
72.08138	1.7
76.82637	0.3
81.03426	2.3
84.04514	10.2
84.08165	0.4
86.09715	2.6
88.11275	5.5
93.56961	0.4
95.81003	0.3
96.04491	6.2
97.02905	2.4
97.08977	0.3
98.06062	6.7
99.04435	0.7
102.05559	9.2
102.06215	0.4
109.02900	2.9
111.05574	0.7
113.07151	0.6
115.08669	0.5
116.07089	8.8
117.78218	0.3
126.05522	18.9
127.03917	1.8
128.07080	0.4
130.05013	9.0
132.04475	1.4
138.05511	100.0
138.33876	0.3
144.06570	24.2
144.13838	0.3
147.44206	0.3
148.06058	29.3
152.93134	0.4
168.06557	18.1
173.12885	1.9
175.31319	0.4
186.07622	15.1
188.09204	0.4
198.09894	1.9
230.10284	1.3
245.80553	0.4
258.09735	0.8
270.08667	0.4
273.10846	0.6
291.11868	15.1
301.13928	13.9
329.13434	34.6
346.13632	0.4
382.87762	0.5
383.34985	0.3
458.17349	0.7
476.18436	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	476.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71467	0.1
54.98206	0.1
55.01876	0.3
58.06613	1.5
60.05664	0.1
70.06601	0.6
72.08165	1.4
73.80439	0.1
74.06098	0.1
79.05488	0.6
84.04531	0.2
84.08151	0.8
85.02930	0.4
86.09708	0.9
91.05508	0.5
91.78999	0.1
95.43533	0.1
98.06096	0.2
100.02219	0.5
103.05464	0.8
105.07045	18.1
115.05467	2.9
115.08739	0.1
118.04156	0.3
119.08634	0.1
120.35748	0.1
122.02785	0.9
127.03909	0.2
127.08754	0.1
129.10269	0.3
131.04932	0.3
133.06503	36.6
138.05496	0.5
143.04929	0.9
143.06070	2.4
146.02681	0.3
148.06110	0.2
148.88377	0.1
153.17715	0.1
154.84241	0.1
161.05983	100.0
184.17516	0.1
193.08617	61.2
227.07405	0.2
247.05371	6.9
257.03781	0.2
259.05356	5.4
259.07932	0.2
271.07150	0.3
273.03159	0.2
275.04919	0.9
284.05099	0.3
284.07986	1.5
285.03220	1.0
303.04379	0.6
305.06012	0.2
314.10617	1.9
318.12842	0.2
324.13495	0.5
341.16119	0.8
371.11691	0.2
373.13177	0.3
389.12405	0.2
397.45096	0.1
417.06415	0.1
417.12073	0.5
432.20731	2.5
475.74301	0.1
476.19455	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	475.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.3
55.05511	3.6
57.03442	20.5
57.06834	2.5
57.07086	51.2
60.09488	1.7
60.87277	2.1
61.02641	2.8
61.02934	52.4
67.05496	13.8
69.03432	19.4
69.07071	11.5
71.08632	37.4
73.02930	25.0
74.51508	1.8
74.83221	2.1
81.03424	12.5
81.07062	22.1
81.86717	2.0
83.08625	16.9
85.02907	51.1
85.10184	30.4
91.03969	32.5
95.08607	30.4
97.02903	53.2
97.10174	9.6
99.04446	11.4
101.02399	11.3
103.03971	5.1
107.46862	2.0
109.02873	12.8
109.10187	17.8
112.81854	2.2
113.86299	1.8
114.40072	2.1
114.74387	2.2
123.11703	3.1
127.03943	21.4
127.20010	1.9
145.04991	3.0
157.88647	2.0
173.86504	1.9
183.06572	2.7
201.07605	4.5
239.23715	21.2
293.85452	2.5
313.27371	95.5
314.69751	2.2
341.26819	3.3
351.37329	2.3
355.28131	2.8
457.31705	13.7
475.32730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	2.3
55.45744	2.3
57.03439	12.3
57.07085	22.1
58.06601	12.8
59.07384	2.2
60.08173	4.0
61.02940	24.5
67.05500	9.3
69.03432	7.9
69.07076	2.3
71.08631	15.1
71.84243	1.8
73.02914	11.9
81.03436	3.0
81.07058	12.1
83.08630	4.5
85.02921	30.9
85.10184	14.1
87.04446	3.1
87.47208	2.0
91.03954	11.9
95.08620	15.4
97.02890	19.3
97.10140	2.5
99.04449	2.6
101.02372	8.5
101.29946	1.9
105.07069	2.4
107.70773	2.2
109.02908	3.0
109.10148	3.9
123.11733	2.7
127.03934	8.0
144.10216	10.1
145.10629	1.9
162.11258	3.0
186.11337	2.3
236.14938	100.0
236.17253	4.3
237.15250	66.1
239.23764	8.1
248.34824	2.0
273.08905	2.1
291.41772	2.1
295.36224	2.0
313.27362	33.6
337.63132	2.0
392.11777	2.0
457.31442	4.7
457.37170	16.0
475.32407	43.7
475.38342	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48446	0.4
60.13403	0.4
66.89265	0.4
69.07076	1.7
70.06609	5.0
71.05154	0.5
72.04526	2.4
72.08158	7.2
79.05508	0.5
81.07066	0.6
83.08645	0.8
84.08156	32.8
86.09736	3.8
91.05463	0.8
93.07059	0.8
94.06574	0.5
98.09702	1.1
101.10800	0.5
105.07068	2.1
105.36208	0.5
107.08600	1.0
109.10199	0.9
112.07621	0.8
114.09176	38.3
115.08700	1.0
125.10785	1.1
127.08691	2.1
130.17500	0.4
131.11812	0.6
133.10158	2.3
134.09647	0.9
143.11806	38.4
146.05971	0.8
150.12787	0.8
157.09732	1.1
157.13420	2.0
185.54071	0.6
186.09134	0.5
193.13353	3.6
195.15034	0.5
204.17563	0.8
213.16014	0.8
222.18680	0.6
248.16312	0.6
263.21182	4.4
265.19257	0.7
266.17648	0.6
281.22397	1.0
299.23349	1.0
362.19104	0.8
387.24902	0.8
410.21030	0.5
429.26993	2.0
433.25522	6.9
475.27704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
55.85952	0.5
60.04551	0.6
65.25031	0.4
67.05508	1.1
69.07072	2.2
70.06589	3.7
72.04517	3.1
72.08160	7.1
76.35495	0.6
81.07056	2.7
83.08643	0.6
84.05617	0.6
84.08154	28.8
86.09704	0.8
91.05503	0.9
95.04953	0.7
95.08644	0.7
98.05992	0.4
98.09705	3.8
105.07072	2.0
107.08592	2.6
109.10135	0.9
112.07596	1.0
113.10788	2.3
114.09176	41.6
115.08727	4.5
121.10143	0.9
122.19249	0.6
123.11686	1.0
125.08112	0.6
131.11784	5.2
133.10152	3.0
134.09659	2.8
137.05980	2.4
143.10686	1.2
143.11813	32.3
148.11200	0.8
150.12802	1.1
151.11211	0.7
156.11366	0.7
157.09761	3.1
157.13354	3.7
163.03844	0.9
170.75525	0.7
173.13931	0.9
193.13309	5.0
233.12877	0.7
263.21109	4.3
317.24377	0.7
433.25211	5.7
475.27667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77099	0.4
55.15595	0.4
55.97097	0.4
70.06586	0.6
82.57857	0.5
91.60356	0.4
119.90926	0.4
144.08096	28.7
145.08922	0.7
158.09679	1.0
162.68759	0.5
170.09650	100.0
171.10420	33.8
201.13876	4.3
202.14659	22.8
209.15408	0.6
272.39737	0.5
309.42188	0.5
315.61771	0.5
319.71994	0.6
475.24417	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14239	0.3
55.01862	0.5
55.05506	1.5
55.25129	0.3
56.13853	0.3
57.03436	0.8
59.06062	0.3
66.93420	0.3
67.05508	2.5
69.07072	0.5
70.15087	0.3
70.64649	0.3
79.05496	0.7
81.07063	3.8
83.08617	0.5
89.03902	0.7
89.12019	0.3
91.05443	0.5
95.08608	4.0
97.10188	0.5
107.08583	0.4
109.10132	1.4
117.03378	4.4
145.02847	46.5
149.05975	1.7
163.03822	0.7
169.73062	0.4
177.05467	100.0
223.11554	0.4
224.69801	0.4
475.26895	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56210	0.6
53.49669	0.5
60.63815	0.5
60.95506	0.5
64.00824	0.5
64.54807	0.5
69.07056	0.6
70.06600	3.9
72.04510	2.6
72.08166	6.5
74.49387	0.5
83.05017	0.5
84.08155	36.7
93.07050	0.5
98.09679	2.3
105.07066	1.3
109.06488	0.6
112.07606	1.0
114.09183	37.2
115.08682	3.3
121.10069	0.6
125.10769	0.7
127.08682	3.0
133.10133	3.3
134.09668	0.6
143.11813	42.2
150.12782	0.7
151.11188	0.7
157.09746	0.7
157.13338	0.9
157.79196	0.6
159.79794	0.5
172.78926	0.6
173.45946	0.5
193.13379	3.8
204.17430	0.8
222.18678	0.7
263.21286	3.6
281.22153	1.1
299.23199	0.7
387.24765	1.0
391.05383	0.6
394.12079	0.6
429.27139	2.7
433.25717	4.7
458.25122	1.0
475.27661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2455
Annotation	XMD8-92
Peak:m/z	Relative Intensity
55.52697	6.5
57.20326	7.4
63.26207	7.2
72.08170	16.0
79.05506	10.4
81.07069	30.2
93.07069	15.0
99.04430	9.6
103.61347	8.0
105.07035	62.5
119.08578	67.3
122.09673	47.3
124.81760	7.4
124.91608	8.7
125.05946	8.1
126.16216	7.8
133.10136	51.0
143.08586	12.3
145.10155	7.9
147.08046	49.0
156.06314	8.3
161.09651	81.9
165.09106	9.9
170.09673	49.6
171.10429	16.3
179.10693	13.6
189.09096	18.8
202.14658	36.8
207.10233	38.7
222.03609	8.4
233.12869	33.3
234.11261	33.8
251.13869	100.0
270.68436	9.2
328.20132	17.4
475.26624	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2445
Annotation	XMD8-92
Peak:m/z	Relative Intensity
58.06592	2.2
63.13817	0.4
70.06589	3.4
72.08140	0.7
72.61357	0.3
84.08129	0.5
84.33329	0.4
84.81537	0.4
86.09698	1.0
95.08597	0.4
96.08129	7.3
98.06016	0.4
98.09722	0.6
101.06020	0.5
105.75462	0.4
110.09698	0.5
120.08104	0.7
124.07559	0.4
124.76598	0.4
126.12792	2.8
128.07059	0.6
129.43857	0.4
130.06490	0.8
132.04445	2.5
132.08044	0.7
133.04759	1.9
134.09601	3.0
142.08636	0.5
144.08109	5.6
146.09657	0.9
148.11235	0.6
152.10695	0.7
157.08846	1.6
158.09651	10.6
160.11258	0.6
170.09653	1.9
170.11740	4.0
172.11217	3.6
174.12775	4.8
181.04903	0.9
182.09726	1.4
183.10420	0.6
184.11203	4.5
186.12831	3.9
188.10783	0.9
196.11191	4.2
198.12839	0.6
199.12311	1.7
200.13005	0.9
201.13823	1.8
211.13486	0.7
212.14407	0.9
213.13870	2.5
214.12149	0.4
217.17003	0.9
217.47629	0.4
224.14331	0.9
226.15817	3.2
227.15399	6.9
229.16962	1.6
238.89572	0.4
240.14009	0.5
244.13356	0.8
245.16461	18.2
252.13670	0.5
255.18512	1.7
256.13306	0.9
257.20114	7.2
258.14825	0.8
259.11771	0.9
260.12198	2.5
270.14856	4.3
275.21066	0.5
283.17996	2.2
284.11407	0.8
285.11697	2.5
286.16721	0.4
298.12637	0.6
301.19122	20.9
302.12372	0.6
303.12885	3.2
319.20175	1.9
326.15952	0.6
328.12360	1.5
345.13065	8.6
346.13361	22.8
386.16006	0.6
415.03043	1.5
426.18948	1.9
429.20081	1.9
435.13077	0.5
455.21472	0.4
457.23352	18.4
475.17633	14.5
475.24298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14491	1.0
53.62175	1.1
55.01879	1.5
59.85358	1.3
61.02927	1.5
69.03430	6.4
69.07074	1.7
70.06594	6.8
71.05004	12.0
72.08150	4.7
73.02905	2.0
81.03430	4.9
81.07044	2.9
83.04958	1.2
83.08654	1.9
85.02915	18.4
85.06554	2.7
87.00816	5.7
90.27073	1.2
90.35297	1.2
93.07043	3.1
95.04972	62.2
95.08619	2.3
97.02892	7.3
97.06540	2.0
99.04463	58.9
105.01865	6.6
105.07069	2.2
106.07371	2.2
107.08612	6.0
109.02876	5.9
109.06513	1.5
109.10157	6.8
115.07581	2.6
119.21721	1.2
121.10124	8.4
123.04425	5.3
123.08071	2.3
123.11707	1.4
125.09652	1.6
127.03936	9.9
131.08603	2.2
133.10133	24.3
135.08037	2.2
139.11142	2.8
144.08075	1.8
145.02873	1.2
145.04935	2.2
145.10159	2.3
146.10445	1.4
147.11720	2.9
149.09610	1.6
149.13216	4.6
150.24789	1.7
151.11234	2.3
153.09111	56.1
159.02919	1.8
163.03862	8.1
170.09674	7.6
173.13275	13.1
191.14334	12.3
209.15379	100.0
222.11275	2.4
223.11662	3.0
227.16415	60.1
231.04932	2.2
267.06470	3.1
285.18649	1.4
295.05954	2.9
295.11664	2.5
313.06982	1.5
331.95575	1.2
341.01669	1.3
392.27338	1.3
474.81512	5.2
475.20297	2.2
475.25769	4.2
475.32047	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	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08073	0.6
50.33262	0.5
54.65070	0.6
55.05523	1.7
57.07082	0.8
64.15305	0.6
69.03435	7.0
69.07067	3.2
70.06561	0.7
70.37868	0.7
71.61696	0.7
72.08131	1.4
81.03423	1.7
81.07052	2.8
82.24096	0.8
83.04975	4.6
83.08623	0.9
85.02904	6.3
85.06561	1.2
93.07059	3.0
95.08616	6.1
97.02873	1.4
97.10165	6.0
97.27072	0.7
99.04460	1.1
99.08117	7.6
100.04009	0.7
100.08749	0.9
105.01865	1.5
107.08595	10.4
109.02899	2.6
109.06535	1.4
109.10143	3.1
111.08083	1.4
113.06019	3.3
121.10146	8.2
123.08172	0.9
123.11735	1.0
125.06001	3.0
125.09636	51.6
127.03924	4.5
133.10152	4.1
135.08063	7.3
135.11691	2.9
137.09630	4.0
143.03386	3.3
144.03778	0.9
144.08160	1.1
145.10196	0.9
147.11705	3.7
149.09631	66.7
149.13191	7.3
151.11200	15.2
153.09113	17.0
154.09898	1.3
159.02960	0.9
163.03932	1.6
163.14818	6.2
165.12788	0.8
170.09656	4.2
171.10059	3.4
173.13290	5.8
191.14297	28.9
209.15376	100.0
227.16432	19.2
267.06564	9.2
295.06018	15.9
309.15497	3.8
313.07004	5.8
324.17847	5.0
366.66675	0.8
457.21005	1.2
475.20645	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50021	0.2
55.01863	0.4
55.05508	0.4
57.03430	0.2
68.26734	0.2
69.03421	1.7
71.04991	0.3
81.03416	1.2
85.02908	5.1
85.06518	0.2
87.00839	2.2
89.27717	0.2
91.03948	0.2
91.05476	0.2
92.18407	0.3
93.07050	0.4
94.24709	0.2
95.08597	0.4
97.02900	1.6
99.04459	2.1
105.01907	1.4
105.02520	0.2
105.07066	0.2
107.08604	1.1
109.02898	1.7
109.06467	0.7
109.10101	0.2
121.10159	1.9
123.08086	0.3
127.03917	2.9
131.08554	0.2
133.10091	1.8
135.08076	0.3
137.09613	1.3
145.04959	1.0
147.11687	0.3
149.09622	100.0
151.11211	0.4
159.02893	0.5
163.14778	0.4
170.09663	1.3
171.10316	0.3
173.13266	0.5
183.13853	0.2
191.14294	6.0
209.15367	21.6
227.16422	7.0
227.18478	0.4
231.05067	0.2
237.40681	0.2
254.05186	0.2
267.06561	1.1
269.79794	0.2
295.05939	1.8
313.07028	0.3
369.33374	0.2
402.42633	0.2
475.24130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
55.05509	2.8
55.23524	1.2
57.03442	1.6
57.38718	1.1
62.53210	1.2
67.05497	2.2
69.03423	6.1
69.07057	2.0
71.04996	2.2
74.06071	5.1
74.55685	1.3
79.05515	1.7
81.03435	2.9
81.07070	9.0
83.04967	5.3
83.08595	1.7
83.92687	1.1
85.02898	15.0
85.06522	2.5
86.09702	6.5
87.00838	3.0
91.05501	2.9
93.07035	10.2
95.08602	18.4
97.02905	7.0
97.06527	3.1
97.10146	1.5
98.05982	1.2
99.04500	4.4
99.08107	11.4
105.01888	2.1
105.07034	5.7
107.04980	9.1
107.08601	29.6
109.02870	5.8
109.06516	6.5
109.10172	12.6
111.08099	3.1
119.08569	2.5
121.06494	10.5
121.10147	20.1
123.08091	9.6
123.11723	6.1
125.06001	1.8
125.09643	7.8
127.03909	10.5
131.04942	3.1
131.08614	9.6
133.10126	13.1
135.08070	10.9
135.11670	5.5
137.09637	5.2
139.11195	5.7
145.04987	1.6
147.11658	5.5
149.09628	99.2
149.13255	16.1
151.11192	15.2
153.09120	6.2
157.05251	1.3
163.11148	1.7
163.14809	18.5
167.07101	3.1
170.09668	1.7
173.13272	21.5
177.05452	2.3
191.14304	42.2
209.15372	100.0
227.16429	39.5
247.07549	1.4
253.08652	3.0
262.67731	1.4
265.08627	2.5
277.08463	2.0
283.09531	1.9
295.09689	2.9
337.96112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1255
Annotation	Aristofolin A
Peak:m/z	Relative Intensity
50.61922	0.1
53.73131	0.1
56.92955	0.1
66.95959	0.1
67.05500	0.3
69.07066	0.1
70.06566	0.8
72.08139	0.5
79.26092	0.1
81.07056	0.1
84.08118	0.7
85.02877	0.3
85.08453	0.2
86.09679	0.7
92.18486	0.2
95.08575	0.7
107.08590	0.3
114.09140	0.3
115.09422	0.2
118.05811	0.2
123.08085	0.3
127.03949	0.1
143.11777	0.9
144.12164	0.3
149.09544	0.2
163.11162	0.2
171.04498	0.1
187.03883	0.2
187.10788	0.3
188.45776	0.1
207.13814	0.3
208.07298	0.8
208.14082	0.2
209.15331	0.2
267.06519	56.6
295.06024	100.0
313.07065	37.3
327.70016	0.2
457.11160	0.8
475.12350	11.5
475.19870	0.4
475.26767	2.7
479.48657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1241
Annotation	Aristofolin A
Peak:m/z	Relative Intensity
53.42963	0.3
68.45420	0.3
70.06439	1.2
70.06794	0.5
72.04363	0.6
72.04713	0.4
72.07981	1.9
72.08398	0.9
84.07945	7.3
84.08508	2.7
105.06845	0.5
107.08429	0.4
111.99438	0.3
114.08952	13.3
114.09828	2.1
115.08593	0.4
115.76099	0.4
116.85475	0.4
126.35552	0.3
127.08506	0.7
133.09973	0.7
134.09502	0.4
136.34724	0.4
143.02838	0.4
143.11588	14.2
143.12805	1.1
144.07875	3.8
149.09494	0.6
150.12630	0.6
154.67426	0.4
170.09644	13.8
171.10440	3.8
177.05295	0.9
193.13197	0.5
201.13684	0.5
202.14503	2.6
259.74902	0.4
263.21091	1.8
267.06525	65.6
281.22113	0.5
295.06027	100.0
295.88852	0.4
301.76147	0.4
313.07071	48.0
433.25540	2.7
475.28131	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94156	0.3
57.03418	2.0
57.07065	1.7
58.06615	7.4
59.07364	2.7
60.08172	3.6
60.08714	0.5
61.13910	0.4
71.08614	1.8
75.04464	1.7
85.02906	0.8
87.04455	2.1
92.18094	1.0
95.08592	0.6
98.21576	0.5
102.35367	0.4
102.61846	0.4
105.23440	0.4
116.10609	0.4
118.65425	0.5
125.67136	0.4
131.07005	2.0
141.41077	0.4
144.10217	8.3
162.11214	2.9
181.61839	0.4
196.88359	0.5
236.14925	100.0
267.08826	0.4
315.07101	0.5
456.36871	8.9
474.37943	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73730	14.0
57.73730	15.3
64.75526	15.1
69.07085	28.1
73.59229	15.6
78.62834	17.4
79.05502	19.2
81.07072	36.6
93.07028	40.5
95.08612	44.1
107.08588	25.4
109.10194	33.1
110.00068	16.0
114.96348	17.3
119.08540	23.7
121.10149	42.4
123.11707	25.2
133.10088	19.3
135.11679	72.1
141.13651	19.9
147.11772	19.3
149.13203	28.9
197.85124	17.2
209.97180	20.1
216.34886	20.7
236.14960	100.0
245.12823	17.2
253.52487	21.9
356.05045	18.6
474.37851	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87860	0.4
58.06593	0.8
70.01479	0.4
72.08163	0.7
86.29845	0.4
103.20032	0.4
160.07578	33.0
161.08252	0.6
170.09673	0.8
174.09137	0.5
186.09145	100.0
187.09924	35.4
202.11053	1.0
217.13362	5.9
217.74539	0.5
218.14143	25.6
342.45432	0.6
431.26724	3.1
457.24554	3.6
474.27145	67.4
488.73160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	2.0
57.07090	3.6
58.06614	13.5
59.07141	0.3
59.07388	4.2
60.08170	6.7
67.05502	0.8
69.07059	0.7
71.08631	3.9
74.34435	0.4
75.04475	0.5
76.55949	0.4
80.72447	0.5
81.07052	0.9
83.08612	0.4
85.02877	1.7
85.10145	1.8
87.04455	1.6
95.08556	1.9
97.10138	0.6
109.10099	0.6
111.41015	0.5
113.06004	0.7
116.69017	0.4
129.45477	0.5
131.06990	0.7
144.10197	8.4
162.11246	1.6
195.89484	0.4
200.12788	0.5
218.13876	0.4
236.14929	100.0
305.99567	0.4
313.27368	1.7
412.37982	0.9
456.36832	12.5
474.37921	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	474.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55395	0.2
58.06592	1.5
59.04966	0.3
72.04486	0.2
72.08160	4.8
73.71975	0.3
80.60947	0.3
84.08128	1.2
97.37261	0.2
100.07629	4.4
112.11237	2.2
113.44822	0.3
123.04424	19.0
135.83073	0.3
136.07561	1.2
137.05943	0.4
164.07053	1.0
165.05461	23.8
216.28268	0.3
221.12802	1.4
222.11246	100.0
236.12820	7.5
293.18552	2.7
310.21231	1.0
439.96640	0.3
456.24930	1.4
457.23270	1.0
474.25983	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70581	0.3
58.06603	0.6
67.29382	0.4
72.08150	5.2
84.08115	0.6
100.07626	3.7
112.11238	1.9
123.04433	19.9
129.13863	0.5
136.07536	0.8
137.05994	0.6
164.07036	0.9
165.05463	23.2
221.12798	0.8
222.11243	100.0
225.97829	0.5
236.12807	6.7
293.18536	2.8
310.21304	0.9
456.24905	0.7
457.23358	0.6
474.25995	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	474.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77549	0.9
67.05537	1.0
69.03437	1.2
69.07079	2.3
70.06596	2.1
72.08160	1.6
79.05485	2.3
81.07067	1.5
83.73968	1.1
84.08157	1.4
85.02904	4.5
86.09709	50.3
93.07041	6.0
97.06547	2.1
103.12288	1.1
105.07037	6.6
105.54038	1.1
107.08592	7.2
109.48730	1.1
119.08628	1.7
121.10146	94.5
123.08057	1.3
127.03925	2.0
128.10713	25.8
132.10211	31.9
135.11699	31.9
135.12567	1.1
137.13309	1.6
145.10132	8.4
147.04338	2.0
149.09618	1.5
163.11115	10.4
186.09085	2.0
191.10690	1.5
218.14145	1.1
235.10797	13.6
248.20122	5.8
280.03226	1.2
287.10233	2.0
294.11465	1.6
294.20605	36.5
305.11285	6.9
312.21692	100.0
367.96994	1.2
387.93259	1.5
474.22641	5.4
492.25711	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
59.11166	0.6
59.86752	0.5
69.03429	0.7
69.07065	0.7
69.92129	0.6
70.06590	8.1
72.04512	3.5
72.08160	13.0
78.30405	0.6
79.05486	3.0
79.53668	0.6
81.03427	0.7
81.07073	5.0
84.08154	42.0
84.08669	1.4
85.02851	0.7
85.04018	0.6
86.09686	3.4
91.05487	2.5
93.07057	1.5
94.99072	0.6
98.06055	3.4
98.09702	0.8
99.00771	0.6
107.08580	1.5
109.05709	0.6
109.06544	0.7
112.07605	1.0
114.08379	1.3
114.09178	37.9
115.08709	5.1
119.77097	0.6
121.10130	0.9
125.10721	0.9
127.08685	11.5
129.10236	1.0
131.08568	3.4
132.04462	0.9
139.08722	0.9
143.11813	39.6
144.11314	0.7
147.07648	0.8
148.11220	0.9
149.09628	2.4
157.09735	7.1
157.13383	1.1
170.86487	0.6
178.87059	0.7
197.12906	0.8
198.12422	1.2
201.12399	0.8
202.15968	1.0
205.14586	0.9
227.52788	0.7
246.14799	0.8
259.11884	0.9
261.19543	1.2
264.15976	1.4
270.65530	0.6
276.17053	0.8
281.18744	0.9
284.11557	0.8
302.12375	1.1
316.38168	0.7
326.12387	3.9
327.12094	1.1
345.13071	10.7
380.17148	3.4
439.20813	3.5
456.23392	20.3
474.17960	6.1
474.24448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64950	0.3
55.05522	0.6
58.54727	0.3
60.97975	0.4
69.03419	0.6
70.06591	7.0
71.01350	0.5
72.04505	2.4
72.07804	0.5
72.08156	10.3
79.05504	0.7
81.03439	0.4
81.07061	2.3
81.80756	0.4
84.08150	37.2
85.02895	1.6
86.09710	3.0
91.05481	1.6
93.07048	3.9
95.08600	0.7
98.06079	1.7
98.09695	1.8
101.20529	0.5
102.05549	0.4
105.07046	2.2
107.08590	1.9
109.10143	0.6
112.07629	1.7
114.09174	32.4
115.08704	5.3
116.07113	0.5
119.08582	0.8
121.10130	2.2
123.08054	0.8
126.09040	0.5
127.03900	0.5
127.08671	7.4
129.10228	2.5
130.05008	0.4
131.08574	3.5
131.11777	0.5
134.09673	0.6
143.11809	31.5
148.11214	0.7
149.09618	3.0
157.09746	5.3
157.13335	0.9
171.14876	0.7
179.11911	0.4
183.11243	0.5
191.11830	0.5
193.13362	1.8
245.16454	1.0
246.14857	0.8
256.35046	0.4
261.19675	0.9
263.17535	1.7
264.15833	0.7
281.18542	0.6
294.18365	0.6
345.13251	1.0
380.16840	0.6
474.24451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63261	0.4
58.06653	0.5
59.77316	0.5
63.72056	0.4
63.80432	0.5
66.03510	0.5
70.06583	0.5
71.38387	0.5
72.08155	0.8
86.09711	73.3
112.11254	0.6
117.03448	0.5
132.10211	49.3
135.04446	3.6
145.02872	4.6
148.48306	0.5
163.03905	100.0
190.56161	0.5
191.11882	0.5
293.18634	0.7
295.19174	1.1
312.22174	0.7
343.10269	8.7
354.63864	0.6
430.70346	0.7
474.27301	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	474.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37473	0.3
58.64614	0.3
67.80930	0.3
69.07078	0.4
69.98593	0.3
73.02921	0.4
73.23965	0.3
75.48864	0.3
77.39835	0.3
84.29795	0.3
85.02914	0.7
86.09708	100.0
90.51286	0.3
92.43941	0.3
99.31469	0.3
110.10756	0.3
127.88577	0.3
132.04449	1.5
132.10205	74.3
148.89377	0.3
216.43959	0.4
259.11966	2.1
284.11371	0.5
302.12405	2.0
327.11826	0.6
345.13068	14.8
347.09204	0.4
362.09665	0.5
455.17685	0.4
474.11240	0.7
474.17291	6.1
474.27194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05900	0.3
70.06544	0.4
72.08133	0.7
73.16953	0.3
78.94489	0.4
85.02872	0.6
85.40572	0.4
111.05516	1.5
114.09158	0.5
115.07600	0.5
120.04397	1.9
132.04457	13.8
134.05986	2.0
149.98979	0.4
151.06131	0.5
162.83492	0.4
194.06731	2.2
195.07571	0.8
208.08336	0.4
242.09207	2.5
257.10321	0.6
259.11899	14.9
262.09952	0.4
284.11423	11.5
289.12976	0.5
302.12497	15.7
327.11945	9.2
345.13074	100.0
395.79297	0.5
456.16293	1.5
474.17352	39.9
474.23459	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	474.1735
Annotation	Raloxifene
Peak:m/z	Relative Intensity
50.76856	0.3
52.30910	0.3
59.51226	0.3
60.49086	0.3
62.88813	0.3
70.06564	0.7
72.08134	1.0
94.80495	0.3
110.02892	0.3
111.05515	1.5
112.78528	0.3
114.09090	1.3
120.04404	1.3
129.10243	0.4
129.59468	0.3
132.03490	0.5
132.04449	13.0
133.73097	0.3
134.05920	1.7
141.81065	0.3
151.06108	0.7
167.39470	0.3
194.06723	2.3
195.07478	0.4
197.13908	0.8
202.19156	0.3
216.11319	0.4
242.09227	2.9
242.93594	0.3
257.10242	1.1
259.11905	14.8
284.11395	12.0
302.12482	15.3
327.11972	12.0
345.13065	100.0
456.16531	1.3
461.22269	0.3
474.17392	39.5
474.23639	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	474.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81379	0.4
63.09368	0.5
72.08141	0.7
73.72466	0.5
75.17119	0.5
76.04004	0.5
76.45721	0.4
83.06107	2.5
84.04085	0.6
84.04518	9.1
86.00645	0.8
88.11293	0.7
99.05579	1.2
103.32919	0.5
103.77155	0.5
115.02145	3.0
117.85471	0.5
125.63898	0.5
127.03957	0.8
129.06622	5.9
130.04996	2.8
133.09549	0.5
136.04012	0.7
143.01613	2.7
148.14383	0.6
149.04584	0.5
152.01590	0.7
153.06602	6.9
155.08212	1.0
162.59526	0.5
163.03854	0.7
164.01660	1.2
169.04916	1.9
171.01068	0.7
173.41409	0.5
178.05000	3.3
179.05760	0.7
180.01137	2.6
181.01888	2.1
181.06076	2.6
182.02719	8.1
192.01175	1.2
196.04277	2.9
196.06059	10.0
197.01257	3.7
199.00601	10.3
199.07109	2.7
201.02142	0.5
208.06050	2.9
209.06830	1.2
210.02206	100.0
211.03008	11.8
212.03773	14.6
213.02165	7.0
215.03717	3.7
224.03766	20.6
225.02151	4.4
226.05301	2.6
238.01678	4.4
242.04820	13.3
253.01717	0.9
267.04065	0.7
270.04379	0.6
271.02728	0.9
281.05981	2.4
284.04617	0.9
308.05869	2.3
313.04886	48.4
320.81250	0.6
327.06479	36.3
328.04831	2.5
345.07516	13.0
345.11423	0.9
395.64774	0.5
399.08600	8.5
411.08786	0.6
474.11682	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	473.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07073	3.2
83.09324	3.4
89.85545	3.5
93.06987	4.6
107.08607	6.3
108.14905	3.3
109.29299	3.8
133.10150	4.8
135.29033	3.4
145.10043	5.9
147.11690	22.8
148.62704	3.3
159.11632	4.3
161.13263	70.7
169.79619	3.3
173.13257	4.7
175.14813	4.1
249.30457	3.4
255.21042	100.0
315.23169	82.5
432.09467	4.2
473.34338	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	473.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60429	0.5
58.06618	0.7
70.06611	1.1
72.08157	1.4
80.60545	0.5
86.09715	1.0
105.73708	0.5
114.09207	0.9
131.60506	0.6
143.11819	0.6
144.08099	25.8
144.09198	1.2
158.09682	1.0
160.07573	1.0
163.03917	0.7
170.09644	100.0
171.10429	27.9
171.11885	1.0
186.09056	4.7
201.13901	6.6
202.14668	19.4
207.13783	0.7
225.14928	0.7
343.16693	0.7
379.35168	0.6
413.71228	0.6
473.27756	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	473.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97525	0.6
53.55475	0.6
54.10689	0.6
55.01869	0.7
55.05511	4.5
57.03432	1.8
58.72154	0.6
61.02915	0.8
69.03429	5.5
69.07049	3.7
72.08163	73.3
77.43275	0.8
81.03433	6.0
81.07058	1.4
83.08615	1.6
84.04495	3.2
85.02923	12.9
85.06482	0.9
86.09713	100.0
87.00810	4.5
87.04427	0.8
93.07041	0.9
95.04944	3.3
95.08611	1.6
97.02866	4.2
97.06528	1.0
98.05921	0.9
99.04433	3.7
102.05555	12.6
105.01859	3.2
105.07029	1.5
107.08586	3.4
109.02884	9.2
109.06523	3.1
109.10152	0.9
110.91782	0.7
119.08566	1.3
119.25669	0.8
121.06516	1.8
121.10101	1.1
123.08070	12.1
125.09597	1.5
127.03944	12.3
129.00383	0.9
129.06584	1.6
132.10194	4.5
133.10088	3.9
137.09637	0.9
139.04068	0.7
145.04922	1.7
147.11697	1.8
149.09636	1.6
151.07553	34.2
153.09055	0.9
159.02866	4.5
161.13208	1.4
163.11198	6.2
165.12756	0.8
170.11708	1.3
179.14392	0.8
183.11288	3.8
183.91202	0.7
189.12697	5.4
197.12852	5.2
201.12349	34.5
207.11986	1.4
207.13814	22.3
215.13911	8.9
225.14807	4.2
229.11836	38.7
231.04980	1.3
245.18594	40.4
249.14911	3.2
267.15775	1.0
281.00522	0.8
342.20227	22.6
354.10919	0.8
425.19275	0.8
455.19086	1.7
471.80960	0.8
473.13498	1.7
473.20035	37.1
473.29855	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	473.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57110	1.0
59.32227	1.0
59.53386	1.0
64.84172	1.1
70.06596	2.8
72.08159	61.1
84.04501	9.8
84.08163	1.8
85.02914	2.2
86.09212	2.2
86.09709	50.5
87.05596	2.6
102.53324	1.2
119.08543	1.2
122.61633	1.3
127.08678	20.8
130.04999	32.8
131.11807	1.3
141.10222	26.9
147.07646	66.5
151.03868	8.7
155.11833	1.3
163.03874	2.3
169.09706	21.3
186.12373	100.0
195.14932	6.1
197.09354	1.6
214.11864	21.9
220.09700	3.1
221.09898	4.2
223.14395	2.2
242.60362	1.2
243.13390	3.0
244.56949	1.3
260.16037	52.8
263.07028	6.6
268.16605	4.9
279.06726	1.3
280.07419	1.9
282.39886	1.3
291.06458	1.4
295.09650	2.1
297.07553	6.5
299.20682	2.6
323.09131	2.1
327.20239	31.8
343.34515	1.2
369.21317	1.9
429.20319	14.6
455.82959	1.4
473.11377	1.3
473.19153	7.3
473.26752	27.2
485.14621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61763	0.4
69.84808	0.4
70.06586	2.4
72.04502	1.0
72.05607	0.5
72.08152	5.3
79.05489	0.6
81.07048	1.0
84.08146	33.5
93.06996	0.7
95.08607	2.2
107.08585	0.9
112.07572	0.8
114.09167	36.2
115.08665	2.0
119.54264	0.5
121.10152	0.7
123.08041	1.0
125.10729	0.8
127.08679	2.2
131.08540	1.1
143.11798	59.9
148.11261	1.5
149.09602	2.0
149.79431	0.5
156.11282	0.6
157.09735	3.0
157.13379	0.8
160.07550	0.9
173.12849	2.2
186.09195	2.4
189.12640	0.6
198.12369	0.5
207.13695	1.7
239.15056	3.3
241.72276	0.6
327.16776	0.7
373.17175	2.7
391.17914	0.8
405.60141	0.5
413.22803	0.5
427.25681	0.9
431.23682	0.6
456.23419	1.2
473.26086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39768	0.9
58.06602	11.7
72.08135	1.4
98.06075	1.1
130.06509	4.5
143.07312	5.8
144.08083	21.2
145.08878	5.1
156.08064	4.1
157.08904	4.5
158.09637	9.9
159.09218	7.5
163.03845	1.3
167.07242	1.3
168.08020	8.2
169.08875	1.1
170.09642	1.7
171.09134	11.6
181.08888	7.3
182.09650	4.8
183.10468	2.0
184.11200	19.9
185.10715	18.4
186.09045	1.6
188.07059	2.4
189.14989	1.2
194.09695	3.9
195.10503	9.4
196.07559	1.3
196.11208	8.7
197.08356	40.7
198.12801	14.2
210.09070	1.3
210.12787	21.3
211.09946	4.4
212.10706	100.0
214.08607	13.5
217.09657	11.3
221.10019	1.6
223.09886	2.2
224.10699	2.1
226.12241	22.7
231.11388	4.1
238.12270	24.3
251.11795	2.2
256.13327	6.0
277.09665	1.0
305.35770	1.1
305.55533	1.2
335.09241	1.1
396.20786	5.2
416.19638	36.5
430.21286	2.4
442.21213	20.4
473.25439	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2551
Annotation	Lucidenic acid K
Peak:m/z	Relative Intensity
50.16194	0.7
57.26787	0.7
59.88469	0.8
60.70804	0.7
76.15935	0.8
78.55502	0.9
83.45136	0.8
98.06087	1.8
144.08098	85.7
145.08849	5.2
148.07602	1.1
158.09613	4.1
160.07628	1.6
170.09656	77.6
171.10437	12.8
172.09985	0.9
186.09119	2.2
187.09967	1.2
187.12352	9.5
188.13089	21.9
224.10709	5.2
269.16559	3.8
287.17630	1.2
376.35852	1.0
440.88049	0.9
473.25528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
79.00394	0.2
97.55051	0.2
98.06067	2.6
101.82617	0.3
120.08083	0.5
126.79817	0.2
132.08041	0.4
144.08093	96.2
145.08882	5.1
146.09673	0.3
148.07570	2.3
148.71579	0.3
158.09660	4.2
159.09236	0.4
170.09651	84.5
171.10425	14.5
172.09924	1.2
173.10732	1.1
187.12305	9.0
188.07091	1.2
188.13086	23.8
189.13884	1.3
196.11209	0.3
209.08469	0.3
213.99194	0.3
224.10741	4.8
226.12389	0.2
229.35370	0.3
239.11929	0.3
244.01509	0.3
252.13733	0.4
269.16486	3.7
269.72855	0.3
285.12299	0.3
287.17587	2.6
438.33469	0.3
448.64993	0.3
473.25494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01884	16.8
55.05525	1.5
57.03447	2.6
57.07084	2.0
57.50620	1.0
61.02929	1.5
61.07790	1.0
61.56971	0.9
67.05515	10.8
69.03434	14.7
69.07066	6.4
71.05000	100.0
72.08155	1.9
73.02912	2.1
79.05494	4.9
81.03043	1.1
81.03431	14.8
81.07077	17.1
83.08633	8.7
84.04524	1.3
85.02422	1.6
85.02917	41.8
85.06555	2.6
87.00843	12.3
87.04474	39.9
91.05472	1.8
92.17803	1.4
93.07054	9.5
95.04978	14.0
95.08607	16.3
97.02905	14.7
97.06535	75.1
99.04442	8.2
105.01883	11.4
105.07017	7.7
107.07964	1.0
107.08602	9.9
109.02885	19.0
109.06532	2.0
109.09483	2.0
109.10170	30.2
109.10870	2.0
111.08094	7.7
115.03931	1.8
119.08573	7.6
121.06519	2.6
121.10139	10.6
123.08098	5.3
123.11715	22.8
127.03923	24.1
127.11216	6.4
129.01820	2.5
131.08601	2.4
133.10141	6.7
135.08054	1.8
135.11703	5.3
137.13300	1.2
138.09122	1.3
139.07584	1.4
145.04913	9.5
145.10155	5.0
147.02892	1.5
147.04442	2.7
147.08084	1.1
147.11699	6.5
149.09604	1.3
149.13237	1.2
151.11130	1.8
157.10138	1.6
159.02881	13.5
159.08076	2.4
159.11668	1.7
161.13260	6.3
162.57301	1.1
163.07538	1.4
163.14839	2.3
165.12776	2.5
167.10725	1.3
169.10104	1.4
171.11699	2.4
173.13318	2.1
185.89371	1.2
189.16432	1.6
207.17448	48.0
209.18965	12.4
225.18503	21.1
231.05023	5.3
231.17336	1.5
240.31261	1.1
249.18541	6.7
250.14418	6.6
265.05563	1.3
267.19635	9.9
291.19562	4.9
309.20615	7.0
315.19531	5.8
331.18741	1.3
333.20529	2.0
377.16278	1.1
392.16507	1.8
406.17499	1.2
419.20892	1.7
437.21793	4.8
473.19800	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	473.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	1.5
73.55138	0.4
82.05143	0.3
85.02877	0.7
85.83659	0.4
92.34480	0.4
123.11715	0.5
139.48013	0.4
152.81583	0.4
159.78682	0.4
160.07576	36.9
161.08388	0.8
170.09669	1.5
186.09149	100.0
187.09929	31.3
203.11725	0.5
217.13347	3.6
218.14159	21.4
345.84998	0.4
412.52698	0.4
473.22855	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	473.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81809	0.4
58.06598	1.0
70.06606	0.4
72.08153	1.1
93.07033	0.4
95.08621	3.4
106.13502	0.4
109.10094	0.5
110.04890	0.5
114.09122	0.5
121.05416	0.4
122.36884	0.5
123.08041	1.7
131.25934	0.4
137.08350	0.4
140.50867	0.5
140.94516	0.5
149.09619	0.7
160.07584	34.8
161.08397	0.5
170.09680	1.9
174.09081	0.9
186.09152	100.0
187.08243	1.1
187.09930	31.9
189.12775	0.5
207.13834	2.7
217.13368	3.1
218.14148	22.7
237.39995	0.5
283.29684	0.5
473.22842	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28588	0.3
54.03099	0.4
58.06594	0.4
63.47293	0.3
66.14814	0.3
71.34100	0.4
73.45219	0.3
109.85074	0.4
116.55042	0.4
160.07578	36.7
161.08401	0.7
170.09645	1.4
174.09152	0.7
186.09146	100.0
187.09930	30.7
187.11206	0.6
202.11009	0.5
203.11714	0.6
217.13443	3.3
218.14146	19.8
228.24504	0.4
277.22400	0.4
289.29510	0.4
317.18607	2.1
473.22842	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2286
Annotation	(-)-11,12-Dimethoxy-N-methoxycarbonyl-kopsinaline
Peak:m/z	Relative Intensity
57.41082	0.3
58.06610	0.6
63.29304	0.3
63.57036	0.4
72.04895	0.4
87.43620	0.4
95.32358	0.5
107.79791	0.4
114.09193	0.6
123.77468	0.5
129.45273	0.4
151.20500	0.4
160.07571	37.8
161.08319	0.7
170.09677	2.1
174.09007	0.6
186.09148	100.0
187.09929	32.1
217.13368	2.8
218.14139	20.7
355.72830	0.5
473.22833	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2247
Annotation	Chrestifoline B
Peak:m/z	Relative Intensity
56.81968	0.7
57.23915	0.5
58.06596	0.8
60.05636	1.0
69.03423	1.0
70.06595	65.0
72.08150	3.0
73.02927	0.8
85.02921	4.8
87.04458	0.8
87.09208	1.2
97.02874	2.6
100.08437	0.6
101.07140	2.6
112.08753	1.0
112.54812	0.6
113.06425	1.2
113.07130	15.8
113.10740	1.0
123.04399	10.0
127.03863	1.0
130.09749	4.2
145.04825	0.6
163.03868	6.4
165.05527	4.5
228.78194	0.6
234.11247	22.2
251.13852	1.6
265.38248	0.7
269.14877	2.4
277.11832	7.8
293.16071	10.7
294.14423	3.0
310.16302	1.1
311.17120	18.1
455.20587	2.9
473.22421	100.0
482.13226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77218	0.5
52.24719	0.6
55.05494	2.6
55.84496	0.5
60.05635	2.5
63.67031	0.6
69.03420	1.2
70.06570	1.3
72.08164	10.6
81.03377	0.9
85.02946	5.3
85.03332	1.0
89.10745	0.6
97.02855	2.6
97.07649	2.4
98.06059	9.5
112.11183	2.6
113.10741	2.8
113.11537	1.1
114.09148	4.6
114.10289	19.3
115.08694	13.1
127.03898	0.9
131.12903	4.2
145.02815	0.9
145.04933	1.2
156.11258	3.1
157.10852	60.3
163.03906	82.9
166.05717	0.8
173.13991	1.0
222.08658	0.7
233.12784	5.0
233.45593	0.6
234.11194	5.5
236.12737	2.7
237.13063	2.8
256.16809	0.8
276.13489	7.9
293.16052	11.8
293.18887	1.3
294.18909	5.1
310.21030	1.0
311.17465	5.1
311.21112	4.4
321.26141	0.7
329.04144	0.8
363.98941	0.7
455.21066	3.6
473.22070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23394	0.2
56.15437	0.2
58.99590	0.4
59.71889	0.2
60.16301	0.2
61.02919	0.4
69.03428	0.4
70.06594	1.6
71.04969	0.2
72.08166	2.9
73.02872	0.3
81.03423	0.4
84.08138	0.4
85.02905	5.0
89.03934	0.3
97.02885	1.6
98.06043	0.4
99.04447	0.4
107.04893	0.4
109.02898	0.3
112.54838	0.2
113.10753	1.6
114.09177	2.0
114.10297	0.2
117.03337	0.5
127.03931	1.3
131.11768	0.4
135.04414	2.6
139.33704	0.3
145.02846	4.0
145.04964	0.9
157.09747	0.3
163.03902	100.0
178.05011	0.4
194.02570	0.3
206.04468	2.2
224.05569	1.3
234.11317	1.0
245.11400	0.3
264.03192	0.5
275.13895	1.3
282.04218	1.0
293.15182	0.4
310.03796	0.3
334.36276	0.3
350.22342	0.2
385.07037	0.4
437.19153	1.4
455.20270	39.4
473.15683	3.1
473.22488	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13051	2.6
69.03428	19.3
72.08164	3.3
81.03413	14.0
83.05000	5.4
85.02914	52.1
86.09686	3.4
87.00835	13.7
95.08645	3.6
97.02905	14.3
99.04482	4.8
100.87782	3.0
105.01875	11.3
109.02874	21.9
109.06509	6.6
119.06642	3.0
121.10119	4.4
123.08066	100.0
127.03928	33.5
128.17390	3.3
144.08052	3.6
145.04970	11.5
147.04420	4.3
149.09605	12.4
151.07602	3.2
151.11223	7.0
159.02884	5.1
163.11160	3.1
167.10611	3.7
170.09682	16.0
181.12231	6.2
207.13846	16.2
225.14862	45.6
231.05008	6.4
375.71509	3.1
425.20273	3.1
473.23438	6.0
487.76135	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	473.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.0
53.23165	0.8
55.00466	0.9
57.07077	1.3
57.28928	0.8
57.67550	0.8
59.05005	0.9
60.06102	0.9
67.05520	9.5
69.03432	4.4
69.07083	1.4
70.06602	4.1
70.28567	0.9
72.04523	1.9
72.08157	4.2
79.05516	1.2
81.03437	2.3
81.07079	1.9
84.08147	35.0
85.02912	9.7
85.06564	10.6
87.00845	3.7
93.07055	3.7
95.04969	1.1
95.08611	67.4
96.61059	1.0
97.02917	3.9
102.95123	0.8
103.88566	0.9
105.01902	5.8
105.07050	3.9
107.08600	7.0
108.41968	1.0
109.02873	3.7
109.10170	1.3
112.07680	1.1
113.06031	8.7
114.09177	39.4
114.09952	1.7
115.08788	1.2
119.08562	12.7
119.97356	0.9
121.10138	7.4
123.08064	31.6
123.08880	1.6
123.11669	2.7
127.03956	6.3
127.08728	1.3
129.11832	1.0
131.08606	2.3
133.10066	1.5
135.11685	14.6
137.09642	3.9
143.11807	70.4
145.04970	1.5
147.08064	3.8
147.11719	3.9
149.09628	28.4
149.10735	1.3
151.07597	4.8
151.14862	1.6
157.09799	4.1
160.07632	6.9
160.56216	1.1
161.13271	10.6
163.11255	5.4
165.12766	6.8
171.11766	1.4
173.12863	1.5
179.14308	1.2
186.09145	17.3
187.09966	6.0
189.12752	18.0
207.13811	60.0
218.14218	1.6
218.27875	0.9
225.14989	5.4
229.20343	0.9
231.05083	1.0
239.15123	5.1
373.17319	2.0
391.18356	1.5
431.23941	1.5
473.26288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82534	0.9
55.05505	1.9
55.08194	0.7
58.06606	3.8
59.34650	0.7
65.71810	0.7
69.03432	3.4
69.07088	1.0
70.06604	1.6
70.90683	0.7
71.04990	0.8
72.08154	10.3
81.03435	1.3
81.07066	1.8
84.08155	4.8
85.02916	5.7
86.09710	3.2
87.00846	3.5
91.05465	1.2
93.07050	4.3
95.04974	1.4
95.08626	3.7
97.02876	1.7
97.06528	1.7
98.06087	0.9
99.04469	2.9
105.01870	4.1
105.07040	4.8
107.08594	11.1
109.02889	1.8
109.06497	1.8
109.10199	5.8
110.06048	1.4
112.11263	3.5
114.10284	1.2
119.08591	11.5
121.06505	1.1
123.04453	3.0
123.08080	20.3
127.03917	6.3
129.13921	1.4
131.08563	1.4
131.12801	0.9
133.06552	0.9
133.10135	1.9
135.08128	3.7
137.09633	23.7
145.02930	1.8
147.08139	1.1
147.11722	9.5
159.11711	7.2
160.07527	1.8
161.13295	7.6
163.03911	49.7
163.11131	0.9
164.04240	25.2
165.04498	3.6
165.05649	1.0
166.04614	1.0
171.11658	1.0
174.97302	0.8
177.12752	1.7
186.09131	9.9
187.04044	0.8
187.09953	0.9
189.12813	7.0
202.74902	0.7
207.13832	46.4
218.14247	1.5
220.09697	37.5
221.10027	32.3
222.11317	1.6
223.11836	1.4
224.06860	1.4
225.14905	6.1
236.12903	4.3
237.13168	3.3
241.40591	0.9
250.46918	0.9
257.96002	0.8
277.11951	1.6
278.12408	3.0
287.10706	0.9
293.18417	1.9
294.19022	4.9
310.21182	6.2
311.21512	7.8
385.09375	1.2
458.23703	1.3
472.74332	3.1
473.24664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14985	1.5
58.06596	3.7
58.84814	1.9
60.44101	1.5
61.63711	1.6
68.19252	1.5
69.03429	15.3
70.06573	2.3
70.31312	1.9
72.08158	21.1
72.80483	1.6
73.08484	2.2
81.03416	11.0
81.07062	4.6
84.08134	7.7
85.02905	82.5
85.80547	1.7
87.00822	9.2
97.02908	7.7
99.04432	3.2
102.80779	1.9
105.01844	4.6
105.07053	4.1
107.08611	3.5
109.02890	9.8
109.10145	11.9
109.87277	1.9
111.37675	1.9
112.11253	2.9
116.17932	1.7
119.08572	4.4
121.10154	9.5
123.08076	3.5
123.11705	79.7
125.05986	3.6
127.03906	22.8
129.01816	2.3
131.12903	2.7
135.07980	1.8
135.11668	4.1
136.03981	2.0
137.09656	2.2
145.04964	2.7
145.67339	1.8
147.11702	8.0
149.09637	10.5
151.07552	3.6
151.71986	1.9
160.07607	9.8
163.03883	24.9
164.04245	13.0
165.05534	2.2
165.09053	2.1
165.12701	2.5
167.10698	7.8
170.09627	3.0
180.63428	2.1
181.12187	3.3
186.09149	23.2
187.09869	3.7
189.12766	13.5
201.05463	3.2
207.13780	43.4
218.14247	2.1
220.09694	12.8
221.10062	13.8
225.14836	73.6
231.05013	2.0
242.50737	1.8
311.21649	3.4
384.16083	3.6
455.18860	7.4
456.21848	2.8
472.73706	2.8
473.25067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.5
57.07082	1.0
60.24182	1.1
66.84038	1.0
67.05519	11.1
69.03436	2.9
69.07051	1.2
75.05751	1.2
81.03420	1.1
85.02901	10.7
85.06557	14.4
87.00810	5.4
93.07016	4.9
93.66111	1.4
95.08610	100.0
97.02905	2.3
99.04472	1.8
102.03799	1.7
105.01871	8.2
105.07069	2.7
106.11206	1.4
107.08591	8.9
109.02875	3.0
109.10184	1.6
113.05999	12.6
119.08588	17.6
121.10160	8.7
123.08070	36.6
123.11752	1.9
127.03891	6.6
131.08630	1.6
133.10112	1.8
135.11678	15.2
137.09665	2.0
144.08128	1.8
147.08038	2.0
147.11682	6.7
149.07549	11.2
149.09624	43.1
149.10759	2.6
151.14815	2.7
153.05476	2.4
161.13264	13.8
163.11188	4.7
165.12785	10.4
170.09636	2.2
171.11722	2.0
173.14993	1.2
179.14305	2.6
186.09171	8.7
187.09889	2.3
187.36168	1.3
189.12735	16.0
195.06590	1.6
207.13806	90.5
225.14932	2.0
249.06010	1.4
269.72388	1.3
354.46472	1.5
466.45383	1.3
473.23688	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	473.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19036	1.5
51.13348	1.3
60.27667	1.7
65.38541	1.5
71.35107	1.3
72.71178	1.4
80.32764	1.4
81.07072	1.7
91.05473	1.6
91.25412	1.8
95.08590	2.6
105.07047	13.4
105.76100	1.8
109.10208	1.8
122.03657	2.3
133.06511	3.0
137.05986	100.0
161.05997	36.2
184.07391	2.0
199.07600	20.5
203.08627	8.0
213.92387	2.1
231.08018	19.9
232.08827	3.4
248.08305	16.1
259.07529	18.5
260.08289	13.0
261.09036	2.1
263.10699	14.7
276.07849	11.1
277.08466	2.3
291.10187	58.2
292.10974	7.0
295.13174	2.1
299.73462	1.9
304.86249	1.7
323.12772	41.9
405.16467	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73916	5.6
65.36832	5.9
72.94263	5.8
105.07053	10.2
137.05983	100.0
161.05983	29.6
173.11049	6.6
185.57784	7.2
186.34250	6.9
188.78693	6.3
199.07559	13.7
202.87999	6.3
203.08505	9.3
221.10034	8.8
222.11501	8.1
231.08130	10.9
248.08376	7.5
257.34482	5.8
259.07428	9.7
260.08499	11.3
276.07941	10.0
291.10123	68.6
323.12799	41.5
473.24792	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	473.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68143	1.6
69.03415	1.9
70.06591	3.7
72.08154	4.2
81.03424	2.9
85.02903	12.0
95.08623	3.8
105.07008	3.1
107.08612	1.9
119.08546	2.5
123.08049	2.9
129.06975	2.9
137.05983	100.0
144.08119	2.9
145.06514	15.0
149.09619	4.3
152.07019	2.4
157.06482	23.8
161.05963	13.6
162.06734	8.5
163.03914	2.9
169.06476	16.6
205.10194	6.9
207.13855	11.2
215.08560	2.7
221.09732	4.6
225.14729	2.1
233.09645	12.3
234.06546	2.2
249.09201	7.0
261.09045	20.3
281.11588	17.1
293.11652	17.1
311.12732	3.8
444.18661	2.5
473.19766	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	472.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	12.3
59.07387	3.8
60.08156	3.3
65.99206	2.3
68.75858	2.4
69.07076	2.3
74.88802	2.3
83.08630	3.1
133.65886	3.7
144.10204	9.1
155.92424	3.1
163.03929	3.3
170.54532	2.4
236.14932	100.0
255.21077	9.5
273.22180	13.3
322.75110	2.4
333.24393	2.7
355.05756	3.0
431.35123	2.9
454.35461	11.3
472.25168	5.7
472.36392	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64528	1.3
58.06601	16.0
59.07362	2.1
60.08167	3.3
69.07078	1.9
73.03928	1.2
92.90182	1.4
99.49543	1.7
115.97294	1.5
124.53261	1.4
144.10188	9.8
145.03526	1.4
160.80841	1.6
199.91566	1.5
236.14925	100.0
454.35385	9.7
472.36325	82.8
472.43015	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	472.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09245	0.4
55.05502	1.2
57.03434	1.4
57.07084	0.8
58.06329	0.7
58.06609	15.7
59.07378	3.1
60.08173	5.5
67.05500	1.4
69.07069	2.2
75.04485	0.8
81.07058	2.4
83.08601	2.4
85.02887	1.1
86.08186	0.8
87.04477	1.3
93.07043	1.3
95.08585	3.3
109.10168	0.9
113.06010	0.7
121.10130	2.4
131.07005	1.3
135.11705	1.0
144.10217	10.2
162.11238	2.4
218.13887	0.9
236.14923	100.0
454.35358	9.4
472.25418	2.1
472.36325	86.8
483.67130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14617	0.2
57.03430	1.7
57.07059	0.2
58.06613	7.5
59.07393	3.4
60.08177	3.7
64.81734	0.3
66.26286	0.2
67.05502	0.6
69.07072	0.6
75.04479	1.3
79.05500	0.2
81.03694	0.2
81.07046	1.0
83.08621	1.0
85.02924	1.0
87.04462	1.8
93.07047	0.5
95.08624	0.6
97.10186	0.4
97.60563	0.2
103.03957	0.3
105.05491	0.3
107.08541	0.4
109.10176	0.3
113.05953	0.3
121.10118	1.1
123.40831	0.2
131.07030	1.9
135.11774	0.5
144.10205	7.7
159.06567	0.3
162.11223	3.6
218.13794	0.4
236.14941	100.0
360.02689	0.3
373.29355	0.3
422.08411	0.3
454.35291	8.7
472.36359	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.6
59.26677	0.6
70.06580	1.0
71.52925	0.6
72.08158	3.1
86.09708	1.6
95.08631	0.8
101.60923	0.7
102.05529	1.3
125.58858	0.7
129.10257	2.7
144.08087	27.2
158.09674	1.0
163.03922	2.6
170.09641	100.0
171.10416	26.4
177.05524	0.9
183.90057	0.7
189.89946	0.7
201.08871	1.1
201.13866	5.3
202.14664	13.4
220.09671	1.6
277.44086	0.8
464.00543	0.8
467.76703	0.8
472.28140	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.9
70.06575	0.7
72.08155	0.6
81.07065	0.4
83.99414	0.3
86.09674	0.4
93.95181	0.4
94.95179	0.4
97.95939	0.3
103.64660	0.4
106.11452	0.4
144.08092	26.3
145.08891	0.7
158.09633	1.6
158.77307	0.4
170.09650	100.0
171.10426	24.9
187.12302	0.7
201.13884	5.1
202.14656	17.0
237.32074	0.4
300.08685	0.4
374.54434	0.4
449.88367	0.5
454.22403	3.7
472.23065	2.4
472.28122	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06276	0.5
57.03436	1.5
57.33534	0.6
58.06622	6.6
59.07381	3.0
60.08160	4.1
67.05510	1.2
69.07072	1.3
72.06456	0.7
72.93375	0.7
75.04474	0.9
81.07063	1.2
83.08609	1.1
87.04477	1.0
97.10187	0.7
127.97737	0.8
131.07022	1.4
144.10223	7.5
159.59573	0.8
162.11243	4.0
195.38121	0.8
236.14928	100.0
417.21957	0.8
454.35388	10.4
472.36346	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49431	0.5
54.90776	0.5
57.72144	0.6
58.06596	4.2
59.23789	0.5
69.03433	1.1
70.06598	2.9
72.08163	26.2
74.50584	0.6
84.08144	4.5
85.02902	4.0
91.03989	0.7
97.02904	1.0
98.09687	1.1
112.11253	14.4
123.04412	5.3
127.03899	1.0
129.13847	2.6
130.50157	0.6
138.56837	4.4
139.06908	1.3
139.56660	0.8
146.16595	0.9
165.05472	9.9
165.29878	0.6
183.01927	0.7
184.19627	0.6
222.11246	42.8
236.12814	18.7
236.14972	3.4
237.15331	2.8
253.15434	1.4
265.15671	0.8
274.10513	0.9
279.17105	1.3
293.18619	32.2
300.62494	0.7
301.12234	1.1
310.21259	18.7
384.16531	7.5
401.19272	0.8
455.23706	5.6
472.26532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86386	0.4
56.13619	0.4
57.03450	0.7
58.06358	0.5
58.06607	5.3
59.71980	0.5
63.79649	0.4
69.03431	2.1
70.06606	3.8
72.08164	17.6
84.08147	5.8
85.02900	3.4
97.02909	0.8
101.10842	0.6
101.77859	0.5
109.02852	0.8
112.11244	17.6
123.04405	6.5
127.03959	0.7
129.13858	3.1
129.14725	0.5
163.03880	0.7
165.05476	8.7
222.11261	11.6
236.12804	26.9
253.15533	4.2
265.15497	1.3
279.17026	0.6
293.18607	37.9
310.21237	28.1
384.16663	1.0
398.17981	1.2
455.23892	4.2
472.26559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56336	0.4
55.05523	0.5
56.12806	0.5
62.06099	1.0
68.58760	0.5
70.06586	0.6
70.98615	0.4
71.08633	3.1
81.07059	8.3
84.05402	0.4
86.06076	4.9
86.06519	0.5
96.08144	0.7
98.09705	2.0
99.08092	3.6
105.07024	1.1
109.06483	0.7
114.13099	0.5
116.10741	15.9
122.09671	1.1
127.07541	3.3
143.10712	2.2
145.08586	0.8
153.77542	0.6
154.15891	3.2
162.06715	1.0
163.04007	0.6
166.15909	1.3
170.11742	1.0
171.10114	2.6
178.06235	0.6
178.15912	1.0
179.06596	0.7
189.05486	0.7
190.06236	6.6
191.03412	1.1
191.06697	5.3
192.03722	0.8
193.08618	5.5
194.08986	3.4
196.17009	9.0
205.13356	1.3
206.05734	2.6
206.13696	0.8
207.06108	1.3
214.18027	100.0
221.08087	27.8
222.08444	23.7
224.16368	1.9
233.12868	2.7
234.13153	2.2
242.17513	19.9
288.18106	2.4
330.19183	0.6
340.24899	1.0
349.23572	0.6
374.18066	12.1
457.79276	0.6
472.15704	0.9
472.25778	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72808	0.3
51.38892	0.3
54.57867	0.4
57.98059	0.4
58.06600	2.6
60.97313	0.5
61.57210	0.4
63.02349	0.5
67.44356	0.4
72.08159	7.7
84.08150	2.1
89.03928	0.9
112.11250	6.6
123.04417	3.6
129.13869	2.0
135.04398	2.2
141.78731	0.5
145.02905	3.5
155.11800	0.8
163.03905	90.2
164.80739	0.4
165.05505	5.5
169.62422	0.4
215.98146	0.4
219.11263	1.0
220.09689	97.7
222.11311	0.5
236.12810	14.6
253.15485	0.7
293.18625	15.6
293.21738	0.9
310.21268	19.3
310.24756	0.8
350.65970	0.5
454.23297	0.7
472.24445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	1.9
63.61219	0.3
69.61129	0.3
70.06584	0.6
72.07811	0.5
72.08163	10.6
84.08144	0.5
100.07616	4.1
112.11240	1.7
123.04425	17.7
129.13875	0.6
135.04431	0.5
136.07542	1.3
142.98148	0.3
142.99483	0.3
145.02831	0.4
163.03899	21.9
164.04263	1.6
164.07025	0.8
165.04358	0.7
165.05481	19.5
178.04315	0.3
219.11427	0.4
220.09702	25.4
221.10110	1.9
222.11264	100.0
234.11319	0.8
236.12831	2.9
293.18558	3.5
308.94214	0.4
310.21191	4.6
386.73819	0.3
455.21170	0.4
472.24414	73.4
480.58542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32205	0.2
54.25703	0.2
58.06589	1.3
63.05975	0.2
70.06612	2.2
72.08160	8.4
84.08146	1.7
86.09697	0.9
89.03871	0.3
100.07603	1.0
110.09698	0.3
112.11256	3.3
113.07135	6.7
123.04424	5.5
129.13852	1.7
135.04436	0.5
137.05966	1.1
145.02831	1.2
146.16434	0.2
147.04393	0.3
155.11790	43.0
163.03900	34.5
163.04922	0.7
163.05331	0.5
165.05467	7.1
172.14442	10.5
172.15932	0.3
194.08090	0.3
219.11317	1.0
220.09688	62.7
222.11269	1.2
233.81989	0.2
235.10765	1.2
236.12814	15.4
253.15448	2.1
261.12512	0.2
265.15732	0.3
287.10214	0.4
293.18604	11.2
305.11301	2.0
310.21240	21.2
336.19141	2.3
362.86316	0.2
454.23502	1.4
455.21933	0.4
472.24469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15839	0.4
60.05634	0.5
67.45015	0.5
70.06599	6.2
72.08160	12.6
72.18124	0.5
75.09506	0.5
82.73793	0.4
86.09650	0.6
92.18388	1.0
97.07629	2.8
98.06042	0.7
114.10294	18.8
115.08652	1.0
123.04352	0.7
131.12933	0.7
144.08038	0.6
157.10829	0.7
163.03912	5.2
165.05504	0.5
170.09653	4.3
171.10400	0.7
220.09636	4.8
236.12717	0.8
252.06567	0.7
286.07053	1.8
300.08658	69.5
302.10275	2.5
309.06314	0.7
310.21399	1.1
313.09207	0.9
314.10199	1.2
316.11853	1.1
327.10028	7.0
328.08142	21.6
342.05478	0.6
342.09698	18.1
381.14499	0.6
413.17188	5.1
423.16449	0.8
440.19104	1.1
455.19257	16.7
472.21860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	1.1
65.86944	0.1
70.06591	0.4
72.08161	1.8
75.54673	0.2
83.09731	0.2
86.80808	0.3
86.92598	0.2
92.18426	0.2
92.97670	0.2
136.03909	0.3
144.08083	26.0
145.08864	1.1
150.05518	0.4
151.88402	0.2
158.09636	1.8
159.10440	0.4
163.03897	3.3
165.05527	0.4
170.09636	100.0
171.10417	22.7
180.34386	0.2
186.11534	0.2
187.12280	0.8
201.13840	5.9
202.14644	14.3
220.09671	3.2
235.14107	0.2
236.12857	0.3
249.32454	0.2
293.18564	0.4
301.18896	0.2
310.21109	0.4
327.02737	0.2
342.13498	0.2
383.15710	0.4
384.14081	0.3
401.17276	0.2
457.20508	0.8
472.20850	61.2
472.71881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99717	0.5
55.39877	0.6
70.10077	0.6
82.93883	0.6
83.75828	0.6
107.04962	0.8
117.07063	0.7
127.06844	0.6
133.02878	2.3
145.02788	1.1
147.04416	1.3
151.03844	0.8
161.02351	2.6
163.03873	3.6
164.04700	5.9
175.03902	2.5
175.07471	0.8
176.04691	7.0
177.05469	40.2
189.05571	0.8
190.06252	2.9
191.03395	1.1
191.07056	4.9
201.05560	0.8
203.07082	1.3
205.04877	1.4
226.57870	0.7
249.05530	1.3
258.40631	0.8
281.08127	3.2
301.12210	0.8
309.07669	2.6
337.07138	12.4
337.10910	1.2
353.10159	2.6
363.08795	0.8
366.07346	10.2
381.09702	80.3
408.12915	0.6
413.12308	100.0
472.19650	55.4
472.25253	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	472.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15827	0.5
69.96715	0.5
73.02891	2.0
101.94886	0.5
124.52476	0.4
133.10124	0.5
149.25331	0.5
151.03876	0.9
159.84685	0.5
161.05949	0.8
173.50793	0.6
195.06557	0.8
221.05911	1.1
249.05463	12.4
259.07901	0.5
266.05695	0.9
275.06870	0.9
277.04880	2.3
281.08102	6.6
291.06561	0.9
293.08069	0.8
294.05194	2.9
305.04456	1.9
309.07587	21.0
309.11060	0.9
319.05933	2.3
335.08963	0.8
337.07059	10.4
338.07816	3.1
353.10233	16.6
366.07242	6.5
381.09695	100.0
413.12302	52.8
461.99576	0.6
472.19662	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	472.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07969	0.5
51.46617	0.4
53.03953	0.9
55.01869	1.2
57.03417	0.6
58.06596	2.6
69.03439	7.0
70.06586	2.3
71.04986	1.1
72.08166	0.7
72.97363	0.5
73.02924	0.9
81.03420	6.7
84.04494	0.5
84.08147	0.8
85.02909	12.6
87.00840	5.2
90.24082	0.6
91.03981	0.6
91.05502	1.0
97.02889	4.3
99.04435	2.9
99.06832	0.7
103.05421	0.6
105.01856	3.3
105.07025	6.1
107.04974	0.9
109.02891	10.6
120.08115	12.7
122.09644	0.8
127.03918	11.6
128.06219	0.7
129.01862	1.1
130.05022	0.9
131.04915	3.2
143.10672	0.5
145.04951	0.7
147.02863	0.9
149.05971	0.9
159.02925	3.8
160.11212	75.8
178.12265	99.9
206.11766	23.2
224.12807	100.0
231.05014	0.6
386.18069	2.2
401.16644	0.6
428.19345	0.6
436.16107	2.5
454.16843	0.8
472.18161	73.3
472.64725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90947	0.4
55.01880	8.8
56.05014	0.5
59.38163	0.4
65.93651	0.4
70.06593	2.1
72.08154	2.2
76.03989	0.6
83.06116	0.8
84.04506	22.8
84.08154	0.8
85.02908	0.6
86.09709	0.9
91.77436	0.4
99.05648	0.6
102.05560	0.7
104.05350	0.5
110.07149	0.7
111.79795	0.4
112.03967	26.8
120.08086	0.5
127.07850	0.6
129.06596	9.1
129.10228	1.1
130.05002	100.0
135.02626	1.0
147.04424	0.9
149.04161	0.9
155.01610	30.4
159.02669	0.9
160.11227	5.3
163.02115	53.1
177.03687	4.5
177.05547	0.5
178.12282	4.4
181.03230	4.2
183.84801	0.5
197.02684	2.4
205.01328	1.0
205.03181	24.8
206.11656	0.6
222.05803	0.5
223.04228	31.1
224.12816	6.3
240.06822	0.6
251.03690	1.1
280.06467	0.5
306.07867	1.0
326.06900	9.8
343.09561	55.1
397.10651	14.0
405.97928	0.5
454.12732	0.6
472.13681	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
55.05513	2.3
58.27824	1.4
67.05478	1.8
68.32453	1.4
69.07057	2.7
71.31927	1.6
80.60245	1.8
81.07060	7.9
84.48248	1.4
91.05470	2.0
93.07057	11.1
95.08606	22.0
97.10117	1.7
99.08083	6.6
105.07057	13.9
107.08608	25.6
109.10182	14.1
119.08560	32.7
121.10140	29.1
123.11634	2.6
131.08560	22.2
133.10124	22.8
135.11678	20.5
145.10126	23.0
147.11685	70.1
149.13234	8.6
157.10110	1.6
159.11664	20.2
161.13269	12.5
163.11174	11.9
163.14827	7.3
171.11690	2.1
173.13278	7.8
175.14819	27.1
177.16380	40.9
185.13254	8.6
187.14815	42.8
189.16360	25.1
191.17937	3.4
199.14828	6.5
201.16382	99.5
203.17996	9.2
205.15883	100.0
207.17465	8.2
213.16209	2.7
219.17416	13.0
227.17961	2.3
247.16943	2.6
353.28387	1.8
371.99283	1.6
389.32220	3.3
406.27237	1.6
407.33057	39.2
425.34152	38.4
435.32492	7.8
453.33722	21.1
455.82297	1.8
471.34692	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08004	2.8
55.01880	3.4
55.05523	22.3
57.03447	22.8
57.07079	5.8
58.06599	14.4
59.07380	4.6
61.02633	4.0
61.02929	55.5
61.07827	2.6
67.05515	54.6
69.03432	22.5
69.07078	27.0
71.04993	4.2
73.02925	30.5
78.49493	2.5
79.05494	15.3
81.03400	14.6
81.07065	71.2
81.34982	2.5
82.50027	3.1
83.04996	4.3
83.08619	17.7
85.02907	56.2
85.06544	3.2
85.10178	3.1
87.04451	5.0
91.03958	30.5
91.05479	12.2
93.07059	20.9
93.25629	2.5
95.08602	42.0
97.02900	39.0
97.10190	4.0
99.04463	4.0
99.08084	12.4
101.02377	12.7
103.03947	5.2
105.07027	7.2
107.08590	12.7
109.02909	4.9
109.10165	19.4
115.03925	4.4
119.04333	2.7
119.08582	13.2
121.10130	16.5
123.11710	5.7
127.03921	18.5
129.05450	4.1
133.10146	14.0
135.11682	13.3
137.09584	2.9
137.13229	3.3
144.10272	3.9
147.11703	6.5
177.05554	4.5
183.06532	3.6
197.54321	2.9
217.19543	12.4
235.20567	11.7
236.14903	100.0
237.15240	52.9
309.24231	58.9
313.58768	3.3
417.26450	4.0
453.28317	14.2
453.34058	11.3
471.29388	89.9
471.35175	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
58.06596	2.0
59.07375	0.6
60.08158	1.9
75.04488	0.6
85.02916	1.1
87.04459	1.2
97.32187	0.4
129.56342	0.3
131.07021	0.5
138.56866	3.5
163.03955	0.4
189.66092	0.4
219.59311	0.3
236.14935	100.0
258.11676	0.4
263.66278	0.3
274.10428	0.4
276.12811	0.6
299.54245	0.3
300.62054	1.6
390.03641	0.3
401.58636	0.3
405.00250	0.4
440.36157	0.3
471.09634	0.6
471.29086	2.3
473.94464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25666	0.5
53.79613	0.6
55.85719	0.5
62.18606	0.6
67.05494	0.5
69.99782	0.5
70.06600	41.1
71.06931	1.1
72.08163	20.9
81.03411	0.6
81.07069	1.2
84.04498	1.2
84.05633	22.4
85.02920	0.8
86.09724	8.0
93.07086	0.8
95.08626	0.8
102.05553	0.7
103.28608	0.6
105.07009	1.1
109.10157	1.1
133.10127	1.1
138.10231	1.3
144.08121	0.9
155.12929	9.2
155.27902	0.7
159.11731	0.9
160.07649	0.9
170.09688	5.9
171.10184	1.1
183.12415	3.8
190.47147	0.7
197.12750	0.7
208.14493	2.6
215.14003	2.8
220.17047	1.2
225.13513	5.0
226.15520	44.5
229.13145	1.0
229.15483	30.8
230.15836	3.2
234.82919	0.7
243.13326	0.9
245.15462	0.9
245.40092	0.7
267.14474	0.7
280.20157	2.9
297.22867	72.9
307.21255	0.9
311.13699	1.0
325.22415	3.6
329.14789	1.3
339.24185	1.2
367.23419	18.8
409.24451	2.9
471.24466	100.0
485.42010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	2.6
70.06590	2.3
71.92890	0.5
72.08159	20.4
73.53741	0.4
80.81374	0.5
81.03446	0.7
83.63766	0.5
84.08147	0.6
85.02914	3.8
87.04458	0.8
97.02919	2.0
97.07629	0.7
98.06096	1.0
98.09692	7.3
101.55244	0.6
109.02892	0.6
114.09133	0.6
114.10287	11.0
115.08691	7.3
123.04429	6.5
127.03941	1.0
128.11844	3.5
129.10239	6.7
137.05971	2.4
150.09181	0.7
163.03824	4.1
165.05470	10.6
168.79271	0.6
177.05475	0.7
178.08617	1.1
179.07036	0.6
189.05745	0.6
219.47911	0.5
235.14410	14.1
236.12808	45.7
249.16537	0.7
250.14351	4.7
253.15474	8.6
278.15042	7.6
292.16580	5.4
295.17542	3.0
308.18439	0.7
309.19199	15.8
319.21259	0.8
321.22900	0.6
322.82278	0.5
339.24179	0.8
383.23068	0.9
453.23688	0.7
471.24551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60018	0.4
60.05647	1.1
69.07101	0.4
70.06583	2.6
71.58489	0.4
72.08157	7.3
79.05483	0.8
81.03412	0.5
84.08135	2.2
85.02924	1.1
85.06507	0.5
86.09698	0.8
88.73910	0.5
89.03908	0.6
93.07018	0.5
95.08595	0.6
97.02876	0.6
97.06527	0.6
97.07648	0.5
105.01837	0.6
105.07068	1.7
105.79854	0.5
107.08617	0.6
109.02869	2.2
114.10301	8.8
115.05233	0.5
115.08688	1.1
119.04977	0.6
120.96738	0.6
121.06557	0.6
123.04396	0.5
125.41649	0.5
127.03896	0.7
130.04150	2.0
131.04950	0.9
131.12915	4.3
133.02859	1.2
133.06506	4.0
133.10175	0.7
135.04390	0.9
137.05986	7.1
145.02873	2.1
145.10097	0.7
147.04410	4.9
149.05997	3.8
150.06757	8.3
157.10860	3.0
161.05984	23.1
162.06764	69.4
163.03909	15.5
163.07596	0.6
164.04231	2.2
170.09583	1.2
173.02351	1.8
177.05469	13.4
178.06274	6.2
187.03902	1.2
187.14958	0.7
199.03864	1.0
204.10262	0.6
205.15849	2.1
215.07063	2.3
217.05002	0.9
219.84444	0.6
220.09669	4.2
221.10080	2.5
222.11201	0.6
223.13258	0.7
223.16907	0.6
237.02853	0.6
241.07358	0.5
259.09775	2.2
263.15012	1.2
267.10336	0.5
273.11221	1.2
291.06555	4.1
293.07968	0.7
295.09839	0.8
299.09964	0.6
311.09131	2.0
323.09134	17.5
341.10284	4.9
341.80704	0.5
347.08704	0.5
390.37924	0.5
412.17578	0.6
453.21893	0.6
454.19556	0.7
468.54803	0.5
471.22504	100.0
471.73981	0.6
481.95261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2206
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
63.67674	0.6
81.07060	0.9
91.11570	0.8
98.32918	0.8
114.10225	0.7
146.97766	0.7
163.03937	1.3
170.09700	1.1
200.12482	0.8
203.05251	1.2
220.09692	0.8
225.69550	0.7
333.07855	16.0
335.09482	16.8
381.00995	0.8
425.44040	0.9
471.22043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22368	0.4
71.71931	0.4
79.74430	0.3
84.04494	2.6
85.02890	0.6
91.05463	0.6
105.07037	18.2
109.10170	0.5
122.09676	7.6
130.05011	0.5
133.06494	7.2
147.04408	1.9
149.05882	0.5
158.05763	0.4
161.05972	14.6
162.06752	5.5
163.03893	2.4
163.07491	0.6
175.03937	1.5
176.04628	0.6
177.05447	0.4
178.06273	4.4
189.05472	2.6
190.06252	23.9
191.03453	4.7
191.07042	3.0
193.08618	22.4
205.13441	2.7
206.05730	9.1
215.06795	1.9
220.09868	0.6
221.08092	100.0
233.12903	3.2
234.11215	5.3
248.74925	0.4
251.13898	14.6
342.77518	0.4
411.14133	0.9
432.96292	0.4
453.19943	0.5
471.16141	5.1
471.22208	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	471.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44300	0.6
60.08140	0.7
70.06580	1.5
72.08136	3.8
82.48557	0.8
82.70515	0.7
86.09667	1.2
86.70280	0.7
91.63246	0.8
92.18435	0.8
95.08589	0.9
98.06034	1.1
105.07005	4.4
107.04984	1.0
111.08020	0.9
115.08679	1.6
117.03436	0.7
121.06497	1.8
121.10095	1.2
130.04115	4.9
131.04895	3.1
133.02811	1.3
133.06512	6.9
137.05998	7.7
147.04456	9.3
147.11745	0.8
149.05995	8.8
150.06754	13.0
151.07524	1.1
159.04401	7.4
161.04755	1.3
161.05983	23.5
162.06764	100.0
163.03911	5.1
177.05470	10.4
178.06209	1.6
179.07028	1.6
180.07816	1.5
186.09169	1.0
187.03891	3.4
199.03937	5.5
207.08055	0.8
214.48256	0.7
217.04922	1.0
235.07640	0.8
249.09105	0.8
263.06952	1.4
267.10049	2.6
277.08545	1.0
291.06531	9.5
295.09613	3.3
305.08105	5.3
311.09042	4.8
323.09177	13.9
341.10138	7.8
351.08652	3.3
383.11206	19.3
454.18216	2.7
471.21176	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07273	1.0
55.38320	0.9
56.25324	0.9
56.58669	1.1
59.51335	1.0
68.60164	1.0
72.08167	1.6
85.02913	1.6
86.50328	1.1
88.31879	1.2
92.75796	1.3
104.80202	1.2
105.07042	2.4
121.06522	1.7
126.57934	1.2
130.04181	6.4
131.04897	1.5
133.06476	6.2
137.05995	10.9
146.03644	1.3
147.04454	8.9
149.06020	7.5
150.06770	14.6
159.04410	9.3
161.05977	29.1
162.06760	100.0
163.03877	2.5
177.05414	9.4
179.07062	1.2
180.07791	2.3
187.03955	6.9
192.62347	1.2
199.03912	5.6
212.10605	1.7
235.07718	1.8
238.12250	1.6
263.06882	1.5
291.06573	8.8
301.77109	1.3
305.08090	4.7
311.09195	4.6
323.09302	12.4
341.10284	7.6
351.08664	2.0
383.11264	20.5
454.18546	1.8
471.21341	51.3
471.29291	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	471.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19882	0.6
57.52842	0.9
72.39804	0.7
76.01731	0.7
84.04506	1.4
105.07047	12.7
122.09692	1.7
133.06502	19.3
147.04390	1.6
161.05971	38.9
162.06770	3.0
176.79785	0.8
178.06253	3.9
189.05534	1.2
190.06236	22.9
191.03366	3.7
191.07051	4.4
193.08617	26.0
205.13364	4.2
206.05780	7.5
211.82822	0.9
215.06819	4.5
221.08090	100.0
233.12857	8.3
383.31253	0.9
396.29303	1.1
411.14154	4.8
471.16238	19.3
471.21628	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	471.2017
Annotation	Limonin
Peak:m/z	Relative Intensity
60.72474	2.1
70.06113	2.1
91.05428	2.2
93.73560	2.2
97.25799	2.2
118.83541	2.1
126.86894	2.0
129.33806	2.1
131.04921	3.7
167.06999	2.2
177.05516	2.8
181.04869	4.3
195.10173	16.7
217.68654	2.3
219.10097	4.2
271.13464	3.4
273.14902	2.6
299.12799	3.2
317.13779	10.3
323.12695	3.7
335.12881	2.3
357.13309	14.8
379.15372	3.1
393.17105	4.1
425.19601	19.9
471.20007	100.0
471.30225	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	471.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64379	0.6
60.05653	6.1
69.03429	0.8
70.06590	6.7
72.08161	23.8
73.04064	0.8
81.03418	1.1
81.07065	0.7
82.06346	0.7
84.08147	1.9
85.02936	1.2
86.09686	0.9
93.07040	1.8
97.07678	6.3
98.06035	1.9
103.05455	1.8
109.02901	1.0
110.02394	5.1
114.10294	53.8
115.08690	16.8
119.25452	0.9
121.01864	0.8
121.06482	3.2
127.03853	0.9
131.04926	62.6
131.12930	13.3
145.02870	1.3
147.04399	1.6
152.07030	9.4
158.93242	0.9
159.08061	0.8
177.05458	4.6
187.07565	3.3
194.09268	1.5
197.05981	0.9
201.13879	28.5
202.12260	43.7
205.12271	1.5
215.06961	5.6
219.14949	1.6
223.13365	5.5
223.15256	0.8
244.14465	22.9
259.09570	1.0
261.17099	47.3
291.11914	0.8
303.66898	0.8
309.14758	3.7
316.88879	0.8
340.90601	1.0
411.03738	3.3
423.02448	0.9
471.18759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53191	0.6
57.03703	0.7
57.81462	0.7
63.44136	0.6
74.40312	0.7
79.05484	1.2
81.22400	0.8
88.12042	0.8
101.21307	0.8
103.05459	1.0
105.06385	1.5
105.07038	29.9
115.05459	4.9
121.30841	0.8
122.09648	3.2
131.04916	1.8
133.06490	46.5
137.05991	0.9
143.06070	4.4
147.04402	1.3
149.05974	1.5
161.05974	100.0
162.06769	1.8
163.03902	1.4
163.07529	1.6
175.03859	0.7
178.06224	1.0
184.04895	2.9
185.05809	0.9
190.06224	8.5
191.03435	1.4
191.06998	7.4
193.08614	27.5
205.13414	0.8
206.05782	4.4
215.06764	14.4
221.08064	37.3
234.11464	1.1
251.13889	5.0
326.48840	0.8
333.52103	0.8
411.14078	12.2
471.16296	44.3
471.22205	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	471.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45941	1.1
56.96567	2.4
58.06620	1.5
60.73758	1.0
70.06587	7.4
70.70699	1.3
72.08173	9.6
84.08127	4.7
96.50838	1.2
97.06512	5.6
98.97594	29.4
107.69608	1.1
109.08614	1.1
112.99156	8.5
114.10283	1.5
116.91958	1.2
116.98626	8.3
120.08047	1.3
123.04449	4.2
131.00172	10.4
134.18536	1.3
135.04404	2.3
137.05998	1.5
140.98582	1.7
144.98093	1.6
145.02832	2.8
149.01262	1.3
158.99675	22.5
162.06821	1.6
163.03900	32.9
164.04283	5.5
165.05472	1.8
170.09673	1.3
173.01198	18.3
177.00734	8.6
184.97658	5.2
191.02332	7.4
201.00697	2.8
202.98668	8.5
205.05385	2.1
215.07130	2.8
219.11302	1.9
220.09850	8.6
220.11555	1.7
221.10115	5.2
223.06393	13.4
223.13335	1.4
241.07504	5.6
244.99680	10.8
263.00720	1.5
265.07602	2.5
283.08627	7.3
283.11600	1.3
291.12204	2.3
323.02802	1.8
325.09637	4.8
339.11261	2.1
351.07507	6.8
369.08713	2.7
411.09778	2.9
470.73935	2.6
471.12695	100.0
471.22397	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82334	0.3
55.05499	0.4
57.03428	1.6
58.06607	9.2
59.07375	3.3
60.08168	3.8
66.66692	0.3
67.05498	1.3
75.04469	1.4
78.06533	0.3
81.07068	2.5
85.02924	1.2
87.04464	2.8
93.07056	0.6
95.08601	0.5
101.76881	0.3
103.03984	0.3
106.43271	0.3
109.10157	0.4
113.05991	0.4
123.11660	0.4
131.07021	1.3
133.10071	0.3
144.10202	7.5
147.43526	0.3
162.11252	3.8
197.48846	0.4
236.14917	100.0
238.95143	0.4
284.12125	0.3
408.34741	0.4
452.33762	8.1
470.34763	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	470.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
58.06611	14.8
59.07381	2.4
60.08176	7.9
67.05496	2.4
69.07058	1.2
75.04482	1.6
78.29867	1.1
81.07056	5.8
87.04482	1.5
91.05459	1.3
92.25925	1.1
95.08598	4.4
103.05465	1.1
144.10258	9.0
162.11302	1.5
163.02701	1.2
163.03900	8.8
177.18182	1.0
220.09726	6.4
221.15149	1.0
222.11273	1.2
236.14929	100.0
261.53552	1.5
272.23105	1.1
292.11197	1.0
408.34589	1.5
452.33630	10.6
453.34433	1.5
470.23050	8.8
470.34772	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53600	0.8
53.11383	1.0
55.05526	1.0
57.13319	0.9
67.05517	1.3
69.07072	1.4
72.08161	2.0
79.24157	1.0
79.42578	0.9
81.07066	1.9
83.04995	4.0
83.06109	6.7
84.04516	85.5
85.02900	9.2
86.06080	4.3
90.27699	1.0
98.09707	2.5
98.56451	1.0
100.07636	10.9
101.06021	4.5
101.07162	4.7
105.07039	1.4
109.10181	1.5
111.04450	16.5
116.10756	9.2
122.05994	1.1
122.09673	2.0
128.07091	72.5
128.90173	1.3
129.05568	3.8
129.06613	17.6
130.05057	12.5
131.60646	1.1
134.26250	1.1
143.10851	1.0
144.10231	4.4
146.08127	20.2
148.07588	1.9
149.13315	1.1
150.09183	1.9
154.08662	1.3
155.07092	1.4
166.15994	2.1
170.09628	1.9
176.07051	3.8
178.08574	4.0
194.08125	14.3
196.16931	8.9
203.17891	1.2
211.10771	9.3
212.09225	1.1
214.18036	100.0
221.09232	4.7
222.07756	4.0
239.10281	68.1
240.08678	1.7
257.11313	30.5
287.10437	1.4
344.44791	1.4
397.24213	1.1
398.21341	1.3
452.18103	2.2
465.56458	1.1
470.19589	4.8
470.28873	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	470.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75145	0.4
69.03433	0.6
72.08160	28.6
75.09229	0.5
81.03411	1.0
85.02892	6.2
89.03926	0.5
97.02900	2.0
112.11246	2.9
121.59171	0.5
127.03915	2.3
129.13867	3.4
135.04398	2.4
145.02849	3.7
145.04982	1.9
146.16486	0.7
154.02609	0.6
155.11734	1.9
163.03896	100.0
203.72127	0.5
220.09680	57.0
246.79619	0.4
291.17133	1.7
382.15005	6.2
399.17725	2.3
453.22241	4.9
459.99268	0.5
470.24969	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69744	1.3
58.06600	6.2
58.84805	1.7
65.99769	1.6
67.38930	1.4
70.06586	11.7
72.08154	23.9
84.08150	3.6
86.09720	2.4
92.89368	1.6
112.11274	6.1
113.07131	3.1
119.04932	3.0
129.13887	3.5
137.05984	9.2
142.30980	1.4
145.02859	3.4
147.04417	100.0
147.12799	1.5
155.11778	25.2
163.03917	36.3
168.98843	1.5
172.14493	3.6
177.05396	2.8
204.10214	69.5
218.08153	2.0
219.08957	12.2
220.09691	57.4
234.11284	2.9
250.14365	11.0
269.54538	1.8
273.00327	1.5
291.17020	2.3
305.88116	1.7
307.20044	12.2
324.22751	15.1
357.34860	1.7
431.99170	1.7
452.20825	2.1
462.84567	1.9
470.22604	71.3
470.26968	56.0
488.61819	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	470.242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31262	0.3
55.87066	0.3
58.06578	0.8
66.50118	0.4
67.05286	0.3
71.26382	0.4
100.79351	0.4
110.94423	0.4
119.47569	0.4
142.06241	0.5
144.08087	29.7
145.08897	1.0
158.09641	2.7
170.09639	100.0
171.10417	21.5
186.11559	0.6
198.12811	0.6
199.12302	5.5
201.13860	7.4
202.14642	12.6
224.35384	0.5
253.82140	0.5
270.10944	0.8
283.18002	0.5
285.28262	0.4
303.93445	0.5
353.86832	0.4
370.49805	0.5
470.24155	77.1
470.74170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06870	0.4
56.05035	2.2
58.06592	1.9
67.05483	0.5
67.47013	0.6
67.68406	0.4
68.18603	0.4
68.37699	0.4
70.06596	4.2
71.04981	3.0
72.08162	19.8
81.07027	0.5
84.04478	0.5
84.08150	4.7
85.02878	0.6
85.06548	4.3
86.09711	1.8
91.05461	0.6
98.06047	3.6
100.07612	7.0
101.07166	0.4
104.32500	0.5
105.07086	0.6
107.08588	0.5
109.10136	0.7
112.07630	0.6
112.11237	2.2
120.06419	0.5
129.10275	0.9
129.13866	1.8
133.10138	2.9
135.04405	0.7
145.02869	2.1
146.16525	1.0
151.11185	1.9
155.11823	4.2
163.03896	36.6
169.12187	2.3
172.14407	1.1
190.05331	2.7
219.08867	2.3
220.09685	32.4
234.11305	3.1
281.11194	1.0
282.07678	2.0
283.05927	8.6
291.12570	0.5
291.17007	3.9
308.19775	4.7
324.08994	0.5
325.07162	1.0
340.11716	0.8
354.13339	8.2
371.15869	7.3
381.14468	3.0
382.12711	4.5
386.16391	1.0
396.14438	1.8
396.76794	0.5
399.15555	1.0
434.18396	2.0
452.19119	3.3
453.20184	6.2
470.22943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45475	0.2
58.06609	0.3
58.42989	0.2
62.57941	0.2
67.38356	0.2
69.13994	0.2
70.06574	1.3
70.25340	0.2
71.51585	0.2
72.07806	0.3
72.08164	6.1
79.36579	0.2
84.08155	0.2
86.09684	0.3
114.09177	0.2
125.15484	0.2
135.04404	0.5
145.02817	0.8
155.11835	0.8
163.03909	53.0
180.06441	0.3
192.06616	0.3
198.93607	0.3
220.09694	100.0
234.11235	0.5
243.02988	0.3
243.63872	0.2
251.13977	0.3
308.19727	1.1
452.10443	0.2
470.22888	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	470.229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98577	0.3
58.06594	0.8
63.26105	0.4
68.14851	0.4
70.06573	1.9
72.08160	13.0
74.33672	0.4
75.09239	0.5
82.66652	0.5
84.08132	0.5
89.03892	0.5
90.40250	0.4
95.33690	0.4
100.87320	0.4
104.10708	0.5
112.11239	1.7
129.13887	2.1
135.04382	2.1
145.02832	3.3
146.16502	1.9
147.04326	0.4
155.11850	3.1
161.05864	0.4
163.03897	83.6
167.07025	0.8
170.09657	0.7
172.14397	0.5
184.07393	0.7
219.08821	0.5
219.11201	0.5
219.56958	0.4
220.09683	100.0
222.11305	0.5
234.11330	4.8
237.12454	0.9
239.28651	0.4
251.14122	0.5
291.16968	3.1
308.19699	6.4
344.35468	0.5
375.92813	0.5
452.21655	0.5
470.22852	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.5
57.30081	0.4
58.06594	1.9
62.19119	0.4
67.24835	0.4
70.06597	2.8
72.08158	12.5
84.08136	1.7
98.06044	1.0
101.07146	3.5
110.09676	0.4
112.11273	1.6
113.07133	8.0
121.47469	0.4
123.04397	1.3
135.04407	2.5
147.04428	1.0
155.11792	32.5
162.03131	0.6
163.03896	10.8
165.05507	0.6
172.14433	7.9
208.09691	0.7
218.08173	2.1
219.08893	19.0
220.09680	33.8
234.11238	0.9
235.12215	0.4
236.12935	0.5
246.11339	0.5
257.08112	2.0
263.13834	0.5
290.18729	0.8
291.16940	4.1
308.19720	4.2
370.16504	0.9
381.14438	0.7
396.14230	0.5
442.23044	0.6
452.21906	1.6
453.20151	1.9
470.22845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12909	0.6
58.06612	4.4
70.06591	3.5
72.00829	0.5
72.08161	18.6
84.08152	11.6
98.06032	0.9
100.07603	0.6
101.44068	0.6
112.11246	32.4
112.12025	1.2
129.13873	11.6
155.11798	5.5
163.28134	0.5
171.66663	0.6
186.47627	0.6
188.60205	0.6
196.00769	0.7
210.30315	0.6
232.09668	1.0
235.07599	1.0
251.06978	0.8
255.06505	0.9
263.07019	5.1
279.06439	5.9
281.08090	1.3
283.05997	5.4
297.07373	0.8
307.05933	0.7
324.08774	6.0
325.07220	2.5
381.14511	2.5
382.12875	3.7
396.14178	4.2
399.15457	5.7
426.95840	0.7
452.21808	3.0
453.20236	7.2
470.22864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
57.50661	0.2
58.06366	0.2
58.06613	3.9
70.06593	2.1
72.08162	16.5
75.09235	0.2
84.08150	11.4
85.62666	0.2
89.10806	0.4
97.56187	0.2
98.06043	1.3
98.09695	0.3
99.14005	0.2
100.07623	0.4
110.09673	0.4
112.11249	36.0
113.07136	0.8
114.09180	0.4
115.08703	0.4
123.04477	0.6
129.13881	13.3
146.16551	0.5
155.11797	4.3
163.03842	0.3
172.14381	0.8
194.07944	0.2
218.08151	1.1
231.11235	0.2
232.09801	1.3
235.07489	2.3
251.07005	1.0
255.06454	0.8
256.07419	0.2
257.08148	0.5
260.09155	0.8
263.07022	6.0
265.05029	0.8
269.08124	0.7
279.06543	6.3
281.08057	2.8
282.07648	0.9
283.05991	3.5
283.08911	0.3
296.09195	1.3
297.07532	1.9
299.80264	0.2
307.05981	0.5
309.07758	0.8
324.08655	4.2
325.07111	1.3
336.12494	0.3
354.13303	0.7
364.12112	0.3
381.14441	2.4
382.13007	2.1
395.16025	0.2
396.14484	3.1
399.15524	7.5
413.17276	0.3
442.23111	0.3
452.21991	2.2
453.20190	5.0
470.22879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89172	0.6
55.48332	0.6
58.06602	0.7
59.57222	0.6
67.93447	0.5
70.06570	0.8
72.08160	12.4
75.09229	1.1
75.75153	0.5
79.69669	0.6
84.08131	1.3
112.07636	0.8
112.11237	3.5
123.04422	1.2
129.13879	4.3
135.04384	3.0
145.02850	4.8
146.16544	3.2
155.11755	2.6
163.03905	94.7
220.09700	80.2
222.11273	0.8
234.11273	7.3
237.12341	0.8
280.21472	0.7
291.16968	6.8
297.15192	0.6
308.19690	10.2
453.20398	0.7
470.22858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87085	0.4
58.06597	0.9
59.97324	0.3
70.06576	0.8
72.08160	11.7
75.09233	1.9
78.38741	0.4
79.96893	0.4
84.08154	0.7
112.07592	0.7
112.11245	4.4
117.03396	0.7
129.13882	5.8
131.49205	0.4
135.04408	2.9
145.02879	4.4
146.16541	4.5
155.11787	4.2
163.03906	100.0
190.05011	0.9
218.08142	13.4
219.09032	0.5
219.11263	0.9
220.09694	60.3
234.11229	10.9
237.12352	0.8
251.13748	0.6
290.18542	0.5
291.17041	8.4
308.10794	0.4
308.19672	11.9
401.03934	0.5
442.14648	0.4
452.21820	0.6
453.20251	0.5
470.22906	97.4
479.17337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
58.06607	3.8
62.40734	0.4
67.49953	0.4
69.03442	0.4
70.06599	6.9
72.08162	19.5
84.04500	0.7
84.07679	0.5
84.08152	8.9
85.02909	0.8
86.09695	0.7
93.77975	0.4
97.12099	0.4
98.06049	0.8
98.09689	0.7
100.07619	2.7
103.81303	0.4
105.07035	0.5
109.02882	0.4
110.09683	0.6
112.07603	0.8
112.11242	18.6
113.07120	1.7
114.09179	0.5
114.10305	0.7
115.08669	0.6
116.74855	0.5
123.04428	2.2
126.05512	0.5
129.10240	0.5
129.13876	5.9
130.06566	2.8
134.04491	0.6
135.04460	0.4
145.02977	0.4
146.16660	0.4
154.80586	0.4
155.11786	8.9
163.03900	8.7
163.40491	0.5
164.04259	1.0
172.14442	0.6
173.64603	0.4
174.82022	0.4
211.42015	0.4
220.09702	2.8
255.06648	3.0
255.08994	0.4
257.08118	1.5
263.06958	0.6
265.04953	0.7
269.69095	0.4
279.06546	2.2
281.08273	0.6
282.07669	0.5
283.06067	5.5
291.09802	1.5
297.07739	0.9
298.07126	0.7
324.08795	2.3
324.63474	0.4
325.07016	1.6
340.08240	0.8
351.64417	0.4
354.13382	0.8
381.14505	2.2
382.12903	3.2
396.14526	3.7
399.15408	3.5
413.17163	0.7
452.21649	3.0
453.20123	5.9
461.22076	0.5
469.72745	0.6
470.22876	100.0
470.73340	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	470.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	1.8
67.48380	0.3
70.06592	1.8
72.07805	0.6
72.08161	10.9
75.09229	0.3
84.08146	1.6
92.67947	0.4
98.06044	0.5
99.91070	0.3
101.07147	3.6
112.11232	0.9
113.07126	6.8
123.04438	0.5
129.13853	0.4
135.04413	2.2
140.16374	0.3
147.04398	0.4
151.03922	0.4
155.11787	33.5
163.03885	11.1
165.05492	0.8
172.14459	8.2
208.09641	0.5
218.08125	1.8
219.08920	17.8
220.09685	28.9
234.11319	0.8
236.11485	0.5
252.14627	0.5
257.08102	2.5
280.20145	0.6
291.17047	3.0
299.09122	0.7
308.19632	2.8
370.16302	1.3
381.14493	0.5
396.14178	0.7
452.22220	0.4
453.20267	2.0
470.22870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	1.9
58.06601	1.5
65.10000	0.4
66.67125	0.4
69.41164	0.4
70.06599	4.4
72.08158	7.8
74.09725	4.0
84.08147	4.8
86.06034	0.6
96.08122	1.9
97.06470	0.4
98.06055	0.4
98.07165	0.8
98.09699	0.5
100.07591	3.4
104.64225	0.5
110.09668	0.5
112.07606	5.0
112.11254	1.8
113.10767	0.8
114.09188	3.0
129.10233	0.6
130.15918	100.0
143.06915	4.0
144.07275	0.7
155.11815	1.0
157.81483	0.4
163.03902	0.7
167.99384	0.4
209.16483	6.8
220.09850	0.5
226.19215	0.5
227.17599	2.2
240.06738	0.6
254.08170	0.5
282.07593	4.8
284.09509	0.5
322.24960	7.4
324.08890	3.1
339.13132	0.6
340.25925	25.2
353.15140	1.7
367.16504	0.8
381.14688	0.7
394.17450	0.7
395.16214	0.9
422.20844	0.7
433.22556	2.3
434.20993	1.7
451.23346	2.9
452.22137	1.9
469.24652	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99059	1.5
55.05529	24.5
55.67393	1.4
57.07077	13.2
57.57496	1.6
67.05500	10.4
69.06749	1.8
69.07076	27.9
69.74114	1.6
71.08617	3.6
79.05489	6.9
81.07071	22.1
83.08177	2.5
83.08629	32.5
83.86431	1.4
85.10180	2.6
86.10494	2.2
89.05992	7.9
91.05447	2.7
92.17876	2.4
93.07039	9.4
95.08612	20.6
97.06528	1.9
97.10172	42.0
105.07031	6.3
107.08627	12.4
109.10136	9.7
111.08080	2.7
111.11687	2.7
119.08565	7.0
121.10119	2.8
123.08115	1.5
123.11699	3.8
125.09639	19.9
133.10115	10.8
139.64742	1.9
147.11687	4.1
161.13193	2.4
165.12683	1.7
189.11212	12.5
226.20410	1.7
263.23672	3.7
278.34839	1.7
452.36710	13.7
469.35217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83969	2.2
55.05532	30.3
57.07078	13.1
60.82212	2.3
67.05513	15.3
69.07075	41.4
72.15972	2.8
73.94491	2.5
74.07369	2.4
74.34588	2.3
78.07243	2.6
79.05485	3.9
81.07067	28.6
83.08627	42.4
91.05505	3.8
93.07019	11.0
95.08611	24.1
97.06528	3.5
97.10174	57.7
107.08585	18.0
109.10164	15.8
111.11703	3.2
119.08575	12.5
121.10159	3.7
123.11759	4.4
125.09624	27.5
133.10147	13.5
147.11661	5.4
161.13214	5.1
169.03416	3.0
189.11195	12.5
203.74399	3.0
263.23660	4.3
469.35321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3321
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.47377	2.4
55.05509	3.3
55.62008	2.3
67.05537	2.3
68.17900	3.0
69.07072	5.5
74.59961	2.9
79.05527	3.2
81.07063	21.6
83.04997	14.0
83.08616	3.7
91.05481	4.1
93.07056	19.2
95.04996	2.8
95.08612	41.2
99.08109	4.5
100.74961	2.7
105.07038	30.2
107.08611	39.8
109.06517	4.1
109.10190	21.7
109.71554	2.5
119.08571	38.3
121.10158	42.1
123.11707	17.9
125.09668	4.8
131.08611	19.2
133.10153	42.4
135.11688	14.7
137.09689	3.1
143.08586	11.3
145.10094	38.7
147.11710	23.6
149.13272	6.2
157.10133	16.5
159.11688	31.9
161.13341	18.2
163.14790	3.7
167.18889	2.5
171.11737	12.6
173.13297	31.5
175.14839	17.7
177.16452	3.4
179.80583	2.7
183.11758	5.4
185.13275	20.5
187.14832	51.8
189.16377	12.5
197.13309	5.0
199.14835	31.4
201.16420	39.4
203.14255	19.3
205.15891	19.8
211.14862	11.7
213.16347	25.8
215.17990	4.5
217.15936	3.8
219.17477	11.2
227.18007	3.4
233.15459	4.5
241.19511	3.9
245.15407	4.0
249.14944	3.8
267.21094	6.6
286.06909	3.0
405.31491	39.2
407.33084	18.6
423.32663	12.5
433.31012	15.0
451.32043	24.2
469.33096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04366	2.2
55.01881	3.8
55.05512	14.1
57.03439	17.8
61.02935	56.2
61.15991	2.4
67.05514	46.4
69.03445	27.6
69.07072	11.2
71.04995	3.4
73.02918	20.9
79.05500	38.8
81.03427	11.8
81.07060	43.0
82.08018	3.0
83.08634	4.3
85.02916	56.4
91.03961	34.4
91.05481	17.5
93.07053	66.2
95.04948	4.9
95.08613	37.7
96.20628	2.8
97.02892	34.3
99.04465	4.6
99.08092	4.8
101.02383	5.9
103.03951	3.0
105.07030	19.0
107.08609	24.4
109.02888	5.3
109.10155	20.1
111.25859	2.7
117.07014	3.6
117.82476	2.3
119.08582	14.1
121.10159	29.3
123.11682	4.2
127.03912	16.8
130.88316	3.2
131.08589	17.3
133.10158	6.2
135.11694	17.2
145.05008	3.8
145.10165	14.3
147.11728	5.5
149.13274	4.6
159.06491	3.5
159.11688	5.7
172.96048	2.8
173.13261	3.7
187.14772	2.9
189.85701	2.4
215.17949	6.4
233.19012	12.7
245.25597	2.5
307.22693	50.3
451.26730	6.4
469.28015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94953	0.6
58.06596	2.7
63.65137	0.6
67.58370	0.6
68.71224	0.6
70.06599	9.1
72.08158	12.3
84.08151	3.9
95.04955	1.5
95.24048	0.6
98.06066	0.8
98.09705	2.5
100.07593	1.0
101.07155	0.9
110.09644	2.5
111.09235	0.9
111.53059	0.6
112.07590	3.5
112.11240	6.5
113.07140	7.2
113.11604	1.1
122.06033	2.8
123.04440	7.9
129.13867	1.6
140.04686	0.7
147.04407	0.9
155.07034	3.7
155.11790	32.7
162.05461	7.7
163.03920	6.5
167.07016	0.7
172.14450	7.0
172.67111	0.7
181.04921	0.9
183.06555	3.3
193.07207	0.7
208.09689	0.9
218.08212	0.8
219.08960	2.9
219.11349	0.9
220.07661	1.3
220.09700	27.1
225.07573	1.3
233.12823	1.3
235.14476	0.8
245.12790	0.7
256.09695	8.8
266.87326	0.7
269.04410	5.0
270.04724	6.4
275.13837	1.2
282.07455	2.6
290.18616	3.3
298.04718	0.7
307.21255	0.9
324.08899	1.0
356.16104	1.2
380.13080	4.2
381.15063	0.8
451.23560	1.5
452.21774	1.2
469.24799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84237	0.2
59.05002	0.3
60.80236	0.3
66.12379	0.3
69.07066	0.7
71.08640	3.2
72.04522	2.4
72.08165	0.3
76.68706	0.3
84.08153	0.5
85.02895	0.3
85.06546	1.6
87.08117	0.5
88.10136	0.3
88.10720	0.6
88.11273	25.4
90.05561	47.7
95.04962	0.6
98.02427	2.2
100.03970	0.4
103.07592	2.1
112.00355	0.3
116.03459	7.0
124.07602	2.6
142.08641	2.0
146.67384	0.3
155.36821	0.3
156.10201	0.4
160.09685	0.6
166.08617	0.7
174.11270	1.3
175.38954	0.4
184.09682	13.8
202.10754	24.0
220.11803	100.0
382.17090	10.3
392.32370	0.3
402.50906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88009	0.8
53.03954	2.1
55.01870	5.6
55.05529	10.4
57.03428	1.6
57.04361	0.9
57.07084	1.9
61.02926	2.1
67.05489	3.6
68.20459	0.9
69.03440	21.9
69.07079	8.6
71.04982	2.3
73.02921	5.0
77.95089	1.0
79.05486	1.4
81.03433	17.0
81.07068	34.8
83.04985	4.0
83.08635	4.0
85.02417	1.8
85.02909	40.9
87.00832	14.1
87.04537	1.1
91.03953	1.2
91.05474	3.9
93.07059	10.0
95.04964	3.7
95.08604	18.1
97.02898	19.7
97.06533	0.9
99.04482	9.2
105.01865	14.7
105.06384	1.9
105.07044	38.9
107.08592	11.2
109.02894	20.3
109.06520	6.6
109.10165	16.8
115.03970	1.3
117.01849	1.6
117.06968	1.1
119.08586	54.9
121.10151	19.2
123.11712	6.7
127.03922	31.5
129.01918	3.6
131.08589	1.8
132.08716	1.1
133.10130	32.6
135.11699	4.9
143.08543	1.4
145.04961	10.7
145.10139	7.5
147.02850	1.1
147.08044	11.9
147.11700	73.5
148.36118	1.0
149.13246	4.3
159.02893	12.0
159.11699	6.1
161.09621	4.0
161.13264	27.0
165.09074	2.2
167.07047	1.1
173.13258	1.6
175.14856	8.8
183.11749	1.1
185.13254	2.0
188.11975	1.5
201.16431	1.5
202.16830	1.2
203.14326	22.2
203.17966	100.0
205.19577	1.3
221.08099	5.6
221.15402	12.8
221.19005	18.2
231.05032	5.3
249.06140	1.8
286.09116	1.8
289.05371	6.2
314.08621	1.9
337.70190	1.1
344.09424	1.0
360.11224	1.0
386.48578	1.0
426.85474	1.3
451.22992	1.8
469.19641	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	469.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01884	5.9
55.05517	1.5
57.03426	3.1
57.07074	1.6
61.02932	1.3
67.05492	3.7
69.03436	12.5
69.07076	7.1
70.06583	1.1
71.04988	3.2
72.08149	1.3
73.02914	3.7
74.05064	0.7
79.05491	3.9
79.87205	0.7
81.03427	11.8
81.06614	1.0
81.07069	25.3
83.08633	1.3
84.23186	0.7
85.02419	1.2
85.02911	34.4
85.04041	0.6
86.09689	1.0
87.00826	13.9
91.03912	1.0
91.05467	4.5
93.07063	6.4
95.04951	0.7
95.08610	16.5
96.08137	8.5
97.02899	17.5
97.06504	1.6
99.04467	8.7
105.01880	10.6
105.07035	38.9
107.08598	7.4
109.02888	13.6
109.10164	11.0
113.10734	3.0
114.09171	86.4
115.07529	0.9
117.01859	1.0
119.08584	50.1
120.08138	0.9
121.10149	14.5
123.11732	6.4
127.03918	24.1
129.01845	3.7
131.08525	1.3
133.06459	0.8
133.10121	15.7
135.11694	6.0
145.04958	11.4
145.10129	3.4
147.02737	0.9
147.11691	74.0
149.13167	1.3
159.02895	11.7
159.11481	3.6
161.09535	0.8
161.13263	9.3
163.14789	1.0
165.12662	0.8
166.68581	0.9
167.07057	0.8
175.14821	1.5
201.16359	1.1
203.17957	100.0
209.16476	6.9
212.16432	1.0
221.15445	0.8
221.19003	18.2
226.19127	1.7
227.17462	7.8
228.15897	4.2
231.05006	4.8
244.20209	0.9
255.17105	8.2
270.40298	1.0
272.19565	1.8
305.63620	0.8
322.24884	1.1
340.25851	1.3
341.24179	1.1
368.25473	1.1
385.28448	1.0
425.21207	1.4
433.22147	1.3
451.18820	1.5
451.32913	1.2
469.20325	30.4
469.33868	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01884	5.9
55.05517	1.5
57.03426	3.1
57.07074	1.6
61.02932	1.3
67.05492	3.7
69.03436	12.5
69.07076	7.1
70.06583	1.1
71.04988	3.2
72.08149	1.3
73.02914	3.7
74.05064	0.7
79.05491	3.9
79.87205	0.7
81.03427	11.8
81.06614	1.0
81.07069	25.3
83.08633	1.3
84.23186	0.7
85.02419	1.2
85.02911	34.4
85.04041	0.6
86.09689	1.0
87.00826	13.9
91.03912	1.0
91.05467	4.5
93.07063	6.4
95.04951	0.7
95.08610	16.5
96.08137	8.5
97.02899	17.5
97.06504	1.6
99.04467	8.7
105.01880	10.6
105.07035	38.9
107.08598	7.4
109.02888	13.6
109.10164	11.0
113.10734	3.0
114.09171	86.4
115.07529	0.9
117.01859	1.0
119.08584	50.1
120.08138	0.9
121.10149	14.5
123.11732	6.4
127.03918	24.1
129.01845	3.7
131.08525	1.3
133.06459	0.8
133.10121	15.7
135.11694	6.0
145.04958	11.4
145.10129	3.4
147.02737	0.9
147.11691	74.0
149.13167	1.3
159.02895	11.7
159.11481	3.6
161.09535	0.8
161.13263	9.3
163.14789	1.0
165.12662	0.8
166.68581	0.9
167.07057	0.8
175.14821	1.5
201.16359	1.1
203.17957	100.0
209.16476	6.9
212.16432	1.0
221.15445	0.8
221.19003	18.2
226.19127	1.7
227.17462	7.8
228.15897	4.2
231.05006	4.8
244.20209	0.9
255.17105	8.2
270.40298	1.0
272.19565	1.8
305.63620	0.8
322.24884	1.1
340.25851	1.3
341.24179	1.1
368.25473	1.1
385.28448	1.0
425.21207	1.4
433.22147	1.3
451.18820	1.5
451.32913	1.2
469.20325	30.4
469.33868	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01874	4.5
55.05511	10.3
57.03444	2.5
64.96139	1.8
65.51838	1.8
67.05515	25.9
68.99396	1.5
69.03442	16.5
69.07067	21.7
71.05006	4.6
73.02918	3.2
75.30542	1.8
79.05491	10.4
80.04305	1.8
81.03434	19.9
81.07067	45.7
83.04978	3.4
83.08620	8.1
85.02909	40.6
85.06541	3.8
87.00819	17.8
88.76800	1.7
91.05487	19.6
93.07056	100.0
95.04964	8.5
95.08618	46.3
97.02900	16.1
97.06536	9.0
99.04472	8.1
103.03962	2.6
105.01899	13.1
105.07041	46.6
107.08605	49.8
109.02903	19.8
109.06525	4.4
109.10163	79.9
111.04437	2.9
111.08083	25.4
115.03953	2.8
117.07005	3.7
119.08584	49.8
121.06496	2.9
121.10157	33.6
123.08096	4.2
123.11726	14.6
125.06036	2.0
125.09634	12.4
127.03927	19.8
129.05446	2.8
131.08562	9.7
133.10143	31.1
135.08038	3.7
135.11707	41.9
137.09653	7.3
137.13290	2.3
143.08624	2.8
145.04990	4.3
145.10147	15.4
147.11696	57.7
148.83054	1.9
149.09602	4.5
149.13284	8.2
151.07539	3.2
151.11192	1.9
155.08574	2.0
157.10100	4.7
159.02856	4.4
159.11682	19.8
161.09619	3.3
161.13290	19.5
163.11191	2.0
163.14798	2.5
165.12749	7.0
171.11696	9.5
173.09700	2.5
173.13272	9.5
175.11168	2.2
175.14822	2.6
177.12779	2.8
181.10065	2.3
183.11774	3.0
189.03978	3.8
189.16417	2.5
191.10536	2.0
201.16338	4.3
203.17990	57.2
205.12238	2.1
213.16451	3.2
215.17911	3.8
219.17461	2.6
221.19028	12.8
229.86719	2.3
231.05092	2.6
231.17723	1.9
233.18935	2.4
245.19055	3.3
257.30457	2.0
303.10645	3.7
311.20074	8.3
329.21179	10.7
415.21356	4.0
433.22333	14.2
451.23535	22.5
469.24561	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	469.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06504	0.4
57.03396	0.5
64.57330	0.4
69.03415	0.6
70.06605	1.7
72.04518	0.6
72.08175	4.9
73.02918	0.6
73.06750	0.4
81.03387	0.5
85.02902	7.2
85.06568	0.4
89.10836	0.4
90.05569	10.0
91.03919	0.5
91.05894	1.1
97.02916	2.1
98.02470	0.5
99.04504	0.5
103.07635	0.6
109.02896	0.4
114.09148	0.6
114.10298	3.6
115.08684	0.9
116.03452	0.9
127.03931	2.9
128.11839	8.5
129.10252	2.8
135.04428	0.9
138.82774	0.4
143.09004	0.6
145.02844	2.9
145.04970	1.8
145.14476	0.8
159.09157	2.0
160.07616	3.1
163.03908	100.0
184.09657	0.8
185.09967	2.0
186.09148	2.4
187.09607	0.9
202.10732	3.0
203.11069	2.4
203.69170	0.5
220.11795	11.6
221.12151	9.8
233.12834	4.2
234.11223	5.5
251.13969	0.9
276.13403	0.8
276.99255	0.5
289.11630	0.8
290.14999	0.7
307.12878	0.8
307.17599	4.0
307.20731	0.5
433.15900	1.9
441.08063	0.5
452.19952	0.6
469.22821	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05645	1.2
64.91102	0.2
69.03426	0.3
70.06586	0.8
72.08154	4.2
84.08110	0.3
85.02927	2.4
89.10777	0.5
92.18365	0.3
97.02885	0.9
97.07644	0.3
98.06052	0.3
114.10294	19.8
115.08707	2.8
117.03383	0.8
131.12924	7.1
131.13889	0.3
145.02847	11.7
145.03990	0.5
157.10843	1.4
163.03902	3.3
177.05467	100.0
247.14368	4.8
248.12798	4.4
265.15585	1.1
290.14981	6.0
307.17621	16.4
356.55023	0.3
469.22931	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93651	0.4
60.05637	0.8
62.25111	0.4
62.50526	0.4
69.03420	0.4
70.06590	0.7
72.08171	6.5
89.10768	0.8
90.96358	0.5
96.17638	0.5
97.07681	0.7
98.06024	1.1
114.09147	0.5
114.10303	13.6
115.08707	4.5
128.11873	3.6
131.12941	3.4
132.19794	0.5
145.02866	15.6
146.05948	0.5
157.10838	0.8
163.03899	20.4
165.51262	0.5
177.05476	100.0
185.05249	0.5
233.12817	1.2
234.11305	3.2
247.14384	3.0
248.12889	4.5
276.47852	0.6
290.15030	5.5
307.17639	11.3
331.56799	0.6
469.23001	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03223	1.2
53.03948	1.6
53.42784	1.0
55.01883	1.7
55.05286	1.5
55.05523	30.3
67.05513	9.6
67.05796	1.0
69.03435	20.9
69.07065	4.3
71.04989	1.7
73.02924	2.1
81.03426	13.5
81.07045	16.2
83.04991	15.7
85.02898	18.7
87.00838	9.2
91.05473	6.1
93.07043	7.8
95.04974	10.2
95.08590	5.4
97.02885	6.3
97.06504	2.3
99.04455	5.1
105.01852	5.5
105.07012	8.2
107.08579	1.9
109.02890	13.3
109.06526	12.9
109.10132	1.3
111.08050	1.3
119.08566	35.3
121.06483	2.0
121.10114	10.5
127.03902	17.6
129.01846	1.6
129.07030	1.4
133.10139	40.3
145.05028	2.2
145.10110	5.6
147.08044	40.1
147.11656	5.5
157.10147	1.7
159.02892	5.9
159.11700	5.1
161.09656	12.3
161.13248	81.3
165.09126	5.4
170.10927	5.2
173.69102	1.2
175.11153	2.3
175.14819	25.0
185.13275	6.9
188.11990	6.8
191.14285	2.3
203.14311	100.0
221.15361	56.6
257.45264	1.5
260.99844	1.5
469.21152	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	469.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.05291	1.2
55.05529	20.6
57.03460	1.2
60.18476	0.9
61.02916	1.0
67.05507	6.8
69.03442	16.5
69.07072	2.5
70.06607	1.4
71.04992	2.2
71.56599	0.9
72.08162	2.2
73.02924	1.6
79.05505	4.6
81.03430	10.7
81.07067	16.0
83.04997	11.2
85.02921	12.9
85.60712	1.0
87.00838	5.1
91.05477	8.4
92.17838	1.3
93.07055	10.6
95.04987	11.2
95.08624	8.4
95.49828	1.0
97.02894	4.9
97.06522	2.1
99.04466	1.5
105.07039	12.1
107.08610	8.6
109.02901	7.5
109.06542	14.3
109.10162	4.8
111.08114	2.0
117.07028	1.4
119.04872	1.1
119.08591	39.2
121.10146	16.9
122.09695	2.5
123.08176	1.2
127.03935	9.5
127.11219	1.9
129.01830	1.7
131.08578	2.2
131.47636	0.9
133.10141	40.5
134.59947	1.2
135.08092	1.6
135.11713	1.9
137.09639	5.3
139.11258	1.1
143.08595	4.5
145.04996	2.3
145.10156	7.8
147.08060	80.3
147.11761	7.2
149.09595	1.6
151.11206	2.2
155.85341	1.1
157.10133	6.5
159.02884	1.7
159.11736	9.1
161.09651	15.8
161.13268	64.0
164.07219	1.2
165.09090	6.4
170.10947	5.1
173.13235	1.3
175.11198	4.7
175.14841	22.8
185.13300	7.6
188.12024	5.2
191.14302	5.5
198.05690	1.0
203.14337	66.7
221.15379	100.0
285.08737	2.3
286.09134	2.5
311.20392	1.2
314.08456	2.0
332.09717	1.3
348.86768	1.1
441.22415	1.2
469.20450	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	469.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91483	0.8
53.03949	5.1
55.01892	1.4
55.05518	30.0
55.38562	0.8
57.03437	1.6
61.85908	0.9
62.20331	0.8
67.05502	7.8
68.99776	1.0
69.03429	29.3
69.07053	5.3
71.04996	2.4
72.08158	18.4
73.02916	5.1
79.05484	1.8
81.03425	15.5
81.07056	13.2
82.66303	0.9
83.04984	11.8
83.08616	1.1
85.02898	23.0
87.00816	11.9
91.05466	5.5
93.07044	9.8
95.04951	11.0
95.08601	5.6
97.02890	10.0
99.04464	7.2
105.01878	6.1
105.07037	7.1
105.79874	0.9
107.08572	4.0
109.02880	19.3
109.06507	11.6
111.08081	1.9
114.10265	1.4
117.01903	1.0
119.08582	36.8
121.10144	12.5
123.08048	1.7
127.03905	21.4
129.01888	1.7
131.08566	1.1
133.10118	41.9
135.08072	1.4
137.09602	1.8
145.04929	5.6
145.10120	6.6
147.08035	44.0
147.11703	4.8
151.11195	1.4
156.09380	1.3
157.10074	1.4
159.02861	11.1
159.11667	5.1
160.12436	1.1
161.06029	0.9
161.09593	14.9
161.13243	77.8
163.11185	1.7
165.09129	8.9
170.09601	1.2
170.10886	3.7
175.14793	23.6
178.04993	5.5
185.13226	10.7
188.11969	4.5
203.14301	100.0
204.41301	1.0
221.15332	47.0
232.09775	1.3
246.59329	1.2
259.61835	0.9
301.57162	1.0
338.10419	3.7
392.14838	4.5
398.12558	1.9
452.16919	3.7
469.19757	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	469.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05134	0.9
50.85482	1.0
53.03952	2.0
55.01884	4.5
55.05526	22.5
57.03450	1.1
57.87268	1.0
58.99299	1.0
64.27215	1.0
67.05500	6.1
69.03439	21.1
69.07072	5.7
70.06583	1.2
71.04998	1.8
71.59444	1.3
73.02899	2.0
79.05505	2.5
81.03429	11.6
81.07061	17.5
83.04980	9.6
85.02905	27.4
87.00837	8.1
91.05481	5.5
93.07026	8.9
95.04956	9.9
95.08613	7.0
97.02901	9.7
97.06535	1.5
99.04449	6.2
105.01863	5.7
105.07034	11.2
107.08592	7.7
109.02901	16.4
109.06535	9.6
109.10170	4.6
111.08100	2.2
114.09167	4.9
115.03922	1.5
117.06998	1.9
118.09434	1.1
119.05000	1.3
119.08581	43.6
121.06517	1.6
121.10149	18.9
127.03911	24.9
129.01855	2.1
131.08586	4.6
133.06503	1.8
133.09148	1.9
133.10138	43.9
135.08061	2.2
135.11694	2.3
137.09595	2.7
143.08566	5.1
145.04980	5.2
145.10117	24.8
147.03006	1.5
147.08044	50.8
147.11717	8.9
149.09715	1.2
157.10135	6.4
159.02917	8.5
159.11638	9.2
161.09613	13.0
161.13249	65.7
161.14545	2.6
163.11197	1.6
165.09122	6.5
170.10898	6.2
173.13234	5.7
175.14830	24.7
185.13260	18.7
187.14864	8.6
188.11981	4.2
191.14264	2.5
203.14316	100.0
205.15971	5.5
221.15358	58.2
225.53537	1.3
231.05002	1.4
437.82639	1.5
451.33041	1.4
464.41132	1.3
469.20529	8.9
469.25516	5.0
469.33826	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	469.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
55.01880	1.6
61.02917	1.1
67.05521	1.0
72.08163	0.8
77.03953	1.1
80.74925	0.6
81.03422	0.8
91.05479	1.7
92.18467	1.3
95.04971	40.5
105.03381	0.9
105.04498	3.0
107.04958	1.3
108.02139	0.8
119.04925	0.8
123.04427	100.0
132.82500	0.7
133.02847	1.1
133.06483	1.4
135.04466	0.7
137.05975	6.5
138.68416	0.7
139.03920	0.7
140.03667	1.1
140.04695	20.7
147.04427	2.6
151.03944	2.7
151.07544	1.2
153.05472	3.9
154.06320	0.8
155.07024	56.1
155.35115	0.7
163.03905	0.8
165.05434	7.8
166.06195	1.2
167.07039	21.3
171.06668	0.8
176.04652	0.8
177.05478	4.9
179.07050	3.1
180.07838	5.8
181.04953	27.0
182.05670	0.8
183.06526	91.2
193.05031	3.9
195.06520	6.1
207.06512	3.7
208.07300	13.9
209.08054	9.1
225.07562	23.0
226.08363	4.7
227.09142	5.4
243.08617	3.7
269.10272	1.5
312.95227	0.8
327.08469	0.7
359.11206	3.1
373.12946	0.9
377.12485	1.4
401.12357	0.9
448.30527	0.9
451.09912	1.1
451.15649	1.0
469.11063	1.5
469.16977	4.3
469.23645	2.4
469.34119	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1684
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
55.05524	0.4
63.37278	0.4
70.06593	0.9
72.08161	0.7
74.14116	0.5
81.07096	0.7
95.08630	0.5
109.71351	0.4
117.20264	0.4
121.10155	0.7
135.66817	0.4
137.05959	0.4
137.07907	0.5
147.11688	0.5
163.03893	2.7
186.79140	0.5
221.11469	11.3
269.19113	0.5
271.04199	2.1
289.05377	0.8
383.16724	0.9
415.36819	0.6
425.17865	6.7
469.16815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96302	0.5
53.03955	0.7
55.01888	0.8
58.46213	0.5
61.02929	2.1
65.03947	0.8
67.05501	4.2
69.03438	0.6
70.06607	1.0
71.01346	0.9
72.08144	2.3
85.02906	3.0
91.05481	1.4
95.04973	42.2
99.48723	0.6
100.74257	0.6
105.03416	0.6
105.04504	1.3
107.04975	1.3
107.58363	0.6
108.02117	0.7
109.06487	1.3
109.10162	3.6
116.02248	0.6
116.37698	0.6
119.04956	1.0
121.06519	1.4
123.04432	100.0
123.45831	0.6
125.05996	0.7
127.07638	0.6
133.02835	2.0
133.06476	1.3
135.04433	1.0
137.05986	5.5
140.03653	1.2
140.04688	20.0
147.04402	2.4
148.05208	0.9
149.06003	3.7
151.03900	1.3
151.07545	1.1
153.05447	3.3
155.07031	59.4
156.60980	0.6
163.03876	1.0
165.05452	7.6
166.06256	1.0
167.07039	23.3
168.07431	1.0
177.05443	7.9
179.07050	3.3
180.07787	6.8
181.04959	28.0
182.05713	0.6
183.06531	87.9
193.04958	3.7
195.06532	6.8
196.52554	0.6
197.08067	1.1
207.06584	3.3
208.07315	13.5
209.08159	7.7
211.05884	0.6
219.06403	0.7
225.07570	25.2
226.08386	3.6
227.09120	4.6
243.08659	2.5
269.10080	1.3
307.05969	0.6
359.11362	3.2
373.12997	1.0
377.12482	1.4
401.12256	1.1
451.15942	1.2
469.16885	1.3
469.23163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29950	0.7
53.72760	0.6
55.82895	0.7
57.07078	0.7
58.06593	1.4
60.08168	4.8
62.70070	0.9
70.65668	0.9
86.09718	18.3
95.08622	1.8
104.10767	1.5
121.10160	1.4
125.00010	9.6
147.11676	1.5
147.34027	0.8
184.07349	100.0
236.14987	9.1
245.08780	0.8
251.17964	4.1
269.18991	6.0
409.31015	0.9
427.32202	3.2
468.30920	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	468.3084
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
52.18150	0.5
57.07072	2.7
58.06598	0.8
60.08174	10.6
71.07355	1.3
71.08624	1.1
86.09710	31.6
104.10752	84.6
118.60884	0.6
125.00002	12.6
184.07343	100.0
190.51762	0.7
285.24280	3.4
450.29565	6.5
468.30859	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90771	1.4
56.44899	1.7
57.06828	2.5
57.07083	45.3
69.07071	3.6
71.08634	36.1
73.06563	2.7
85.10199	24.4
89.06030	81.7
91.15562	1.6
99.11755	2.3
113.13293	2.2
124.84983	2.2
129.51685	1.6
133.08620	24.6
133.29478	1.6
177.11241	7.4
198.81351	1.8
255.21332	2.1
257.24719	4.1
283.17517	18.8
301.27582	3.4
332.06638	2.2
403.35577	1.8
451.36249	100.0
468.39163	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	468.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49657	0.4
58.06602	0.5
61.47221	0.3
61.48031	0.3
70.06578	0.7
72.08152	0.5
85.02855	0.3
90.05564	6.7
91.67025	0.3
92.52298	0.4
92.67637	0.3
98.02421	0.8
105.01880	0.3
116.03446	0.8
124.08698	0.7
137.05943	0.3
140.96373	0.3
142.08653	0.6
160.07582	36.9
161.08304	0.6
170.09615	1.4
174.09113	1.5
183.17194	0.4
184.09686	1.7
186.09152	100.0
187.09932	31.7
202.10841	5.3
203.11839	0.5
217.13361	7.6
218.14162	19.1
220.11801	12.7
243.53819	0.4
299.17517	0.6
317.18704	2.2
353.97699	0.4
468.26138	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39237	0.6
55.64855	0.7
58.08015	0.7
60.42808	0.6
69.72729	0.8
70.06589	3.1
72.04515	1.2
72.08164	6.8
79.05513	6.2
79.05913	0.7
81.07053	1.3
81.11081	0.7
84.04509	3.1
84.08186	1.0
85.02877	0.8
86.09718	3.2
91.05482	1.0
93.07039	13.0
95.08610	1.5
97.07632	0.8
98.06025	0.9
102.05589	1.1
107.08584	5.7
113.09993	1.0
113.10777	19.9
114.09173	46.3
114.10323	1.3
115.08700	6.0
121.10145	20.8
122.02734	0.8
130.05032	3.6
131.08521	0.7
131.11824	15.3
143.37291	0.8
149.09637	4.6
156.11342	19.3
158.62122	0.7
163.07626	0.8
173.13974	24.1
173.15376	1.2
184.07370	1.1
211.11060	0.8
339.24045	3.1
352.80957	0.9
426.25610	0.9
468.28250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68631	0.2
53.62576	0.2
55.01869	1.0
56.17722	0.2
58.06612	3.7
61.61296	0.2
66.00794	0.2
70.06593	2.6
72.08158	13.6
84.04502	1.3
84.08147	10.5
86.53210	0.2
90.05571	0.3
98.06056	0.5
99.74817	0.2
105.91406	0.3
110.09683	0.9
111.09198	1.3
112.11243	35.9
113.07137	1.4
115.08669	0.3
126.09157	5.0
129.13881	11.1
137.05966	0.3
143.11783	0.4
146.16624	0.3
147.04425	1.5
155.11787	6.6
160.07617	0.3
172.14430	1.3
182.16473	1.2
183.14925	4.1
186.09132	1.5
187.09866	0.4
200.17583	7.9
202.10643	0.4
210.14543	0.3
229.62515	0.2
241.04837	0.3
243.01656	0.3
251.06934	0.3
255.06546	2.3
259.06055	0.5
269.04440	31.8
279.06601	1.0
280.06168	0.4
281.04520	0.2
282.07574	0.4
295.05850	2.4
297.07620	2.6
322.07169	4.2
323.05524	5.4
325.12180	0.3
326.10211	10.4
354.13202	0.4
363.56552	0.3
379.12854	4.0
380.11337	4.2
393.14404	1.6
394.12921	3.0
397.13959	4.4
424.22867	0.3
450.20309	2.4
451.18546	3.2
468.21280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08059	0.4
55.01859	0.9
55.76632	0.4
58.06612	4.8
65.93439	0.4
70.06573	3.2
72.04498	1.0
72.08160	17.1
84.04500	0.6
84.05611	0.6
84.08143	10.7
90.05077	0.8
90.05564	13.4
98.09711	0.6
99.97035	0.5
108.53482	0.5
110.09709	0.5
111.09200	1.2
112.11244	37.9
113.07139	0.6
113.26061	0.5
116.03461	2.9
124.07551	0.7
125.69099	0.5
126.09158	5.1
129.13881	11.5
137.05968	2.6
142.08575	0.6
155.11806	7.8
160.07541	5.0
161.07957	1.0
163.03888	0.8
172.14404	1.1
183.14961	4.2
184.09660	3.8
186.09128	14.3
187.09749	8.1
188.10207	3.8
189.10275	0.5
200.17567	7.3
202.10745	6.7
218.14084	6.2
219.14462	5.5
220.11795	24.8
220.14796	3.8
221.15063	1.0
241.05032	0.7
255.06488	3.2
269.04456	32.9
279.06577	0.7
280.06116	0.9
294.07565	0.5
295.06082	3.3
297.07529	2.6
299.09085	1.0
304.21030	0.9
306.21722	0.7
322.07141	3.4
323.05487	6.1
326.10233	11.0
354.13217	0.7
379.12946	3.8
380.11230	4.7
393.14484	1.1
394.12808	3.3
397.13965	3.9
450.19974	0.6
451.18683	2.4
468.21179	100.0
468.26813	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	468.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10626	0.4
55.01881	1.8
55.05510	0.6
56.05058	0.4
58.06617	4.4
69.03458	0.5
70.06600	6.3
72.08162	20.6
81.03426	0.8
81.07059	0.5
81.42430	0.4
84.04514	2.2
84.08149	12.6
85.02898	1.0
88.74557	0.6
97.02883	0.7
98.06043	0.6
98.09710	0.6
100.07614	1.6
102.24488	0.4
107.04918	0.5
107.08618	0.5
109.02915	0.4
109.10111	0.6
110.09673	0.4
110.63145	0.4
111.09215	6.2
112.07619	14.6
112.11250	31.0
112.12029	1.0
113.07143	1.7
114.10303	2.0
123.04420	1.0
126.09127	0.8
129.10255	1.8
129.13882	11.1
130.06522	0.8
131.06898	0.6
147.04433	0.7
155.11797	5.4
163.03891	3.9
167.07036	0.5
172.14413	0.7
182.16554	0.9
183.14937	2.1
185.01979	0.4
196.35017	0.4
200.17636	3.5
211.20367	0.5
216.04482	0.5
220.09940	0.5
222.11264	0.4
249.06189	0.4
251.06940	0.4
255.06590	2.7
259.06152	0.6
264.32397	0.4
269.04456	37.7
270.07996	0.5
279.06586	2.2
280.06058	0.6
281.04578	1.0
294.07562	0.5
295.05951	3.0
297.07584	2.2
322.07175	2.5
323.05542	4.7
326.10300	2.5
354.13196	0.6
379.12851	9.7
380.11240	3.3
397.13895	5.8
450.20679	2.0
451.18948	1.0
468.21335	100.0
468.71268	0.7
469.19485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39873	0.4
55.89832	0.5
57.07083	0.6
62.14092	0.5
67.34229	0.5
69.07061	1.2
70.06575	0.6
72.04522	4.3
72.08150	0.5
72.71526	0.5
73.02920	0.9
81.03400	0.7
85.02898	2.9
85.06558	1.0
87.08116	0.6
90.05560	55.4
95.04954	1.0
97.02896	1.1
98.02416	3.0
103.07590	4.1
107.04940	0.5
113.05984	0.7
116.03465	9.5
124.07566	4.2
127.03918	1.3
137.05980	1.3
142.08640	3.5
147.04451	1.1
166.08612	2.4
174.11278	2.4
184.09703	16.3
185.73637	0.7
202.10745	22.8
220.11803	100.0
351.93381	0.6
468.17029	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	467.2908
Annotation	Cephaeline
Peak:m/z	Relative Intensity
51.50198	0.3
58.06608	0.4
135.08072	0.5
144.08096	25.7
145.08842	0.6
154.00645	0.3
158.09650	1.4
170.09648	100.0
171.10428	28.2
187.12335	0.7
201.13867	3.8
202.14656	17.3
367.69464	0.4
409.71915	0.4
467.29065	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3
Annotation	(-)-5alpha-(12-Cytisinylmethyl)-6alpha-hydroxylupanine
Peak:m/z	Relative Intensity
51.57108	0.6
55.15365	0.7
81.07066	2.0
93.07075	1.0
95.08614	1.8
109.10146	1.1
117.03371	4.1
120.14711	0.8
123.11668	1.1
145.02850	41.1
149.06007	1.2
164.41751	0.8
177.05475	100.0
273.24261	5.7
287.78561	0.9
297.43958	1.0
449.29077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
58.06603	1.0
59.59097	0.6
69.03432	3.1
79.05468	1.1
81.07062	4.7
87.02686	1.3
95.06107	1.3
96.04474	3.3
98.06054	1.0
100.46404	0.7
102.87537	0.7
105.03738	12.7
105.07036	6.4
109.02882	4.9
109.06508	10.2
114.09178	1.6
119.08583	3.0
122.06362	9.3
124.07594	36.9
133.06505	14.1
141.06598	1.3
141.10222	0.9
144.08093	28.6
145.10175	0.7
147.08054	3.9
147.11702	6.2
156.09328	1.2
157.10223	0.9
158.09663	1.4
161.05977	41.3
161.09616	1.2
161.13170	6.1
169.09729	7.8
170.09639	100.0
171.10425	24.8
171.11723	3.5
174.10364	1.5
175.11176	17.6
186.09128	1.0
187.10777	1.0
188.07410	23.7
189.12769	17.8
199.11256	1.4
201.13911	5.2
202.09843	3.2
202.14642	16.8
217.12212	22.5
233.09540	11.1
251.10669	8.1
278.36447	0.7
329.11749	1.3
348.77490	0.8
349.05612	0.8
403.22223	4.8
438.73557	0.7
449.21097	5.6
467.25351	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	467.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15656	0.3
53.00381	0.4
55.05526	0.7
57.14563	0.4
69.03432	1.7
70.39269	0.4
72.08152	1.0
75.79011	0.4
77.94466	0.4
81.03419	0.7
81.07075	0.4
85.02896	1.7
87.00810	0.5
91.05482	0.6
95.04968	0.9
97.02898	0.6
105.07056	0.5
109.02884	0.6
110.41748	0.4
112.07636	0.4
117.07050	0.5
118.06564	0.6
120.08102	14.2
121.08884	6.6
127.03954	0.7
130.06544	0.6
132.08093	2.3
134.09669	0.6
137.05975	2.2
144.08099	16.8
145.08946	0.6
146.09630	3.1
148.07568	6.1
148.11188	0.5
149.11972	4.2
158.09631	5.3
159.02879	0.5
159.06786	0.6
159.07994	0.5
160.07584	7.5
160.11234	1.6
162.09148	3.4
163.03871	0.7
167.07040	0.7
170.09679	2.3
171.08063	0.7
171.10252	0.4
174.09149	5.7
175.07469	0.6
175.54666	0.5
176.10704	4.1
177.11536	4.4
182.09683	0.7
184.11212	1.9
186.12845	1.7
188.07071	0.4
190.08624	0.6
192.10202	2.9
193.11058	0.6
196.11220	9.3
197.12096	0.6
198.09094	0.5
198.12794	7.8
200.10721	4.6
201.49207	0.5
202.08662	4.3
203.10713	2.4
205.07330	0.5
210.09142	0.5
210.12840	1.9
211.07616	0.6
212.10789	0.8
212.14374	2.4
214.12262	6.8
215.13077	4.7
216.13855	0.9
219.08696	4.5
221.10411	0.8
222.11298	0.6
223.09868	0.5
224.10739	0.8
226.12314	2.1
228.10294	0.6
228.13831	3.0
230.15422	1.7
238.12320	2.4
241.11005	0.6
242.11732	5.8
244.13348	1.6
256.13345	6.3
258.14877	4.3
274.14343	7.0
284.12753	0.9
302.13864	29.1
309.07697	0.6
320.14920	1.9
389.30997	0.4
449.20605	5.0
450.20581	0.4
467.21796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00467	0.4
51.13736	0.4
55.05519	1.1
69.03432	1.0
70.06584	2.5
71.08624	0.9
72.08168	12.6
83.04989	10.9
84.08147	2.5
85.02905	1.0
88.11280	11.4
89.11597	3.0
93.03410	1.1
97.07658	5.2
98.06073	2.5
99.09206	0.6
104.84637	0.5
111.04458	8.5
114.09192	0.7
114.09466	0.7
114.10281	8.5
115.08689	4.1
121.02872	8.9
126.10287	18.0
127.03961	0.6
131.12929	0.8
134.96001	0.6
135.04419	6.6
137.05933	1.0
139.03920	5.5
140.08191	2.6
141.11351	0.6
149.06000	0.8
152.07092	6.0
153.05507	0.8
157.05009	0.6
158.00664	0.5
163.03883	6.1
164.07057	3.4
167.07062	2.2
168.07368	2.0
177.05472	4.8
178.05820	5.9
192.06546	7.3
206.11819	3.7
209.08023	2.0
210.08487	2.1
228.09531	0.6
233.12823	9.7
234.11267	14.2
239.52728	0.5
248.13962	16.4
252.12225	3.8
263.10217	0.6
269.10294	1.8
270.10535	2.5
271.39511	0.5
274.10822	1.0
276.13428	16.9
276.16199	0.8
277.11938	0.8
293.16040	4.3
294.14478	2.3
326.93887	0.5
332.16641	0.9
430.19345	0.6
432.17789	1.1
449.20102	0.6
450.17664	6.9
458.69849	0.5
467.21414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27413	0.5
67.05497	0.5
69.07038	0.7
70.06591	6.4
72.08151	2.1
76.04009	0.5
84.04491	0.9
84.08154	7.7
85.02905	0.7
86.09699	6.0
88.11257	2.7
95.04992	0.5
98.06026	0.8
107.04956	1.0
110.06035	3.3
110.07151	0.6
113.07149	0.6
114.10253	0.5
115.05058	0.9
115.08660	3.6
118.06537	9.1
119.04928	0.6
120.08093	0.8
123.04418	0.7
124.07598	2.4
136.07553	0.6
137.05925	0.7
138.05545	3.2
143.08150	3.4
145.01645	2.8
145.33221	0.5
146.06020	14.9
147.04395	0.9
151.06265	5.7
152.10703	0.5
153.10161	1.1
155.11758	2.9
162.05487	3.2
164.07060	43.9
165.07841	0.9
166.08627	10.0
170.08112	2.8
181.09706	15.0
183.11320	0.6
187.10768	4.1
191.02194	3.4
192.06552	100.0
235.10748	4.1
258.14380	4.0
263.10281	21.9
263.12387	0.5
263.13138	0.6
281.11191	0.6
284.12399	3.0
295.39777	0.5
305.09106	4.0
307.30008	0.4
309.25034	0.4
329.18219	2.8
330.52615	0.5
374.16708	0.6
392.18213	0.7
449.20508	7.3
467.15842	1.9
467.21616	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	467.2141
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
55.05513	1.2
64.00378	0.4
69.03428	0.8
69.33458	0.5
70.06593	1.1
72.08161	10.1
78.06208	0.5
83.04994	12.2
90.82654	0.5
92.18410	0.5
93.03414	0.9
97.07668	3.9
98.06062	2.0
111.04459	7.3
114.10292	7.7
115.08709	3.1
121.02866	8.5
126.10274	18.0
134.29233	0.5
135.04437	7.2
137.05977	0.6
139.03912	5.9
140.08189	2.1
152.07048	6.1
153.05487	0.9
157.10832	0.6
163.03929	5.5
177.06493	0.5
192.06586	0.8
206.11790	3.8
228.68010	0.5
229.78618	0.5
233.12840	7.9
234.11246	14.6
248.13947	15.1
251.13957	0.6
252.12119	3.4
276.13470	15.0
293.16104	4.1
432.17624	0.6
467.21387	100.0
483.31619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20934	0.4
53.03940	0.9
55.01867	2.7
57.03424	0.8
58.06586	1.1
65.73706	0.5
67.44488	0.4
69.03114	0.4
69.03442	9.1
70.02937	0.6
70.06567	1.8
71.04979	0.6
72.08126	2.0
73.02916	3.6
73.05570	0.5
79.25423	0.4
81.03423	10.0
84.08138	0.9
85.02909	25.3
85.03422	0.8
87.00832	6.1
91.03929	0.4
97.02892	8.3
99.04465	6.7
100.11218	0.5
105.01874	9.0
109.02883	16.8
118.06496	0.8
119.08555	0.5
127.03922	29.2
129.01831	2.6
130.06519	0.5
144.08086	43.9
145.04973	6.8
146.09659	4.7
147.02895	1.7
155.11803	0.6
158.09647	7.3
159.02902	14.6
160.07513	0.7
162.09142	85.2
170.09616	0.8
171.08009	1.8
174.09142	2.5
186.09120	2.6
194.69348	0.5
199.07523	2.2
201.13948	0.9
204.10268	3.6
210.09044	0.5
213.03970	0.6
217.08530	0.5
228.10158	0.7
231.05002	2.9
231.10080	2.1
242.90456	0.5
243.20346	0.4
249.11078	0.6
305.18951	0.7
318.13330	0.8
330.13364	0.9
335.15851	0.7
366.15436	2.0
410.14413	12.7
423.21066	2.1
450.17593	2.1
467.20169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1551
Annotation	TERNSTROSIDE A
Peak:m/z	Relative Intensity
50.12461	0.7
58.06604	1.0
65.03947	1.1
67.05503	1.6
68.99787	6.5
70.06577	3.5
72.08150	4.8
73.38010	0.8
79.05490	1.6
85.02895	1.8
91.05485	10.2
95.04979	3.8
107.04956	1.7
107.08605	1.3
109.06548	1.1
117.03390	1.0
119.04951	6.8
119.05707	0.9
120.08083	0.9
121.02870	3.6
121.06475	1.6
123.04460	1.5
125.05965	1.8
127.03959	0.9
133.06490	1.5
135.04399	5.0
135.08034	1.7
137.05981	5.8
139.07584	3.4
144.08141	6.1
145.02835	3.4
145.08411	8.4
147.04428	3.3
147.07887	0.9
149.06035	1.5
151.03885	1.5
151.07527	1.2
153.05452	5.4
161.13251	1.4
163.03891	23.2
165.05457	5.6
166.06297	0.9
167.07028	8.5
170.09662	20.5
171.10001	27.4
172.10452	12.4
173.10970	2.0
177.05446	8.2
179.07053	1.4
180.04185	7.0
180.07793	5.7
181.04945	23.3
186.09062	1.3
191.03358	1.7
193.04971	3.7
195.04915	1.3
195.06572	14.9
201.13817	1.2
202.14461	4.4
203.10678	1.0
203.14996	3.5
204.15120	1.0
207.06596	1.7
208.03690	1.6
208.07228	8.9
219.01712	1.3
223.06003	100.0
225.07538	13.0
226.08452	2.1
241.07048	36.5
302.67795	0.8
331.70285	1.0
360.47968	0.9
394.83682	0.9
399.99527	0.8
435.13049	1.3
466.70377	0.9
467.15546	2.4
467.26434	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	466.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42487	6.3
80.92397	7.1
86.17450	7.3
88.76329	7.1
105.47343	7.0
111.58428	6.9
147.09062	8.1
147.75742	8.1
163.13530	7.0
180.71629	8.3
254.15886	13.1
297.21652	7.6
310.22037	17.0
357.29520	7.3
384.89764	8.1
448.32541	27.0
466.33560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44702	0.5
56.11112	0.4
58.13153	0.5
59.21828	0.5
69.03444	5.3
70.11631	0.5
86.92165	0.5
87.04488	0.8
92.98168	0.5
112.87360	0.6
117.38831	0.5
127.61891	0.5
152.95949	0.6
154.49512	0.7
160.07590	32.6
174.09076	0.6
186.09155	100.0
187.09938	50.1
214.20868	0.6
217.13417	3.1
218.14160	83.4
228.13850	5.6
229.14713	1.2
242.80067	0.6
285.35269	0.7
286.20419	30.7
334.17279	1.0
466.21881	17.5
466.27737	0.9
476.16522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49968	1.3
57.03442	3.9
67.05492	2.0
69.03431	1.6
73.02939	11.3
79.05513	3.8
81.07068	100.0
85.02905	13.7
92.17795	2.2
94.99147	1.6
95.08611	18.7
97.02877	13.0
113.17501	1.9
115.03924	10.8
127.03954	7.1
137.13266	30.3
141.66296	1.5
144.08098	2.5
145.04919	2.1
170.09671	6.9
171.10100	2.3
191.71483	2.1
259.08154	1.9
287.96927	2.0
295.10172	13.6
452.14270	1.6
456.33395	1.8
466.24402	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	466.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43983	0.5
69.03433	1.2
69.07937	0.5
70.06573	2.9
72.08162	6.3
81.03411	2.3
84.08141	0.8
85.02906	7.7
87.00814	3.7
93.07051	0.8
97.02877	3.7
99.04457	1.3
105.01881	4.7
105.27258	0.5
107.08581	0.5
109.02858	4.2
109.06471	1.3
109.10136	0.9
114.10297	2.9
114.64385	0.5
118.68540	0.6
119.08569	2.3
119.36464	0.5
127.03902	7.9
131.12984	0.5
137.09586	0.5
145.04950	2.3
147.04414	3.2
151.03915	1.1
157.10852	0.6
159.02815	1.1
163.03883	5.2
165.09113	2.1
170.40819	0.7
176.03435	0.9
177.94463	0.5
178.90271	0.6
188.07080	1.0
189.04192	1.0
189.07767	1.0
216.06651	1.0
217.07336	100.0
218.08102	8.9
229.10721	0.6
231.04935	2.2
232.06020	0.7
233.06845	3.4
250.09506	0.6
252.73610	0.5
273.12988	0.7
302.57886	0.6
304.16745	0.7
338.06512	0.8
350.06430	1.0
377.11218	2.1
378.09726	30.2
395.12619	3.7
443.71182	0.5
449.16608	0.9
453.01855	0.6
465.32806	0.6
466.19678	88.2
480.54980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01874	9.7
56.94621	1.2
57.03437	2.1
57.45977	1.3
61.02927	3.5
67.05505	3.3
69.03436	36.0
70.06593	2.8
71.04993	6.2
72.08147	8.2
73.02916	9.1
74.94870	1.3
79.05496	2.0
81.03426	25.3
81.07070	7.0
83.73975	1.4
85.02911	100.0
87.00834	46.8
91.03953	2.3
92.18416	1.9
93.07022	11.1
95.04975	1.8
95.08635	1.6
97.02900	63.9
99.04457	23.5
105.01868	71.0
105.07009	1.9
107.08595	6.1
109.02884	44.0
109.06522	21.5
109.10172	20.7
110.26120	1.8
114.10280	9.5
115.03928	2.2
117.01827	2.5
117.07028	1.6
119.08569	16.4
121.10179	3.0
123.08090	2.9
127.03915	94.9
129.01828	6.7
135.08055	2.8
137.09613	11.8
145.04956	38.2
147.02863	3.4
147.08058	9.9
153.09102	2.9
155.03401	2.0
155.10690	1.9
159.02901	25.9
163.03880	7.4
164.39951	1.5
165.09085	23.4
173.04526	2.7
183.10214	6.6
190.04979	2.6
192.06593	1.8
213.03885	2.2
217.07388	1.6
231.05013	24.1
249.05988	15.4
259.04462	5.9
277.05621	1.8
303.13498	2.8
309.13376	2.6
331.42957	1.5
351.14551	1.8
376.15451	2.5
377.12421	2.3
390.17972	1.5
391.48749	1.8
395.13315	26.9
413.14468	19.9
431.15515	1.8
466.18713	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	466.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64442	0.6
57.03452	1.3
61.02935	0.7
62.09640	0.6
64.51074	0.7
69.03429	4.8
81.03410	1.0
81.07056	1.2
85.02913	17.9
91.05489	5.4
95.04980	0.7
95.06080	4.7
97.02897	4.4
99.04439	1.1
107.04963	100.0
109.02879	1.5
113.07156	2.9
119.04948	18.3
122.02812	1.0
127.03902	3.8
131.04932	8.1
137.98799	0.7
144.08116	0.9
145.02924	1.1
145.04961	1.6
149.05913	0.9
151.03893	7.5
163.03905	11.9
170.09692	3.9
171.10176	1.6
175.03874	3.8
193.05023	1.1
195.08046	1.2
213.09120	1.3
223.07570	1.2
239.07033	34.3
251.07024	18.8
257.08078	29.4
269.08075	23.1
287.09146	46.0
287.12329	1.6
422.26630	1.3
423.07962	0.8
431.13342	3.6
449.14603	1.6
466.25497	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	466.165
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	1.5
60.78913	0.9
62.35383	0.9
64.04662	0.9
67.04237	0.8
72.08134	1.2
74.88359	0.8
93.13052	1.0
94.98005	0.9
105.07029	4.1
107.04948	4.6
107.30383	0.9
122.09646	1.8
125.01688	4.8
127.03266	69.6
131.04918	3.8
133.38527	1.0
134.69807	1.0
134.77417	1.0
143.02751	98.7
146.03616	5.3
149.05930	1.9
153.01204	2.1
162.03146	1.6
163.03958	7.9
167.07033	1.5
171.02177	3.6
177.05469	48.7
178.06250	21.1
195.06555	14.3
201.41089	1.0
262.04074	1.2
267.59616	1.0
275.05005	1.3
287.04828	7.2
288.05731	1.8
301.06378	1.4
303.07965	9.0
304.11642	7.3
319.07532	24.4
321.05261	1.3
329.05707	1.1
347.06967	5.2
363.10019	4.4
379.09573	39.6
379.14169	2.0
407.09070	100.0
423.20395	1.0
466.16580	52.5
466.22064	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	465.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18169	1.1
67.05491	1.4
68.82254	1.2
69.03432	6.9
81.07033	2.3
83.04978	2.1
84.04532	2.2
88.11283	13.1
93.07042	2.1
95.04931	3.4
95.08630	5.7
99.00126	1.2
105.07018	2.3
107.08582	6.4
109.06533	2.8
111.04517	1.4
119.08569	8.8
119.30588	1.5
121.06535	12.8
121.07275	1.9
121.10162	1.6
131.08566	3.2
133.06464	1.3
133.10144	2.2
135.08046	8.0
143.08591	2.2
145.10123	5.8
147.08022	12.9
149.09579	12.6
157.10138	3.3
159.08049	100.0
159.11719	3.4
160.07581	14.4
161.08069	1.4
161.09633	9.0
170.09659	8.1
170.10939	1.5
171.08067	1.6
171.10347	2.3
171.11684	6.5
171.14952	3.2
173.09601	19.6
173.13124	2.2
177.09132	9.1
177.12733	2.6
185.13303	3.0
186.09120	32.2
187.09702	13.3
187.11304	1.6
188.10329	2.0
189.09106	2.5
189.12764	11.0
192.67784	1.6
198.10345	2.2
199.14444	6.5
200.11119	1.7
200.12704	10.2
201.12769	1.7
203.14258	3.1
207.13869	8.9
213.12740	13.2
217.15457	34.4
218.14090	7.4
219.14412	1.8
231.13823	12.0
249.14888	12.0
258.67279	1.7
417.27789	2.1
447.28439	5.8
465.24197	26.3
465.29852	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	465.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66161	2.1
55.05513	4.2
60.09668	1.9
67.05511	3.8
71.04998	4.9
79.05482	2.4
81.07062	12.6
83.04983	31.9
84.04487	8.7
88.11266	45.0
89.20554	2.1
93.07055	15.2
95.04987	3.6
95.08561	4.2
96.47855	2.0
105.07049	9.1
107.08629	16.5
109.06509	3.3
109.10149	4.3
111.04455	100.0
111.05246	3.4
111.08051	2.9
113.06017	4.9
119.08575	29.6
121.06499	5.4
121.10135	11.1
121.45342	2.2
123.08067	3.7
130.04991	4.9
131.08577	17.6
133.10162	3.0
135.08138	2.5
137.05937	2.1
143.08606	7.9
145.10110	28.7
147.08119	3.3
147.11653	5.3
151.72623	2.3
157.10156	4.6
159.11739	9.5
160.07562	10.0
161.09657	4.4
161.13222	2.3
171.11665	14.9
171.14911	22.7
173.09641	29.9
185.13197	3.0
186.09128	29.6
187.09554	21.3
188.10338	2.9
189.12759	16.5
191.10690	14.2
195.11699	2.7
199.14470	39.9
200.12827	38.7
203.14230	4.9
213.12743	4.0
217.15494	76.0
218.14244	3.1
219.14397	9.3
231.13850	10.2
249.14908	10.5
334.21582	2.2
358.19971	2.2
381.81888	2.2
447.28516	10.5
465.24738	15.8
465.29611	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76640	4.8
57.29261	5.2
58.60431	4.7
60.20157	5.2
67.05496	29.7
69.07066	7.6
69.65913	5.0
81.07038	6.4
88.11232	6.6
91.05474	6.5
93.07067	7.5
93.64629	6.8
95.04957	64.5
95.08607	10.5
105.07056	11.3
107.08606	60.4
109.10165	69.8
113.74630	7.3
113.75417	6.2
117.06947	6.4
119.08590	52.5
121.06419	6.0
121.10141	9.9
125.09615	13.5
131.08527	7.4
133.06526	9.5
133.10092	26.9
135.08076	55.7
136.08878	6.5
137.09618	98.9
144.08060	7.7
145.10120	9.4
147.08051	55.5
149.09662	10.1
153.09117	10.2
154.09897	8.2
157.10083	7.2
160.07587	28.3
161.07919	12.5
161.09581	10.0
161.13228	9.5
171.14940	6.3
175.07559	69.5
175.11096	10.8
175.14818	7.0
179.07082	12.0
185.13295	27.1
186.09180	80.1
187.09615	70.5
188.10240	24.1
189.12766	30.3
193.41901	6.5
199.14445	44.9
203.14362	30.3
213.12775	39.4
217.15474	8.0
218.14125	23.2
219.14546	12.2
225.07541	11.3
231.13834	23.3
249.14865	80.4
284.64423	6.4
407.80923	5.6
408.02676	7.2
429.27386	14.5
447.28595	22.4
465.24564	100.0
465.30716	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	465.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.5
59.20287	0.3
62.83230	0.3
108.12083	0.4
160.07584	22.4
161.08363	0.7
165.94429	0.4
168.11786	0.4
170.09656	0.6
173.98003	0.4
174.09117	0.5
186.09148	67.0
187.09938	47.4
217.13362	3.3
218.14148	88.1
272.16440	0.5
302.61722	0.4
303.20700	9.1
380.19406	1.4
465.25995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02563	0.5
57.84967	0.4
61.74014	0.5
61.85720	0.4
68.69553	0.5
82.98429	0.5
83.22123	0.5
124.15268	0.5
136.14941	0.5
138.00189	0.6
160.07564	26.5
161.08307	0.6
174.09096	0.5
186.09142	79.6
187.09921	50.6
217.13396	3.3
218.14139	90.3
232.79482	0.5
262.75363	0.6
303.20609	9.6
380.19385	1.1
465.25974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21417	0.3
54.70398	0.3
58.06587	0.7
58.88015	0.3
70.06584	0.4
72.08134	1.7
74.38580	0.3
136.53751	0.3
144.08086	27.2
145.08809	0.7
147.04494	0.4
158.09633	2.3
163.03870	1.4
163.36014	0.3
170.09639	100.0
171.10419	32.9
187.12312	0.5
201.13918	5.5
202.14642	27.5
218.14201	0.7
231.06259	0.4
285.19388	0.4
325.13538	0.3
399.79092	0.4
465.26013	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22884	0.3
58.06552	0.5
58.82407	0.3
59.76050	0.3
59.99616	0.3
66.59682	0.3
70.06577	0.5
85.02909	0.4
135.23982	0.4
144.08095	24.2
145.08723	0.6
158.09631	1.9
160.07549	1.9
170.09647	100.0
171.10426	31.5
186.09155	3.8
187.09657	4.4
187.12379	0.5
188.10330	0.7
200.13019	0.6
201.13896	4.6
202.14653	29.9
218.14124	2.4
219.14401	0.8
303.20740	4.1
331.90399	0.4
356.40164	0.4
408.00482	0.4
465.26166	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03533	0.2
58.06586	1.3
63.05398	0.2
65.21726	0.2
68.62785	0.3
69.37103	0.2
70.06578	0.2
71.22559	0.2
72.08121	0.4
75.39250	0.2
76.60473	0.2
85.02899	0.4
120.08090	0.9
144.08096	2.5
144.91873	0.3
160.07567	36.5
161.08311	1.5
161.10739	0.3
170.09621	1.5
174.09119	1.2
175.09920	0.4
186.09138	100.0
187.09917	40.1
187.11702	0.3
191.11823	0.3
202.11002	0.9
203.11800	0.5
217.13335	4.8
218.14134	35.9
219.14915	0.5
303.20682	1.8
465.25961	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94214	0.3
51.53178	0.2
54.01264	0.3
56.07484	0.3
57.15908	0.3
58.06591	0.6
60.70384	0.3
63.73416	0.3
67.01571	0.3
69.83121	0.3
70.06570	0.4
75.53382	0.3
84.08121	0.3
112.54684	0.4
144.08066	1.3
149.70738	0.4
160.07576	32.6
170.09621	0.7
174.09116	1.5
186.09146	97.2
187.09924	41.0
202.11050	1.3
203.11932	0.6
217.13333	5.2
218.14143	36.8
219.14853	0.6
280.65714	0.4
367.36282	0.4
379.65524	0.3
414.99475	0.4
423.72269	0.4
465.25995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52117	0.5
52.03849	0.5
52.95829	0.6
55.11617	0.6
58.06600	1.1
69.03460	0.6
91.05531	0.8
104.66840	0.7
107.08558	0.7
114.36462	0.7
145.10130	0.8
160.07582	35.9
163.03883	1.4
164.67326	0.7
170.09604	0.8
174.09178	0.8
186.09148	100.0
187.09920	34.2
187.11531	1.4
188.10291	0.8
217.13324	5.7
218.14139	18.7
275.01859	0.8
293.14200	0.8
296.09531	0.7
465.23901	76.9
465.29547	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	465.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79636	0.8
56.34204	1.0
56.56889	0.9
57.30943	0.8
58.98629	1.0
68.77878	0.9
129.30606	1.2
147.04462	1.8
160.07578	51.4
161.08415	1.9
170.09610	4.0
171.10461	1.0
174.09190	1.8
184.55856	1.2
186.07462	2.2
186.09145	64.1
187.09933	30.5
188.13130	1.7
189.10172	1.6
203.11838	1.1
204.12599	74.4
208.05864	1.0
218.14160	48.5
285.15945	1.5
286.14493	1.8
288.14804	1.6
289.19156	2.6
303.17081	100.0
303.20529	6.7
409.00839	1.1
465.21381	82.6
465.26694	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06759	0.6
52.67330	0.6
57.44490	0.6
57.96717	0.6
58.06617	1.1
60.54293	0.7
69.76956	0.6
72.08150	3.7
84.05657	1.0
85.32092	0.6
85.98878	0.7
87.04436	0.8
106.04664	0.6
110.42060	0.6
158.09259	9.0
180.97438	1.1
187.77791	0.6
198.98549	1.2
199.98665	3.2
229.16698	36.8
236.14925	100.0
237.15425	2.6
273.87070	0.6
281.25040	0.7
291.62296	0.7
464.05975	1.2
464.12106	7.4
464.30676	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2546
Annotation	(-)-14-deoxy-17-Norparaherquamide
Peak:m/z	Relative Intensity
53.78369	0.6
57.20673	0.5
57.73722	0.6
58.06595	4.0
66.09930	0.5
71.18726	0.6
75.27620	0.6
79.82402	0.6
87.15880	0.7
89.06025	2.8
93.07019	0.9
93.08247	0.7
103.05441	0.7
120.08096	9.8
121.06506	6.6
129.10280	0.6
146.06052	0.7
153.19254	0.6
160.07603	4.8
165.05377	0.7
165.09114	1.1
170.09579	1.4
172.07549	3.5
174.09171	0.7
181.04858	0.9
186.09129	10.7
187.09943	19.2
189.11505	21.0
200.10689	0.9
203.11798	26.2
207.27036	0.7
212.14430	0.8
217.13342	6.4
218.14146	100.0
228.13864	2.9
271.18060	8.8
299.17535	5.9
447.25787	3.1
464.25418	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	464.255
Annotation	(-)-14-deoxy-17-Norparaherquamide
Peak:m/z	Relative Intensity
54.04717	0.5
64.48808	0.6
66.62997	0.6
72.46702	0.6
76.16032	0.7
96.46619	0.6
104.44549	0.6
144.06975	1.0
144.08095	23.8
145.08829	0.7
158.09666	1.3
170.09645	100.0
171.10426	21.3
201.13823	4.6
202.14616	15.4
267.02057	0.7
464.25470	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30698	0.3
58.06593	0.4
58.63961	0.4
59.41009	0.4
61.38868	0.4
69.86036	0.4
70.72675	0.4
101.09839	0.5
102.97121	0.4
104.70715	0.4
106.99661	0.4
122.43893	0.5
160.07578	36.9
165.68810	0.4
186.09146	100.0
187.09929	29.5
194.63345	0.4
194.91774	0.5
201.30356	0.4
202.10995	0.9
203.11780	0.5
217.13399	4.3
218.14148	17.5
464.25476	66.4
466.03983	0.4
489.01334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2552
Annotation	(-)-14-deoxy-17-Norparaherquamide
Peak:m/z	Relative Intensity
51.50683	0.1
55.92972	0.2
58.06588	1.1
61.14997	0.1
71.29970	0.2
84.58822	0.2
160.07574	35.7
161.08360	1.2
170.09674	1.3
174.09111	1.2
175.09976	0.3
186.09145	100.0
187.09924	29.5
202.11018	1.0
203.11803	0.7
217.13332	4.9
218.14146	18.9
317.18573	0.3
464.25464	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2548
Annotation	(-)-14-deoxy-17-Norparaherquamide
Peak:m/z	Relative Intensity
50.32647	0.2
53.56720	0.2
56.51835	0.2
58.06582	1.2
66.20474	0.2
67.85548	0.2
71.39470	0.2
84.85346	0.2
89.03932	0.3
115.05450	0.3
117.05696	0.4
149.78891	0.3
160.07574	36.7
161.08353	1.0
170.09615	1.4
174.09093	0.9
186.09145	100.0
187.09927	27.4
202.11015	1.2
203.11844	1.1
208.41525	0.2
217.13367	4.9
218.14146	14.1
295.96103	0.3
464.25458	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	464.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75560	1.2
54.24559	1.0
67.30735	1.2
70.42841	1.2
72.08131	1.2
77.51498	1.3
82.12060	1.2
87.33923	1.3
90.25043	1.2
92.17808	2.4
96.08148	1.3
103.85802	1.2
114.09177	2.8
128.81241	1.2
142.97861	1.3
144.08127	2.2
160.07578	36.2
164.46353	1.4
170.09645	6.3
171.10278	2.4
177.05551	2.0
186.09151	100.0
187.09943	29.2
200.13124	2.0
217.13368	2.1
218.14186	18.0
387.02084	1.3
464.25449	84.9
464.30698	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	464.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47368	1.6
50.57594	1.5
51.50264	1.3
52.34039	1.6
57.03434	9.4
57.43088	1.8
61.02927	7.6
69.03434	16.0
72.50048	1.5
73.02923	56.0
73.33362	1.6
79.05504	17.8
81.03396	2.7
81.07055	2.2
85.02911	46.7
87.04430	1.9
91.05466	7.7
93.07046	100.0
95.04982	3.0
97.02900	28.9
99.04485	2.7
107.08586	21.9
109.02874	3.1
115.03927	21.3
127.03902	19.8
133.04962	12.7
135.11710	35.6
144.08084	6.6
145.04973	14.1
150.77534	1.9
160.07547	26.1
163.06050	7.2
170.09659	11.5
171.10431	3.2
186.09155	76.2
187.09967	20.5
187.11450	2.1
187.12086	1.8
200.13060	3.1
209.56908	1.7
217.13516	2.5
218.14252	15.1
223.06154	2.2
241.07074	3.2
259.08133	10.3
267.15936	3.9
277.08997	2.5
279.15891	1.8
295.10379	8.5
464.25394	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87753	1.9
52.37795	1.9
55.01889	3.2
57.03436	5.1
60.41161	1.7
60.55791	1.9
61.02924	5.2
69.03439	16.1
73.02924	46.5
73.24722	2.0
74.92853	1.8
79.05496	18.9
81.03458	2.5
85.02921	44.3
91.05478	8.5
93.07049	100.0
94.82939	2.2
97.02903	41.8
107.08606	27.8
109.02918	4.0
115.03925	22.1
119.08578	2.8
127.03912	19.8
133.04968	14.1
135.11717	37.9
144.08084	10.1
145.04918	16.1
147.11775	2.1
158.09590	2.3
160.07565	32.3
163.06067	4.7
170.09677	14.8
171.10406	2.7
186.09143	90.0
187.09935	26.5
200.13060	2.5
209.09233	2.1
217.13290	3.4
218.14172	19.6
241.06973	3.3
259.08124	12.6
267.15997	3.3
276.32388	2.0
295.10196	10.3
299.08472	2.5
464.25430	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21159	0.4
58.06590	0.7
69.98717	0.4
70.06620	0.4
70.41955	0.4
71.91344	0.4
103.10478	0.4
118.95962	0.5
119.35529	0.5
121.00230	0.5
132.98029	0.5
160.07579	35.9
161.08389	0.7
170.09630	1.0
173.08417	0.6
174.09215	0.7
186.09154	100.0
187.09929	44.0
202.10985	0.8
203.11804	0.7
209.08083	0.5
217.13367	8.0
218.14145	40.4
232.15742	0.8
265.08722	0.5
265.48120	0.5
354.92175	0.5
359.20898	0.5
400.22351	14.4
464.22159	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65332	2.3
55.01859	3.1
56.62828	2.3
58.99590	5.3
64.94473	2.3
67.05505	10.8
69.07085	3.3
69.33750	2.3
71.04980	4.9
71.48138	2.6
75.70589	2.1
76.02216	4.9
79.05479	14.8
81.03427	3.4
81.07062	66.4
83.04974	4.8
83.08622	3.4
85.06535	4.6
86.00658	30.6
86.99081	3.7
87.04494	2.7
88.03997	5.9
91.05482	9.1
93.07058	17.9
95.05025	3.3
95.08617	5.7
97.01089	2.9
98.09687	11.3
99.08117	3.9
105.00116	4.9
105.07032	6.0
107.08609	10.1
109.06518	13.0
111.08044	4.2
117.06994	3.8
119.08563	5.3
121.10152	22.4
122.02721	34.8
123.11784	3.2
127.07574	20.4
131.08582	11.1
132.01158	100.0
133.10120	12.9
136.11235	3.8
137.09642	4.1
151.11172	9.5
156.08456	3.3
165.07306	4.4
167.10660	9.6
170.09721	3.5
202.08957	26.6
224.10887	3.5
235.20114	2.3
240.10555	10.1
254.12210	2.7
261.18600	3.6
270.11606	3.0
279.19604	13.1
307.19089	5.5
309.17447	2.7
316.12228	16.0
320.16577	3.1
334.13409	2.8
410.19983	28.7
428.21024	44.4
446.22021	38.1
464.23303	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	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
53.13611	0.3
55.05511	1.8
57.07072	1.9
60.87576	0.4
60.96120	0.4
67.05505	0.5
69.03436	0.8
69.07059	0.4
72.08148	0.4
72.32116	0.4
76.12476	0.4
79.05502	0.4
81.07051	0.7
83.04964	1.8
85.02911	3.9
85.06530	0.8
87.00826	1.8
93.07043	2.1
95.08623	4.8
95.09186	0.6
96.22867	0.4
97.02911	3.3
97.06525	2.6
99.04474	0.9
105.01868	2.2
105.07016	0.6
107.08603	5.0
109.02895	4.0
109.10156	0.7
111.04454	26.5
111.08064	0.6
119.08611	0.5
121.10125	0.8
125.06000	7.1
127.03938	4.2
127.07589	0.8
135.08098	2.8
135.11688	8.5
137.13188	0.5
139.07524	0.9
145.04973	0.8
145.10127	6.1
153.12787	3.6
159.02930	0.4
163.11197	11.1
170.09610	0.6
181.12241	100.0
199.13293	9.3
231.05067	2.0
249.05983	0.8
268.71021	0.4
325.16339	0.4
411.15952	0.5
417.15488	1.9
446.26242	0.5
464.27899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64819	0.3
53.03962	0.6
55.01884	2.1
56.05045	0.4
57.03447	0.8
60.04525	0.7
61.02945	0.6
67.05513	5.4
68.99803	0.5
69.03448	4.8
70.06601	2.0
71.05000	1.4
71.08630	0.4
71.55033	0.3
72.08175	1.6
73.02929	2.3
74.02431	0.7
74.56194	0.4
76.36224	0.4
79.05508	2.1
81.03418	5.5
81.07068	0.8
82.06590	0.7
83.04986	2.0
84.04514	1.5
84.08159	0.9
85.02915	17.6
86.09711	1.9
87.00839	5.1
88.11283	4.0
91.03992	0.6
91.05505	0.4
93.07054	3.6
95.04972	0.8
95.08630	1.6
97.02895	6.8
98.09705	0.6
99.04455	4.5
101.06033	2.8
104.05321	0.5
105.01887	4.1
107.04906	1.5
107.08594	5.2
108.04484	0.5
109.02893	8.5
109.06496	0.4
109.10174	11.6
110.06049	0.8
110.09705	1.9
111.04465	0.4
113.06014	16.1
114.05558	0.7
117.01836	0.6
117.07014	1.6
119.25209	0.3
120.08106	0.4
122.02722	0.5
122.06026	0.4
123.08098	1.7
123.59421	0.4
124.11242	7.2
127.03922	9.0
129.01834	1.5
130.05000	0.7
131.07025	0.6
134.09654	5.7
135.08058	11.9
136.07635	0.6
137.06000	0.5
141.01854	0.4
145.04944	2.9
147.02954	0.4
147.07616	0.4
152.10716	84.8
153.09135	1.6
159.02907	6.1
159.07983	0.5
161.06078	0.5
166.12292	0.5
167.07008	0.7
167.34048	0.4
170.11766	84.4
178.30981	0.4
180.10158	4.0
187.07515	0.5
193.08638	0.6
194.11757	3.7
198.11259	27.0
199.06056	0.4
212.12836	2.2
213.67021	0.4
216.12318	100.0
231.05124	0.6
232.13274	0.7
240.12361	0.7
258.13379	3.4
260.12784	1.6
306.13541	2.6
410.14462	3.9
428.15417	1.8
446.16629	4.3
464.11450	0.9
464.17584	17.9
464.23984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75007	0.9
58.06610	1.2
69.03438	0.7
70.06593	11.8
72.07872	0.7
72.08166	12.6
84.04504	1.6
84.08150	3.7
85.02910	1.3
85.61591	0.7
97.02911	0.8
98.97589	1.1
105.14738	0.7
108.78699	0.9
110.07147	1.2
112.08738	3.8
122.07153	1.0
123.04430	3.4
127.08685	3.5
130.09778	9.1
133.63548	0.8
136.07593	3.9
152.07050	0.8
155.08136	1.3
155.11836	0.8
158.99693	1.5
163.03886	6.0
165.05496	1.8
182.08154	1.7
194.04976	3.2
228.33902	0.8
238.03964	4.2
256.04938	3.5
302.06668	1.1
302.19556	0.9
332.06058	0.9
335.19699	3.1
354.26709	0.8
376.14182	3.3
388.34772	0.9
403.48935	1.0
447.21539	1.2
464.11713	100.0
464.23904	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	463.2593
Annotation	BU-4664L
Peak:m/z	Relative Intensity
50.38033	0.2
52.03780	0.3
56.89981	0.3
58.06590	1.3
81.07058	0.4
122.09686	0.5
144.08087	27.1
145.08852	1.2
157.88512	0.3
158.09647	1.8
167.07040	1.4
168.21185	0.3
170.09639	100.0
171.10414	24.8
171.11893	0.7
177.05510	1.5
186.11514	0.4
192.87976	0.3
201.13898	4.1
202.14647	15.0
215.86221	0.3
224.93134	0.3
242.54575	0.4
385.16217	0.6
463.25919	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55382	0.3
52.82050	0.3
56.04771	0.3
56.47430	0.3
57.67275	0.4
63.41764	0.4
70.06565	2.3
72.08159	2.7
82.06547	0.4
84.08098	0.6
103.27586	0.4
123.04427	0.5
133.09476	0.4
138.09143	0.4
144.08087	28.0
145.08853	0.7
158.09683	1.6
160.00993	0.4
163.03859	0.8
165.05452	0.4
170.09639	100.0
171.10425	28.8
177.05521	0.4
199.03899	0.5
201.13869	2.3
202.14647	21.4
222.11336	0.5
225.55920	0.4
272.61124	0.4
274.91464	0.4
315.15610	0.4
463.24527	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10118	0.5
78.79578	0.4
80.20347	0.5
80.36168	0.5
81.15744	0.4
96.56856	0.5
104.80228	0.6
117.31920	0.5
119.19160	0.5
144.08086	24.7
149.77800	0.5
155.23856	0.5
158.09642	1.0
161.47231	0.5
170.09641	100.0
171.10422	45.8
187.12349	0.6
201.13846	3.2
201.76141	0.5
202.14655	80.5
243.78746	0.5
301.19107	52.9
463.24390	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	463.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33507	0.3
57.77600	0.3
58.06591	0.7
60.33323	0.3
60.42400	0.3
68.52564	0.3
70.06577	0.7
72.08149	0.6
78.13461	0.4
99.86427	0.4
125.03072	0.3
131.93936	0.3
133.02843	1.4
134.03160	0.6
144.08086	26.6
145.08881	1.3
158.09627	1.7
159.10475	0.6
170.09642	100.0
170.92412	0.4
171.10423	27.1
187.12337	0.4
191.07054	0.7
192.07333	0.5
201.13892	4.3
202.14647	21.5
227.15355	0.4
245.16521	2.2
254.11351	0.4
301.19193	0.8
369.76498	0.4
411.60880	0.4
445.23325	1.6
463.24408	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22351	0.5
56.08714	0.5
67.04284	0.6
144.08095	26.3
145.08841	1.2
170.09642	100.0
171.10416	40.1
201.13866	3.0
202.14647	64.3
265.33020	0.8
301.19101	40.4
405.20529	0.6
416.10648	0.8
428.52097	0.7
463.24344	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06570	0.6
61.16459	0.2
70.06562	0.9
72.08163	1.8
86.09665	0.4
89.10745	0.2
92.18410	0.3
144.08096	24.6
145.08842	1.1
158.09654	1.3
159.10425	0.4
170.09653	100.0
171.10429	25.9
187.12288	0.4
201.13896	3.6
202.14662	21.0
205.26955	0.2
272.83676	0.3
326.79898	0.3
331.17441	0.4
406.72931	0.3
463.24799	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	0.5
71.59751	0.2
71.80251	0.3
73.55653	0.3
78.73970	0.3
92.03090	0.3
92.18391	0.5
98.13786	0.3
98.59824	0.3
144.08096	25.5
145.08839	1.0
145.88475	0.3
158.09650	1.3
159.10510	0.4
170.09651	100.0
171.10428	28.6
201.13887	4.3
202.14665	26.1
254.72926	0.3
301.19067	0.7
463.24408	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.9809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68064	0.4
58.94990	0.4
61.70568	0.4
73.63174	0.4
86.74366	0.5
94.92963	0.6
108.98988	0.5
113.42417	0.5
145.46310	0.6
180.97513	4.0
194.11232	0.4
198.98482	1.0
220.90775	0.5
240.99632	1.7
250.89479	2.0
250.97189	100.0
301.01743	0.9
312.50534	0.5
421.06284	0.6
435.46631	0.5
462.97900	1.0
463.07126	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	463.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28147	0.3
58.06600	0.7
60.84770	0.3
72.79533	0.3
86.06094	0.5
93.63074	0.3
120.08108	0.5
128.28845	0.4
137.16583	0.4
144.08093	27.5
145.08879	1.3
158.09624	0.4
170.09651	100.0
171.10426	26.7
187.12349	0.3
201.13885	4.4
202.14655	20.3
233.30717	0.4
304.75488	0.4
343.46497	0.3
385.35052	0.3
416.68542	0.4
426.34113	0.4
431.41418	0.4
463.24420	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2756
Annotation	Paraherquamide F
Peak:m/z	Relative Intensity
52.16306	0.2
58.06595	0.3
63.59906	0.3
68.11442	0.3
72.08157	0.3
129.26874	0.3
143.07224	0.3
144.08093	26.8
145.08908	0.5
158.09622	1.7
170.09639	100.0
171.10420	21.8
201.13858	5.8
202.14653	15.5
202.73209	0.4
249.24115	0.3
249.36053	0.3
287.24316	0.4
340.16241	0.4
462.27496	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56485	0.1
55.05524	0.3
59.05001	0.2
60.04544	0.3
61.27666	0.1
67.05511	1.0
69.03431	0.1
69.07080	0.4
70.02955	1.1
70.06604	1.8
72.04525	0.9
72.08167	2.9
75.02697	0.2
79.05492	0.8
80.33582	0.2
81.07069	2.0
83.08640	0.8
84.08152	21.3
85.01141	0.3
88.02219	1.1
88.03998	41.3
91.05482	1.3
93.07050	1.9
95.05003	0.4
95.08604	0.7
97.01127	2.3
98.06084	0.7
99.02690	0.4
100.02223	0.3
101.00638	0.3
101.10785	0.2
105.07044	2.1
107.08589	2.8
109.06545	1.1
109.10162	4.4
111.02699	0.3
112.07623	0.8
113.00623	0.7
113.10758	1.3
114.09174	22.4
114.92238	0.2
115.08700	1.9
117.07041	0.2
119.08579	0.8
121.10173	1.3
122.02721	0.8
123.08078	2.5
123.11728	0.8
125.04240	0.3
125.10754	0.4
125.34457	0.2
127.05781	0.2
127.07722	0.3
127.08682	2.4
131.08571	1.5
131.11832	1.7
132.01172	1.5
133.10133	6.7
134.09676	0.3
134.11002	0.2
135.11719	1.3
143.11809	31.0
146.02745	1.5
149.09650	0.3
150.12842	0.8
151.11188	7.2
156.11334	2.0
157.09735	2.6
157.13385	0.3
164.03532	0.2
165.07317	2.8
167.08910	3.1
173.13991	3.1
183.08391	1.7
184.04257	0.3
185.09973	0.2
193.13425	0.9
197.14076	0.4
204.17586	0.2
236.14864	0.2
239.13681	0.2
246.41853	0.2
247.18109	0.3
247.65877	0.2
254.12172	1.1
263.21194	1.2
265.19232	0.2
277.18073	0.2
281.22400	0.8
290.14197	2.1
305.17575	0.3
305.23331	0.4
323.24170	0.2
331.20493	0.4
333.21970	1.3
339.22269	0.4
357.23279	0.8
373.22650	0.9
375.24237	4.2
417.25253	0.8
420.25253	1.0
444.20282	1.2
444.25946	0.2
445.24890	4.4
462.27463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2749
Annotation	Paraherquamide F
Peak:m/z	Relative Intensity
52.10189	0.5
52.65914	0.6
53.51562	0.5
59.10958	0.6
67.16653	0.8
68.97942	0.7
69.07074	0.9
70.02946	1.2
70.06590	1.1
72.04497	1.1
72.08138	3.9
76.67448	0.7
81.07079	0.6
83.08633	0.7
84.08147	20.5
84.51321	0.7
84.69275	0.6
85.01149	0.7
88.03993	37.9
93.07050	1.4
105.07022	1.6
107.04952	1.2
107.08611	1.4
109.10146	4.2
114.09176	19.0
115.08726	0.9
120.25475	0.7
121.10110	0.6
123.08063	3.1
127.05796	1.2
127.08642	1.2
131.11810	1.6
133.10112	8.1
136.58463	0.7
143.11794	28.4
151.11157	6.2
156.11349	1.2
157.09781	1.4
165.07304	2.7
166.81535	0.8
167.08878	2.9
173.14003	1.3
183.08458	1.0
228.30133	0.8
254.12132	1.6
263.21194	1.2
280.28098	0.8
333.22299	1.1
375.24310	3.1
445.24704	4.5
462.27466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2395
Annotation	Notoamide F
Peak:m/z	Relative Intensity
52.58501	0.3
54.37499	0.3
57.00293	0.3
57.56717	0.4
61.19138	0.4
69.07073	0.6
71.63387	0.4
72.08146	0.9
89.03813	0.4
91.05505	0.4
96.08103	0.6
98.69533	0.4
110.33492	0.4
114.09164	5.3
120.08102	2.6
132.08055	0.6
132.24594	0.4
132.65230	0.4
144.08090	70.7
145.08870	0.6
148.07568	6.1
156.08136	0.4
157.08885	12.4
158.09648	7.2
160.11201	0.6
170.09651	16.5
171.10419	2.7
172.11238	1.8
173.10722	0.6
175.06093	0.5
184.11269	0.5
187.08649	2.9
187.12305	3.9
188.13055	5.5
196.11194	0.8
200.10782	2.8
201.10300	2.4
209.16487	0.6
215.11807	8.6
216.12634	2.8
217.13356	2.4
224.10712	11.0
224.14333	0.7
228.16002	0.5
252.13896	0.8
254.14195	0.8
269.16479	11.4
287.17368	0.9
314.18723	0.4
315.17041	8.4
362.85028	0.4
434.24429	1.9
453.34030	0.4
462.23880	100.0
462.34750	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	461.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63435	0.4
59.03734	0.4
65.73368	0.4
70.06599	0.5
72.08157	24.4
85.02925	0.4
89.10791	26.1
91.05471	1.7
92.50877	0.5
98.06035	1.0
104.48888	0.4
115.08712	2.5
119.04933	2.7
125.74999	0.4
145.25284	0.5
147.04407	100.0
163.03885	2.3
218.11728	14.1
227.17557	0.5
234.11403	1.6
235.14404	69.3
311.24658	0.4
329.15033	1.0
461.19565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46109	0.5
55.05513	0.7
55.09902	0.5
56.62035	0.4
58.06605	2.8
59.07399	0.6
69.05812	0.6
70.06593	5.2
72.04522	2.3
72.08161	23.6
74.09725	6.5
79.05499	0.7
84.08150	0.7
85.02924	0.9
89.10805	8.5
93.07026	0.8
95.04984	0.9
98.06042	0.9
100.07626	8.7
109.06481	0.5
115.08698	0.8
116.05355	0.7
118.03239	4.3
119.08543	0.7
121.10160	0.7
127.57922	0.5
129.89389	0.6
131.08405	0.6
133.10112	0.6
135.04425	1.1
135.05887	3.1
144.08087	2.2
144.10211	2.2
145.02849	4.2
163.03908	100.0
212.10710	1.4
212.29758	0.6
224.96796	1.1
233.10757	1.0
233.12833	7.0
234.11252	6.6
236.14940	14.0
243.86258	0.6
250.13084	7.5
251.13902	17.6
277.11887	1.3
294.08044	1.0
297.09058	23.8
339.04691	1.1
412.13501	0.7
430.14841	4.0
444.25858	3.5
462.17673	5.0
462.27521	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	461.2763
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
51.28944	0.5
55.05518	3.8
55.26970	0.4
56.05048	0.6
56.86210	0.5
56.88031	0.5
67.05492	0.6
69.07077	0.6
70.06602	14.9
72.08160	45.1
77.99992	0.5
81.07043	1.2
83.06193	0.6
84.08145	3.8
85.02912	0.5
86.09697	0.6
88.07635	100.0
93.07031	0.6
95.05000	0.8
95.08627	0.9
98.06049	2.9
99.05573	0.6
100.11256	2.1
109.10185	0.7
112.07641	0.7
112.11255	2.1
115.08728	2.1
119.36951	0.6
127.03927	0.8
127.08663	0.7
132.79906	0.5
133.09784	2.7
134.06015	4.6
136.07593	1.2
140.07062	1.2
141.10199	0.8
144.08125	2.4
145.45227	0.6
155.11848	2.1
156.12605	0.7
156.13890	1.2
160.07645	0.9
170.09621	3.9
171.10371	0.7
183.11319	0.9
199.14458	0.9
201.15955	1.2
202.12289	15.5
211.14456	0.7
213.18520	0.6
227.13866	8.7
301.19125	2.3
326.20752	8.3
327.36475	0.5
334.21518	0.7
362.20984	2.8
374.20782	11.6
399.23904	0.7
430.23578	3.1
433.28125	7.1
443.26242	1.0
461.27658	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
63.22145	0.6
66.39432	0.6
67.05507	5.0
69.07060	1.8
70.06591	4.5
72.08144	5.0
79.05490	8.0
81.03434	7.1
81.07069	10.6
82.49639	0.7
83.04980	3.1
83.08625	3.0
85.02903	1.1
89.10807	1.0
91.05480	9.1
93.07036	6.9
95.04973	3.9
95.08603	4.0
97.06530	6.2
97.10159	2.9
98.06009	0.9
105.07030	7.7
107.04961	2.9
107.05669	0.7
107.08600	5.8
109.06531	3.1
109.10161	4.1
111.08160	0.9
115.08701	1.1
117.07008	1.3
119.08579	6.7
121.10114	5.3
123.07996	0.9
123.11720	1.2
126.66827	0.7
127.63577	0.7
129.06993	4.4
131.08562	7.9
133.10136	11.2
135.04395	1.4
135.11714	3.7
143.08519	1.2
145.02826	1.4
145.10143	3.1
147.11678	10.9
149.09651	1.1
149.13272	2.8
151.11154	1.0
157.10117	9.5
159.04500	0.8
159.11714	3.2
161.02357	2.5
161.06067	1.1
161.13223	3.3
163.03900	45.3
164.07005	1.1
165.12750	0.9
167.07108	1.8
171.06726	0.8
173.02347	3.6
175.11200	7.1
176.11966	6.7
177.05438	1.2
177.12764	3.2
185.05988	0.9
187.03906	6.0
192.88393	0.9
193.12238	5.1
199.03922	4.7
199.11374	0.9
213.05472	10.8
217.08607	0.8
225.05484	4.9
227.06915	0.9
239.07079	4.0
253.08647	1.2
253.19598	1.4
255.21080	3.8
271.20584	4.1
273.22186	4.3
287.20267	1.0
309.14865	3.5
337.14331	16.3
355.15375	8.8
369.24438	0.7
381.88223	0.7
386.48898	0.9
401.15247	1.4
425.30258	1.0
443.31241	0.9
444.23630	1.2
461.26529	100.0
461.32672	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	461.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
59.76326	0.6
67.38562	0.5
70.06606	5.4
72.04514	2.9
72.08163	8.5
79.05492	0.9
81.07063	2.5
82.98616	0.6
84.08150	49.1
85.02910	0.8
88.03983	4.2
98.06068	2.8
105.07034	0.7
107.08584	1.3
112.07590	1.0
114.09172	32.5
115.08681	9.1
121.10072	0.7
125.10747	1.4
127.08682	5.4
131.08566	3.0
139.05695	0.9
143.11810	50.0
144.11287	0.8
148.11227	2.8
149.09630	11.7
153.05556	0.5
157.09734	13.7
163.03940	0.8
174.09225	0.8
180.08566	0.8
181.06830	2.4
202.15900	0.6
206.10037	0.7
246.14896	2.4
252.10605	3.5
261.19626	1.1
356.20145	1.0
443.23297	11.0
461.24323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.0
60.63545	0.7
62.39813	0.7
65.62887	0.8
70.06602	8.2
72.04504	1.3
72.08157	12.8
74.99994	0.8
81.07060	2.0
84.08147	52.4
86.09707	2.0
98.06084	1.1
104.70082	0.8
106.39665	0.8
107.08611	1.4
112.07626	1.3
114.09168	46.5
115.08669	5.7
119.08567	1.1
122.02668	1.2
125.10767	1.2
127.08674	4.9
131.08534	3.4
131.11807	1.9
132.01181	1.0
139.08644	2.0
141.10222	1.1
142.03201	2.0
143.11800	73.5
148.11197	8.6
149.09595	6.2
157.09717	11.7
163.05771	1.3
170.02676	2.0
174.12366	1.9
186.12340	1.7
188.03850	4.8
189.10133	1.6
191.11792	1.2
198.12410	1.6
199.10780	1.0
202.15973	1.8
204.10188	1.5
245.16505	1.9
246.14931	3.6
252.10579	7.1
254.13313	1.0
261.19629	4.6
300.13809	3.3
304.20200	3.7
336.90329	1.0
343.14359	1.2
418.23666	5.1
443.23288	1.6
461.24313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14704	5.4
56.90965	4.7
56.96579	4.5
61.61464	5.5
65.04826	5.4
68.97120	5.6
70.57227	4.5
85.23363	5.1
90.87130	5.5
98.97599	56.4
109.10208	5.0
111.77010	5.1
112.99157	10.6
114.91755	5.7
115.21067	5.3
116.98643	20.1
131.00182	64.4
134.99651	21.8
137.05984	7.6
149.01219	100.0
167.02205	8.8
191.02367	5.6
201.61438	6.9
202.46492	5.6
220.93631	5.4
248.75717	5.5
285.17447	50.4
327.18381	81.3
345.19467	8.0
359.21002	30.8
401.22165	85.3
461.23831	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
59.76326	0.6
67.38562	0.5
70.06606	5.4
72.04514	2.9
72.08163	8.5
79.05492	0.9
81.07063	2.5
82.98616	0.6
84.08150	49.1
85.02910	0.8
88.03983	4.2
98.06068	2.8
105.07034	0.7
107.08584	1.3
112.07590	1.0
114.09172	32.5
115.08681	9.1
121.10072	0.7
125.10747	1.4
127.08682	5.4
131.08566	3.0
139.05695	0.9
143.11810	50.0
144.11287	0.8
148.11227	2.8
149.09630	11.7
153.05556	0.5
157.09734	13.7
163.03940	0.8
174.09225	0.8
180.08566	0.8
181.06830	2.4
202.15900	0.6
206.10037	0.7
246.14896	2.4
252.10605	3.5
261.19626	1.1
356.20145	1.0
443.23297	11.0
461.24323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40383	1.4
51.45772	1.5
53.03942	4.0
55.01865	11.2
55.05516	11.3
55.05737	1.4
56.76531	1.2
57.03440	3.8
57.07077	1.6
59.04993	2.4
61.02926	2.8
64.81269	1.3
67.05508	3.1
67.23805	1.4
69.03436	47.7
69.06761	1.5
69.07072	33.1
70.06586	7.3
70.39158	1.4
71.04976	10.6
72.08137	7.0
73.02901	11.0
81.03423	38.0
81.07072	23.1
81.39894	2.2
83.04965	10.9
83.08611	8.4
84.08130	11.0
85.02427	3.3
85.02911	77.9
85.06548	16.0
87.00826	27.6
87.04444	1.6
91.05461	17.1
93.07029	9.6
95.04975	1.6
95.08596	31.8
97.02895	30.1
97.06537	6.1
97.10184	11.9
99.04465	24.0
99.08092	31.5
105.01870	21.6
107.08609	20.1
108.67251	1.6
109.02879	59.4
109.10159	14.0
111.08041	2.5
111.11699	7.8
113.09631	9.6
115.03958	1.9
119.04952	19.3
119.08607	2.4
121.10138	30.1
123.08067	2.3
123.11667	7.2
125.09610	10.4
127.03915	81.2
129.01845	9.1
135.11678	19.3
137.13283	15.6
139.11189	2.8
145.04958	20.7
147.02870	3.0
151.14799	2.5
153.12758	13.8
159.02885	27.9
163.03871	9.7
167.07004	2.1
177.16379	43.0
195.17455	52.2
213.03914	1.9
213.18494	100.0
231.04988	10.5
281.08005	16.2
384.45682	1.8
425.21896	2.3
457.82785	1.9
461.23630	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03375	0.9
70.06577	3.7
70.61729	0.8
72.08125	5.5
84.08137	1.0
85.02884	1.3
86.09673	3.6
98.05999	1.1
107.04906	0.9
115.08652	1.0
117.03327	1.7
127.03912	1.1
135.07965	1.3
145.02843	33.6
147.04370	1.6
149.05951	1.2
149.09618	1.5
153.65149	0.9
163.03854	1.6
177.05467	61.0
177.08862	1.1
179.06963	1.5
181.37552	1.1
195.10008	1.5
201.03635	1.1
204.86028	0.8
213.11131	2.0
265.15280	1.5
307.86206	0.9
325.10809	1.0
333.07925	11.9
355.11807	1.5
373.12494	1.7
385.54239	0.9
461.19684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03375	0.9
70.06577	3.7
70.61729	0.8
72.08125	5.5
84.08137	1.0
85.02884	1.3
86.09673	3.6
98.05999	1.1
107.04906	0.9
115.08652	1.0
117.03327	1.7
127.03912	1.1
135.07965	1.3
145.02843	33.6
147.04370	1.6
149.05951	1.2
149.09618	1.5
153.65149	0.9
163.03854	1.6
177.05467	61.0
177.08862	1.1
179.06963	1.5
181.37552	1.1
195.10008	1.5
201.03635	1.1
204.86028	0.8
213.11131	2.0
265.15280	1.5
307.86206	0.9
325.10809	1.0
333.07925	11.9
355.11807	1.5
373.12494	1.7
385.54239	0.9
461.19684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61385	0.2
53.00275	0.2
55.01881	2.6
57.03441	0.6
57.09078	0.2
60.87966	0.2
61.02930	1.3
65.02796	0.2
66.28654	0.2
69.03436	4.2
71.04987	0.9
73.02913	0.4
75.64498	0.3
79.05518	0.4
81.03424	1.5
85.02908	16.4
87.04478	0.4
91.03963	0.5
91.05480	1.1
95.04981	0.5
97.02888	5.4
99.04459	1.0
103.05449	0.3
105.07028	0.3
107.04958	100.0
109.02906	1.8
115.05460	0.5
117.07014	1.4
119.04970	2.8
121.02904	0.9
121.06511	0.4
125.67195	0.2
127.03902	4.4
129.07013	1.5
131.04929	35.6
132.05702	3.1
133.06496	12.2
141.07057	0.3
144.05719	1.7
145.04965	3.6
145.06491	16.7
147.04457	0.9
149.05984	1.1
157.06488	13.7
157.07808	0.3
158.07314	0.5
163.07532	0.9
165.06882	0.4
166.07794	0.4
167.08527	0.5
169.06477	4.1
175.07500	2.2
179.08533	1.0
181.06534	1.4
181.10071	1.7
182.07256	0.5
187.07422	0.3
191.08588	2.9
193.10172	0.5
194.07239	2.6
195.08083	3.0
202.07758	0.3
203.08530	0.4
205.10229	1.8
207.08121	3.0
208.08875	2.7
209.09610	4.9
210.06738	1.8
211.07469	0.4
211.11041	0.3
215.08496	0.5
217.10136	1.0
218.07288	1.6
219.08043	3.3
220.08812	1.4
221.06073	0.3
221.09619	1.3
222.06699	0.3
223.07669	2.4
223.11151	4.7
225.09081	18.0
231.07957	0.3
233.09651	3.0
235.07516	0.4
235.11191	3.9
236.08315	4.6
237.09091	87.8
239.10652	23.9
245.07364	0.3
245.09604	1.6
246.10449	0.9
248.08266	1.4
249.09132	1.1
250.09851	3.8
251.10664	68.3
261.09109	1.2
263.10657	30.7
269.11725	16.4
269.14682	0.3
275.10583	1.6
281.11722	23.7
287.10614	0.4
299.12839	6.1
305.11841	1.1
377.13663	0.3
401.15778	0.3
413.15878	4.2
425.15891	3.5
431.16739	1.7
443.17026	6.8
461.18073	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	461.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67719	3.6
55.01886	3.2
60.71558	2.9
71.13544	3.2
91.05479	5.8
93.69416	3.4
95.04950	4.1
95.09521	3.5
95.52514	4.1
104.70245	3.7
107.04948	15.1
116.36836	3.8
129.07019	7.7
131.08556	15.2
133.06586	3.7
133.96709	4.0
141.07033	4.6
144.05696	6.8
156.05634	7.5
159.08014	24.0
161.05989	5.9
161.13202	3.8
163.03873	16.9
167.07033	100.0
170.09666	4.1
173.05879	4.0
177.05426	4.5
179.07117	5.0
179.26279	4.4
184.05167	5.1
187.07576	8.9
202.06224	14.9
217.08598	73.2
219.10197	18.2
247.09772	28.2
263.10684	4.6
264.80542	3.9
291.10516	4.5
315.08679	4.4
330.10751	4.3
351.12479	4.1
371.14938	23.1
383.14948	30.7
401.15918	20.1
461.26501	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1815
Annotation	Bipinnatin H
Peak:m/z	Relative Intensity
52.16520	2.9
71.98740	3.3
78.64075	3.3
81.07071	3.3
95.28018	3.3
98.72643	3.7
107.04959	25.4
121.10067	3.6
121.23615	3.5
124.05173	7.1
131.08597	16.0
135.08052	4.9
159.08092	21.0
161.05966	7.7
161.13251	26.4
167.07028	100.0
173.09610	14.3
181.04950	8.5
187.07558	35.6
190.31137	3.5
217.08574	33.8
219.10094	18.9
241.80952	3.6
247.09631	60.3
248.08311	4.6
255.21178	14.8
263.10693	16.2
273.22031	36.9
291.10172	14.0
307.09576	4.0
323.12814	7.6
351.12265	18.2
363.14804	5.7
383.14859	32.6
401.16052	24.5
406.27942	4.6
419.16821	5.6
443.17142	4.4
461.18158	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76367	1.2
66.55857	1.0
70.44413	1.1
79.05484	2.2
81.03432	1.7
86.97135	1.1
91.05463	2.6
95.04992	1.5
105.07053	1.3
107.04952	19.2
115.05463	1.4
123.04476	2.0
124.05195	1.4
128.06180	1.3
129.06985	6.7
131.04929	1.4
131.08546	16.1
133.06526	3.0
141.06989	6.0
142.93768	1.3
144.05714	8.0
144.08138	1.4
145.06493	1.7
149.05968	3.1
152.39725	1.2
156.05695	11.0
157.06506	8.3
158.07291	1.2
159.08083	18.4
161.05975	8.5
161.13249	2.3
167.07034	100.0
169.06369	1.6
169.07658	1.8
170.09700	1.6
172.05186	2.6
174.06779	1.3
177.05490	7.2
179.07057	7.7
181.04956	3.0
184.05150	10.1
185.05960	2.6
186.06866	1.5
187.07556	28.6
189.90097	1.4
191.07080	2.7
193.08611	7.4
202.06258	19.3
205.08607	5.0
215.07021	2.0
217.08604	92.0
219.08089	4.6
219.10118	25.6
221.08002	1.4
229.08801	1.4
229.51555	1.3
247.07483	3.2
247.09654	31.5
248.08252	2.7
263.10709	4.7
264.07791	7.1
273.22137	2.3
276.07867	1.5
279.10089	5.2
291.10144	2.9
293.08051	1.5
307.09619	5.5
308.10452	2.4
310.12122	2.1
315.08676	7.8
319.09778	1.7
323.12878	2.7
330.10797	3.0
337.10590	1.8
339.12396	2.6
351.12183	10.3
368.12363	1.4
371.14966	29.6
383.14868	23.9
401.15979	18.8
418.40945	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	460.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25432	0.2
51.40194	0.2
57.03422	1.7
57.07088	4.0
58.06607	12.4
59.07386	4.5
60.08171	5.9
64.89476	0.3
67.05491	0.5
69.07049	1.6
71.08644	3.6
73.02903	0.3
75.04459	1.2
81.07037	1.7
83.08619	0.5
84.48241	0.2
85.02898	1.1
85.10195	2.3
85.20036	0.3
87.04444	1.8
92.74004	0.2
93.05506	0.3
95.08611	2.5
97.10174	0.4
100.11262	0.4
105.05518	0.4
109.10159	0.6
109.53500	0.2
113.05979	1.4
123.11694	0.3
131.07030	1.3
144.10207	11.7
162.11275	1.9
174.42319	0.3
182.48993	0.3
218.13890	1.4
222.57452	0.3
236.14920	100.0
293.43613	0.3
299.25732	2.1
377.68442	0.3
398.36270	1.3
442.35309	11.1
460.36316	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36612	0.5
57.03429	1.2
57.07093	0.7
57.59816	0.5
58.06607	9.0
59.07379	3.3
59.54615	0.6
60.08158	4.0
67.05506	0.7
71.08607	1.1
75.04468	1.2
75.35265	0.6
79.05462	0.5
80.25542	0.6
85.02913	0.7
87.04479	1.3
95.08594	0.8
97.53733	0.7
101.95643	0.7
115.44414	0.6
121.05912	0.8
131.07057	0.9
144.10211	5.8
162.11238	3.7
216.56804	0.8
216.58853	0.6
236.14922	100.0
392.95218	0.7
398.36163	0.6
442.35382	9.1
445.90781	0.7
460.36334	54.1
470.76440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	10.7
60.08162	5.9
60.22552	1.1
73.41428	1.3
75.04499	1.4
85.02920	1.5
87.04470	1.5
95.08597	1.5
102.05552	1.9
119.08496	1.7
144.10168	7.4
162.11226	3.1
167.07013	1.3
169.06627	1.4
175.61263	1.4
236.14929	100.0
245.08147	1.6
246.08578	2.5
347.20532	1.5
357.14139	1.4
442.28018	9.1
459.22656	1.4
460.29025	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.3
57.07084	1.2
67.05495	5.3
69.03421	2.5
69.07074	7.7
70.06567	1.7
72.08145	1.5
73.02923	1.0
74.00666	2.2
79.05492	5.6
81.07063	17.9
83.08624	4.7
83.61724	1.0
84.04484	1.3
84.08161	4.6
85.01136	1.6
85.02930	8.7
85.06552	11.5
87.00762	1.0
88.02235	11.8
88.03997	6.0
88.11265	1.6
91.05481	5.9
93.07066	17.1
95.04965	1.5
95.08611	28.4
97.02866	1.4
97.06528	7.2
97.10187	1.6
99.02686	2.6
99.04430	1.1
99.08092	2.2
100.02192	4.6
105.01875	1.7
105.07033	24.6
107.08604	28.1
109.02855	1.8
109.06523	2.6
109.10165	21.2
111.02641	1.6
111.08074	5.3
113.04219	1.2
114.09151	1.8
117.06985	1.9
119.08582	24.9
121.10151	25.6
122.02718	1.8
123.11723	7.1
125.09624	3.7
127.03928	4.1
129.03709	6.3
131.05301	1.8
131.08592	22.5
132.01160	5.6
132.08894	1.0
133.10146	27.6
134.02747	5.8
135.08040	1.6
135.11714	12.4
137.09631	4.6
141.01787	2.2
141.03667	1.3
143.08606	4.2
145.10124	22.2
146.02693	10.1
147.11685	24.1
149.02348	2.3
149.09645	1.5
149.13277	13.1
151.11147	1.2
155.08586	1.3
157.10118	12.0
159.02902	1.2
159.11705	49.1
161.13281	14.0
163.11205	2.1
169.06779	1.2
169.10211	4.3
171.04651	1.6
171.11700	10.9
173.13254	21.5
174.05844	1.6
175.11188	1.4
175.14818	20.7
177.05476	1.4
177.12755	28.6
177.16382	8.4
183.11699	5.6
185.13266	11.9
186.05894	4.7
187.04233	5.4
187.14803	16.8
188.07365	1.3
189.16357	1.9
195.06454	1.1
197.13284	2.4
199.14819	9.8
200.07545	7.7
201.16434	9.2
203.14255	2.2
203.17923	2.3
204.06866	1.5
205.15892	11.6
211.14871	7.1
213.16411	7.5
215.17934	15.0
216.06927	1.3
217.10651	1.3
223.17017	1.5
225.16359	7.9
227.17940	16.9
229.15677	1.4
255.21059	8.7
259.15268	1.4
267.21173	11.0
285.14917	1.9
285.22043	10.4
303.23141	1.4
317.19424	3.7
348.19745	2.3
357.41800	1.2
366.21063	5.8
376.22903	2.4
384.22168	1.4
388.23187	7.4
389.15936	5.1
394.24176	9.5
406.24109	33.8
407.17081	5.4
412.25238	8.8
416.19653	1.3
424.25177	45.7
442.20145	1.7
442.26212	42.2
460.20456	4.5
460.27200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07557	0.8
52.12762	0.7
52.51242	0.7
53.03209	0.9
54.77927	0.8
56.42487	0.7
59.04996	5.7
69.03423	5.3
69.55558	0.7
71.39867	0.8
81.07061	0.9
83.87800	1.0
85.02924	1.4
96.58740	1.1
103.07587	3.6
107.08591	10.7
108.43127	0.9
111.04401	1.6
112.55635	0.8
113.66831	0.9
119.08582	100.0
129.05498	1.7
133.06508	1.6
135.08055	26.1
190.08260	1.0
239.17987	1.0
281.13812	3.8
386.16943	1.0
415.21146	19.0
460.26663	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	460.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
63.04371	1.2
65.46157	1.2
69.03436	2.3
79.79493	1.2
81.03410	1.2
83.04973	1.4
84.60332	1.2
85.02896	1.8
91.05505	1.9
107.08591	11.2
111.04459	1.9
119.08584	100.0
135.08052	29.3
138.62842	1.3
163.16748	1.3
172.72269	1.2
213.20538	1.5
256.12729	1.3
281.13913	2.5
315.23703	1.5
364.45325	1.7
415.21158	23.8
447.99881	1.5
460.26254	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	460.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30077	0.4
57.03426	0.7
69.03446	5.3
75.38577	0.5
83.04967	0.9
85.02911	2.3
87.04515	0.6
91.05441	0.7
99.04498	0.5
101.16225	0.4
107.08610	9.5
111.04477	2.3
119.08587	100.0
129.05489	1.7
133.06525	2.0
135.08063	23.7
136.03192	0.5
147.06569	0.8
158.69661	0.5
168.81648	0.4
194.53821	0.5
241.54016	0.5
251.80276	0.5
281.13828	4.0
371.51462	0.5
414.86667	0.5
415.21158	22.1
415.26535	0.9
457.83850	0.5
460.26913	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	460.2593
Annotation	Phoebegrandine C
Peak:m/z	Relative Intensity
52.20365	0.7
63.48019	0.6
70.06567	2.8
72.04510	0.9
72.08186	5.2
75.93750	0.7
77.29092	0.6
81.07004	0.7
81.35945	0.6
84.05611	0.8
84.08153	22.4
85.02913	0.7
88.03999	24.1
114.09169	29.8
115.08691	1.3
127.02134	1.1
143.11801	42.2
145.03174	4.7
148.11128	0.8
149.09634	3.2
156.11311	4.5
157.09752	1.3
165.07124	0.8
173.12863	0.9
173.14043	9.9
188.03766	1.0
197.13908	1.1
239.14984	5.1
273.13660	1.7
288.12567	1.1
373.22574	3.4
444.98099	0.9
460.25912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43137	0.7
55.82481	0.7
62.15315	0.7
62.56630	0.6
70.06589	2.8
72.04486	0.7
72.08152	1.8
84.08159	22.3
86.09665	0.7
88.04003	28.0
96.72996	0.7
113.10722	0.9
114.08389	1.0
114.09177	27.9
115.08706	1.3
120.10429	1.0
125.10701	0.8
131.08585	1.4
135.84004	0.8
143.11810	43.8
145.03180	5.9
149.09668	1.5
155.25185	0.8
156.11383	3.6
157.09727	2.8
165.07295	0.7
173.13989	7.5
188.03862	0.9
239.15109	4.4
261.19748	0.8
273.13757	1.3
288.12750	0.8
303.21851	1.2
373.22766	3.7
415.23669	1.3
460.25937	100.0
473.75967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.2
56.90786	0.3
59.99117	4.8
67.05498	2.0
69.07050	0.6
71.08641	3.7
78.69153	0.4
79.05493	1.6
81.03413	2.7
81.07054	2.9
83.04977	0.7
83.08609	4.8
88.02221	23.2
91.05470	1.7
92.17889	0.9
93.07039	2.4
95.04982	10.2
95.08591	1.0
97.10156	0.8
99.08086	2.4
102.43044	0.5
102.43709	0.4
105.07009	2.3
107.04960	0.6
107.08566	1.7
109.06510	0.6
109.10153	1.0
109.43356	0.4
111.08088	0.8
116.05318	39.4
119.08556	2.0
121.10152	1.0
123.08066	0.9
125.09646	0.9
129.07021	0.6
131.08560	0.8
133.10158	1.0
135.11691	0.9
145.10144	1.0
147.08054	0.8
147.11703	1.6
148.02534	0.5
149.09621	3.6
149.17856	0.4
150.04066	6.9
157.10150	0.7
159.11752	0.6
163.11177	5.7
165.12805	0.8
175.11182	0.8
187.14647	0.4
193.12242	2.6
203.91582	0.5
211.13275	0.8
223.13278	7.9
275.20056	3.0
277.42569	0.4
293.21078	5.7
460.25500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43058	0.6
51.65546	0.5
57.46967	0.7
64.27209	0.6
64.90680	0.7
66.51752	0.8
69.07066	1.8
70.03321	0.8
81.07067	0.9
83.08629	6.1
93.07013	1.1
95.08591	1.1
109.10197	0.8
111.08022	1.1
111.39425	0.7
123.11633	0.7
145.02814	1.4
177.05472	1.8
182.54088	0.8
286.05725	0.8
287.18085	0.8
346.42429	0.9
391.28455	4.1
459.32944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03443	0.6
61.01160	19.3
61.02922	0.5
69.03433	4.2
70.06590	1.2
71.04989	0.4
72.08157	0.7
75.02720	2.1
81.03407	1.5
83.95088	0.3
84.08099	0.3
85.02911	9.6
97.02898	10.9
99.04461	0.6
103.02184	1.6
107.01678	0.3
109.02878	0.5
115.03904	1.6
119.03576	0.3
127.03902	1.8
136.06194	100.0
145.03191	6.1
145.04955	1.4
147.04681	0.4
153.22064	0.3
163.04253	4.1
188.68661	0.3
219.54713	0.3
298.09747	1.2
439.58801	0.3
460.14954	29.2
460.25333	1.6
470.92645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68501	0.4
65.69605	0.5
70.06599	4.9
71.80987	0.5
72.08154	10.2
84.04528	0.4
84.05634	19.3
84.07681	0.6
84.08154	13.5
85.02910	0.6
86.09682	0.8
106.92827	0.5
114.09174	13.8
130.15918	0.7
134.06343	0.5
136.08759	1.7
138.09340	0.7
138.10266	5.9
141.37540	0.5
144.10175	3.8
150.09119	0.8
155.25552	0.5
156.10229	0.7
180.10194	2.5
197.13940	2.3
198.11253	10.7
208.14471	2.1
216.12320	26.1
216.14420	0.8
226.15492	44.9
226.46414	0.5
229.15381	1.7
234.13348	4.9
241.92484	0.5
244.20360	0.5
278.18619	20.1
280.20172	8.5
297.22852	26.0
309.22675	0.9
339.23904	21.4
409.91797	0.5
423.25998	4.5
434.70105	0.6
441.27139	2.3
459.23071	4.4
459.28152	100.0
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
55.05517	2.9
56.61094	0.5
64.82153	0.5
65.94605	0.5
69.03433	0.9
70.06590	3.7
71.05033	0.6
72.08163	44.1
72.97041	0.6
81.07060	0.6
81.72906	0.5
84.08143	2.9
85.02890	2.4
86.09715	100.0
93.07058	0.9
95.08650	0.6
99.04479	0.5
99.08108	4.0
100.63944	0.5
107.04971	1.0
107.08604	0.6
109.02905	0.9
109.10176	1.2
114.10265	1.1
123.04420	0.7
127.03919	0.9
133.10158	1.2
135.04436	0.9
137.09637	0.7
144.08092	4.2
145.02910	1.1
147.04436	0.8
151.03929	2.3
155.10645	0.7
163.03926	7.3
165.05458	0.6
167.07030	0.9
170.09616	1.2
171.10027	0.9
174.75482	0.6
177.05429	1.3
185.16490	26.5
187.14426	0.6
193.15863	2.4
199.18097	5.0
211.13110	0.7
211.16977	2.3
212.79671	0.5
213.16000	16.9
247.12898	30.7
257.95102	0.6
281.22183	1.0
309.07663	1.3
326.24451	10.8
329.15405	0.6
339.08737	0.8
371.16739	1.1
459.18585	11.6
459.22409	2.8
459.28491	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	459.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	1.1
55.05497	1.7
67.05510	2.8
69.03429	2.1
69.07065	6.1
70.06590	2.7
71.05015	1.8
72.08188	3.8
72.43555	1.1
81.03416	2.0
81.07054	8.1
83.04983	7.6
83.08634	2.7
84.04492	2.1
84.08151	5.0
85.02906	5.7
86.09711	4.9
93.07053	2.1
95.08608	17.9
97.02854	1.5
98.06049	2.3
99.04504	1.5
99.08117	2.2
105.01859	1.2
105.07028	5.6
107.08612	12.4
109.02896	2.3
109.06502	7.9
109.10163	60.7
111.08068	1.3
113.09641	1.3
114.09172	2.7
115.08701	2.2
119.08587	21.5
121.09370	1.2
121.10111	10.0
123.08075	5.8
123.11717	5.4
127.03911	2.6
127.26382	1.2
130.05003	1.9
132.76381	1.1
133.10161	14.6
135.11705	62.1
137.09631	12.0
139.11250	1.3
143.11803	1.8
144.08113	1.6
145.10097	1.4
148.54573	1.2
149.13281	2.9
151.11208	7.4
151.14822	9.8
152.10655	1.1
153.12747	2.2
165.16464	2.2
175.14818	28.9
193.15892	36.8
201.67567	1.4
211.16930	100.0
238.12216	1.2
409.17496	1.3
412.17731	1.5
423.24835	1.5
459.26001	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25293	0.7
52.26026	0.7
52.75957	0.7
55.05510	3.3
57.07071	0.8
59.05011	1.2
67.05508	3.9
67.57035	0.7
67.74471	0.7
69.03418	3.5
69.07077	8.2
70.69389	0.7
71.05002	1.8
78.95750	0.7
79.05492	0.8
80.54026	0.7
81.03419	1.4
81.07079	7.3
83.04983	5.8
83.08623	5.1
85.02916	4.1
85.06540	1.3
87.00838	1.8
93.07053	3.5
95.04942	0.7
95.08613	20.2
97.02922	1.1
99.08084	1.3
105.01860	1.6
105.07034	2.9
107.08588	11.8
109.02884	2.7
109.06496	5.8
109.10164	74.9
111.08092	3.0
119.08588	24.4
119.15435	0.7
121.10148	8.8
123.08073	11.9
123.11716	7.2
127.03946	3.8
127.11208	1.0
133.10138	17.0
135.11700	73.4
137.09613	11.1
139.11195	1.8
144.05840	0.8
145.04881	0.8
149.13242	5.3
151.11188	7.7
151.14819	14.3
153.12729	3.9
165.16435	4.0
175.14833	34.5
193.15891	38.5
211.16934	100.0
344.45285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
59.05025	0.8
61.66662	0.7
62.11673	0.7
67.05510	3.8
69.03427	3.5
69.07068	6.3
71.05006	1.2
75.23297	1.0
80.70061	0.9
81.03409	0.9
81.07070	8.0
83.04974	6.1
83.08614	3.5
84.08165	0.7
85.02922	1.5
87.00851	1.1
89.06039	1.2
92.18435	0.8
93.07039	3.6
95.08620	17.1
97.02899	3.3
97.10207	1.8
98.71251	0.9
99.08075	2.9
105.07048	4.4
107.08612	11.7
109.06530	5.9
109.10167	63.3
119.08572	16.9
121.10137	6.5
123.08072	8.0
123.11732	4.8
127.03919	2.0
133.10144	13.3
135.11702	65.9
137.09627	16.6
139.11224	1.4
147.11722	1.3
149.13293	5.3
151.11188	6.6
151.14836	12.0
153.12706	1.6
165.16476	1.5
170.09625	3.2
175.14821	28.5
192.63402	0.9
193.15906	32.2
202.14754	0.9
211.16945	100.0
272.39215	1.0
272.96176	0.8
351.75052	0.9
459.24884	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	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86028	0.5
53.44128	0.5
54.24940	0.5
55.05512	2.6
57.07060	0.6
67.05511	5.0
69.03438	2.6
69.07071	7.3
81.03410	0.8
81.07074	7.2
83.04993	5.6
83.08623	4.6
85.02907	3.6
85.06549	0.8
87.00845	0.8
93.07034	3.3
95.08607	17.6
95.09182	1.2
97.02904	0.8
97.06517	0.8
99.04452	1.1
99.08092	3.3
105.07037	1.3
107.08597	9.7
109.02908	1.4
109.06535	5.6
109.10164	65.9
111.08076	2.8
111.11710	0.7
113.09647	1.2
118.30316	0.8
119.08579	18.8
121.10157	8.1
123.08062	9.1
123.11687	5.2
127.03932	3.1
133.10132	14.2
135.11697	65.7
137.09624	12.4
139.11143	1.3
149.13260	4.5
151.11192	6.3
151.14841	11.1
151.15962	1.1
153.12738	3.4
159.02870	0.7
165.16377	2.8
170.09668	0.6
175.14821	29.2
175.75645	0.6
193.15889	33.4
211.16928	100.0
273.56516	0.6
350.69901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40471	0.4
57.99133	0.4
62.77942	0.4
66.70068	0.4
70.06593	0.6
72.08146	2.9
86.09696	2.5
98.06089	0.6
103.05452	1.1
114.09163	0.5
115.08659	1.6
131.04936	6.4
132.05705	5.5
133.02898	0.6
148.05168	0.7
149.05986	0.5
160.05191	8.9
161.02467	0.6
161.05986	0.9
162.06628	0.5
163.03922	2.1
163.07529	2.3
167.07050	4.4
170.09596	0.6
173.05928	0.5
177.05499	5.1
179.07042	3.6
180.07831	9.0
187.03891	1.7
191.07034	25.5
192.07816	100.0
199.03984	0.8
207.06529	7.5
208.07275	0.8
242.74600	0.5
305.50500	0.4
307.66269	0.5
321.07440	0.9
325.10907	0.5
341.10159	0.6
353.10153	4.4
371.11230	26.8
413.13980	0.4
442.18573	2.3
459.21219	42.6
471.61533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40149	0.6
54.33108	0.7
56.16582	0.7
70.06590	1.1
70.77221	0.7
72.08138	3.9
78.11058	0.7
92.87640	0.7
98.06025	1.3
103.05453	1.1
107.04951	8.0
115.08723	2.7
121.06417	0.9
123.04414	1.0
131.04921	8.4
132.04863	0.9
132.05731	11.5
133.02835	1.5
133.06477	1.3
145.02872	1.1
147.04405	3.2
149.05959	0.9
151.07578	1.0
154.06216	0.8
160.05205	14.9
161.02405	0.9
161.05969	9.0
163.03877	4.9
163.07500	1.2
165.05417	1.6
167.07036	8.2
170.09607	1.8
171.10001	0.7
175.03877	8.7
176.04593	1.4
177.05446	3.5
179.07025	11.0
180.07822	27.7
180.73747	0.7
181.04967	1.4
182.09386	3.1
186.09088	3.6
187.03880	5.3
191.07047	27.7
192.07814	100.0
193.04984	1.1
193.08531	1.2
206.62022	0.7
207.06494	9.5
208.07298	1.8
210.08833	1.8
218.14211	0.9
223.07506	1.6
235.07558	1.1
241.08562	3.2
247.07332	0.8
251.07021	1.6
263.06943	3.1
265.08572	0.9
269.08069	26.5
275.06836	0.9
278.05634	1.1
279.06375	1.7
293.08105	1.4
297.07562	27.8
301.27594	0.8
308.06699	1.1
309.07120	0.9
311.09177	0.8
315.08737	0.9
321.07648	16.9
341.10138	1.1
353.10260	8.0
371.11261	45.1
442.18387	3.0
459.21188	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37738	0.2
61.02909	0.3
69.03424	1.6
70.06580	0.6
72.08141	0.5
74.04404	0.3
81.03439	0.3
83.04305	0.3
84.04514	6.2
85.02907	4.5
85.04550	0.3
91.05481	1.3
97.02902	1.7
97.28535	0.3
109.02856	0.3
119.04929	2.8
120.08095	0.4
121.08468	0.3
126.05552	0.4
127.03902	0.6
130.05005	8.4
138.06050	0.3
139.31958	0.3
151.07549	100.0
163.03911	0.3
166.08580	0.5
168.10199	5.8
234.11273	5.0
251.13857	0.5
280.11829	9.1
297.14450	31.9
331.62296	0.3
348.16843	0.3
459.19757	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67062	0.4
55.05492	0.6
55.18779	0.5
62.86243	0.5
72.08138	2.4
92.17821	0.8
93.55661	0.6
98.06056	8.6
104.06204	0.6
107.04928	0.8
108.97292	0.5
115.08709	10.5
131.04922	6.0
132.05725	8.1
137.05875	0.6
145.02837	0.6
147.04469	0.6
148.05098	0.8
149.05949	0.7
160.05186	11.4
161.05943	0.7
163.03854	3.4
163.07507	2.4
167.07079	4.9
170.09680	0.7
177.05492	5.1
179.07008	5.0
180.07761	7.4
187.03909	3.2
191.07028	24.7
192.07816	100.0
199.03947	0.8
207.06505	7.5
208.07289	1.3
297.07553	9.5
321.07416	0.9
334.16541	0.6
353.10172	6.0
371.11252	23.9
442.18521	2.4
459.21188	42.5
464.32294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22203	0.4
55.05491	3.0
62.06068	0.5
62.21279	0.5
69.03430	0.9
70.06606	4.0
72.08162	42.5
81.07034	0.7
83.04967	0.6
84.08132	1.3
85.02879	2.1
86.09713	100.0
93.07020	1.3
95.04924	1.0
95.08592	1.1
97.02841	0.7
97.07639	0.8
97.57433	0.6
99.08107	5.4
101.10767	0.7
105.01853	0.6
105.07017	1.0
107.04903	0.8
107.08548	1.0
109.02899	0.7
109.10106	1.0
110.05994	0.7
114.10265	1.3
115.02454	0.6
119.08543	0.5
122.05950	0.6
124.07497	0.6
131.12891	0.8
133.10068	2.6
134.04468	0.7
135.11652	0.9
136.07550	0.9
137.09564	1.3
138.09091	3.4
144.08003	0.9
145.02832	1.0
157.10832	0.6
163.03899	4.0
164.04646	0.9
164.06924	1.0
167.10437	0.9
170.09575	2.7
171.10414	1.0
175.11111	0.6
175.14789	0.8
177.05414	0.8
182.08057	1.1
185.16496	25.1
193.15898	1.9
199.18095	4.8
211.13055	4.9
211.16850	2.5
213.15985	18.9
222.11267	0.7
236.75893	0.5
247.12897	27.3
255.06537	0.7
262.27286	0.7
281.22250	0.9
309.07440	0.6
326.24323	10.3
329.15649	6.4
337.21469	0.6
360.21143	1.3
371.16763	7.3
373.18408	4.9
375.67517	0.9
381.98505	0.7
415.14813	1.0
415.19351	2.8
450.22098	4.0
459.18118	64.4
459.28110	9.7
484.79437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46449	4.2
63.60220	4.1
69.77280	3.9
78.85570	4.3
107.04974	7.6
117.91086	5.0
133.06503	4.8
134.59970	4.7
139.13634	5.0
153.05356	5.0
167.07037	28.1
181.04930	25.2
186.06735	6.8
200.08362	6.0
217.08566	9.1
229.08551	20.5
242.46140	5.1
245.08086	20.0
255.20970	7.4
261.09305	6.4
273.22046	11.1
305.08020	5.7
306.08719	5.7
323.09515	6.0
335.09418	11.0
337.07123	6.1
349.10657	6.7
350.11526	8.1
366.10809	18.0
367.11746	7.9
381.13351	100.0
399.14484	39.2
459.16870	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	459.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87174	2.9
50.95187	2.7
52.41771	2.8
56.68584	2.8
66.97092	3.2
75.81834	2.9
87.42753	3.1
97.49033	3.1
98.89281	3.2
111.30544	3.2
119.88198	3.3
136.78143	3.2
141.06972	5.2
167.07050	7.2
181.04930	4.3
186.06831	6.0
200.08182	4.2
200.92476	3.7
201.09215	14.5
205.08568	3.8
217.08635	4.0
229.08652	22.3
245.08191	6.0
260.08258	5.4
278.09433	3.7
306.08954	17.9
307.09711	4.8
321.11243	16.3
323.08820	10.6
334.08359	5.9
335.09018	15.4
349.10672	15.7
350.11185	6.0
351.08630	17.4
366.11017	19.5
367.11960	5.1
381.13315	100.0
399.14487	40.5
459.16470	14.3
464.24619	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	459.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82352	0.4
70.06585	1.0
71.20646	0.5
72.08154	3.1
79.05460	0.5
81.40176	0.4
84.04508	0.5
84.05624	0.5
85.02908	0.9
86.09705	2.4
90.89116	0.4
101.01273	0.4
101.83615	0.4
102.05534	0.6
120.06580	1.9
134.04590	0.7
145.43672	0.4
157.98973	0.4
165.02327	0.6
170.09737	0.5
180.09534	0.5
182.04956	80.3
208.02876	100.0
219.71928	0.5
240.82530	0.5
319.09402	0.4
327.08694	58.7
340.07047	0.9
371.34659	0.4
377.57889	0.5
459.12457	0.8
459.18570	1.0
459.30423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.93637	0.2
70.06580	0.8
71.04971	0.2
72.08159	2.0
84.08163	0.2
86.09737	0.2
98.06051	0.8
107.04949	1.3
110.06038	0.2
114.10256	0.2
115.08665	0.9
119.04884	0.2
121.02847	0.3
127.03866	0.2
131.04939	0.2
135.04414	0.4
144.59491	0.2
145.02846	0.2
147.04427	0.7
150.05473	0.2
163.03882	0.7
167.07028	0.9
170.09656	0.7
171.10236	0.2
175.03859	0.7
177.05453	0.3
193.05022	0.9
193.15831	0.3
199.07495	0.3
203.03352	0.7
207.06503	0.2
208.75235	0.2
223.07518	0.3
229.08629	1.3
250.13109	0.2
251.07050	0.2
255.06482	0.9
269.08078	1.5
297.07568	100.0
354.84317	0.2
406.17804	0.4
412.17563	0.2
450.19470	0.3
452.17773	0.3
459.12799	6.3
459.21436	3.2
478.21866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50375	2.4
57.07074	27.4
60.22297	3.0
71.08643	43.5
77.21102	2.9
85.10181	26.4
89.06039	73.9
93.07007	6.6
121.06511	85.7
133.08594	28.0
139.07207	3.2
147.08061	4.6
165.09081	24.6
177.11172	5.4
199.66872	3.3
209.11826	5.2
226.00558	4.2
247.20557	14.0
268.50839	3.1
291.23105	4.5
314.38712	3.6
315.18042	87.1
381.17365	3.3
441.32071	100.0
458.34451	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	459.129
Annotation	Daidzein 6''-O-acetate
Peak:m/z	Relative Intensity
54.86938	0.5
69.03428	0.8
70.06595	2.7
72.08164	5.5
73.30229	0.6
83.01357	0.6
84.08170	0.7
85.02868	0.9
86.09707	1.3
87.33346	0.6
91.64516	0.6
93.07117	0.5
95.04974	1.4
97.02870	1.2
102.64163	0.6
107.04963	54.8
109.02880	2.7
114.10278	0.9
121.02858	2.6
123.04436	1.5
133.02850	0.7
147.04440	1.1
147.16573	0.7
149.06004	1.4
163.03888	4.3
167.07082	1.1
170.09605	2.6
171.10359	0.8
177.01866	1.2
177.83929	0.7
185.05949	0.6
193.15852	1.4
195.02917	8.9
199.07504	0.7
200.62219	0.6
203.03375	3.4
206.11774	3.1
207.12164	2.9
209.94801	0.8
213.05489	2.4
217.04970	2.9
222.11354	0.9
223.07802	0.7
227.07008	2.7
236.12956	0.8
241.04854	0.8
245.04457	9.2
247.07426	0.7
255.06508	59.2
265.08621	1.0
269.08023	0.7
273.87366	0.6
293.08096	4.2
297.07550	10.6
309.07574	100.0
321.07571	3.9
323.09119	1.0
335.09094	16.7
339.08655	51.6
363.08630	41.1
375.08609	6.4
393.09637	23.9
405.09698	24.0
423.10806	8.0
441.11716	0.8
459.12595	1.7
459.18375	3.1
459.26309	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	458.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31557	0.4
53.67907	0.3
58.06597	0.5
78.54767	0.4
92.18456	0.4
144.06963	0.8
144.08095	25.4
145.08879	0.5
158.09630	0.8
170.09644	100.0
171.10419	27.3
201.13850	5.5
202.14651	22.5
202.16580	0.5
238.62927	0.4
245.85785	0.4
263.23346	0.4
330.69318	0.5
415.27081	1.6
441.24960	2.7
445.05478	0.5
458.27655	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	458.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37362	0.5
54.82259	0.5
55.05514	1.0
58.06597	0.5
65.83144	0.6
67.05489	2.4
68.05027	2.5
69.03443	1.2
69.07036	0.7
70.06598	14.2
71.05019	0.7
72.08167	11.0
73.02909	0.7
76.76502	0.6
79.05498	2.4
81.03422	3.6
81.07042	2.7
83.04990	0.9
84.04519	1.5
84.08149	2.6
85.02917	5.0
86.06069	1.0
86.09712	7.4
91.05480	1.3
93.07036	2.9
94.51808	0.6
95.06095	95.0
95.08594	1.5
97.06565	0.7
97.07648	8.0
98.06062	1.0
100.07613	1.4
105.07046	1.3
107.08615	2.3
109.07621	1.3
109.10143	0.7
110.07155	1.2
111.05592	0.9
113.07133	100.0
114.09171	0.8
114.10291	0.9
116.07099	1.1
119.08611	0.9
120.08070	0.8
121.10131	1.5
127.08703	1.4
129.10262	2.8
131.08566	0.7
133.07597	0.6
134.06352	4.3
135.09151	0.9
144.08086	2.7
145.10132	0.8
147.04518	0.6
147.11697	3.6
157.10063	0.7
170.09650	0.7
181.09732	0.7
184.07271	0.9
193.12259	1.5
229.15468	3.9
232.12851	0.9
263.17642	1.5
278.10568	2.4
279.17062	3.0
281.18665	4.2
287.17667	0.9
305.18555	6.7
319.20172	0.7
323.19647	67.3
337.21161	4.6
339.19168	0.8
355.22269	22.8
382.27014	38.8
396.28592	5.6
399.21024	0.8
414.29623	65.0
426.26028	19.0
440.26944	3.7
458.18027	1.4
458.29166	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	458.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08903	0.4
53.34622	0.4
57.03449	0.8
58.06599	2.0
65.83819	0.5
69.03416	0.6
69.07080	14.9
70.06586	1.1
72.08160	7.5
84.08141	2.1
84.19821	0.4
85.02912	1.1
86.09696	0.6
89.40744	0.5
97.02892	0.9
98.06065	0.5
100.07620	4.9
107.04967	18.2
111.11717	9.4
112.11247	2.3
115.03857	0.7
123.04425	10.7
127.03940	0.6
129.12772	9.1
136.07568	1.1
147.13812	5.0
149.05983	6.1
163.03888	0.8
164.07051	0.8
165.05475	16.7
178.08611	0.6
205.13333	0.6
206.11775	72.3
220.13315	5.0
222.11258	59.3
236.12857	4.0
241.31160	0.5
273.82434	0.5
277.19321	0.9
293.18616	1.2
309.19025	1.0
313.09225	0.5
344.07492	0.6
370.75677	0.5
440.25461	1.0
441.23993	0.8
458.26559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03325	1.6
53.41764	2.5
70.06231	4.2
70.06597	98.1
72.04510	9.6
72.08161	45.6
78.34799	2.0
84.04504	2.5
84.08153	13.7
85.02920	4.0
85.86808	2.9
85.89534	1.9
86.09706	16.9
88.04027	3.5
92.18453	2.6
99.08101	4.1
110.07156	5.3
112.08751	3.1
114.09180	91.4
116.07126	2.7
127.03956	3.2
127.08623	2.8
143.08270	3.1
149.08258	2.5
166.04335	9.1
188.11856	9.2
197.14000	12.0
201.12296	3.7
209.13913	2.6
213.08635	3.4
217.11852	27.1
223.15535	9.5
225.17145	9.8
230.11369	20.0
237.07538	2.7
237.17010	8.3
249.17043	8.1
251.15031	2.8
251.17476	4.8
262.16675	9.4
267.12656	4.5
268.12286	3.8
269.14285	16.3
279.12881	21.7
291.21838	3.6
296.15390	12.2
301.20181	10.8
303.21933	4.9
309.22821	2.7
312.18423	2.5
319.21191	7.8
335.18964	4.9
337.22342	10.9
340.14322	25.9
353.20010	3.6
356.17487	34.6
378.23145	3.3
399.20819	2.4
422.22299	35.0
440.23315	68.1
458.24570	100.0
458.30978	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	458.2289
Annotation	Tyr Ile Tyr
Peak:m/z	Relative Intensity
66.51385	0.4
69.07071	0.6
70.06248	0.4
70.06600	9.4
71.04998	14.4
71.06960	0.4
71.30195	0.4
72.08156	5.7
82.17548	0.4
84.04517	0.5
84.08146	1.8
85.02901	0.6
86.09723	4.1
88.04010	0.5
98.06076	0.5
110.07185	0.6
112.07619	0.6
114.10303	0.9
115.08689	0.5
116.07169	0.5
120.08115	0.4
129.10219	1.0
136.07602	0.7
138.97414	0.4
144.08102	0.7
147.04372	0.4
155.54208	0.5
163.03928	3.2
164.07097	0.5
170.09637	3.2
171.10011	3.9
172.10872	0.6
202.14771	0.5
203.14873	0.5
206.08165	0.6
215.13934	0.4
263.79333	0.4
270.38809	0.4
328.16705	1.7
338.08566	0.5
342.18002	3.0
356.16104	2.6
366.18173	0.7
370.17978	0.5
398.20859	1.0
424.73431	0.4
426.20291	8.9
458.22916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43135	0.8
55.95196	0.7
58.58519	0.7
72.92815	0.8
73.02908	1.9
91.05473	1.8
115.05457	4.9
119.08562	1.1
127.86643	0.8
131.04961	1.4
133.06438	1.0
137.06004	9.4
147.04446	2.2
147.08047	1.8
149.05933	0.8
161.05969	8.7
162.06760	6.3
170.09627	1.2
175.07547	3.6
189.05592	1.0
194.84557	0.9
195.06499	1.8
201.05403	1.4
207.06439	1.3
217.10107	6.2
231.07996	1.2
233.06018	1.2
234.06821	2.2
234.10448	1.1
245.09595	9.0
247.07520	2.0
249.09152	4.9
261.09149	3.7
262.06271	2.1
262.09802	8.3
265.08707	1.0
266.09521	0.9
272.08191	1.6
273.09064	3.8
274.09799	0.9
276.07831	5.5
277.08649	13.9
277.12262	5.7
279.10059	1.8
289.08575	1.4
290.06284	1.1
290.09436	7.9
291.10147	7.5
293.08115	3.7
294.08884	7.7
305.08121	5.1
305.11737	5.3
306.12375	2.0
307.09656	6.1
309.11179	14.2
321.07574	1.0
337.10861	1.2
338.07468	5.3
349.10666	5.5
354.10742	1.7
366.10977	13.1
369.13327	32.5
381.13342	68.9
399.14380	100.0
432.19409	1.1
458.21722	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
66.49338	0.6
68.50201	0.6
71.27409	0.6
81.21339	0.8
86.09681	0.7
86.14172	0.6
91.05499	0.7
91.29288	0.7
107.04979	1.4
109.06485	0.8
112.35843	0.6
115.05430	3.9
119.08554	1.3
122.19113	0.7
129.07027	1.0
131.04906	2.6
132.05617	1.0
133.06548	1.0
137.06006	11.0
143.04849	2.1
145.06529	1.0
146.03622	1.1
147.04387	1.2
147.08057	3.9
149.06029	1.2
161.05971	8.9
162.06723	5.2
175.07544	4.8
177.05508	1.0
179.07045	0.7
187.07634	1.2
189.05473	0.7
201.05536	0.8
202.07782	1.4
207.06532	1.1
216.09325	0.8
217.06631	1.0
217.10092	6.7
234.06738	2.8
234.10454	1.6
237.09210	0.9
244.08865	1.3
245.09647	7.4
246.10376	0.9
247.07457	1.2
248.08554	0.9
249.09068	5.1
251.06975	0.7
261.09158	2.9
262.06357	3.4
262.09912	7.2
263.06830	0.7
265.08511	1.3
265.12277	1.1
271.07489	0.9
273.09277	4.7
274.09894	0.9
275.06946	0.9
275.10608	1.2
276.07797	2.7
277.08624	13.1
277.12207	6.6
278.09702	0.8
279.06503	0.8
279.10068	2.8
281.08127	0.6
287.10532	0.8
289.08484	1.6
290.06122	1.2
290.09290	8.7
291.10226	9.0
293.08112	2.9
294.08859	5.8
303.09976	0.9
305.08112	5.3
305.11728	4.5
306.12460	1.4
307.09662	5.5
307.46964	0.8
309.11163	16.6
316.07648	0.7
321.07678	1.3
321.11255	1.5
336.09824	0.9
337.10617	2.7
349.10776	7.1
350.11404	1.3
354.10843	0.6
366.11060	13.8
369.13290	36.9
381.13330	69.2
399.14389	100.0
458.21741	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.368
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
69.07063	5.7
81.07070	8.9
81.61261	4.4
88.67916	4.2
93.07018	8.6
95.08595	6.9
99.50961	4.8
107.08583	21.3
109.10169	17.6
110.61927	4.4
119.08534	5.8
121.10117	22.6
123.11691	8.9
131.08501	5.6
133.10222	7.6
135.11647	8.0
147.11644	7.0
149.09651	9.1
155.40398	4.6
159.11623	5.4
175.14883	5.6
185.55788	4.2
191.18002	10.3
215.17946	6.4
232.08635	5.0
256.65674	4.5
317.02927	5.1
411.36227	28.2
457.35089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37508	1.2
58.26532	1.4
65.93894	1.2
66.10162	1.3
80.94127	1.4
86.09669	1.7
90.59017	1.4
91.05451	2.2
100.69744	1.6
108.08966	1.5
115.05490	3.4
119.08588	2.4
129.89218	1.5
131.04947	2.5
137.05998	8.8
143.04951	1.5
147.08093	1.7
161.06017	7.2
162.06798	7.2
163.03928	1.7
175.07568	2.3
217.10164	5.9
219.07791	1.6
245.09653	10.8
247.07533	1.9
249.09145	3.4
260.11639	1.6
262.06317	2.8
262.09918	9.3
273.09186	2.3
277.08655	16.7
277.11945	4.5
279.10016	2.3
290.09293	12.0
291.10236	8.4
294.08865	5.8
305.08200	2.7
305.11755	6.1
307.09644	6.0
309.11172	15.5
349.10785	6.7
366.10922	13.6
369.13397	35.1
381.13382	69.4
399.14432	100.0
458.21790	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19868	0.2
58.06604	0.7
64.99895	0.2
72.08145	0.2
88.02927	0.2
96.40379	0.2
97.92161	0.2
111.61980	0.2
144.08093	27.1
145.08875	1.0
158.09666	1.2
170.09648	100.0
171.10426	23.6
187.12335	0.4
201.12158	0.4
201.13858	4.6
202.14656	20.6
258.92062	0.2
298.85025	0.2
301.19058	1.9
367.50769	0.2
388.32281	0.2
457.23340	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94073	0.4
53.30279	0.3
58.06594	0.7
59.96300	0.3
60.32528	0.4
65.37936	0.3
66.36277	0.4
69.03399	0.5
70.06580	2.3
72.08160	3.8
85.02905	0.7
88.29505	0.5
88.57793	0.4
98.06013	0.5
114.09193	2.0
144.08092	25.7
145.08859	0.7
158.09676	2.5
163.03902	0.9
166.51857	0.4
170.09648	100.0
171.10425	26.9
201.13913	5.3
202.14655	24.5
257.16080	0.4
292.21896	0.6
301.19165	3.8
318.19916	1.6
335.20761	0.5
336.21182	3.1
368.33102	0.5
425.64554	0.6
457.23279	2.3
457.29221	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.6
66.07215	0.3
70.06600	3.6
72.08138	1.9
84.08127	0.6
87.47078	0.4
93.54128	0.3
103.35693	0.3
110.17567	0.4
114.10291	0.5
115.08654	0.4
144.08086	23.5
157.08994	0.4
158.09607	1.9
160.07599	0.6
163.03954	1.3
165.05511	0.4
170.09637	100.0
171.10413	30.3
177.05388	0.5
186.09097	1.7
187.09918	0.6
187.12296	0.7
201.13896	6.6
202.14644	22.5
236.12843	0.4
301.19138	4.4
439.09824	0.5
439.28415	0.6
457.18619	2.1
457.29184	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2334
Annotation	Vindoline
Peak:m/z	Relative Intensity
58.06602	0.6
84.96001	0.3
85.02910	0.3
92.17912	0.4
106.14645	0.3
106.86728	0.3
140.02986	0.3
144.08090	28.3
145.08861	1.6
158.09605	1.7
168.51506	0.2
170.09645	100.0
171.10425	26.9
187.12338	0.6
201.13879	4.9
202.14644	18.8
204.52443	0.3
212.82574	0.3
224.29562	0.3
457.23325	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82580	0.2
51.84443	0.2
57.62877	0.3
58.06588	0.4
86.06397	0.2
87.74809	0.2
115.05450	0.3
144.08092	26.5
145.08842	1.1
158.09633	1.2
159.10370	0.3
166.03017	0.3
170.09651	100.0
171.10426	25.1
187.12282	0.4
201.13875	4.0
202.14661	21.5
248.79758	0.3
279.34186	0.3
301.19009	1.7
301.62177	0.3
457.23352	68.6
460.05133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53337	2.5
53.95663	2.7
61.91471	2.9
63.71970	3.2
69.03419	7.5
69.07085	5.2
71.04958	3.1
84.04507	6.7
91.05465	4.3
93.07063	4.6
97.85277	2.9
99.04417	12.2
105.07042	37.8
109.10120	4.2
119.08593	47.7
119.45760	3.4
122.09676	20.2
128.06232	4.4
133.10135	63.2
135.08073	3.7
137.09714	3.3
138.85410	3.2
143.08615	7.3
147.08064	51.2
161.09618	100.0
163.11017	3.4
165.09137	14.8
173.13271	4.6
187.12349	7.6
188.10771	3.9
189.09123	6.2
205.13412	31.9
207.10219	29.4
220.95230	3.2
233.12828	61.2
251.13860	4.4
264.49597	3.7
264.83707	3.3
409.78650	3.5
457.23468	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.5
68.19019	0.2
72.08156	0.3
81.93467	0.3
92.18462	0.3
97.61304	0.3
144.08086	26.2
145.08887	1.1
147.08066	0.3
150.84178	0.3
158.09633	1.5
170.09642	100.0
171.10420	24.0
186.11653	0.4
187.12277	0.6
201.13864	4.2
202.14642	20.4
205.14291	0.3
267.85791	0.4
457.23355	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03215	0.3
57.03457	0.4
60.05661	0.3
60.95497	0.3
61.02925	0.5
66.34314	0.3
69.03429	1.7
70.06590	1.3
71.70500	0.3
72.08163	12.1
73.64066	0.4
84.08150	0.8
85.02911	4.5
87.04469	0.5
88.03957	0.3
89.10770	0.3
91.03983	0.5
97.02891	1.7
97.07651	1.4
98.06062	1.2
99.04478	0.5
100.08747	0.5
109.02848	0.4
114.10300	23.0
115.08701	14.2
123.04411	5.2
127.03905	1.8
129.10292	0.4
131.12953	0.3
141.13487	0.3
145.04959	0.4
156.11383	0.7
163.03880	0.6
165.05478	8.3
196.28290	0.4
222.11307	0.4
235.12056	0.7
235.14418	22.4
236.12814	42.7
253.15511	2.6
278.11972	0.8
278.15012	22.7
294.16757	1.5
295.17670	37.1
320.16022	0.4
335.83942	0.3
379.91202	0.4
457.22983	100.0
463.29944	0.4
466.73700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17928	0.2
55.05516	0.2
57.03445	0.2
57.76936	0.2
60.05650	0.3
61.02920	1.0
65.54408	0.2
67.25350	0.2
69.03423	1.7
70.06578	0.5
72.08160	11.2
73.02927	0.3
73.04032	0.4
81.03431	0.5
85.02915	5.1
87.04474	1.0
90.21774	0.2
97.02890	2.3
97.07655	2.3
98.06039	0.6
98.99555	0.2
99.04443	0.4
100.76566	0.2
103.89503	0.2
109.02841	0.5
113.10727	0.3
114.10297	20.5
115.08699	11.8
123.04422	6.0
127.03905	1.5
145.04938	1.0
156.11327	0.6
165.05473	8.5
194.08174	0.4
235.12376	0.5
235.14406	20.9
236.12811	41.3
253.15501	3.2
261.12308	0.4
278.15018	22.5
294.16901	1.1
295.17648	24.6
320.16125	0.6
324.66443	0.3
398.18393	0.3
457.22952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73319	0.3
55.05557	0.7
58.06628	0.5
60.05670	0.9
60.21081	0.4
62.23815	0.4
69.92874	0.4
70.06593	4.6
72.08159	25.0
83.13258	0.4
89.10796	0.6
91.05482	12.6
92.17790	0.5
93.84169	0.5
97.07648	5.9
97.08162	0.4
98.06087	2.6
105.03395	4.3
114.10293	27.1
115.08681	4.3
119.04942	5.4
119.05556	0.4
123.04446	1.7
129.07033	0.5
131.12991	0.5
140.08180	0.6
144.08081	25.9
145.08905	1.0
147.41432	0.4
158.09636	0.8
163.03900	1.9
165.05466	19.5
165.06857	0.7
167.08580	1.9
170.09637	100.0
171.10416	25.3
177.05478	0.9
201.13882	3.9
202.14653	22.2
211.07506	5.6
213.09081	1.0
219.07994	1.8
223.07571	0.9
225.09041	0.9
236.12656	0.9
237.09082	13.6
239.06923	0.5
241.08542	1.0
244.81133	0.4
247.07454	0.6
252.10135	0.5
253.08475	2.1
255.09901	0.6
264.10040	0.6
265.08493	2.7
267.06451	1.8
283.09549	1.8
294.16675	0.9
301.18967	0.9
323.17554	4.7
324.15878	3.7
349.15076	2.2
353.18277	2.7
354.17093	3.5
366.17892	2.4
380.14670	0.7
396.19138	0.4
398.15619	2.2
401.01651	0.5
411.20023	0.8
413.21576	0.7
440.17859	0.6
457.21011	85.9
457.32895	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
57.03448	0.8
60.05631	0.5
65.84724	0.5
67.05503	2.5
67.05841	0.5
69.03436	0.6
70.06599	6.0
72.08162	30.6
73.02903	1.0
74.90446	0.5
77.74200	0.5
84.08137	2.4
85.02899	2.1
86.09665	0.7
87.19096	0.5
97.02898	0.9
97.07655	5.2
100.08759	0.7
103.17769	0.6
109.10151	2.7
110.10453	1.9
114.09168	2.1
114.10294	27.5
115.08685	5.6
121.02870	2.6
123.04443	1.3
127.11179	0.9
128.11583	0.7
131.12967	0.8
145.04877	0.7
146.02684	0.6
163.03912	25.5
163.05956	0.7
165.05472	2.4
167.90868	0.6
175.03905	6.7
207.02977	0.7
217.04945	9.6
220.09721	0.7
224.98943	0.6
225.05440	1.8
229.05063	0.7
234.07558	2.2
235.14442	0.6
236.12860	2.4
243.06548	3.5
285.04575	1.1
285.07593	14.4
287.13940	2.2
288.12265	12.4
294.05246	2.3
295.06079	5.3
307.05994	6.2
308.06833	3.2
309.07486	2.3
313.07111	0.7
319.06073	0.8
322.08374	2.2
325.07068	24.0
327.08542	3.2
337.07040	14.0
351.08658	9.3
365.10196	3.0
367.08163	2.7
375.08615	0.8
379.08191	11.7
391.08051	2.6
397.17563	5.7
398.16019	17.0
402.16901	0.6
403.08188	3.3
409.08984	4.0
421.09320	2.6
439.10123	5.3
440.18140	3.6
457.11182	28.8
457.20828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.3
55.01887	0.4
55.05508	1.4
57.03442	0.5
57.73922	0.3
63.03665	0.5
66.05318	0.3
67.05485	0.3
69.03436	5.8
69.07080	0.8
70.06586	2.2
71.04961	0.3
72.08165	3.1
77.81744	0.3
79.05489	0.6
81.03431	4.6
81.07084	2.4
82.07393	0.5
83.05012	1.3
84.08163	0.6
85.02912	8.5
87.00813	2.4
89.76191	0.3
93.07052	1.6
95.04979	1.4
95.08616	3.8
97.02886	3.2
99.04465	2.5
99.08101	2.6
105.01868	1.8
105.07015	0.6
107.08607	6.4
109.02883	4.3
109.06529	1.3
109.10149	1.8
109.78324	0.3
111.08089	0.5
114.10287	1.6
119.08619	0.6
119.70054	0.3
121.10139	5.3
123.08060	0.5
125.09647	1.9
127.03922	7.3
129.01836	0.5
131.04936	0.6
131.08565	0.6
133.10135	2.3
135.08040	5.0
135.11626	0.5
137.09641	4.9
137.13261	1.6
138.13579	1.7
145.05013	1.3
145.10168	0.4
147.04402	1.4
147.11679	1.6
149.09628	100.0
149.13216	5.0
150.05498	0.7
151.11168	7.7
153.09103	0.6
159.02892	2.2
163.03905	0.8
163.14848	1.8
165.12740	4.0
173.13211	3.0
173.15395	0.4
187.06052	0.5
190.78346	0.3
191.14302	15.3
204.10263	0.6
205.10483	0.7
209.15378	54.7
215.13988	0.4
222.11183	0.4
226.05316	0.3
231.04953	0.5
457.20358	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	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52085	0.6
52.01336	0.5
53.03971	0.9
55.01875	1.2
57.03426	0.8
67.05509	0.8
68.74609	0.6
69.03423	8.3
69.07064	1.3
72.08168	1.0
73.02922	1.5
75.99980	0.6
77.58044	0.7
81.03427	7.6
81.07049	1.5
83.01810	0.7
83.04982	1.3
85.02911	13.4
87.00825	5.7
87.04452	0.7
91.05504	0.7
93.07030	1.1
95.04983	0.9
95.08595	1.4
97.02874	1.7
97.06521	1.1
99.04465	2.5
105.01878	4.3
107.08595	6.7
109.02878	7.5
109.06506	5.5
109.10168	3.1
114.10265	0.8
121.10148	8.9
123.08035	1.2
123.11746	1.0
126.15878	0.6
127.03920	11.1
131.08568	1.1
133.10133	16.3
135.08046	3.4
137.09627	19.8
145.04991	3.4
147.04362	0.9
147.11673	1.2
149.09642	7.0
149.13269	9.4
151.11194	52.9
159.02885	4.1
165.12750	43.6
170.09671	1.3
173.13269	4.7
178.46582	0.7
191.14301	13.0
193.15880	6.3
209.15376	100.0
231.05000	1.0
242.11739	7.3
259.14386	5.8
260.14813	10.5
279.51764	0.7
365.18500	3.5
382.20984	1.3
383.21564	14.3
427.20331	1.4
457.21472	20.3
474.17172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14522	0.4
55.05506	0.6
69.03429	6.1
69.07071	0.9
74.41836	0.5
79.05492	2.6
81.07068	4.4
82.49938	0.5
83.04980	2.0
83.08602	0.6
85.02901	3.2
87.00840	1.0
91.05465	1.1
93.07048	2.0
95.04964	0.5
95.08601	0.7
97.02871	1.3
98.82672	0.5
105.01859	0.7
105.07023	0.9
107.04954	2.6
107.07887	0.7
107.08595	17.3
109.02905	1.0
109.06521	3.3
109.10160	3.2
117.07084	0.6
119.08586	0.6
121.06518	0.8
121.10128	9.9
122.07293	1.0
123.08047	0.7
127.03904	2.8
131.08568	0.9
133.10132	100.0
135.07117	0.7
135.08055	8.0
135.11768	0.5
137.09622	61.6
139.11066	0.5
144.08092	0.6
145.04980	0.6
147.11684	2.9
149.09625	2.5
149.13248	11.4
158.10930	0.8
163.14766	2.6
170.09688	2.4
173.13264	6.4
189.12779	0.7
191.14304	63.3
191.64754	0.5
209.15387	9.5
285.72656	0.5
421.18509	1.2
439.19553	1.1
457.22809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25116	1.1
72.08144	5.8
76.73662	1.3
86.09699	5.3
89.57482	1.4
91.05472	1.2
98.06036	2.4
100.07614	1.9
115.08681	4.9
119.04979	4.7
121.10109	1.9
133.02856	2.6
136.32445	1.1
137.05951	7.7
145.02814	4.3
147.04398	9.6
151.03909	10.9
160.07492	1.4
161.02324	7.9
163.03920	10.2
164.04649	2.9
165.09128	2.5
167.07050	6.2
173.02319	9.1
175.03876	17.9
176.04674	39.4
177.05478	44.0
177.06935	1.5
186.09131	2.5
187.03873	1.7
191.03398	9.6
195.06557	12.9
205.04858	1.4
208.07301	11.8
221.05969	2.9
223.06003	1.5
249.05447	9.6
253.08647	1.7
263.06866	1.2
266.05933	1.2
267.06415	1.9
277.04935	11.4
281.08200	8.8
294.05246	7.7
305.04376	1.7
309.07556	26.5
319.06067	1.4
337.07065	100.0
369.09723	57.7
423.98853	1.1
437.30255	1.2
440.17136	8.8
457.19644	91.8
457.24701	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	457.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
55.30289	0.3
58.62987	0.2
63.16703	0.2
65.89740	0.2
70.06603	0.9
72.08160	2.4
72.29949	0.2
81.07091	0.3
83.80765	0.3
84.04515	0.2
86.09680	0.3
95.49952	0.3
98.06059	2.5
98.74689	0.2
105.21206	0.3
108.15755	0.2
114.09177	0.4
115.08702	3.8
119.08543	0.3
121.17451	0.3
133.10138	1.0
137.09593	0.4
151.03891	1.1
151.11188	0.3
161.02310	0.4
161.87056	0.3
163.99220	0.2
167.07060	0.3
170.09578	0.4
173.13286	0.3
177.05421	1.2
186.09102	0.3
191.14326	0.5
209.15446	0.5
221.05971	1.1
233.76849	0.2
235.07521	0.3
249.05441	3.5
250.06293	0.5
253.08508	1.1
263.07019	1.1
266.05820	1.4
276.03989	0.3
277.04910	2.9
278.05704	2.3
281.08096	3.1
291.06552	3.4
293.08078	10.6
294.05246	8.8
304.03723	0.3
305.04437	1.5
309.07593	39.3
319.05997	1.9
322.04681	0.6
334.98761	0.3
337.07071	100.0
364.37643	0.3
369.09775	0.5
379.23407	0.3
413.80905	0.3
440.17105	2.4
457.19705	33.0
457.25363	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.3
67.14070	0.3
71.39221	0.2
71.89655	0.3
71.92733	0.3
72.08161	2.1
76.87825	0.3
89.10738	0.3
89.34894	0.3
90.21866	0.3
98.00526	0.3
98.06013	1.8
115.08674	3.1
128.58578	0.3
142.40465	0.3
163.03870	0.4
170.09608	0.5
171.10124	0.4
177.05484	0.5
180.07797	0.6
194.41306	0.3
201.05437	0.4
221.06033	0.5
221.08467	0.3
238.06227	0.4
249.05502	2.9
250.06332	0.3
253.08733	1.1
263.06866	2.1
266.05664	0.6
277.05075	2.6
278.05780	2.4
281.08142	3.2
291.06516	3.2
293.08102	7.6
294.05206	7.5
305.04492	1.4
309.07571	37.6
319.05975	2.2
322.04834	1.2
337.07056	100.0
351.08737	0.5
369.09924	1.2
440.17099	2.1
457.19675	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	457.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26698	1.2
51.84587	1.6
51.94411	1.4
54.93560	1.1
56.86662	1.2
69.07088	1.6
72.08154	7.7
79.05496	1.6
81.07073	2.1
86.09716	2.5
87.12575	1.4
88.11271	2.6
91.05469	2.3
92.39188	1.6
93.07024	3.4
95.04972	1.9
95.08586	2.7
97.06498	1.8
98.06010	1.8
105.07057	2.5
107.08617	1.7
108.68964	1.4
109.06519	2.5
109.10107	1.4
115.01346	1.4
115.08689	1.6
119.05010	2.6
121.06507	5.8
121.10066	2.2
123.07981	1.4
123.95896	1.3
126.38525	1.4
131.08600	3.2
133.02824	6.4
133.10110	2.8
135.08044	1.8
137.05994	16.3
143.08560	1.4
144.08093	1.5
145.02853	7.6
147.04381	12.0
148.05229	1.9
149.09644	3.1
150.73912	1.3
151.03935	6.0
159.08038	2.9
160.07590	5.9
161.02325	10.9
163.03899	18.4
164.04703	13.1
165.09142	2.3
167.07028	15.2
170.09682	1.7
173.02338	14.9
175.03947	16.1
176.04706	22.6
177.05495	41.0
177.09021	2.1
186.09155	17.4
187.09888	5.2
187.14685	1.9
191.03453	19.0
195.06540	30.3
200.12738	5.0
201.05457	1.6
208.07307	20.3
217.15520	7.8
221.06071	2.3
223.06004	2.9
249.05440	18.1
253.08678	1.8
263.07053	2.4
267.06491	2.4
277.04990	25.4
281.08167	13.3
294.05170	13.2
305.04431	5.9
309.07556	31.8
337.07062	88.9
369.09695	70.1
415.32187	1.6
440.17273	8.1
457.19748	100.0
457.25827	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	457.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08453	1.2
66.86771	1.2
70.06597	1.7
84.04497	2.5
85.06577	1.3
86.09715	1.9
91.05478	6.3
93.07079	1.6
97.06548	1.7
105.07029	15.0
107.08636	2.7
119.04936	25.3
121.10126	2.0
122.09670	11.4
125.39416	1.6
131.08592	1.7
133.10158	3.5
137.09641	1.9
144.08063	2.0
147.04422	30.6
149.09625	6.8
151.03940	2.3
157.04015	2.3
161.09634	1.6
165.09068	2.3
168.32893	1.3
170.09656	6.1
171.10300	1.8
175.03914	80.7
186.09132	1.9
187.12360	2.0
191.14265	3.2
199.14580	1.5
205.13414	7.6
207.06529	100.0
233.12830	15.8
234.11232	6.0
251.14005	13.7
293.08136	5.6
294.05164	3.3
309.07587	20.7
337.07031	57.0
348.19153	1.8
400.02069	1.7
457.19666	26.4
457.24680	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	457.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08453	1.2
66.86771	1.2
70.06597	1.7
84.04497	2.5
85.06577	1.3
86.09715	1.9
91.05478	6.3
93.07079	1.6
97.06548	1.7
105.07029	15.0
107.08636	2.7
119.04936	25.3
121.10126	2.0
122.09670	11.4
125.39416	1.6
131.08592	1.7
133.10158	3.5
137.09641	1.9
144.08063	2.0
147.04422	30.6
149.09625	6.8
151.03940	2.3
157.04015	2.3
161.09634	1.6
165.09068	2.3
168.32893	1.3
170.09656	6.1
171.10300	1.8
175.03914	80.7
186.09132	1.9
187.12360	2.0
191.14265	3.2
199.14580	1.5
205.13414	7.6
207.06529	100.0
233.12830	15.8
234.11232	6.0
251.14005	13.7
293.08136	5.6
294.05164	3.3
309.07587	20.7
337.07031	57.0
348.19153	1.8
400.02069	1.7
457.19666	26.4
457.24680	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	456.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09964	1.6
57.07083	20.3
63.13901	1.7
69.07058	2.4
71.08649	26.0
77.31206	1.7
78.53197	1.7
85.22901	2.1
87.04470	2.8
89.06036	100.0
100.09425	2.2
107.98922	1.9
133.08606	30.1
177.11227	9.6
186.09146	7.9
226.11128	2.0
239.77663	2.1
283.17587	2.3
295.21423	2.0
297.46423	1.8
327.20135	33.6
439.26904	3.5
439.32678	61.2
456.29602	10.6
456.35269	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.8
75.54602	0.4
82.07416	0.4
84.63160	0.4
93.71851	0.5
108.95461	0.4
134.73962	0.4
134.80684	0.5
135.62286	0.5
160.07578	36.0
170.09631	0.7
174.09125	1.1
179.23817	0.5
186.09142	100.0
187.08215	1.0
187.09924	30.1
196.60341	0.4
202.10997	0.9
217.13391	5.5
218.14140	20.5
237.35057	0.5
261.13809	0.5
456.28592	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11006	0.5
60.68719	0.6
60.74561	0.5
69.07063	4.8
71.89366	0.6
74.94563	0.5
79.05499	0.7
80.40797	0.5
84.08135	0.7
86.09708	67.9
86.87608	0.5
89.22330	0.5
97.06532	100.0
105.06982	0.5
110.71262	0.6
114.09143	2.4
134.06035	1.3
136.07590	4.3
154.08598	2.4
160.07567	2.3
164.14339	1.0
180.13847	0.8
182.15373	7.3
202.12271	20.7
208.13313	19.2
210.14925	9.3
229.13353	1.2
249.15976	20.5
315.20654	3.8
321.21756	7.4
343.20410	4.3
360.22919	0.8
456.28568	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34775	1.2
52.53589	0.9
53.98828	1.1
67.21809	1.0
69.07050	6.7
83.24841	1.1
84.08131	5.0
85.04009	1.9
86.09710	100.0
90.18792	1.2
92.00807	1.3
97.06532	30.4
104.52353	1.2
113.10771	7.4
119.07314	2.0
126.12791	1.5
134.06044	12.7
136.07596	4.9
138.09120	1.5
141.10223	5.1
180.13759	1.7
182.15379	2.0
190.12251	13.1
200.10693	8.4
202.12273	26.3
208.13344	12.3
208.97096	1.4
210.14816	1.6
212.10620	1.7
213.19249	1.2
222.34070	1.4
229.13391	5.7
230.11816	4.6
249.15889	11.9
321.21786	11.9
333.22635	1.5
343.20114	8.5
358.21317	1.6
428.28970	4.7
456.28552	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01871	1.4
62.17349	1.3
69.07076	19.6
84.08145	10.3
86.09711	90.0
86.67458	1.3
91.05426	1.3
97.06535	100.0
97.09984	1.4
104.69322	1.6
110.06056	1.7
119.04914	1.6
124.07543	1.8
136.07590	52.7
138.05502	2.2
138.09152	7.2
152.14368	8.7
180.13795	10.7
190.08771	1.6
197.16522	9.3
208.13333	51.8
220.80936	1.6
232.13383	2.2
249.15996	24.6
321.21732	3.4
326.87137	1.5
456.28589	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15570	0.6
58.06588	1.1
62.04445	0.5
69.83982	0.5
70.06593	1.3
72.08159	7.7
84.08149	1.3
91.05493	1.1
112.11243	6.6
115.44391	0.7
119.04942	6.4
123.04419	3.7
129.13876	3.5
136.21408	0.5
147.04416	90.4
155.11868	0.9
163.03932	2.2
165.05513	4.8
166.25362	0.5
183.19463	0.8
204.10202	66.0
220.09668	0.8
222.11221	0.5
224.57784	0.5
236.12816	12.5
253.15616	1.1
293.18570	13.5
310.21268	19.8
316.34875	0.6
390.99881	0.7
456.24976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
57.03447	4.5
61.02926	0.8
67.05516	1.9
69.03439	5.0
69.07063	2.2
70.06614	4.2
71.01342	0.5
71.04995	1.7
72.08154	2.7
73.02934	9.6
79.80898	0.4
81.03442	0.5
81.69976	0.5
83.08626	5.8
84.08140	0.6
85.02917	7.3
86.09727	0.5
87.04472	0.8
92.60206	0.4
95.08611	0.8
97.02906	10.1
99.04421	0.4
100.02242	0.6
102.39417	0.5
109.02872	0.6
109.10164	45.0
109.36768	0.4
115.03941	5.6
127.03930	2.3
127.11203	100.0
133.04939	0.6
145.04970	1.1
145.12247	24.9
146.02740	2.8
161.09671	0.7
163.03946	2.0
164.03798	0.6
186.83861	0.4
205.27693	0.4
207.13872	0.8
220.09735	0.5
294.07971	0.7
310.28336	0.5
456.21869	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3161
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
55.05519	2.2
67.05508	4.0
69.07068	3.3
73.21937	1.8
79.05503	3.7
81.07061	17.4
83.08642	3.2
91.05475	3.0
92.18557	2.3
93.07049	17.0
95.04946	2.7
95.08621	40.5
97.10163	2.9
98.58156	1.6
99.08110	2.2
105.07036	23.7
107.08614	28.8
109.06495	3.7
109.10177	15.1
111.08082	6.9
117.06986	3.0
119.08591	44.8
121.06501	7.8
121.10147	24.1
123.08108	3.4
123.11726	2.2
125.09646	3.6
131.08577	19.2
133.10136	34.5
135.08080	6.9
135.11693	17.8
143.08559	4.2
143.81668	1.7
145.10121	37.3
147.08101	4.2
147.11685	23.3
149.09612	3.7
149.13235	12.4
157.10098	12.2
159.11690	25.9
161.09631	4.0
161.13240	22.4
163.11150	6.6
163.14833	16.5
169.10086	2.5
171.11700	8.1
173.13274	33.3
175.11189	3.1
175.14792	32.6
177.16405	4.3
183.11696	7.1
185.13214	16.9
187.14815	58.4
189.11182	2.2
189.12769	7.6
189.16409	20.4
191.14363	9.8
197.13231	2.8
199.14809	12.6
201.12967	2.4
201.16386	35.0
203.14330	11.1
211.09370	2.2
211.14851	3.4
213.16418	4.0
215.14294	2.2
217.15929	3.2
219.17522	1.9
221.15372	3.4
225.16345	2.1
227.17944	2.6
241.19379	3.4
245.15430	2.4
247.10458	2.0
247.16866	2.5
370.03595	2.1
373.29071	3.0
383.25186	2.1
391.30045	15.1
409.31070	23.4
419.29584	7.8
437.30475	16.6
455.22473	74.4
455.31570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2257
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
55.05510	0.7
67.05489	0.8
67.09447	0.5
67.19109	0.5
70.00293	0.5
73.98708	0.5
77.62776	0.5
81.07088	0.6
83.08609	0.8
93.07017	0.8
97.10157	4.7
104.58392	0.5
107.08587	0.9
108.77800	0.5
119.08599	0.6
125.09626	6.2
130.38196	0.5
140.20653	0.6
151.90796	0.5
158.04234	0.5
161.05949	0.5
171.10255	1.9
189.11172	3.5
211.09422	7.0
229.09183	1.1
245.13783	2.4
247.10233	0.5
267.12073	4.3
285.11841	0.5
312.81122	0.6
455.22491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66156	0.7
58.06596	1.8
64.21561	0.8
67.05523	0.9
69.07083	1.1
81.07044	1.0
81.30080	1.0
105.07030	1.0
123.11791	1.0
127.17116	0.9
158.09740	1.1
166.86572	0.9
167.35651	0.9
170.09677	5.2
171.11716	1.2
186.09087	1.4
227.10838	0.8
231.69368	0.9
237.12643	0.9
238.13046	1.2
289.16864	1.0
297.09860	1.6
311.15253	3.5
312.12299	54.1
324.12329	23.8
326.14056	1.3
338.13870	75.5
339.14670	13.6
354.15698	1.3
369.18048	8.4
370.18835	17.1
455.25470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22398	0.6
60.05663	0.7
70.06582	1.0
71.93600	0.6
72.08165	10.0
85.02916	2.6
89.10802	1.1
97.02875	1.4
98.06098	0.8
114.10294	31.4
115.08693	4.9
119.02505	0.6
122.96870	0.7
131.12926	6.2
135.04456	0.9
145.02879	2.7
157.10799	1.1
163.03900	87.6
165.05492	0.7
233.12918	7.5
234.11258	6.6
265.07391	0.9
276.13461	11.4
293.16083	24.6
294.16956	3.9
321.15588	1.1
323.84305	0.9
359.16043	1.3
437.19843	1.3
449.98926	0.7
455.21359	100.0
458.40488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2258
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
68.82082	1.4
88.34425	1.3
88.87763	1.6
90.86559	1.4
92.17822	3.6
94.22565	1.5
103.05455	3.7
105.73115	1.8
108.45553	1.8
119.06852	1.6
131.04926	45.7
133.06459	3.8
137.05977	12.9
147.04398	2.0
154.56592	1.5
161.05994	11.3
163.07542	17.0
179.07007	1.9
229.09253	2.5
285.11777	2.5
395.15021	2.2
455.16891	6.4
455.22479	100.0
461.74448	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	455.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09209	0.4
60.05646	3.0
61.95637	0.4
62.34210	0.4
63.28902	0.4
63.59103	0.4
69.03430	1.7
69.08818	0.4
70.06579	2.1
72.08163	10.1
81.03410	0.5
85.02909	6.6
89.10793	1.1
92.48983	0.4
97.02893	1.0
97.07656	1.1
98.06061	0.6
109.02858	0.7
114.10293	39.6
115.08704	4.5
127.03900	1.8
131.12933	7.2
135.04422	2.0
145.02844	2.0
145.04924	0.8
156.11423	0.5
157.10788	1.0
163.03906	77.9
164.07115	1.1
180.06599	0.8
233.12833	8.5
234.11253	14.3
248.13927	0.6
251.13858	0.9
276.13443	12.9
276.34973	0.5
293.16095	24.6
348.64124	0.5
398.61621	0.5
417.68439	0.5
455.21396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05879	0.4
60.05631	0.5
69.03426	0.5
69.59755	0.5
71.04937	0.5
72.08163	4.8
72.23560	0.5
74.50372	0.5
75.66833	0.4
76.88209	0.5
85.02905	4.6
88.30158	0.5
93.85616	0.5
97.02905	1.1
111.90356	0.5
114.10281	12.5
115.08678	2.5
127.03920	2.5
131.12935	4.7
131.96107	0.5
135.04408	2.0
145.02846	2.2
145.04935	1.2
147.04388	0.6
160.07547	1.0
163.03894	100.0
183.97906	0.6
186.09077	2.3
187.09576	1.2
233.12798	4.4
234.11267	3.3
236.55348	0.6
276.13446	4.4
282.08319	0.6
292.15244	0.8
293.16064	8.2
455.21255	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	455.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61898	0.4
60.05645	1.1
61.02951	0.5
62.39888	0.5
66.10082	0.4
69.03426	1.1
72.08157	1.2
77.27356	0.5
82.92172	0.5
85.02931	4.3
97.02882	1.3
97.07671	0.8
97.32338	0.5
102.84623	0.6
104.69128	0.5
109.91028	0.6
114.10300	11.7
115.08658	1.0
127.03912	1.9
131.12952	4.1
135.04401	0.6
145.02820	2.4
145.04988	1.2
151.87975	0.6
157.10883	0.6
163.03906	88.8
210.59779	0.5
233.12881	3.5
234.11206	5.0
276.13419	3.6
293.16171	6.5
455.21381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19398	0.3
58.75529	0.3
60.05645	0.8
72.08168	3.7
73.04024	0.5
75.52542	0.3
85.02877	0.6
89.10797	0.6
97.02827	0.3
97.07648	1.3
98.06046	0.5
114.10293	19.7
115.08675	4.0
117.03400	0.4
126.80470	0.3
127.03887	0.7
131.12930	3.2
135.04413	1.5
145.02859	2.0
157.10849	0.8
163.03900	100.0
208.25180	0.4
233.12880	6.6
234.11246	7.3
247.04013	0.3
251.14085	0.3
276.13431	9.1
276.16245	0.6
292.15259	0.4
293.16071	15.8
397.35754	0.4
455.21378	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33495	0.4
63.92187	0.4
67.05492	0.3
69.03450	4.0
70.06580	1.9
71.05009	0.8
72.08159	7.1
81.03422	2.3
84.08152	0.6
85.02916	6.6
87.04434	0.5
89.03911	0.6
89.10786	1.1
95.52075	0.4
97.02902	11.8
98.06091	0.5
99.04465	3.4
109.02895	10.0
114.09179	0.6
114.10303	1.9
115.08680	1.0
117.03357	0.7
127.03931	9.2
135.04381	3.1
145.02864	6.5
145.04941	6.9
147.04431	0.8
163.03903	100.0
187.06041	0.5
205.07077	2.8
234.11238	3.7
243.54657	0.5
248.02242	0.5
251.13824	3.7
272.34192	0.5
288.50943	0.5
293.16107	2.1
341.56149	0.4
350.06052	0.6
438.17770	0.5
455.07300	0.9
455.20523	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.202
Annotation	3'-O-Methyl-5'-hydroxydiplacone
Peak:m/z	Relative Intensity
51.35946	0.3
61.02900	0.3
69.03421	0.5
70.06599	2.9
72.08157	18.1
81.03431	0.7
84.08140	0.6
85.02911	0.5
89.03921	0.7
96.04477	0.6
98.06056	0.5
103.43664	0.3
103.88885	0.3
109.02869	1.9
114.09142	0.5
114.10284	1.8
115.08678	0.6
117.03372	3.0
123.04393	0.4
127.03874	0.8
131.12988	0.4
145.02847	37.2
147.04422	0.6
149.05968	2.0
149.57318	0.3
149.58672	0.4
150.09137	10.8
157.10889	0.4
163.03891	5.1
167.11787	7.3
177.05461	100.0
193.09770	0.3
194.08138	9.9
211.10880	3.3
212.09149	0.5
225.03621	0.4
226.10774	6.8
229.12183	0.4
234.11314	0.4
243.13396	0.7
244.11763	5.9
248.12781	2.8
261.14514	0.4
262.12842	1.4
265.15582	0.4
279.15582	0.4
294.16931	0.9
325.08548	0.4
343.16461	14.5
351.48825	0.4
360.72290	0.4
387.15546	6.0
396.16013	0.4
419.18326	0.4
437.19016	2.5
455.20306	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	455.1531
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
51.14431	0.5
92.18443	0.7
93.07040	7.0
101.00908	2.5
119.01898	4.7
121.10142	3.2
141.16113	0.6
143.01894	5.1
149.09526	0.9
157.03491	1.0
161.02989	3.8
168.99803	1.2
187.00867	5.0
207.10031	0.8
223.11795	0.9
229.01906	1.0
243.04768	0.7
245.06367	2.4
267.10794	1.2
271.04041	0.7
283.39621	0.6
289.05194	3.8
309.11798	0.8
335.09760	0.9
369.14969	0.7
401.08350	0.6
411.16327	7.9
455.15253	100.0
455.20645	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	455.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45140	0.7
53.03944	1.3
55.01889	1.5
55.05522	2.2
57.03438	1.8
57.07077	1.9
59.04984	1.0
60.05634	1.1
60.37014	0.8
64.77985	0.9
65.03939	0.8
67.05505	13.2
68.99773	1.0
69.03439	12.4
69.07060	4.9
70.06589	5.4
71.04976	1.3
72.08156	9.7
73.02933	1.0
79.05514	1.0
79.41171	0.8
81.03424	10.5
81.07080	2.1
83.04996	7.9
84.04534	1.0
85.02921	13.1
85.06545	12.5
86.09745	1.1
87.00821	7.0
91.05479	6.4
93.07043	7.2
95.04941	2.2
95.08611	84.8
96.08157	6.5
97.02896	7.9
97.06530	1.2
97.08470	1.1
99.04449	5.1
100.07622	4.2
103.03944	0.9
105.01875	4.4
105.07025	9.8
107.08601	13.1
109.02882	13.7
109.06518	5.9
109.10146	4.4
111.04446	1.1
113.06009	9.8
113.10767	4.2
114.09164	21.3
114.10308	7.9
115.03932	1.1
115.08743	3.2
115.09515	10.2
116.09789	1.8
119.04932	4.7
119.08578	18.0
121.06520	5.9
121.10156	11.8
123.08070	33.7
127.03933	17.5
129.07048	1.0
131.08588	4.0
131.12917	1.8
133.06468	1.6
133.10133	8.3
135.04407	1.1
135.08087	7.0
135.11710	16.5
137.09689	7.5
142.82901	1.1
145.04930	1.5
145.10133	5.9
147.04451	8.0
147.08064	6.7
147.11703	13.3
148.04710	1.6
149.06017	1.1
149.09627	60.0
151.07549	5.4
151.11208	2.1
151.14822	3.6
153.05457	3.8
156.09415	1.7
156.14613	1.1
159.02838	1.6
159.08084	2.2
159.11685	0.9
160.08791	0.9
161.06059	1.3
161.09605	5.0
161.13283	15.1
162.05498	1.0
163.03908	17.9
163.11172	13.6
165.09135	1.7
165.12741	6.0
169.04974	1.2
171.08055	1.0
171.11682	7.6
173.09558	1.2
174.10405	9.6
175.11179	1.8
179.14304	2.3
187.11224	1.3
189.06367	1.0
189.12775	42.7
191.14302	28.5
203.14410	0.9
204.10196	1.3
205.10576	2.2
207.13811	100.0
209.16483	11.1
210.16844	9.3
211.07550	1.2
211.17159	4.6
219.07996	1.3
226.19075	1.9
227.19461	1.9
228.19756	1.5
229.16260	2.2
230.16452	1.4
231.04980	3.9
237.05464	1.7
237.09131	6.5
250.08652	5.0
251.07083	4.0
253.08582	1.3
261.12521	1.0
263.07083	4.8
268.09894	1.1
270.11328	1.2
291.07156	1.8
322.24945	1.4
323.25369	5.0
324.25592	6.6
325.15680	1.0
339.17108	1.9
351.17465	1.2
356.19586	5.6
369.19083	1.1
393.19232	5.4
419.17053	5.2
437.17892	6.1
437.33810	7.9
455.13184	1.8
455.19241	39.8
455.26248	16.4
455.34930	53.9
455.41351	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98431	0.4
71.84275	0.4
78.20418	0.4
82.77942	0.4
92.18332	0.5
101.56673	0.4
112.89609	30.7
115.87704	0.5
141.77185	0.4
168.77246	0.5
173.02962	0.7
342.80884	0.4
376.84930	0.4
455.11624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06832	1.7
57.07085	30.8
58.29841	1.3
66.24046	1.4
68.57466	1.2
68.72899	1.4
71.08634	24.7
71.62846	1.6
73.06544	2.8
85.10187	18.6
89.06033	100.0
97.10155	2.2
125.74198	1.4
133.08606	31.7
177.11220	7.7
243.23199	8.4
250.15927	1.7
266.08945	1.4
268.48782	1.4
283.17532	25.0
287.25690	2.1
344.14218	1.5
437.28741	2.7
437.34726	85.6
454.37305	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	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59710	0.3
54.91100	0.4
104.38374	0.4
112.89598	5.2
119.02103	0.5
119.05247	0.5
143.01880	2.1
164.02274	0.6
173.02934	4.7
182.03471	0.5
284.06619	0.8
365.09363	3.2
383.10910	0.5
401.25406	0.5
403.75003	0.6
455.11621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2932
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
52.90589	1.4
55.05505	1.7
55.77228	1.4
57.03436	8.1
57.07080	26.9
59.64898	1.3
67.05489	3.2
69.07058	3.6
69.99291	1.5
71.08634	23.6
81.07066	8.8
83.08608	8.4
83.78645	1.3
85.10196	15.4
95.08607	13.4
97.10184	3.1
109.10111	2.3
110.51112	1.5
193.85284	1.7
257.24765	1.9
306.55621	1.9
313.27356	100.0
388.36813	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	454.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07726	0.5
57.92506	0.6
58.06599	0.9
58.91455	0.4
65.55568	0.4
70.06602	4.3
71.53605	0.5
72.08137	2.3
79.29900	0.5
81.07066	0.4
82.06577	0.8
84.08154	0.9
85.02921	0.5
88.17276	0.5
100.41784	0.5
112.08714	0.7
114.09167	1.0
114.97276	0.5
126.12772	0.5
129.10190	0.8
152.08127	0.6
160.07578	36.2
161.08357	0.6
174.09111	1.1
186.09158	100.0
187.09918	34.0
202.11023	1.2
217.13361	6.0
218.14153	23.7
248.02292	2.2
266.03348	2.2
317.18530	1.0
324.31604	0.7
454.07230	5.3
454.24551	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2932
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
57.03444	3.6
57.07087	20.7
60.66899	1.9
62.06091	26.7
67.05508	1.9
67.37777	1.5
69.07089	2.2
71.08633	13.8
77.36407	2.0
78.25333	1.8
81.07055	3.6
82.39941	1.6
83.08633	2.8
85.10171	11.1
92.22794	1.8
95.08595	10.0
97.10159	2.0
97.83842	2.0
98.98477	3.6
109.10136	8.1
132.10309	1.8
144.39182	1.9
155.00980	3.0
168.22710	1.7
203.56802	1.8
263.95322	1.8
282.27902	14.8
313.27374	100.0
393.23990	11.2
436.28378	22.5
454.29239	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	454.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.7
58.37236	0.5
60.05661	0.9
70.06589	6.2
72.08160	8.1
81.07104	0.8
92.17838	1.2
94.07666	0.6
97.07646	3.7
98.06062	2.4
105.03396	0.7
114.10294	24.6
115.08649	0.9
127.61253	0.8
157.10851	21.9
160.08691	6.4
163.57217	0.7
176.08224	1.0
177.04118	1.0
180.48288	0.7
192.06570	8.4
199.10085	0.7
202.51669	0.6
214.13431	2.7
216.23154	0.8
218.09212	0.9
227.00372	0.7
228.27151	0.7
231.15991	8.1
249.10236	3.2
250.08563	6.5
252.10291	0.9
252.12891	0.6
257.13956	1.6
261.07925	3.8
263.09219	0.8
264.10318	0.7
277.07367	1.3
277.09802	14.6
278.08118	30.4
282.11139	2.4
289.09787	2.9
291.11298	1.1
292.09677	46.5
330.15988	8.3
331.14404	24.4
363.16962	1.3
373.16592	15.5
390.19226	18.4
405.19214	9.2
422.21863	100.0
454.24484	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	454.2344
Annotation	Citrinalin B
Peak:m/z	Relative Intensity
56.71451	0.5
57.03437	2.5
62.02362	0.5
64.58212	0.5
64.76609	0.5
67.05486	0.8
69.07081	1.1
72.08169	12.4
75.09212	0.8
83.08624	0.8
84.08144	0.9
109.10163	8.9
111.08073	0.8
112.11227	3.4
118.37886	0.6
119.04944	3.7
127.11205	6.3
129.13878	3.8
135.04408	0.9
145.02872	1.0
146.16588	2.9
147.04420	72.9
147.87520	0.7
153.12831	0.8
155.11768	1.3
155.14336	3.7
163.03902	41.3
171.13792	9.6
177.09076	0.7
204.10210	80.5
206.08002	0.8
220.09715	8.9
221.12872	1.1
234.11334	6.3
275.17661	3.0
291.17120	4.0
292.20193	3.9
308.19736	9.9
440.22781	0.8
449.61880	0.7
454.23413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25113	0.2
52.85257	0.2
55.05524	0.3
69.03413	0.3
69.07077	2.6
70.06589	0.5
70.07396	0.4
72.08161	3.4
79.05488	0.9
84.08136	2.6
92.17799	0.4
95.08627	0.2
96.08128	13.0
97.06528	0.5
97.08457	3.8
109.10174	1.1
112.11221	1.0
113.10771	7.4
114.09170	37.7
114.11018	2.1
115.07567	1.1
115.09507	12.4
119.04935	1.1
127.11160	1.2
129.13855	0.9
132.10155	0.5
136.43655	0.2
140.11360	0.2
145.02859	0.4
146.16545	1.0
147.04416	18.4
155.11765	0.3
155.14304	1.6
163.03899	9.3
171.13783	0.4
187.40515	0.2
203.11896	0.2
204.10199	18.6
208.18102	1.9
209.16507	24.0
209.18336	1.4
210.16829	23.2
211.15193	0.5
220.09702	1.8
221.12871	0.3
226.19115	6.8
227.17519	3.0
227.19472	6.7
228.15923	6.2
228.17912	2.9
229.16299	6.6
234.11221	3.0
275.17419	1.2
279.45621	0.2
291.17072	0.5
292.20367	0.9
305.07721	0.3
308.19714	2.4
321.26547	0.8
322.24527	5.1
323.25211	19.2
339.27597	1.1
340.28119	3.2
341.26291	2.9
342.24661	0.4
436.33612	18.5
454.23978	25.8
454.34631	100.0
478.21420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
57.03446	4.5
59.04998	2.6
61.02926	1.6
67.05513	7.7
69.03439	4.9
70.06594	3.1
71.01328	0.4
71.05016	0.3
72.08159	3.8
73.02921	12.3
79.05497	3.4
81.03397	0.4
81.07069	11.9
83.08626	0.6
84.04504	0.6
84.08148	2.1
85.02908	7.8
86.09721	0.5
93.07070	0.5
97.02898	10.6
97.10169	0.3
99.04436	0.5
105.07055	0.4
107.08600	14.4
109.02863	0.7
109.10118	0.3
114.10305	1.5
115.03943	5.9
125.09637	100.0
127.03898	2.7
129.10201	0.5
132.06703	0.4
133.04970	1.5
143.10692	4.8
145.04996	1.8
150.07642	0.4
153.09129	1.6
153.12793	1.6
158.75737	0.3
163.03928	0.6
167.10590	2.6
171.10207	1.9
183.11351	0.4
187.10866	0.6
195.10208	1.3
213.11281	1.7
223.06119	0.4
259.08203	0.5
292.19620	0.4
295.10248	1.2
323.10263	0.4
324.08820	1.9
347.11710	0.3
428.85672	0.3
437.18124	0.4
454.21106	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	454.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79385	0.4
51.57204	0.4
53.00309	0.5
55.05508	0.7
57.03434	1.1
57.07086	0.8
59.04996	1.2
62.57347	0.5
63.61049	0.5
67.05503	0.8
69.03428	2.5
69.07060	3.1
70.06592	3.5
71.05000	14.1
72.08154	3.0
73.06557	4.2
79.05497	3.5
81.03410	0.7
81.07064	18.1
84.08148	1.2
85.02924	3.8
87.00850	0.6
91.05458	0.9
93.07044	15.4
95.08604	2.9
97.02893	1.3
97.06516	0.7
99.04514	0.8
104.07124	0.5
105.01856	3.7
105.62333	0.5
107.08599	11.9
107.09303	0.7
107.54882	0.5
109.02896	0.6
109.10173	4.7
111.08140	0.9
125.09621	3.4
127.03916	2.8
133.10124	0.7
135.11699	31.7
138.07809	0.6
145.05020	0.8
153.12750	100.0
163.03914	2.7
171.10167	1.1
171.13863	1.1
177.08943	0.6
190.79723	0.6
231.05025	1.1
231.73846	0.5
249.06004	2.0
279.17435	0.7
315.19519	2.3
406.99976	0.6
436.21387	1.0
454.22763	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	453.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50239	0.2
69.07060	3.6
79.05514	1.0
96.08139	21.0
97.06525	0.7
99.75099	0.3
113.09982	0.4
113.10773	11.1
114.09171	59.6
115.07582	1.4
132.10246	0.6
191.15462	0.4
208.18069	2.9
209.16501	53.9
210.14893	1.4
215.91890	0.3
225.08679	0.3
226.19138	16.0
227.17546	7.8
228.15955	13.6
304.23682	0.4
304.79163	0.3
321.26379	1.8
322.24887	30.0
323.23233	0.5
339.27628	3.9
340.25989	4.1
341.24188	0.5
411.40384	0.3
431.42889	0.4
435.27332	0.5
435.33322	18.9
453.34375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
52.76731	1.6
55.05505	2.4
60.19316	1.5
61.96787	1.8
67.05483	3.2
69.07050	7.3
81.07079	15.3
83.08612	6.9
91.05498	2.4
93.07044	13.2
95.08605	32.7
95.55948	2.0
97.10166	2.6
99.08084	11.6
105.07024	20.1
107.08589	37.6
109.10170	19.4
117.07027	2.3
119.08582	45.2
121.09332	2.6
121.10146	35.2
123.11736	8.3
131.08553	20.6
133.10141	35.9
135.11684	20.4
143.08585	3.4
145.10118	48.5
147.11691	37.7
149.13280	9.0
157.10156	7.4
159.11703	41.0
161.09528	2.0
161.13235	21.9
163.11197	17.2
163.14799	11.3
171.11681	10.6
173.13243	25.6
175.14810	30.7
177.12784	3.2
177.16386	28.9
185.13243	8.6
187.14803	52.2
189.16380	86.4
189.18094	3.2
191.17950	8.2
197.13217	3.6
199.14760	12.5
201.16370	89.2
203.14316	2.9
203.17952	14.4
205.15894	75.7
207.17494	3.5
208.47769	2.1
209.13283	2.0
211.14812	6.8
213.16452	9.0
215.17976	11.5
221.15329	1.9
227.17970	8.7
229.19324	2.4
239.18005	3.2
241.19556	2.2
243.21046	1.8
247.16960	3.4
267.21164	2.6
389.32120	3.6
407.33160	55.7
407.38419	2.3
435.32498	12.6
453.33655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
55.87184	0.2
57.03416	0.2
58.06594	0.2
59.04871	0.3
60.05650	0.4
67.05502	0.9
67.52084	0.2
69.03418	1.1
69.07060	0.5
69.51778	0.2
70.06596	2.7
71.04984	0.3
72.04508	1.2
72.05640	0.5
72.08160	4.3
73.06415	1.0
79.05473	0.4
81.03431	1.4
81.07048	0.5
84.08160	0.5
85.02917	1.0
85.06404	0.2
86.07195	3.9
86.09685	0.9
87.07466	0.4
87.07978	8.6
91.05463	0.9
93.07049	1.5
95.04962	0.8
95.08607	0.9
96.04526	0.2
96.08148	1.6
97.02882	1.0
97.06462	0.2
98.06046	0.4
99.04441	1.1
100.08742	1.1
101.09528	2.6
105.07048	1.3
107.08611	1.3
108.04425	0.2
109.02877	1.5
109.10109	0.3
111.04469	0.3
112.07596	0.5
112.08724	0.8
113.10769	4.2
114.09171	25.3
114.10301	2.6
115.03956	0.3
115.08703	2.0
119.08603	2.9
120.08122	0.4
121.06506	0.5
121.10141	1.3
123.04417	0.3
123.08012	0.3
125.06029	0.3
126.10284	2.8
127.03914	2.1
129.07010	0.3
129.10246	0.3
130.11008	0.4
131.08563	1.6
131.11803	3.2
133.06516	0.3
133.10127	3.1
135.08072	3.3
135.11711	0.9
136.07600	0.3
140.11832	1.0
142.08711	0.2
143.08522	1.6
143.11810	1.4
145.10146	1.0
147.08107	1.5
149.05939	0.2
149.09628	1.1
149.10754	0.5
150.09137	3.5
151.59348	0.3
153.10262	0.3
155.08493	0.3
156.11331	3.2
157.09853	1.0
159.08058	1.0
159.11707	0.4
161.09615	4.4
167.10654	0.2
167.11803	1.7
168.09245	0.3
168.13840	0.3
171.08099	0.4
171.10031	2.3
171.11690	1.9
172.13187	0.3
173.14027	3.2
175.07455	0.3
177.12787	0.4
178.12285	0.5
179.07007	0.9
181.10136	0.9
183.11783	0.2
184.10825	0.5
185.11661	0.4
186.14796	1.0
189.09074	0.9
197.13977	1.3
198.12393	4.9
199.11230	3.5
201.12708	0.4
209.12917	1.2
209.16479	2.7
213.03946	1.3
217.12294	2.0
220.16975	4.0
222.08850	0.3
225.17120	1.1
226.19171	0.4
227.10741	3.0
227.13989	0.3
227.17514	0.3
228.13895	0.4
228.15959	0.4
234.14937	0.2
235.14441	0.3
237.19633	1.4
245.11696	2.0
266.18625	0.9
269.16162	0.3
270.18802	2.5
272.14035	0.3
274.14191	0.3
279.20761	0.9
280.16904	0.3
287.21408	0.4
298.18030	3.7
301.22980	0.3
315.20517	1.5
316.19101	3.4
322.21576	0.3
322.24951	1.3
329.22305	0.3
333.21890	0.3
339.20325	0.4
339.23907	3.9
339.27454	0.4
340.18790	0.3
349.18756	0.3
357.21631	0.4
373.22763	1.4
391.27484	0.2
393.24399	0.3
400.22263	0.3
410.21942	0.2
411.25385	0.3
435.26437	0.3
435.33316	1.0
445.18558	0.2
446.71964	0.2
453.27121	100.0
453.33810	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	453.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.3
58.06606	0.4
60.05638	0.4
60.47771	0.3
69.03432	0.9
69.07069	0.4
70.06590	2.9
72.04519	0.9
72.05624	0.9
72.08160	5.9
73.06422	0.8
79.05480	0.5
81.03414	1.8
81.07066	0.6
83.05016	0.3
84.15251	0.4
85.02908	1.9
85.06502	0.3
86.07200	3.3
87.07980	9.3
93.07038	0.7
95.04952	0.7
95.08588	0.7
97.02888	0.7
99.04445	1.7
100.08736	0.4
101.09523	3.2
105.07012	1.7
107.08578	1.5
109.02888	2.2
112.08720	0.5
113.10755	4.2
114.09174	24.1
114.10297	1.6
115.03960	0.4
115.08691	2.4
119.08591	2.7
121.06561	0.4
121.10143	0.8
123.04401	0.6
124.33498	0.5
126.10284	3.4
127.03927	3.6
131.08595	1.4
131.11816	4.8
133.10133	3.6
135.08040	3.3
135.11734	0.9
136.10132	0.4
138.09206	0.5
140.11824	0.6
143.08554	0.7
145.10144	1.3
147.08063	1.9
149.09633	0.9
150.09123	3.5
156.11288	3.8
157.09874	0.5
159.08035	0.4
159.11539	0.5
161.09601	3.5
167.11848	0.8
171.08031	0.5
171.10036	2.2
171.11665	1.5
173.14011	3.5
177.12756	0.8
181.10150	0.6
184.10757	0.7
185.11600	0.5
186.14822	0.8
197.14017	0.8
198.12407	5.6
199.11166	4.7
209.12915	1.7
209.16519	1.5
213.03891	1.6
216.13843	0.6
217.12305	1.8
220.16997	4.3
225.17104	1.4
227.10716	3.3
228.13962	0.6
237.19614	2.2
245.11729	2.3
246.14949	0.4
256.13358	0.5
269.16061	1.6
270.18710	3.2
279.20703	0.6
298.18039	3.1
315.20627	1.6
316.19049	2.8
329.22427	0.5
335.72980	0.4
336.11298	0.3
339.23898	3.7
411.25040	0.4
435.26181	0.8
453.27115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
63.63433	0.4
69.07073	0.4
70.06602	3.4
72.08163	10.7
77.66338	0.4
84.04521	0.8
84.08141	0.6
85.02902	0.6
86.09708	0.5
94.06535	0.4
94.37413	0.5
95.08604	1.8
96.08138	0.6
96.35941	0.5
97.07663	1.1
98.06078	0.8
103.05478	7.0
107.95152	0.5
109.10169	0.7
114.09170	3.0
114.10294	13.8
115.08707	6.1
124.07594	0.6
131.04932	100.0
140.04686	0.6
153.05435	0.6
154.06125	0.7
154.09729	2.5
163.03915	5.7
169.12077	0.5
169.15910	0.7
171.12492	1.0
190.09749	0.7
198.08759	1.1
201.13849	8.8
202.12282	16.8
207.12358	2.9
208.10857	7.2
209.16516	2.0
219.14886	0.8
225.13411	2.4
239.41602	0.6
244.14418	8.7
261.17096	22.8
299.15070	1.0
301.16510	0.7
322.24948	1.0
337.16513	2.4
339.48788	0.5
345.15549	0.9
355.17673	25.3
373.18909	3.8
391.19705	5.6
409.08246	0.8
435.12830	0.6
435.18640	5.6
435.23987	0.7
453.08560	3.5
453.19894	24.4
453.33997	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	453.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97853	0.3
69.03434	0.6
70.06596	0.5
72.08144	1.6
74.02448	1.8
74.06071	2.0
79.02586	0.4
79.86410	0.3
84.04517	0.7
85.02914	3.6
88.03998	6.1
92.18389	0.4
97.02894	0.5
102.05585	0.3
105.07041	1.6
107.84852	0.4
109.02894	0.3
109.67314	0.4
116.03481	4.4
117.98034	0.4
120.08116	2.5
121.08433	0.5
122.09683	0.6
125.59084	0.4
127.03923	0.4
130.06538	100.0
131.06868	0.5
134.04497	19.3
143.02583	0.4
144.08101	9.0
158.06052	0.8
166.08672	0.7
167.08945	0.5
168.07787	0.8
170.06055	1.4
172.07581	30.2
184.07532	0.6
199.08659	1.4
200.07135	0.7
226.08711	0.6
238.08592	0.7
256.09729	0.9
273.08713	2.9
274.10712	0.4
291.09763	39.4
292.11819	1.6
333.10773	7.7
399.11761	0.6
417.12915	0.6
435.20554	1.6
453.23132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83067	0.2
53.30057	0.2
53.53053	0.2
59.83390	0.2
65.83331	0.2
69.03407	0.3
72.08158	0.3
72.45918	0.3
74.02441	1.6
74.06065	0.3
85.02913	3.2
88.03999	5.6
97.02880	0.5
116.03469	2.9
130.06532	100.0
134.04491	16.9
142.07658	0.3
144.08104	8.1
158.06003	0.5
168.08055	0.3
172.07571	27.5
176.07112	0.3
196.07568	1.1
199.08675	1.0
200.07071	0.4
238.08598	0.6
245.09117	0.3
246.51738	0.3
250.74442	0.3
256.09662	0.3
273.08688	3.3
274.10724	1.2
291.09756	38.8
292.11905	1.2
315.09790	0.4
333.10806	7.9
399.11575	0.4
417.12674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07089	37.5
64.79465	0.9
69.07077	1.8
71.08635	40.7
77.48843	0.8
82.28094	0.9
83.08622	1.7
85.10195	26.7
89.06036	63.3
133.08606	24.0
144.39987	1.0
151.09637	1.1
177.11234	4.5
189.37856	1.1
239.14902	20.2
272.83469	1.1
285.28030	1.2
298.75650	1.0
329.30869	1.2
365.97644	1.0
435.36819	100.0
452.39914	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	452.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.9
57.03440	8.2
57.07080	4.0
67.05501	10.8
69.07079	21.3
71.08636	2.9
71.32992	1.5
77.59609	1.8
79.05492	2.6
81.07077	17.0
83.08623	14.8
88.97941	1.5
90.52077	1.6
91.80670	1.6
92.17838	1.9
93.07052	4.1
95.08604	15.3
95.45224	1.9
96.03345	1.6
97.06519	2.0
97.10174	11.6
99.96089	1.5
107.08620	2.6
109.10173	1.9
111.11720	2.2
121.10172	9.9
123.11720	3.3
135.11699	8.5
170.30521	1.7
171.13760	3.5
172.43755	2.1
230.18716	1.9
280.26358	2.3
311.25833	100.0
412.80478	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	452.2775
Annotation	Cytochalasin II
Peak:m/z	Relative Intensity
51.99022	2.4
55.05509	5.4
57.07078	4.1
59.21205	2.6
60.94226	2.5
62.06093	28.5
67.05499	12.1
69.07056	17.4
81.07067	18.1
83.08626	5.1
93.07030	4.0
95.08593	17.2
97.10187	5.5
107.08612	3.3
109.10150	4.5
135.11705	3.2
155.01051	5.9
241.23645	3.0
268.80673	3.4
280.26474	11.7
311.25778	100.0
340.09387	3.0
384.95737	3.1
396.41086	3.6
411.16800	4.3
411.31418	3.0
434.26923	23.5
452.27484	22.2
452.38678	15.1
476.64478	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	452.2662
Annotation	Olivimine
Peak:m/z	Relative Intensity
52.85311	0.6
58.06601	0.8
64.86021	0.6
72.08150	1.2
81.02547	0.8
84.05629	0.7
86.09730	0.7
98.06058	0.6
112.97961	0.7
124.08804	0.7
144.08096	28.3
158.09695	1.2
160.07611	1.0
170.09654	100.0
171.10426	22.6
186.09084	2.7
187.09482	4.5
201.13857	7.4
202.14671	18.2
301.19205	1.1
452.26581	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	0.8
63.45477	0.3
63.76152	0.3
70.06556	0.3
76.77968	0.3
107.96742	0.4
124.08728	0.4
125.78503	0.3
144.08093	28.9
158.09660	3.0
170.09648	100.0
171.10431	23.7
186.11574	0.5
201.13863	7.7
202.14664	16.8
291.56641	0.4
301.19235	0.9
347.43686	0.4
351.62567	0.4
409.06812	0.4
452.26572	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	452.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
124.08652	0.6
144.08087	26.1
144.09200	1.0
158.09691	2.3
170.09645	100.0
171.10419	25.2
171.74232	0.5
201.13887	8.1
202.14633	16.7
202.16385	0.8
287.53949	0.5
375.09769	0.6
404.16571	0.5
452.26566	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00439	1.3
52.18089	1.4
57.12395	1.4
58.06612	23.9
59.07388	2.8
60.08180	48.8
68.05019	6.9
70.06590	3.1
72.08126	1.8
81.07052	1.7
91.05483	3.6
92.18459	1.7
105.07092	1.9
109.10128	1.5
124.03958	3.9
131.04941	41.0
134.66722	1.6
145.10164	11.6
148.11226	6.7
151.89355	1.6
157.10106	2.5
163.13541	1.8
172.11215	8.0
173.09642	29.7
200.10712	62.8
217.67720	1.6
228.10144	17.2
259.18088	16.6
287.17548	50.1
294.07730	2.0
364.11661	3.3
393.18066	9.9
452.25522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67593	0.2
54.21604	0.3
54.69772	0.2
55.03008	0.3
55.05507	0.5
60.05637	1.2
60.68011	0.2
61.02915	0.3
63.35903	0.3
69.03439	0.3
70.06596	4.0
71.25021	0.3
72.08162	19.3
73.04076	0.3
75.91562	0.3
81.03410	0.3
81.07065	0.3
84.08138	0.4
85.02920	1.1
89.10770	1.2
92.55890	0.3
95.08598	0.3
97.02889	0.5
97.07644	3.5
98.06075	2.2
98.07175	0.4
109.10214	0.3
110.07152	0.3
114.10295	37.9
115.08696	4.8
117.23177	0.3
123.04454	0.4
125.26334	0.3
127.03970	0.5
131.12932	1.4
133.10092	0.5
140.08131	0.3
144.08104	2.0
151.11154	0.4
157.10826	1.3
162.05527	3.0
163.03909	0.6
169.08553	0.4
170.09679	5.3
171.10420	1.6
172.09663	0.4
176.06985	0.4
177.05528	0.4
187.09735	0.4
188.07088	1.3
190.05019	0.3
190.08540	0.3
192.06532	2.8
202.04988	1.1
202.14668	1.2
204.06505	3.0
206.08075	0.5
216.06557	3.0
218.08087	1.2
220.06053	4.6
222.07622	1.2
230.04530	2.1
232.05907	0.6
234.07610	5.3
244.05960	3.1
246.07770	0.7
248.05499	3.3
248.09160	0.4
250.10823	0.3
252.08672	0.3
260.09180	0.3
261.08633	0.6
262.07108	28.4
264.08652	1.4
272.05545	2.9
274.15353	0.4
275.14029	1.4
276.08707	2.3
278.10199	0.3
280.08163	1.5
286.07275	1.3
287.13940	0.4
289.08289	0.6
290.06610	1.8
303.09924	0.4
303.13287	0.6
304.08151	5.8
305.15146	0.4
315.13589	0.5
317.16183	1.1
329.16098	0.6
332.16217	0.3
333.14499	0.7
343.12790	3.0
345.15591	0.4
347.16534	1.2
357.15518	3.3
357.19705	0.3
357.21118	0.2
361.13947	2.2
374.17075	1.5
375.15573	5.7
385.15027	1.8
388.17343	6.2
389.18152	0.6
390.17813	0.5
392.18835	1.2
394.21140	0.4
403.17181	0.3
405.19943	0.4
417.17740	3.5
420.18817	2.8
434.20380	8.5
452.21390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06374	0.4
53.33029	0.4
60.33612	0.4
70.06601	3.7
72.08158	17.8
73.04029	0.4
84.08138	0.7
90.12096	0.5
93.71391	0.4
97.07652	3.3
98.06062	0.7
112.11131	0.4
114.10295	36.7
115.08684	4.0
121.10027	0.5
123.83073	0.4
131.12868	0.7
140.08127	0.6
144.08044	0.8
157.10847	0.5
162.05511	2.6
168.39903	0.4
170.09639	2.7
175.71065	0.4
176.07050	0.6
188.07169	0.8
192.06500	2.3
202.05075	0.5
202.14673	0.6
204.06607	2.3
206.08040	0.5
216.06541	2.3
218.08104	0.8
220.06067	5.6
221.24861	0.5
222.07657	0.9
230.04512	2.1
234.07622	5.0
244.06033	3.1
246.08075	0.6
248.05426	3.0
260.05545	0.8
261.08737	0.5
262.07098	28.8
262.09872	1.0
264.08710	2.2
272.02850	0.5
272.05679	2.5
275.13910	1.0
276.08643	3.1
280.07999	0.7
286.06985	0.8
290.06757	0.6
303.13531	0.6
304.08099	5.4
333.14563	0.7
334.18240	0.5
342.14145	0.5
343.12985	2.4
346.18127	0.7
347.16275	0.8
357.15634	2.1
361.13980	1.8
363.17819	0.6
374.17230	2.2
375.15509	6.0
385.15097	2.1
388.17410	7.1
389.18112	1.0
392.18741	0.9
393.16428	0.5
417.17569	3.7
420.18881	3.5
434.20343	9.5
452.21371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51841	1.1
56.05052	11.0
56.66881	1.1
57.03439	1.3
58.06363	1.2
58.06601	12.8
69.03430	2.1
70.06584	6.5
71.08640	1.6
72.08149	6.6
74.06087	56.7
75.53877	1.2
77.25851	1.2
79.05507	1.7
81.03417	3.1
81.07074	1.5
83.06110	26.7
84.04517	45.4
84.08147	10.0
85.02903	7.6
85.29601	1.2
86.09698	5.8
88.11264	7.3
91.05466	1.9
92.36776	1.3
96.04475	6.0
97.02880	2.3
101.07149	14.5
102.05563	11.4
103.49122	1.4
105.01848	1.4
105.07050	28.6
106.07368	6.3
107.08612	6.8
109.02903	2.1
109.10163	1.6
113.07140	15.1
115.08682	1.6
120.08111	100.0
122.09692	16.0
123.08084	1.7
123.09981	2.5
127.03876	2.0
129.06578	9.6
129.10219	3.2
130.05034	2.3
130.06544	22.3
130.08627	1.6
131.08163	5.8
133.10153	1.6
133.80153	1.3
139.07469	1.3
140.08203	46.5
141.06586	14.9
146.09631	6.7
150.06580	1.2
151.07562	2.3
157.05237	2.4
158.09294	9.5
159.07582	10.4
160.07567	2.0
166.08630	52.5
168.07684	53.3
169.06096	17.5
169.08490	1.8
175.12231	2.1
176.07082	2.4
186.08873	16.5
186.11229	1.5
187.09502	2.1
192.10245	5.3
203.11751	5.1
204.06569	2.5
204.12328	2.4
221.12892	5.3
224.10271	10.4
225.09842	1.7
225.13365	1.8
249.12364	6.7
260.14029	1.7
267.13388	15.3
269.12482	12.1
270.10980	9.7
275.62918	1.5
287.13409	18.5
306.14578	4.9
320.02347	1.7
371.17181	7.3
389.18268	1.9
416.19177	6.8
417.17792	24.5
434.14648	2.6
434.20349	55.1
435.18747	6.6
452.11572	4.7
452.15433	2.6
452.21152	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.9
55.01878	3.0
55.05516	1.4
56.09485	0.6
57.03440	3.2
61.02929	1.2
64.38137	0.6
66.07565	0.7
67.05518	12.0
68.87593	0.7
69.03436	15.7
69.03992	0.8
69.07077	14.4
70.06586	2.6
71.04993	7.4
72.08150	3.9
73.02911	2.8
73.80035	0.6
79.05500	3.4
81.03432	10.2
81.07067	13.3
82.91885	0.6
83.04995	7.0
85.02915	46.7
85.06525	3.7
87.00841	18.2
87.04536	0.5
91.05486	9.3
93.07057	9.6
95.04987	1.5
95.08614	2.5
97.02897	17.2
97.06545	2.4
99.04469	11.0
99.08103	0.8
105.01875	25.0
105.07038	10.0
107.08602	22.7
109.02897	21.9
109.06517	4.4
109.10165	57.8
112.49184	0.7
113.05998	5.3
114.09199	5.5
123.04358	0.7
123.08018	0.8
123.11715	12.4
125.09660	1.2
127.03923	31.1
127.07552	5.6
129.01863	2.5
133.10143	75.0
145.04991	6.7
151.11191	74.2
159.02890	5.8
162.92055	0.7
163.03934	4.1
167.07027	17.8
168.46544	0.6
169.12242	100.0
171.02858	0.8
187.13315	14.5
194.80489	0.7
211.09682	3.0
213.04022	3.0
231.05042	9.7
249.06149	4.5
277.14255	2.9
294.16974	0.8
295.15500	0.6
381.15402	3.7
381.86493	0.8
399.16479	4.1
405.97128	0.7
417.17459	2.8
452.22305	6.9
452.33560	3.3
462.32129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18243	1.9
55.01877	4.5
56.07373	1.6
57.03441	7.4
61.02931	3.0
63.15066	2.0
65.48142	1.7
67.05505	7.9
69.03436	35.2
69.07066	7.9
70.06596	19.0
71.04981	8.6
71.60195	1.7
72.08155	10.7
73.02909	4.6
79.05463	3.8
81.03424	20.8
81.07065	14.5
83.04977	3.9
83.08616	2.1
85.02419	4.1
85.02915	100.0
85.06538	8.2
87.00834	34.9
88.13982	1.7
88.94201	1.7
91.05482	13.9
93.07041	8.7
95.04948	2.9
95.08620	7.8
96.29358	1.8
97.02892	44.3
97.06509	2.4
97.37375	1.9
99.04456	23.0
103.03976	2.4
105.01872	68.0
105.07036	14.0
107.08578	16.7
109.02888	35.7
109.06500	4.6
109.10161	38.3
111.08089	11.5
114.09145	2.1
121.10166	2.2
123.08095	2.5
123.11713	13.9
124.07558	2.2
127.03916	79.8
127.07529	2.4
127.21841	1.9
129.01840	3.5
131.08563	9.1
132.09012	2.5
133.06470	1.9
133.10130	51.8
145.04950	26.8
145.10168	2.3
151.11191	43.1
159.02856	16.4
159.11716	9.6
160.12035	8.4
163.03883	2.6
163.11295	2.1
164.10683	2.4
169.12242	55.9
173.13283	7.7
174.13553	10.5
179.10735	2.0
181.07404	1.8
187.13321	21.0
188.07460	2.3
193.12265	2.9
201.12770	4.5
202.13127	11.6
213.04015	2.3
231.04980	22.6
233.10367	3.5
234.07503	2.4
240.12251	4.1
249.06055	21.5
250.13174	7.8
254.99597	2.2
259.13251	8.2
261.08740	7.4
277.14362	11.0
295.15222	6.1
332.65125	13.6
363.14371	4.5
380.60596	2.5
381.15417	21.5
399.16278	14.3
417.17340	2.9
424.88351	2.0
434.21973	3.6
450.38876	1.9
452.17490	3.0
452.23322	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	451.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91838	0.3
69.07067	0.3
71.29615	0.2
85.09556	0.2
89.03905	0.6
93.07017	0.3
94.00032	0.3
95.08602	0.3
109.10170	0.3
117.03383	5.4
135.04422	0.3
145.02861	46.5
149.05998	2.4
177.05482	100.0
184.39090	0.2
186.05513	1.1
274.11502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2671
Annotation	Tyr Arg Ile
Peak:m/z	Relative Intensity
50.89375	0.8
80.35007	0.9
84.90942	1.0
90.79991	1.1
90.96785	0.9
149.24966	0.9
169.04912	1.3
193.52931	0.9
258.08746	1.1
269.27747	1.0
276.31543	0.9
451.26630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2694
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
54.65333	0.3
55.33752	0.2
57.04012	0.3
67.05511	0.3
79.50441	0.2
81.07041	0.3
89.03921	1.0
114.35463	0.3
117.03373	4.6
145.02855	45.7
149.05981	2.6
163.03862	0.3
164.78192	0.3
164.79541	0.3
177.05476	100.0
186.05463	1.4
186.23517	0.3
264.12030	0.3
465.15530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22670	1.0
51.30526	0.8
51.72886	1.0
52.88316	0.9
53.55935	1.1
67.05505	1.8
68.94335	0.9
68.97485	1.2
69.03441	6.1
70.06596	2.0
70.17625	1.0
72.08158	7.0
73.02933	1.6
78.76411	1.0
79.89640	0.9
80.98369	1.0
81.03439	1.7
83.05015	1.7
85.02902	12.3
86.67852	1.1
87.04474	2.4
87.20184	1.2
97.02881	4.7
109.10173	2.0
114.09158	2.5
122.07184	1.9
127.03937	2.4
143.11844	1.5
144.08095	20.7
157.08919	1.4
158.09698	7.7
159.10509	1.3
160.07565	1.5
163.03926	2.0
167.07272	1.6
170.09686	5.6
181.08900	14.3
182.09653	14.5
182.74677	1.1
183.10493	2.2
184.11269	2.4
186.09189	1.7
194.09723	4.8
195.10527	4.3
196.11235	69.8
196.13057	2.3
198.12810	1.5
207.10460	4.2
208.11337	2.6
209.12036	2.1
210.09355	1.6
210.12761	10.7
211.10042	4.6
212.10751	1.3
212.14455	5.7
214.12228	19.2
221.08206	1.6
222.12819	15.5
224.14412	1.2
228.10281	2.1
228.13972	4.5
232.13417	2.7
236.10739	1.1
240.13812	27.2
242.11955	4.3
254.11737	20.1
258.14917	34.4
258.17542	1.5
271.14758	1.3
323.52768	1.1
376.17563	1.7
394.18698	1.4
399.57773	1.0
420.20236	8.8
433.24521	5.1
451.24625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94996	0.5
55.94924	0.4
56.60265	0.4
67.05509	0.5
69.03439	0.7
70.06585	0.6
71.29671	0.5
72.08150	1.0
76.69678	0.4
78.35191	0.5
84.08129	0.6
85.02920	3.7
97.02889	0.9
127.03912	4.5
136.07579	0.6
148.07568	0.5
160.07574	45.8
161.08316	2.7
170.09621	0.9
174.09123	3.7
186.09132	25.3
187.09898	7.4
188.09357	0.7
203.11803	4.4
204.12589	45.4
205.13393	6.4
271.18076	2.8
272.16525	0.8
289.19107	51.9
297.82825	0.6
309.47885	0.5
400.36130	0.5
451.24411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63084	0.4
58.79721	0.3
64.33786	0.4
64.59633	0.4
70.75183	0.4
83.24429	0.3
86.98595	0.3
108.08148	0.5
136.07552	0.5
149.78957	0.5
160.07565	30.8
161.08342	2.7
162.08937	0.5
163.03958	0.9
174.09167	2.9
186.09151	21.1
187.08400	0.6
187.09923	7.2
189.10197	0.7
197.90128	0.4
198.09290	0.4
203.11823	2.5
204.12587	83.5
204.29366	0.4
205.13405	0.7
246.14821	0.5
254.15411	2.0
260.16510	0.6
271.17953	3.5
272.12830	0.6
272.16464	2.8
274.16772	0.8
289.19101	57.6
366.18008	2.1
390.08167	0.4
410.38065	0.4
433.24149	0.5
451.24460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05298	0.3
51.49661	0.3
53.28992	0.3
60.05502	0.4
61.42385	0.3
69.03430	0.8
85.02905	0.7
87.04498	0.5
87.12084	0.4
97.02908	0.5
136.07555	0.5
160.07571	65.4
161.08369	2.5
170.09613	0.6
174.09174	3.2
186.09143	38.8
187.09944	8.8
188.09473	2.0
189.10294	1.6
203.11790	5.9
204.12581	50.7
205.13353	4.2
254.15408	0.8
271.17981	2.5
274.16797	0.5
289.19043	5.2
451.24408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88100	0.4
64.54137	0.5
67.03361	0.4
70.06613	1.0
72.08155	0.6
76.99721	0.4
94.23758	0.5
160.07579	36.0
161.08415	2.4
162.09167	0.5
163.04001	0.6
166.49413	0.5
174.09187	3.5
186.09146	23.0
187.09956	8.3
188.10805	0.7
189.10318	0.9
200.10741	1.1
203.11755	3.6
204.12593	86.5
205.13527	0.6
243.14987	0.6
246.15079	0.6
254.15428	0.9
261.16202	0.5
271.18045	5.1
272.16599	2.9
274.16925	1.2
289.19107	58.0
317.18741	3.3
360.20886	0.5
366.18045	0.7
420.95892	0.5
433.19498	3.5
451.24658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07870	0.8
60.08176	23.7
64.68526	0.3
68.05032	1.3
72.05135	0.3
80.62968	0.3
85.02887	0.8
95.06097	60.9
96.58131	0.4
97.02940	0.4
98.02875	0.3
100.11186	0.3
100.20323	0.3
127.03932	0.3
139.05038	0.6
143.01886	0.5
154.13399	69.6
198.12389	100.0
230.62463	0.3
254.11246	1.2
259.12161	0.5
303.88080	0.3
320.03983	0.4
354.10812	0.8
451.14813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73763	1.3
53.16290	1.3
73.00073	1.4
81.07044	2.3
91.30792	1.6
95.04981	1.7
105.03737	12.8
105.07037	2.9
119.08562	3.5
122.06375	14.9
124.07584	24.5
131.08571	44.9
133.10168	2.1
137.05943	1.8
143.08514	2.2
144.09352	3.6
144.91876	1.7
145.10104	14.2
158.10918	10.2
159.08055	2.2
159.11685	79.6
159.12970	3.5
161.07961	1.7
169.09737	2.8
170.09711	3.2
171.11642	3.7
173.09721	2.6
173.13252	100.0
183.11627	2.2
186.10399	20.0
188.07430	18.5
201.12740	95.8
213.08778	2.3
225.07625	1.8
233.09489	13.2
249.47581	1.9
251.10550	13.4
387.22781	3.9
433.21967	7.3
451.22714	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	451.2234
Annotation	D-Phe-Pro-Arg-CH2Cl
Peak:m/z	Relative Intensity
58.42585	0.4
59.45736	0.5
63.03009	0.3
64.89235	0.4
65.08754	0.4
77.65919	0.4
91.05501	0.5
95.04948	0.7
109.02897	0.5
109.06548	0.6
118.06516	0.5
120.08101	9.4
121.08884	2.2
122.09666	0.8
131.07327	0.5
132.08066	3.7
134.09641	2.2
137.05972	0.7
143.07291	0.6
144.08073	12.1
145.08817	0.6
146.09662	3.3
148.07632	1.0
148.11217	0.5
149.11996	2.7
157.08836	1.8
158.09662	6.4
159.10394	1.1
160.07452	0.4
160.11206	0.8
162.09129	1.0
163.03909	0.8
170.09634	1.8
172.07547	3.9
174.09140	6.2
176.10703	12.2
177.05554	0.5
177.11511	3.8
184.07597	2.4
184.11203	2.0
185.08301	0.7
186.09148	4.5
187.09918	12.9
194.09645	0.9
196.11203	3.4
197.12025	2.4
198.09106	0.5
198.12794	4.5
200.10666	3.1
200.14232	0.7
204.10162	1.0
205.11024	2.8
208.11235	0.4
209.11929	0.7
211.09865	0.6
212.10616	0.9
212.14262	3.3
214.12262	3.3
214.15929	1.7
215.13036	1.9
216.13823	0.7
222.12733	2.1
224.10780	0.9
224.14336	0.8
225.11481	1.6
226.12331	0.8
230.15353	1.8
240.13794	4.0
242.11752	2.6
242.15352	4.0
246.11282	0.6
250.12325	1.8
251.77899	0.4
253.11046	0.9
258.14816	5.6
268.13266	3.1
286.14371	12.9
304.15335	3.1
309.36929	0.4
451.22272	100.0
464.89883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1763
Annotation	4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone
Peak:m/z	Relative Intensity
56.08916	0.8
57.34182	0.8
67.06173	0.8
68.94801	0.8
70.06586	2.1
72.08165	32.6
84.08134	1.7
85.89815	0.9
86.09700	1.2
97.07639	1.8
98.06045	1.3
109.02869	0.9
114.09135	1.5
114.09463	0.9
114.10289	18.7
115.08645	5.2
126.75219	1.0
136.07579	1.3
138.09137	1.2
150.05458	1.1
163.03830	4.1
182.31454	0.9
207.60318	1.1
217.04140	1.1
218.02658	10.5
219.14702	0.9
220.04161	3.6
222.02174	3.3
229.06064	1.3
235.05379	1.0
260.04846	3.7
272.07300	1.6
275.04526	2.2
279.04324	12.5
289.10046	7.7
291.11487	2.0
320.06961	1.3
321.05426	14.8
331.11917	2.1
333.13736	1.6
350.16458	1.8
359.11707	1.0
391.14371	1.2
392.12833	17.7
403.64633	0.9
417.12366	1.8
434.14865	5.0
451.17438	100.0
451.21936	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	451.16
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	0.5
79.30157	0.6
80.85803	0.6
91.05486	1.5
105.03442	1.0
109.06522	1.4
119.04910	2.5
123.04435	1.1
133.02843	1.0
133.06485	1.1
135.04373	0.8
136.05171	1.4
137.05988	20.4
140.04553	0.8
147.04428	3.8
148.05136	0.6
151.07538	10.7
153.05501	3.2
155.07043	1.3
164.37949	0.7
165.05482	17.1
167.07031	3.9
177.05428	1.3
179.07034	88.8
180.07779	5.0
181.04956	20.3
183.06570	3.5
193.05023	2.8
197.08087	9.0
206.38069	0.6
207.06577	2.7
208.07291	9.9
209.08066	1.0
225.07576	100.0
226.08347	1.4
309.18085	0.8
339.08841	0.9
383.11588	0.7
401.12244	0.9
451.15802	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	451.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42533	0.6
74.93877	0.7
78.46178	0.7
91.05475	2.6
93.07008	0.8
105.03432	0.9
109.06517	1.4
119.04942	3.0
121.06512	0.7
123.04396	1.5
133.02873	2.5
135.04456	1.1
136.05214	0.9
137.05988	20.0
144.31235	0.6
147.04449	2.7
151.07564	8.8
153.05461	3.1
155.07060	3.7
161.05891	0.8
163.03949	1.2
165.05466	18.1
166.06197	1.1
167.07065	3.9
176.31410	0.7
177.05458	1.0
179.07034	84.9
180.07817	4.5
181.04962	21.7
183.06575	1.1
193.04979	3.0
195.06502	0.6
197.08095	7.7
207.06546	1.6
208.07294	8.7
225.07579	100.0
226.08438	4.9
269.10385	0.8
341.10080	0.7
406.87634	0.8
419.13358	0.8
436.19778	1.0
440.99280	0.7
451.16031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1393
Annotation	IRIGENIN, 7-BENZYL ETHER
Peak:m/z	Relative Intensity
99.97978	0.3
119.08572	0.4
121.02866	17.0
121.10194	0.4
133.10143	0.3
135.89717	0.3
145.10201	0.4
163.03923	0.5
170.44342	0.3
215.07001	1.3
241.04919	6.7
243.06480	0.4
257.08066	1.1
269.04489	1.2
273.07578	0.3
285.07608	3.5
391.08112	0.4
401.10349	0.4
405.09656	23.6
419.11279	1.7
433.12711	1.5
451.13879	100.0
453.92593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34851	0.4
57.07069	2.6
59.72550	0.4
64.76326	0.5
65.27374	0.4
70.06236	0.7
70.06597	12.1
70.06981	0.8
71.08631	1.2
72.08144	1.0
81.49806	0.5
84.08122	5.0
86.09700	5.8
86.80091	0.5
88.07615	0.6
89.06026	3.5
95.51364	0.6
114.09187	6.5
142.89526	0.5
149.27159	0.6
170.09714	0.6
176.12813	11.0
190.14412	9.1
201.63689	0.5
212.23766	3.2
238.25278	4.1
240.26929	0.8
256.26352	3.8
344.31589	85.2
450.37885	100.0
471.41782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68589	0.5
57.05397	0.4
57.07067	2.4
59.80185	0.4
64.21758	0.5
70.06599	10.3
71.08624	2.0
72.08147	2.7
84.08145	5.1
86.09725	4.1
88.07637	1.1
89.06055	5.4
94.59805	0.6
114.09192	6.8
143.91333	0.6
176.12863	9.0
176.62358	0.5
190.14391	7.9
212.23717	3.6
238.25328	5.9
240.26935	0.8
256.26447	3.1
344.31607	87.6
403.87650	0.6
450.37921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31775	0.9
54.29408	1.0
55.05519	15.1
57.03442	3.0
60.80096	1.1
67.05514	12.9
69.03437	6.3
69.07071	2.7
72.70171	1.0
79.05486	1.9
81.07066	4.8
83.04990	1.3
83.08621	18.7
85.06536	1.7
93.07030	6.9
97.10170	71.3
107.08608	19.8
109.10139	1.4
111.08064	1.7
125.09634	100.0
135.08051	7.2
143.10680	5.4
153.09175	8.9
171.10147	26.1
189.11215	66.0
210.92555	1.2
227.10504	2.8
227.12769	84.5
245.13835	97.1
397.22168	14.3
415.23236	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2393
Annotation	notoamide D
Peak:m/z	Relative Intensity
52.81728	1.0
54.90912	1.0
55.05507	1.0
56.71221	0.9
58.06600	8.6
60.56458	1.0
69.99042	1.1
70.06591	1.8
72.08151	6.5
78.08582	1.1
85.02911	2.3
87.06061	1.0
93.07044	16.0
98.06075	1.2
105.01907	1.6
107.08614	1.3
110.06146	1.3
121.10168	6.9
127.03999	2.5
136.07593	5.1
138.09196	1.4
144.08081	13.3
145.06555	1.3
145.08888	6.8
147.92831	1.2
149.09642	4.9
157.08888	5.7
158.09668	8.2
162.61929	1.3
163.04022	1.3
165.05524	1.7
167.07210	1.6
167.10730	6.5
170.09644	1.2
181.08839	10.0
182.09676	15.7
183.10477	5.8
184.11200	22.9
194.09741	2.1
195.10419	13.7
196.11259	2.3
197.08380	40.5
198.12790	8.5
210.12813	41.7
211.10086	1.7
212.10707	100.0
216.10213	2.0
220.11423	1.2
223.09897	2.3
226.12265	15.3
231.05052	1.2
238.12253	48.4
256.13431	4.4
269.16663	2.2
373.12531	1.3
393.18100	41.6
407.19720	2.4
419.19662	32.3
435.22870	4.9
441.21658	2.0
450.23990	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43374	1.0
55.05519	11.4
57.03442	1.4
60.80320	1.3
67.05516	11.7
69.03428	2.5
69.07062	1.2
72.08166	2.2
79.05511	2.8
81.07056	5.0
83.08637	17.0
86.96660	1.2
92.18404	1.8
93.07075	5.5
97.10174	53.3
107.08610	15.3
109.32618	1.3
125.09642	87.8
131.04860	1.4
135.08064	6.4
143.10657	2.7
151.98616	1.3
153.09169	7.7
171.10129	17.3
171.19098	1.4
182.05521	1.5
189.11232	46.3
191.86444	1.4
227.12794	84.9
245.13832	41.2
278.11780	1.6
317.79459	1.4
397.22202	11.9
415.23297	100.0
431.40982	1.4
432.47806	1.4
438.51123	1.3
450.25586	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	450.2393
Annotation	notoamide D
Peak:m/z	Relative Intensity
50.51255	0.7
51.81349	0.9
72.08161	4.2
81.03433	1.1
81.07079	1.7
93.07075	1.8
95.06076	1.0
101.10609	1.0
107.24400	1.4
125.25234	1.2
144.08118	2.0
160.07578	87.6
161.08333	4.4
164.07098	1.8
170.09679	5.8
171.10088	1.4
174.09171	1.6
186.09152	53.5
187.09885	11.3
188.09476	3.6
189.10350	1.7
193.05020	2.2
203.11786	9.1
204.12602	40.5
204.14380	2.0
240.10242	1.9
270.13544	1.1
303.17072	1.9
450.23990	100.0
452.17889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	0.7
57.59986	0.3
58.06589	0.4
65.72932	0.3
73.42419	0.4
76.64418	0.3
83.04977	1.6
103.17365	0.4
105.07040	1.6
106.07379	0.7
113.05634	0.4
133.95366	0.4
144.08090	25.1
145.08881	0.7
153.05658	0.4
158.09653	0.5
170.09648	100.0
171.10429	43.2
182.91019	0.4
201.13907	3.1
202.14656	88.9
212.14372	6.0
213.15132	0.8
248.57164	0.4
269.20148	0.8
270.20920	28.4
307.21085	0.5
318.17517	1.5
338.02414	1.7
339.58609	0.4
394.08899	2.2
450.22360	20.4
450.31567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
56.30288	0.5
57.65823	0.4
59.37608	0.4
60.05662	0.5
66.66596	0.4
68.08403	0.4
69.03423	0.8
70.06246	0.6
70.06599	15.4
72.08160	22.4
73.04032	0.6
73.08447	0.5
81.03391	0.8
81.07073	0.6
82.06606	0.7
84.08126	2.9
85.02892	2.1
86.09723	0.7
89.10776	0.9
91.05499	0.5
97.02861	0.7
97.07645	2.5
98.06049	2.1
105.07023	0.8
109.02863	1.0
112.07578	0.9
114.10294	29.2
115.08708	4.2
123.04453	0.6
124.07580	0.9
127.03894	1.2
128.07037	1.0
129.10226	0.7
131.12979	0.9
149.09619	1.0
150.06769	0.7
151.07518	0.5
157.10828	1.1
162.03374	0.5
162.05498	3.5
163.03893	2.8
167.06985	1.0
175.07533	3.0
187.41139	0.6
188.07074	0.6
192.06628	0.7
202.05095	0.6
204.06578	0.8
230.08179	1.9
232.09790	0.6
235.09656	0.9
240.06419	0.6
258.07611	3.6
260.05573	12.7
274.12744	0.6
274.15720	0.8
275.13828	2.8
278.06564	11.1
284.05600	3.5
292.08118	0.8
298.04337	0.6
302.06680	5.6
317.15942	0.8
320.07660	3.1
334.18619	0.8
334.75568	0.6
343.17542	0.6
372.15524	2.3
373.14014	9.5
387.16440	3.2
390.16788	1.0
390.29031	0.6
391.15018	4.8
404.19412	0.6
415.16052	3.2
432.18594	1.3
433.17047	0.7
450.19763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01868	0.4
57.03431	0.3
57.16461	0.3
61.02937	0.4
63.51864	0.3
69.03436	3.3
71.04997	0.6
73.02869	0.3
77.03912	0.7
79.05510	1.4
81.03426	2.4
85.02911	10.3
87.00831	4.8
91.05489	3.1
93.07047	100.0
95.04974	2.2
97.02893	5.5
99.04452	2.1
105.01871	12.1
105.04489	0.4
105.07045	0.7
107.08610	1.6
109.02863	6.2
111.08126	0.5
121.10143	51.6
125.53249	0.3
127.03912	11.2
129.01848	0.4
131.08603	0.4
145.04956	4.3
145.06015	0.4
149.09621	31.9
150.76901	0.3
159.02972	1.5
167.10670	30.5
191.10686	0.5
213.03999	1.5
231.05019	9.8
249.06046	4.0
251.96094	0.3
257.11972	0.4
275.12915	0.8
284.09753	4.0
379.14011	2.5
397.15103	1.3
415.16010	0.6
450.19998	1.7
465.29520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70014	0.3
69.03421	2.6
75.04520	0.4
77.03932	0.4
79.05490	1.8
81.03413	1.3
81.07058	0.8
85.02927	0.8
87.00840	0.7
91.05469	4.0
92.17844	0.4
93.07047	100.0
95.04974	0.9
97.02892	4.2
97.06537	0.3
99.04463	0.8
104.10768	0.4
105.01855	1.4
105.04530	0.4
105.07030	0.9
107.08602	1.7
108.35501	0.3
111.08096	0.9
121.10144	53.6
123.08090	0.4
127.03940	4.2
131.08484	0.4
145.04987	2.3
149.08420	0.9
149.08743	0.7
149.09624	33.8
167.10670	39.5
178.64865	0.4
184.13248	0.4
231.04984	2.5
242.08220	0.7
249.06065	3.2
266.08768	0.5
270.07803	0.5
284.09714	0.6
288.08743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68923	0.9
52.60129	0.8
58.99608	0.9
67.05498	1.9
70.02969	1.7
72.08184	1.3
76.02220	4.7
79.05503	1.1
81.07039	1.5
82.75729	1.0
88.03999	7.5
92.18424	1.1
95.04967	2.3
96.84721	1.0
105.00152	1.8
107.08605	1.0
110.99099	1.0
111.02625	1.1
120.01081	1.1
121.10076	1.1
122.02735	34.4
125.06002	1.1
127.02089	1.0
135.08060	1.9
147.08055	13.4
157.06528	1.3
159.08060	1.3
161.09566	1.2
171.08034	5.2
173.09673	9.5
181.10164	1.6
185.09700	2.0
187.11166	2.6
191.10632	5.7
197.09660	1.9
198.10417	1.2
199.11229	10.4
201.12747	2.4
205.12334	1.9
207.10146	1.6
209.09581	1.7
211.11147	4.4
213.09001	5.2
213.10907	1.1
213.12781	9.0
214.13498	1.5
222.10345	1.2
223.11209	8.2
225.12697	1.9
229.12157	2.4
229.89536	1.1
231.10095	1.6
231.13922	9.0
235.11151	2.2
236.11803	1.1
237.12682	5.4
239.10652	1.5
239.14284	1.4
241.09988	1.6
241.12257	23.4
249.12692	2.0
250.13382	1.6
251.10535	1.3
251.14339	6.5
253.12259	4.8
259.13300	5.5
261.13058	1.7
263.14322	8.6
265.12143	1.5
265.15826	2.5
267.13690	1.8
275.14340	2.2
277.15897	5.0
278.12842	1.8
281.15399	22.2
283.16895	1.5
291.13940	1.3
293.15341	12.9
294.16104	2.5
295.17099	9.2
299.16446	2.2
301.12677	1.2
307.11377	4.8
311.16367	16.5
313.12531	2.6
325.12619	1.7
327.18253	2.0
329.17355	2.1
343.13544	6.4
352.00238	1.1
361.14703	85.9
450.19366	100.0
465.12756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2878
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
53.91231	0.9
55.14708	1.1
57.18332	1.0
111.04220	2.3
127.03672	1.8
131.29599	1.7
337.16220	2.0
365.76407	1.4
449.28787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19135	0.1
56.06784	0.1
56.50198	0.1
56.80473	0.1
63.23707	0.1
68.07709	0.1
69.07041	0.2
69.76073	0.1
70.06580	0.1
72.08152	0.2
74.06076	0.1
74.50767	0.1
79.05470	0.2
85.02927	0.3
93.07088	0.2
95.08575	0.2
97.02895	0.3
107.08580	0.2
108.04460	0.1
109.02892	0.2
109.10145	0.1
113.75407	0.1
114.09174	0.9
115.85434	0.1
121.10169	0.2
123.31316	0.1
127.03918	0.2
132.58005	0.1
136.06181	0.2
138.52409	0.1
152.06204	1.5
154.34764	0.1
165.07021	2.4
166.07784	0.6
167.08563	100.0
171.10048	0.1
175.50696	0.1
195.01062	0.1
221.08124	0.4
228.16063	0.1
262.17621	0.1
270.34326	0.1
365.65680	0.2
410.90421	0.1
450.16693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42010	0.3
58.06592	0.7
62.59873	0.3
64.71922	0.3
69.45345	0.3
71.60965	0.3
74.02747	0.4
79.39886	0.3
144.06960	0.8
144.08086	23.7
145.08888	0.7
158.09648	2.4
170.09642	100.0
171.10425	31.6
171.35516	0.4
175.85347	0.4
188.89317	0.4
201.13913	5.8
202.14651	26.5
209.98956	0.4
449.26471	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2665
Annotation	Mappain
Peak:m/z	Relative Intensity
50.14590	1.1
51.17913	1.3
52.78981	1.3
55.05523	14.7
55.31841	1.2
57.03442	7.2
57.07082	6.0
67.05508	31.5
69.07071	21.3
70.82712	1.3
79.05502	6.4
81.07058	37.4
83.08629	16.8
91.05476	3.0
93.07049	8.5
95.08611	35.6
97.10187	6.5
98.98429	2.0
105.07025	2.1
107.08588	6.3
109.10165	18.0
111.11677	2.3
113.00019	62.6
119.08593	3.8
121.10143	7.4
133.10133	2.6
135.11708	2.2
136.99985	6.3
149.13165	2.9
152.33636	1.9
155.01065	3.3
161.13179	1.9
169.02605	42.5
170.09711	2.1
171.09985	2.0
187.03606	2.8
245.22467	2.3
263.23767	6.9
337.27353	100.0
431.25638	2.5
449.26761	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	449.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59666	0.3
58.06587	0.6
59.39215	0.4
69.03405	0.5
70.06564	0.5
72.08157	0.5
84.48138	0.4
85.02883	0.7
92.18410	0.5
94.03575	0.5
112.12397	0.5
115.63974	0.5
126.79441	0.4
127.05805	0.4
131.07275	2.7
144.08096	26.0
145.08873	2.8
157.08878	0.6
158.09660	2.4
159.10442	0.5
163.34836	0.4
170.09654	100.0
171.10429	31.0
182.09698	0.7
184.11214	2.0
187.12312	0.9
197.08469	3.3
201.13889	3.8
202.14665	26.8
210.12704	4.0
212.10728	10.3
226.12411	0.8
230.11778	6.9
230.92329	0.5
238.12263	2.7
244.13480	0.7
256.13257	6.7
287.17673	1.1
350.83774	0.5
392.17203	2.0
400.17548	0.5
418.18845	2.1
449.26767	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22482	1.5
55.05512	2.3
55.44110	1.5
57.03450	3.2
67.05510	28.9
73.54849	1.6
79.05489	9.0
81.07057	10.9
83.00612	1.9
84.04514	23.2
86.09692	3.0
87.00840	3.8
87.77634	2.1
92.18414	2.1
93.07038	9.2
97.10165	3.9
105.07037	100.0
107.08592	16.2
109.06523	2.0
109.10186	20.6
111.08068	3.2
119.08560	2.7
122.09663	65.4
125.09627	10.0
130.05003	7.6
135.08073	7.6
153.09138	9.3
159.11617	3.5
187.12344	18.8
188.10719	50.0
189.04015	2.9
205.13393	24.5
216.12300	2.5
233.12840	38.3
234.11249	12.5
251.13770	3.7
269.36539	2.0
326.64215	2.0
382.61850	2.1
431.21616	13.3
449.22708	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	449.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82727	0.7
69.03427	1.3
70.06589	0.8
72.21735	0.6
79.48700	0.6
82.98978	0.6
92.17870	0.9
98.52094	0.6
99.04433	1.0
131.07297	3.7
144.08099	47.3
145.08766	4.6
157.08888	1.0
158.09627	4.5
170.09645	48.6
171.10374	14.0
172.10767	0.9
182.09639	3.5
183.10452	1.3
184.11201	5.0
186.09200	1.3
187.12328	0.9
188.13095	41.9
195.10347	1.0
197.08360	4.4
202.14473	0.8
203.15019	1.2
210.12834	5.1
212.10710	17.6
218.14085	0.7
224.10739	1.0
226.12227	1.5
230.11789	1.4
238.12375	5.6
243.18468	1.3
256.13409	5.1
269.16385	4.1
270.14944	1.2
287.17551	68.7
356.14832	0.7
374.15936	1.5
385.23389	0.9
392.16833	7.8
400.17639	1.4
416.64432	0.7
418.18826	6.5
448.94052	0.7
449.22803	100.0
468.95724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68650	0.7
52.46556	0.7
52.86710	0.7
53.72825	0.7
58.06590	4.2
67.23789	0.8
69.03430	1.3
85.02903	3.7
99.04434	1.4
104.38074	0.9
109.02863	1.4
116.93861	0.9
127.03873	1.2
131.07327	18.4
132.08124	1.6
132.10942	0.9
132.87282	0.9
144.08078	20.3
145.08864	10.4
157.08879	8.0
158.09662	2.1
170.09637	10.1
171.10373	2.2
181.08846	4.8
182.09665	7.5
183.10442	7.3
184.11218	22.6
194.09610	3.6
195.10420	5.4
196.11238	1.2
197.08345	23.5
198.12737	2.1
201.14015	1.0
202.14572	1.5
205.08714	1.1
210.12773	34.6
211.09819	1.5
212.10709	100.0
226.12247	14.2
230.11754	33.1
238.12244	31.0
244.13197	3.6
256.13315	40.8
283.64395	1.0
287.17661	6.6
356.14905	8.4
358.16418	1.7
374.15970	11.8
382.16364	1.0
392.17007	20.9
400.17584	6.9
406.18497	1.2
418.13193	1.3
418.18634	25.2
449.22723	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10350	0.5
56.09671	0.4
70.06588	1.4
70.49081	0.5
72.08135	3.5
77.77174	0.5
81.67231	0.5
84.05628	0.7
84.08090	1.1
98.06026	1.0
115.08718	0.6
120.08109	0.7
129.21115	0.5
144.08086	77.1
145.08916	4.8
158.09579	2.0
163.03905	0.8
168.04068	0.6
170.09642	71.8
171.08974	1.1
171.10405	16.5
173.10786	2.7
186.09062	0.6
187.12337	5.7
188.13083	29.5
197.95944	0.5
224.10686	2.5
269.16464	6.9
287.17523	1.4
449.22852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	1.0
69.03436	1.8
79.15726	0.2
81.03399	0.3
85.02494	0.3
85.02912	4.0
87.04509	0.2
92.56657	0.2
97.02905	1.8
99.04441	1.5
109.02879	0.6
127.03932	1.8
130.06441	0.3
131.07317	11.7
132.08081	2.7
144.08098	4.9
145.08856	7.6
146.09641	0.5
157.08855	10.2
158.09662	2.0
163.07582	0.2
170.09599	1.4
181.08821	0.6
182.09668	2.1
183.10422	4.2
184.11217	10.4
194.09679	0.6
195.10411	2.5
196.11240	0.5
197.08380	9.3
197.12097	0.3
198.12865	0.9
210.12782	18.1
211.09991	0.5
211.13570	1.6
212.10709	51.1
212.14259	2.8
224.10706	0.4
226.10222	0.4
226.12254	6.9
228.13861	0.4
230.11758	69.8
238.12245	11.2
244.13313	10.5
254.11557	0.3
256.13312	100.0
272.58206	0.3
287.17538	27.6
356.14835	0.4
374.15955	3.9
388.17914	0.3
392.16959	1.7
400.17551	0.3
418.18637	4.2
449.22824	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21738	0.6
59.61581	0.6
65.25823	0.7
69.03419	0.7
72.87014	0.7
85.02912	5.4
87.04655	0.8
88.24066	0.9
92.40809	0.8
97.02869	1.0
99.04470	1.7
128.16452	0.7
131.07307	10.9
132.08098	2.9
144.08098	6.3
145.08856	9.2
157.08879	11.3
158.09695	1.3
160.07411	0.8
170.09581	4.1
182.09636	1.2
183.10370	3.9
184.11194	8.2
186.09155	0.9
188.13120	0.9
195.10428	1.1
197.08371	7.4
198.12724	1.1
210.12747	15.1
212.10709	43.3
212.14018	1.4
226.12331	5.0
230.11761	73.3
238.12230	8.0
244.13292	11.0
256.13321	100.0
269.92505	0.7
287.17557	30.9
291.99802	0.8
392.16672	1.4
418.18463	1.2
421.32764	0.7
449.22675	50.5
451.52399	0.8
454.83438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
57.06831	1.2
57.07088	21.8
64.15434	1.2
65.03943	2.5
79.42832	1.1
83.04987	60.2
85.22227	0.9
90.15373	1.0
91.05481	1.6
98.98515	1.4
123.47738	1.0
141.07008	2.1
144.08089	5.3
147.11751	4.8
151.01526	7.5
159.08087	2.1
163.01537	8.9
170.09676	13.2
171.10025	9.1
172.10811	1.8
175.01584	5.8
181.02582	1.2
203.15002	1.9
227.04695	5.3
239.04594	1.7
260.99261	9.2
336.98273	2.3
337.02365	70.6
393.08636	100.0
433.69003	1.1
449.14978	31.1
449.26077	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	449.1597
Annotation	Cycloartomunoxanthone
Peak:m/z	Relative Intensity
52.92442	0.3
58.46976	0.3
70.62269	0.4
90.65582	0.3
94.11808	0.3
125.53529	0.3
135.04417	39.0
164.16972	0.4
215.07164	0.4
241.04953	0.5
243.06516	0.5
267.06152	0.5
285.07626	0.8
302.07941	1.5
307.15466	0.5
403.06488	0.8
403.11737	21.3
417.13397	1.5
419.11368	1.7
433.12921	2.0
434.13321	0.7
449.16000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83902	0.4
57.07066	0.4
67.37980	0.5
79.05501	1.8
81.07060	1.8
83.08601	0.5
88.31255	0.4
91.05486	0.6
95.04976	0.7
97.06523	0.8
99.83051	0.5
103.05469	0.6
105.07038	100.0
107.08617	0.5
118.22562	0.4
120.08102	0.7
122.09646	2.4
136.06204	13.3
147.11742	0.5
170.09589	0.9
184.13333	0.8
198.63148	0.5
234.64223	0.4
256.21402	0.6
274.22626	0.8
288.16302	0.8
288.19565	18.9
289.58923	0.4
302.21362	0.5
306.20636	50.2
321.40421	0.5
430.29596	6.2
448.30582	41.1
460.51297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35407	1.4
55.01865	1.9
68.99792	12.8
69.12025	1.5
70.06595	1.7
71.01319	2.4
72.08153	11.1
75.09808	1.5
75.42052	1.6
79.05471	3.1
81.07079	2.2
91.05494	19.8
93.03403	2.3
95.04970	7.0
98.71138	1.6
105.03336	2.2
107.04948	8.0
111.04428	2.1
117.03366	3.4
119.04946	10.0
121.02865	4.1
121.06514	2.5
123.04421	7.2
125.05953	2.1
128.31198	1.7
133.02849	9.2
133.06487	9.9
135.04431	12.2
136.56058	1.9
137.05968	17.1
139.07542	3.9
140.04707	2.2
147.04405	8.5
149.05957	1.9
151.07518	6.7
153.05467	19.9
155.06989	7.4
160.07581	1.7
161.06013	2.2
163.03886	37.2
164.07077	2.6
165.05478	28.7
166.06267	9.4
167.06990	9.2
177.05476	11.1
179.07047	2.3
180.04196	11.1
180.07817	30.1
181.04956	56.8
186.09157	7.2
187.09686	3.4
193.04982	9.1
195.06549	19.8
204.08604	1.8
204.10594	1.8
204.12860	1.9
207.06561	12.2
208.07306	51.2
208.09210	2.8
212.10783	3.7
219.06458	2.4
223.05997	100.0
225.07559	61.7
226.08362	37.9
449.13855	3.0
449.22754	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	449.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
62.06215	1.4
65.03921	1.4
68.99786	9.8
71.01354	1.4
72.08142	1.4
79.05506	5.3
81.07046	1.4
84.04498	2.6
91.05484	15.3
93.03419	2.0
95.04965	5.8
103.77991	1.4
105.03423	1.7
105.07076	2.6
107.04976	5.8
109.02891	1.3
109.06513	2.2
111.04427	2.1
117.03394	2.4
119.04942	5.7
121.02851	2.6
121.06516	4.5
123.04401	6.1
125.06018	5.5
133.02850	6.1
133.06476	9.8
135.04448	9.8
137.05969	15.7
139.07532	1.8
140.04694	2.3
145.02901	1.5
147.04424	6.9
149.06027	2.3
151.07487	4.6
153.05466	19.2
154.06223	2.7
155.07021	5.4
161.05971	11.0
163.03897	29.9
164.04727	1.5
165.05452	26.9
166.06274	7.9
167.07063	6.9
170.09622	2.6
171.11717	1.3
175.11197	1.9
176.04765	1.9
177.05438	9.9
179.07047	1.7
180.04175	13.0
180.07825	26.1
181.04951	61.7
189.12726	2.1
190.52602	1.2
193.05037	8.9
195.06523	20.7
207.06456	11.0
208.03741	2.1
208.07315	55.4
217.12262	6.2
223.06006	100.0
225.07590	54.9
226.08325	27.9
357.09521	1.6
431.25427	7.5
449.14716	1.5
449.26709	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	448.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74788	0.6
67.05509	1.0
71.08625	1.2
77.37106	0.6
79.05500	0.9
81.07071	2.7
83.08633	0.7
85.06561	0.7
87.04485	1.2
92.17796	0.8
95.04967	0.9
97.06557	1.2
97.23981	0.6
104.16628	0.6
105.07059	1.4
123.68040	0.6
126.82029	0.6
135.11742	1.1
136.06197	100.0
144.08159	1.1
163.11276	0.9
170.09637	5.5
171.10481	1.2
375.75732	0.7
402.16476	0.8
430.16144	1.0
430.23737	0.8
448.29364	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37405	0.1
54.45039	0.0
55.82154	0.1
58.06360	0.1
58.06613	1.6
58.28316	0.0
61.60225	0.0
65.13464	0.1
70.06582	0.1
71.07365	0.1
72.08162	0.9
81.51065	0.1
82.06587	0.1
82.93819	0.1
88.07619	0.2
90.09197	2.2
92.17815	0.1
97.08903	0.1
102.09205	0.1
107.04948	0.3
109.10105	0.1
131.07234	0.1
135.07011	0.1
135.08057	4.1
144.08092	27.9
145.08890	1.0
146.09589	0.1
158.09648	1.5
159.10445	0.5
160.11220	0.1
163.97084	0.1
170.09650	100.0
171.10425	23.2
172.11221	0.2
173.09651	0.4
185.12213	0.1
186.11513	0.5
187.12314	0.8
191.10718	0.1
201.11946	0.1
201.13876	5.0
202.14658	16.9
209.08249	0.1
209.11737	1.2
223.19394	0.1
301.18835	0.1
343.08191	0.1
448.26077	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98634	0.3
58.06360	0.3
58.06610	5.8
65.59105	0.3
70.06591	1.4
72.08159	10.2
88.07642	2.4
90.09196	20.3
91.24976	0.3
102.09178	1.6
107.04951	2.5
135.08060	46.6
161.09528	0.5
173.09558	3.5
176.77606	0.3
181.95987	0.3
191.10684	3.1
209.11716	13.7
235.72942	0.4
354.75955	0.3
404.24115	0.5
448.26953	100.0
470.52734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2597
Annotation	Marcfortine C
Peak:m/z	Relative Intensity
58.06607	0.4
69.97057	0.3
71.34808	0.4
80.84217	0.4
93.03381	0.4
95.06459	0.3
105.96811	0.4
114.41743	0.4
144.08083	26.3
145.08844	0.8
158.09627	1.9
170.09644	100.0
171.10426	22.3
187.12233	0.6
201.13820	5.1
202.12726	0.5
202.14662	17.9
448.25961	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2598
Annotation	Marcfortine C
Peak:m/z	Relative Intensity
52.70644	0.2
58.06598	0.6
58.22577	0.3
63.02350	0.3
73.22074	0.3
78.75653	0.3
79.51665	0.4
81.88033	0.3
89.03902	0.4
95.04954	0.4
95.33021	0.3
96.47074	0.4
100.81492	0.3
113.97868	0.3
144.08084	27.4
145.08833	0.7
158.09645	2.4
159.10449	0.4
170.09639	100.0
171.10413	23.4
172.11234	0.3
186.11658	0.3
187.12315	0.4
201.13887	4.7
202.14650	16.3
220.08226	0.4
298.90509	0.3
308.73047	0.3
375.53641	0.3
448.25949	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17009	0.4
50.52588	0.4
58.06594	0.5
58.31490	0.4
65.42603	0.4
68.14005	0.4
75.90051	0.4
144.08093	28.0
145.08916	1.2
158.09674	0.8
170.09656	100.0
171.10440	23.9
187.12309	0.6
201.13910	6.2
202.14679	18.1
231.42020	0.5
238.86772	0.6
256.79739	0.5
257.42325	0.5
336.70313	0.6
345.80139	0.5
437.81375	0.5
448.25977	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	448.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.6
63.96803	0.3
76.77915	0.3
92.17945	0.5
95.04917	0.5
115.05476	0.5
144.08090	28.7
145.08868	1.3
154.06552	0.4
158.09651	1.3
170.09642	100.0
171.10428	21.6
171.11618	0.4
172.11183	0.4
187.12347	0.4
201.13857	5.7
202.14656	18.9
228.29269	0.3
249.38776	0.3
252.23500	0.3
291.35532	0.3
314.06577	0.4
418.77341	0.4
448.25964	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2597
Annotation	Marcfortine C
Peak:m/z	Relative Intensity
58.06584	0.7
58.79389	0.5
59.63217	0.5
60.06667	0.4
65.02253	0.5
65.63127	0.5
70.06586	0.9
72.29957	0.5
79.38148	0.4
85.26528	0.4
92.18528	0.5
92.75527	0.4
144.08086	27.1
145.08873	0.8
158.09650	14.5
162.69960	0.5
170.09637	100.0
171.10413	23.6
181.12238	0.7
184.11244	1.1
196.11224	0.6
199.12299	0.8
200.12926	0.6
201.13869	7.7
202.14642	18.3
202.16396	0.9
301.19138	2.4
389.45197	0.6
415.85052	0.6
448.25958	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	0.7
69.40276	0.4
109.56615	0.4
144.08086	27.2
145.08910	0.8
150.81787	0.4
158.09680	2.0
170.09639	100.0
171.10422	35.1
173.10690	0.5
201.13876	8.4
202.12686	0.6
202.14656	35.8
384.22821	13.3
448.22653	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.8
63.43663	0.7
63.82782	0.7
67.05492	0.8
69.03431	1.2
69.07061	1.5
69.26071	0.7
70.06596	5.1
71.04998	2.6
72.08158	5.2
79.05498	1.4
81.07051	3.1
83.04987	3.3
84.04522	0.9
84.08144	0.9
85.02913	7.8
85.06544	0.9
86.09214	1.1
86.09712	25.3
91.05476	2.9
93.07056	5.8
95.04967	3.6
95.08598	3.6
97.02884	0.9
97.06534	2.8
99.04448	1.6
101.07162	0.8
105.01883	1.0
105.07037	5.8
107.08607	7.4
109.02900	1.2
109.06525	1.2
109.10168	1.6
113.07131	0.7
114.10320	4.2
119.04967	1.0
119.08591	12.8
120.08149	1.3
121.06481	1.3
121.10137	3.2
123.04443	1.1
123.08084	0.8
125.05978	1.6
127.03896	1.3
131.08597	4.9
133.10153	5.6
135.08060	4.4
137.06015	1.0
137.09604	1.7
143.08574	4.7
145.02766	0.8
145.04942	0.8
145.10110	3.4
147.08061	16.1
147.11690	2.8
148.08849	0.8
149.09633	15.1
150.05803	1.0
151.11183	3.4
153.05568	0.8
157.10114	9.2
159.07979	1.0
159.11714	7.7
160.09683	1.1
161.09602	4.3
161.13248	0.7
163.03886	3.4
163.11191	3.8
165.09116	34.0
167.10696	7.7
170.10857	1.0
173.13239	3.8
175.11209	13.1
175.14857	3.0
177.05533	1.7
179.10684	14.1
185.13284	11.9
187.14799	1.4
189.12785	1.4
191.14331	1.0
203.14330	15.4
207.13835	0.8
209.15273	0.9
215.14285	4.8
221.15364	18.1
233.15363	8.9
242.15022	1.4
251.16417	100.0
254.11461	1.1
258.16943	0.8
269.17361	1.5
299.17197	0.8
316.17545	1.2
320.16443	1.3
413.21722	7.2
431.22894	1.3
448.22324	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	448.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03192	0.3
60.05637	0.8
70.06282	0.4
70.06596	6.4
71.32261	0.4
72.08167	3.6
84.08140	0.8
85.02908	0.5
86.09667	0.5
95.04955	0.7
102.38631	0.4
111.05554	3.6
120.04473	3.0
122.75446	0.5
126.06602	0.8
130.04985	0.5
131.26265	0.5
132.04472	7.1
134.06020	4.2
151.06110	1.0
163.03911	2.0
168.08833	2.1
199.16492	0.4
202.09837	4.2
208.64009	0.4
216.11284	3.4
230.09244	6.8
231.12521	0.7
232.10913	1.5
242.09232	2.1
257.10330	1.8
259.11899	99.0
276.41461	0.4
277.12921	2.4
284.11438	12.9
298.93945	0.4
301.10880	0.5
301.13940	4.1
302.12473	37.2
319.15125	0.9
362.18112	1.5
388.15308	0.5
390.46118	0.5
404.19098	2.2
406.17218	16.1
431.16922	0.6
448.19357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86071	0.3
62.45105	0.3
70.06592	0.6
71.08639	14.3
72.08167	1.8
74.52953	0.3
84.08131	0.4
86.09712	1.6
88.11275	100.0
116.42027	0.4
151.04999	0.3
177.05673	0.4
198.00085	2.7
241.23967	0.4
268.00861	0.3
275.35074	0.3
313.44559	0.3
320.88425	0.3
378.13086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96338	0.3
58.06602	0.5
64.17251	0.3
72.08119	0.4
96.57110	0.3
98.58655	0.3
145.16133	0.3
160.07573	34.2
161.08366	0.4
164.07094	0.7
170.09628	1.6
174.09157	0.7
175.09879	0.5
186.09145	100.0
187.09926	29.6
202.11092	0.7
203.11861	0.4
217.13350	5.2
218.14143	18.0
243.83450	0.3
448.22647	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2206
Annotation	Trp Glu Ile
Peak:m/z	Relative Intensity
53.85484	0.5
54.16192	0.5
66.15369	0.6
81.07044	0.7
138.06175	0.5
161.13251	1.1
209.55205	0.5
255.21214	0.6
273.22144	1.4
275.07272	0.9
335.09543	1.2
379.27521	0.6
429.50610	0.6
447.22009	100.0
461.48169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52985	0.6
57.03435	0.8
57.07063	3.2
58.06358	0.7
58.06607	13.5
59.07384	4.0
60.08168	6.3
62.08787	0.6
66.44446	0.6
67.05511	0.9
69.07056	0.6
71.08631	2.7
75.04480	0.9
81.07047	2.9
85.02908	1.5
85.10186	1.5
87.04462	1.4
95.08585	1.3
96.06754	0.7
104.71767	0.6
109.23306	0.6
113.05975	0.9
144.10219	10.5
162.11307	1.1
184.91109	0.8
186.46689	0.6
227.37097	0.6
236.14922	100.0
285.24301	2.5
373.55588	0.7
384.34833	1.5
428.33508	9.6
446.34772	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	447.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86605	1.2
52.38703	1.3
53.69791	1.6
60.07906	1.3
60.45757	1.3
72.08149	3.1
74.81048	1.5
79.04316	1.6
79.05505	3.4
88.72499	1.6
91.05471	6.0
93.07061	3.3
93.73399	1.6
107.04958	31.8
111.04455	1.8
114.09143	2.2
119.04932	1.9
121.06511	11.2
123.04423	3.7
124.05209	2.8
129.06995	27.6
131.04927	6.3
131.08568	17.7
133.06531	1.7
135.08070	3.1
137.06001	16.1
143.08583	2.7
145.06569	1.9
148.05121	1.7
149.05986	3.1
151.07545	9.8
153.05479	7.3
155.07036	2.4
157.06480	28.3
159.08006	3.8
161.05974	26.4
161.09575	20.2
163.03886	1.7
163.07547	10.2
166.06224	2.9
167.07048	46.5
167.08421	3.0
170.09651	6.9
171.10497	1.7
174.06749	14.5
175.07523	8.1
177.05518	2.0
177.09166	1.8
179.06995	2.4
181.08612	44.8
184.19949	2.1
189.09108	100.0
191.10678	2.7
195.08002	11.2
205.06596	2.3
205.62675	1.6
219.08023	3.5
223.07651	13.4
223.11238	6.6
236.08321	3.7
237.09070	2.8
240.07867	2.4
251.07062	7.2
251.10678	9.6
253.08652	2.7
255.10152	10.1
265.08563	2.5
268.10901	2.1
269.08032	2.4
275.09161	1.9
279.10162	6.5
281.08032	2.3
283.09827	14.0
283.13315	11.2
283.97260	2.0
285.07639	3.0
293.10172	23.3
296.10449	1.8
297.11172	8.6
299.09171	3.6
300.09808	1.7
302.11615	3.8
311.12918	11.8
313.10632	1.9
315.12360	28.0
343.15375	36.8
361.16376	9.4
385.16312	1.6
411.14288	11.9
429.15518	12.2
447.16400	47.0
447.21997	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	446.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.2
62.44678	0.2
64.76762	0.2
67.05510	0.4
67.19866	0.2
68.34545	0.2
69.07062	0.6
79.05500	0.5
81.07070	2.3
81.11234	0.2
83.04990	0.3
91.05515	0.4
93.07047	1.2
95.04976	0.3
95.08609	1.1
97.06555	0.5
99.98995	0.2
105.07047	0.4
106.27180	0.2
107.08595	0.4
109.10179	0.3
119.08595	0.5
121.10176	0.3
136.06195	100.0
147.11710	0.5
162.07751	0.3
200.52777	0.2
204.12437	0.3
247.84485	0.3
374.69513	0.3
383.74127	0.2
407.38089	0.2
428.26416	0.4
446.27652	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	446.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47588	0.3
50.92218	0.3
55.05512	0.4
55.45551	0.3
57.03444	1.0
61.02919	0.4
66.69166	0.4
69.03439	7.4
70.48190	0.4
81.03435	0.8
83.04982	2.4
85.02909	2.0
91.03922	0.5
91.05468	1.7
97.76042	0.4
99.04458	0.7
107.08601	14.3
111.04414	3.1
112.43582	0.5
117.07017	0.4
119.08583	100.0
129.05449	2.9
133.06500	1.8
135.08060	31.9
139.67108	0.4
147.06499	1.6
161.51251	0.5
184.69969	0.4
264.10706	0.4
281.13821	4.9
333.35223	0.5
415.21158	21.0
417.00552	0.4
446.25488	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
58.06607	6.9
62.31413	0.7
69.34305	0.8
70.06579	3.7
71.74686	0.9
72.07880	0.7
72.08167	13.1
78.96853	0.8
82.95993	0.9
83.06110	3.7
84.08151	48.7
85.02900	1.7
85.66853	0.8
86.09706	1.2
87.04469	1.6
98.06024	1.8
101.10767	4.1
102.97974	1.0
116.44373	0.9
129.10210	1.0
147.62204	0.9
152.05684	26.3
177.05452	1.1
178.04980	4.5
187.08670	1.9
188.07051	1.2
190.05023	4.1
201.06615	16.5
202.04987	0.9
213.06537	3.2
215.08133	11.3
216.06580	12.3
227.08163	9.0
228.06631	1.1
242.02785	0.9
242.09338	2.0
243.07643	52.1
254.09247	3.9
255.07617	24.2
257.09259	1.2
270.08554	1.4
272.10294	5.4
284.26797	0.9
314.14999	1.9
326.14990	4.0
341.16064	15.5
343.17566	14.0
402.24948	21.7
407.57187	1.0
446.24011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05526	3.1
60.04514	1.2
60.05658	0.9
67.05512	1.2
69.03440	8.4
69.07053	1.9
70.06608	6.8
71.05002	1.2
72.08154	7.4
79.05492	4.0
81.03447	0.8
81.07072	24.8
83.04988	6.4
84.04501	1.0
84.08134	7.6
85.02918	17.8
85.06586	1.3
85.61996	0.8
86.09707	12.4
91.05499	1.9
93.07057	8.0
95.04966	4.6
95.08606	1.8
97.02897	1.5
97.06537	4.7
99.04457	3.8
105.01883	1.1
105.07043	12.7
107.04966	1.3
107.08599	13.1
109.02877	4.2
109.06526	16.8
109.10184	1.2
111.04452	4.6
113.06039	4.5
114.10261	1.4
119.08605	9.1
121.06509	7.7
121.10172	9.2
123.04465	1.5
123.08067	4.5
125.06003	13.8
127.03934	1.5
127.07618	6.2
128.10751	0.9
129.10201	0.9
131.08565	8.9
131.47916	0.8
133.06113	1.4
133.10167	4.4
135.08070	3.1
135.11708	3.8
137.05974	3.9
139.07542	1.8
143.07108	0.8
143.08588	4.1
144.08124	1.5
145.10139	17.5
147.08078	5.2
147.11705	9.2
149.09619	13.9
151.07550	3.3
156.09372	1.4
157.10167	1.6
158.07269	1.0
159.11734	3.7
161.09619	13.0
161.13255	3.4
163.03923	5.2
163.11171	12.8
165.09097	1.5
165.12746	1.5
169.08673	1.6
170.09647	7.2
171.10342	3.0
171.11728	5.2
173.08250	1.5
173.09644	14.6
173.12869	7.6
185.13269	1.6
189.12762	22.0
191.10672	18.9
195.10110	1.0
195.11717	0.9
201.12567	1.4
202.14635	1.3
203.14320	1.2
210.68396	0.8
213.12785	4.2
219.13736	1.1
229.12064	1.3
231.13805	24.8
234.22227	0.9
242.08125	0.8
246.14511	1.9
249.14861	100.0
402.20599	5.1
411.19952	4.1
446.23657	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	446.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22591	0.2
55.05523	0.3
67.05518	4.0
68.05012	0.3
69.03445	0.3
69.07075	8.4
70.06599	100.0
71.04984	0.3
72.08151	0.6
78.85588	0.3
84.08175	1.7
85.02921	1.5
85.58739	0.3
94.06580	2.7
95.04976	8.7
96.08092	0.3
96.86971	0.3
97.02897	0.6
109.02892	0.7
109.06562	0.3
110.06081	0.3
112.07610	20.0
113.06039	0.7
114.10265	0.4
123.04473	0.3
127.03958	1.6
130.08643	2.9
136.07619	0.6
144.08133	1.1
145.05028	0.3
154.08615	2.1
163.03951	1.6
170.09618	3.5
171.10466	0.5
174.07607	0.4
178.08649	0.3
202.14777	0.4
202.86116	0.3
214.17285	0.3
220.09814	0.6
238.10782	0.7
256.11926	1.6
268.78293	0.3
274.12891	7.0
274.22729	0.4
292.14011	0.7
300.10880	0.3
305.16946	0.3
318.11902	2.5
402.24951	7.1
446.23941	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
67.05521	2.8
69.07078	7.2
69.89285	0.3
70.06596	100.0
72.59548	0.3
81.07011	0.3
81.47841	0.3
82.06590	0.3
82.69162	0.3
84.08168	1.2
85.02906	1.2
94.06572	2.1
95.04976	7.1
96.42542	0.3
97.02892	0.5
103.81834	0.3
105.31808	0.3
106.98682	0.4
109.02921	0.5
110.06110	0.5
112.07607	18.5
121.10007	0.3
124.07687	0.4
127.03924	0.7
130.08618	2.8
136.07597	0.4
139.90077	0.3
147.97585	0.3
149.09711	0.3
154.07384	0.3
154.08647	1.5
178.08714	0.4
186.89923	0.3
220.09685	0.6
238.10870	1.5
256.11972	1.1
274.12875	5.7
274.22620	0.6
292.13843	2.2
300.10910	1.2
318.11798	3.5
336.13000	2.1
402.24823	6.2
446.23984	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	446.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55969	0.2
60.09216	0.3
64.58113	0.3
65.67864	0.3
72.08154	1.1
85.02928	0.6
93.07009	0.3
99.94750	0.3
103.05475	1.8
103.81857	0.3
107.04974	0.6
107.27020	0.3
113.05961	0.3
120.08103	100.0
131.04929	2.8
149.05995	3.3
151.03877	1.3
152.04173	0.4
163.03894	3.0
164.04349	0.4
166.08629	61.3
169.04958	1.1
335.88486	0.3
446.14737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.229
Annotation	AM-toxin I
Peak:m/z	Relative Intensity
58.06600	0.6
65.67901	0.4
72.93583	0.4
79.95766	0.4
102.66566	0.4
125.61694	0.4
128.51357	0.4
135.35855	0.4
160.07581	37.7
161.08344	0.7
170.09660	1.0
174.09181	1.6
184.07019	0.4
186.09148	100.0
187.09929	33.1
217.13351	5.3
218.14134	18.9
272.25818	0.5
280.87299	0.5
328.64780	0.5
446.22867	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35645	0.3
54.92146	0.3
65.95584	0.3
68.49780	0.2
70.06596	0.6
72.08145	2.3
72.46136	0.3
79.34334	0.3
81.10526	0.3
103.05470	9.4
105.87177	0.3
127.47600	0.4
131.04929	100.0
150.88481	0.3
163.07536	45.3
181.98149	0.3
206.86858	0.3
224.25267	0.3
232.21016	0.3
261.18765	0.3
264.34805	0.3
284.09573	0.4
446.20212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85595	2.0
63.69701	2.0
69.07076	8.8
72.08150	2.6
79.05484	3.2
81.07069	100.0
84.70732	2.0
92.17783	2.9
93.07033	3.0
95.08609	10.3
96.03346	2.3
97.10164	2.2
105.07071	8.0
107.08605	11.8
109.10155	8.9
112.14193	2.0
119.08586	5.7
121.10139	8.9
123.11736	2.3
133.10173	3.0
135.11740	4.4
145.10110	3.9
147.11673	9.1
151.11226	2.8
159.11641	8.4
161.13235	11.3
163.03986	2.7
173.98672	2.1
192.92439	3.0
215.17975	4.8
255.21117	13.6
265.29129	2.4
273.22122	18.7
427.32217	10.2
445.27585	9.1
445.37027	73.5
445.71222	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10977	0.9
54.13404	1.1
65.31568	1.1
81.07084	1.3
85.10126	1.1
95.08607	1.9
96.31685	1.2
97.31851	1.5
107.08607	1.7
109.10147	1.6
121.10101	1.2
135.11736	2.3
145.10181	1.4
147.11728	11.4
159.11688	5.0
159.86707	1.3
161.13248	56.8
163.11273	1.8
166.69974	1.6
213.16420	1.8
255.21072	33.2
273.22128	100.0
309.22461	1.2
445.36960	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	445.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36053	0.6
61.33189	0.7
64.85625	0.6
65.45424	0.6
69.07073	1.0
78.08615	0.6
79.05511	0.7
81.07059	3.6
87.08095	1.0
90.13578	0.5
91.05512	0.7
93.07015	0.8
95.08586	4.3
97.10159	0.7
105.07014	3.0
107.08594	6.3
109.10175	5.2
119.08562	3.8
121.04585	0.7
121.10161	5.1
123.11691	1.1
125.09669	0.9
128.52843	0.6
131.08549	1.3
133.10121	3.8
135.11694	4.1
137.03619	0.7
137.05963	0.9
144.08092	3.1
145.10092	4.7
147.11700	8.3
149.13190	1.0
151.11191	4.0
153.09068	0.9
157.10226	0.8
159.11688	6.6
161.13246	42.8
163.11198	1.5
167.07059	2.6
170.09627	12.9
171.10403	3.4
173.13258	4.0
175.11208	1.3
175.14697	0.9
179.10703	2.9
199.14821	2.5
201.08447	0.8
201.16475	1.1
202.14708	1.3
215.17970	21.3
221.28000	0.7
227.17918	1.0
233.19034	3.4
255.21063	33.3
271.20483	3.2
273.22119	100.0
313.25449	0.7
323.23706	1.5
324.87308	0.7
326.11682	0.9
341.13696	0.8
341.24637	1.3
357.63281	0.8
381.31702	1.3
399.32544	3.8
409.31250	2.8
427.32059	21.7
433.01657	0.8
445.14581	1.4
445.23663	9.8
445.33099	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10559	1.1
81.07063	1.9
84.08121	2.2
86.09698	1.5
93.07049	2.5
95.08600	8.2
97.10188	1.3
105.07031	3.0
107.08620	9.9
109.10146	6.3
110.07052	1.3
119.08576	3.1
121.10136	5.4
123.11725	1.4
131.08565	1.7
133.10136	6.3
135.11719	5.0
137.05977	1.6
144.08118	1.5
145.10152	3.1
147.11697	10.7
149.13287	1.7
151.11150	2.8
159.11668	11.2
161.13248	49.4
170.09656	8.2
171.10344	2.2
173.13237	4.6
175.11230	2.5
179.10562	1.4
187.15048	1.5
213.16335	1.5
215.17958	23.8
229.16020	1.4
233.19167	2.7
234.99153	1.4
253.19453	1.9
255.21065	37.1
271.20511	2.1
273.22116	100.0
285.18683	1.7
288.93155	1.2
313.25247	1.7
371.93030	1.3
399.32230	4.5
427.32272	22.0
445.15994	1.8
445.23120	2.8
445.33258	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	445.3318
Annotation	Phorbasterone B
Peak:m/z	Relative Intensity
63.46918	2.0
63.66650	2.0
68.91801	2.1
69.07079	3.5
84.71101	2.2
93.07050	3.1
95.08631	4.8
97.06538	62.4
109.06518	51.2
123.08054	4.1
131.08562	2.3
142.40482	2.4
143.08510	2.6
145.10130	4.2
147.11711	3.8
159.11667	5.5
161.13269	9.8
173.13261	36.0
200.73192	2.6
204.09183	3.0
251.18039	3.1
269.19037	25.4
381.31674	2.7
427.32123	4.5
445.33182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3316
Annotation	Gibberoketosterol B
Peak:m/z	Relative Intensity
51.24707	0.6
54.19398	0.7
55.05511	1.3
59.85669	0.7
67.05503	1.1
69.07077	1.8
79.05464	1.2
81.07074	5.6
85.02914	0.7
87.08134	2.3
87.43482	0.7
91.05532	1.1
92.16653	0.7
93.07015	1.3
95.05006	0.9
95.08624	7.9
97.10185	1.2
105.07040	4.9
107.08604	10.8
109.06584	0.7
109.10159	8.1
115.05482	0.7
116.03552	0.7
117.07053	0.7
119.08578	5.0
121.10190	5.5
123.08049	0.7
123.11728	3.8
125.09600	1.1
127.73270	0.7
131.08568	2.7
133.10176	5.2
135.11702	5.5
137.09607	1.3
145.10150	6.0
147.11736	10.7
149.13249	1.6
151.11165	6.0
157.10062	1.2
159.11684	10.1
161.13263	44.7
163.03917	0.8
163.11203	2.9
173.13249	5.3
175.11186	3.0
175.14847	1.0
179.10706	2.9
184.60225	0.7
185.13255	1.1
187.14873	2.8
189.16357	0.8
199.14867	3.1
201.16455	0.7
213.16365	1.6
215.17958	32.2
217.15807	0.7
233.19046	5.0
253.19492	2.6
255.21074	36.6
271.20569	3.0
273.22137	100.0
281.20605	0.8
289.21655	0.7
313.25363	1.6
341.24716	3.7
359.26001	0.8
363.30423	1.0
381.31454	3.0
391.30069	1.2
399.32770	5.9
409.31082	5.0
427.32135	30.0
445.20425	15.2
445.33145	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24644	0.5
50.74101	0.6
55.05515	1.2
55.41419	0.5
59.36694	0.5
65.80251	0.6
69.03407	0.7
70.06606	6.7
72.04516	1.3
72.08158	7.0
80.65338	0.6
84.08153	43.6
85.02912	3.2
86.09711	3.5
88.04002	0.9
88.82845	0.7
90.27148	0.6
93.07050	2.7
98.06044	2.8
98.09727	1.1
105.07040	4.5
107.08589	2.8
109.10187	2.8
114.09174	28.8
115.08692	6.0
119.08572	1.2
121.10153	3.0
123.11739	0.8
125.10759	1.5
127.03924	1.2
127.08678	7.2
133.10133	6.9
135.11722	7.0
143.11810	47.5
150.12781	1.5
157.09734	9.5
157.13354	1.1
161.09677	1.3
165.07318	1.1
167.08948	0.8
170.09703	0.8
179.10641	8.7
184.04321	1.4
193.13452	0.9
197.11696	18.0
198.99084	0.6
208.11674	0.9
212.44434	0.6
217.87936	0.6
245.07742	0.6
247.18137	1.4
248.16367	0.7
254.12123	2.5
263.21292	0.9
295.05850	0.7
307.05945	0.7
337.07312	2.4
356.12122	1.0
368.12119	2.8
386.13269	4.2
427.10199	1.3
445.24905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	0.8
77.63676	0.4
85.66199	0.4
96.13169	0.4
103.11300	0.4
120.18116	0.4
128.02029	0.5
160.07582	38.5
170.09660	1.6
174.09128	0.6
186.09148	100.0
187.09929	35.9
202.11005	1.6
203.11816	0.7
217.13408	5.7
218.14159	24.7
317.18481	0.6
438.46814	0.4
445.24472	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2049
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
56.19533	1.4
58.25901	1.7
60.60370	1.5
84.96053	2.0
105.07056	2.5
114.09151	2.8
115.79533	1.8
170.09714	3.3
184.75192	2.0
196.44481	2.1
235.07791	2.2
273.22070	4.3
333.07901	7.8
445.14301	3.4
445.20435	100.0
445.33359	3.1
463.74979	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2051
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
53.38152	0.3
63.02958	0.5
87.30231	0.3
90.81069	0.3
92.17844	0.7
100.74648	0.3
107.36514	0.4
130.66350	0.4
201.03673	0.5
278.23752	0.4
333.07916	9.1
335.09390	0.4
445.20456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.5
57.03444	0.5
59.60267	0.3
67.05521	0.4
69.03447	1.4
69.06696	0.6
69.07072	16.4
69.85457	0.3
71.04989	0.4
72.08161	0.4
79.05535	0.3
81.03419	0.8
81.07071	8.0
84.04539	0.4
85.02924	2.1
85.06573	2.8
86.09712	0.6
87.00825	0.7
91.05487	0.4
93.07051	2.5
95.08614	3.7
97.02918	0.7
97.06528	3.4
97.10168	0.3
99.08145	0.4
100.22421	0.3
105.01859	0.8
105.07043	3.7
107.08605	6.6
109.02908	0.7
109.06528	8.0
109.10168	2.0
111.08085	3.8
119.08586	3.7
121.10143	6.2
122.38641	0.4
123.08071	3.8
127.03927	1.6
133.10161	0.8
135.11665	0.7
137.09622	1.8
137.13240	0.5
145.10092	0.5
147.11722	0.6
151.11192	0.8
155.08650	0.4
159.02884	0.5
159.11665	0.5
161.13263	9.6
174.68814	0.4
179.14310	100.0
197.15373	92.0
215.18005	0.6
253.16655	0.4
255.21100	3.8
273.22089	8.0
312.43079	0.3
323.47702	0.4
427.19662	0.4
427.31894	1.6
445.20529	2.1
445.27094	0.7
445.32877	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1972
Annotation	Catuabine F
Peak:m/z	Relative Intensity
55.05483	0.6
70.06602	7.1
72.08155	22.9
75.29899	0.6
76.42505	0.6
86.09675	1.7
89.10784	8.1
91.05453	1.1
98.06026	1.4
107.04966	1.0
111.04438	1.2
115.08695	1.1
119.04937	3.0
125.05982	9.1
135.04413	1.0
137.05986	11.5
145.02814	0.9
145.06471	0.9
149.05980	71.7
150.06738	7.5
151.03920	5.1
151.07535	2.8
153.05460	73.0
163.03894	16.2
170.09669	3.1
177.05479	10.1
178.06154	1.3
187.03900	22.1
195.06522	23.0
203.15047	1.0
231.19543	0.9
233.05901	1.0
233.10478	0.9
234.11241	1.0
239.20345	0.8
245.11212	1.2
251.07013	1.2
251.13889	5.9
265.08722	0.8
269.08218	1.0
279.06537	1.0
283.09604	1.3
293.08020	5.0
295.06042	0.7
310.97583	0.7
311.09140	16.1
315.08719	2.6
321.07645	1.2
325.07159	1.0
339.08759	1.2
357.09552	6.3
358.21902	1.4
386.21347	1.0
427.18652	0.7
428.17093	2.8
445.19733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33566	0.7
53.76189	0.7
55.05526	1.6
69.03435	1.8
69.91941	0.7
70.06595	8.3
72.08164	100.0
84.08150	1.4
85.02909	4.6
85.06564	3.1
86.09689	3.3
98.02422	3.5
98.06047	3.9
99.00854	1.5
106.07054	0.9
110.02411	54.5
114.10285	1.1
123.04433	1.7
127.03903	1.2
128.03424	6.1
130.08627	3.5
136.07599	0.9
137.06007	6.1
142.58362	0.9
152.07069	61.7
155.01616	1.0
160.07581	32.3
161.06029	1.7
161.08340	0.9
163.03882	6.3
167.07007	1.0
169.09717	36.5
169.11147	1.5
170.08145	19.9
180.06537	8.1
186.09146	95.7
187.09926	32.8
197.09308	1.1
217.13420	5.5
218.14145	17.8
226.76959	0.9
227.06955	0.9
258.08997	4.2
269.08261	1.1
279.06528	1.7
311.09042	1.4
339.54559	0.9
396.13910	1.0
427.18433	4.8
428.17017	4.5
445.19614	91.5
445.24664	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01870	0.6
57.03427	0.5
61.02906	0.3
69.03441	4.3
70.06583	0.8
71.04961	0.5
72.08170	2.8
73.02930	0.6
81.03426	3.9
81.07055	0.4
84.06129	0.3
85.02909	11.0
86.09678	0.4
87.00832	4.0
91.05476	0.4
92.17819	0.4
93.07059	2.9
95.04969	0.5
97.02906	3.9
99.04472	2.4
101.85261	0.3
105.01870	3.0
105.07037	0.7
105.24963	0.3
107.08601	11.3
109.02895	6.4
109.10167	0.4
114.10287	1.2
119.08574	0.4
121.06478	1.4
123.04453	0.4
127.03918	8.5
129.01953	0.4
133.10135	8.8
135.11702	20.8
135.12729	0.8
137.05983	0.7
137.09607	1.4
145.04976	1.7
151.11189	0.5
159.02861	1.6
161.09622	9.4
163.03889	1.5
163.98537	0.4
170.09637	0.5
179.10670	38.0
192.01343	0.3
197.11739	100.0
213.03963	1.2
223.68095	0.4
230.73323	0.3
231.04970	2.7
232.64323	0.3
240.64571	0.4
265.00418	0.3
272.09229	1.5
273.09570	1.8
315.10550	0.7
444.72000	0.5
445.16095	2.4
445.22485	7.3
463.28757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23415	0.3
57.31517	0.3
58.52874	0.3
67.05475	0.4
69.03445	3.5
69.07059	0.4
71.05004	2.7
72.55329	0.3
73.02921	0.4
81.03430	2.0
81.07050	0.4
83.04985	9.6
85.02916	4.3
87.00848	1.6
92.71020	0.3
93.44944	0.4
95.04944	1.6
95.08602	0.7
97.02913	2.9
97.05998	0.3
97.06529	3.1
99.04460	1.5
103.86272	0.4
105.01868	0.8
107.08600	1.7
109.02895	2.6
109.06515	4.3
109.10168	3.6
111.08080	0.7
113.06012	29.3
118.20386	0.3
119.08637	0.4
123.04463	0.4
123.08120	0.4
123.11720	0.7
127.03931	3.5
127.07564	1.4
133.10161	2.8
135.11690	0.7
137.09625	15.7
140.63719	0.3
141.05472	6.4
145.04944	1.4
151.11172	2.2
159.02855	1.6
161.09589	0.7
179.10669	10.8
197.11743	100.0
231.05058	0.7
242.30983	0.4
291.71454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03426	0.5
57.24154	0.3
61.02919	0.4
68.99803	0.4
69.03430	4.3
70.06580	0.7
71.04984	0.5
72.08160	3.2
72.08475	0.4
77.21835	0.4
78.89429	0.3
81.03411	2.9
85.02911	12.7
87.00842	3.2
89.10796	0.6
89.90102	0.4
91.03918	0.3
91.05431	0.4
93.07045	3.2
95.04958	0.7
97.02882	2.7
99.04438	2.5
105.01866	2.7
105.07005	0.8
107.08598	10.5
109.02888	5.0
109.06566	0.5
110.06092	0.4
119.08600	0.8
120.36007	0.4
121.06540	0.7
123.04438	0.8
123.11702	0.6
124.07565	0.4
127.03931	7.4
131.04930	0.7
133.10132	10.0
135.11694	21.1
136.07562	0.7
137.05965	1.5
137.09630	1.4
144.08066	0.4
145.04973	1.5
147.02986	0.4
151.11169	1.7
154.08627	0.4
159.02895	1.8
161.09612	10.2
163.03889	3.2
163.07567	0.5
164.07048	1.5
167.07025	0.5
170.09656	1.5
172.40005	0.4
179.10666	40.0
182.08144	1.5
192.27803	0.4
197.11731	100.0
213.04019	0.5
231.05019	0.8
234.11069	0.4
239.30161	0.4
251.13953	0.8
275.02097	0.3
413.20700	1.5
427.16309	0.5
429.71161	0.7
430.20969	0.5
444.71252	3.4
445.21704	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	445.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72793	0.7
58.80478	0.6
77.50653	0.6
85.02901	1.4
105.67846	0.7
110.50092	0.7
111.95543	0.7
123.67477	0.8
134.44225	0.7
158.42592	0.8
445.11102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1112
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
52.07434	0.8
54.57487	0.6
57.10455	0.6
59.58740	0.7
60.74398	0.7
64.95150	0.7
75.59162	0.8
75.96328	0.7
78.97269	0.7
85.74538	0.7
343.86313	0.9
445.11072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	54.7
61.66343	2.9
62.87350	2.7
63.52817	2.7
67.45023	2.8
81.69199	3.1
89.06033	57.7
93.07056	6.6
121.06499	85.0
133.08621	21.8
146.57956	3.0
147.08055	6.9
149.09631	3.3
159.11636	3.4
165.09128	22.1
233.19032	16.4
276.01022	3.6
315.18039	65.3
427.30536	100.0
444.33093	20.6
448.37674	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	444.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94763	0.5
54.59464	0.5
57.25849	0.5
61.97113	0.6
66.96341	0.6
70.06592	1.1
72.08167	5.8
86.06075	0.7
86.09713	0.7
86.73634	0.6
89.10802	0.9
94.68779	0.6
98.06091	0.9
107.05002	1.5
115.08746	1.1
122.05962	0.8
144.08087	26.4
145.08940	0.7
158.09628	1.2
163.03899	5.0
170.09641	100.0
171.10416	22.3
201.13852	5.2
202.14650	18.0
202.16385	0.8
228.07524	0.7
233.58893	0.5
314.09641	0.8
406.18063	0.9
429.20874	1.3
444.25320	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	14.6
56.38581	1.5
57.07085	81.4
59.05006	2.6
64.68268	1.2
67.26009	1.6
68.98182	1.3
83.08621	11.9
87.04468	2.1
89.05507	2.7
89.06035	67.7
92.17808	1.8
93.07061	10.1
95.56592	1.5
98.98470	9.1
101.09666	12.0
121.06503	79.2
131.07114	1.4
133.08597	21.5
143.01048	2.8
147.08076	11.9
149.09595	1.7
163.26334	1.6
165.09079	21.4
165.33234	1.5
177.12679	1.9
179.61113	1.4
188.53606	1.6
199.07283	15.8
209.11705	2.8
233.19002	15.5
277.21561	6.4
299.16159	36.4
315.18021	60.9
321.24353	1.7
399.25049	100.0
427.30536	88.5
444.33282	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
60.05643	0.9
70.06590	4.3
72.07759	0.7
72.08158	18.3
84.08128	1.0
85.02904	1.0
86.09702	3.6
92.14983	0.6
97.07653	1.3
98.06060	3.4
108.08088	0.8
110.06067	0.6
114.09132	1.4
114.10285	12.5
115.08688	1.3
119.29001	0.6
122.06051	0.9
122.43397	0.6
125.80894	0.6
131.12901	0.9
134.06015	3.4
136.07562	1.1
138.09151	1.1
144.08092	6.0
145.08424	4.9
153.05377	0.7
157.10876	2.5
157.22797	0.6
160.03911	3.2
163.03882	3.0
164.07057	3.1
168.06578	3.7
169.07384	0.9
169.42290	0.6
170.09656	4.5
171.10037	5.6
182.08134	1.2
188.12921	1.4
189.13411	1.1
219.06532	5.2
254.08252	0.9
256.09769	2.5
258.07556	5.1
259.08365	1.0
268.09744	0.7
272.09171	53.3
282.07666	8.6
284.60770	0.8
286.10724	2.6
288.12347	3.9
296.09280	3.5
300.08664	1.4
314.10208	20.8
321.26321	0.6
358.15543	0.8
385.17526	2.9
391.85355	0.7
412.19543	3.6
427.19653	3.5
428.70383	0.7
429.20291	4.3
443.71252	0.9
444.22241	100.0
444.71475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81867	0.3
53.44556	0.2
54.82850	0.2
59.90095	0.3
66.11864	0.2
69.57167	0.2
69.68018	0.2
70.06595	0.4
70.56861	0.2
72.65292	0.3
73.92205	0.2
83.82213	0.3
84.04503	0.4
93.57640	0.3
119.46362	0.3
130.05009	1.3
135.98981	0.3
151.59238	0.3
160.07574	0.5
162.89517	0.3
186.09134	1.2
211.07477	0.6
239.07063	0.4
250.13034	0.5
254.05681	0.5
261.08533	0.4
269.08084	11.6
273.07553	4.0
278.91241	0.3
282.05280	1.1
287.09137	40.5
292.10529	0.5
297.07581	100.0
301.07089	3.5
307.58627	0.3
315.08585	1.1
354.10452	0.3
384.15149	3.1
399.12344	0.3
410.68710	0.3
444.12680	1.0
444.28061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26045	5.2
62.20000	7.6
68.72916	5.7
70.74503	6.1
78.66854	5.5
93.07027	5.6
105.07075	5.9
106.75793	5.8
109.10143	6.3
135.11694	8.2
157.10136	31.5
159.11684	11.7
171.11737	10.0
201.84874	6.2
253.19498	70.6
271.20554	100.0
393.87891	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	443.3163
Annotation	Paeonenoide C
Peak:m/z	Relative Intensity
55.05510	2.1
56.69116	0.4
57.07080	0.7
62.55051	0.5
67.05495	1.1
69.07059	2.3
79.05488	0.7
81.03431	0.7
81.07059	5.2
83.08586	1.1
84.34411	0.5
85.02891	0.9
85.06514	0.6
87.08086	2.5
91.05450	0.5
93.07026	3.0
95.04984	0.9
95.08612	9.1
97.06522	3.0
97.10165	1.3
101.05826	0.5
105.07026	2.8
107.04956	0.6
107.08591	8.5
107.35487	0.7
109.06506	2.1
109.10176	6.4
109.40625	0.5
111.08060	0.5
119.08622	5.2
121.10133	5.8
123.08064	3.2
123.11722	3.3
125.09621	0.8
131.08578	1.3
133.06494	0.6
133.10144	5.5
135.11693	2.2
137.09599	1.1
143.08560	0.9
145.10115	3.6
147.11714	4.1
149.09665	0.7
149.13286	3.9
151.11218	4.8
151.12192	0.5
157.10147	4.5
159.08055	0.6
159.11670	5.8
161.09631	4.2
161.13261	47.5
163.11185	1.1
163.14792	0.6
165.09142	1.2
167.07059	0.7
168.77632	0.5
171.11664	2.5
173.13217	2.9
175.11214	5.9
175.14760	0.8
179.10674	2.7
185.09706	0.8
185.13219	2.1
187.14853	0.9
189.16345	0.6
193.12271	0.7
197.13226	1.3
199.14821	1.3
201.16425	3.4
201.80449	0.5
203.14212	0.8
211.14818	1.2
213.16367	6.8
231.17490	9.7
251.17984	1.0
253.19524	10.2
255.21028	0.8
269.18900	4.5
271.20572	100.0
273.22076	1.0
283.20432	0.8
287.20184	0.9
290.09537	0.8
291.10159	1.0
307.09723	0.6
311.23505	2.4
319.09555	0.7
337.10782	0.9
339.23001	0.8
351.12326	0.7
353.10135	1.1
355.22559	1.1
357.24155	3.2
368.12469	2.5
379.29852	3.3
383.14914	12.2
397.31140	3.8
407.29459	2.9
407.40506	0.6
420.21851	0.6
425.30539	26.3
443.17316	0.7
443.25961	2.0
443.31503	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	443.25
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
56.38359	0.3
58.06601	0.4
70.06598	6.5
71.29693	0.3
72.08170	2.9
74.06081	11.5
86.06065	3.2
86.09706	100.0
91.82103	0.3
98.06065	0.5
107.05000	0.4
114.05534	4.3
116.07090	21.0
130.05002	0.4
142.08653	2.0
142.12318	1.5
152.10715	4.8
164.07014	0.3
169.13342	0.6
177.05525	0.6
181.09778	1.3
187.03970	0.6
187.14429	3.3
199.10870	0.7
215.13971	2.2
217.11850	7.3
227.10394	6.0
227.13878	14.6
229.15497	0.6
251.07172	0.4
266.07928	0.3
281.11792	0.5
282.18109	2.4
300.19150	4.1
309.07672	0.5
312.19193	2.8
328.18655	33.4
370.01273	0.4
383.14825	3.2
425.23950	8.2
443.20560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3162
Annotation	Paxisterol
Peak:m/z	Relative Intensity
50.69310	6.3
51.53807	4.6
51.69376	5.1
52.74264	4.9
54.27678	5.6
55.05528	5.6
57.58959	6.1
60.47401	5.0
67.05509	6.6
72.08132	8.3
72.78522	6.1
81.07058	15.1
93.07003	5.7
95.08622	11.8
96.48756	6.9
97.06544	27.8
109.06528	8.0
109.10148	9.5
131.08650	7.7
143.08566	7.3
145.85706	7.2
149.19014	6.4
156.31990	5.8
161.13242	8.0
163.03938	9.5
165.09091	30.7
177.12810	7.2
248.08299	9.5
253.19411	23.7
262.10046	7.7
265.24576	6.7
269.19073	39.2
271.20483	8.4
291.10266	7.1
293.08316	7.4
307.09760	8.2
339.12595	6.5
351.12283	10.0
383.14902	100.0
425.30487	13.4
443.25613	10.8
443.31302	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80748	2.2
67.05498	4.4
70.06585	12.1
72.08176	3.5
76.81445	2.2
95.04971	11.3
97.10181	2.9
112.73804	2.2
114.09160	3.0
128.09636	2.4
131.06378	2.0
131.07314	59.1
132.08095	3.8
139.03949	3.2
144.08086	27.1
145.08934	17.3
157.08868	22.4
158.09634	5.3
167.07184	2.7
172.99382	2.6
182.09698	15.6
183.10385	18.9
184.11188	24.1
194.09612	2.7
194.44655	2.3
195.10477	9.6
197.08318	30.5
208.11307	3.5
210.12762	30.3
212.10701	100.0
224.06158	2.3
226.12335	2.8
230.11719	31.5
238.12288	10.3
250.43617	2.8
256.13327	59.6
256.35742	2.7
266.12894	2.5
277.59985	2.4
383.14966	2.9
386.15979	84.0
400.17722	3.5
412.17535	58.6
425.23920	2.6
443.21774	91.3
443.31268	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	443.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01374	1.5
50.25432	1.8
62.89087	2.4
70.06586	2.6
72.08156	18.0
98.06071	31.1
115.08694	26.8
116.77432	2.1
137.05997	53.5
151.03957	2.2
161.05998	8.6
162.06772	3.0
174.80156	1.9
177.05588	3.2
187.07768	2.3
201.05490	61.9
213.05489	9.9
247.07410	2.9
249.09210	8.9
261.08987	4.2
262.09341	2.5
263.06976	4.4
265.08661	3.6
270.07599	2.2
272.44547	2.3
275.07254	2.9
276.07800	3.5
277.08603	25.3
287.07202	8.4
290.05722	40.6
291.09964	4.4
293.08054	10.4
294.08835	5.0
295.09610	4.5
304.07074	2.7
304.10233	4.4
305.08109	90.6
305.11435	3.9
307.09683	17.0
309.11191	2.5
313.09094	11.5
319.09695	8.5
322.08359	12.6
325.10638	8.8
337.10715	87.9
353.09955	3.6
355.07465	3.5
355.11783	69.9
355.15955	4.1
368.12601	3.1
383.14914	45.2
413.20602	4.2
425.21271	4.4
443.21616	100.0
443.31076	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	443.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40858	0.8
58.06592	4.6
67.05505	3.8
70.06575	1.4
83.05013	3.5
84.08130	1.0
86.79306	0.8
91.90462	0.9
93.03402	1.5
95.04979	12.6
99.04445	7.2
111.04444	6.0
114.09095	1.1
121.02869	1.9
125.86111	0.8
131.07318	71.7
132.08121	10.4
139.03938	7.9
144.08107	30.4
145.08891	19.6
145.63652	1.0
146.09602	1.0
157.08871	25.0
158.09663	5.5
159.10429	1.7
169.08862	1.8
170.09634	4.1
181.08795	3.2
182.09663	21.9
183.10478	21.8
184.11235	26.1
194.09756	2.0
195.10487	8.9
196.11177	2.2
197.08362	33.8
197.10071	1.8
197.12038	1.0
198.12772	4.5
199.98277	1.0
210.12793	39.3
211.09979	1.8
211.13509	2.3
212.10712	95.5
212.14032	2.4
226.12297	5.2
227.09344	1.1
229.11024	5.2
230.11783	35.9
232.54044	1.0
238.12315	12.2
240.10612	1.0
255.12636	4.4
256.13321	74.4
295.06021	1.2
368.15097	2.2
386.15994	96.4
400.17606	5.5
412.17548	68.8
443.21805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29001	0.3
52.77750	0.2
56.05021	0.5
57.25712	0.2
59.49154	0.2
70.06593	3.6
72.08154	1.3
74.06085	5.4
80.96690	0.3
83.47231	0.3
84.08110	0.3
86.06055	1.5
86.09709	51.4
88.01680	0.3
95.06063	1.2
96.06399	0.3
113.07101	0.7
114.05515	2.5
116.06313	0.6
116.07092	11.3
120.08116	0.4
125.10719	0.5
131.07289	0.4
142.08609	0.5
142.12271	0.4
144.08089	83.1
145.08876	5.7
148.07596	1.1
152.10704	2.3
157.08907	0.4
158.09642	3.0
170.09641	78.0
171.10423	13.3
173.10771	2.1
177.05415	0.5
181.09731	0.6
181.52299	0.3
184.11258	0.5
187.12314	5.9
187.14401	1.5
188.13084	29.1
199.10760	0.6
210.12759	0.4
212.10809	0.4
215.13937	0.7
215.87775	0.3
217.11844	4.1
224.10698	2.3
227.10390	2.1
227.13887	7.7
229.15477	0.6
230.11815	0.5
252.14023	0.4
256.13354	0.5
269.16556	4.8
270.14813	0.6
282.18185	1.5
287.17603	3.1
300.19067	2.4
312.18973	0.7
328.18637	16.2
383.14783	0.5
386.16064	0.6
425.23825	4.6
443.21750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2178
Annotation	Kopsilongine
Peak:m/z	Relative Intensity
51.71051	0.9
53.05612	0.8
59.46512	0.9
70.06574	1.1
70.18024	0.8
72.08155	1.0
77.51746	0.9
82.39249	0.9
98.71086	1.1
109.34925	0.8
112.71749	1.1
123.26099	1.1
131.07291	5.6
144.08090	76.2
145.08865	4.3
157.08978	1.3
158.09639	1.9
163.83832	1.0
170.09645	59.2
171.10425	12.6
177.05457	1.7
184.11131	1.0
187.12331	3.9
188.13086	24.9
210.12785	3.8
212.10658	2.3
219.61082	1.1
224.10768	2.0
230.11760	4.5
256.13354	7.4
269.16403	1.6
277.15472	1.0
287.17517	1.8
386.15784	8.0
412.17621	4.4
443.21756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95738	2.0
55.05511	3.2
57.03442	7.6
64.53208	1.8
69.03417	2.9
70.03790	2.0
70.06592	12.3
72.08148	13.9
73.02919	11.5
77.69054	1.8
78.19447	2.1
85.02914	20.3
97.02908	9.6
107.04971	3.0
115.03909	5.0
116.04301	2.4
127.03933	3.7
134.03668	2.8
145.04935	8.0
159.08122	3.3
161.09731	1.9
161.13271	2.3
162.03163	2.8
163.03964	3.2
163.05988	2.5
164.10722	4.4
167.06998	3.0
177.05516	8.5
180.07904	2.1
181.04945	13.2
186.06744	2.4
186.77907	1.9
192.10127	2.2
204.10246	2.7
210.11314	10.9
211.05586	20.9
229.08662	4.5
231.08023	2.1
231.24323	2.1
233.10378	3.7
234.10173	2.3
240.12343	12.8
247.07463	3.1
249.12560	1.9
250.13190	17.9
259.07523	2.3
260.08099	8.3
261.08804	20.0
261.20596	2.6
262.09814	3.9
263.10751	8.4
265.08832	2.8
272.08292	2.1
273.21939	2.3
275.07135	2.5
276.07776	3.7
277.08481	3.1
279.10062	3.4
287.10083	3.1
290.09311	4.6
291.10199	10.5
293.07971	9.8
304.07281	2.3
307.09671	9.1
308.10510	3.7
309.11154	2.9
319.09537	2.9
321.07611	3.2
322.12189	3.2
323.12985	3.5
323.64557	20.8
335.09323	2.1
336.09943	2.5
337.10809	10.0
339.12552	3.0
351.12253	12.2
352.13272	2.3
353.10352	17.0
368.12396	15.0
378.17691	2.4
383.14865	100.0
411.14441	8.2
421.10391	3.7
428.20062	3.2
434.19760	2.7
443.17041	10.5
443.21738	9.4
468.17642	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	443.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
56.70851	0.6
58.28165	0.6
58.39558	0.6
64.27462	0.6
70.06588	1.6
72.08149	2.9
73.08782	0.6
79.05479	0.9
81.07050	1.5
95.08595	0.9
97.06534	1.6
100.13747	0.6
107.08601	1.7
109.10145	1.0
115.51553	0.8
121.10160	1.1
122.79275	0.7
130.05064	0.8
131.08521	1.0
133.10153	1.6
143.08633	1.0
147.11731	1.3
159.11708	0.7
163.03871	1.2
167.07050	0.8
173.13377	0.8
185.04187	1.0
195.13655	2.8
199.14784	0.8
204.10367	0.8
211.05493	0.8
213.16484	0.7
223.13071	1.2
229.08681	1.1
247.07387	1.0
248.08324	1.6
250.13423	0.9
251.18045	0.9
253.19467	5.3
261.08780	2.8
263.10703	1.0
271.20557	9.7
275.07050	0.8
276.07617	1.1
287.10272	1.1
290.09366	1.5
291.10205	2.5
293.08087	1.5
307.09668	1.4
308.10547	1.0
319.09546	1.5
336.09998	0.9
337.10629	1.1
351.12305	3.1
353.10248	3.8
357.18823	7.8
368.12582	1.2
381.18765	0.8
383.14868	30.8
395.12253	0.8
397.31372	0.9
399.19897	17.2
425.30698	3.0
443.18933	100.0
443.25415	6.3
443.31766	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	443.185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34130	0.4
58.06602	0.3
60.15888	0.3
60.98201	0.4
61.01144	1.7
70.06592	0.7
72.04520	3.0
72.08147	0.8
78.03802	10.0
88.02212	4.5
91.23658	0.4
95.04967	1.7
95.93651	0.4
99.05591	0.9
102.03769	18.9
107.04924	0.5
112.44384	0.4
114.03765	0.8
120.04794	2.5
123.04428	43.9
124.07623	0.5
125.07079	0.5
130.08594	0.4
131.06381	20.7
132.04791	10.7
142.08644	2.2
144.08049	1.9
147.04436	0.5
149.07439	100.0
159.05875	3.0
165.05455	12.4
170.09604	1.9
175.05406	0.6
177.05403	0.9
184.09714	2.1
192.18820	0.4
218.08226	0.5
243.11609	1.7
261.12659	16.1
261.15195	0.7
313.12152	38.1
383.15033	0.4
406.54886	0.4
424.51389	0.4
425.17419	19.6
443.21777	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	443.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01829	0.3
59.42776	0.3
61.01139	1.7
67.05495	0.4
72.04516	3.8
72.08157	0.6
75.55301	0.3
78.03797	13.3
86.09695	0.7
88.02225	3.8
95.04955	1.8
96.02360	0.4
99.05576	1.0
102.03770	21.3
114.03812	0.5
120.04800	3.6
121.06467	0.5
123.04426	43.6
124.07578	0.5
127.51910	0.3
131.06400	18.7
131.07243	1.1
132.04796	14.7
141.71442	0.4
142.08633	2.8
149.07440	100.0
159.05876	2.7
162.18143	0.4
165.05463	14.0
175.05280	0.9
182.09561	0.5
184.09702	3.0
201.05586	0.5
212.10725	1.8
243.11646	2.0
255.71925	0.4
261.12668	16.0
275.31998	0.4
279.13712	0.5
313.12146	36.8
383.14758	1.0
386.16183	1.0
402.24921	0.5
425.17404	21.0
425.23126	0.8
443.21310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85934	0.6
60.05668	0.9
62.88532	0.7
67.11694	0.6
70.06589	3.1
72.08154	7.9
84.08157	0.9
89.10800	1.4
94.17296	0.7
96.58895	0.7
98.06052	1.3
101.57453	0.6
107.08570	0.7
113.10783	1.6
114.09185	8.2
115.08689	4.1
125.06052	0.7
131.11867	1.2
135.04494	0.9
137.05957	6.5
149.06038	0.8
150.06776	6.4
156.11324	4.7
159.04398	1.5
161.02345	0.9
161.05766	0.8
173.13991	6.8
177.05486	0.9
187.03903	12.7
205.06479	2.7
221.05981	1.6
223.07581	3.3
233.06027	5.3
237.09108	1.0
249.05400	6.7
250.06206	1.5
251.07043	10.7
253.08672	1.3
255.39517	0.7
259.04001	0.7
261.05359	1.1
263.06964	1.1
265.08606	5.0
266.05737	1.6
269.08167	2.9
277.04968	3.5
278.05789	5.8
279.06567	12.3
281.08121	4.5
283.09702	3.5
283.63214	0.7
291.06488	4.7
293.08087	34.2
294.05295	9.5
305.04391	1.5
309.07574	87.9
311.09174	15.7
319.06140	1.3
337.07059	100.0
355.07913	5.9
362.61972	0.8
382.16644	1.5
399.19150	8.4
426.15427	5.2
443.18179	73.0
443.24799	7.7
443.31741	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	443.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25234	0.8
58.23800	0.7
68.70242	0.7
81.07106	1.3
84.30157	1.0
105.07057	0.8
109.87137	0.9
123.81725	0.9
144.08112	0.9
148.33908	0.9
161.13185	1.1
167.07088	6.0
170.07248	1.4
175.07542	1.0
177.05594	1.0
186.06804	2.1
187.07536	1.4
188.13016	1.0
200.08342	1.6
201.09129	4.4
205.08563	1.5
219.08150	1.4
220.08820	1.0
225.73792	0.9
229.08640	5.2
231.08101	3.2
233.09544	3.3
234.10426	1.5
235.11183	1.1
245.09622	1.5
247.07542	5.0
248.08257	8.7
259.07626	2.0
261.09067	4.5
262.09863	4.9
263.10718	6.3
265.08676	1.3
266.09573	1.2
273.09213	1.1
275.07013	5.4
276.07785	6.7
277.08582	2.1
279.10168	1.5
290.09442	6.0
291.10165	12.5
292.07297	1.1
292.10904	1.0
293.08038	8.7
293.10983	1.2
294.08731	0.9
303.06763	1.2
304.07297	1.0
305.08411	2.8
305.11661	1.3
306.08945	1.5
306.13400	0.9
307.09601	12.0
308.10437	8.5
315.08792	3.4
318.08676	1.6
319.09677	4.7
321.07620	6.4
321.11057	1.5
322.08313	4.1
322.12051	2.8
323.12766	3.8
325.10580	2.0
330.10794	1.1
335.09244	1.5
336.09833	4.5
337.10635	9.1
338.07855	1.2
339.12335	1.3
350.11636	3.2
351.12286	11.6
353.10129	13.5
367.75778	1.0
368.12479	11.1
376.84378	1.1
383.14902	100.0
443.16925	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57134	1.3
61.08887	1.3
65.60712	1.3
66.93732	1.3
70.06594	2.5
72.08160	3.9
79.49168	1.4
98.06072	7.0
103.07225	1.5
107.04967	2.6
111.78019	1.6
115.08711	7.0
118.72834	1.8
129.06604	6.9
129.73410	1.5
145.10077	2.3
163.03903	2.1
167.07034	21.3
177.05420	2.4
179.07021	2.8
187.07567	2.7
193.08673	3.5
194.09401	3.1
217.08585	2.3
220.08896	1.6
224.96526	1.6
229.08751	3.1
231.08058	6.1
233.09668	3.6
245.09714	3.8
247.07516	3.5
248.08391	13.1
250.13199	3.8
251.14044	1.6
259.07608	1.7
261.08899	2.3
262.09946	2.7
263.10770	11.5
269.08179	10.7
275.07156	2.7
276.08047	11.6
277.08487	2.7
279.29672	1.7
287.09052	12.9
290.09433	13.5
291.10193	13.1
293.08145	12.0
297.07587	32.6
304.07376	3.5
305.08075	7.9
307.09641	7.5
308.10358	13.7
310.08286	2.0
315.08661	53.0
318.09109	2.2
319.09415	5.4
320.10577	2.0
321.07608	9.8
323.12750	15.8
330.10989	39.3
335.09207	2.4
336.09845	17.2
337.10599	6.8
343.11725	2.3
351.12323	27.5
352.13074	6.4
353.10208	8.3
368.12564	6.8
383.14911	100.0
401.16147	2.7
443.17065	28.6
443.22079	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	443.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
58.06602	0.8
59.33801	0.8
59.95781	0.7
61.02922	1.5
63.57501	0.9
69.03433	11.3
72.08169	7.0
73.02930	1.2
78.50804	0.9
81.03419	1.7
85.02908	29.5
91.05465	1.3
93.07056	1.0
97.02889	9.0
103.05476	1.7
107.04958	100.0
109.02869	4.4
114.10284	4.2
119.04926	1.9
127.03902	8.1
131.04929	19.5
133.02879	1.0
133.06506	1.3
135.04472	1.1
141.06949	1.6
144.08102	14.6
145.04921	1.7
145.06480	24.5
147.04433	1.2
149.05963	1.4
157.06451	6.6
163.03903	8.7
164.07097	2.0
165.05473	1.0
167.07030	3.9
169.06474	7.8
170.09645	48.2
171.08029	1.4
171.10420	16.8
177.05446	2.0
181.05017	1.5
186.06851	1.4
187.07545	1.9
190.74876	1.2
201.05479	5.3
201.09126	2.3
201.13983	1.3
202.14636	13.9
207.08116	1.7
217.04915	1.7
217.10187	1.5
218.07170	0.9
220.08823	5.4
229.08638	3.8
231.08086	4.0
233.09610	1.0
235.11221	6.0
245.09593	4.0
247.07487	2.1
248.08325	6.7
251.10649	19.1
261.09143	1.6
262.10016	1.2
263.10638	25.8
271.10599	3.6
275.07010	4.1
275.10684	1.0
276.07837	4.3
277.08698	1.4
279.10193	1.2
281.11691	3.7
287.07025	1.1
290.09256	4.1
291.10153	7.4
293.08072	6.0
293.11526	1.7
299.09131	1.3
305.08081	1.4
307.09729	5.3
308.10550	2.2
309.11478	1.0
309.15594	3.7
313.11771	20.8
315.08521	1.7
319.09634	2.2
321.07535	1.9
322.12115	1.2
323.05563	2.0
323.12750	2.1
324.17938	5.2
330.10919	1.7
335.09113	1.5
336.10056	1.1
337.10797	4.5
351.12265	6.2
353.10297	9.6
355.11823	1.2
368.12653	6.8
383.14899	57.9
443.12524	2.1
443.25662	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	443.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19276	0.3
58.18819	0.3
59.77991	0.3
71.62241	0.3
82.84050	0.5
97.06525	0.4
101.07059	0.4
107.04960	1.6
124.81813	0.4
140.89812	0.4
141.06963	1.5
149.14471	0.5
149.27948	0.4
158.07333	0.7
167.07014	1.8
169.06488	0.8
170.07283	0.9
183.08087	0.5
186.06786	3.3
187.07462	0.4
194.48553	0.4
200.08325	2.2
201.09175	3.5
205.08534	0.5
211.07529	0.5
219.08098	0.7
219.10162	0.4
220.08893	0.6
229.08568	5.5
231.08244	2.8
231.10156	0.7
232.08833	0.7
233.09651	1.6
234.10326	0.7
235.11093	0.6
245.09656	2.6
247.07568	4.1
248.08319	4.8
249.09131	0.6
251.10764	0.6
258.06760	0.8
259.07507	1.5
260.08395	0.7
261.09146	2.4
262.09875	3.5
263.10635	4.8
265.08661	1.6
273.09076	0.7
275.07050	3.4
276.07791	4.5
277.08475	1.6
279.10233	2.3
289.08606	0.7
290.09344	5.0
291.10184	8.6
292.11032	0.4
293.08075	5.7
293.11404	0.7
294.08939	0.7
304.07364	0.6
305.08109	2.2
305.11768	1.5
306.08853	0.9
307.09634	8.7
308.10391	4.1
309.11014	0.9
315.08603	0.5
318.08932	1.7
319.09561	4.9
320.06964	0.6
320.10352	0.6
321.07556	3.7
321.11243	2.0
322.08374	1.6
322.12079	2.2
323.12567	3.7
325.10776	1.6
330.11047	1.0
335.09271	3.4
336.10004	3.8
337.10666	7.1
338.07678	1.5
344.12598	0.4
350.11441	2.1
351.12253	8.4
352.13034	0.7
353.10229	12.1
367.11603	0.5
368.12628	9.6
383.14886	100.0
443.16904	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	443.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.8
72.08154	3.0
79.05485	1.4
81.07057	3.3
85.02908	1.1
87.00769	0.8
90.63454	0.6
93.07025	1.5
95.08611	1.5
97.02908	1.3
97.06525	1.8
97.10158	0.9
105.07021	1.2
107.04963	5.2
107.08616	2.6
109.06568	1.0
109.10153	1.5
110.09717	0.8
116.40173	0.7
121.10083	1.1
122.85201	0.7
124.07586	1.0
125.05967	0.8
131.08539	3.2
133.10149	1.2
136.07591	0.7
141.25142	0.7
145.10127	1.5
147.11656	0.8
151.15559	0.8
159.08017	5.1
159.11671	1.5
160.07588	1.6
161.13243	2.6
163.03906	1.1
165.09113	5.5
166.08557	0.9
167.07031	5.2
169.06401	1.4
170.07260	1.1
173.09695	0.9
173.13280	0.8
175.11351	0.7
179.07097	0.8
186.06752	3.1
186.09155	9.0
187.07613	1.5
187.09929	1.6
200.08310	1.3
201.09109	4.4
204.07785	0.8
207.06534	1.7
217.08501	0.8
219.08080	1.0
219.10068	0.8
220.08847	2.9
229.08604	6.3
231.08020	6.7
232.08925	1.1
233.09775	2.8
234.10280	0.9
235.11244	1.3
244.08998	0.8
245.09653	3.9
247.07489	4.7
247.09694	7.8
248.08281	10.4
251.17915	1.0
254.98392	0.8
259.07556	3.6
260.08392	3.5
261.09091	4.4
262.09897	5.4
263.10669	8.6
265.08704	1.7
269.18933	7.3
271.09598	1.0
271.20630	3.0
272.08466	1.0
273.09064	2.7
275.07092	5.1
276.07840	7.6
277.08612	3.7
279.10287	1.4
289.10837	3.9
290.09283	10.1
291.10092	14.2
292.10788	1.4
293.08167	8.9
304.07370	1.3
305.08118	3.1
305.11792	1.0
306.08817	0.8
307.09485	7.1
308.10464	8.5
309.11288	0.8
315.08591	4.3
318.08829	2.9
319.09674	6.6
321.07587	7.4
321.10980	1.9
322.08517	1.7
322.12125	3.4
323.12747	8.6
325.10745	1.3
330.10849	3.3
335.09119	3.0
336.09836	5.6
337.10669	13.5
338.07831	1.6
350.11389	1.5
351.12360	18.1
353.10275	8.8
368.12558	9.1
374.16568	0.9
383.14880	100.0
412.83685	0.9
425.23703	0.9
434.22208	1.1
442.70770	1.3
443.16974	19.5
443.22876	6.4
443.31506	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	443.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35629	0.8
59.95159	0.7
72.11044	0.7
78.37450	0.7
96.14703	0.8
107.04964	1.6
110.13423	0.9
119.50398	0.8
141.07024	1.6
151.21391	0.8
167.07036	4.1
169.06371	1.1
174.14586	0.8
186.06776	3.9
200.08461	1.3
201.09145	4.7
207.08046	0.9
219.08139	1.0
220.08887	1.2
229.08588	5.2
231.08092	3.5
232.08740	1.3
233.09709	2.0
235.11115	1.1
237.12285	0.9
245.09508	1.6
247.07550	4.8
248.08382	7.3
251.10658	1.1
259.07651	1.2
261.09216	3.3
262.09869	5.9
263.10641	7.7
265.08478	1.0
275.07010	5.2
276.07855	5.8
277.08646	3.2
279.10001	1.0
289.08719	1.3
290.09482	6.0
291.10156	10.8
293.08160	8.3
293.11163	1.1
299.09097	1.2
304.07336	1.2
305.08130	3.5
305.11563	2.6
307.09686	8.5
308.10742	6.3
309.11200	1.2
315.08673	3.8
319.09659	6.3
321.07825	5.7
321.11127	1.4
322.11960	2.0
323.12634	6.1
325.10751	1.0
330.11072	3.8
335.09082	3.5
336.10037	5.0
337.10721	8.1
350.11722	1.8
351.12317	12.3
353.10214	14.0
368.12540	11.9
383.14890	100.0
443.16916	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	443.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28936	0.8
59.05001	0.9
67.79740	0.8
71.25119	0.8
87.11088	0.9
89.67255	0.8
92.18519	1.0
100.67774	0.9
112.01112	0.8
147.04420	1.1
159.08099	1.4
167.07057	16.2
179.07019	3.8
186.09175	1.6
187.07503	1.9
191.07060	1.3
202.07678	0.9
205.08644	1.5
207.06561	1.2
217.08621	1.8
219.10350	1.2
220.08795	1.3
221.02483	1.0
229.08594	1.4
230.07433	1.0
231.08029	6.0
231.10168	1.8
232.08868	1.5
233.09712	2.2
234.10486	1.0
235.11209	1.9
245.09654	2.0
247.07533	2.1
248.08324	12.1
259.07541	3.5
260.08359	1.4
261.09076	5.0
262.09937	4.6
263.10684	8.7
265.08456	1.7
269.08057	5.2
275.06857	3.5
276.07840	9.1
277.08493	6.6
279.10120	1.2
280.11481	0.9
289.08603	1.1
290.09409	11.6
291.10141	14.9
292.10983	1.7
293.08069	7.9
299.09097	1.7
304.07227	2.2
305.08209	7.6
305.11456	1.2
306.08829	1.3
307.09665	5.0
308.10431	12.6
309.11050	1.4
315.08606	45.8
318.08752	4.3
319.09698	7.2
320.06693	1.0
320.10495	1.2
321.07629	8.8
321.11017	1.4
322.08145	1.0
322.11902	1.9
323.12790	11.5
330.10995	34.4
335.09085	1.9
336.09940	10.2
337.10666	8.9
339.12265	1.3
343.11679	3.8
350.11911	1.2
351.12256	21.8
352.13068	4.0
353.10071	8.0
368.12518	8.1
383.14908	100.0
401.16110	1.5
443.17023	21.0
443.22516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61836	0.4
74.18425	0.4
78.51660	0.4
79.05506	0.7
87.87610	0.4
96.02749	0.4
107.04944	2.1
141.07016	2.0
158.07350	0.7
159.39723	0.5
164.98004	0.4
165.09161	0.6
167.07042	2.1
169.06494	1.6
170.07317	2.2
186.06709	3.2
200.08347	2.3
201.09091	4.2
202.07822	0.6
203.08537	0.5
205.08578	1.0
219.08067	1.7
220.08899	1.6
227.77898	0.5
229.08586	7.2
231.08060	3.5
231.10170	0.9
233.09656	2.2
234.10417	1.6
235.11118	0.8
244.08801	0.6
245.09618	2.4
246.06921	0.4
247.07610	4.1
248.08340	6.1
249.09152	0.5
255.10403	0.5
259.07507	1.0
260.08322	0.7
261.09067	2.4
262.09912	4.8
263.10739	6.0
265.08600	1.0
272.08411	0.5
273.09167	1.0
273.22202	0.8
275.07098	4.4
276.07849	6.0
277.08588	3.3
279.10159	2.5
280.10822	0.7
289.08582	2.0
290.09375	5.8
291.10153	9.2
292.07300	0.7
292.10959	0.7
293.08112	7.6
297.11026	0.7
303.06531	0.9
304.07571	1.4
305.08047	3.6
305.11743	2.7
306.08954	0.5
307.09698	8.5
308.10406	5.7
309.11151	0.9
315.08676	1.0
316.27097	0.5
318.09161	0.6
319.09607	4.3
321.07584	5.0
321.11108	1.1
322.08353	2.0
322.12027	2.9
323.12833	5.8
325.10678	2.8
330.10950	0.8
333.11072	0.8
335.09143	2.9
336.09958	3.0
337.10641	9.6
338.07788	1.7
339.12256	0.7
350.11621	2.3
351.12308	8.7
353.10172	13.7
368.12567	9.3
383.14890	100.0
442.72076	0.6
443.17038	4.0
443.22556	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	443.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02658	0.6
83.38118	0.6
86.32053	0.5
102.23672	0.6
107.04970	2.6
110.61111	0.6
141.06989	0.6
158.07237	0.9
167.07033	3.1
169.06560	0.8
170.07268	2.4
186.06767	3.7
187.07530	0.8
200.08351	2.8
201.09068	6.1
202.07755	0.8
205.08578	0.7
219.08122	1.3
220.08908	1.1
229.08682	6.1
230.07320	0.8
231.08112	2.2
231.10191	0.9
232.08873	1.2
233.09711	1.5
234.10408	1.0
235.11162	0.9
245.09581	2.7
247.07544	4.4
248.08334	6.1
258.06805	0.7
259.07501	2.3
259.28320	0.8
260.08371	0.9
261.09009	1.4
262.09973	5.2
263.07162	0.6
263.07864	0.7
263.10669	7.6
265.08618	1.5
265.21320	0.7
272.08289	0.7
273.09152	1.4
275.07120	4.2
276.07895	4.5
277.08652	2.4
277.12186	0.7
279.10153	3.0
287.06931	0.7
289.08716	1.2
290.09393	6.5
291.10162	10.9
292.07236	0.8
292.10831	0.7
293.08157	7.3
294.08917	0.7
304.07205	1.2
305.08057	3.4
305.11691	2.5
307.09616	10.3
308.10513	6.0
309.11099	0.9
315.08804	0.6
319.09662	6.0
321.07645	6.1
321.10934	1.7
322.08527	1.2
322.12036	2.5
323.12775	4.6
325.10822	2.5
335.09229	3.2
336.09958	3.9
337.10773	10.2
338.07852	2.8
340.12802	1.0
350.11389	2.5
351.12259	10.0
353.10208	13.6
368.12616	10.0
369.00977	0.7
383.14899	100.0
443.16956	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40938	0.8
54.93290	0.8
63.92557	1.0
74.48705	1.0
79.18333	0.8
92.17882	1.6
96.66167	1.0
107.04962	2.2
138.66222	0.9
141.07036	1.9
155.14531	1.0
155.61012	1.0
159.08080	1.6
167.07043	2.0
169.06448	1.4
186.06720	1.6
201.09079	5.2
220.08934	1.7
229.08650	6.7
231.08060	2.0
231.10147	1.3
234.10455	1.9
242.03268	1.0
245.09618	1.9
247.07474	4.1
247.09702	2.0
248.08272	6.6
251.10783	1.2
259.07504	1.5
261.09119	2.1
262.09964	2.2
263.10614	6.7
275.07059	1.7
276.07861	6.0
277.08670	1.8
279.10126	1.6
289.10931	1.6
290.09131	6.7
291.10156	10.7
292.11185	1.0
293.08096	9.3
304.07196	1.4
305.08057	4.6
305.11420	1.1
307.09396	6.6
308.10339	8.3
308.43188	1.0
315.08578	2.4
319.09747	7.1
321.07745	7.1
321.11072	1.7
322.11960	1.9
323.12769	6.1
325.10529	1.5
330.11026	1.6
335.09164	2.0
336.09869	5.4
337.10666	9.1
350.11490	2.3
351.12354	12.0
352.13052	1.6
353.10187	13.4
368.12628	10.3
383.14877	100.0
390.81567	1.0
443.16873	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	443.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64454	0.4
64.64723	0.4
68.12755	0.5
68.78584	0.5
70.06573	0.5
72.08144	1.2
74.97736	0.4
95.67840	0.5
106.05109	0.4
107.04937	2.5
120.44109	0.5
128.39206	0.5
133.02899	0.6
141.06979	1.1
147.04317	0.6
153.05521	0.6
158.07294	0.7
164.07021	0.5
167.07033	2.3
167.66307	0.5
170.07219	2.5
186.06770	3.3
187.07619	1.0
191.08556	0.5
200.08328	2.0
201.09071	4.2
217.08569	0.8
219.08043	1.1
220.08823	0.8
229.08598	6.1
230.07283	0.7
231.08073	2.5
231.10019	0.6
232.09006	0.9
233.09624	1.9
234.10294	1.1
235.11163	1.1
238.09979	0.6
244.08652	0.5
245.09673	2.1
247.07555	3.5
247.09769	1.0
248.08421	5.2
258.06711	1.7
259.07565	2.0
260.08383	0.6
261.05695	0.6
261.09128	3.3
262.09833	4.6
263.10638	7.7
265.08572	1.1
273.09167	0.9
275.07013	4.0
276.07813	6.1
277.08597	2.6
279.10159	2.3
280.10956	0.9
290.09375	6.1
291.10147	9.5
292.10721	0.8
293.08133	7.7
303.06458	0.8
304.07275	1.1
305.08102	3.7
305.11777	2.0
307.09674	8.5
308.10281	6.0
309.11246	1.2
318.08789	0.9
319.09659	5.4
320.06985	0.7
320.10471	0.8
321.07550	5.1
321.11087	1.9
322.08636	1.5
322.11963	3.2
323.12711	4.9
325.10757	2.1
330.11017	0.8
335.09219	3.4
336.09756	3.8
337.10703	10.5
338.07840	0.9
350.11496	3.1
351.12289	10.2
352.12811	1.6
353.10205	14.2
367.11908	0.7
368.12537	10.4
383.14893	100.0
443.16742	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	443.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42727	0.3
63.80994	0.2
65.79693	0.3
72.08154	0.5
79.05493	1.3
96.32231	0.3
107.04980	2.1
131.07280	0.7
131.08588	0.7
133.02882	0.4
141.07001	2.2
145.08847	0.3
147.46678	0.4
157.08846	0.3
158.07245	1.4
159.08070	1.7
167.07014	3.1
169.06493	1.2
170.07271	2.3
184.11218	0.6
185.05991	0.3
186.06764	4.1
187.07541	1.7
197.06024	0.4
197.08371	1.1
200.08388	2.8
201.09097	5.2
202.07759	0.5
203.06981	0.4
203.08678	0.5
205.08638	1.1
210.12822	0.4
211.07573	0.5
212.10689	2.6
214.06407	0.4
216.07692	0.4
217.08553	0.6
218.07257	0.5
219.08058	2.4
219.10062	0.9
220.08885	1.8
227.08568	0.4
229.08611	6.4
231.08034	3.7
231.10211	1.1
232.08817	0.7
233.09634	2.6
234.10384	1.6
235.07535	0.4
235.11211	1.8
237.09082	0.3
244.08849	0.7
245.09694	2.4
246.07144	0.3
247.07533	4.5
247.09734	1.3
248.08333	6.6
249.09119	1.2
250.97672	0.3
251.10739	0.4
256.13153	0.3
258.06833	1.5
259.07510	2.3
260.08304	0.7
261.09064	3.6
262.09857	6.2
263.10641	6.1
264.07898	0.3
265.08600	2.8
268.10910	0.3
272.08441	0.4
273.09070	1.7
275.07071	4.6
276.07846	5.8
276.10706	0.6
277.08615	3.9
279.06979	0.3
279.10150	2.9
280.10965	0.7
287.07007	0.6
288.07697	0.4
289.08545	1.6
290.09357	6.2
291.10153	11.0
292.07233	1.1
292.10638	0.6
293.08133	8.9
293.11377	0.8
294.08749	0.6
303.06601	1.1
304.07291	1.8
305.08127	4.3
305.11783	2.5
306.08853	0.7
307.06189	0.7
307.09631	9.7
308.06985	0.4
308.10413	6.7
309.11285	1.3
310.08310	1.1
315.08572	2.2
318.08936	0.5
319.09708	6.1
320.06763	0.7
320.10330	1.2
321.07562	5.5
321.11224	2.1
322.08340	2.6
322.12051	3.9
323.09253	0.9
323.12668	4.8
325.10660	2.8
326.11301	0.6
330.11087	1.2
333.11218	1.4
335.09161	2.8
336.09827	5.5
337.10721	10.5
338.07758	2.8
339.12283	0.5
340.13022	0.5
350.11530	2.9
351.12311	9.7
352.13113	1.6
353.10193	16.4
367.11847	0.4
368.12518	10.9
383.14890	100.0
386.16043	2.2
412.17654	0.7
443.16699	5.1
443.21924	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	443.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50165	0.6
56.80071	0.8
61.08470	0.7
65.31234	0.7
66.29119	0.7
67.31183	0.8
72.08153	4.3
77.73157	0.8
81.07089	0.9
107.04958	1.7
112.99966	0.9
138.09142	1.0
138.63881	0.8
164.07085	6.8
165.06870	0.9
167.07018	3.1
170.07286	1.7
170.09679	1.6
186.06786	2.0
200.08383	1.5
201.09137	5.8
205.08434	1.0
220.08788	1.4
220.61020	0.9
229.08664	5.5
231.08086	5.2
231.10184	1.2
233.09650	1.2
245.09628	3.3
247.07509	4.6
248.08337	6.4
258.06818	1.2
259.07535	3.7
261.09079	3.9
262.09894	5.0
263.10660	5.9
273.09000	0.8
275.06915	3.0
276.07803	6.8
277.08685	1.5
277.11792	0.9
279.10135	1.9
290.09351	6.5
291.10144	10.4
293.08197	7.5
304.07001	1.7
305.08115	4.7
305.11441	1.2
307.09683	6.3
308.10498	6.5
309.11063	1.0
315.08701	1.9
319.09451	6.2
321.07440	3.7
321.11270	1.6
322.08472	3.3
322.11942	1.8
323.12820	5.1
335.09094	3.3
336.09903	4.6
337.10675	7.4
338.11377	1.0
350.11465	3.6
351.12216	9.9
353.10135	16.2
367.11655	1.0
368.12564	13.3
370.08279	1.0
383.14896	100.0
402.20511	0.8
434.19904	6.1
443.21335	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	443.1453
Annotation	12-Dehydrotetracycline
Peak:m/z	Relative Intensity
54.11696	0.3
57.50312	0.3
60.58559	0.3
69.19975	0.4
71.49999	0.3
82.76261	0.4
83.06117	6.4
84.04502	2.2
101.07140	2.3
117.42617	0.4
127.12547	0.3
129.06604	26.1
140.58499	0.3
204.30255	0.4
211.07549	0.7
241.04982	0.6
242.06705	0.4
269.08072	14.2
273.07529	3.5
282.05377	1.8
287.09140	32.8
297.07590	100.0
301.07123	3.2
383.14737	2.5
443.14801	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	443.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
58.06602	0.8
59.33801	0.8
59.95781	0.7
61.02922	1.5
63.57501	0.9
69.03433	11.3
72.08169	7.0
73.02930	1.2
78.50804	0.9
81.03419	1.7
85.02908	29.5
91.05465	1.3
93.07056	1.0
97.02889	9.0
103.05476	1.7
107.04958	100.0
109.02869	4.4
114.10284	4.2
119.04926	1.9
127.03902	8.1
131.04929	19.5
133.02879	1.0
133.06506	1.3
135.04472	1.1
141.06949	1.6
144.08102	14.6
145.04921	1.7
145.06480	24.5
147.04433	1.2
149.05963	1.4
157.06451	6.6
163.03903	8.7
164.07097	2.0
165.05473	1.0
167.07030	3.9
169.06474	7.8
170.09645	48.2
171.08029	1.4
171.10420	16.8
177.05446	2.0
181.05017	1.5
186.06851	1.4
187.07545	1.9
190.74876	1.2
201.05479	5.3
201.09126	2.3
201.13983	1.3
202.14636	13.9
207.08116	1.7
217.04915	1.7
217.10187	1.5
218.07170	0.9
220.08823	5.4
229.08638	3.8
231.08086	4.0
233.09610	1.0
235.11221	6.0
245.09593	4.0
247.07487	2.1
248.08325	6.7
251.10649	19.1
261.09143	1.6
262.10016	1.2
263.10638	25.8
271.10599	3.6
275.07010	4.1
275.10684	1.0
276.07837	4.3
277.08698	1.4
279.10193	1.2
281.11691	3.7
287.07025	1.1
290.09256	4.1
291.10153	7.4
293.08072	6.0
293.11526	1.7
299.09131	1.3
305.08081	1.4
307.09729	5.3
308.10550	2.2
309.11478	1.0
309.15594	3.7
313.11771	20.8
315.08521	1.7
319.09634	2.2
321.07535	1.9
322.12115	1.2
323.05563	2.0
323.12750	2.1
324.17938	5.2
330.10919	1.7
335.09113	1.5
336.10056	1.1
337.10797	4.5
351.12265	6.2
353.10297	9.6
355.11823	1.2
368.12653	6.8
383.14899	57.9
443.12524	2.1
443.25662	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	442.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	18.2
57.07085	1.1
57.45040	0.7
58.64315	0.8
61.02934	7.7
69.03100	1.4
69.03442	23.5
71.01348	1.5
73.02923	47.3
81.03411	3.3
85.02912	100.0
85.80721	0.8
87.04466	1.8
91.03938	5.1
97.02895	48.9
97.03526	1.8
99.04467	2.0
103.03980	1.8
107.56586	0.8
109.02868	10.1
115.03933	27.4
127.03045	1.9
127.03925	35.5
133.04951	7.2
141.75955	1.0
141.86551	1.0
145.04967	42.4
150.07588	1.4
154.48984	1.0
154.89023	1.1
163.06006	33.8
177.05511	1.1
191.45909	1.0
223.06006	4.3
232.72795	0.9
241.07097	4.0
259.08115	5.9
293.19586	9.7
295.10220	9.9
307.31525	0.9
319.42828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63239	0.2
55.05513	0.3
57.18250	0.2
57.30531	0.3
60.04520	0.4
64.70488	0.2
70.06593	1.6
72.04517	2.9
72.08157	7.1
79.05496	0.6
80.05029	0.3
84.05631	1.4
88.02234	0.5
93.07024	0.2
96.05613	1.7
98.07178	1.2
105.07051	0.4
107.08612	2.8
110.07178	4.5
112.07623	0.4
114.09173	33.8
122.07136	1.7
139.05762	1.8
142.04362	1.3
148.11203	3.5
150.10289	0.5
151.09724	0.3
152.10657	0.4
158.54124	0.3
166.13387	0.5
167.12918	1.2
168.05939	0.5
173.13966	0.4
175.70770	0.3
176.11894	0.6
188.11868	0.5
190.13388	10.7
197.13985	5.3
209.14000	1.6
211.15553	4.0
222.10634	1.3
223.15543	16.1
224.12289	2.6
225.64832	0.3
235.15540	7.2
235.17741	0.4
237.17043	0.4
240.11731	0.3
244.18147	0.3
247.15495	1.8
248.16313	0.6
250.16637	0.4
253.11160	0.6
255.12724	8.2
257.14359	1.7
261.17090	0.5
267.12686	0.6
269.14297	1.6
275.18549	1.0
277.20358	0.4
279.21835	2.2
281.14178	0.4
287.18591	0.4
289.20319	1.2
290.21057	1.4
291.21811	1.3
293.23413	1.4
303.21799	23.2
305.23450	0.6
321.22922	2.9
335.18979	5.3
337.20599	12.5
344.17545	0.4
353.20020	2.4
355.21713	1.8
363.21906	0.3
379.21765	1.5
402.37289	0.3
424.23785	8.3
438.48383	0.3
442.24857	100.0
455.71002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17336	0.2
59.73111	0.1
62.06100	0.2
69.03435	0.2
69.63598	0.2
70.06596	1.7
72.08149	1.6
79.05485	0.9
81.03427	0.2
84.08148	1.1
85.02908	0.9
86.09727	0.7
95.04960	0.3
95.06093	0.8
97.02894	0.7
99.08080	0.3
102.05564	0.2
103.05462	1.0
105.07038	100.0
113.07117	0.2
116.07060	0.2
121.03159	0.2
122.09671	78.8
123.08102	0.3
127.03889	0.3
129.10233	0.7
132.04468	0.4
136.07607	0.2
141.09137	0.8
146.06033	0.9
148.07526	0.3
159.10127	0.8
165.39165	0.2
170.11769	0.2
176.07112	0.7
188.07056	0.3
203.72978	0.2
213.04247	0.3
214.43098	0.2
216.06560	0.8
216.12227	0.4
258.07822	0.2
269.07986	0.2
339.18533	0.2
398.25558	0.4
442.17645	0.4
442.24530	1.1
452.28784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14830	0.2
57.62424	0.1
68.78310	0.2
80.13306	0.1
83.17589	0.1
110.31756	0.2
110.34305	0.2
110.72617	0.2
111.81366	0.1
117.03342	0.2
145.02844	2.2
177.05457	6.9
180.07639	0.2
206.05772	0.9
209.42899	0.2
221.08084	100.0
259.17410	0.2
383.13315	1.2
409.41342	0.2
425.50876	0.2
442.20706	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	442.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
56.63565	0.3
57.17258	0.3
59.05157	0.3
60.05624	2.0
62.59466	0.4
63.31455	0.3
66.82684	0.3
70.06567	2.0
72.08155	9.1
76.88017	0.3
80.90356	0.3
97.07612	2.2
98.06042	6.6
114.09531	0.5
114.10287	9.0
115.08700	4.0
118.80492	0.3
124.34054	0.4
131.12907	4.8
140.04256	0.4
157.10843	17.9
157.12119	0.8
167.11385	0.4
168.48248	0.4
170.09682	0.5
208.47202	0.4
210.05431	0.5
212.18846	0.4
224.06897	0.5
254.08151	1.7
256.09308	0.4
269.06866	2.4
270.07584	15.3
271.08368	5.9
272.09097	0.4
284.09158	20.5
285.09805	0.6
286.10742	9.1
294.07877	0.5
297.06271	3.5
298.07251	0.7
312.08655	87.1
329.11349	0.5
382.17712	0.5
383.16153	2.7
425.18207	4.3
442.20850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58836	0.2
64.32748	0.2
65.65568	0.2
67.10236	0.2
85.94401	0.2
94.29308	0.2
136.06236	0.3
145.02855	2.6
145.93639	0.2
161.60031	0.2
177.05473	8.1
186.35840	0.2
206.05785	1.1
221.08095	100.0
369.72156	0.2
383.13385	1.1
442.20755	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	442.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15096	0.9
56.05051	23.4
70.06586	4.5
74.02439	2.7
82.06570	1.3
107.04982	2.3
107.53002	1.1
114.05515	6.0
119.04922	2.8
122.16973	1.2
147.04411	33.2
161.74776	1.1
163.03896	2.2
172.73120	1.1
179.03407	6.6
187.03871	1.8
189.01779	8.3
189.05287	1.2
189.08984	1.2
191.03401	2.8
204.10298	4.2
204.12195	1.1
205.05011	26.6
206.04550	2.7
207.02879	8.9
215.03406	6.9
215.07047	1.6
230.08336	2.1
231.06528	2.0
232.09741	2.6
233.04457	43.7
233.08147	6.7
243.06526	2.1
248.09180	40.8
258.07617	22.4
259.06104	7.8
260.09241	5.9
261.07669	1.4
276.08670	52.2
281.08121	2.3
304.08136	23.9
307.09671	5.2
311.09131	1.5
322.09201	100.0
323.09286	1.2
442.14987	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	0.8
70.06591	1.1
71.04989	2.2
72.04526	1.2
72.08162	5.0
77.92601	0.5
79.05458	0.8
81.07073	1.2
87.07909	0.5
91.05508	0.7
92.73768	0.5
93.07032	3.0
95.08598	2.3
105.07074	0.7
106.11542	0.5
107.08582	2.9
109.10172	0.6
113.10752	3.4
114.09179	23.5
115.08698	2.6
119.08615	1.1
131.08531	0.6
131.11824	5.5
133.10129	1.0
135.11687	1.2
145.10110	1.1
147.08081	1.2
147.93930	0.6
149.13258	2.9
150.09125	3.3
156.11377	4.2
173.13991	4.3
205.14534	0.9
209.12971	0.8
215.14410	0.7
218.15367	0.7
232.16989	0.8
233.15314	1.3
242.28893	0.5
286.21555	4.7
303.24344	1.0
304.22717	13.5
321.25232	3.9
381.27744	0.8
388.25946	0.6
399.28665	1.0
423.22388	0.6
423.29599	6.3
441.30750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2998
Annotation	CHEBI:69411
Peak:m/z	Relative Intensity
55.05509	2.1
55.66918	0.4
67.05491	1.3
68.31850	0.5
69.07057	3.1
71.58950	0.4
72.08152	0.5
79.05485	1.1
81.07072	3.7
83.08616	2.1
87.08092	3.1
91.05492	0.7
93.07043	4.7
95.04987	0.8
95.08613	5.6
97.06544	9.9
97.10154	2.6
97.10782	0.5
105.07013	3.6
107.08604	9.1
109.06525	6.2
109.10163	6.3
111.08082	0.6
117.07019	0.6
119.08575	4.1
121.06490	1.1
121.10130	3.2
123.08062	2.4
123.11668	2.5
131.04977	0.6
131.08537	2.0
133.10141	7.0
135.08080	0.8
137.09610	2.3
143.08569	3.7
145.10138	13.0
147.08008	2.1
147.11682	5.8
149.09616	0.9
149.13243	0.8
151.11154	2.7
153.09033	0.6
155.08539	1.0
157.10144	2.5
159.08018	2.0
159.11687	3.8
160.62848	0.6
161.09634	4.9
161.13254	2.3
163.11208	2.1
165.09087	1.1
166.99771	0.5
171.11685	2.8
172.59651	0.6
173.09636	8.5
173.13142	3.7
175.11198	11.8
175.14641	0.6
179.10678	1.2
181.85748	0.5
182.15953	0.5
182.75990	0.6
183.11723	2.3
185.13268	1.9
187.11186	0.8
187.14861	3.0
189.12773	0.6
189.16382	0.6
195.11598	0.7
197.13327	0.9
199.14761	1.0
201.16472	0.6
209.13292	2.0
211.14821	5.4
213.12852	0.7
215.14320	2.3
225.16393	2.1
227.14297	1.0
227.17882	0.8
229.15916	7.6
241.15829	0.6
247.07477	0.6
248.08363	1.1
249.16318	0.5
251.17967	7.6
253.19579	0.7
260.08221	2.6
263.06894	0.6
263.17661	0.6
267.17426	3.1
269.18997	100.0
271.20703	0.9
278.09552	0.7
281.19107	0.7
285.18494	0.8
288.07828	0.6
306.08832	2.5
307.09686	1.1
309.22217	1.1
321.11212	1.2
327.23114	0.6
337.21613	0.5
349.10754	3.0
351.08188	0.7
353.21011	1.0
355.22638	4.9
356.71408	0.5
377.28543	4.1
381.13507	5.1
387.26907	0.7
395.29434	3.7
405.27963	3.6
418.92612	0.5
423.28903	25.8
441.15735	2.3
441.29965	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50090	1.5
55.05495	2.8
56.32457	1.3
67.05536	2.1
69.03436	3.6
71.08636	2.3
72.08145	9.3
79.05495	13.4
81.07066	20.0
83.04974	7.3
84.04504	7.0
88.11273	38.2
91.05486	9.1
93.07061	6.9
95.04949	2.6
95.08612	3.9
97.02918	1.6
97.06543	3.3
98.06024	2.0
99.04457	11.7
105.07038	21.1
107.04989	3.2
107.08601	2.9
107.20708	1.7
109.02876	8.4
109.10165	1.9
111.04422	2.5
114.10262	2.1
117.07010	2.2
119.08598	42.1
121.06498	2.2
121.10133	8.7
125.05966	8.8
127.03937	11.2
130.04991	7.9
131.04932	10.8
132.05249	2.0
133.06454	2.0
133.10150	33.1
137.09650	2.2
143.07149	2.0
143.08574	16.1
144.08112	1.6
145.02975	1.7
145.10115	10.1
147.08057	53.9
147.11691	3.7
153.13867	2.0
161.09625	77.0
161.13278	3.4
162.05406	13.4
163.11148	3.6
164.07036	2.2
165.09148	16.7
167.07025	54.6
168.07362	34.7
170.09624	4.0
171.08076	2.8
171.14932	9.1
174.06679	2.1
177.05453	12.0
179.10684	14.5
187.14894	1.8
189.09103	32.7
193.08498	2.0
199.14435	22.5
200.12874	32.1
202.12193	2.7
207.10146	29.4
211.09720	3.7
212.10019	9.0
217.15480	100.0
225.11293	7.3
255.21030	2.2
273.22110	2.2
289.09961	1.9
316.13614	1.8
359.69574	2.5
391.71042	1.8
405.24408	1.7
423.24741	3.0
426.20340	17.1
426.70230	1.8
427.20462	3.4
441.20480	5.8
441.26480	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	441.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24288	0.4
55.05519	0.7
57.03443	0.8
60.05650	0.8
70.06593	2.6
72.08154	17.8
73.02898	0.9
75.04482	4.4
78.79579	0.5
85.02910	1.1
88.87925	0.5
89.10782	0.9
89.28755	0.6
98.06057	1.0
114.10288	16.9
115.08694	13.4
115.09430	0.9
123.04393	4.3
126.08916	0.5
131.12956	0.8
137.06044	0.6
145.02859	3.0
163.03880	3.9
165.05502	4.8
167.49821	0.5
172.13281	0.6
177.05450	12.7
181.29587	0.5
235.14415	19.5
236.12801	40.5
253.15408	4.2
261.12308	0.8
278.14981	33.0
295.17651	96.2
310.07175	2.9
320.16138	0.7
338.06586	2.6
364.11829	2.3
370.09335	2.1
424.13702	0.6
441.17960	9.1
441.23529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48970	0.5
61.50411	0.5
62.35786	0.5
64.01983	0.6
70.06589	3.5
72.04514	2.8
72.08171	5.4
74.46985	0.5
79.05503	4.4
81.07068	0.6
84.05632	0.6
86.96365	0.6
91.05473	1.3
93.07051	9.4
105.03389	0.7
105.07053	1.0
113.10773	5.7
114.09175	31.8
114.10319	0.9
115.08717	4.2
117.07006	0.7
119.08582	10.9
121.10134	3.9
122.55794	0.7
123.04427	12.9
131.11800	3.4
136.07613	0.9
136.11229	7.3
137.09560	1.0
147.08057	11.5
149.10741	0.8
150.09180	1.3
156.07715	2.3
156.11320	5.4
162.09111	0.8
165.09146	6.7
166.12254	2.2
167.11873	0.9
173.13968	2.8
176.10704	3.1
189.63809	0.6
197.13986	4.1
198.12442	0.7
218.15408	23.3
227.13797	4.8
235.18019	5.9
249.19608	0.9
252.13472	0.8
269.16086	24.5
277.19168	2.3
277.32825	0.6
295.20148	0.8
337.22339	7.1
355.23090	2.5
397.19681	1.1
397.24487	19.3
409.29767	0.6
441.23471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22618	0.4
55.05525	6.1
57.03442	3.0
57.07066	0.9
61.02919	0.8
65.49870	0.5
69.03442	6.6
69.07077	100.0
69.47917	0.5
70.06229	1.0
70.06600	20.7
71.06929	4.2
72.08160	1.0
73.02930	7.0
81.03458	0.8
84.08159	1.1
85.02913	12.4
87.04485	0.9
97.02898	10.7
109.02910	2.7
111.11723	58.2
115.03925	5.1
127.03951	4.2
128.07179	0.6
129.12759	45.7
130.08694	2.1
133.05022	0.6
145.05026	2.0
147.13815	19.9
147.78745	0.5
150.07750	5.0
163.03999	1.9
173.66937	0.5
182.09526	0.5
193.04942	5.4
259.08246	0.9
279.48752	0.6
295.10413	0.7
309.13251	1.0
341.54156	0.5
441.14197	0.9
441.19662	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	441.2023
Annotation	Ibrutinib
Peak:m/z	Relative Intensity
53.89282	0.5
58.06605	2.9
61.99154	0.4
67.05497	0.8
69.03430	0.4
69.07084	0.4
70.06590	3.0
72.08161	2.3
82.93759	0.4
84.08147	100.0
95.86678	0.4
97.41650	0.4
102.55106	0.5
109.10163	0.5
112.02436	0.5
119.04969	0.4
127.12318	32.6
144.08099	5.1
147.04416	5.9
147.08247	0.4
149.32600	0.5
163.03905	1.7
163.75768	0.5
170.09639	17.5
171.10442	4.2
175.07568	0.5
202.14674	3.1
219.06490	6.4
247.06042	1.8
255.44127	0.6
276.08618	0.5
286.10876	2.2
296.28476	0.5
297.07233	0.5
304.11755	5.1
321.11304	1.3
321.14590	3.7
325.10846	0.6
441.20306	42.8
441.25269	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	441.187
Annotation	Sertindole
Peak:m/z	Relative Intensity
70.06596	5.2
71.15085	0.3
72.08160	20.3
72.65196	0.3
77.72182	0.3
81.03423	0.7
82.66114	0.3
84.08123	0.7
89.10777	0.6
92.17908	0.3
96.04477	2.0
98.06049	0.8
101.10777	0.4
110.02266	0.3
114.10266	0.8
117.03357	0.6
135.04445	3.4
135.05394	0.5
145.02835	5.4
150.09143	15.5
158.43895	0.4
163.03897	100.0
167.11804	6.9
169.10841	0.4
181.35777	0.4
193.09744	0.5
194.08118	16.5
211.10788	3.0
212.09219	2.0
226.10735	5.9
234.11243	7.6
244.11755	4.8
251.13849	0.7
262.12793	0.6
329.14975	11.6
333.26205	0.3
337.86911	0.4
373.13931	8.5
391.15240	0.4
400.46094	0.4
405.16620	2.1
410.61819	0.3
423.17676	1.6
441.18680	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74038	0.5
65.62398	0.6
70.06236	0.7
70.06593	12.5
72.08159	34.5
76.88005	0.5
80.18707	0.5
81.03401	2.2
84.08134	2.1
89.10787	1.0
92.18421	0.5
96.04472	2.4
98.06045	1.0
107.04938	0.7
107.43062	0.5
113.10789	0.5
114.09184	0.8
114.10286	1.3
115.08695	2.2
117.03392	0.7
135.04414	3.5
141.10190	0.9
145.02852	7.0
150.07973	1.2
150.09146	27.4
163.03900	100.0
167.11801	10.8
193.09738	0.9
194.08121	19.6
211.10863	3.7
212.09236	2.9
219.35350	0.6
226.10707	10.7
226.15436	0.7
234.11264	5.1
244.11740	8.9
251.13684	0.5
262.12802	1.9
279.15457	0.8
282.14157	0.6
295.17639	0.6
329.14938	20.0
369.71017	0.9
370.21262	1.3
373.14001	6.8
373.99768	0.6
405.16458	2.1
423.17862	3.1
441.18716	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93568	0.3
58.10093	0.3
60.01208	0.3
60.04536	0.4
71.05004	0.5
71.90479	0.4
72.08150	1.9
80.05011	0.6
80.18153	0.3
81.03430	0.9
83.05003	0.4
84.04525	3.3
84.08144	0.5
96.04497	4.0
96.57213	0.3
97.02897	1.6
98.06053	6.5
99.04498	0.7
103.05475	1.6
109.02892	2.6
114.69980	0.4
120.08110	46.2
124.03956	0.4
126.05520	18.5
127.03919	2.0
131.04939	1.5
138.05511	100.0
144.06569	21.6
149.05963	0.8
163.03966	0.7
166.08636	19.4
168.06569	15.4
173.48204	0.5
176.01584	0.4
177.01883	1.6
186.07632	18.2
238.01601	0.7
239.01981	0.6
276.10785	56.8
297.10837	0.4
305.74347	0.4
379.06830	0.6
409.04224	0.8
418.04846	0.4
441.14755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1738
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
50.05105	0.3
55.31327	0.4
67.05495	0.8
70.06565	0.7
71.04982	0.4
72.08155	2.0
81.07049	1.0
82.03706	0.5
83.08613	0.9
84.08154	0.6
84.08982	0.5
85.02896	1.8
86.09693	0.7
93.07044	1.1
95.08598	1.7
95.18228	0.5
97.02908	0.9
97.06544	1.6
98.06080	0.6
105.07032	0.8
107.08608	0.9
114.10285	0.5
119.08585	0.6
127.03889	0.7
131.08533	0.6
133.10086	0.7
135.11725	1.0
145.10164	0.5
162.05489	0.6
177.05418	0.8
184.07362	0.8
185.04164	0.9
193.12041	3.3
203.05251	0.7
215.90187	0.5
221.11481	0.5
227.05305	1.0
245.06299	5.5
289.05298	9.8
325.08398	0.5
337.16449	0.6
355.17264	11.7
357.08533	0.4
379.17145	0.5
397.18320	23.7
408.18915	0.6
441.17310	100.0
441.23819	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	441.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.1
55.05522	15.2
59.04981	6.0
59.59678	1.2
61.15052	1.0
65.70240	1.0
67.05490	2.6
69.03410	2.2
70.06594	11.7
72.08161	47.1
74.47491	1.0
79.05507	1.2
81.07053	1.3
84.07690	0.9
84.08151	23.5
85.02866	5.3
86.09666	1.5
89.10744	6.5
95.11003	1.2
97.02856	1.3
98.06062	100.0
104.65032	1.0
107.04907	1.1
109.10083	1.8
114.10245	1.7
115.08697	86.5
117.09115	1.9
118.65147	1.0
120.08008	1.1
124.08713	0.9
127.12274	6.4
135.04434	1.5
137.05940	1.5
147.04388	2.5
150.06749	1.2
168.11282	1.2
175.03925	1.4
177.01842	1.6
193.04997	14.0
193.14255	1.7
203.03366	3.6
206.11694	4.8
221.12770	4.6
223.14366	2.7
225.08986	5.4
243.10074	2.6
247.14313	1.6
253.08577	1.4
261.11203	9.7
265.04797	1.4
267.06439	1.4
281.07925	4.9
293.04242	5.6
295.05826	1.2
297.07306	5.9
309.07397	2.3
312.06180	1.9
325.06967	2.0
327.08630	36.3
353.06454	4.6
424.13522	4.6
441.16238	63.9
441.24109	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	441.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40354	3.2
52.39451	3.1
56.16645	3.5
63.43880	4.0
92.18412	8.6
105.07018	16.0
109.10114	3.7
144.08087	6.5
151.03915	20.3
152.04144	4.6
162.14026	4.0
170.09636	21.3
171.10052	8.9
171.93086	4.2
186.09158	5.1
202.14682	5.0
212.05948	4.0
231.07945	6.7
233.09554	4.5
233.12994	5.0
241.08601	13.9
243.08015	4.5
245.05969	4.1
247.07516	5.5
248.08305	9.0
249.09369	4.7
259.07480	7.2
260.08405	31.4
261.09164	24.1
263.07132	16.7
264.07758	5.2
269.08029	4.5
274.06177	17.4
275.07025	5.6
276.07651	4.3
277.08398	13.5
278.09378	15.0
287.76495	4.1
288.07776	37.9
289.08643	17.6
290.09235	5.0
291.06528	19.7
291.09918	4.7
292.07346	4.0
293.08078	7.7
293.11676	4.8
301.10837	5.0
304.07227	4.4
305.08154	19.9
306.08881	43.7
307.09689	21.4
308.10590	6.1
316.07458	8.7
317.08087	19.1
318.08881	5.5
319.09570	17.2
321.11133	39.0
323.09076	20.9
329.10217	16.7
334.08463	15.8
335.09039	16.1
338.11545	6.1
349.10684	100.0
350.11493	8.1
351.08658	7.2
381.13339	88.0
409.12753	7.9
441.15652	49.9
441.32715	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28141	0.1
61.72720	0.1
67.49501	0.1
69.03424	0.2
69.07056	0.1
70.06596	1.4
72.08149	1.4
78.84489	0.1
81.03426	0.3
84.08154	1.2
85.02898	0.7
85.06503	0.1
86.09692	0.7
97.02841	0.1
98.06057	0.2
99.30803	0.1
102.00546	0.1
109.02886	0.3
109.60973	0.1
110.07160	0.5
112.70364	0.1
114.10333	0.2
120.08125	1.1
127.03859	0.2
129.10207	0.5
130.08656	0.1
131.12915	0.2
133.02887	0.2
146.06004	0.5
147.04449	0.2
147.06372	0.5
147.11238	0.1
151.03874	0.2
162.03209	0.1
172.11476	0.1
174.05492	4.8
175.05861	4.7
177.05496	0.1
178.02600	2.5
185.09166	0.1
192.06587	0.9
193.04964	100.0
207.06557	0.1
237.50040	0.1
267.97287	0.1
283.24969	0.1
285.98203	0.2
325.24469	0.1
355.12039	0.5
386.63297	0.1
397.13077	0.7
423.14304	0.2
433.78571	0.1
441.12088	3.8
441.20789	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66324	1.2
56.96565	2.2
66.04977	1.4
66.69740	1.1
67.52438	1.0
83.88259	1.3
84.96059	1.4
95.34213	1.3
98.97589	58.2
110.97574	2.6
116.98637	20.3
128.56186	1.4
128.98605	3.1
134.99661	2.1
140.98598	6.4
143.00171	26.4
158.99649	69.8
161.01202	11.0
163.49188	1.6
170.99648	32.3
174.99202	2.0
177.00716	33.7
182.99644	20.2
189.00740	19.8
194.99516	1.3
197.03104	1.5
201.00719	67.8
213.00539	1.5
219.01779	45.6
231.01727	2.7
237.02820	8.1
243.01755	64.6
261.02850	53.2
279.03894	20.9
321.04819	14.1
332.46146	1.3
381.06958	15.3
399.08130	36.7
441.09171	100.0
457.00552	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55255	3.5
57.07073	18.0
58.77525	3.7
60.32454	3.5
65.56463	4.1
66.32723	3.5
71.08627	9.0
85.10174	21.0
89.06032	100.0
89.16193	3.8
92.18549	4.5
133.08563	28.7
137.51048	4.8
177.11180	7.8
182.52480	3.7
234.65292	4.5
273.83542	4.1
283.17499	48.0
337.03333	4.5
423.33151	50.3
451.36005	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	440.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.8
57.07089	18.5
62.06087	25.8
67.05512	2.7
69.07057	2.6
71.08639	17.8
78.81104	1.8
81.07043	3.9
83.08601	2.3
92.17841	3.0
95.08589	4.9
153.14771	2.2
155.01041	3.1
221.74269	2.2
268.26361	15.5
299.25818	100.0
379.22595	7.9
404.77097	2.7
422.26785	23.7
440.27762	25.6
446.68509	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	440.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98065	0.7
51.39668	0.8
55.39425	0.9
58.26759	0.9
66.38531	1.0
67.11231	0.9
74.52056	0.8
85.49790	1.1
85.97535	1.0
89.20504	0.9
102.80497	1.1
127.37979	1.1
143.63744	1.0
144.08090	26.2
158.09680	1.1
159.38791	1.1
165.14095	1.0
170.09647	100.0
171.10428	24.3
187.02618	1.0
189.89360	1.1
201.13899	2.4
202.14661	18.2
237.02975	1.0
440.23145	2.4
440.29160	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83008	0.3
58.06573	0.3
70.06580	0.4
72.08163	4.3
84.08129	0.7
92.17857	0.4
103.05444	1.6
104.60070	0.3
112.11264	3.3
123.04398	2.5
129.13876	0.6
131.04933	58.2
140.06500	0.3
163.03926	0.6
165.05504	3.9
187.12236	1.3
188.10709	100.0
216.66385	0.3
221.12849	0.5
236.12845	5.4
293.18555	1.3
310.21274	0.4
327.86514	0.4
398.01620	0.4
422.24460	1.3
423.22946	1.5
440.25470	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
55.05505	11.0
56.40555	2.0
57.03450	32.5
58.54131	2.3
60.45671	2.0
61.02918	9.7
63.63389	2.0
69.03425	30.7
69.07070	83.7
73.02921	73.6
81.03421	3.3
82.43063	2.1
85.02912	100.0
97.02895	63.9
99.04432	3.6
109.02853	4.4
111.11722	40.5
115.03925	35.5
127.03912	26.4
131.04915	4.7
133.04974	11.4
145.04976	28.1
150.07605	3.5
163.06071	22.6
183.56520	2.4
195.48752	2.4
202.12181	2.5
219.63327	2.6
241.07127	3.7
259.08124	12.1
273.17010	3.4
295.10233	16.5
321.25006	2.7
406.17612	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	440.2299
Annotation	Parsonsine
Peak:m/z	Relative Intensity
52.36615	0.4
55.05521	0.4
62.29588	0.4
66.62470	0.4
69.03425	0.5
69.07069	0.4
70.06585	3.0
72.08163	21.3
84.04539	0.4
84.08152	0.5
85.02894	0.6
89.10796	0.6
96.21251	0.5
97.06530	2.6
97.07661	5.3
98.06036	1.0
98.06864	0.6
107.04940	5.2
107.15417	0.5
114.09143	0.8
114.10295	29.7
115.08694	1.0
123.04423	0.6
131.12885	0.8
133.10133	1.9
134.10455	0.7
135.04401	0.7
145.02789	0.5
155.11736	0.5
157.10873	3.5
162.05486	6.3
163.03900	6.9
164.04211	0.9
176.91180	0.5
186.05502	1.9
187.60248	0.5
190.04985	0.6
192.06569	1.2
204.06541	2.4
209.43983	0.5
216.06723	2.2
230.12746	1.6
247.15483	0.8
260.10022	2.8
268.09683	68.5
279.08908	0.5
282.11298	2.5
284.12714	0.8
284.50378	0.7
292.09695	1.9
293.09344	0.6
295.08328	1.9
310.10672	15.7
313.32758	0.6
329.05655	0.7
352.12592	0.5
380.19714	2.8
381.18066	5.8
396.16949	1.2
423.20432	6.2
440.22946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
57.67493	0.6
61.92699	0.6
63.96789	0.5
70.06586	1.1
72.08167	6.5
72.86429	0.6
77.72120	0.6
87.45573	0.6
104.10683	1.1
105.13124	0.7
114.09130	1.6
114.10297	9.6
127.03897	1.4
131.12943	1.0
134.60013	0.7
144.08023	1.7
163.03909	1.0
170.09647	3.3
194.59496	0.7
201.86491	0.7
210.58340	0.8
224.03406	1.2
239.05693	4.1
250.05153	0.9
252.02835	1.1
254.08241	7.3
267.05261	5.0
277.67001	0.7
282.07590	4.4
295.04761	1.0
310.07092	100.0
319.21231	4.2
358.21115	0.9
380.15924	1.0
381.14536	1.7
423.16550	2.7
440.19189	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05635	1.7
72.08154	3.1
76.46113	0.4
80.85564	0.4
92.17821	0.5
97.07667	1.0
99.04446	0.4
109.94103	0.5
114.09177	1.8
114.10289	7.6
115.08675	0.7
119.48553	0.4
127.03909	1.8
131.12932	1.8
147.08087	0.4
155.19896	0.4
166.60500	0.4
184.07254	0.4
195.06815	0.5
222.05559	1.5
224.03470	2.1
226.08733	0.8
239.05771	3.5
250.05023	0.9
251.05772	1.8
254.08142	7.4
264.06558	1.6
267.05212	4.9
276.15857	0.7
282.07547	5.7
295.04739	1.8
310.07092	100.0
319.21201	3.7
380.16013	1.7
381.14444	2.6
423.16547	1.8
440.19260	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00848	0.4
68.05029	0.5
69.03448	1.8
70.06600	100.0
71.04996	2.4
72.08166	2.1
80.99553	0.4
81.03413	1.5
81.07070	2.7
82.06572	1.9
82.07388	0.6
84.04509	0.6
84.08160	0.9
85.02908	2.8
85.06542	1.0
86.09720	0.5
95.08630	2.9
96.08973	0.5
97.02926	2.5
97.42487	0.4
99.04468	0.6
99.08113	0.5
100.02220	1.7
102.21185	0.5
103.05448	0.5
105.07063	1.7
107.10519	0.4
109.02885	5.0
112.07633	4.5
119.08588	0.6
127.03934	4.2
128.07101	6.4
130.08646	11.7
131.04895	3.7
145.05014	0.8
146.02731	2.6
149.32430	0.5
155.14322	1.0
156.14619	1.9
163.04018	1.5
163.07478	0.5
167.06995	0.4
173.15356	0.7
174.07661	1.0
174.15767	0.7
187.06030	0.7
192.16776	2.1
214.60970	0.4
256.11801	0.9
274.12869	5.4
278.06943	0.8
315.73532	0.4
357.51178	0.5
440.19128	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	440.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38153	0.3
58.06578	0.4
60.08170	10.4
64.79211	0.3
68.05022	0.7
69.05820	0.6
70.06604	0.4
72.08154	0.7
78.95337	0.3
83.06095	0.7
100.02190	0.4
103.62915	0.4
105.07023	1.5
105.91888	0.3
107.04973	0.7
110.07162	0.3
111.05549	2.5
121.06503	0.4
127.03262	30.7
133.06482	2.2
144.17409	0.4
149.05989	1.6
161.06003	6.2
167.07033	100.0
179.07140	0.5
181.08580	2.3
185.09845	1.4
186.10605	2.5
189.09142	0.5
193.08606	8.4
198.10512	0.4
211.09654	1.6
228.52640	0.4
243.14900	0.4
263.50287	0.4
269.07455	0.6
318.76862	0.4
319.11234	0.8
337.12207	2.5
396.19522	59.5
440.18460	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	440.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07926	0.6
60.08178	9.6
68.42252	0.3
69.05794	0.5
70.06597	0.6
72.08156	1.8
73.41475	0.4
78.78067	0.4
83.06097	0.6
87.79260	0.4
98.28947	0.4
99.70836	0.5
105.07042	0.6
107.04952	0.7
111.05561	0.9
127.03270	32.4
133.06480	2.5
144.25279	0.5
149.06012	1.0
153.60457	0.4
161.05971	4.7
167.07040	100.0
179.06938	0.5
181.08585	2.5
185.09857	0.8
186.10611	2.0
193.08597	9.1
195.31538	0.5
211.09703	1.0
260.99289	0.4
261.02103	0.4
337.12259	3.8
353.11673	0.6
396.19537	58.8
440.18515	23.1
440.24454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76619	1.1
54.68685	1.2
65.62044	1.4
67.05511	19.4
68.05843	1.9
69.03408	1.2
70.06590	4.9
72.08148	6.7
77.90598	1.1
78.42448	1.2
79.05482	1.7
79.53521	1.1
81.07068	6.6
85.02911	5.5
85.06546	2.2
88.03992	9.6
91.05473	2.2
93.07025	9.2
95.04952	6.0
95.08580	1.6
97.02867	2.4
99.08086	6.6
105.01879	1.4
109.02883	1.9
109.06499	2.2
109.10147	12.6
110.10513	5.9
113.06020	5.1
114.09164	12.7
117.07013	12.9
120.08107	1.9
122.02723	8.7
127.03963	2.2
127.11224	2.0
128.11534	2.2
130.52901	1.3
131.04930	5.8
133.06487	1.6
135.08014	2.9
145.06491	61.3
147.08032	4.9
148.95088	1.2
157.06567	1.3
161.05980	13.7
163.03822	2.0
171.08116	5.7
173.06033	5.9
175.07552	6.4
179.07016	26.3
185.06015	2.1
187.07538	17.8
188.11824	5.8
189.09105	5.2
191.07062	5.7
197.09576	1.5
197.13931	1.7
198.23167	1.2
199.07568	1.4
199.13487	1.4
203.07051	7.5
205.08612	2.7
211.11151	14.3
213.12701	1.6
223.11192	16.0
229.22200	1.5
241.12167	11.6
247.11171	3.0
253.12247	1.5
265.12216	9.9
271.13312	5.0
275.07468	2.2
283.13300	12.6
293.08298	1.7
301.14288	11.8
301.20270	7.0
303.21765	1.9
315.10547	2.1
319.15430	2.4
335.18985	1.6
351.12509	20.8
351.51932	1.4
422.16159	8.1
422.22336	12.6
423.14624	7.0
440.17413	100.0
440.23264	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	440.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99601	0.8
59.20632	0.4
67.05499	0.9
69.03419	0.9
70.06606	3.6
72.08156	6.8
72.79482	0.4
73.02938	0.5
74.06042	0.4
76.02231	5.8
81.03434	0.5
81.07047	0.6
84.04499	0.6
84.08131	0.8
85.02894	2.4
97.02892	0.7
99.04423	0.4
100.02202	3.1
102.03741	0.7
104.04260	0.4
105.00099	1.0
105.07002	0.4
109.02879	0.7
109.10169	1.8
113.07116	0.5
115.03996	0.5
118.06543	0.4
122.06026	1.0
127.03928	0.9
127.11234	0.5
129.10266	0.5
137.07060	0.4
138.05476	0.9
139.11188	0.5
142.03275	0.5
145.04984	0.6
146.02711	7.9
146.06009	3.3
149.25645	0.4
159.04391	0.6
164.07040	0.8
171.14914	0.7
174.05508	37.9
175.08679	0.6
188.03819	0.9
189.10336	0.7
192.06569	7.7
196.04282	0.9
198.09290	0.5
199.13260	0.7
203.35335	0.4
213.10194	0.7
215.11789	0.7
217.09674	3.6
235.10803	3.4
241.09712	18.0
242.04726	0.6
242.08087	3.0
243.11287	20.4
255.11241	4.5
256.09784	0.6
257.12985	1.7
258.12402	10.8
259.10767	24.5
259.13483	0.8
260.09201	1.9
271.13202	1.8
273.06924	2.3
273.12354	1.9
283.10776	9.6
284.09106	2.9
284.13904	2.1
285.12305	11.8
285.14978	0.6
286.09555	2.0
287.08649	0.9
290.81296	0.4
295.09741	0.5
299.08575	2.3
300.11032	1.7
301.11853	29.0
302.10080	2.8
303.13751	1.3
316.11026	1.3
317.09930	1.1
317.13693	18.6
318.12656	7.1
319.12970	0.9
354.11945	2.2
362.11694	12.0
363.10095	5.7
396.12634	3.1
404.12772	5.3
405.11304	1.9
422.13818	100.0
423.12177	11.7
440.11472	16.5
440.19165	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	440.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35051	0.3
53.06697	0.3
55.05513	0.8
56.00123	0.3
57.03442	0.4
58.99598	1.2
60.04543	0.3
66.06567	0.3
67.05501	1.3
69.03422	1.5
70.06603	4.6
72.08157	5.8
73.02898	0.5
74.06090	0.4
76.02242	6.2
83.08603	0.4
84.04498	1.4
84.08163	0.7
85.02923	2.4
86.09714	0.6
86.99044	0.5
92.76012	0.3
95.06107	1.4
97.02876	0.8
97.06535	0.4
98.06038	0.4
100.02228	2.8
105.00088	0.5
109.02894	0.7
109.10185	0.5
110.07163	0.5
110.10419	0.4
113.07099	0.4
114.10292	0.5
115.08728	0.4
120.08148	0.5
122.06016	0.4
127.03915	0.6
127.11166	0.4
129.10216	0.4
136.07584	0.5
137.07104	0.5
138.05540	0.4
139.11206	0.4
142.03195	0.6
144.08113	0.7
146.02711	8.0
146.06038	3.3
159.02983	0.4
159.04440	1.4
164.07066	1.5
171.14900	0.7
174.05505	34.3
175.08669	0.8
188.03802	2.1
189.10225	0.6
192.06563	6.9
196.04341	0.7
198.09013	0.7
199.13168	0.5
213.10182	0.7
215.11803	0.7
217.09740	4.1
227.11862	0.6
231.11452	0.5
235.10767	3.6
236.15004	0.5
241.09731	16.8
242.04880	1.4
242.08134	3.2
242.10390	0.9
243.11278	19.1
254.10530	1.4
255.11275	4.7
257.12805	0.7
258.12396	9.2
259.10773	23.2
260.09149	2.2
271.13245	2.1
273.06747	0.5
273.12280	2.4
282.09946	0.7
283.10788	10.4
284.09177	1.3
284.13968	2.0
285.12332	11.6
285.15384	0.4
286.09723	1.7
287.08484	0.5
299.08514	2.6
299.13040	0.5
300.07043	0.7
300.11050	1.5
301.11844	27.8
302.10193	2.3
303.13452	1.5
316.11230	1.5
317.09894	0.9
317.13687	17.7
318.12683	4.4
319.12839	2.3
326.14838	0.4
354.12006	1.9
362.11624	9.5
363.10092	4.5
378.14526	0.6
396.13052	1.6
404.12717	5.4
405.11209	1.2
422.13818	100.0
423.12213	10.5
433.91028	0.4
440.11578	15.3
440.19180	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	440.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37912	0.2
51.38204	0.2
53.03952	0.3
55.05527	0.2
57.14967	0.2
61.02915	0.4
69.03443	2.9
70.06585	1.2
72.08149	1.2
73.02914	1.1
79.89693	0.2
81.03435	2.7
81.07061	0.6
84.04494	0.3
84.08129	0.5
85.02909	3.6
87.00794	0.4
87.04427	0.3
91.05489	0.3
94.06565	0.5
97.02895	1.9
99.04462	1.3
109.02875	1.8
109.36019	0.2
114.10278	0.5
115.07555	0.3
118.06541	1.6
122.06042	1.7
127.03924	3.1
139.11191	0.9
145.04974	0.5
146.06020	11.2
147.04405	1.0
148.04742	0.4
162.05376	0.2
163.03864	1.1
165.05705	0.2
166.17470	0.2
170.09428	0.2
174.05507	100.0
176.07082	0.3
187.05980	0.2
187.10690	0.3
192.06560	18.3
193.15356	0.3
199.13293	2.2
301.11880	0.3
336.10623	0.3
354.11819	6.9
382.49112	0.3
396.12958	7.2
422.13889	1.3
423.12387	0.3
440.11896	40.3
440.22150	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	439.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14101	0.4
62.77895	0.5
69.07084	0.5
70.06580	3.3
72.04508	3.6
72.08160	8.9
79.05487	2.0
81.07056	3.2
81.54653	0.5
83.04988	2.3
84.05624	2.5
84.08134	0.9
84.57688	0.5
86.07183	1.0
87.07990	2.2
91.05467	0.9
93.07031	3.2
95.04926	0.8
95.08604	1.0
98.06045	0.5
98.43837	0.6
100.95856	0.6
105.07026	3.5
107.08589	3.5
111.04459	0.7
113.10754	5.1
114.09176	38.0
114.10339	1.1
115.08673	2.9
119.08592	3.5
121.10150	1.3
126.10325	0.8
131.08562	1.2
131.11810	5.6
133.10164	5.2
135.11670	0.7
138.10242	0.7
143.08542	0.7
145.10115	3.8
147.11710	7.2
150.09157	3.8
153.10205	0.6
156.11302	4.8
157.10092	0.8
159.11751	0.7
161.09499	0.8
167.11803	0.9
171.10054	0.7
173.14027	3.8
175.03978	0.8
185.13254	2.4
197.13992	20.9
198.12416	2.2
204.11339	4.3
206.15335	0.5
213.12766	3.2
216.13831	3.0
220.17102	1.5
222.12338	1.0
231.13783	2.1
232.17036	0.8
246.10721	0.7
263.14996	0.9
269.16098	3.9
275.18576	0.9
282.14648	0.7
284.20010	3.6
289.20227	2.9
301.22800	1.2
302.21161	5.3
317.19647	1.2
321.45816	0.7
335.20831	5.5
339.24023	0.9
353.21899	0.7
379.25946	1.2
395.22980	12.0
403.26907	2.0
421.28110	21.7
439.21786	30.1
439.29160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32125	0.5
53.42929	0.6
60.24496	0.5
76.91217	0.7
93.07033	0.8
95.04962	3.3
95.08621	0.7
105.03397	100.0
110.67750	0.6
119.06081	1.5
136.11221	0.8
137.07108	30.2
138.12773	0.8
161.07095	0.7
173.07179	5.2
181.13358	5.3
193.18982	0.6
201.10304	1.1
224.03621	0.6
253.27948	0.7
257.16464	48.3
285.15970	51.4
294.53598	0.7
303.17029	34.0
317.19681	2.5
396.04950	0.7
421.22321	0.8
439.23413	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	439.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
55.75381	0.6
57.34969	0.5
60.05636	0.9
60.77611	0.5
64.34010	0.5
66.64074	0.5
67.05514	6.5
69.03442	1.4
69.31895	0.5
70.06596	7.7
71.06925	0.6
72.08161	15.8
73.02927	2.3
77.12539	0.5
84.04506	0.9
84.08163	2.8
85.02919	4.7
86.09711	0.8
89.10800	1.4
91.05469	0.7
97.02905	3.1
97.07686	2.4
98.06079	2.5
103.05455	4.4
103.64211	0.5
109.02887	1.0
109.10187	6.4
110.07176	0.9
114.10296	37.1
115.03908	0.9
115.08692	9.4
120.08139	0.6
124.31770	0.6
127.03973	0.9
127.11205	0.9
129.10292	0.7
130.12172	0.6
131.03406	1.1
131.12927	6.3
140.08197	4.9
146.05962	4.0
147.04414	58.5
154.18654	0.6
157.10901	0.7
160.85335	0.6
163.03902	27.4
164.91792	0.6
169.46727	0.5
173.11804	0.8
177.05563	3.0
200.10693	6.0
215.07199	0.8
217.13353	4.9
218.11774	10.8
233.12956	3.7
234.11369	2.9
243.02985	0.7
243.11212	7.3
259.15622	4.2
260.14063	2.9
276.13403	6.9
277.16571	5.3
278.26428	0.6
291.05066	1.3
293.16077	25.1
293.19217	0.9
299.08066	0.6
309.06128	4.3
336.69696	0.6
393.34357	0.6
439.08838	5.3
439.22134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.4
55.25204	1.3
57.03436	2.2
61.02914	1.9
67.05176	2.9
67.05514	47.0
69.03440	8.7
72.08131	3.1
73.02917	17.8
83.08633	6.7
85.02899	15.8
85.06561	17.6
87.04534	1.5
94.40980	1.8
97.02892	14.2
109.10165	100.0
115.03910	9.0
127.03940	3.8
127.11196	45.8
131.05272	2.0
144.08109	2.6
145.04997	6.2
147.04430	6.7
156.63919	1.6
163.03931	3.4
170.09688	15.7
171.10027	11.0
177.05383	3.1
201.09152	3.0
202.09476	2.3
203.09708	2.8
206.04872	1.8
295.10208	3.1
359.37344	2.0
395.20950	2.1
439.10059	2.0
439.19958	9.7
439.25330	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2174
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
51.77330	0.8
55.05522	1.0
56.34969	0.9
57.03433	7.9
67.05511	53.8
69.03429	8.7
70.06586	6.2
71.04988	1.3
72.08178	9.5
73.02916	14.8
81.03405	2.2
81.07058	2.6
83.08624	7.7
84.08100	0.9
85.02917	23.9
85.06546	24.4
87.04424	1.4
89.10822	1.0
97.02890	20.1
105.07089	1.4
109.02891	1.5
109.10160	100.0
114.10291	2.1
115.03937	10.7
119.04952	1.0
121.02861	1.5
123.04350	1.1
127.03893	5.7
127.11188	44.3
133.04967	1.4
145.02841	4.3
145.04979	7.3
157.40822	1.2
163.03949	5.1
163.06039	1.5
165.09142	1.2
177.05452	4.4
259.08118	2.2
295.06262	1.2
295.10107	2.2
307.06131	1.7
307.20734	1.1
318.24802	1.3
325.07074	8.5
351.08661	1.5
365.10248	2.0
370.76489	1.1
380.37091	1.0
391.08008	1.9
407.19263	1.6
439.10190	12.1
439.16663	2.4
439.22418	1.2
453.12167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39705	1.2
55.05518	1.6
63.72798	1.1
67.27356	1.0
69.03452	1.5
70.06602	11.1
72.08160	62.0
83.04990	14.5
84.08153	15.8
85.02926	1.5
98.06091	2.6
110.07195	2.5
111.04472	7.1
114.10281	10.4
115.08757	2.0
121.02894	6.1
139.03952	2.7
145.02835	1.7
149.05995	19.1
151.07590	8.1
163.03918	10.4
166.08655	1.8
177.05484	20.4
178.08737	1.8
192.10297	2.1
206.08209	2.3
210.11385	2.3
213.12444	1.7
220.13322	44.2
220.15236	2.0
236.12891	1.6
237.16135	2.6
248.12785	19.1
265.15601	2.8
266.14072	2.9
335.17328	2.0
379.16483	1.4
439.21066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19441	0.5
53.91184	0.5
55.05517	1.0
56.43950	0.5
57.66663	0.5
69.03430	4.6
69.07082	1.0
78.39144	0.5
79.05483	3.0
81.03425	0.8
81.07054	4.1
83.04984	1.3
85.02902	1.5
87.00848	0.9
91.05476	1.4
93.07063	1.4
95.04952	2.5
95.08621	1.4
105.07008	2.8
107.04955	3.7
107.08598	17.9
109.02898	1.1
109.06521	1.2
109.10171	4.2
113.28927	0.6
117.07024	0.8
119.08585	2.3
121.06520	1.2
121.10149	8.4
122.07320	1.0
123.08044	0.8
127.03904	2.3
131.08580	3.4
133.10132	100.0
135.08035	7.9
135.11742	0.8
137.09624	53.9
145.10106	1.2
147.11705	1.5
149.09572	4.4
149.13240	10.8
158.10870	0.7
163.14816	1.1
168.66457	0.7
173.13226	6.5
191.14307	54.5
233.15334	0.7
245.15584	0.7
403.17493	2.4
421.18643	0.9
439.19623	3.1
441.97928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36451	0.3
55.26778	0.4
62.06091	1.0
70.02616	0.5
70.06578	0.7
72.08167	8.4
73.06536	0.9
74.49937	0.4
81.07052	0.5
83.04946	1.5
89.03909	0.6
89.10793	3.6
93.07049	0.5
95.04935	0.6
99.09203	2.7
105.07034	0.7
107.04958	2.6
107.08580	0.6
107.43496	0.5
111.04447	4.2
114.09159	1.9
117.03373	4.8
119.08550	1.9
121.10069	0.7
131.08592	1.6
133.10072	0.6
143.08507	0.6
145.02850	47.0
145.10117	1.7
147.08060	0.5
149.05936	2.0
159.07982	0.5
159.11633	0.7
160.07567	1.0
161.08032	0.5
161.09615	0.9
169.35030	0.5
173.09323	2.2
177.05470	100.0
186.09135	4.0
187.09634	4.3
188.10249	2.8
189.12781	0.9
191.10376	1.8
195.49814	0.5
197.13985	1.7
210.07625	0.9
213.12756	1.9
218.14180	3.6
219.14462	5.4
228.08621	2.1
231.13799	1.7
245.11348	5.2
246.09796	1.9
249.14780	0.6
263.12372	17.0
265.15472	4.9
270.54083	0.4
275.13828	0.7
277.10745	0.9
289.10339	0.6
296.09375	0.5
302.50900	0.4
305.28732	0.4
317.18619	1.6
318.18921	8.7
318.80688	0.4
325.07257	0.6
395.22913	0.5
421.16046	6.1
421.22885	0.8
421.27994	1.5
439.10321	0.8
439.16135	12.7
439.22113	2.4
439.29547	3.6
464.98291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	38.9
59.60827	0.8
62.96143	0.7
69.07056	4.2
71.08636	40.6
84.28578	1.0
85.10185	21.3
87.82311	0.8
87.92223	0.8
89.06034	66.1
95.90520	0.8
97.10166	1.0
99.11745	1.5
127.37867	0.8
131.38916	0.8
133.08607	23.6
142.72839	1.0
151.09622	1.6
177.11201	4.6
179.61102	0.9
193.40886	0.8
195.12230	1.5
224.70177	0.8
239.14896	20.1
271.26315	1.5
290.10187	1.0
315.29254	1.3
354.58411	1.1
377.32590	1.4
421.35251	100.0
438.37726	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	438.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	14.0
58.24638	6.4
71.08632	13.5
79.17802	7.2
83.46365	6.7
89.06036	100.0
129.54401	7.8
133.08586	29.0
153.17433	7.2
239.14848	31.6
249.27049	8.0
385.42224	9.0
421.35120	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45460	0.3
55.95951	0.3
58.06588	1.6
59.74830	0.3
60.08162	2.4
65.59285	0.3
70.06581	0.7
74.47254	0.3
81.07063	0.4
100.07608	1.5
118.08651	6.0
120.07984	0.5
126.12752	0.5
132.08266	0.4
141.01149	1.4
144.08090	25.1
145.08839	0.7
158.09613	2.0
163.03893	3.1
170.09645	100.0
171.10423	24.6
186.11465	0.4
187.12389	0.6
201.13890	6.6
202.14648	20.2
301.19058	1.7
303.04495	0.5
314.50052	0.4
335.07004	2.2
378.04596	0.4
379.05722	0.5
420.20697	0.5
421.10522	0.4
438.13452	2.7
438.25040	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14486	0.3
58.06582	0.9
69.05704	0.3
70.06582	0.6
72.08139	0.8
84.08158	0.4
91.30743	0.4
102.23512	0.3
114.10274	0.5
139.12325	0.4
144.08086	25.3
145.08888	0.8
158.09679	2.6
161.47636	0.4
163.03917	0.4
170.09642	100.0
171.10423	28.2
171.11899	0.9
186.11505	0.5
201.13872	8.2
202.14651	20.7
301.19128	0.8
327.38171	0.4
438.25021	69.5
455.51590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87624	0.6
68.29124	0.5
70.06578	1.4
71.97295	0.6
72.08145	1.1
87.33385	0.6
91.50164	0.7
93.96397	0.6
100.42033	0.7
107.04959	1.1
144.08087	24.3
158.09628	1.2
170.09641	100.0
171.10422	26.4
201.13821	6.8
202.14656	16.9
234.07219	0.8
438.25104	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.2
56.91840	0.8
57.03446	16.7
59.87152	0.9
61.02943	7.8
65.90336	0.9
67.05511	62.7
69.03439	17.2
71.01367	1.6
72.08170	1.7
73.02922	44.8
81.03432	2.5
81.07081	8.3
85.02908	31.9
87.04495	1.8
91.03940	1.5
93.07050	2.2
95.08575	1.1
97.02895	34.4
103.03874	1.1
109.02845	1.7
109.10160	100.0
114.53780	1.0
115.03255	1.4
115.03944	23.6
116.16041	1.0
119.08611	1.6
121.10142	2.2
127.03910	11.8
130.37982	1.1
133.04984	5.5
140.59874	1.1
145.04974	9.9
150.07570	2.1
163.06021	4.2
167.06984	1.5
170.09647	1.2
223.05984	4.6
241.07086	3.9
241.14362	1.3
259.08072	7.6
261.57803	1.2
271.15289	1.4
281.13507	1.0
289.16644	1.4
295.10254	8.8
438.22998	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	438.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	0.2
53.12849	0.1
63.44235	0.1
69.72850	0.1
70.06598	0.3
71.08639	12.4
72.08164	0.6
87.46012	0.1
88.11277	100.0
116.83391	0.1
120.06602	0.1
120.08118	0.9
123.05560	0.3
123.26023	0.2
159.07608	0.2
165.19585	0.2
176.07085	0.2
184.84761	0.1
190.14307	0.2
293.96979	0.3
421.16956	1.0
438.09161	0.2
438.14331	0.3
438.19785	0.9
438.23865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98942	1.3
69.03418	4.7
69.07065	2.9
69.60787	1.0
71.08276	2.1
71.08638	47.1
81.03422	4.9
85.02911	21.6
87.00818	6.4
97.02917	11.9
99.04472	2.5
99.08097	100.0
102.29568	1.3
105.01867	7.8
109.02882	6.5
114.51568	1.2
127.03931	12.8
129.12730	11.3
145.05011	2.6
155.08492	1.9
155.14282	2.6
159.02884	1.5
170.09602	1.9
173.15375	81.0
296.95828	1.5
438.15244	1.5
438.21509	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	438.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74651	0.8
53.03965	1.3
55.01889	1.0
55.05517	5.1
57.03445	1.6
57.07075	5.7
59.05003	3.9
61.02923	5.3
67.05516	1.5
69.03434	9.2
69.07072	3.8
71.04988	4.0
71.08633	7.7
73.02926	1.1
73.06566	38.1
79.05497	0.9
81.03423	4.2
81.07065	14.5
83.08628	7.3
85.02908	24.6
85.06543	8.0
85.10193	1.2
87.00841	9.9
95.08623	15.6
97.02895	14.0
97.10178	11.5
99.04466	7.6
105.01883	9.6
107.48573	1.1
109.02879	9.6
109.10176	1.9
110.02453	1.5
111.11732	1.8
113.13259	1.0
114.10295	1.5
127.03918	20.0
135.57838	1.0
137.13271	49.0
145.04968	1.9
155.08556	2.1
155.14316	91.9
159.02890	5.7
167.07030	7.5
173.15370	100.0
213.03902	1.0
219.52968	1.0
222.32755	1.1
231.05072	2.1
243.78719	0.8
249.06123	0.9
309.50238	1.0
350.73880	0.9
408.19144	1.3
438.21536	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	438.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95760	1.7
69.07093	1.9
81.07060	2.7
85.02873	1.7
88.02248	2.1
92.17823	2.0
95.08610	3.3
99.08127	2.9
100.02206	37.9
101.00625	3.3
105.01888	1.7
118.03242	3.7
121.10126	2.8
137.13277	2.2
140.92534	2.0
146.02716	100.0
147.01108	2.7
155.08624	2.4
155.14362	1.8
164.03743	27.6
168.78957	1.8
173.15352	7.8
190.95784	1.6
438.17752	1.8
438.23254	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91448	0.7
54.05999	0.6
59.71375	0.5
67.67371	0.6
82.05289	0.7
83.96056	0.6
108.48598	0.7
111.45912	0.6
120.01189	1.2
160.07579	25.2
161.08078	0.8
170.09637	1.4
174.09157	2.8
186.09148	70.8
187.09915	52.1
212.10733	0.9
217.13365	2.6
218.14148	91.8
219.14473	0.7
228.13745	0.8
273.19553	1.6
294.11700	0.9
317.18607	100.0
326.09891	0.7
350.50470	0.8
351.17331	2.8
363.17548	1.4
418.26117	0.8
438.20511	75.8
438.25476	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	438.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84825	0.5
51.70100	0.6
53.03969	0.6
55.05521	0.5
56.94817	0.6
57.03446	0.6
57.70126	0.6
64.39560	0.6
67.05512	7.1
69.03427	5.2
69.07068	1.1
70.06601	16.3
71.04983	1.0
72.08163	1.0
73.02924	1.0
79.05507	0.6
81.03426	5.2
81.07074	9.6
85.02916	18.9
85.06519	0.7
87.00845	7.6
92.18500	0.7
93.07075	1.2
95.04958	0.8
95.08615	14.2
97.02905	8.4
99.04456	8.0
99.08097	4.1
105.01888	9.0
109.02898	11.9
109.10170	72.8
119.08592	5.0
127.03931	20.0
129.09183	0.8
130.08661	1.1
137.09634	65.8
145.04971	3.7
147.04399	1.1
155.10680	100.0
159.02919	3.2
163.03915	1.4
173.11743	37.1
187.05939	0.9
213.03944	3.7
215.12901	0.8
231.04930	6.6
240.86490	0.7
249.06102	1.1
274.12756	0.7
341.16251	0.8
367.13834	1.3
385.15012	10.1
403.16068	8.4
438.17245	8.9
438.30209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23837	0.3
61.42145	0.3
68.05038	0.3
69.03446	1.6
70.06601	100.0
72.08160	2.5
81.03435	1.6
81.94515	0.3
82.06566	1.1
83.04987	0.4
84.04531	0.3
84.08155	0.6
85.02921	1.4
86.09728	0.5
90.10081	0.3
97.02923	2.3
99.04450	0.5
109.02894	5.2
110.06046	3.1
112.07594	1.3
114.10302	0.7
117.05363	0.3
123.04446	0.4
127.03910	3.8
127.38105	0.3
128.07089	6.8
130.08653	11.6
135.04410	0.4
145.04997	0.7
147.04431	2.1
163.03876	2.3
164.04366	0.3
170.09659	1.5
187.05980	0.6
232.09711	0.4
238.10574	0.4
256.11801	2.7
274.12817	6.3
274.15707	0.4
276.08688	0.6
289.83282	0.3
406.24527	0.4
416.16678	0.3
438.17575	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.3
57.07073	5.1
67.05512	28.6
69.07066	5.8
79.05487	7.5
81.07063	42.6
83.08625	4.5
86.75974	3.5
93.07036	19.0
95.08624	48.3
97.06532	4.9
97.10156	4.2
105.07037	6.7
107.08592	18.6
109.10169	28.6
119.08571	9.3
121.10134	8.2
123.11642	3.7
126.60905	3.6
131.08569	6.9
133.10147	7.7
135.11691	16.4
144.10361	4.2
145.10155	8.1
147.11746	4.7
149.13257	5.4
159.11768	7.2
171.11761	3.6
185.13345	5.0
201.91377	4.0
384.32571	8.3
385.31061	20.5
402.33749	34.8
403.32175	7.0
419.36325	6.4
420.34711	27.3
437.37491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62648	0.3
57.46165	0.3
68.05047	0.4
69.03445	1.5
70.06597	100.0
72.08170	4.8
73.51691	0.3
75.47908	0.3
81.03432	1.6
82.06590	2.1
83.05022	0.3
84.08158	1.5
85.02923	2.4
87.07982	0.3
95.08625	0.5
97.02914	2.1
99.04504	0.6
109.02881	6.8
109.10151	0.5
110.06040	4.8
112.07588	2.5
114.10305	3.7
115.08693	0.4
115.82128	0.3
123.04454	1.3
127.03915	4.1
128.07086	10.4
130.08643	12.7
135.04480	0.3
137.09662	0.7
145.02815	0.6
145.05000	1.8
147.04393	2.3
157.10907	0.5
163.03922	4.0
170.09711	0.6
172.09715	0.5
177.05518	1.3
178.08601	1.2
187.06035	1.3
196.04474	0.4
204.10252	0.3
206.08131	0.5
220.09698	0.6
230.08330	0.3
232.09911	0.4
238.10757	0.4
256.11743	3.3
265.06863	0.4
269.12891	0.5
274.12811	7.7
304.16913	0.3
315.13129	0.3
378.21396	2.7
406.20157	2.9
407.75247	0.3
432.53717	0.4
438.17523	57.0
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	Melissoidesin E
Peak:m/z	Relative Intensity
50.68583	0.2
57.07070	1.4
57.48972	0.2
67.05511	0.3
81.07069	0.3
86.72823	0.3
89.03920	0.6
95.08597	0.3
104.00870	0.2
117.03387	3.9
131.54366	0.2
145.02856	40.3
149.06001	2.3
177.05475	100.0
186.05542	0.5
207.11305	0.3
219.88158	0.2
252.89807	0.3
277.21494	0.3
308.19739	1.0
374.24255	0.4
392.25473	1.8
437.25461	0.4
457.67465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2769
Annotation	Eurystatin C
Peak:m/z	Relative Intensity
70.06570	0.5
70.38798	0.4
70.83732	0.4
71.02974	0.4
72.04512	2.1
72.08172	3.5
81.07044	1.1
84.05630	5.1
85.26522	0.5
87.07957	0.7
92.12402	0.4
92.18404	1.0
93.07050	2.1
95.08598	1.8
97.06465	0.5
97.83263	0.4
98.06039	0.5
99.07986	0.5
100.07601	2.3
105.07033	1.0
107.08592	1.7
111.08022	0.5
113.10761	1.0
114.09174	24.1
115.08685	0.6
116.05338	0.4
119.08572	1.0
120.08121	1.1
121.10120	0.7
122.09653	0.5
123.11639	0.5
125.05938	0.5
131.08537	0.8
131.11795	1.8
133.06471	0.5
133.10129	0.7
135.11742	1.9
138.10262	2.0
145.10115	1.9
150.09145	1.0
156.11317	1.1
157.10072	0.7
159.11682	0.6
185.13210	0.5
191.10689	0.7
192.46063	0.5
197.13985	35.2
199.14583	0.6
201.12732	3.0
221.08089	0.6
229.12306	2.2
237.13472	2.8
247.13371	0.5
251.13760	0.6
260.65247	0.5
269.16049	7.0
272.20093	1.9
277.65494	0.7
293.23566	0.7
300.19638	2.0
316.06702	1.1
317.22186	0.8
318.20581	0.6
324.19171	1.0
325.18777	0.7
378.23865	2.0
419.26614	2.4
437.27585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51177	0.5
61.73723	0.6
84.04505	1.1
88.11269	8.4
101.16548	0.7
107.08701	0.6
108.27193	0.6
134.84360	0.6
147.04399	1.1
161.05940	0.8
162.06770	2.8
163.03841	1.3
171.14883	3.5
178.06256	3.5
189.05470	2.7
190.06258	22.5
191.03435	4.9
191.07104	1.1
193.08604	17.7
199.14455	2.9
200.12787	4.9
206.05739	6.3
215.15491	0.8
216.15685	0.6
217.15468	13.1
221.08090	100.0
274.38190	0.8
322.18756	0.7
367.23987	0.7
402.12201	0.6
437.22321	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	437.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25380	0.1
51.03155	0.1
56.79544	0.1
78.04694	0.7
78.26465	0.1
79.05480	0.2
93.07059	0.2
99.42664	0.1
105.07010	0.6
106.04205	0.2
107.04975	0.9
121.06478	0.2
123.04406	1.4
124.05184	0.3
132.39455	0.1
133.06505	0.6
134.60588	0.2
149.05980	0.7
151.03885	0.4
152.04597	0.5
161.05928	1.1
163.06186	0.1
167.07036	100.0
168.07391	1.6
169.07516	0.7
177.05397	0.2
179.07048	0.6
181.08623	0.6
193.08621	4.1
197.17355	0.2
211.09682	6.8
217.12154	0.2
437.21573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60670	0.7
52.57923	0.6
74.27159	0.7
81.07056	1.2
88.11268	3.1
93.07104	0.9
109.10143	0.9
119.08499	1.1
119.60801	0.9
121.10117	1.1
136.50365	1.1
162.06807	1.6
163.03867	0.9
171.14940	6.3
178.06271	3.4
189.05438	1.4
190.06276	21.5
191.03429	5.8
191.07094	1.0
193.08594	15.9
197.72467	0.8
199.14426	7.7
206.05795	8.6
221.08096	100.0
271.20450	0.8
437.22458	4.8
448.05753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53762	1.0
55.05511	1.8
57.03432	1.7
57.24086	1.3
65.89233	1.1
66.22509	1.3
67.05507	3.0
69.03416	6.7
70.06577	2.3
72.08131	8.3
79.05497	2.1
81.03407	6.1
81.07060	2.5
83.04975	1.9
84.08131	2.1
85.02884	5.6
85.06529	2.5
86.09700	1.5
87.00815	1.8
91.05464	1.7
93.07062	1.7
95.04947	2.4
95.08608	22.4
97.02882	7.1
97.06516	7.6
97.07604	1.7
99.04421	1.9
105.07014	7.5
107.04909	1.3
107.08566	5.9
109.02871	8.8
109.06509	2.8
113.05972	3.1
114.10303	3.0
119.08545	7.9
120.08093	2.3
121.06505	1.7
121.10133	2.1
123.04397	1.7
123.08056	16.2
127.03926	14.6
128.07066	1.7
133.10081	1.9
135.08018	4.6
135.11635	2.5
137.09660	2.6
145.10165	1.5
146.94748	1.3
147.04398	1.8
147.08015	2.8
147.11668	8.5
149.05956	1.5
149.08453	1.5
149.09625	14.5
151.07529	2.6
151.34628	1.3
153.05417	1.6
156.09323	1.9
159.11639	2.6
161.09668	1.8
161.13226	6.7
163.03844	9.3
163.11107	1.5
165.09096	2.6
165.12679	2.4
167.07034	2.7
168.07355	1.4
173.09277	2.5
177.05432	2.0
181.04997	3.2
187.11163	2.2
189.05235	6.2
189.12779	17.0
191.10342	2.1
193.08611	9.4
195.03125	1.2
195.06532	7.2
207.13805	20.2
211.09601	6.4
213.03918	2.9
227.05350	1.9
241.07262	1.4
275.07474	1.5
315.19470	1.4
351.09735	2.1
351.17685	1.6
393.11465	7.1
428.20660	1.6
437.10483	100.0
437.22879	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1811
Annotation	Huazhongilexin
Peak:m/z	Relative Intensity
51.79414	0.6
59.47566	0.7
61.37743	0.6
63.67241	0.6
69.44181	0.5
74.92667	0.6
77.96369	0.6
79.05491	1.4
88.15960	0.8
91.05486	1.2
95.04942	0.8
98.68166	0.9
103.05457	0.8
105.07044	16.8
107.04940	1.2
107.08570	0.7
108.05758	0.9
109.06546	1.3
118.04155	4.0
119.04931	3.0
122.07268	1.0
123.08067	1.2
124.05218	1.1
125.05956	0.9
133.06503	20.5
135.08093	3.0
137.05962	9.2
143.89044	0.7
147.04366	0.8
149.06059	1.1
150.06766	11.8
151.07574	6.9
153.05464	1.2
161.05989	4.4
163.03983	0.7
165.05438	3.8
165.09128	19.5
167.07027	13.6
168.07817	2.4
177.05559	0.9
178.06155	0.8
179.07101	3.1
180.07822	3.1
181.04985	11.4
181.08524	0.8
183.06522	0.9
193.08611	87.8
205.08594	4.8
207.06537	1.3
208.07236	6.3
208.78346	0.7
211.09653	100.0
225.07651	8.5
226.08253	1.0
227.72200	0.9
252.41817	0.9
437.17615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1814
Annotation	Huazhongilexin
Peak:m/z	Relative Intensity
50.09905	0.4
51.73765	0.4
57.03445	19.3
62.11257	0.4
65.03947	0.7
67.05518	1.1
68.66183	0.6
75.04482	5.0
75.22894	0.5
79.05494	2.4
91.05489	8.7
93.07029	3.0
95.04973	12.5
95.08591	2.3
105.03391	0.5
105.07045	1.2
107.04953	1.1
107.08591	1.3
108.05715	2.5
109.06533	4.6
111.04399	1.1
119.03426	0.9
119.04944	8.5
119.08613	0.8
121.06474	1.9
123.04445	9.3
123.08075	31.7
125.06016	0.7
125.09659	0.8
127.07542	3.3
133.02858	1.2
133.06487	2.4
135.08075	0.6
136.05223	0.7
137.05977	7.3
140.04686	3.0
141.05484	2.1
147.04454	1.1
149.05928	0.7
151.07549	55.1
152.08340	3.1
153.05461	5.0
154.06219	2.5
155.07050	14.8
155.10677	9.6
155.14011	0.5
159.08044	0.5
163.07443	0.7
164.04700	0.8
165.05481	7.0
166.06215	2.3
167.07066	1.3
168.07788	2.5
177.05428	0.9
179.07024	13.1
180.07802	7.3
181.04970	30.1
182.05696	0.7
183.06531	3.5
183.10175	15.6
183.11717	1.0
193.04991	2.2
195.10118	4.2
197.08093	1.0
207.06560	3.5
207.10194	2.4
208.07318	14.1
209.08069	0.6
211.09657	100.0
225.07590	15.2
226.08333	3.7
237.11320	0.6
255.12227	0.8
271.53345	0.6
285.07632	0.9
317.10159	1.0
323.09497	0.6
347.11313	0.8
357.12869	0.6
387.14127	0.7
393.92911	0.6
419.17053	0.6
437.18445	3.2
441.30869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
61.92281	1.8
67.05500	2.2
81.07044	2.2
83.04971	4.2
92.11882	1.7
92.17908	2.2
93.07034	2.5
95.08572	2.0
108.77578	2.5
110.09677	9.8
147.78767	2.5
184.07840	2.9
200.66490	2.4
226.12755	3.3
242.15756	12.0
254.15756	55.4
332.16580	2.6
395.96692	2.0
418.27515	14.0
436.28793	100.0
455.36670	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	436.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76321	0.5
62.74170	0.5
74.84409	0.6
83.78291	0.5
84.01781	0.6
86.20360	0.6
105.49061	0.6
108.13602	0.6
114.09150	1.3
127.28506	0.6
146.93047	0.6
160.07573	30.1
161.08316	0.7
164.07047	2.7
169.39221	0.6
170.09596	0.8
174.09146	1.2
186.09148	91.8
187.09929	46.3
207.62363	0.7
217.13359	4.8
218.14154	58.4
316.20206	100.0
325.51276	0.6
401.92209	0.6
402.56543	0.6
436.21140	1.3
436.26050	11.9
453.18277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64883	1.8
52.73259	1.8
55.05513	4.7
56.29105	1.9
57.03434	4.3
61.02943	3.2
66.57732	1.7
66.68198	1.8
67.05507	2.6
69.03429	4.9
69.07095	15.6
70.06599	22.1
71.04990	4.7
71.52647	2.2
72.08154	13.7
75.04504	2.3
79.05492	4.2
81.03397	2.9
81.07053	21.7
83.04995	22.3
83.08630	3.2
84.08133	4.1
85.02905	46.0
85.06523	4.1
86.09702	5.0
87.04475	3.3
91.05470	9.0
93.07056	24.9
95.04980	31.8
95.08607	27.1
97.02904	13.0
97.06532	3.9
97.24255	2.2
99.04424	7.8
99.08087	4.1
105.07039	36.2
107.08587	30.8
109.02916	3.2
109.06548	4.8
109.10153	18.0
117.06987	3.1
119.08583	62.6
121.06490	3.6
121.10164	23.2
123.08078	16.8
123.11674	2.6
125.09587	10.3
127.03922	10.4
127.07542	13.4
130.04959	2.5
131.08551	30.5
133.06499	3.6
133.10144	67.5
134.32121	2.2
135.08061	4.4
135.11714	30.1
137.09616	17.7
143.08505	4.4
145.04968	13.9
145.10126	52.6
147.08070	14.4
147.11699	44.0
149.09613	9.8
149.13246	8.8
157.10065	9.4
159.11705	22.9
161.05975	3.5
161.09627	9.4
161.13264	93.4
163.03923	11.4
163.06096	2.8
163.11169	10.5
165.05495	4.6
165.09116	17.7
167.07050	9.0
170.10928	11.3
173.06009	2.9
173.13263	50.2
175.14859	26.1
178.13091	2.1
180.07806	3.3
185.11746	4.4
185.13257	56.2
187.14851	14.9
191.14285	4.1
193.15854	4.6
203.14314	100.0
205.15939	22.9
209.15367	2.3
211.09520	2.3
221.15367	93.8
222.11266	8.5
235.87105	2.2
297.13568	2.7
327.14413	31.9
436.19183	10.7
436.24512	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04873	1.7
54.83720	1.8
55.05517	12.8
67.05508	5.1
69.03427	1.9
69.07069	9.2
76.43723	2.1
79.05511	3.1
83.08634	51.0
93.07016	2.6
95.84907	2.0
97.10173	30.2
107.08587	10.1
109.10219	2.8
111.08094	22.0
125.09644	40.3
135.08070	2.8
139.07565	4.0
157.08591	16.1
171.10190	4.8
175.09656	16.4
188.87386	2.6
189.11243	28.8
213.11224	50.8
227.12788	59.9
231.12277	20.7
245.13884	20.9
315.39096	2.2
354.90018	2.1
383.20602	11.6
401.21732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14380	4.6
55.05511	27.4
67.05508	6.8
67.39255	4.3
69.03397	6.7
69.07062	8.5
70.71008	5.6
79.05507	6.2
83.08636	75.6
94.07371	5.7
97.10186	52.5
107.08578	9.3
111.08125	35.1
111.08789	5.8
123.05769	5.1
125.09640	77.2
129.09148	8.4
133.10117	4.5
139.07547	9.0
157.08595	34.1
171.10193	11.2
175.09650	37.7
175.11032	7.1
189.11247	45.7
205.08514	5.2
213.11185	63.5
227.12793	85.2
227.87169	5.4
231.12245	76.8
245.13795	89.5
279.49637	5.2
383.20700	28.3
401.21796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01879	1.6
55.05526	13.2
57.03451	1.1
69.03434	8.7
71.05004	8.8
73.02914	0.9
75.14926	0.7
81.03418	4.0
81.07082	8.4
82.97256	0.8
83.08628	100.0
85.02910	30.4
85.06532	3.5
87.00845	13.0
93.07052	7.5
93.71418	0.8
95.08611	2.1
96.08165	1.1
97.02903	13.8
99.04449	3.5
105.01878	44.7
105.96390	0.9
107.08615	6.7
109.02892	8.6
114.09191	1.1
115.03931	1.1
127.03927	28.1
135.11670	9.4
137.13286	7.2
145.04976	13.8
159.02896	3.4
172.07349	1.0
212.54718	0.9
231.05013	16.6
249.06044	30.7
284.09756	4.9
436.21527	1.0
436.32504	0.9
441.31055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.6
54.21801	0.4
55.05512	0.8
55.15394	0.4
59.05008	1.0
61.71561	0.5
69.03425	2.8
69.07059	2.3
71.04646	0.7
71.04997	14.0
72.08143	0.9
73.02901	0.5
73.06544	2.8
79.05482	2.2
81.03415	0.9
81.07062	15.8
83.08634	3.6
85.02908	11.3
87.00813	4.9
90.61276	0.6
92.17799	0.7
93.07053	10.6
95.08605	2.3
97.02895	5.9
97.06514	1.9
99.04436	1.1
102.79700	0.5
105.01859	8.1
107.04950	0.6
107.08598	9.8
109.02868	2.7
109.10168	5.3
119.08579	1.2
123.11670	0.9
125.78241	0.5
127.03927	8.9
131.08493	0.7
133.10115	0.8
135.08067	0.6
135.11700	31.8
136.07544	0.5
142.35435	0.5
145.04944	3.4
147.04506	0.7
147.11705	0.6
153.12747	100.0
159.02878	1.2
159.25343	0.5
163.04004	0.7
167.07018	0.8
168.07310	0.9
171.13799	2.0
173.04515	0.6
181.04956	2.9
182.05246	1.2
201.05424	0.5
203.17969	1.0
218.11784	0.5
221.19026	2.2
231.05038	2.5
233.08170	0.5
234.08504	1.1
249.06061	2.8
255.33620	0.5
383.16870	0.9
400.14655	0.6
436.21338	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	436.211
Annotation	Cryogenine
Peak:m/z	Relative Intensity
53.03925	2.3
55.01873	7.7
55.05520	8.0
57.07076	3.5
58.99594	4.5
59.98125	1.6
62.53271	2.0
62.99091	2.9
67.05503	4.2
69.03416	3.1
69.06699	3.3
69.07070	100.0
70.06607	3.2
72.08150	10.3
74.00663	14.1
76.02216	4.2
76.04012	3.6
76.96083	2.2
79.69509	1.9
81.07068	2.3
83.06116	2.5
83.08598	2.1
84.04506	41.8
84.08104	1.9
86.99034	3.3
87.02695	31.0
88.02220	10.0
93.07014	2.7
99.02642	2.2
99.05590	2.8
101.04230	4.2
109.10179	8.8
111.11736	14.8
112.03976	19.0
114.09130	3.3
116.01674	40.6
123.76305	2.3
127.11178	2.0
129.06584	22.0
130.05005	62.4
131.04546	2.9
135.11687	5.0
143.08897	34.1
144.01128	25.9
145.06079	10.8
148.07607	11.6
153.06516	2.3
153.12759	4.2
159.08379	26.8
161.09944	47.2
162.02200	82.0
163.03903	11.0
167.07060	3.9
169.10451	13.3
171.13654	2.1
176.07205	2.7
177.03218	15.9
186.13132	13.4
187.11531	20.1
191.16641	2.0
204.14194	9.3
214.83408	2.1
215.10852	2.5
243.92430	2.5
272.13016	16.7
289.15839	18.7
290.14139	54.1
297.80945	2.1
307.16858	79.4
330.82486	2.4
352.18243	2.8
361.18008	29.1
418.19232	2.6
427.02789	2.3
436.21219	87.8
436.31985	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	436.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08148	1.2
79.31762	0.9
85.02891	2.3
88.11239	6.3
92.17890	1.2
110.06052	1.7
110.07195	1.1
122.06014	5.7
123.04430	25.1
131.04948	1.1
133.07608	11.0
134.01106	1.1
136.07582	7.2
140.07047	2.0
147.09169	2.1
148.07632	1.2
149.05957	4.4
149.07079	1.4
149.10780	1.1
151.08656	1.3
154.08614	4.9
159.04399	6.0
163.03882	1.3
164.07069	4.7
175.03812	1.6
175.08672	72.6
177.05489	23.0
182.08136	62.3
193.04999	20.1
193.09729	96.0
200.09181	76.5
203.03381	6.3
211.05995	13.6
219.07651	24.1
221.04456	17.5
235.10724	13.7
237.08704	85.1
239.05496	22.8
255.09753	11.2
257.06458	14.8
321.56076	1.2
356.16013	1.3
374.16968	7.3
392.18103	29.1
392.22717	1.7
418.15829	2.3
436.17105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52971	1.2
58.34215	1.2
61.17563	1.4
64.13133	1.2
67.13618	1.4
115.83473	1.2
141.82938	1.2
148.38461	1.5
164.88210	1.4
193.06789	1.3
335.80389	1.5
346.19907	1.5
349.09048	25.9
377.08392	12.7
436.15799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2745
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03949	3.0
55.05515	13.0
56.49014	3.1
57.03428	2.9
57.07082	6.6
59.68523	3.2
61.23351	2.6
65.03931	5.1
67.05187	3.8
67.05516	100.0
69.03434	3.3
69.07075	14.0
75.00239	2.8
79.05498	48.4
81.06607	4.5
81.07067	95.4
82.94331	2.7
83.04988	15.8
83.08639	4.8
91.05492	22.3
93.03413	11.9
93.07050	71.4
95.04979	75.4
95.08616	97.3
97.10166	6.3
105.07005	14.6
107.08607	46.1
107.83844	4.0
109.06535	48.1
109.10176	55.1
111.04456	36.1
117.07030	6.3
119.08593	20.5
121.02892	22.3
121.10147	50.9
123.11707	34.3
130.35817	3.2
131.00070	4.3
131.08546	29.4
133.10164	24.6
135.11688	35.7
137.02377	3.8
137.13300	7.4
139.03923	40.6
145.10103	24.5
147.11682	12.5
149.13264	23.8
155.03416	30.3
156.45842	3.4
159.11667	18.8
161.13248	6.2
163.14833	12.4
167.03671	4.4
173.13301	20.2
175.14841	3.2
183.03104	3.4
185.01155	5.2
185.13293	5.9
187.14798	6.1
189.00581	16.9
199.02495	4.9
201.04202	7.6
213.04254	6.0
222.21678	3.2
243.21162	18.0
244.95737	3.3
261.22171	75.2
263.23749	4.6
277.21710	5.9
279.23248	24.0
317.47937	3.3
371.17276	47.0
381.24283	6.1
394.18936	18.2
399.25446	12.1
417.26459	23.3
435.27637	92.9
454.90839	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	435.2723
Annotation	Phe Leu Arg
Peak:m/z	Relative Intensity
52.69081	0.7
53.15438	0.8
62.85211	0.8
64.54369	0.8
67.79951	0.9
75.32827	0.8
82.94548	0.9
98.03293	0.9
128.23239	0.9
131.69301	1.0
153.59442	1.0
267.05011	0.9
267.15640	1.6
268.16220	1.8
319.89795	1.0
349.37500	1.4
422.73190	0.9
435.27219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2724
Annotation	Phe Leu Arg
Peak:m/z	Relative Intensity
53.55735	1.7
56.85016	1.5
74.95752	1.9
76.45602	2.0
80.95863	2.1
116.28990	2.0
119.08514	2.3
147.04472	2.3
180.42137	2.3
408.71689	2.1
435.27243	100.0
455.53598	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	435.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
57.03419	1.2
57.43192	0.2
58.06583	0.4
61.02929	2.2
67.05502	0.2
69.03434	6.9
69.07076	1.7
71.04968	0.9
72.08137	0.5
73.02921	2.5
79.05462	0.2
81.03416	2.1
81.07026	0.2
85.02907	12.9
85.03419	0.4
85.06521	0.7
86.09667	0.4
87.04472	3.1
91.03957	1.4
91.05436	0.3
93.07060	1.9
95.04971	0.2
97.02895	5.2
97.06521	1.7
99.04459	1.8
101.02377	0.4
107.04957	0.5
109.02857	1.7
121.06461	0.3
127.03909	4.1
131.07286	1.0
132.07199	0.3
132.08096	6.5
144.08089	23.6
145.04955	1.5
145.08827	1.4
146.09669	2.1
149.05908	0.2
156.08148	0.4
157.08826	0.5
158.09650	14.8
159.10440	0.7
163.03796	0.2
164.07132	0.2
167.07082	4.5
168.08093	2.0
169.08859	3.6
170.09662	5.7
172.11183	2.8
174.09146	1.3
179.06975	0.5
179.42603	0.2
181.05037	1.8
181.08853	2.4
182.09653	12.3
183.10428	10.3
184.11221	10.2
186.09097	0.8
194.09683	1.0
195.10455	5.0
196.11206	12.1
197.11998	2.4
198.12779	55.8
199.12302	0.5
200.10684	1.4
201.05562	0.2
208.11301	0.4
209.08220	0.5
209.12013	4.6
210.12718	1.7
211.13498	1.3
211.63931	0.2
212.14334	11.7
214.15831	0.3
216.13826	9.0
218.05606	0.2
222.12740	1.8
224.14337	37.7
225.07593	0.2
226.15851	1.9
230.15404	1.5
233.08090	1.5
240.13857	0.4
242.15388	64.8
255.18568	2.3
263.09033	0.3
273.19550	0.3
284.16458	0.8
326.59503	0.2
344.18552	0.9
360.17990	0.4
366.66388	0.3
377.34332	0.2
378.19000	2.4
386.19656	0.9
392.20663	1.2
399.14435	0.2
404.20660	22.3
417.15298	2.0
435.24936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60871	0.7
57.03434	1.1
58.88481	0.8
61.02923	1.4
69.03438	6.4
69.07077	0.9
70.06602	1.8
71.04978	1.7
72.08146	4.9
73.02919	0.9
81.03416	1.1
81.07073	0.9
83.05004	0.9
84.04465	0.9
84.13213	0.7
85.02918	10.6
86.09710	1.6
87.04485	1.7
87.06964	0.8
91.05479	0.8
93.07037	2.8
95.04959	0.9
97.02903	4.9
99.04482	1.3
107.04984	1.3
107.75208	0.8
109.02891	1.0
109.10178	1.5
120.08132	1.1
127.03927	3.6
131.07295	1.3
131.08627	0.9
133.10135	0.7
138.39172	0.8
144.08098	15.1
145.04985	1.2
145.10020	0.9
146.09653	1.0
158.09630	12.2
159.10425	16.4
164.56870	0.8
164.58894	0.9
167.07080	7.5
169.08917	1.4
170.09682	1.5
172.11256	4.6
181.04973	11.2
181.08783	1.3
182.09656	11.0
183.10512	6.7
184.11284	4.8
186.09123	1.7
187.08649	1.2
187.13364	1.1
195.10501	3.8
196.11232	12.3
197.12064	1.3
198.12785	48.4
200.10692	0.9
201.05348	0.9
209.12013	4.7
210.12798	1.7
212.14349	13.0
216.13885	4.4
218.05664	1.0
222.12801	1.0
224.14348	43.5
226.15929	1.4
230.15425	0.9
233.08151	6.7
240.13815	1.2
242.15398	52.0
259.09686	0.9
263.09119	1.0
294.62180	0.9
313.71802	0.8
350.65298	0.8
360.18375	0.9
366.66092	0.9
378.19196	5.1
387.14621	1.0
404.20685	23.1
417.15518	6.1
435.20364	8.6
435.25070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.6
64.29869	0.3
70.06589	0.5
72.08147	1.6
80.75794	0.4
81.94016	0.4
140.18756	0.4
144.08090	27.2
145.08786	1.6
152.64197	0.3
158.09698	0.9
160.07562	6.1
163.03838	0.7
167.07051	11.4
170.09642	100.0
171.10420	28.6
174.11543	0.4
175.75020	0.3
181.04904	0.5
182.09561	0.5
183.06624	0.5
186.09123	16.5
187.09921	7.3
196.11252	2.2
198.09135	0.4
201.13831	4.2
202.14650	25.0
210.12859	0.4
212.10664	0.4
217.13344	0.7
218.14134	5.0
224.10696	1.5
225.07590	0.9
238.12253	0.5
242.11757	2.0
273.16238	0.5
309.25577	0.4
418.18683	0.4
435.24973	84.8
446.18420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94280	0.6
57.40835	0.5
61.02949	0.6
79.34463	0.6
85.02886	1.0
92.18392	1.2
107.04987	0.8
108.08099	0.8
117.08574	0.7
127.03940	1.0
144.08084	60.0
145.08865	3.0
158.09621	4.8
160.07626	3.8
167.07043	10.4
170.09642	59.9
171.10428	13.0
172.09941	1.1
173.10800	1.1
181.04956	3.3
182.09761	0.9
186.09120	7.7
186.12915	0.7
187.09894	2.3
187.12213	5.5
188.13087	30.4
189.13879	5.2
196.11227	1.0
197.89383	0.7
199.12325	1.0
202.06430	0.9
217.08627	12.3
218.14169	1.3
234.50298	0.8
238.15955	1.1
247.09764	1.1
255.11201	0.8
255.18642	2.6
256.13153	0.9
273.16794	0.7
273.19580	5.8
417.15442	0.9
435.25064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60669	0.4
52.90435	0.4
58.06556	1.0
64.02605	0.5
65.77471	0.4
67.05466	1.1
68.47406	0.4
69.03380	2.2
70.06529	0.7
72.08130	0.5
81.03378	0.7
85.02857	3.3
92.18330	0.8
95.04921	1.9
97.02841	1.1
107.04943	0.6
117.05757	0.8
120.08049	0.6
127.03857	0.8
130.06482	2.4
131.07242	2.1
144.06961	1.0
144.08086	27.0
158.09651	1.2
160.07562	10.0
161.07118	7.6
167.07088	1.9
170.09641	100.0
171.10426	24.5
174.11491	7.2
181.04944	4.0
181.08904	0.8
183.06737	0.6
186.09138	23.9
187.09895	11.2
187.12430	0.9
188.13048	1.9
196.11243	7.4
196.71660	0.5
198.09152	8.5
201.13843	3.6
202.14656	22.5
210.09085	0.6
212.10759	4.3
216.10181	8.4
217.13422	0.8
218.14137	10.8
224.10709	5.5
227.08185	1.8
227.11856	1.1
230.11838	1.9
233.08070	1.0
242.11736	16.7
242.14066	0.6
245.12964	0.6
255.11295	4.8
256.19272	0.6
273.12427	12.5
273.16064	7.7
273.19733	2.2
322.51907	0.6
386.16302	0.6
418.18988	2.1
435.25333	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65704	0.1
53.87394	0.1
55.05482	0.3
58.06568	0.9
63.24189	0.2
64.10192	0.2
69.03416	0.6
70.06606	1.4
72.08168	2.0
73.02894	0.8
74.06062	0.2
81.03388	0.2
84.08120	0.3
85.02872	1.0
86.09702	1.6
88.91007	0.2
97.02896	0.5
98.06011	0.9
103.05464	0.5
105.01897	0.2
110.61665	0.2
114.10293	1.8
115.08646	1.1
117.05743	0.3
120.08086	0.8
123.07852	0.2
126.13617	0.2
127.03910	0.4
129.01122	0.2
130.06499	1.1
131.04033	0.3
131.04942	6.4
131.07260	1.1
143.07315	0.3
144.08095	15.0
145.05035	0.3
145.08842	0.8
152.08179	0.3
157.10846	2.5
158.09647	2.1
160.07581	22.0
161.08337	0.8
168.08057	0.3
170.09650	19.0
171.10428	3.8
172.09943	0.2
172.11217	0.3
173.10681	0.2
174.09140	1.0
174.11519	3.4
181.08827	0.5
182.09808	0.2
184.11227	0.3
184.77023	0.2
186.09148	63.5
187.03763	0.4
187.09927	29.1
187.12311	2.1
188.13091	10.8
189.13853	1.3
196.11212	3.2
198.09138	3.6
200.13132	0.8
201.13858	1.4
202.10895	0.8
202.12334	1.2
202.14705	0.3
203.11708	0.2
210.12744	0.3
212.10707	1.1
216.10223	3.5
217.13345	3.6
218.14151	28.3
219.14931	0.8
224.10732	1.8
230.11867	0.3
233.07968	0.3
242.11757	5.9
244.14470	1.1
255.18567	1.3
256.13406	0.2
261.16962	1.6
273.16046	3.6
273.19666	3.2
349.09589	0.2
391.10275	0.7
394.41742	0.2
417.17496	2.0
418.18796	1.1
435.09000	8.5
435.25128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19382	0.4
57.03440	0.9
61.02923	2.0
69.03429	5.5
69.07050	0.6
71.04991	0.8
72.08164	0.9
73.02914	1.2
81.03411	0.9
85.02914	12.7
85.06566	0.8
87.04474	3.2
91.03925	0.6
93.07078	1.0
97.02881	4.7
97.06539	0.6
99.04467	2.3
100.21745	0.5
101.02389	1.1
106.62304	0.5
109.02878	2.4
118.06396	0.6
120.08072	0.7
127.03896	3.7
131.04915	1.1
131.07349	0.7
132.08078	6.7
144.08084	23.8
145.05000	2.1
145.08879	0.8
146.09660	2.5
147.04460	1.0
157.08902	0.7
158.09631	14.1
163.23253	0.6
167.07365	1.1
168.08081	0.8
169.08881	3.1
170.09648	13.3
171.10440	3.3
172.07608	0.6
172.11229	2.3
174.09219	0.6
181.08856	1.1
182.09642	12.0
183.10443	10.4
184.11197	10.1
186.09157	1.0
194.09721	0.8
195.10477	3.0
196.11198	11.6
197.12074	4.4
198.12784	57.8
200.10811	0.8
202.14639	1.2
209.12041	4.3
210.12854	2.2
211.13535	0.8
212.14340	43.6
216.13835	7.2
222.12796	0.8
224.14348	36.9
224.16582	1.2
226.15977	2.8
230.15445	0.7
238.12265	0.7
242.11928	3.9
242.15393	58.4
254.04401	0.6
255.18477	7.0
256.13367	2.8
273.16006	2.8
378.19168	2.6
392.20792	1.1
404.20700	22.7
418.18491	0.7
435.24991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01950	2.2
70.06596	10.6
72.08160	19.3
81.03447	2.8
84.08146	3.8
86.09720	2.9
96.08110	2.6
98.06010	3.1
139.54565	2.4
139.92824	2.5
144.08086	3.4
158.09650	10.5
168.01390	2.8
194.11729	3.0
198.12785	2.9
202.10239	2.7
210.62572	2.7
222.33240	2.6
227.15431	5.1
245.16414	4.7
254.41454	2.7
270.14917	4.4
275.04868	4.0
301.02762	5.5
301.19122	37.7
416.73340	3.0
417.20099	21.2
435.13263	8.6
435.21469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63917	0.7
58.06581	1.8
59.12774	0.6
63.33764	0.8
69.03413	3.1
81.03402	1.5
85.02903	10.8
90.91982	0.7
91.03913	1.2
97.02853	5.1
117.05769	6.3
117.06451	0.7
127.03932	1.9
130.06540	13.5
130.80431	0.8
131.07309	13.1
143.07292	3.3
144.08112	5.3
149.14493	1.0
155.41011	0.8
160.07541	1.0
168.08105	5.3
169.08791	3.7
170.08223	1.1
170.09641	25.5
171.10410	3.3
174.10059	1.6
174.11519	45.2
181.08841	6.0
182.09639	3.5
182.24403	0.8
183.06721	4.0
186.09131	7.0
187.09912	1.7
196.11218	41.8
197.08345	1.7
198.09142	45.0
198.12776	1.0
202.14630	1.9
212.10695	11.6
216.10199	49.5
218.14087	1.3
224.10709	28.8
230.11742	11.0
240.09962	1.0
242.11749	89.6
273.07562	1.0
273.15970	46.4
386.15704	4.4
404.16885	3.3
435.21078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23067	0.9
58.06592	1.0
69.67416	0.8
70.06547	1.1
71.73842	1.0
72.08126	0.9
75.56744	1.0
85.02855	4.1
86.09682	1.5
86.10549	1.0
130.06485	2.3
131.07239	4.1
143.07295	1.3
144.08057	3.7
145.08797	2.1
157.08762	4.3
158.09564	1.2
160.07481	5.3
168.08058	1.3
169.08821	1.6
170.09654	11.0
172.01161	1.0
173.12764	1.0
174.11552	15.2
181.04878	1.6
181.08800	3.8
182.09564	4.9
183.06761	1.2
183.10292	1.9
184.11137	1.5
186.09160	12.1
187.09894	6.9
195.10394	2.1
196.09558	1.2
196.11221	25.5
197.08226	1.2
198.07628	1.1
198.09149	16.5
198.12645	1.5
207.06235	1.0
210.12804	12.9
212.10744	16.1
216.10257	20.6
217.85838	1.0
218.14027	4.9
224.08783	1.3
224.10704	19.7
226.12173	4.1
230.11729	11.2
238.12259	11.1
242.11757	100.0
250.12053	1.1
256.13281	11.2
273.15982	50.5
376.17194	1.0
400.17249	1.5
418.18600	19.2
435.20847	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.05028	0.7
58.06598	0.7
63.05792	0.6
65.63937	0.5
69.03412	1.4
70.06573	2.5
72.08141	1.4
84.08139	0.7
85.02906	6.2
97.02915	1.2
99.04395	0.8
103.03912	0.8
109.00124	0.6
109.02889	0.7
117.05736	3.1
119.54723	0.7
130.06514	9.3
131.07259	3.6
138.84657	0.6
143.07239	0.8
144.08084	9.0
145.08801	1.0
156.08041	3.8
157.08820	4.0
158.09648	4.6
159.06801	6.0
163.03877	3.3
168.08054	1.2
169.08855	1.3
170.08246	0.7
170.09642	13.7
171.09097	0.8
171.10397	3.0
172.07574	1.4
173.08350	1.2
174.11497	3.4
180.07928	0.7
181.08781	0.9
182.09581	3.1
183.06754	1.3
184.07532	0.7
184.11168	1.1
185.10742	26.4
194.09653	3.3
195.10382	0.6
196.11224	11.5
197.08347	3.0
197.10660	0.6
198.09152	12.3
198.12749	1.0
202.14560	2.7
208.11244	4.6
210.09215	4.9
212.10719	4.4
213.05235	0.7
216.08255	0.9
216.10222	22.7
222.09203	0.8
224.10757	7.7
226.12260	0.9
228.10146	4.9
230.11659	3.8
236.10664	3.9
240.10089	3.7
242.11742	17.6
254.11711	2.9
256.13303	1.3
258.11258	20.9
272.12726	1.1
273.07553	10.7
273.16003	0.9
284.12842	5.9
294.13339	1.3
295.14145	4.4
307.14236	4.5
308.14825	3.5
315.17026	21.4
335.15909	1.0
336.16711	5.8
346.16486	1.5
360.14288	3.4
378.15738	4.6
388.17413	0.8
391.22183	1.4
392.16980	12.9
404.16830	1.4
406.13687	0.9
406.18631	20.3
417.20139	3.1
435.21094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48781	1.0
55.01873	1.4
58.06606	1.8
59.68712	1.2
61.02918	1.8
67.05509	9.4
69.03436	8.0
81.03420	1.7
85.02912	18.9
95.04967	8.7
97.02888	5.9
109.02868	1.8
117.05772	6.2
118.06633	1.0
120.04418	1.2
122.06016	1.6
127.03923	4.0
130.06511	11.7
131.07318	13.5
133.48650	1.1
139.63347	1.1
143.07306	1.4
144.08052	8.8
156.08191	1.4
160.07640	8.0
161.07097	50.0
169.08925	2.6
170.09647	31.4
171.10435	5.3
174.11520	39.1
181.08910	4.0
183.06825	2.6
184.11119	3.8
186.09132	5.2
187.09969	2.0
196.11206	23.9
198.09169	32.3
198.12669	1.3
199.12343	1.6
201.14026	1.3
202.14709	2.1
210.09413	1.5
212.10805	15.4
216.10205	55.6
216.12331	2.2
218.14128	1.2
224.10646	17.5
227.08194	10.5
227.11746	15.7
230.11755	12.9
237.10207	1.1
240.08952	2.3
242.11760	100.0
243.11133	1.6
245.12846	6.4
255.11288	34.1
258.10117	1.5
273.12381	57.0
273.16016	57.4
362.11743	1.2
377.49585	1.0
386.16107	1.4
389.41574	1.3
392.16956	1.2
435.21338	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
57.03419	1.0
57.69093	0.5
61.02901	1.8
65.03951	0.9
67.05515	15.2
67.12302	0.4
69.03434	4.6
73.02901	0.9
80.61559	0.5
81.03405	1.9
85.02924	7.4
85.16788	0.4
87.04464	1.0
95.04971	10.7
96.04473	2.9
97.02914	3.2
109.02852	0.9
118.19337	0.4
118.98197	0.4
120.04420	0.7
122.06036	3.5
127.03927	2.1
144.08054	0.7
145.04938	0.5
160.07578	9.3
161.07108	67.0
167.08469	0.7
169.08833	0.6
175.08691	1.9
181.69470	0.4
182.09605	0.8
184.11226	2.4
186.09167	2.0
188.13005	0.7
197.08415	0.8
199.08623	0.9
199.12305	3.0
200.10767	0.6
209.10727	2.1
210.09131	2.7
211.08511	0.7
212.08902	0.6
212.10901	7.1
213.06706	0.6
213.10207	0.6
225.10240	1.6
226.07343	0.9
226.11066	0.5
227.08214	11.5
227.11763	16.9
228.10176	2.6
229.13307	0.7
237.10172	2.6
239.08168	1.0
240.08879	4.7
242.10542	2.1
243.11443	3.6
245.09090	0.6
245.12918	4.5
253.09781	0.8
255.11288	43.9
257.12827	3.7
258.09988	2.0
273.12347	100.0
350.82120	0.5
351.32104	0.5
435.08878	0.8
435.17685	30.3
435.24637	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	435.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54222	0.3
56.92128	0.3
70.06597	3.6
72.08167	7.7
84.04516	0.3
85.02898	0.5
97.07640	0.4
98.06110	0.4
99.04480	0.6
103.05479	8.0
103.06120	0.5
107.04967	1.7
114.10301	7.4
115.08680	3.3
121.10101	0.3
123.04419	0.4
130.08757	0.3
131.04939	100.0
133.10210	0.5
140.08296	0.4
144.08110	0.5
145.02905	0.4
145.06485	0.6
148.07515	0.3
150.16180	0.3
150.21513	0.3
152.08200	3.8
161.05887	0.4
163.03911	3.4
167.07054	4.8
179.07133	0.5
180.07686	0.5
181.04951	8.3
197.10254	0.5
198.08719	3.1
201.13911	4.1
202.12280	13.2
205.08676	0.6
208.10866	0.6
209.08109	0.5
215.09456	0.4
215.11440	0.4
219.14885	0.6
225.13466	0.4
233.08041	6.2
234.11252	0.5
241.09268	0.4
244.14449	4.0
251.09180	0.6
252.09630	0.5
261.17139	11.8
263.09070	1.3
270.10822	2.3
282.12408	1.2
299.15048	2.5
337.16556	1.5
345.15634	6.1
355.17383	0.5
357.15262	0.7
387.13895	0.4
399.16562	0.5
406.17566	0.6
417.17828	24.8
420.19864	0.5
434.70465	0.4
435.08728	1.4
435.18704	28.9
452.18112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1654
Annotation	Inflatin F
Peak:m/z	Relative Intensity
54.03485	1.2
55.01884	1.5
61.11926	1.4
67.05468	1.6
72.08155	2.8
75.04489	5.5
85.02895	2.6
91.05478	11.2
93.03419	14.7
93.07030	7.4
95.04969	2.1
95.08662	1.8
97.06527	2.8
102.31748	1.7
103.05509	2.6
105.04551	1.5
105.07032	2.1
106.04184	25.8
109.06497	1.6
114.09155	1.9
121.06516	37.7
125.06001	13.1
127.03964	1.7
131.04897	2.5
133.06454	2.9
133.64395	1.7
134.03616	3.0
137.06059	4.5
139.07527	2.4
148.05235	2.0
149.05994	77.5
151.07584	2.0
153.05484	2.0
153.09113	14.1
163.03929	2.2
165.05504	5.9
166.06229	2.2
167.07013	11.7
177.05476	31.2
181.04991	27.8
181.08560	21.9
189.07858	1.8
191.07060	2.1
207.06393	2.5
208.07253	3.3
209.08107	100.0
225.07639	7.6
233.08046	3.5
236.80908	1.5
417.15411	5.6
420.02084	1.8
435.20911	2.4
436.94659	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31680	7.5
59.94632	7.3
67.05500	10.4
68.35919	7.8
72.08154	9.6
81.07059	13.8
83.06065	10.1
84.04499	38.5
91.05485	12.6
93.03396	9.2
93.07053	15.0
107.08649	17.5
109.06519	9.6
109.10154	12.6
121.06557	12.6
121.10114	15.1
129.06610	57.5
130.05025	64.1
133.02826	14.6
137.05974	17.5
147.07649	39.0
149.05977	41.7
149.13257	13.6
153.05528	14.5
153.09135	16.5
163.03848	10.2
163.14851	8.8
165.05463	37.8
167.07028	21.4
177.05467	34.2
180.07826	35.4
181.04977	100.0
181.08513	32.4
208.07310	60.1
209.08055	65.5
225.07591	50.6
226.08401	40.5
233.78946	10.5
435.15988	9.2
435.32388	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03485	1.2
55.01884	1.5
61.11926	1.4
67.05468	1.6
72.08155	2.8
75.04489	5.5
85.02895	2.6
91.05478	11.2
93.03419	14.7
93.07030	7.4
95.04969	2.1
95.08662	1.8
97.06527	2.8
102.31748	1.7
103.05509	2.6
105.04551	1.5
105.07032	2.1
106.04184	25.8
109.06497	1.6
114.09155	1.9
121.06516	37.7
125.06001	13.1
127.03964	1.7
131.04897	2.5
133.06454	2.9
133.64395	1.7
134.03616	3.0
137.06059	4.5
139.07527	2.4
148.05235	2.0
149.05994	77.5
151.07584	2.0
153.05484	2.0
153.09113	14.1
163.03929	2.2
165.05504	5.9
166.06229	2.2
167.07013	11.7
177.05476	31.2
181.04991	27.8
181.08560	21.9
189.07858	1.8
191.07060	2.1
207.06393	2.5
208.07253	3.3
209.08107	100.0
225.07639	7.6
233.08046	3.5
236.80908	1.5
417.15411	5.6
420.02084	1.8
435.20911	2.4
436.94659	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1654
Annotation	NSC622370
Peak:m/z	Relative Intensity
53.53769	1.3
55.01882	2.1
57.03428	8.0
57.11695	1.3
65.03938	1.9
67.05517	2.4
71.01358	2.6
81.07046	2.5
91.05486	3.6
92.09880	1.7
92.51261	1.3
92.55064	1.7
93.07041	8.0
95.04971	3.8
95.08645	1.5
105.03424	2.6
105.07066	2.4
109.06506	3.6
111.04469	3.0
119.04962	3.4
120.05741	2.3
121.06517	7.9
121.10128	1.5
123.04418	6.5
125.05977	2.3
133.02875	6.3
133.06480	9.1
137.05988	28.9
138.06755	3.2
140.04674	3.5
147.04420	3.3
148.05135	2.1
149.05981	3.2
151.07518	7.2
153.05511	17.2
153.09059	13.3
154.06241	6.2
155.07034	7.8
165.05475	34.8
166.06233	12.4
167.07045	2.9
171.06529	2.2
176.04660	2.3
177.05495	7.2
179.07031	2.8
180.07822	42.8
181.04971	100.0
181.08574	35.7
182.05739	1.9
183.06516	2.1
193.04985	8.9
196.07341	2.0
197.08145	8.3
207.04929	1.6
207.06500	13.8
208.07330	71.8
208.09225	3.2
209.08107	40.7
211.09666	3.1
225.07588	65.4
225.09789	2.2
226.08389	45.6
231.13869	2.1
253.10735	9.2
347.11072	1.8
361.12704	2.7
417.15421	3.4
435.16064	16.2
435.25885	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	435.144
Annotation	Haplopappin
Peak:m/z	Relative Intensity
59.40473	0.5
62.62213	0.5
72.61721	0.5
80.73808	0.6
81.07057	1.1
81.09380	0.6
82.28667	0.5
92.17789	0.6
95.08617	1.1
98.66841	0.6
103.08933	0.6
107.08640	0.8
121.02866	18.0
121.06525	0.8
135.04448	5.8
145.10013	0.7
158.79489	0.6
173.09583	0.6
181.04965	0.7
215.06953	0.6
215.14278	0.9
227.68274	0.7
243.06464	0.7
257.08102	2.6
258.09058	0.6
285.04764	0.8
285.07562	5.9
300.09888	7.0
302.07895	3.2
358.08228	2.9
374.07898	0.8
379.19901	0.7
389.10220	20.7
390.07574	0.7
403.07510	0.9
403.12360	2.1
405.09689	1.2
435.14832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36594	0.1
54.17984	0.1
58.06601	0.1
62.70353	0.1
70.06609	0.2
72.08144	1.0
78.04707	1.0
79.05495	0.3
79.13452	0.1
81.07081	0.2
84.05661	0.3
84.08160	0.2
91.05461	0.2
93.07045	0.2
95.04973	0.2
102.71028	0.2
105.07057	0.4
106.04192	0.3
107.04971	0.8
114.09167	0.1
121.06512	0.4
123.04429	2.1
124.05214	0.4
124.07571	0.2
125.82487	0.1
133.06528	0.6
142.08659	0.7
149.05974	1.2
151.03947	0.3
152.04738	0.6
155.07048	0.3
161.05969	0.8
161.13377	0.2
167.07039	100.0
168.07367	0.2
179.07056	0.2
181.04977	0.3
181.08614	0.7
183.06517	0.8
193.08607	3.3
207.06483	0.2
209.08028	0.2
211.09662	5.0
225.07475	1.5
417.23456	0.2
420.19876	0.5
435.20361	0.5
435.25757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1082
Annotation	Sinaticin
Peak:m/z	Relative Intensity
51.12012	0.3
81.07084	0.5
84.68084	0.3
93.07053	0.5
110.89976	0.3
119.08584	0.4
130.33588	0.3
133.06494	0.5
135.03423	0.6
135.04425	13.8
158.41283	0.3
285.03818	0.5
361.07144	2.0
392.08948	1.3
403.08185	4.9
420.08420	5.6
435.10770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99719	0.7
56.15345	0.6
56.59531	0.6
58.06618	8.0
69.11377	0.7
104.52962	0.8
120.08087	1.9
131.07338	1.6
144.08086	9.2
145.08847	7.7
146.09650	1.5
157.08827	6.4
158.09627	7.1
167.07217	1.2
170.09694	3.3
181.08881	8.7
182.09636	18.6
183.10513	5.1
184.11203	19.4
194.09682	3.8
195.10439	13.7
196.11211	3.1
197.08366	37.4
198.12845	7.3
200.10797	3.3
205.08815	1.0
208.11264	1.2
210.12775	43.0
211.10001	1.7
212.10699	100.0
212.14311	5.2
220.11096	2.5
223.09927	4.4
226.12251	15.7
238.12257	46.9
256.13281	1.7
269.16589	1.1
302.50586	0.9
317.74686	0.9
344.65457	0.9
376.78622	0.7
377.18597	35.7
391.20273	4.0
403.20175	34.3
403.25327	1.6
434.24490	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04088	0.3
68.94064	0.2
71.69888	0.3
74.44794	0.3
78.30936	0.3
79.05516	1.8
81.07065	0.6
85.10204	0.3
86.09703	0.5
91.05482	0.4
93.07034	0.4
100.48936	0.3
103.05486	0.7
105.07040	100.0
120.08107	0.6
122.09686	1.7
166.12315	0.4
184.07359	0.5
184.13431	1.1
192.42302	0.3
196.13309	0.7
214.14543	0.4
242.46080	0.3
258.42468	0.3
270.18451	1.3
288.19571	17.1
295.22922	0.5
304.22742	1.1
306.20639	42.9
375.62543	0.3
416.31808	2.1
434.32669	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	434.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99838	0.9
56.97803	0.8
82.31086	1.0
92.40311	0.9
130.43314	0.9
144.08089	92.0
145.08853	6.0
145.63454	0.9
148.07603	1.3
158.09708	1.8
165.96896	0.9
170.09647	80.8
171.10461	13.8
173.10738	1.3
187.12320	10.5
188.13075	22.2
224.10669	3.4
269.16473	3.5
287.17593	1.4
354.22882	1.0
434.24411	100.0
445.65079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50245	0.5
59.29573	0.5
61.12914	0.5
62.63066	0.5
64.91405	0.5
101.73111	0.7
125.41551	0.5
129.83026	0.6
136.33688	0.6
144.08086	79.5
145.08879	3.7
147.19502	0.7
148.07626	0.8
158.09645	2.7
170.09636	70.3
171.10425	12.5
172.09953	0.7
173.10645	0.7
187.12282	8.0
188.13069	19.4
200.10728	0.8
224.10715	3.0
239.12015	0.6
269.16476	2.8
287.17642	0.7
434.24377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66753	0.5
75.97326	0.6
76.27882	0.5
79.98125	0.5
90.20314	0.6
144.08090	85.1
145.08885	3.5
148.07600	1.1
158.09631	3.2
170.09645	76.7
171.10406	13.8
173.10803	1.1
187.12280	9.1
188.13089	26.5
224.10709	3.4
269.16574	2.8
287.17560	2.5
323.38849	0.7
434.24384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63520	0.4
51.63897	0.3
58.20975	0.4
60.84000	0.4
71.58668	0.4
72.08156	0.5
120.08124	0.5
127.61432	0.5
128.04263	0.5
133.19418	0.4
139.00616	0.4
144.08087	53.1
145.08841	3.0
148.07559	0.8
157.08844	2.0
158.09669	2.0
159.09148	2.8
170.09644	61.5
171.10429	13.2
172.09958	0.5
182.08080	0.9
187.12325	9.6
188.13084	45.2
189.13812	0.7
200.13074	1.0
201.13420	0.9
202.14706	0.9
224.10570	3.2
269.16544	3.6
287.17551	2.3
315.15506	0.5
326.22406	0.7
370.21265	27.4
419.19046	0.7
434.21051	100.0
450.13840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93950	0.9
51.18599	1.1
51.59785	1.0
72.08118	2.5
75.38467	1.3
76.02224	1.6
79.05486	2.2
81.06682	1.2
81.07077	21.8
108.23557	1.3
109.06522	12.5
111.08086	2.4
122.02737	16.0
123.08070	10.3
147.08083	6.0
157.06416	1.4
159.08076	10.0
164.07042	1.5
171.08160	1.2
173.09605	5.4
185.09598	10.7
186.09032	2.0
187.11198	28.0
191.10626	2.5
199.11304	1.7
200.78973	1.5
203.10683	2.8
205.12263	24.1
211.11095	7.4
213.12723	9.1
213.43536	1.5
225.12779	2.6
229.12234	17.8
231.13792	12.0
253.12196	1.5
253.15993	1.4
265.15927	4.7
267.13812	4.7
271.13293	1.4
277.15829	5.9
279.17236	1.4
295.16904	15.9
296.17651	2.0
297.18527	2.3
309.13062	7.7
313.18091	9.7
327.14075	5.0
345.15201	51.1
434.19907	100.0
434.42642	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	434.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08153	4.8
74.03127	2.8
76.67667	3.0
88.03989	12.1
92.18509	5.3
92.61988	3.0
95.04969	4.4
103.33774	3.0
115.19669	3.1
122.02744	44.8
122.38861	2.8
133.06502	4.0
133.49815	2.6
147.08029	3.1
149.09636	12.7
157.10484	2.9
159.08003	12.3
173.09645	7.0
175.11223	12.3
183.08093	15.3
189.12782	4.7
201.09131	45.6
201.12680	4.5
211.11261	4.5
213.12839	3.9
215.05264	3.5
215.14290	14.8
223.11292	5.4
225.12766	15.1
235.11197	4.4
237.09061	5.2
241.08638	6.0
241.12201	6.5
243.13824	13.4
251.14471	4.1
253.12186	6.2
265.15915	6.2
277.16211	4.4
278.16626	14.2
279.17612	5.8
283.09711	13.9
283.16791	7.3
295.16879	16.0
345.15195	100.0
416.18863	3.8
434.20044	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62991	0.3
54.59091	0.4
55.01883	0.5
57.03435	2.8
58.57198	0.4
61.02943	0.7
62.02860	0.4
69.03435	4.3
70.06593	2.3
71.04982	2.5
72.08139	2.1
73.02930	4.8
80.25780	0.4
81.03430	6.3
84.08138	0.6
85.02898	2.3
86.09707	0.9
91.03955	0.7
95.06090	7.3
97.02890	2.3
98.66228	0.5
99.04471	8.1
109.02922	0.4
109.07623	0.7
113.07152	0.6
113.25229	0.5
114.10232	0.5
115.03909	0.5
116.07082	0.6
117.05496	7.1
118.06514	3.3
119.03429	0.8
120.04473	13.2
120.08090	0.8
122.06062	5.7
130.06561	0.6
132.04456	33.8
134.06015	5.1
134.61644	0.4
137.30151	0.5
138.05528	5.9
146.06033	3.6
150.05507	23.9
152.81027	0.4
154.06520	0.7
158.05959	2.0
172.07549	5.6
176.07024	0.7
189.09079	0.5
190.08675	0.9
191.07043	1.0
200.07045	8.8
218.05991	0.9
218.08130	27.6
236.09241	5.3
237.08606	1.9
254.10265	6.6
272.11292	100.0
331.16476	8.1
352.54791	0.4
390.23843	8.7
434.16699	2.6
434.22836	6.0
454.48599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99294	6.7
69.88179	6.7
71.44325	6.7
75.14745	6.7
81.07070	14.0
84.04512	9.9
88.11291	35.0
105.07022	13.3
105.43349	7.7
109.02916	8.7
109.06536	18.7
119.27572	8.7
133.06508	47.9
133.10141	8.6
142.52867	7.3
147.11697	17.6
153.13892	9.2
161.05946	100.0
161.13301	14.1
171.14938	49.0
175.11127	63.1
189.12793	44.3
199.14311	60.5
200.12788	16.8
217.12274	72.2
217.15541	9.7
294.00912	6.7
415.26093	9.7
433.27005	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2566
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
51.03241	0.9
57.45451	0.8
64.00753	1.1
84.62448	1.4
87.43923	1.1
92.62777	1.1
119.32359	1.0
120.52116	1.2
142.20518	1.0
287.99353	1.0
351.18295	1.2
433.25638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2563
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
71.04520	3.2
102.48841	3.5
109.92756	3.3
244.00645	3.9
351.18433	13.0
369.19571	6.3
433.25656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86123	1.0
53.51200	1.1
55.72487	1.0
58.06606	4.0
59.07387	1.0
60.08172	19.3
83.60035	1.0
95.06092	60.8
98.18533	1.1
149.01099	2.1
154.13388	70.9
174.02757	1.3
198.12378	100.0
236.08043	6.3
236.14920	91.5
259.12128	5.7
277.13190	2.1
391.09174	1.7
431.46072	1.4
433.17520	5.3
433.26700	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	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68629	8.6
55.05513	21.3
55.44074	9.2
62.45227	11.1
68.29600	11.8
72.25344	10.3
83.08627	21.7
97.10186	95.9
105.07082	11.5
107.08621	14.7
125.09680	92.9
133.06461	11.9
161.05971	23.5
171.10115	15.6
176.09119	14.0
189.11255	53.5
207.12772	11.5
227.12779	78.8
245.13818	24.4
346.58273	11.1
346.63126	12.4
374.09991	22.8
374.41086	12.4
397.21918	12.0
415.23080	100.0
433.26895	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	433.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46799	1.7
55.05513	20.2
57.03430	4.1
62.21533	1.6
67.05522	14.9
69.03426	8.5
69.07079	4.6
71.04988	2.5
72.08116	2.5
73.63181	1.9
79.05495	9.9
80.00832	1.9
81.07049	9.9
83.08638	21.0
87.04448	2.2
93.07055	4.3
94.40448	1.9
95.08638	2.1
97.10170	75.1
107.08585	20.3
109.10170	8.4
119.08564	2.5
125.08712	3.4
125.09632	100.0
130.27084	1.9
135.08047	13.6
153.09094	3.6
163.03951	4.5
171.10164	17.1
181.04939	4.2
189.11197	45.6
198.54861	2.3
227.12782	71.1
229.17912	2.7
245.13852	78.6
397.22098	14.6
415.23257	61.9
415.32010	2.6
433.21664	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	433.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.8
56.05040	1.3
60.04523	1.3
62.86124	0.5
63.39640	0.6
67.12766	0.6
69.03411	0.7
69.07061	1.0
70.06614	5.2
72.08160	19.6
74.05744	0.8
74.06091	16.0
84.04504	12.3
84.08131	1.2
84.29790	0.7
85.02900	4.4
86.06082	1.4
86.09711	100.0
87.05617	1.3
87.10000	0.8
93.57731	0.6
97.02880	0.8
98.06050	0.7
101.07133	3.4
102.05544	13.8
107.04917	0.8
107.08634	1.0
110.06099	0.7
110.07218	0.8
112.03971	1.4
112.07619	1.4
114.09129	1.3
116.07045	0.8
121.06491	1.1
122.43234	0.7
124.07608	0.8
127.03941	2.7
127.08677	3.3
130.05063	1.0
132.10208	41.4
139.07629	0.8
139.08662	1.4
140.07065	38.3
140.08159	1.3
145.09717	13.5
149.05975	1.1
150.05508	3.2
155.08203	5.9
157.13364	5.9
158.08124	14.8
159.11293	17.6
161.06104	0.7
167.06992	3.6
167.08177	12.5
167.10675	0.9
168.06566	0.9
169.06046	0.8
169.09732	0.7
173.09219	6.3
173.12845	7.7
177.05388	0.7
183.15076	0.7
185.09253	13.6
185.11661	0.8
187.10721	7.2
187.14421	1.3
195.07664	26.4
197.12787	0.9
201.08711	0.7
201.12338	5.0
203.10318	7.6
203.13927	34.7
205.11980	1.1
213.08687	17.2
215.10222	0.7
219.13496	2.6
231.09747	11.6
233.11366	1.5
233.14990	1.7
238.11858	11.3
247.12883	16.8
255.17058	0.6
256.12912	0.9
259.16373	0.7
266.11319	9.0
282.18185	1.2
284.09476	1.3
284.12442	16.3
300.19180	4.2
302.13528	10.5
347.04385	2.5
347.16565	0.8
369.21289	7.5
397.20981	8.5
415.21893	12.1
433.16580	10.7
433.22983	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	433.15
Annotation	7-Hydroxy-3',4'-methylenedioxyflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
81.07070	0.6
85.02886	0.5
92.18449	0.5
95.04976	0.6
97.02880	0.5
107.04958	47.8
114.09174	0.4
121.06485	2.0
130.30884	0.3
144.08101	16.2
145.07545	0.5
145.08440	9.2
149.05975	13.9
158.09654	0.8
159.09976	0.4
165.05463	25.8
167.07054	0.4
170.09641	48.3
171.10005	47.4
172.10751	12.2
177.05463	52.3
181.04974	0.7
201.13867	2.1
202.14606	9.6
203.14992	9.2
205.43724	0.4
229.08694	0.7
242.05794	0.8
243.10185	0.5
253.08614	0.9
271.09634	100.0
375.01770	0.4
433.14386	2.0
433.23459	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	1.0
60.04493	0.2
63.57706	0.2
70.06583	0.4
72.08141	1.4
81.69321	0.2
84.04461	0.3
85.02913	0.3
86.09704	1.8
92.47190	0.3
93.07022	0.3
109.10188	0.3
124.51427	0.3
127.03936	0.4
130.05013	0.5
160.07578	37.7
161.08330	1.1
164.07054	1.6
170.09636	1.6
174.09097	0.5
181.04851	0.3
186.09146	100.0
187.09932	31.6
187.11215	0.7
199.14822	0.3
203.11804	0.6
203.89940	0.3
217.13408	3.4
217.15411	0.4
218.14142	20.2
243.03178	1.2
253.17892	0.5
289.03549	0.3
317.18631	1.2
348.19391	0.3
364.64951	0.5
375.29315	0.3
433.19717	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1496
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
52.59189	0.4
60.92350	0.4
65.03928	0.6
67.05511	0.5
71.11118	0.4
76.06679	0.4
79.05489	2.9
85.02898	0.8
91.05473	0.5
95.04968	3.7
102.91512	0.5
105.07038	1.7
105.44164	0.4
107.04958	13.7
111.04464	0.6
115.05408	0.5
116.51635	0.5
122.79691	0.5
123.04417	4.9
124.05186	1.7
125.05959	0.8
126.26797	0.4
133.06512	5.5
138.11253	0.4
140.04701	0.6
142.02625	0.6
144.08070	1.0
145.06555	0.6
149.06021	1.0
152.04660	0.5
153.05475	3.0
153.09056	0.5
155.07036	1.9
161.05991	11.9
163.03918	1.0
167.07042	21.5
170.09633	3.6
171.06570	3.2
171.10484	0.5
178.06375	0.6
181.04955	100.0
183.06480	0.8
189.05466	1.8
191.07013	0.8
192.95630	0.5
193.08604	17.8
205.08586	0.5
206.05702	1.0
209.08012	0.9
215.06439	0.5
219.08046	0.6
221.05896	0.9
221.08086	26.5
223.05937	0.7
249.07523	6.0
297.11310	0.6
312.09604	0.4
313.10876	0.7
341.10098	0.5
372.12024	0.9
373.12955	1.0
401.12372	1.8
403.13867	71.0
433.14880	9.5
433.23819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1499
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
51.49044	0.4
58.23844	0.5
61.39315	0.4
65.03939	0.8
65.76938	0.5
70.06579	0.7
72.08147	1.1
74.44446	0.4
79.05482	2.7
81.07014	0.5
84.08168	0.5
85.02894	1.0
92.18351	0.5
95.04956	2.9
97.28977	0.6
105.07030	2.5
107.04310	0.9
107.04967	16.0
110.03686	0.5
117.07034	0.5
123.04460	3.7
124.05195	2.9
125.06001	2.2
133.06480	5.1
137.06006	0.6
138.03188	0.6
145.06471	0.8
146.26920	0.5
152.04684	0.6
153.05447	1.2
155.07040	3.5
157.90305	0.4
160.07578	4.5
161.05980	11.6
161.07916	2.9
167.05608	0.8
167.07040	19.8
170.09590	0.7
171.06532	3.1
181.04959	100.0
183.06534	1.1
186.09164	6.6
187.09528	10.1
188.10269	3.0
189.05453	1.9
191.60069	0.5
193.08614	18.4
205.08504	0.5
206.05711	0.9
218.14079	2.1
219.14531	2.2
221.08099	27.3
233.08095	0.8
249.07539	6.9
341.10196	0.7
342.11230	0.6
372.11880	0.6
403.13873	72.9
415.13708	1.0
433.14990	13.7
433.21597	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	433.1287
Annotation	Torin 2
Peak:m/z	Relative Intensity
62.19543	0.2
67.05493	0.2
74.68560	0.2
95.08611	0.3
99.02204	0.2
105.07037	0.3
118.95020	0.2
121.02872	22.3
136.77492	0.2
196.72226	0.3
211.46190	0.3
246.97647	0.2
256.07352	1.2
283.06009	3.0
298.08389	4.3
300.06345	2.3
387.08658	24.8
401.10095	2.1
433.12842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1497
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.71642	1.3
81.07067	1.5
131.13545	1.5
135.58734	1.5
137.77834	1.6
143.40309	1.6
143.57874	1.6
149.44890	1.5
205.22763	1.6
217.08615	13.6
235.81097	1.6
267.30533	1.8
269.02280	1.5
272.50803	1.4
281.20126	1.5
342.07257	2.4
357.09686	10.8
375.10733	2.1
380.62299	1.5
385.09305	3.6
388.07867	6.9
388.47614	1.4
403.10257	100.0
418.12820	2.3
433.14966	98.3
433.24576	2.7
438.40710	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.17689	0.1
53.45529	0.1
63.50228	0.2
64.71624	0.1
66.42140	0.1
70.06595	0.8
72.08153	1.1
75.70697	0.2
84.08154	0.2
86.09720	0.3
88.98483	0.2
95.06043	0.2
109.10172	0.2
114.12775	0.2
115.13190	0.2
123.04437	0.4
144.08122	0.3
153.01801	0.3
159.11772	0.2
159.50168	0.2
163.03880	1.4
164.11545	0.2
170.09685	1.3
177.05446	0.2
181.04939	0.6
194.67331	0.1
202.14633	0.2
271.06015	100.0
285.45782	0.2
411.24088	0.2
433.11255	4.8
433.19971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
55.05507	0.6
65.53749	0.6
67.05506	0.7
70.06586	1.2
72.08155	5.7
79.05475	0.8
84.08131	6.7
85.02914	0.9
86.09682	3.0
87.07990	0.6
88.21519	0.6
93.07065	1.0
103.03925	0.9
107.04953	1.0
107.08570	1.0
109.02900	0.7
114.09193	5.2
119.04913	0.7
121.02859	2.4
121.06551	0.8
126.12795	0.7
143.11807	8.6
160.07536	0.7
163.03839	0.8
165.01762	0.9
167.07016	3.1
170.09662	1.0
171.10269	0.7
181.04945	5.7
186.09113	3.7
188.07080	1.4
217.04936	0.9
221.08051	1.0
243.02963	0.9
249.07507	0.9
259.17670	0.8
261.03897	0.8
261.11407	1.1
267.06396	4.8
270.05286	1.0
271.06064	5.4
281.08115	4.8
283.06012	100.0
284.06708	5.9
289.88571	0.6
295.06155	12.3
295.09433	2.0
297.04318	1.0
297.07593	4.8
305.08243	1.4
307.05930	1.4
309.04105	1.9
309.07526	22.1
311.05457	1.1
313.07062	94.0
321.07690	1.1
323.05759	1.2
323.09088	24.5
325.07098	3.3
333.07486	3.8
337.07050	30.0
342.74954	0.7
343.08139	2.3
349.07092	14.3
351.08643	3.5
361.06992	8.8
367.08099	20.5
379.08133	13.3
397.09143	15.8
403.13736	1.4
410.14825	0.7
415.10226	25.0
415.23932	1.4
433.11292	59.9
433.24719	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.296
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01617	2.2
64.37702	2.7
66.00620	2.5
67.05505	3.2
79.05508	3.5
80.64811	2.5
81.07047	5.3
86.06078	30.7
87.04470	18.2
93.07014	3.8
98.06059	63.1
100.07635	3.1
109.10119	3.9
121.10135	10.1
126.05538	28.4
128.07094	4.8
131.08569	3.1
145.74191	2.9
146.08138	11.2
146.35123	2.7
149.09628	20.1
166.12280	4.3
184.13303	17.0
198.14915	16.7
206.15381	4.2
216.15930	5.7
217.74846	2.7
224.16484	11.0
243.79903	2.7
252.15915	40.7
253.57401	2.8
254.25787	2.7
288.18008	50.6
293.20969	3.6
309.18796	3.7
414.28171	20.1
432.19977	4.8
432.25061	3.5
432.29611	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70375	0.8
52.20625	0.7
57.07090	8.1
57.07334	1.0
57.85920	0.8
67.11708	0.8
71.05006	10.8
83.04990	21.3
101.06036	11.3
101.22686	0.8
119.08577	5.5
122.19120	1.0
175.01558	89.9
181.02707	1.4
204.44644	0.9
227.04662	4.8
231.07793	16.3
236.15163	1.1
236.22568	1.1
244.73894	1.0
275.06757	22.6
331.13052	76.5
333.72815	1.1
380.47086	1.1
387.19308	100.0
421.64511	1.1
432.25156	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	432.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37047	0.3
58.06601	1.3
59.81459	0.3
63.20893	0.3
63.32788	0.2
72.51510	0.3
73.25614	0.3
86.03362	0.3
88.32973	0.3
105.34704	0.3
139.34624	0.3
144.08096	27.8
145.08867	1.3
158.09698	0.6
170.09654	100.0
171.10439	24.6
187.12250	0.6
201.13864	5.1
202.14665	19.7
261.65155	0.4
277.08206	0.5
390.27573	0.3
432.23184	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38758	0.7
54.45160	0.6
55.05513	4.2
60.04515	1.0
66.65053	0.9
67.94154	0.9
70.06598	6.4
72.08160	88.0
84.04480	1.0
84.08147	2.1
85.02894	0.9
85.04041	0.9
86.09710	97.9
87.05580	6.6
87.10040	1.6
88.03978	4.3
95.81795	0.8
97.02882	0.9
98.02416	3.7
103.86800	0.8
106.05040	1.2
113.10749	1.4
114.09155	0.9
115.05053	2.1
127.08707	0.9
129.10248	3.4
131.04941	1.0
138.09152	9.5
141.10229	22.1
143.11792	1.7
155.11790	33.3
163.03951	1.4
166.08643	2.0
173.12852	4.5
182.12910	1.6
183.11301	37.4
185.16492	3.6
195.14928	4.1
200.13943	100.0
201.12477	1.2
205.11844	14.5
211.10789	1.8
222.16064	6.2
228.13428	49.1
232.13043	1.0
246.34592	1.1
262.14682	1.1
265.15479	1.6
268.16498	10.3
299.20804	8.7
300.19266	0.9
309.19409	1.1
310.17520	4.0
327.16339	2.0
327.20264	63.2
414.23462	3.9
432.15384	1.9
432.25424	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	432.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01553	0.4
52.08415	0.4
57.45507	0.5
58.06585	0.6
70.06586	1.1
71.76833	0.5
81.07004	0.4
84.08139	0.8
86.09688	0.8
114.09130	0.9
138.64035	0.4
143.11807	0.5
145.53287	0.5
148.95776	0.4
151.25839	0.5
160.07570	37.1
161.08394	0.5
170.09624	1.1
175.16383	0.5
186.09149	100.0
187.09932	32.0
187.11230	0.7
191.61020	0.5
202.11034	0.7
203.11861	0.9
217.13344	5.0
218.14143	19.3
281.06647	0.5
297.22894	0.7
360.92844	0.6
414.21121	0.6
432.21338	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03547	0.5
58.06603	0.6
59.92206	0.4
69.22123	0.4
85.25999	0.5
90.22412	0.4
91.71792	0.4
108.61167	0.5
137.72197	0.5
139.17407	0.5
144.08096	25.1
158.09660	1.1
165.27808	0.5
170.09654	100.0
171.10439	22.1
194.47952	0.4
201.13890	5.0
202.14658	16.8
251.61919	0.5
254.35339	0.6
432.23175	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06409	0.4
59.99114	1.1
62.14877	0.5
63.29438	0.6
70.06581	0.6
72.04522	26.5
72.04932	0.9
83.57218	0.6
88.02210	3.5
89.04221	0.6
89.61160	0.5
92.17863	0.6
100.07621	100.0
116.05317	7.0
130.12314	0.7
158.09651	38.6
170.09650	17.6
182.28905	0.6
190.06889	2.7
200.53595	0.5
201.13913	4.1
202.06859	2.9
204.08455	2.3
229.04898	0.6
230.10042	0.7
233.11089	5.7
275.12128	6.2
333.18689	14.8
384.09351	0.7
432.23166	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37049	0.4
55.52845	0.5
57.40585	0.5
70.06576	2.7
71.42115	0.6
72.08144	1.3
76.44974	0.5
86.09715	1.1
90.68521	0.5
91.05461	0.6
105.06980	0.5
115.05429	2.3
117.73619	0.5
122.36473	0.5
123.04425	0.6
127.90106	0.5
128.22868	0.6
131.04900	0.7
137.05981	6.9
142.46864	0.5
143.04900	3.1
144.05688	0.8
145.06454	0.8
148.58286	0.6
154.06259	0.6
157.49638	0.7
163.03911	2.3
167.07077	4.8
175.07545	1.2
179.07062	0.7
181.06548	0.7
181.08604	0.7
193.06522	0.7
198.06799	0.6
209.05977	1.2
211.07500	0.7
213.09189	0.8
221.05933	2.3
226.06192	0.8
237.09138	1.1
239.07022	0.6
241.08626	2.7
249.05447	1.1
251.06879	0.6
252.07578	0.7
253.08577	6.0
254.05670	0.7
267.10229	0.9
269.08035	10.9
270.08902	0.6
271.09698	0.6
273.11136	1.2
281.08063	9.2
283.09561	1.3
285.07578	3.8
286.08374	2.3
295.09586	0.9
299.09137	9.2
300.09970	0.7
301.10699	28.2
314.11404	0.9
341.10007	0.7
373.12820	100.0
432.20111	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	432.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67271	0.1
54.57137	0.1
55.01878	0.1
60.05647	0.2
61.02924	0.6
67.05492	0.1
69.03424	0.7
70.06587	2.2
71.04990	0.1
72.08154	1.9
74.06084	0.1
81.03410	0.3
84.04509	0.2
84.08156	0.2
85.02415	0.2
85.02908	4.3
86.09697	0.8
91.05480	0.9
97.02892	1.0
99.04457	0.2
109.02876	0.6
119.04942	4.1
123.04430	0.2
127.03895	0.7
130.08652	0.1
138.09151	0.3
145.04921	0.3
147.04413	100.0
149.09546	0.2
163.03912	0.3
166.08636	0.3
173.12956	0.2
180.06580	0.7
184.09682	1.8
253.07066	2.2
270.04276	1.6
309.09756	0.2
326.06680	0.2
329.03836	0.1
349.48944	0.2
432.14539	1.6
432.22034	2.0
454.66708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.2
55.01884	10.6
55.09161	1.1
55.27003	1.2
57.03429	3.0
61.02935	2.5
66.63918	1.3
69.03429	24.7
70.06578	3.3
71.04975	2.6
72.08156	2.5
72.86205	1.6
73.02922	7.7
81.03416	24.2
85.02908	100.0
85.03428	3.3
87.00832	35.7
91.03955	1.4
97.02894	51.5
99.04448	19.4
103.03954	2.0
105.01877	54.4
107.04969	3.1
109.02878	39.8
121.06524	12.6
127.03911	78.1
129.01869	3.5
131.04930	2.3
145.04950	29.5
145.06047	1.8
145.06506	1.4
147.02832	2.6
147.08014	1.4
149.05966	18.8
159.02907	21.5
161.05957	2.4
164.07109	1.5
167.07039	14.3
173.05978	6.3
175.22580	1.4
189.03928	8.1
191.07043	18.7
215.07024	7.7
231.04973	23.3
233.08070	15.4
249.06149	10.0
257.08057	19.0
275.09277	8.5
293.11218	1.6
312.08661	3.2
329.08957	1.9
341.57458	1.6
343.08139	5.6
344.11276	5.9
361.09174	6.8
379.10211	8.4
397.11224	1.8
432.15762	2.6
432.21109	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	431.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47131	1.1
56.62482	1.2
63.16846	1.5
67.05494	3.2
75.54054	1.7
76.45503	1.4
79.05486	2.7
81.07054	5.3
88.43020	1.2
93.07030	2.1
97.34190	1.4
105.07059	1.7
107.08576	6.6
109.10140	1.6
121.10101	2.5
133.10117	1.3
135.11749	4.9
145.10176	5.1
147.11661	9.0
149.13319	1.8
159.11693	6.7
161.13255	56.7
173.13231	5.0
199.14876	1.7
255.21068	31.9
267.00500	1.4
269.17267	1.7
273.22122	100.0
317.20367	1.5
323.19016	1.6
431.35037	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	431.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	0.7
84.17266	0.4
126.91930	0.4
147.42358	0.4
150.08304	0.4
160.07576	36.3
161.08427	0.9
170.09653	0.8
174.09201	1.0
186.09148	100.0
187.09921	32.1
202.11041	0.6
203.11635	0.5
217.13374	4.3
218.14157	22.0
218.16254	0.8
278.06564	0.4
317.18750	0.5
414.19928	0.7
431.22913	82.2
450.94962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
63.44140	0.9
63.60698	0.7
69.07099	1.7
73.18053	0.9
79.05508	1.3
81.07080	3.2
92.17608	0.7
93.07066	1.0
95.08602	3.5
97.06540	3.4
105.07045	10.0
106.07368	1.4
107.04971	1.9
107.08595	4.4
109.10155	1.5
119.08584	3.1
121.10109	1.8
133.10152	4.8
135.11708	1.6
145.02858	1.1
145.10141	5.0
147.11711	8.0
149.13232	1.0
159.11708	5.1
161.13261	45.1
163.11189	1.5
167.07022	14.4
173.13210	4.0
177.05385	0.8
177.12740	1.0
181.04977	4.2
185.13232	1.0
187.14760	1.2
199.14851	1.3
201.09178	1.0
213.16379	1.0
255.21100	32.2
273.22116	100.0
301.49237	0.8
413.15457	1.0
413.30673	1.6
431.17035	7.7
431.24896	1.8
431.31384	24.9
441.11539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58813	0.4
55.05509	0.7
69.03442	0.7
69.03846	0.4
70.06593	0.7
72.04526	0.7
72.08154	8.0
76.29823	0.4
79.00838	0.5
79.52508	0.6
85.02916	6.9
89.10809	3.8
97.02890	2.0
98.06051	5.1
99.04505	0.5
114.09174	9.3
115.08703	5.6
127.03906	1.8
135.04413	1.8
138.05501	1.7
143.14545	0.5
145.02795	3.4
145.04944	2.0
163.03902	100.0
166.13644	0.5
192.10202	5.1
234.11311	4.8
251.13890	31.9
269.14987	0.7
413.19196	42.9
431.20264	18.0
459.15274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1342
Annotation	Ononin
Peak:m/z	Relative Intensity
55.88019	0.1
62.19250	0.1
70.06601	0.1
71.07940	0.1
72.08138	0.2
100.08136	0.1
121.06315	0.1
151.03908	0.8
238.74043	0.2
269.08066	100.0
402.28467	0.2
431.13333	5.6
431.18948	0.2
448.99435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61862	0.3
55.05517	0.3
58.82834	0.4
62.83658	0.3
70.06599	3.1
72.08158	8.9
73.27827	0.4
84.08181	1.0
84.58264	0.4
85.88351	0.4
86.06023	0.5
86.09718	0.4
89.03944	0.6
89.10789	0.9
91.13107	0.5
97.02884	0.6
98.06063	1.8
107.04934	1.5
111.04457	1.8
111.16165	0.4
115.08714	0.8
117.03362	0.9
123.04430	0.8
135.04413	18.7
136.05179	0.9
136.06110	1.2
137.05969	1.7
139.03899	28.4
145.02840	12.2
161.02357	0.9
163.03891	100.0
164.04630	0.4
167.07117	0.5
175.03888	0.7
177.05461	16.2
181.04953	15.9
183.90001	0.4
187.03954	0.6
193.96375	0.5
199.85690	0.4
233.10443	1.8
234.11269	0.8
251.07117	0.5
297.07507	3.1
325.07028	0.5
339.11334	0.4
343.08072	13.3
343.11780	1.9
365.29285	0.4
414.15195	4.3
431.17981	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	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55538	0.7
57.10494	0.7
63.03595	0.7
65.03940	0.8
67.05500	1.4
70.44541	0.8
83.05002	0.8
93.03418	6.2
95.04970	10.3
101.00886	9.5
106.60390	0.8
111.04459	1.0
119.01927	46.3
121.02874	60.1
137.02946	6.8
139.03908	5.7
153.03932	8.5
161.00764	1.5
169.03448	6.0
171.04999	10.8
179.01941	7.1
187.04523	1.2
193.03485	0.9
194.94366	0.9
195.05087	10.8
197.02969	59.1
200.44672	0.9
203.01941	10.9
209.04512	1.0
211.04489	9.0
213.06078	4.4
215.04008	31.3
221.02948	34.8
229.05542	1.8
230.10075	0.9
233.05063	4.7
239.04002	12.8
245.06560	4.3
249.06287	1.1
257.05045	42.1
261.06097	3.2
263.07709	3.3
271.04593	5.3
273.06042	7.9
275.06125	78.2
279.07053	3.4
281.02957	1.9
289.05508	7.8
291.07193	5.1
299.03983	18.4
307.06622	4.9
309.08127	1.2
317.05179	12.2
325.07767	1.1
335.06250	6.7
353.07217	5.5
371.08215	13.7
389.09296	100.0
412.10992	1.5
431.10248	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	430.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95687	16.3
67.05491	43.8
69.07055	30.6
79.05484	36.0
81.07060	35.5
90.95261	21.3
91.05470	85.9
93.07051	71.0
95.08624	25.2
105.07024	22.4
119.08597	89.4
121.10153	25.8
133.10152	27.2
140.84789	18.1
143.08640	28.6
145.10121	76.2
150.30244	19.3
157.10075	23.5
159.11714	30.7
171.11662	78.5
179.15245	17.1
189.12888	21.4
203.14264	38.3
285.22083	33.5
295.19086	100.0
303.23138	25.1
365.54315	22.0
377.26718	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35561	0.3
56.47317	0.2
58.06594	1.3
87.80265	0.2
94.12579	0.3
101.90305	0.3
103.83987	0.3
149.53856	0.3
160.07573	38.4
161.08394	0.4
170.09650	1.7
174.09131	1.2
186.09140	100.0
187.09921	32.5
202.11021	0.7
203.11754	0.6
217.13351	4.8
218.14136	20.9
324.38049	0.3
356.85376	0.3
430.27005	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97791	0.3
54.08115	0.2
56.28117	0.3
58.06597	1.5
67.99092	0.3
70.06575	0.5
72.08144	0.3
86.09676	1.4
92.17914	0.4
95.53555	0.3
130.72618	0.3
148.10646	0.4
149.09639	2.3
151.91882	0.5
160.07573	38.2
161.08374	0.5
163.03877	0.5
170.09631	1.3
174.09196	0.7
178.12292	0.4
186.09145	100.0
187.09929	33.2
202.11026	0.6
203.11716	0.4
217.13417	3.8
218.14134	25.9
233.15355	2.2
235.10677	0.3
430.27023	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19153	0.4
58.06596	0.9
74.60295	0.4
82.59249	0.4
89.20339	0.5
111.69845	0.4
140.49490	0.4
160.07578	35.1
161.08289	1.0
170.09637	2.3
174.09184	1.1
186.09152	100.0
187.09930	29.4
202.11037	1.0
217.13341	4.5
217.22137	0.5
218.14149	21.0
430.27045	66.3
448.13412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17619	0.3
53.30359	0.3
54.50223	0.3
58.06603	0.8
58.20547	0.3
70.06570	0.4
74.92057	0.3
144.08098	26.3
145.08893	0.5
158.09628	0.8
158.15916	0.4
170.09653	100.0
171.10429	23.8
187.12367	0.6
201.13869	4.9
202.14664	20.2
210.12704	0.6
257.13779	0.5
361.31592	0.5
374.95444	0.4
413.17944	3.1
430.23438	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	0.6
97.28507	0.3
147.07979	0.6
160.07574	37.4
161.08359	1.1
170.09668	1.3
174.09097	1.1
175.09921	0.4
186.09145	100.0
187.09924	32.8
202.10945	0.5
203.11841	0.6
216.49445	0.3
217.13361	5.3
218.14146	22.7
430.27017	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46496	0.4
52.66928	0.5
58.06607	1.8
59.59029	0.5
71.04527	0.4
75.77134	0.5
80.73273	0.5
86.43390	0.5
92.17785	0.7
93.23480	0.5
95.31111	0.5
129.99846	0.6
141.22595	0.5
160.07576	34.2
163.54912	0.5
170.09720	1.0
174.09174	1.1
186.09152	100.0
187.09933	32.9
187.11247	0.7
187.70688	0.5
202.11078	0.7
217.13350	4.4
218.14134	22.4
227.64168	0.6
329.68585	0.6
344.40521	0.6
377.18298	0.5
430.27036	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.6
58.38762	0.3
60.79718	0.3
65.98711	0.4
69.15405	0.4
79.44858	0.4
85.02870	0.4
103.22063	0.4
109.34383	0.4
137.76195	0.4
144.08086	26.6
145.08904	0.6
154.32457	0.4
158.09639	1.7
170.09636	100.0
171.10422	25.7
171.11659	0.4
201.13879	3.6
202.14656	17.6
430.23364	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
58.06592	1.1
69.03404	0.3
69.06680	0.2
70.06596	0.3
72.08167	0.4
73.02913	0.2
81.03427	0.5
85.02905	2.4
86.09701	1.1
87.00801	0.7
97.02892	1.9
99.04472	0.5
103.05489	0.3
105.01864	1.2
109.02898	1.7
123.04462	1.4
127.03930	2.0
143.07281	0.2
144.08090	27.5
145.04961	1.0
145.08865	1.2
147.04414	8.3
148.75615	0.2
158.09651	1.7
159.02864	0.5
165.05461	2.6
170.09645	100.0
171.10417	25.6
186.11469	0.3
187.12288	0.4
197.12865	0.3
201.13866	4.6
202.14644	17.5
231.04961	0.4
235.10783	0.4
261.12225	2.0
375.19751	0.2
430.23380	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
52.84921	0.2
53.03948	2.0
55.01889	3.3
55.91893	0.2
56.87325	0.3
57.03425	1.4
60.26320	0.3
61.02928	1.3
69.03106	0.4
69.03442	8.4
71.04990	1.4
71.99665	0.3
72.08162	0.7
73.02925	3.6
81.03431	7.8
84.08141	0.6
85.02911	33.0
86.09703	1.6
87.00842	12.4
87.04467	0.6
91.03957	1.3
91.05482	1.3
95.04935	0.4
97.02900	20.4
97.06502	0.4
99.03889	0.3
99.04472	6.3
103.05478	7.3
105.01876	19.2
109.02882	15.8
117.01836	0.7
121.06467	2.1
123.03519	0.3
123.04434	22.4
127.03925	26.2
129.01825	2.2
141.01912	0.3
144.08092	0.5
145.04974	8.6
147.04419	100.0
159.02904	9.3
159.04369	1.5
165.05476	32.1
171.04370	0.5
173.02332	0.7
187.04007	0.3
189.03966	0.6
189.05505	2.9
190.08669	0.3
199.07585	0.3
213.03935	1.8
218.86845	0.3
227.07002	0.4
231.05000	7.5
237.05345	0.4
249.06082	2.4
255.06519	1.9
256.15244	0.3
273.07404	0.4
303.20734	0.3
341.06543	0.4
359.07764	1.6
377.08759	0.4
395.09747	0.6
430.13071	0.5
430.18692	0.5
430.25757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.6
70.06559	2.3
72.08150	3.3
84.08124	0.9
90.89259	0.4
93.80370	0.5
95.04995	0.6
95.83132	0.4
98.06051	0.6
114.10265	0.5
115.94109	0.4
129.10217	0.8
144.08090	25.2
145.08864	0.9
147.04439	0.7
150.07735	2.6
158.09668	0.9
163.02637	0.5
163.03847	3.9
170.09637	100.0
171.10414	25.6
177.05469	0.9
181.04927	1.0
186.11469	0.8
187.12367	0.7
201.13895	4.9
202.14656	20.9
208.80992	0.5
249.38960	0.5
329.59961	0.5
353.60242	0.5
429.28629	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	3.1
62.23122	2.3
76.34136	2.5
81.07085	3.1
95.08593	3.3
107.08614	4.0
109.10157	5.5
121.10123	14.8
131.08600	4.4
133.10139	12.6
133.83195	2.8
145.10136	5.0
147.11713	14.3
157.10143	28.9
159.11713	20.2
171.11697	3.7
173.13281	3.5
175.11176	10.5
253.19487	82.4
271.20572	100.0
360.52090	2.9
411.32568	11.1
429.33606	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	429.25
Annotation	Nummularine F
Peak:m/z	Relative Intensity
57.92619	0.3
58.06589	0.6
70.06578	0.6
72.91029	0.3
74.02331	0.3
92.18445	0.4
144.08093	29.1
145.08858	0.6
151.03906	0.4
158.09653	1.4
160.74469	0.4
170.09648	100.0
171.10434	30.1
175.08647	0.5
187.12308	0.4
201.13882	5.5
202.14658	23.4
238.55228	0.3
288.91345	0.4
366.70184	0.3
410.39285	0.4
429.13367	2.1
429.25006	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2488
Annotation	Rhodomollein XI
Peak:m/z	Relative Intensity
53.82108	2.0
55.01891	3.0
57.07079	9.7
57.64927	2.3
57.86765	2.1
69.07117	2.3
71.05006	5.3
71.33147	2.2
83.04981	14.4
84.08013	2.1
99.08115	3.4
121.10136	3.8
139.11177	4.3
149.09628	9.0
167.07059	2.8
167.10684	44.2
173.09641	2.7
175.76257	2.9
177.09114	4.5
181.04980	4.7
191.10696	13.3
201.09044	3.0
209.11829	17.6
219.10225	29.0
237.11220	11.9
238.74422	2.3
247.16904	13.1
265.18008	56.2
275.16415	9.9
293.17432	30.4
393.22693	14.2
411.23822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33739	1.3
54.39892	1.4
55.05525	2.2
58.06605	16.6
59.79998	1.7
63.14775	1.7
67.47770	1.8
69.03429	12.7
69.07061	11.5
69.21401	1.4
70.06589	1.8
71.04989	3.3
72.08157	3.1
76.07645	38.0
79.05505	12.5
79.73280	1.5
79.80127	1.5
81.07057	19.1
83.04982	3.0
84.04498	7.4
89.85596	1.5
89.93916	1.6
90.88245	1.8
91.05464	9.8
93.07027	7.1
95.04936	3.1
97.02953	2.1
97.06539	3.9
99.04481	14.3
105.07050	18.2
107.04942	7.0
107.08582	2.9
109.02878	10.2
109.06536	3.5
111.04453	1.9
113.07118	3.2
119.08582	51.1
121.06497	3.7
121.10165	7.8
125.05994	13.1
127.03937	13.1
130.04964	3.0
133.06497	2.3
133.10133	41.0
137.09648	3.2
141.10222	4.0
142.08653	20.4
143.07103	1.9
143.07504	2.2
143.08565	23.1
144.08116	8.9
145.10146	7.4
147.08040	67.6
161.09608	93.3
163.04021	1.9
163.11205	3.4
165.09123	9.8
170.08174	2.5
170.09622	26.1
171.08011	3.6
171.10422	8.1
174.06787	2.6
179.10675	19.5
184.07314	7.3
187.10759	39.9
188.09180	19.5
189.09085	44.8
202.14655	2.9
205.11835	100.0
207.10156	44.8
225.11224	9.6
267.12527	5.8
411.12753	1.9
411.21130	10.0
429.22012	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	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.9
55.01876	6.5
55.05521	12.9
57.03436	2.2
57.07060	2.2
61.02912	1.7
63.61303	1.7
67.05505	10.6
69.03433	22.5
69.07072	20.0
69.44965	1.7
69.61888	1.5
70.06567	2.0
71.04990	8.0
72.08155	4.0
73.02913	7.2
76.42937	1.6
78.73233	1.6
79.05497	12.5
81.03433	26.1
81.07069	34.8
83.04971	3.1
83.08627	19.2
84.04521	2.5
85.02915	56.6
85.06550	100.0
85.07074	3.2
85.57784	1.7
86.09707	4.0
87.00838	21.8
91.05473	8.7
92.18401	2.7
93.07045	25.8
95.04934	4.3
95.08609	45.2
97.02896	20.5
97.06512	3.7
99.04445	11.1
99.08084	1.8
103.03983	2.7
104.20070	1.7
105.01867	16.7
105.07044	21.9
107.08598	37.7
109.02872	22.6
109.06487	1.9
109.10160	18.7
111.04449	3.2
111.08105	4.1
111.11743	8.1
114.09146	7.9
117.07005	1.9
119.08572	16.8
121.06527	2.2
121.10162	20.5
123.04407	3.0
123.08056	3.1
123.11702	3.8
127.03918	34.7
129.01871	9.9
131.08566	8.9
133.06493	2.6
133.10139	9.9
135.08072	3.8
135.11656	12.2
137.05992	1.9
137.13293	2.7
143.08484	4.2
145.02864	2.1
145.04982	12.2
145.10138	11.9
147.02890	2.7
147.04378	1.6
147.11684	8.1
149.09581	2.6
149.13266	7.7
151.07573	2.3
155.08568	3.3
157.10075	7.5
159.02960	12.6
159.11688	8.9
161.13243	19.2
163.11230	2.3
163.14795	27.9
164.07230	1.9
165.16344	2.9
169.08667	2.1
169.10115	3.8
173.09608	1.9
173.13261	13.9
175.14792	6.9
177.05455	1.9
181.15871	36.1
184.10878	1.7
185.13237	4.3
186.09171	3.0
186.53630	1.8
187.14809	4.3
189.09001	1.6
191.14391	3.1
193.08528	1.8
193.15901	9.9
197.13225	1.8
199.14969	2.2
201.44498	1.9
203.14090	2.2
205.15852	3.4
211.14670	1.7
215.07072	2.5
218.03160	1.6
219.04900	1.7
221.08156	7.4
223.16982	2.2
229.15897	2.4
230.56036	2.0
231.05038	4.1
234.56024	1.7
234.99016	7.0
236.16417	7.5
247.16951	3.1
253.15944	2.8
255.21066	2.7
271.16937	13.9
273.22104	10.4
289.17999	6.9
302.49301	1.8
315.10757	3.8
357.16904	1.8
369.13562	7.1
375.18185	3.4
393.19226	14.7
408.19153	2.9
411.20236	8.9
429.21747	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	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.7
57.03463	1.8
57.07075	2.3
62.65662	1.5
67.05517	17.7
69.03436	13.3
69.07096	2.3
69.94903	1.6
70.06581	2.3
71.00904	1.7
71.04987	2.3
72.08161	19.0
81.03408	8.0
81.07066	3.8
83.05007	1.7
84.08165	1.7
85.02895	24.0
85.06551	17.4
86.09703	2.3
87.00813	1.7
89.10782	2.9
92.18487	2.9
93.07044	4.0
95.04974	3.1
95.08613	96.9
96.92587	1.8
97.02892	8.2
99.04428	6.3
105.01856	4.2
105.07043	3.9
105.27560	1.7
107.08572	14.0
109.02901	13.7
109.10145	1.8
113.06020	13.9
117.07006	1.8
119.08592	16.0
120.08155	3.1
121.08461	2.2
121.10134	10.6
123.04407	3.1
123.08067	42.0
123.11718	2.0
127.03918	16.4
129.36220	1.8
131.04950	2.2
132.00890	2.0
133.10133	2.4
135.04407	2.4
135.08032	1.8
135.11710	23.5
137.05977	2.0
137.53099	1.8
140.41309	1.7
145.02866	3.5
145.04973	7.0
147.11717	7.4
149.09627	32.6
151.07590	2.2
151.14822	2.8
161.13271	18.4
163.03917	37.8
163.11171	12.1
165.12794	7.9
167.07014	15.7
171.11737	2.9
179.14314	2.6
181.12158	2.0
187.06003	8.7
189.12779	17.6
205.07129	16.5
207.13806	100.0
225.14795	4.1
255.21046	2.3
256.78226	1.9
257.06436	2.0
260.63272	1.9
273.22192	11.5
406.17529	8.3
420.70132	2.7
429.20859	59.5
429.33817	1.8
429.71332	9.6
452.18280	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2027
Annotation	CHEMBL1738698
Peak:m/z	Relative Intensity
62.81965	1.2
64.18589	1.3
67.05500	5.4
70.06586	6.6
72.08160	12.0
72.08493	1.3
75.66776	1.3
81.03397	1.4
83.04961	2.0
84.08173	1.7
85.02941	1.4
87.38826	1.4
89.10784	2.5
90.83203	1.4
95.04970	9.8
98.06053	3.3
99.04449	1.7
111.04445	2.9
115.08691	2.3
117.05763	2.3
130.06505	12.0
131.07304	14.6
137.05937	2.0
140.78722	1.3
143.07274	2.3
144.08116	11.5
145.08861	10.0
157.08867	24.6
158.09683	8.0
159.10400	1.6
163.03889	3.3
167.07233	1.4
168.08072	8.3
169.08864	2.9
170.09654	16.0
174.11513	25.2
180.07841	2.4
181.08835	11.6
182.09618	16.3
183.06824	3.0
183.10425	19.5
184.11211	3.5
187.03931	2.4
195.10449	10.4
196.11232	43.1
197.08337	3.1
198.09122	36.0
210.12769	38.5
210.14572	2.6
211.13554	2.1
212.10759	12.1
212.14368	3.5
214.12306	2.2
216.10289	8.2
224.10704	17.3
226.12329	1.9
227.09570	1.7
232.12152	2.0
238.12198	11.9
242.11685	16.1
256.13324	46.3
256.15826	2.5
269.24606	1.5
359.92343	1.5
369.97617	1.8
372.14539	7.7
386.16104	6.7
398.16135	23.8
400.17957	1.4
412.17554	96.3
429.20264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2022
Annotation	CHEMBL1738698
Peak:m/z	Relative Intensity
55.01860	0.6
70.06599	0.5
70.24888	0.4
70.69261	0.4
72.08160	3.8
75.44090	0.5
85.02907	1.8
86.09681	0.6
98.06054	0.5
99.76116	0.5
105.07050	2.7
111.42677	0.4
114.10274	0.6
115.08659	0.9
117.03362	0.8
119.04928	1.9
119.22464	0.4
121.06475	2.4
130.04140	3.8
131.04926	0.8
133.02853	3.2
133.06487	7.1
135.04436	1.0
136.07552	0.6
137.05992	9.0
145.02829	2.3
146.03632	1.2
147.04422	8.8
149.05968	9.0
149.79402	0.4
150.06769	17.5
161.02350	0.5
161.05966	31.3
162.06750	100.0
163.03897	8.2
170.09622	0.7
177.05463	24.3
178.06267	5.7
179.07008	0.7
187.03925	1.9
199.03906	1.0
217.05003	0.8
235.07585	1.0
251.07272	0.5
267.10068	0.9
278.05453	0.5
291.06570	3.5
295.09921	0.5
295.13776	0.5
298.99231	0.5
308.04739	0.6
311.09274	1.9
323.09109	11.8
341.10190	37.8
397.15967	0.8
412.17642	2.8
429.20233	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2025
Annotation	CHEMBL1738698
Peak:m/z	Relative Intensity
53.50248	0.4
53.55595	0.4
53.57113	0.5
55.05531	0.9
56.40887	0.4
58.67794	0.4
63.21763	0.4
64.00477	0.4
66.05968	0.5
70.06590	2.3
72.08154	9.5
84.08136	0.9
86.09726	0.8
89.10808	0.8
92.17878	0.8
95.06076	1.1
96.06419	0.5
98.06075	2.4
110.07131	0.6
113.07139	0.8
115.08704	4.2
120.29501	0.5
123.04406	1.0
127.03884	0.5
132.89604	0.5
137.06009	5.3
150.65671	0.5
151.03911	64.8
157.02838	0.6
161.05963	4.0
175.03853	1.0
177.05458	3.7
179.03410	3.1
181.04993	2.3
189.05499	5.9
193.05014	4.5
217.04922	2.4
219.08052	1.9
221.05910	0.7
225.09143	0.6
235.07480	5.0
237.09180	2.6
247.07602	2.8
248.64168	0.5
249.05516	6.3
249.09108	0.8
250.06171	0.5
253.08612	1.7
263.07031	32.8
264.07785	0.8
265.05072	0.8
265.05640	0.8
265.08646	8.3
266.05875	0.7
267.06802	0.7
267.07312	0.8
267.10239	6.4
270.08759	3.7
271.09628	1.8
277.08661	8.9
279.10153	0.7
280.07312	26.0
281.08087	11.5
282.08875	1.0
285.11096	0.5
291.06522	24.6
294.19040	1.2
295.06467	0.8
295.09622	10.5
295.12579	0.6
297.08182	0.6
297.11172	4.8
299.09244	1.9
303.66849	0.5
305.08105	8.1
308.06821	15.6
313.10617	0.5
323.09155	44.3
341.10220	16.2
385.28949	0.6
394.25525	0.5
411.19272	3.8
412.17700	4.1
429.20267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52813	0.5
65.52596	0.6
72.08164	4.6
74.05838	0.7
80.10468	0.6
98.06046	0.7
105.07015	3.4
107.91151	0.5
115.08694	1.4
119.04945	1.3
121.06551	1.0
130.04163	4.5
131.04872	0.7
133.02850	4.0
133.06525	6.2
137.05971	9.3
145.02904	1.1
146.03624	0.7
147.04393	8.7
149.05971	8.5
150.06764	16.5
161.05983	31.7
162.06760	100.0
163.03914	5.4
171.15041	0.8
177.05482	20.9
177.06972	1.1
178.06261	6.1
180.07988	0.7
187.03868	0.7
199.03938	1.1
217.05023	0.8
231.17131	0.8
254.04228	0.7
277.08627	0.8
279.05179	1.2
280.05704	1.5
291.06622	3.3
293.08148	0.9
295.10007	0.7
297.06110	1.3
307.04794	5.8
308.05054	11.7
310.03433	1.0
311.03928	2.6
311.09332	1.2
323.09152	14.1
325.05783	0.6
326.06192	1.5
340.08215	5.3
341.10452	32.2
412.17453	4.2
429.20203	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.7
67.05502	0.9
69.03436	1.0
70.06595	3.2
70.85822	0.6
72.08160	0.9
81.03422	1.2
83.04993	0.9
84.08159	0.8
85.02898	2.5
85.08923	3.3
86.79605	0.6
87.60251	0.7
95.04955	3.6
97.16732	0.6
100.11261	100.0
105.01945	0.7
109.02893	0.8
111.04404	0.7
127.03936	3.3
128.80957	0.6
130.06537	3.1
131.07312	4.6
137.05930	0.7
137.35201	0.6
139.03932	1.0
143.07315	0.9
144.08066	1.2
145.08870	3.0
145.10132	0.6
157.08844	8.4
159.10475	0.7
163.11205	5.9
168.08035	1.2
170.09630	4.2
174.11554	8.1
180.08102	0.8
181.08916	2.7
182.09610	5.6
183.06822	2.4
183.10451	6.2
195.10463	2.8
196.11226	13.5
198.09137	8.5
210.12759	11.6
212.10744	3.7
216.10181	1.1
220.71931	0.6
222.20969	0.6
223.13411	0.9
224.10706	6.0
238.12338	2.9
242.11752	4.4
256.13330	14.7
256.15808	1.0
282.98407	0.8
297.80603	0.8
372.14313	0.9
386.15961	2.9
398.15894	6.4
400.17395	0.8
412.17572	30.2
429.20239	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21719	1.4
52.56984	1.3
55.05528	9.1
58.41745	1.9
67.05519	6.6
70.06609	15.0
72.08157	74.7
74.55781	1.5
79.05522	1.5
84.04497	2.2
84.08176	7.2
85.02942	1.6
86.09736	2.0
87.08003	2.0
89.10813	8.6
93.07070	3.0
95.06126	8.1
96.06443	1.9
98.06061	31.2
109.10200	2.3
110.09705	3.1
110.58497	1.4
113.07143	3.5
114.10283	2.8
115.08700	31.2
123.04471	6.4
124.11269	2.7
135.08080	2.5
137.06041	7.4
143.05074	2.1
147.04425	2.4
151.03903	69.3
152.10728	13.7
161.05994	13.1
163.03969	8.7
170.09694	3.0
170.11852	7.5
175.03912	2.5
177.05556	7.9
179.03517	2.2
186.11336	2.7
187.03922	22.9
189.05594	9.1
193.05121	6.3
195.03152	1.9
203.03479	2.3
204.06610	2.1
205.04965	2.2
207.02930	2.2
219.03023	6.7
223.07686	3.9
233.06104	3.1
235.07671	7.2
237.09279	2.5
242.04526	3.3
247.07547	2.4
249.05591	7.8
251.06987	15.7
261.04123	6.4
263.07037	40.9
265.08740	9.2
267.06860	2.6
267.10327	8.4
269.08224	8.4
270.09122	2.4
271.09869	2.0
277.05161	6.5
277.08820	12.9
279.06644	7.5
280.07272	29.2
281.08038	14.6
291.06628	23.2
294.19254	2.4
295.06226	33.4
295.09769	11.0
297.07858	3.7
297.11301	3.0
305.08340	7.6
308.06824	16.8
323.09140	46.0
341.10193	14.5
385.29190	3.8
394.13293	8.5
411.15341	30.5
412.18228	3.1
429.20847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
53.38465	0.7
54.17056	0.5
55.01874	4.5
55.05503	0.9
57.03448	2.6
61.02928	2.8
69.03437	18.5
70.06601	1.7
71.04990	3.5
71.48385	0.6
72.08152	1.1
73.02933	5.3
78.54396	0.7
79.05493	0.9
81.03425	15.6
81.07066	5.1
83.04987	1.7
85.02912	40.9
87.00826	12.6
91.05482	2.8
93.07043	6.7
95.04961	12.8
95.08603	1.2
97.02889	13.4
99.04453	11.6
103.03929	1.5
105.01875	14.5
105.07053	5.3
107.04919	0.9
107.08620	8.7
109.02889	20.2
109.06514	1.7
111.04468	1.1
114.10274	0.8
115.03934	0.9
117.07013	1.3
119.08573	5.1
121.06509	3.6
121.10145	13.0
123.08089	1.0
125.05969	1.3
127.03918	37.2
129.01823	4.3
133.06528	0.8
133.10123	2.5
135.08052	1.3
135.11679	7.1
140.01897	0.7
143.08546	1.4
145.04968	14.2
145.10121	14.2
147.02875	1.2
147.08055	4.2
149.05965	0.9
159.02904	14.6
159.11716	0.8
161.09651	4.0
163.03835	0.9
163.11180	100.0
165.09129	1.5
167.07063	4.3
175.11293	1.2
181.12262	6.9
183.10054	0.9
189.03961	1.4
189.09157	1.2
193.08580	1.2
205.12163	5.8
213.03903	1.6
223.13316	13.1
223.15483	1.1
231.05045	9.8
233.08049	1.2
245.45946	0.7
250.27089	0.7
375.14374	0.9
393.15527	5.3
411.16498	3.9
411.21310	0.9
428.69577	1.0
429.11688	1.9
429.17694	9.4
429.22784	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15282	1.0
52.64614	1.0
55.05504	6.8
55.52340	1.1
64.17416	1.0
65.22626	1.2
67.05457	1.2
69.03419	1.4
70.06599	15.1
72.08163	100.0
74.61642	1.0
84.04494	2.6
84.08114	7.0
85.02879	4.9
86.09673	6.1
89.10809	16.4
98.06062	46.2
106.30002	1.1
109.02871	1.4
110.07130	6.1
111.04414	2.0
112.11245	1.2
114.10264	2.1
115.05470	1.9
115.07965	1.9
115.08704	44.8
120.08051	1.6
123.04407	3.0
129.10252	1.8
135.04396	2.0
138.05458	1.9
139.14549	1.4
143.04880	5.7
145.02908	1.9
147.04439	1.7
151.03880	1.9
152.10649	1.4
157.10851	1.6
159.04359	2.4
160.05136	1.7
161.05968	18.2
163.03894	16.2
175.03970	1.7
177.05414	6.9
187.03912	34.7
203.03430	2.7
204.06479	1.8
205.04919	5.2
205.06567	1.9
207.02850	2.1
207.06358	1.5
219.02908	1.5
222.11273	1.4
223.07558	8.5
232.05983	2.8
233.06024	10.1
242.04385	8.0
249.05435	5.8
251.07037	26.6
261.03955	1.9
269.08118	11.4
274.10602	1.9
277.05014	9.7
279.06564	10.3
280.07089	1.7
281.08115	1.3
291.13458	1.6
295.06030	57.6
297.07391	7.5
313.06906	1.8
316.76025	1.2
323.05319	2.9
366.13126	1.5
385.17578	5.3
393.09964	1.4
394.12909	13.9
411.10321	2.6
411.15475	44.2
412.13846	7.4
414.53638	1.5
423.19785	2.0
429.16418	69.7
429.21616	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	429.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52794	0.5
55.01866	1.1
55.05521	6.4
60.04518	0.6
67.05489	0.6
67.13796	0.6
69.03429	0.9
69.05370	0.6
70.06599	8.4
71.05961	0.7
72.08163	100.0
84.08145	1.5
85.02889	3.2
86.06038	0.7
89.10801	12.1
93.07044	1.1
95.04921	1.0
97.02846	0.9
98.06063	43.3
99.04437	0.8
107.08583	1.5
109.02898	0.9
109.10174	1.2
110.09683	3.4
111.04418	0.7
114.10360	1.1
115.05398	3.2
115.08697	38.2
115.09516	1.3
123.04389	2.8
127.03914	1.1
135.08035	4.1
143.04945	2.2
147.04422	1.0
150.05533	0.7
152.10716	17.9
158.23131	0.6
159.04448	5.4
160.05194	2.8
161.05980	15.8
163.03841	3.7
163.11137	2.6
165.12631	0.8
170.11804	6.6
175.03821	1.4
175.75801	0.7
177.05362	0.8
181.06503	1.2
181.08394	1.1
187.03908	35.4
192.10133	3.1
203.03456	1.3
204.06560	1.4
205.04916	3.7
205.06584	1.6
209.12924	0.9
212.03342	0.8
223.07526	10.3
230.04507	0.8
232.05980	1.6
233.05940	7.6
235.07574	0.7
242.04498	6.1
249.05418	6.7
251.07048	26.7
260.12836	1.0
267.06396	0.9
267.15897	0.8
268.07291	1.1
269.08084	11.7
274.10394	0.7
277.04953	11.1
279.06561	8.8
285.07660	0.8
291.13293	3.7
295.06027	54.3
296.14810	0.9
297.07715	5.1
313.06915	3.0
323.05530	0.8
341.06537	1.4
366.13290	1.5
368.14789	4.0
385.17661	6.6
394.12823	15.7
411.15482	40.5
412.13953	4.9
429.16605	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	3.0
58.06596	2.1
70.06603	36.9
72.08163	100.0
84.04466	1.7
84.08141	12.2
85.02914	3.0
86.09694	3.1
89.10792	10.6
95.06118	2.0
98.06060	32.1
100.07572	2.8
105.07029	2.1
107.04951	2.6
110.07217	2.4
112.11232	1.9
114.09153	1.5
114.10295	10.5
115.08703	33.3
117.03371	2.0
123.04427	6.7
129.10223	2.6
133.06493	2.2
135.04413	6.7
138.05490	2.0
143.04929	2.1
145.02840	2.8
147.04445	6.0
152.07014	2.1
152.10664	1.4
155.08151	1.9
159.04361	2.2
161.05959	17.4
163.03903	29.4
164.04265	2.1
167.07048	7.8
170.02733	3.2
175.03954	2.6
175.08661	1.4
177.05476	3.3
187.03888	24.8
193.08626	7.6
203.03496	1.7
203.10284	1.7
205.04869	2.4
207.02907	1.4
215.13943	7.9
220.09680	5.7
222.11292	1.5
223.07626	6.4
229.15533	1.8
231.02983	3.0
233.06003	2.5
242.04539	5.2
249.05559	3.0
251.06999	17.8
269.08133	8.1
277.04984	9.5
279.06570	6.9
284.09250	1.7
295.06088	46.9
297.07651	7.3
385.17520	8.0
394.12811	13.0
411.10178	2.4
411.15497	32.3
412.13904	3.1
417.53195	1.7
428.88220	1.7
429.16354	58.5
429.71600	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	429.1158
Annotation	Venkatasin
Peak:m/z	Relative Intensity
53.33040	1.0
55.05507	1.0
55.55743	0.9
56.40147	0.9
67.59804	1.1
69.07057	1.6
70.06597	7.4
72.08176	9.5
72.38408	0.8
76.51057	0.9
84.04464	1.1
84.05621	1.5
84.08141	2.5
85.02871	4.4
87.44176	1.1
88.07633	2.1
89.10768	1.2
97.96021	1.1
105.10242	1.8
107.21656	1.0
114.10284	1.6
115.08723	1.2
121.06502	1.3
135.04388	1.9
145.02789	1.4
163.03897	40.4
176.15376	1.1
177.05009	1.4
179.03334	1.3
219.01877	1.5
237.02798	1.4
256.77393	1.0
267.13571	1.3
278.32605	1.3
293.09464	1.8
339.10104	1.5
411.12265	4.8
411.17770	4.0
429.11597	100.0
429.19128	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	428.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69742	0.4
67.05491	0.6
70.06601	10.5
72.08157	1.0
74.16736	0.4
81.07037	0.8
93.07054	0.7
107.30920	0.5
121.10189	0.5
130.08624	1.9
137.00449	0.5
144.08098	28.3
149.13249	0.9
149.32391	0.5
158.09650	1.9
161.13277	0.9
162.13618	0.9
163.03922	0.6
164.07155	0.6
170.09651	100.0
171.10425	27.2
187.12271	0.5
201.13895	5.1
202.12781	0.6
202.14653	17.3
272.20895	1.9
428.22525	7.2
428.29037	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	428.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22887	0.4
55.19395	0.5
56.39518	0.4
58.06594	0.9
70.06584	2.1
81.07040	2.4
85.02911	0.7
90.53891	0.5
95.08574	0.6
99.24999	0.5
122.03905	0.5
130.08675	0.6
131.54900	0.6
137.35197	0.5
144.08102	27.6
145.08876	1.1
158.09633	1.1
163.03905	0.8
169.95517	0.5
170.09657	100.0
171.10434	29.2
201.13846	4.7
202.14659	21.5
220.86699	0.6
254.19841	0.8
271.20731	0.6
272.20981	0.8
428.29062	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46374	0.3
55.05501	0.5
56.43490	0.3
57.03419	1.5
58.06610	12.8
59.07147	0.3
59.07386	5.1
60.08171	4.9
60.66095	0.3
67.05494	1.2
69.07041	0.4
72.08131	0.4
75.04473	1.4
79.05475	0.5
81.03428	0.5
81.07036	1.6
83.04983	0.7
84.08104	0.4
85.02892	1.7
87.04480	2.5
91.05502	2.5
92.61538	0.3
93.07014	0.7
95.05018	0.4
95.08582	0.4
97.06523	0.6
98.06043	0.3
102.05511	0.4
105.05407	0.4
105.07005	1.6
109.10129	0.3
113.05952	0.4
119.08562	1.3
121.10203	0.4
131.07025	2.1
133.10063	0.8
137.09636	0.4
144.10214	10.3
145.15938	0.3
147.04405	2.1
147.11694	0.5
148.04678	0.3
162.11269	5.3
164.07033	1.2
175.11142	0.4
177.05473	0.3
218.13889	0.6
221.07999	1.1
231.05055	0.3
236.14929	100.0
258.17047	0.4
410.25354	8.7
413.20926	0.5
428.22095	3.5
428.26483	74.2
438.20352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80150	0.4
67.27020	0.4
69.03439	0.5
70.06597	0.5
74.38422	0.4
85.02902	0.7
86.09714	100.0
92.17853	0.4
95.06120	0.5
99.04460	0.7
103.03962	1.9
127.03918	1.9
132.10216	88.7
155.73512	0.4
159.06538	0.9
163.03925	1.5
238.87323	0.4
279.10663	2.4
302.11530	0.4
428.12421	1.8
428.21451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01875	1.3
55.05517	6.9
57.03432	0.7
57.07084	6.7
61.02931	0.7
69.03441	6.6
70.06579	1.0
71.88456	0.6
72.08157	3.8
73.02908	2.9
76.24355	0.6
81.03436	7.7
83.08622	2.6
85.02415	1.2
85.02911	29.1
87.00834	7.9
89.05508	1.0
89.06039	27.0
92.42429	0.6
97.02886	9.4
99.04465	7.4
101.09664	13.0
105.01865	10.7
107.07074	23.7
109.02882	11.0
114.10290	2.6
114.77444	0.6
120.08089	0.6
123.04523	0.8
127.03926	17.3
129.01884	1.1
144.08151	1.0
145.04976	6.9
147.02908	0.7
159.02890	6.5
163.03882	3.1
163.13292	100.0
170.09644	3.5
202.14725	0.7
213.99432	0.6
231.05016	3.4
256.06091	3.1
298.07202	1.2
428.20047	8.6
428.25751	0.8
436.16943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.205
Annotation	YM-215343
Peak:m/z	Relative Intensity
51.99194	0.5
55.05505	1.2
57.03418	0.6
60.08176	7.5
69.03410	0.8
70.06565	3.2
71.07349	1.2
72.08158	8.4
73.06404	2.3
74.96176	0.5
81.03387	2.8
84.08125	0.9
85.51514	0.6
86.07209	1.8
86.09710	31.1
87.07937	2.5
95.06073	0.8
97.10138	3.0
99.04437	0.8
100.08713	3.0
104.10752	83.1
105.01756	0.6
113.07116	1.1
114.10313	5.3
115.08599	0.6
123.04375	2.6
124.99998	12.7
125.09628	5.8
133.09969	0.6
135.04408	0.6
137.73004	0.6
144.08029	0.8
157.10829	0.7
163.01678	0.6
163.03896	7.2
167.06943	0.9
168.04626	0.9
170.09604	2.9
171.10306	1.2
172.13174	0.7
175.08595	0.9
179.05705	0.8
184.07350	100.0
189.11128	2.7
191.08160	9.4
193.05023	0.8
197.54439	0.6
229.82228	0.6
245.13684	3.1
249.14561	0.9
256.07010	2.5
275.12628	2.9
289.11655	0.8
292.15140	3.1
307.12958	1.0
309.17929	13.1
369.15317	1.2
384.28323	1.1
393.12985	7.6
410.18893	4.6
411.13922	3.3
428.20245	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
69.03444	0.3
70.06596	1.8
72.08170	1.8
84.04568	0.2
84.05642	0.6
85.02953	0.9
87.04528	0.3
113.28654	0.2
114.10337	0.5
145.02910	0.4
163.03909	8.6
164.04251	0.5
199.02632	0.2
207.06532	100.0
220.20764	0.3
223.32455	0.3
230.88110	0.3
236.12663	0.3
237.13008	0.5
254.11325	1.5
279.15192	0.4
295.17575	0.3
296.17850	0.5
306.10916	0.2
369.07187	0.4
369.11826	11.4
428.13120	2.1
428.18890	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	428.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89973	0.2
57.67649	0.2
59.35917	0.2
62.19866	0.2
69.03436	0.4
70.06594	3.5
70.13270	0.2
72.08163	2.5
74.45069	0.2
80.83231	0.2
81.03400	0.3
84.04494	0.3
84.05618	0.4
84.08129	1.2
85.02884	1.0
86.09679	0.4
97.02884	0.3
123.04420	0.3
125.82628	0.2
127.03905	0.3
130.04965	0.3
135.04396	0.3
136.06152	0.4
138.67726	0.2
145.02809	0.5
145.04936	0.3
163.03900	10.2
164.04245	2.1
177.05470	0.3
194.08090	0.4
207.06531	100.0
212.89386	0.2
228.55960	0.2
244.12930	0.3
249.11575	0.3
254.11368	1.3
296.17618	0.2
330.15134	0.2
369.11807	13.7
410.12500	0.3
428.12851	3.2
428.19077	30.7
444.50287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35776	0.1
57.03434	0.2
69.03407	0.2
70.06566	0.6
72.08157	0.9
78.26533	0.1
81.03433	0.2
85.02892	0.6
86.09663	0.2
89.03909	0.1
95.06089	0.1
98.06043	0.2
111.44498	0.1
118.53238	0.1
121.66261	0.1
125.01746	0.1
135.04390	0.2
145.02820	0.3
163.03888	8.5
190.07092	0.1
190.18680	0.1
207.06529	100.0
260.10675	0.1
266.14111	0.5
369.11874	4.1
410.12903	0.2
428.19162	38.4
445.35513	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	428.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43465	0.2
50.85349	0.1
60.08081	0.1
67.72487	0.1
69.36628	0.1
89.03895	0.2
91.43676	0.1
96.61164	0.2
145.02794	0.3
163.03899	8.7
207.06531	100.0
266.13495	0.2
369.11835	3.7
418.73682	0.2
422.75040	0.2
428.19159	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67986	0.3
69.03383	0.6
84.40070	0.5
93.02501	0.5
100.07568	0.5
105.01848	0.7
127.03910	1.0
129.22075	0.5
211.09291	0.4
223.06288	0.8
236.14905	4.0
238.04953	0.9
240.06766	0.5
251.05795	3.4
252.06645	0.5
254.04424	3.6
265.03775	0.7
266.04434	0.8
268.06021	1.0
278.04416	1.7
279.05280	12.7
282.03909	1.9
284.09320	0.5
293.03076	0.5
294.03925	2.6
296.05505	8.8
297.06375	2.7
307.04767	58.2
310.03458	14.5
312.05203	0.5
312.08698	1.1
314.10269	0.6
325.05750	6.9
340.08176	100.0
411.15598	2.0
428.13458	1.2
428.18219	29.9
428.23965	1.3
428.26944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31731	0.5
66.33488	0.6
70.06573	2.4
72.04505	0.6
72.08167	6.3
84.08143	0.6
90.72077	0.6
98.96650	0.5
113.10719	1.1
114.09167	8.1
121.01042	0.7
131.11821	0.9
136.06189	1.0
148.99089	0.7
157.10776	0.8
163.03822	2.4
166.94162	0.6
176.99974	0.7
177.05469	1.0
179.01585	1.0
204.01085	0.9
204.99542	27.6
207.01019	2.6
207.06519	12.0
222.02243	1.4
223.00665	4.9
234.02174	16.2
241.12968	0.6
268.73444	0.6
276.06870	27.4
280.02734	100.0
293.09549	38.7
322.03290	0.7
335.10599	23.1
351.61160	0.7
401.98444	0.6
402.54813	0.6
410.08603	0.9
410.13834	26.1
428.14771	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75378	0.5
55.05510	3.3
70.06612	2.1
72.04523	59.5
72.08153	7.1
74.09724	25.0
78.82565	0.5
81.03424	0.6
81.07082	0.5
85.02916	1.0
90.98083	0.5
98.06057	7.3
100.07624	100.0
105.01859	0.7
105.03307	0.5
114.09140	1.2
127.03922	1.1
161.02390	2.1
196.97290	3.6
224.96786	2.0
231.11282	1.1
251.97681	0.8
281.50330	0.6
295.09525	0.8
295.78732	0.6
311.05045	0.6
337.03162	3.2
344.62881	0.6
349.11871	0.7
355.04303	0.7
428.13107	94.9
428.32870	3.5
450.67993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40663	0.5
55.05508	0.7
67.05510	0.9
69.07072	0.6
70.06581	1.2
71.05004	1.6
72.04509	2.6
72.08160	5.9
81.07063	4.8
84.04519	1.1
84.08138	1.2
93.07034	3.1
95.04993	1.1
95.08591	2.6
98.06059	0.8
100.07613	0.8
105.07043	2.8
107.08620	2.5
109.06531	1.0
109.10188	0.8
111.08115	1.0
113.10773	20.1
114.09177	44.7
114.10339	1.3
115.08705	8.0
119.08559	1.3
121.06499	0.8
121.10157	0.8
123.08033	0.7
128.50400	0.6
131.08559	0.8
131.11809	10.2
133.10126	5.5
135.08058	2.3
135.11674	3.1
137.09612	1.5
143.11806	0.7
144.08107	0.8
145.10147	0.8
147.11723	1.2
153.12735	1.2
156.11325	25.4
157.10034	0.8
159.11673	1.4
161.09634	1.0
162.09096	1.0
165.09145	2.5
173.13992	39.7
175.07536	1.3
187.11244	1.3
201.12721	1.6
219.10065	0.8
229.12167	0.8
247.13272	1.3
249.13591	0.8
265.14328	7.1
265.17096	0.6
265.18127	0.7
313.10907	0.7
325.11185	0.6
332.19763	1.0
363.23926	0.9
391.23282	4.2
409.24310	3.8
427.25876	7.4
427.32788	100.0
436.04614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3211
Annotation	Flabellinol
Peak:m/z	Relative Intensity
57.03443	0.6
62.09268	0.5
69.03416	1.3
69.03754	0.5
69.07073	4.7
70.82745	0.5
81.07049	3.8
83.04982	0.7
83.08630	2.1
87.31042	0.6
91.05409	0.5
91.47839	0.5
92.18475	1.0
93.07040	1.1
95.08606	3.2
97.02954	0.7
105.07039	0.8
107.08614	2.5
109.10174	1.1
111.04462	4.3
113.05995	1.1
119.08569	1.4
121.10155	2.4
125.06004	0.5
131.08583	4.8
133.10112	7.1
135.08063	0.8
139.07552	0.7
139.11171	4.1
143.08597	1.3
145.10156	4.9
147.11671	2.7
153.12747	4.2
157.10129	6.7
159.11707	1.4
161.09570	0.7
161.13278	1.0
163.11163	0.9
169.10060	0.6
171.11725	5.8
173.13165	1.4
177.12744	3.3
179.14291	1.0
181.12253	1.3
185.13277	1.4
187.14716	0.6
195.13809	2.5
197.13319	0.8
211.14827	4.4
213.16397	30.3
229.15819	5.5
231.17410	8.0
269.19073	0.8
279.21121	2.5
297.22134	2.7
315.23190	4.4
409.30902	3.2
427.32092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.321
Annotation	Flabellinol
Peak:m/z	Relative Intensity
51.18512	0.8
59.16371	0.9
65.71664	0.8
69.03415	1.2
69.07053	5.6
71.08611	1.1
72.59506	0.9
79.45688	0.9
81.07063	3.9
92.18459	1.1
95.08608	4.2
105.06973	1.4
107.08602	2.3
109.10149	1.4
110.75764	1.0
111.03627	1.1
111.04427	4.3
111.08164	1.1
121.10141	2.4
131.08536	5.2
133.10133	6.7
135.11752	1.6
139.11189	4.5
143.08531	1.9
145.10152	5.5
147.11707	2.2
147.52336	0.9
153.12701	2.1
154.40196	1.0
157.10132	9.1
159.11667	3.9
161.16808	1.2
163.11166	1.3
171.11690	6.5
177.12701	3.9
179.14256	1.8
181.12137	1.3
195.13789	2.4
211.14832	4.2
212.41273	1.3
213.16374	32.2
229.15981	5.8
231.17520	8.0
236.94650	0.9
251.17964	1.6
269.19016	1.3
279.21191	2.2
286.24579	1.2
304.73810	1.0
306.44879	0.9
315.23129	4.5
368.94846	1.2
409.31110	1.2
427.32068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75718	0.3
57.02790	0.3
59.70723	0.3
67.05492	0.3
70.06561	0.4
70.09077	0.3
73.40392	0.4
79.56703	0.4
80.12115	0.3
81.42362	0.4
88.51864	0.4
129.48868	0.4
134.45438	0.4
163.11221	0.4
235.27173	0.4
427.26706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.6
61.02926	0.6
69.03423	1.1
70.06594	5.1
72.07758	0.6
72.08160	18.0
73.02926	7.4
84.04515	0.7
84.08157	2.1
85.02908	2.6
86.09717	0.6
97.02894	0.6
97.07666	2.9
98.06068	1.9
110.09670	0.5
114.10295	21.9
115.03967	0.8
115.08692	13.1
123.04422	7.1
127.03984	0.8
130.25078	0.5
131.12927	0.8
156.11356	0.8
163.03903	11.6
165.05467	6.8
177.05452	8.4
179.03452	4.5
189.05473	1.1
201.05594	0.6
212.29436	0.6
220.09843	0.5
229.05055	0.7
235.14404	19.2
236.12817	38.3
251.07095	0.6
253.15599	2.6
272.27451	0.5
278.15009	22.4
283.79892	0.5
289.15619	0.5
294.17044	0.6
295.17661	31.6
320.15897	0.6
326.10626	0.7
368.17166	0.9
393.85516	0.5
427.21924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.1
55.12394	1.4
56.14864	1.2
70.06236	1.3
70.06584	10.6
72.07798	2.0
72.08160	29.2
82.06646	1.4
84.04500	1.4
84.08167	2.1
87.94014	1.1
125.94292	1.3
135.04436	1.6
145.02847	26.7
148.52269	1.5
150.09142	10.8
163.03903	11.4
167.11771	9.2
177.05463	100.0
185.09315	1.5
198.11250	2.1
312.15695	2.2
340.04236	1.7
343.16531	18.6
380.64673	1.5
391.18805	2.3
409.19806	15.6
427.15146	2.0
427.20935	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80005	0.4
57.03440	1.1
61.02932	1.1
63.94017	0.5
67.65240	0.4
69.03432	5.7
69.40661	0.4
70.06589	4.1
71.05012	0.5
72.02717	0.5
72.08166	8.4
72.56750	0.5
73.02912	2.7
75.26308	0.5
81.03427	3.8
84.04494	0.8
84.08154	1.2
85.02911	8.6
87.04462	1.7
97.02899	4.0
97.07624	0.7
98.06061	0.9
99.04444	2.3
100.08727	0.5
104.05440	0.5
105.30921	0.4
107.15662	0.4
108.01244	0.5
109.02905	0.5
110.07197	0.9
114.09055	0.5
114.10290	6.7
115.03939	0.5
115.08681	3.8
115.22813	0.4
123.04442	1.9
127.03940	2.6
131.13022	0.6
161.07074	0.6
163.03908	3.9
165.05537	1.8
172.09929	0.6
177.05473	1.8
179.03380	14.5
179.07045	1.0
188.13315	0.5
189.06609	3.5
189.13872	0.6
191.08160	0.9
201.13838	4.9
207.07669	8.0
219.14955	0.9
229.13356	4.4
235.14435	4.5
236.12816	9.5
247.14401	75.4
256.33734	0.5
265.15457	54.6
278.14944	6.3
291.45328	0.6
295.17636	17.8
297.80872	0.6
305.11200	0.7
323.12418	0.9
361.86780	0.5
391.11292	1.1
406.83304	0.5
409.12360	7.1
409.17203	0.9
427.21042	100.0
429.60193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74067	0.2
53.34641	0.2
69.03422	0.3
70.06581	1.8
72.08160	5.0
76.89474	0.2
77.48321	0.2
81.03410	0.3
84.08120	0.9
84.56987	0.2
85.02866	0.3
86.09714	0.3
89.03854	0.4
89.10764	0.4
98.06026	0.4
112.53839	0.3
117.03357	1.0
124.07639	0.3
135.04405	0.2
136.07571	0.3
137.07971	0.3
142.04742	0.4
144.03423	0.3
145.01723	0.5
145.02849	13.8
149.05997	1.2
150.05489	0.3
150.09134	4.1
153.07402	0.2
154.08646	0.3
162.38326	0.2
163.03923	1.8
164.07059	0.5
165.07431	0.3
167.11806	3.8
177.05469	100.0
180.10103	1.9
192.29359	0.2
193.09804	0.3
197.12901	1.4
198.11290	1.3
209.09042	0.3
216.12329	0.5
217.08994	0.3
227.10092	0.3
246.11290	1.5
248.12804	3.2
265.15509	1.0
267.63910	0.2
288.34171	0.3
291.75162	0.2
306.15521	0.5
308.48856	0.2
315.78555	0.3
328.14874	1.0
343.16519	14.1
343.20554	0.5
373.17603	2.9
391.18719	3.7
409.19797	7.2
409.24820	0.3
427.20880	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47258	0.2
60.26484	0.2
61.02868	0.2
69.03432	0.4
70.06581	1.3
72.08157	1.9
77.67676	0.2
78.47762	0.3
81.03421	0.4
84.08124	0.3
85.02900	1.0
89.03931	1.0
89.10781	0.3
98.06072	0.3
98.79668	0.2
114.09168	0.3
115.08678	1.0
116.05341	0.3
117.03372	1.3
121.06563	0.2
127.03924	0.3
135.04404	1.0
136.06178	1.4
145.02841	2.2
149.06000	2.5
162.04147	1.0
163.03911	10.0
177.05478	100.0
200.66508	0.2
207.07629	0.9
248.12817	1.1
265.15567	2.0
281.09906	0.4
409.12286	0.4
410.18216	0.6
427.12686	1.6
427.20819	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47258	0.2
60.26484	0.2
61.02868	0.2
69.03432	0.4
70.06581	1.3
72.08157	1.9
77.67676	0.2
78.47762	0.3
81.03421	0.4
84.08124	0.3
85.02900	1.0
89.03931	1.0
89.10781	0.3
98.06072	0.3
98.79668	0.2
114.09168	0.3
115.08678	1.0
116.05341	0.3
117.03372	1.3
121.06563	0.2
127.03924	0.3
135.04404	1.0
136.06178	1.4
145.02841	2.2
149.06000	2.5
162.04147	1.0
163.03911	10.0
177.05478	100.0
200.66508	0.2
207.07629	0.9
248.12817	1.1
265.15567	2.0
281.09906	0.4
409.12286	0.4
410.18216	0.6
427.12686	1.6
427.20819	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33788	0.3
70.06570	0.4
72.08148	3.8
85.64082	0.4
89.03887	0.4
89.10795	2.7
117.03339	1.5
145.02853	26.0
149.05988	0.5
163.03886	6.5
169.57976	0.3
177.05470	100.0
217.18019	0.4
245.61668	0.4
248.12914	3.4
251.13890	0.5
265.15479	7.2
311.24896	0.4
367.16180	0.3
376.03473	0.4
409.52243	0.4
410.17978	0.6
410.95935	0.3
427.20816	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	427.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59952	0.7
63.34595	0.6
69.07067	1.0
72.08127	1.0
79.05476	1.0
81.07072	1.7
84.04509	4.4
93.07047	1.2
95.08612	1.3
103.05470	5.0
105.07027	9.8
107.08616	1.6
111.08093	0.8
112.17914	0.7
117.03397	4.9
119.08569	1.2
121.10145	1.5
122.09699	10.9
130.04988	0.8
131.04932	20.2
133.10165	1.6
142.77422	0.7
145.02861	52.8
147.11688	1.1
149.06006	1.4
151.07556	11.0
171.11752	0.8
173.13269	1.5
177.05472	100.0
177.98068	0.7
185.13301	0.9
187.12306	1.2
205.13364	6.4
233.12831	14.4
234.11240	6.7
251.13885	10.9
279.13422	3.9
301.64276	0.7
382.14291	0.8
427.18677	13.7
427.32178	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	427.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35541	1.3
51.96402	1.3
54.10018	1.4
72.08176	1.6
73.30049	1.4
79.05482	2.3
81.07094	1.4
91.05497	2.1
95.08598	2.1
119.08614	1.5
122.06741	1.4
134.06001	5.8
136.07573	2.0
162.05502	100.0
188.10719	2.8
206.11856	2.7
217.81769	1.4
230.11823	11.1
248.12788	14.8
248.34531	1.6
266.13892	3.5
308.86526	1.5
349.77100	1.5
427.18561	15.3
427.26822	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62209	0.1
57.80702	0.1
59.68007	0.1
61.71904	0.1
65.99886	0.1
92.54367	0.1
95.06092	0.3
96.06485	0.1
109.21706	0.2
113.07133	0.8
150.07762	100.0
282.11957	0.8
295.11517	31.0
324.19928	0.3
380.33456	0.1
383.27380	0.3
427.15872	1.0
427.26056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1392
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
58.76968	1.4
63.66626	1.7
67.05505	2.3
67.69392	1.8
71.09847	1.7
71.55003	1.7
77.17357	1.7
81.07053	2.8
83.82338	1.6
93.07058	2.2
95.08631	3.0
98.77288	1.6
109.10155	3.4
119.08622	2.7
121.10147	6.6
133.10149	2.5
145.10123	1.8
147.11694	3.5
157.10194	3.3
159.11655	3.4
161.09715	2.0
161.13257	25.2
213.16467	2.0
219.08115	2.8
220.95634	2.0
247.07547	2.0
251.07141	3.6
253.19505	16.1
253.22121	1.7
263.07053	3.3
264.07693	2.4
265.08612	3.2
266.09366	2.4
267.10364	3.1
271.20535	61.4
276.07639	1.9
277.08649	2.5
279.10278	3.2
291.10184	2.0
293.08215	2.7
294.08740	3.2
295.09738	11.0
306.08731	2.0
307.09726	7.9
309.08032	1.9
309.11130	13.9
323.09167	14.9
325.10831	2.8
335.09375	2.8
337.10587	2.7
344.23337	1.9
365.03717	1.8
367.12018	5.6
427.13928	100.0
427.26587	7.1
427.32190	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	427.1392
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
55.01898	0.6
61.86690	0.5
74.20157	0.6
81.07047	0.8
112.11243	0.6
126.85916	0.6
159.08023	2.6
170.09561	1.3
179.08633	0.7
181.04962	1.4
185.05928	0.7
202.07858	0.8
207.08141	1.1
208.09068	0.7
219.08020	2.4
223.07521	0.8
233.09799	0.9
234.06876	1.0
235.07552	2.5
236.08328	1.4
237.09102	1.5
246.06779	1.1
247.07603	2.5
248.08362	2.6
249.09096	3.7
250.06198	1.1
251.07079	3.9
251.10733	1.4
252.07904	0.8
253.08635	1.1
261.09140	1.1
263.07059	2.4
264.07834	3.9
265.08469	6.1
266.09299	2.7
267.10114	3.6
274.06256	1.2
275.07162	0.9
276.07800	1.3
277.08603	2.5
278.09338	1.2
279.06564	3.1
279.10147	4.4
281.08087	4.0
282.08994	1.0
289.08749	0.8
291.10254	1.3
292.07306	3.2
293.08145	2.5
294.08875	3.8
295.09692	8.3
296.10260	0.7
297.11337	0.9
305.07755	0.8
306.08911	2.6
307.09595	7.3
309.07712	1.8
309.11121	14.1
311.12643	2.1
313.10730	1.4
320.06894	0.8
322.08276	0.7
323.09094	18.7
323.12506	1.1
324.09729	0.9
325.10709	8.6
329.13770	1.5
335.09195	4.0
337.10791	5.0
339.12277	1.4
349.10526	0.9
352.09607	0.9
355.11948	1.2
367.11771	3.7
385.12759	0.8
410.68109	0.8
427.13895	100.0
427.26196	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	426.26
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.1
68.05025	1.6
70.06605	3.6
72.08132	1.1
80.93573	1.2
81.03425	2.5
81.07045	1.3
85.02877	1.2
86.09690	1.2
95.06100	78.7
95.08546	1.2
113.07140	40.6
119.08569	1.4
120.78170	1.1
127.03986	1.2
130.15927	2.4
133.07605	7.0
142.18544	1.0
142.21925	1.0
145.05058	1.1
151.08659	1.4
151.69766	1.1
175.02193	1.1
198.53093	1.0
220.26906	1.0
283.50775	1.2
287.17566	6.9
299.47443	1.2
305.18567	28.2
323.19669	100.0
339.19019	1.6
382.27008	84.5
426.17294	3.5
426.26007	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	426.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58679	0.2
55.05519	0.6
55.48024	0.2
56.05030	0.3
57.03444	0.4
58.15921	0.3
60.08175	0.3
67.05503	1.5
68.05035	0.6
69.03439	1.3
69.07075	0.4
69.62827	0.3
70.06595	3.3
71.04991	0.6
72.08147	1.9
75.23831	0.3
76.02215	0.3
79.05499	0.6
81.03422	3.2
81.07053	1.7
83.08620	0.7
84.04521	1.1
84.08141	3.2
85.02422	0.4
85.02903	7.6
85.06571	0.3
86.06046	0.4
86.09702	1.2
87.00847	0.5
91.05472	0.3
93.07027	0.6
95.06091	74.7
95.08594	0.6
97.02869	0.5
97.10152	0.3
99.08090	0.4
102.05585	0.4
103.02868	0.3
105.01887	0.6
105.07040	2.7
107.08588	1.3
110.07165	0.6
110.20866	0.3
111.05601	1.0
111.08057	1.2
113.07130	100.0
115.08706	0.5
119.08561	1.5
120.08124	1.2
121.10157	0.5
122.06001	0.6
122.09656	1.2
123.11727	0.4
125.09630	1.5
127.03890	1.3
129.10252	4.1
130.10573	0.5
131.08521	0.3
133.10129	0.6
136.07587	1.9
138.09138	0.5
139.05095	0.5
142.13240	0.4
143.10674	1.9
145.04977	0.4
146.05949	0.5
147.11723	1.3
150.05530	0.7
150.79367	0.3
157.10143	0.7
159.10358	0.3
161.11768	0.6
164.07050	0.6
165.12737	0.6
175.11133	0.4
179.07083	0.4
188.83875	0.4
193.12265	1.8
211.13329	1.3
216.06735	0.4
229.27190	0.3
277.19147	0.5
287.13916	0.4
291.17050	0.4
292.08212	0.4
305.14984	2.1
305.18616	5.7
323.19635	51.9
337.44220	0.4
339.19269	1.2
349.17593	0.6
367.18793	0.6
367.39291	0.4
382.26987	61.4
385.02423	0.4
408.16666	0.4
416.73257	0.3
417.18011	0.4
417.23431	1.3
426.26019	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71429	0.2
56.05046	0.3
60.50491	0.2
63.17571	0.2
68.76746	0.2
69.03432	2.4
69.07076	0.4
70.06586	0.5
71.08637	12.2
72.08144	0.3
81.03432	0.3
84.08166	0.3
85.02912	1.5
87.00815	0.3
88.11272	100.0
93.07020	0.2
95.04970	0.2
97.02892	0.9
97.06550	0.9
105.01849	0.3
107.08627	0.3
109.02918	0.2
113.06036	0.3
115.07578	0.3
122.02676	0.3
125.05997	0.8
125.09632	16.7
127.03947	1.2
143.07076	1.2
161.08116	1.4
191.10570	0.2
231.05121	0.2
246.11644	0.4
264.12711	0.3
283.20224	0.2
373.11249	0.3
376.08667	0.2
383.65591	0.2
408.20300	0.2
426.17831	0.4
426.23105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2026
Annotation	(+)-Cyclotryprostatin B
Peak:m/z	Relative Intensity
55.05513	6.6
60.10210	1.0
61.83836	1.1
70.06243	1.8
70.06604	42.2
72.08165	100.0
81.45792	1.1
89.01261	1.1
91.05487	7.2
92.18432	1.5
93.44568	1.2
95.06128	2.1
98.06051	2.2
105.07040	2.7
112.68008	1.1
113.07136	2.1
119.04920	1.4
120.08107	70.1
130.06517	10.9
136.07613	20.1
146.06006	21.0
147.09167	4.9
162.05516	4.4
165.05440	2.7
166.91254	1.1
172.11211	7.9
174.12770	34.0
176.07048	1.2
182.08116	7.7
188.10841	1.9
200.10733	7.8
206.66017	1.2
217.08719	1.8
217.13353	49.1
235.10173	1.2
245.12866	53.5
245.15335	2.4
259.45166	1.2
281.12820	1.9
293.12881	9.4
309.12384	9.3
323.19644	2.5
329.14569	1.2
339.13422	17.6
355.12814	21.1
382.26834	1.7
409.17645	6.8
426.20334	41.5
426.25824	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	426.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16340	1.1
57.07065	1.0
95.08595	2.8
105.03550	1.3
108.14536	1.3
113.09637	3.0
123.65038	1.3
128.34113	1.1
187.11168	1.9
189.88882	1.4
209.13341	1.4
213.09171	1.3
219.10153	1.3
225.09175	2.6
227.14406	2.6
237.12709	2.3
239.10521	1.2
239.48360	1.5
243.10248	1.7
245.08054	1.4
247.06024	1.6
249.07605	7.0
253.12167	2.8
255.13835	2.5
267.10004	1.3
271.13348	6.5
273.11151	2.5
281.11685	6.8
283.13315	2.9
284.78995	1.4
289.14603	4.3
299.12766	9.9
301.14362	2.8
309.11179	2.2
317.13901	8.2
319.15503	1.8
327.12396	9.6
329.13834	3.0
335.15063	2.2
345.13370	18.1
363.14560	2.6
373.12766	2.1
391.14197	1.5
409.14926	26.3
426.17566	100.0
427.16003	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.51182	1.3
56.31454	0.9
57.07069	7.3
57.37435	1.0
62.00497	1.0
62.82915	1.3
67.05509	1.4
69.07079	4.7
71.08630	5.2
79.05502	1.5
81.07074	8.2
83.08625	2.1
83.72250	1.1
85.10156	1.9
86.09715	6.4
89.06004	1.7
93.07051	5.7
95.08614	5.7
96.47667	1.1
97.10159	1.3
105.07019	4.6
107.08595	5.6
109.10178	2.0
113.00019	7.3
119.08575	5.1
121.10124	6.7
123.11623	1.4
129.07065	1.2
131.08554	2.5
133.10139	5.2
135.11688	4.8
143.08549	6.1
144.09412	1.2
145.10115	11.1
147.11696	20.4
149.13264	1.6
151.19756	1.5
157.10162	6.8
159.11688	32.8
161.13266	7.8
169.02618	10.2
171.11678	10.5
173.13287	10.2
175.11186	1.8
176.11537	1.3
183.11783	1.9
185.13295	5.0
197.13220	5.8
199.14952	5.1
211.14851	2.4
239.18016	5.0
251.17960	5.5
253.19493	100.0
254.20279	24.5
254.22794	1.4
283.16916	11.8
284.17276	24.5
313.27472	5.5
340.23462	13.8
379.33582	1.8
407.33102	7.1
408.33899	8.2
425.34091	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	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.85109	1.1
55.05523	2.1
62.70835	1.2
67.05505	6.7
69.07074	6.3
79.05495	2.7
81.07062	16.0
83.08618	3.4
91.05491	6.9
93.07027	16.6
95.08608	30.2
99.08102	5.5
105.07040	21.0
107.08598	36.9
109.10165	21.8
119.08584	38.5
121.10152	32.4
123.11730	7.8
131.08589	21.0
133.10141	25.1
135.11700	16.7
137.13351	1.9
145.10150	23.2
147.10530	1.7
147.11679	49.3
147.12770	2.2
149.13258	14.5
159.11674	22.9
161.13239	15.2
163.11218	2.9
163.14806	13.8
171.11668	2.7
173.13254	16.8
175.11148	1.4
175.14818	22.4
177.12737	2.1
177.16400	20.4
183.11745	1.7
185.13264	7.9
187.14812	39.8
187.16371	1.9
189.16386	11.8
191.14377	1.3
191.18021	2.8
199.14925	9.7
201.16393	53.5
203.14389	2.6
203.18007	8.0
205.15907	32.1
207.17465	3.2
213.16460	3.3
215.17973	2.8
217.15955	1.7
219.17592	6.1
227.17937	2.1
231.17442	1.7
245.19154	2.4
255.21178	2.5
335.27219	1.6
353.28638	3.3
389.32104	2.4
395.33566	1.5
407.33167	32.3
425.34137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22511	1.8
59.05001	2.5
60.37292	2.0
61.92308	2.1
67.05509	2.8
69.07059	2.8
72.53857	2.6
81.07053	6.0
92.18530	2.3
93.07064	3.3
95.05022	2.5
95.08592	11.8
105.07021	3.5
107.08596	3.2
109.10133	5.1
119.08555	4.1
132.35312	2.5
133.10078	4.0
143.08551	9.8
145.10126	5.1
157.10139	13.7
159.11723	3.8
160.95355	2.6
173.09602	5.8
183.11703	5.0
185.13225	2.9
197.13226	3.3
237.16425	9.3
239.17986	28.6
249.16447	4.1
253.19609	6.0
267.17444	100.0
268.18130	3.0
285.96912	2.5
368.05548	2.8
407.29636	5.8
425.24704	5.7
425.30463	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	425.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
55.05512	24.1
57.03450	2.5
57.07080	3.6
67.05511	86.7
69.03416	5.4
69.07075	27.1
71.05003	3.2
71.08623	3.6
75.48390	1.9
79.05505	29.5
81.03409	4.2
81.06613	4.5
81.07070	100.0
83.04995	4.0
83.08636	21.0
85.02908	19.3
91.05470	14.3
93.07066	31.7
95.08616	87.6
97.02900	13.2
97.06534	5.1
97.10164	13.1
99.04469	4.0
99.08101	2.7
100.07607	2.2
105.07039	20.8
107.04935	2.5
107.08625	21.5
109.09478	3.1
109.10172	42.8
111.04416	4.1
111.08162	2.5
119.08564	16.7
120.88866	2.4
121.06536	2.8
121.10155	21.5
123.11722	18.3
125.09614	4.6
127.03925	4.2
129.34322	2.5
131.08578	5.1
133.10139	15.4
135.08057	4.6
135.11687	13.0
137.13261	5.1
145.04958	3.7
145.10159	5.4
147.11696	11.6
149.13277	16.3
151.14890	4.0
156.53127	2.2
159.11723	4.5
161.13258	5.5
163.14832	4.9
173.13185	2.8
175.14755	4.6
177.16455	2.5
187.14914	4.7
189.16386	3.0
242.18159	2.1
245.22697	13.0
245.85452	2.3
261.22104	9.0
263.23712	43.4
273.18420	2.4
291.19580	13.0
291.23062	3.6
305.24780	2.6
329.24805	3.9
347.25769	15.1
371.25787	12.7
389.26773	14.2
407.28073	11.8
425.28812	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	425.2519
Annotation	Briarellin N
Peak:m/z	Relative Intensity
58.06647	1.1
62.70173	1.0
70.54367	1.0
70.90002	1.0
79.41367	1.0
81.07062	1.3
82.49931	1.0
87.20283	1.1
110.26737	1.3
129.95538	1.3
147.08215	1.1
185.33916	1.2
348.99612	1.1
425.25140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.9
57.03447	24.6
57.07084	1.5
61.02937	11.8
69.03439	31.6
69.07076	1.0
71.01349	2.1
71.08620	1.5
72.08154	1.6
73.02926	42.3
76.59172	1.1
81.03426	4.6
81.07064	1.5
85.02914	100.0
85.06521	1.1
87.04470	6.1
91.03963	4.4
93.07056	2.3
95.08590	2.0
97.02898	60.6
99.04453	5.5
107.04961	1.3
107.08599	1.7
109.02902	9.4
109.06528	1.1
109.10139	2.0
114.09174	12.0
114.10323	1.2
115.03940	33.9
119.08540	1.3
121.10117	1.4
127.03916	31.8
131.08600	1.4
131.85345	1.1
133.04964	13.8
133.10162	1.8
145.04967	38.0
145.10165	1.4
147.11707	1.3
157.10063	1.2
159.11713	2.0
163.03912	4.8
163.05991	19.6
177.09116	30.6
191.05701	1.3
213.70113	1.2
223.06047	4.3
241.07086	2.3
251.18173	1.3
253.19443	1.6
259.08124	7.3
295.10123	8.3
389.20007	1.8
425.17856	2.3
425.30676	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	425.2148
Annotation	Ser Tyr Arg
Peak:m/z	Relative Intensity
53.93002	0.8
63.30301	0.8
63.62523	0.7
71.87209	0.9
85.53864	0.8
131.60837	1.0
178.66216	0.9
183.74666	0.9
207.06253	1.4
213.52219	1.0
281.13699	2.2
365.19193	2.4
378.41461	0.9
403.87851	0.9
425.21423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.0
60.41248	0.7
65.07575	0.8
69.03418	1.0
70.06594	6.8
72.08160	43.1
79.81384	0.7
82.06590	5.9
83.04982	18.5
84.08146	6.5
85.02916	0.8
87.76976	0.8
88.04027	0.8
89.10769	3.7
98.06059	1.3
108.08167	1.5
109.46219	0.8
111.04473	9.2
120.08095	2.9
121.02828	6.6
123.04475	0.9
135.04445	12.3
137.06027	3.5
139.03926	4.5
143.01920	1.3
145.05980	0.9
147.04436	1.3
149.09731	0.7
150.05453	0.9
152.07056	1.9
153.05495	1.2
157.04910	1.2
161.02982	2.0
163.03900	15.4
164.07060	3.8
166.08571	1.5
185.02965	3.1
192.06569	1.6
192.10228	3.9
206.11752	26.9
209.12849	1.1
210.11282	5.1
223.14508	1.8
234.11264	21.2
234.13426	1.2
245.05098	4.4
245.12744	1.6
251.13957	8.0
252.12263	7.7
263.13922	5.3
264.89200	0.9
269.14896	2.8
360.82724	1.0
369.52029	0.9
384.01797	1.0
391.43344	0.9
407.18179	1.5
417.99561	1.2
425.10391	3.0
425.19241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.0
60.41248	0.7
65.07575	0.8
69.03418	1.0
70.06594	6.8
72.08160	43.1
79.81384	0.7
82.06590	5.9
83.04982	18.5
84.08146	6.5
85.02916	0.8
87.76976	0.8
88.04027	0.8
89.10769	3.7
98.06059	1.3
108.08167	1.5
109.46219	0.8
111.04473	9.2
120.08095	2.9
121.02828	6.6
123.04475	0.9
135.04445	12.3
137.06027	3.5
139.03926	4.5
143.01920	1.3
145.05980	0.9
147.04436	1.3
149.09731	0.7
150.05453	0.9
152.07056	1.9
153.05495	1.2
157.04910	1.2
161.02982	2.0
163.03900	15.4
164.07060	3.8
166.08571	1.5
185.02965	3.1
192.06569	1.6
192.10228	3.9
206.11752	26.9
209.12849	1.1
210.11282	5.1
223.14508	1.8
234.11264	21.2
234.13426	1.2
245.05098	4.4
245.12744	1.6
251.13957	8.0
252.12263	7.7
263.13922	5.3
264.89200	0.9
269.14896	2.8
360.82724	1.0
369.52029	0.9
384.01797	1.0
391.43344	0.9
407.18179	1.5
417.99561	1.2
425.10391	3.0
425.19241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
65.91269	0.5
69.03414	2.0
69.79715	0.4
70.06598	6.1
72.08157	42.8
77.72890	0.4
79.76912	0.4
83.04470	0.7
83.04979	19.0
84.08142	7.9
89.10787	1.9
93.03423	0.6
98.06048	2.3
110.08860	0.5
111.04439	10.9
115.08697	0.9
118.65636	0.5
121.02858	8.1
134.09967	0.5
135.04422	13.2
137.05980	2.2
139.03891	6.9
146.54442	0.6
152.07086	0.7
153.05484	1.2
157.05034	0.7
163.03885	11.6
164.07080	3.5
164.39908	0.5
171.22711	0.5
192.06618	2.1
192.10188	5.2
206.09789	0.9
206.11754	28.0
210.11308	5.2
222.11218	1.1
223.14413	2.8
227.13947	1.9
228.12352	1.7
234.11246	22.1
251.13818	5.9
252.12285	5.7
269.14993	3.0
274.81281	0.6
363.60541	0.5
373.77533	0.5
407.18515	0.9
425.19199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05543	0.7
56.96569	0.7
69.03426	4.0
70.06598	8.5
72.08163	30.8
73.02913	0.7
82.06593	1.4
83.04992	11.5
84.08145	7.3
85.02918	3.1
85.64520	0.7
87.04513	0.9
89.10793	1.3
97.02911	1.4
98.06084	3.0
106.06452	0.6
110.68761	0.8
111.04462	3.6
120.08106	9.3
121.02892	3.6
121.54594	0.8
135.04457	7.3
137.06006	1.8
138.05544	1.7
139.03929	4.0
153.05450	1.4
161.02925	0.8
161.69501	0.8
163.03888	11.2
164.07074	7.6
166.08678	3.9
192.06721	0.7
192.10164	1.2
206.11781	16.3
210.11212	1.7
217.13399	6.2
223.04767	0.9
227.11810	5.6
228.12405	0.9
229.13472	1.4
234.11250	14.2
245.12852	38.9
251.13913	3.9
252.12300	5.3
263.13898	27.6
269.14990	1.5
333.97949	0.7
381.11469	1.0
396.59567	0.8
407.18207	4.7
425.19360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28925	1.2
58.82881	1.1
67.19570	1.2
67.49973	1.1
72.08134	1.5
74.50339	1.3
81.07063	2.6
97.10169	1.4
119.01896	1.9
127.03862	1.4
136.84343	1.4
143.01915	7.3
151.40140	1.3
161.03026	5.5
185.02899	2.3
187.00871	2.6
229.01843	3.0
243.04964	1.6
245.06418	2.1
287.03723	24.7
289.05267	16.3
381.17871	1.5
393.63760	1.5
425.17822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30151	0.8
82.99847	1.7
86.67070	0.7
87.42937	0.7
95.86330	0.8
101.00869	4.7
119.01926	4.9
127.02408	4.5
133.93024	0.8
137.93721	0.7
141.65250	0.9
143.01907	100.0
145.03479	12.0
155.01900	23.0
157.03436	3.7
161.02956	83.1
167.01915	22.4
169.03442	6.5
173.02953	21.5
184.04549	0.9
185.02960	61.9
187.04507	5.3
191.03990	1.6
197.02914	6.0
203.04008	32.7
215.04033	3.0
227.01759	1.6
227.04008	42.6
245.05057	80.9
257.05020	1.7
258.49854	0.8
263.06125	26.2
275.06192	1.3
287.06064	1.8
305.07166	16.2
335.08371	1.0
360.72174	0.7
365.09314	9.5
383.10312	35.3
425.11411	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	424.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	42.0
62.74804	1.9
69.53974	2.1
71.08635	28.8
85.10210	21.3
89.06037	84.0
101.05029	2.3
112.02357	2.7
133.08600	30.8
136.22809	1.9
177.11256	5.1
197.84587	2.4
224.98959	2.3
239.14973	24.4
239.17302	3.3
251.43463	2.2
407.33719	100.0
424.36734	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	424.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	40.9
59.70807	0.8
69.07067	4.8
71.08633	32.8
73.06538	1.2
83.08614	1.4
85.10188	19.4
86.61721	0.8
89.06030	62.8
92.18246	1.5
95.26371	0.9
95.95324	0.9
96.17103	1.0
97.10163	1.6
99.11702	1.7
105.53409	0.8
111.11702	1.0
122.31680	0.9
133.08600	24.0
177.11201	1.8
239.14891	18.2
257.24847	1.2
283.16949	3.3
301.27121	1.1
378.52811	0.9
407.33682	100.0
424.25323	1.6
424.36380	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	424.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	3.0
63.21139	0.3
63.30305	0.3
77.50540	0.3
86.09715	17.3
93.46143	0.3
93.77335	0.3
97.06535	0.5
100.07649	0.5
101.68330	0.3
105.07009	0.6
119.08586	1.5
121.06454	0.4
121.10139	4.9
133.06505	0.3
133.10158	3.4
135.70732	0.3
147.11673	5.8
157.10135	0.3
163.11128	0.4
163.19788	0.3
175.11182	9.1
283.16928	100.0
333.77975	0.4
339.23184	44.3
383.20468	0.4
424.32071	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	424.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25500	0.3
57.07085	3.9
59.18077	0.3
86.09715	18.3
105.07039	0.9
119.08562	0.9
121.06526	0.6
121.10144	5.4
133.10085	2.7
147.11676	8.0
151.11206	0.6
167.95464	0.4
175.11176	10.4
185.13272	0.4
186.36633	0.5
283.16913	100.0
339.23181	42.3
422.29703	0.4
424.32086	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	424.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	3.0
59.35736	0.2
59.85312	0.2
61.17387	0.3
67.73685	0.3
86.09711	18.6
97.06512	0.5
105.07002	0.5
107.08606	0.3
119.08578	1.5
121.06518	0.6
121.10146	4.5
124.59717	0.3
125.00047	0.3
133.10101	2.9
147.07983	0.4
147.10600	0.4
147.11690	6.7
151.11206	0.6
157.10085	0.3
163.11113	0.4
163.38490	0.3
175.11192	10.0
177.12726	0.4
196.42050	0.3
246.69977	0.3
262.03223	0.3
268.08524	0.3
283.16934	100.0
334.93594	0.3
339.23206	38.8
388.24756	0.4
408.26074	0.3
424.32138	13.2
424.88443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18498	0.4
53.85482	0.4
53.97198	0.4
61.41967	0.4
65.12946	0.4
67.27290	0.5
70.39917	0.5
72.08163	20.6
89.10771	0.8
90.93722	0.5
91.05512	1.0
97.07646	3.7
100.87332	0.5
102.28233	0.6
104.65858	0.4
107.58278	0.5
114.10298	48.1
115.08698	3.7
131.12888	0.5
240.20538	0.5
252.10191	81.7
266.11768	2.9
293.12762	3.3
294.11255	27.1
347.59048	0.6
364.20175	7.1
365.18597	18.2
382.21240	1.1
407.20892	10.0
424.23431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01878	3.8
57.03440	4.0
61.02929	1.6
64.14391	0.9
67.05509	12.6
69.03436	13.6
69.07066	7.4
70.06594	8.1
71.04993	4.4
72.08147	5.1
73.02914	2.5
74.77625	1.0
76.03936	1.1
79.05497	24.8
79.92032	1.0
81.01128	1.0
81.03422	10.0
81.07072	10.8
84.04523	1.7
84.08134	2.0
84.61551	1.2
85.02907	49.7
85.03425	1.8
87.00832	21.2
87.04441	1.0
93.07055	10.3
95.04982	1.5
95.08609	17.2
97.02895	23.9
97.06535	36.7
98.06045	1.2
99.04454	9.1
104.77365	1.2
105.01875	42.3
105.07044	9.1
109.02872	17.9
113.09609	1.0
115.07565	1.1
117.03434	0.9
123.08074	24.1
127.03047	1.8
127.03927	36.1
129.01846	1.8
130.04971	1.2
141.09109	100.0
145.04984	12.7
159.02901	8.7
159.10201	4.1
163.03891	6.0
176.07054	2.3
193.04941	4.2
213.03963	1.4
231.05029	13.2
235.21762	1.2
249.05954	10.2
260.43393	1.3
288.05136	1.2
298.97217	1.1
324.48557	1.2
353.12296	1.9
371.13522	1.5
386.65100	1.2
389.14474	1.5
424.17261	1.2
424.21738	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	424.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.7
55.05494	2.0
57.03439	2.9
60.08150	1.4
67.05517	3.2
69.03439	14.4
69.07066	5.2
70.06586	7.3
71.05006	1.6
72.08173	10.6
73.02904	2.9
81.03417	10.1
81.07064	23.2
84.08138	1.9
85.02418	2.6
85.02910	69.5
85.06571	1.5
86.09697	1.8
87.00846	17.7
91.05445	1.5
93.07044	2.2
95.08608	66.3
97.02908	25.7
97.06537	7.0
98.06084	1.9
98.07205	2.0
99.04459	13.0
99.08104	3.1
105.01872	32.2
108.04455	1.4
109.02886	36.0
113.09678	11.9
114.10265	2.3
115.07561	22.3
120.08102	5.9
123.08070	56.3
127.03918	59.2
129.01820	2.1
130.05075	1.4
133.10133	1.8
136.07588	7.1
141.09113	100.0
145.04994	10.2
158.97450	3.3
159.02861	10.7
159.10162	55.4
159.11438	2.6
213.03995	15.0
216.98030	3.0
231.04912	15.2
234.99020	22.0
249.06085	9.0
267.12283	5.4
315.07700	1.4
353.12549	2.3
364.40805	1.4
365.03094	13.2
371.13272	12.2
383.04315	10.6
389.14410	18.9
407.15628	3.2
424.17609	10.1
424.27396	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	424.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01873	1.5
55.05520	1.2
57.03435	3.0
59.12906	0.5
59.13346	0.6
61.02945	0.9
67.05501	2.8
69.03438	8.8
69.07082	6.8
70.06591	1.4
71.04990	1.3
72.08151	4.3
73.02917	1.3
73.98723	0.7
81.03431	7.9
81.07062	10.3
83.04980	0.8
84.04500	0.6
85.02909	39.8
86.09707	1.3
87.00831	11.3
87.71600	0.6
89.58751	0.7
92.18413	0.7
95.08611	100.0
97.02895	16.3
97.03464	1.2
97.06520	2.7
98.06026	0.8
99.04456	9.0
99.08081	4.6
102.11466	0.6
103.03912	3.1
104.22099	0.7
104.87439	0.7
105.01878	18.4
108.37392	0.7
109.02884	21.7
113.09644	6.2
115.07568	13.7
123.08069	47.3
123.11665	0.8
127.03913	35.8
129.01813	1.0
141.09106	62.2
143.07230	0.7
145.04971	5.2
147.02904	1.1
158.09677	4.5
159.02917	5.2
159.10167	61.2
160.11253	0.7
165.36935	0.7
175.02913	0.9
176.07149	3.3
176.10712	9.5
213.03909	5.3
231.04985	8.4
249.06102	2.9
267.12274	3.2
288.68570	0.6
353.12341	1.3
371.13342	11.4
389.14365	8.7
407.15350	0.8
424.16556	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	424.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	8.4
64.20532	0.6
70.06592	1.5
72.08141	5.0
80.43070	0.7
81.07048	4.1
84.08161	2.7
94.42940	0.7
96.08138	4.0
104.67549	0.8
107.04964	15.8
109.06512	1.6
114.09161	1.6
122.05988	1.0
124.07597	9.9
134.74615	0.8
152.07098	2.7
163.03876	0.9
169.17027	0.7
169.18526	0.8
170.08130	1.3
170.09500	1.1
207.06592	1.0
213.05632	0.9
213.09050	1.5
239.07092	1.0
255.06519	10.8
269.08057	0.8
309.07526	22.0
323.09103	17.8
333.11203	4.4
335.09146	34.7
335.12833	8.1
345.11160	1.2
346.98956	1.0
350.13931	1.1
362.13858	65.5
378.13449	5.3
380.14783	10.9
387.91705	0.8
407.17764	0.9
423.70221	1.5
423.77243	4.9
424.13889	100.0
424.19034	4.2
424.27066	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59890	0.3
55.05523	2.9
57.03439	1.7
57.07083	0.8
63.07471	0.4
67.05509	3.9
69.07080	6.7
71.04984	2.2
71.08621	0.9
74.36402	0.3
75.04494	0.6
79.05505	0.8
81.07067	8.4
83.04967	0.7
83.08633	4.0
85.06536	0.7
90.35285	0.4
91.05471	0.6
92.17905	0.5
93.07053	6.0
95.08615	8.4
97.06537	2.5
97.10137	0.6
99.08090	0.4
105.07007	2.3
107.08619	5.0
109.06522	5.1
109.10164	3.8
111.08073	1.9
114.78191	0.5
119.08595	4.0
121.10158	4.5
123.08073	32.0
123.11710	2.7
125.09630	0.5
131.08562	0.5
133.10139	4.7
135.08052	3.0
135.11703	2.6
135.93886	0.4
137.09633	3.5
138.02486	0.4
145.10112	2.7
147.11705	2.8
149.09601	1.0
149.13242	2.3
151.11237	0.8
151.13379	0.5
157.10223	0.5
159.11662	3.3
161.13240	0.9
163.11116	0.5
165.12749	0.8
167.14325	0.5
173.13228	1.6
175.14761	0.6
177.12712	5.0
179.14308	18.7
191.14328	0.8
193.15822	0.6
205.15921	0.9
233.18877	0.6
247.20552	1.7
261.22049	0.6
263.20099	1.7
275.20056	5.6
290.90732	0.4
293.21060	3.7
303.26813	3.1
331.26340	17.4
349.27478	3.5
351.82629	0.4
367.24722	0.5
368.99481	0.4
384.52826	0.5
423.31067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69633	1.4
67.05503	3.3
69.07059	3.3
78.63815	1.4
81.07043	10.2
83.08572	1.9
93.07020	3.5
95.08603	6.8
97.06448	1.9
97.10155	1.7
105.06992	6.0
107.08596	3.1
109.06528	3.1
119.08561	3.4
121.10144	3.5
123.08086	36.5
128.72966	1.6
133.10158	3.6
135.08069	3.2
135.11710	2.2
137.09592	1.6
147.11719	3.2
159.11655	2.8
161.13190	2.3
177.12737	6.7
177.79434	1.8
179.14311	12.4
199.25026	1.8
247.20746	2.0
270.71060	1.9
275.20029	9.8
303.26736	6.7
331.26361	19.0
335.15842	1.7
387.69775	2.0
423.31055	100.0
440.95895	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
50.70336	2.7
51.83467	2.9
54.20731	2.7
65.31477	2.7
81.07057	5.8
84.29193	3.4
93.07058	3.6
95.08595	4.6
108.15506	3.4
109.06524	3.8
119.08589	4.2
121.10150	4.5
123.08099	27.7
135.08072	4.4
159.11650	4.4
179.14250	34.4
197.58450	3.3
303.97998	3.6
331.26239	13.4
423.31152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08509	5.9
78.10542	6.8
93.33071	6.9
107.08618	8.8
123.08145	15.0
129.00150	8.0
179.14342	39.0
275.19952	11.4
303.26950	7.2
331.26550	8.9
423.31219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62947	0.6
55.05520	1.2
67.05503	1.1
68.17405	0.8
69.07066	1.6
70.06581	4.3
72.04514	1.7
72.08173	7.8
79.05496	1.4
79.22138	0.7
81.07050	4.6
86.07165	0.9
87.07989	0.8
91.05468	1.6
93.07045	13.2
95.08587	3.0
104.57608	0.7
105.07037	3.1
107.08621	7.6
109.10143	3.3
112.07574	0.9
113.10783	7.5
114.09172	40.9
115.08678	3.5
119.08578	1.4
121.10119	4.4
126.10278	1.0
130.11154	0.7
131.08568	4.2
131.11803	7.3
133.10133	3.1
135.07980	0.9
135.11716	8.3
142.11906	0.8
144.08130	1.0
145.10144	4.4
147.11740	1.3
149.09613	0.8
149.13252	8.5
150.09172	6.8
156.11331	8.5
159.08075	1.5
159.11699	1.2
161.13319	1.0
164.10780	0.7
167.11804	3.4
170.09691	6.1
171.10364	4.0
173.09677	1.4
173.13998	6.6
177.09143	1.3
187.14836	3.9
190.67804	0.8
197.14043	1.3
198.12178	0.9
202.14587	5.6
205.14684	0.8
215.14314	7.6
218.15494	1.5
244.16946	0.8
269.16064	0.7
286.21643	15.3
301.19131	4.1
303.24332	1.8
348.16544	1.6
363.26266	3.6
385.15079	0.9
388.26126	1.4
405.28619	100.0
423.19574	10.6
423.29657	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02075	0.6
50.71249	0.7
70.49921	0.6
72.04505	1.6
72.08152	1.7
81.07053	1.3
84.05636	7.6
93.07018	0.9
95.08599	1.2
99.03367	0.8
105.07049	1.5
107.08654	1.0
113.10794	1.0
114.09164	20.9
119.08563	1.1
122.84126	0.9
135.11684	1.0
138.10208	1.2
145.10146	0.8
149.94525	0.8
156.11427	1.3
159.11707	1.2
173.13934	1.1
197.13986	42.1
237.13409	1.2
269.16010	3.1
292.20184	1.3
349.89139	0.9
405.28601	19.6
423.29684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.8
55.05522	22.5
57.03440	3.3
61.56624	2.7
66.40485	2.6
67.05185	3.9
67.05517	86.0
69.03442	23.8
69.03743	2.9
69.07068	18.9
70.87550	2.7
71.05012	5.7
79.05499	62.6
81.03416	16.4
81.07063	100.0
83.04979	4.6
83.08630	6.7
85.02899	15.0
91.05492	25.9
93.07050	86.5
95.04945	5.2
95.08615	79.4
95.09209	2.7
97.02892	62.0
97.06498	3.9
97.10154	4.2
99.04462	29.1
105.07033	36.4
107.08609	60.6
109.02869	18.8
109.06557	3.4
109.10165	43.2
111.04433	2.9
117.07024	19.4
119.08582	43.9
121.10143	64.7
123.08091	3.2
123.11713	17.3
127.03925	41.3
129.06918	3.9
131.08560	29.3
133.10141	29.1
135.11678	34.9
137.09674	4.5
143.08548	3.6
145.04982	12.1
145.06500	3.0
145.10149	25.6
147.08020	4.0
147.11739	31.3
149.13277	17.2
157.10176	3.6
159.08073	3.1
159.11728	20.6
161.13266	14.8
163.14818	4.4
171.11639	3.8
173.13269	20.2
175.14842	5.2
181.10123	4.0
184.52914	3.2
185.13324	6.0
187.14864	11.9
199.14886	3.9
233.22641	3.7
243.21143	6.8
259.20523	6.3
261.22137	55.7
327.23096	3.2
339.23154	4.6
345.24350	5.4
357.24173	16.2
360.63812	2.9
369.24118	11.9
387.25278	12.6
405.26370	12.5
423.27341	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	423.2742
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.12185	6.5
55.05512	15.3
57.03432	9.3
67.05511	92.5
69.03427	29.7
69.07062	29.1
71.05000	7.5
75.63608	6.1
77.22974	6.1
79.05505	62.3
81.03422	45.5
81.07067	98.1
83.04977	8.7
83.08630	7.9
85.02910	14.9
91.05479	31.5
93.07046	91.8
95.04964	11.5
95.08606	92.6
97.02847	10.3
97.10153	8.1
97.16687	7.2
105.07026	40.5
107.08591	54.1
109.02863	6.9
109.10147	48.7
111.04460	9.5
117.07013	13.5
119.08624	55.3
121.10187	61.6
129.07054	11.4
131.08551	44.5
133.10135	53.3
135.11708	33.9
145.10133	40.5
147.11700	33.0
149.13251	12.8
159.11685	42.9
161.05766	8.1
161.13132	9.6
171.11678	8.1
173.09528	7.5
173.13261	15.3
175.14844	7.4
185.13069	9.0
199.14844	9.9
259.20557	11.0
261.22177	27.8
303.23239	12.9
341.60556	8.3
351.23083	9.1
369.24124	53.4
387.25375	64.8
405.26266	96.0
423.27301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76225	0.4
53.45304	0.4
55.05515	0.8
55.78171	0.4
57.07090	1.0
58.21325	0.5
68.04980	0.6
69.07066	0.5
70.06596	3.4
72.08163	17.8
73.04047	0.7
81.07049	0.6
82.06573	2.2
83.08630	6.5
84.08140	0.8
85.02885	2.1
87.00816	0.8
96.08129	6.5
97.06557	4.7
97.07658	5.2
97.08929	8.3
97.10156	1.1
98.06049	1.1
98.09702	1.0
109.02879	1.1
110.02415	1.2
114.09180	1.4
114.10297	32.1
115.08706	10.2
123.04442	2.3
127.03897	0.7
131.04953	2.3
131.08568	0.9
132.18428	0.6
135.08081	0.9
137.05997	0.8
142.08626	1.7
145.10216	0.6
152.07091	2.9
156.11374	0.6
157.15884	2.8
159.11699	2.4
163.03935	7.9
165.05379	0.7
167.07062	0.9
173.13260	2.2
175.07561	4.2
201.09131	2.3
201.12753	2.2
216.10219	0.6
217.08635	6.2
225.10301	0.6
233.12842	0.9
234.11224	1.1
235.12027	0.6
236.12810	2.4
243.10156	2.6
253.09587	1.8
260.12891	0.7
261.11292	6.7
265.07642	0.7
276.13535	0.6
279.11203	0.8
287.17584	4.4
288.16013	9.1
293.16098	2.0
313.19101	0.6
314.17572	2.1
330.18155	3.1
331.20139	14.0
332.18524	10.7
346.20099	0.9
356.19730	6.9
373.22403	3.5
374.20746	4.3
388.21857	0.6
391.23364	12.6
405.24814	1.0
423.20255	9.8
423.26001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
55.77306	0.4
57.03441	0.9
61.02898	0.4
69.03426	2.1
69.07074	6.9
70.06586	1.1
72.08164	23.2
73.02929	4.0
81.03429	0.7
81.07024	0.7
82.06568	0.7
83.05008	0.5
83.08603	1.0
85.02914	6.8
87.04443	0.5
87.99719	0.4
88.37801	0.4
92.83672	0.4
95.08604	0.5
96.08131	5.4
97.02930	4.2
97.06544	3.1
97.07654	3.8
97.08939	4.7
98.06052	2.3
98.09692	0.7
105.07093	0.5
109.02863	0.7
111.11711	2.2
114.09122	1.1
114.10298	31.5
115.03920	2.0
115.08688	10.2
117.01617	0.4
123.04449	0.8
124.47757	0.4
127.03942	3.2
133.10020	0.5
145.04964	2.3
156.11362	0.9
157.15857	0.6
163.03900	2.5
163.05998	0.7
165.05472	3.1
175.07553	9.0
180.71031	0.6
201.09155	2.9
217.08636	5.3
219.10147	4.6
225.09354	0.5
227.94832	0.5
234.11342	0.8
235.14507	0.5
236.12785	2.2
243.10196	1.9
251.06850	0.7
251.12770	1.8
261.11160	3.6
278.14874	0.6
287.17554	7.4
288.15942	14.3
289.16669	0.6
292.15366	0.5
293.16251	0.6
293.31882	0.5
305.18555	0.5
313.19077	1.8
314.17511	1.9
330.18158	5.4
331.20193	12.9
332.18567	10.0
346.19989	1.0
356.19730	6.9
358.43289	0.5
373.22510	3.6
374.20889	3.6
391.23398	10.8
423.26028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44154	2.9
69.03416	15.2
70.06603	3.5
71.04993	4.4
72.08154	6.0
77.60960	3.4
84.04490	7.1
88.11250	22.8
91.05475	14.3
93.07060	5.8
95.98720	3.0
97.33370	3.2
97.95850	3.1
98.06059	4.6
99.04456	3.7
105.07034	33.0
109.10147	5.2
117.07079	4.7
119.08587	65.7
121.06546	3.7
133.10133	89.2
143.08559	15.2
145.34016	3.8
147.08060	36.8
153.13892	6.8
154.12363	4.3
157.33205	4.3
161.09634	100.0
163.03893	4.8
165.09315	3.6
171.14902	41.3
179.10747	3.9
189.09132	7.4
199.14406	73.4
207.10204	43.3
405.23651	5.4
423.24625	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	423.2355
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
53.73325	0.5
60.83742	0.6
63.98777	0.8
67.05494	0.7
72.27880	0.6
81.07043	0.8
90.03925	0.7
112.10132	0.7
234.05592	0.7
311.09482	0.7
349.20087	1.0
423.23627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	4.0
60.04531	2.1
66.63348	0.3
72.08162	100.0
83.06112	1.7
83.62369	0.3
86.06056	0.4
86.09729	0.3
87.05618	0.4
103.02670	0.3
103.48650	0.3
113.07181	1.6
120.08111	6.7
123.79670	0.4
131.08182	4.1
141.01134	0.4
141.06607	6.7
141.10226	1.3
154.95932	0.4
159.07674	3.7
159.11298	8.8
166.08607	5.3
169.09775	0.8
187.10779	0.4
212.14049	1.5
240.13431	21.8
258.14487	9.9
265.15472	13.0
352.18774	0.6
386.18298	0.4
405.21426	1.5
409.28745	0.4
423.22443	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	423.2225
Annotation	Ambiguine B isonitrile
Peak:m/z	Relative Intensity
55.05519	22.7
57.03445	23.7
57.07069	3.2
59.31876	2.0
61.02928	14.2
67.05505	4.9
69.03432	46.3
69.07073	100.0
69.16707	2.5
70.06591	3.1
71.04970	3.1
72.08141	12.5
73.02921	61.2
79.05505	2.4
81.03420	14.9
81.07056	12.4
83.08624	19.7
85.02416	4.2
85.02909	93.8
87.04488	3.3
90.89941	2.2
91.05472	3.3
92.17807	5.3
93.07043	4.2
95.08601	4.7
97.02895	59.8
97.10155	4.6
98.06064	3.9
99.04449	4.6
105.07040	5.1
107.08556	6.1
109.02880	16.0
109.06508	3.3
109.10152	10.1
111.11721	43.0
114.09158	12.1
115.03945	44.9
119.08581	5.4
121.10151	4.8
124.07585	3.8
127.03915	32.8
131.04959	5.6
131.08534	4.7
133.04979	13.4
133.10165	4.2
135.11732	3.4
145.04944	35.7
145.10117	3.8
147.11674	3.2
157.15877	5.8
159.11723	4.4
163.03885	13.0
163.06020	22.8
167.06967	3.8
171.11589	2.8
207.13815	4.4
223.06192	3.1
234.11526	2.8
239.17960	3.1
241.07101	3.2
243.15895	5.0
251.14116	3.4
253.19661	6.0
259.08130	4.7
267.17261	3.0
273.17026	4.0
295.10226	10.5
349.57709	2.8
408.12787	2.6
408.18533	3.4
422.72043	4.3
423.09531	19.8
423.22699	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	423.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67295	0.1
70.06591	0.2
78.04708	0.7
79.05518	0.2
79.80112	0.1
91.05472	0.1
91.66249	0.1
93.07041	0.2
105.07041	0.4
106.04195	0.2
107.04972	1.0
120.08109	0.1
121.06499	0.2
122.03643	0.1
123.04413	1.3
124.05207	0.2
133.06485	0.4
134.03661	0.1
137.06009	0.2
149.05981	0.7
151.03877	0.2
152.04688	0.4
152.09271	0.1
161.05956	0.7
162.85696	0.1
165.09119	0.1
167.07037	100.0
168.49799	0.1
169.69923	0.1
179.07071	0.2
181.08604	0.9
193.08611	3.7
207.06464	0.2
211.09663	6.9
213.11198	0.5
278.12210	0.1
287.74429	0.1
423.22552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2017
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
55.01876	0.3
55.05519	0.7
57.07082	0.3
60.30271	0.3
67.05513	0.3
69.03444	0.4
70.06586	1.2
72.08160	6.6
76.20318	0.3
77.04537	0.3
78.04707	0.3
79.05493	1.7
81.03418	0.3
81.07013	0.4
84.08121	0.6
85.02903	0.7
85.06544	0.3
86.09666	0.3
91.05467	1.2
92.43283	0.3
93.05996	0.3
93.07048	1.1
95.04950	1.1
95.08597	0.5
103.05458	2.3
105.01809	0.4
105.03398	0.3
105.07037	3.4
107.04301	0.4
107.04966	6.5
107.08590	0.3
108.94154	0.3
109.06522	0.4
109.10126	0.5
110.06063	0.4
111.04469	0.3
114.10341	0.3
115.58214	0.3
117.07020	0.6
119.04977	0.5
120.08121	0.4
121.06500	1.8
121.56382	0.3
122.03640	0.3
123.04422	2.2
123.08014	0.6
124.05228	2.1
125.06006	0.6
131.04930	6.2
131.08481	0.4
133.06487	6.2
135.04478	0.5
135.08038	1.5
137.05998	3.9
141.07030	0.3
143.05949	0.3
145.02872	0.4
145.06534	2.3
145.10150	0.4
147.04405	1.8
147.08067	0.4
149.05994	0.4
151.07553	4.2
152.04724	1.2
153.05507	2.2
155.07024	0.6
159.07999	1.7
161.05971	7.3
163.03912	1.8
163.07542	10.5
165.05476	3.5
166.06186	1.4
166.08722	0.3
167.07040	100.0
168.07681	1.4
169.08138	1.6
173.06017	1.2
173.09631	1.2
175.07558	1.4
177.05495	1.2
177.09102	1.6
178.06253	0.5
179.07092	3.1
180.07799	3.7
181.04964	7.1
181.08577	3.9
187.07532	2.8
189.09074	0.7
193.05028	0.3
193.06844	0.5
193.08618	13.9
197.04543	2.0
197.07974	0.5
201.09169	1.7
205.08656	1.1
207.06541	0.5
207.10233	0.5
208.07332	5.1
219.10173	2.2
225.07631	3.5
226.08334	2.8
233.11786	2.4
237.11203	1.6
240.13501	1.3
258.14456	0.4
265.15479	0.6
291.10297	0.6
295.13403	0.5
323.12735	1.3
355.15414	7.1
387.18036	4.9
405.19138	5.3
423.13034	1.1
423.21436	1.8
449.98160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03977	2.3
55.05532	3.9
57.07083	2.8
59.53514	1.3
67.05513	6.1
67.72062	1.5
69.03455	6.1
69.07091	10.4
70.06631	1.7
71.04992	2.7
71.62702	1.6
80.03212	1.4
81.03419	16.8
81.07057	12.7
83.05003	12.2
83.08622	17.8
85.02926	12.4
87.00827	2.8
93.07063	3.8
95.04977	1.9
95.08593	23.4
97.02896	100.0
97.10220	4.0
99.04467	3.7
99.08106	2.5
102.48915	1.6
105.07033	2.9
107.08607	13.6
109.02887	53.7
109.06544	8.6
109.10167	92.6
111.08083	2.3
113.09647	1.9
114.10283	2.4
119.08590	36.3
121.10168	15.1
123.08080	10.5
123.11748	9.0
127.03921	55.8
131.04915	2.4
133.10143	19.4
135.11690	92.6
137.09612	20.1
149.13310	7.5
151.11215	7.8
151.14803	12.3
157.15909	6.8
163.03957	2.2
165.16365	2.6
166.00014	1.6
167.06972	2.6
175.14825	29.1
181.63876	1.6
191.14537	1.5
193.15881	61.9
211.16936	72.1
211.18921	2.5
213.03937	29.7
301.17938	3.2
319.19244	1.9
360.43146	2.0
423.19720	19.6
441.21207	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	423.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
58.21406	0.5
65.06905	0.6
67.05499	0.7
70.06593	2.8
72.08165	12.8
81.03416	0.8
85.02906	1.2
86.09718	5.3
87.81905	0.6
93.07011	0.6
98.06042	1.0
103.05476	1.1
114.10310	4.1
115.08691	1.2
119.08505	0.6
120.08089	3.6
122.13099	0.5
124.38230	0.6
127.03992	0.7
131.04936	28.0
133.10130	0.7
145.06512	0.6
162.09125	0.8
163.03889	2.3
167.06998	5.0
178.09756	3.3
189.12361	1.4
193.08588	1.0
201.13933	4.9
202.12268	6.9
205.08635	1.2
207.11357	5.3
224.72783	0.7
235.10757	1.0
244.14334	4.1
252.91716	0.6
261.17133	7.3
262.02676	0.8
264.04065	1.0
274.04898	1.0
276.06610	2.6
277.04971	0.8
290.04501	3.5
292.06061	2.6
301.10522	0.7
302.04474	6.5
304.06155	8.3
305.07114	1.1
307.06091	2.2
308.09229	1.1
319.11832	1.0
320.05728	0.9
321.06305	6.2
322.07123	3.7
325.16592	7.2
332.05536	8.5
333.06332	3.1
334.07117	3.0
335.05515	1.2
336.04755	0.9
336.08646	22.2
343.17899	0.8
346.07025	0.7
346.10852	0.8
348.19092	1.1
349.05893	5.4
352.08414	1.4
361.19183	0.9
364.08163	85.1
406.12842	17.6
414.05060	0.6
423.15509	100.0
423.22119	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	423.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03635	0.5
55.05533	0.7
63.70329	0.5
64.61703	0.5
69.44379	0.7
70.06581	2.5
72.08164	39.1
76.28255	0.6
84.05630	0.7
86.09731	0.9
93.07049	0.9
95.08639	0.7
105.07019	1.2
113.10799	2.7
114.09178	8.6
119.08601	0.7
120.08131	7.0
121.10145	0.8
131.11836	0.8
152.51895	0.6
154.08563	0.8
156.11307	3.2
159.08110	0.7
173.14009	4.2
197.14015	0.8
229.47536	0.6
277.04926	1.4
292.03702	2.9
302.04599	1.5
304.03717	3.3
305.04422	0.6
309.07684	0.9
320.05896	0.8
332.05524	3.4
334.07010	4.8
335.05496	17.5
335.09207	0.9
337.07129	1.3
349.06052	1.2
352.08246	5.1
353.06546	4.3
364.08179	100.0
406.12863	25.6
423.15564	91.9
423.22150	4.9
423.29501	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
63.05887	0.8
65.03939	3.8
66.70005	0.8
70.06619	1.0
71.01356	1.7
72.08157	4.3
78.04723	0.9
79.05488	3.7
80.13748	0.9
81.07047	1.6
85.02925	1.8
91.05477	5.0
92.17708	0.9
93.03394	3.8
95.04987	6.1
97.06510	1.4
105.03372	4.0
105.07033	2.1
107.04986	7.6
109.06527	6.8
110.03708	1.5
111.04484	6.3
114.09189	1.1
116.06210	1.3
119.04963	4.1
120.05714	1.0
121.06510	1.2
123.04440	8.9
124.05251	1.4
125.06010	1.9
131.04950	1.7
133.02859	10.2
133.06523	11.9
135.04466	1.1
136.05194	0.9
137.02318	0.9
137.05994	22.7
140.04695	5.0
141.05409	1.3
145.06494	1.0
147.04424	5.6
148.05190	3.7
151.03922	5.0
151.07535	6.6
153.05470	19.3
154.02539	1.2
154.06244	4.7
155.07027	6.8
161.05989	4.2
163.07524	2.1
165.05472	38.6
166.06271	13.7
167.07043	44.5
169.04982	4.2
171.06606	3.1
175.07759	1.0
176.04631	1.7
177.05435	7.4
179.07042	6.0
180.07825	38.0
181.04964	100.0
182.05716	1.7
183.06496	3.3
184.03697	1.0
187.78305	0.9
193.04945	9.0
193.08620	5.6
195.06483	3.1
196.07346	1.9
197.04460	24.0
197.08156	9.4
199.57834	0.9
204.73732	0.9
207.06485	11.0
208.07323	70.7
225.07581	50.4
225.09811	1.7
226.08363	46.1
241.07066	9.6
355.15546	2.0
373.09094	1.3
405.11771	1.1
423.12772	17.1
423.22073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33894	1.2
58.47191	1.1
61.11872	1.1
65.03931	2.7
66.46313	1.5
67.03308	1.1
67.05491	1.2
69.03432	2.0
69.07066	2.6
71.01351	2.8
71.04015	1.2
79.05503	1.7
81.03410	5.4
81.07047	2.5
81.48277	1.3
83.04955	2.2
85.02887	3.1
91.05469	3.3
93.03401	2.7
93.07053	1.4
95.04956	2.4
95.08599	8.3
97.02895	25.6
97.13161	1.2
102.56517	1.4
105.03367	2.2
105.07028	5.3
107.04971	2.8
107.08614	5.1
109.02885	14.8
109.06520	9.1
109.10152	24.1
110.03635	3.1
111.04444	3.2
114.79324	1.4
117.48717	1.2
119.04969	2.1
119.08578	8.7
120.05746	1.3
121.06509	1.6
121.10104	2.4
122.03606	1.4
123.04415	7.3
123.08047	5.8
125.05996	1.8
127.03928	12.2
133.02856	7.2
133.06479	9.6
133.10127	6.2
135.04388	1.7
135.11684	21.4
137.02333	2.6
137.05992	26.4
137.09602	3.1
138.06757	1.4
139.03949	1.6
140.04703	1.9
147.04422	2.9
149.05997	2.2
151.03874	3.0
151.07594	2.9
151.11180	1.7
151.14772	2.7
153.05464	17.1
154.06276	5.0
155.07028	10.3
157.22658	1.3
165.05458	37.9
166.06227	14.0
167.07043	17.5
169.04968	1.4
170.09586	1.7
171.06554	1.8
175.14801	8.4
176.04817	4.3
177.05450	8.7
179.07016	5.6
180.07817	40.6
181.04955	100.0
182.05763	2.2
183.06526	2.7
184.03659	1.6
193.04984	11.6
193.15909	14.7
195.06526	2.3
196.07294	3.2
197.04468	31.4
197.08061	9.6
203.14908	1.7
207.06458	7.3
208.07294	81.0
208.09212	2.9
209.95538	1.4
211.16864	18.0
213.03969	7.1
225.07549	52.2
226.08333	45.0
241.07002	12.1
276.42010	1.4
302.19592	2.2
307.75861	1.8
405.11819	1.8
423.12732	19.9
423.20801	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	422.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45686	0.5
58.06586	0.7
62.88020	0.6
63.13095	0.6
64.31181	0.6
65.77402	0.6
66.65294	0.7
69.07070	1.1
72.08154	0.8
79.47079	0.5
81.03407	0.8
85.02901	4.0
87.00813	1.5
92.17789	0.7
97.02886	0.9
105.01848	3.0
111.11720	4.3
120.01172	1.4
121.49872	0.6
127.03919	3.2
130.06567	0.7
139.11188	5.4
144.08087	18.3
145.04926	0.9
145.08978	0.6
157.12273	6.8
158.09717	1.5
167.06985	0.7
170.09639	79.6
171.10423	41.3
200.14293	0.7
202.14650	86.3
209.01801	0.8
226.15948	1.6
257.20203	0.9
301.19098	100.0
306.19501	0.7
335.18127	0.8
347.17813	0.8
377.19049	0.7
422.21072	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	422.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.8
56.79125	0.4
60.05663	0.6
67.05453	0.6
69.07079	0.6
70.06596	12.5
72.07810	0.6
72.08163	13.2
72.64102	0.5
81.07030	0.8
84.08159	0.6
85.02902	0.8
86.09682	0.9
93.07054	1.0
95.08582	1.2
97.07659	2.1
98.06040	3.4
105.06983	0.6
105.99698	0.5
114.10294	15.5
115.08698	1.3
127.03954	0.7
128.11823	0.8
129.01909	0.5
131.12930	1.0
139.07468	0.6
142.06128	2.2
156.08109	0.5
157.10913	4.1
162.05453	2.1
163.03920	2.3
172.03926	0.6
177.04280	0.7
181.10814	0.8
183.42825	0.5
186.05577	0.7
190.04984	2.4
192.06567	7.0
204.06598	2.5
211.09676	0.5
211.13051	0.9
212.10139	0.7
213.13416	3.1
216.06534	0.8
218.04443	3.0
222.07626	2.0
229.14192	0.8
232.06044	11.0
234.07600	2.5
239.11305	1.0
250.07126	3.5
259.04749	1.5
259.06976	5.8
260.05521	13.8
273.08728	0.6
274.07123	8.7
276.08762	0.5
284.06818	0.8
286.08124	0.6
300.12970	0.6
302.14795	0.7
312.13397	0.7
313.11783	3.9
317.16122	0.8
318.10880	0.6
327.14545	2.0
331.12857	2.6
345.14920	0.9
355.14075	5.0
359.17123	27.6
359.82294	0.6
372.16599	0.6
373.14990	9.8
387.16504	2.2
390.17657	1.0
404.19281	8.5
422.20248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96181	0.6
60.05647	0.7
69.03416	0.6
70.06599	4.9
70.61725	0.5
72.08160	14.5
80.39853	0.5
81.83565	0.5
84.08153	0.9
85.02911	1.3
91.05502	0.6
92.08537	0.5
94.43126	0.5
97.07645	2.8
98.06054	2.9
100.08754	0.6
109.02814	0.6
109.10173	0.7
114.10291	23.2
115.08678	5.4
123.04467	0.7
127.03899	0.8
131.12912	1.2
138.09142	0.8
139.07520	0.6
140.08174	0.6
147.04448	2.2
152.07083	2.6
157.10876	7.2
162.05510	0.9
163.03871	3.3
164.07025	0.6
176.07156	0.8
190.08749	0.6
192.06607	5.0
193.07272	0.8
194.08083	1.0
200.07114	1.0
203.07210	0.8
204.06584	6.1
205.07018	0.7
210.09151	0.6
213.13564	1.4
216.06554	0.9
217.07445	0.8
218.08159	2.2
220.06038	0.7
220.09766	0.7
222.07683	0.6
228.06577	3.2
230.08154	5.9
232.06039	18.3
234.07614	0.7
242.04463	0.7
242.11653	0.8
243.08769	0.7
243.12125	2.4
244.09517	4.1
245.06818	3.3
245.09787	5.3
246.07591	6.1
248.09169	4.1
249.11115	0.6
250.07130	5.9
255.11491	0.6
256.05969	5.7
259.11493	0.7
260.05585	1.1
274.07095	29.8
284.12750	1.0
285.13037	3.9
302.15857	2.5
314.66785	0.6
317.15063	0.7
333.08844	1.1
344.16113	2.5
345.14542	5.9
346.18820	0.7
359.17172	3.6
369.15524	2.9
379.15753	2.0
380.16385	2.3
387.16486	2.1
404.19284	13.6
405.17514	0.8
422.20355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35292	0.8
57.03438	10.7
65.03957	1.0
66.11764	0.9
69.03407	1.5
70.06592	3.9
72.08150	5.5
75.04482	5.5
83.04961	1.2
84.08129	1.7
84.20404	0.9
85.02910	11.1
91.05486	1.0
93.03414	9.3
97.02892	2.2
99.04440	1.1
107.04961	1.2
108.84241	0.9
110.03654	1.6
111.04449	17.5
121.06505	1.0
121.10099	1.0
123.00753	0.8
123.04413	1.1
125.05115	1.8
125.05991	37.0
127.03918	1.2
137.05960	4.5
145.57353	0.9
149.09624	4.1
151.03911	16.9
152.88750	0.9
154.02626	4.5
154.31171	0.9
163.03909	1.3
163.07484	2.2
165.05479	5.4
167.07083	2.2
169.04953	85.8
179.07063	7.6
183.06505	1.7
187.03705	1.0
197.08060	9.2
207.06604	1.1
207.13835	1.6
225.07559	2.2
225.14890	1.9
243.08630	100.0
387.29675	1.0
400.39090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.7
58.89089	0.3
72.08141	1.2
80.13460	0.4
83.03708	0.5
84.05627	16.5
85.06392	2.2
88.90541	0.3
97.06510	0.4
98.07176	64.5
125.05836	0.7
142.06108	0.7
143.06897	100.0
149.05939	0.4
156.07787	0.4
194.03549	0.3
206.09273	0.6
252.09772	40.9
253.10542	35.7
254.11359	2.7
293.91031	0.4
391.32489	0.4
422.15442	6.0
422.20395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
58.64601	0.4
70.06592	1.0
72.08155	1.1
81.76891	0.4
84.05637	17.2
85.06406	2.4
92.17808	1.0
98.07188	66.3
123.04528	0.6
125.05922	0.7
127.46898	0.5
133.18158	0.6
136.57039	0.5
142.06119	0.8
143.06914	100.0
175.05916	0.6
206.09123	0.5
241.94215	0.5
252.09796	43.6
253.10577	38.8
254.11476	2.6
287.04861	0.8
292.14130	0.6
378.15045	0.7
422.15210	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	422.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84711	0.2
53.41005	0.3
55.60579	0.2
56.05046	0.3
57.04562	1.1
60.05657	1.5
64.41016	0.3
70.06615	0.3
71.05002	0.6
73.11353	0.3
78.93127	0.3
84.05637	100.0
84.68394	0.3
85.06416	13.7
86.88692	0.3
91.64445	0.3
98.07184	9.2
110.07177	0.4
124.05072	1.1
126.78867	0.3
128.46283	0.3
129.92151	0.3
142.06113	0.7
143.06902	7.6
175.07585	0.3
235.09753	0.7
245.08154	0.5
260.10516	2.9
273.11188	0.5
319.15298	1.5
346.13797	0.3
363.14020	2.2
376.15057	0.4
378.16553	1.6
392.10886	0.5
422.15573	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04565	1.1
59.88781	0.5
60.05663	0.8
62.10369	0.5
64.97585	0.6
69.63906	0.6
72.08166	0.8
84.05641	100.0
85.02924	0.6
85.06413	11.3
96.05652	0.6
98.07180	7.9
121.10098	0.7
124.05024	0.7
142.06174	0.7
143.06935	6.6
156.87228	0.6
163.03912	0.7
169.08525	0.6
184.11244	0.9
185.11583	0.9
209.11472	0.9
210.12798	3.1
211.13123	5.2
212.10632	0.8
213.11099	2.5
221.08098	0.8
228.13800	3.0
229.14171	4.5
260.10446	1.3
319.15201	1.1
363.14429	2.3
378.16513	1.3
391.19565	1.2
422.15567	79.9
422.23605	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	422.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.3
56.93810	0.1
57.03428	0.2
57.04559	1.0
60.05657	1.1
65.25140	0.2
67.93194	0.1
69.03402	0.2
70.06571	0.2
72.08183	0.2
73.06415	0.2
77.29288	0.2
78.00776	0.1
78.14301	0.2
84.05637	100.0
85.02921	0.9
85.06414	12.6
87.75394	0.2
96.05604	0.3
97.06396	0.2
98.07187	10.1
99.07993	0.2
110.07144	0.8
124.05078	1.9
127.03984	0.3
128.04187	0.2
130.06522	0.8
131.06882	0.3
138.06647	0.2
139.07562	0.3
141.32315	0.2
142.06087	1.3
143.06912	8.0
144.08081	0.3
149.05981	0.2
161.06078	0.3
170.09561	0.2
171.09961	0.3
177.05525	0.2
181.08832	0.2
183.09970	0.2
183.21188	0.2
184.11246	0.7
185.11501	0.7
191.07016	0.4
192.07845	0.2
193.29173	0.2
196.10823	0.7
198.12874	0.2
199.13004	0.3
203.07056	0.3
208.99561	0.2
209.11568	0.3
210.12801	2.0
211.13112	3.4
221.08086	1.1
222.08916	0.2
223.09657	0.3
227.06972	0.2
228.13840	1.7
229.14177	4.0
233.08049	0.2
235.09694	0.3
241.08603	0.3
245.08020	0.2
257.04395	0.2
260.10385	2.0
267.08661	0.3
304.13007	0.3
317.10187	0.6
318.14536	0.2
319.15192	2.3
325.54608	0.2
330.10483	0.2
330.14288	0.2
332.12216	0.3
334.10373	0.8
344.12482	0.2
348.11826	0.3
350.89069	0.2
363.14294	2.6
376.15054	0.4
378.16675	1.6
390.13037	0.2
391.19260	0.7
392.10760	0.4
404.23865	0.8
422.15573	80.2
422.23566	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	422.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61983	1.1
56.62925	1.3
67.04231	2.4
70.06577	5.8
72.08137	9.1
76.02228	1.8
77.28165	1.2
84.05629	12.3
84.08138	2.4
85.06465	1.5
92.17784	2.0
95.06067	8.7
98.06554	2.5
98.07184	60.1
112.80400	1.5
114.10281	1.6
120.08134	1.5
123.04373	2.1
125.01713	16.3
126.02487	3.4
127.03226	8.2
143.06911	100.0
143.86450	1.5
147.04355	2.3
163.03867	8.2
164.57541	1.4
177.05360	1.5
214.15826	1.4
227.11789	1.8
235.05942	5.2
235.11096	1.8
241.06380	1.6
241.07559	1.2
241.09691	15.5
243.11176	8.4
252.09808	27.1
253.10568	35.1
254.10890	1.7
255.11261	13.0
258.12326	7.5
259.05362	28.5
259.10757	14.9
275.73285	1.3
283.10757	6.1
285.12247	2.4
287.04843	91.9
299.08527	1.7
301.11829	18.6
303.04272	2.0
317.13666	6.0
318.12643	2.1
319.04645	1.5
319.07523	27.0
378.14877	57.2
404.12564	2.8
414.57855	1.5
420.03250	1.5
422.13812	71.3
422.19424	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	422.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19926	0.1
56.05046	0.2
60.08171	5.3
61.86670	0.1
62.97203	0.1
67.04251	5.7
69.64716	0.1
82.02912	0.2
84.08133	0.2
86.00665	0.2
88.66873	0.1
95.06088	3.6
98.00652	0.7
111.05563	3.5
113.01714	3.2
115.03223	0.2
125.01700	32.1
126.01560	0.2
126.02474	4.3
127.03262	11.6
127.04205	0.4
129.01184	1.1
133.02852	0.6
137.05904	0.2
138.03888	0.2
139.05035	0.7
141.01178	6.4
142.01962	4.7
143.02747	16.3
153.01131	0.6
153.05440	0.6
153.73486	0.2
155.04489	0.9
161.02357	0.7
162.03120	0.3
163.03891	8.1
165.05452	0.3
165.99542	0.2
169.06142	0.3
171.02208	0.8
176.07159	0.2
185.09724	0.3
192.99553	3.8
193.05113	0.4
195.02295	0.9
195.06564	2.3
196.02977	0.2
197.08037	0.2
216.61557	0.1
227.08234	0.2
243.02196	0.7
243.08521	0.9
244.03099	0.3
246.04550	0.2
247.05362	1.5
257.03772	0.6
259.05350	5.5
259.07947	0.3
261.03409	0.3
271.01642	0.7
271.07086	1.2
275.04858	8.1
285.03284	3.5
287.04840	32.1
289.02783	4.0
303.04333	65.9
312.99344	0.3
313.02802	4.7
317.05835	0.6
319.07458	8.0
331.03763	1.6
335.06946	48.2
363.06436	100.0
378.14911	0.2
422.13800	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	422.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86199	0.2
55.05489	0.3
58.06599	0.5
60.08173	11.2
62.46823	0.2
67.03938	0.4
67.04253	6.1
68.05010	1.2
70.06599	2.7
72.07781	0.3
72.08161	4.2
84.04509	0.4
84.08118	1.7
93.04505	0.4
95.06100	13.2
98.00605	0.6
98.06063	0.3
100.07574	0.3
107.65352	0.3
110.07145	0.3
112.11209	0.4
114.10243	1.3
116.32085	0.3
117.03325	0.3
122.78664	0.3
123.04385	1.8
125.01704	27.1
125.07119	3.6
126.01576	0.3
126.02480	8.4
127.03262	10.6
129.10254	0.3
133.02815	1.6
133.06502	0.3
135.04399	0.7
139.05029	4.6
145.02859	0.6
149.00569	1.6
151.03946	0.3
153.05476	0.5
153.10210	0.3
155.11774	0.4
161.02330	2.0
163.02686	0.4
163.03912	8.2
163.17824	0.3
164.04231	0.5
165.00017	1.7
165.05554	0.4
177.05435	0.3
179.39525	0.3
184.98291	0.3
192.99554	5.6
200.07004	0.3
203.06468	0.4
206.02695	0.3
213.04776	1.9
220.09673	2.2
222.11284	0.7
226.07358	1.5
227.08163	1.2
231.05916	0.6
241.04282	1.8
241.09702	1.2
243.11304	0.7
243.17043	0.4
244.03062	0.7
254.06798	0.6
255.11212	1.9
258.12595	0.3
259.05359	41.7
259.10928	1.3
283.10641	0.5
287.04846	100.0
291.08063	0.4
301.11673	1.9
303.04373	2.2
317.13800	0.5
319.07480	14.4
331.03729	0.5
335.06796	0.6
363.01849	0.4
363.06302	0.6
378.14810	95.4
421.71933	0.3
422.13812	23.6
422.22870	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
57.69652	0.3
58.06611	0.3
60.08142	0.7
67.04253	5.0
70.06599	2.7
72.08161	5.2
73.08473	0.4
83.04966	0.4
84.04495	0.7
84.08138	1.4
85.02901	0.5
86.09679	1.3
87.07416	0.4
93.07043	0.4
95.04991	4.6
95.06096	8.0
97.07656	0.4
98.00626	0.8
98.06062	0.4
99.04395	0.4
102.05550	0.6
114.10275	1.7
120.08078	0.6
123.04420	1.8
125.01706	22.1
125.07144	3.0
126.02496	5.4
127.03254	9.1
127.04081	0.6
132.95833	0.6
135.04483	0.5
137.06046	3.8
137.06931	0.6
138.06340	1.5
138.39310	0.4
139.05046	2.0
139.06496	0.6
139.07535	0.8
143.02756	0.7
144.95816	0.9
145.02843	0.5
147.04410	1.5
149.00569	0.7
149.09779	0.4
149.34155	0.4
153.05440	1.5
153.09087	1.8
158.97420	3.5
161.02339	0.4
163.03893	5.4
164.04250	0.7
165.00047	0.4
165.05505	0.5
167.02750	1.5
176.98434	0.5
186.96951	1.7
192.99591	3.0
200.07115	0.5
202.97878	0.8
213.04698	0.8
215.08064	0.5
216.97963	3.2
218.97395	1.4
220.98978	1.4
222.11221	0.8
225.14807	4.0
226.07376	2.5
227.08151	2.2
228.06587	0.6
231.05566	0.4
234.98984	10.9
235.05940	0.4
236.06398	0.6
236.14873	0.4
236.98483	2.0
241.04303	0.6
244.02937	0.5
246.50984	0.4
254.06923	0.6
255.11252	2.1
259.05371	29.1
260.98407	3.6
269.04153	0.4
271.07162	0.5
272.98462	2.7
274.06927	0.5
278.99298	0.5
287.04849	100.0
301.11838	2.1
303.04178	3.1
319.07474	38.6
335.06870	3.2
363.01660	12.8
363.06244	1.7
378.14825	68.4
381.02554	5.0
388.10147	0.5
421.71384	0.4
422.13812	28.2
422.20993	6.9
442.79056	0.4
445.24023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67940	0.3
51.09323	0.2
53.23360	0.2
57.06829	0.3
57.07083	4.8
86.86682	0.2
98.55226	0.3
113.79871	0.3
134.12943	0.3
134.66907	0.3
138.52634	0.3
141.70125	0.3
184.69997	0.3
184.80873	0.3
209.12872	5.0
210.11281	0.4
218.12874	0.6
219.11356	0.5
275.17514	1.2
279.25247	0.3
292.20227	5.2
293.18561	8.2
302.18637	12.7
358.24954	2.2
376.25943	100.0
394.27020	2.0
394.87994	0.3
421.31717	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	421.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49433	1.8
55.05510	2.0
55.52564	1.9
57.03445	4.9
57.07088	17.6
67.05505	3.8
69.07070	4.7
81.07057	10.9
81.36094	1.9
81.80175	1.9
85.06544	14.8
93.07029	7.4
95.08607	9.4
97.06539	2.3
105.07039	4.1
107.08593	11.2
109.06528	4.4
109.10159	3.3
110.79942	1.9
119.08568	4.6
121.10140	4.5
123.08058	3.6
133.10139	2.8
135.08069	13.2
135.11664	3.9
137.05992	18.0
138.04114	2.6
145.10126	2.5
149.13210	2.2
165.12740	4.0
177.12761	12.4
179.14355	3.0
207.13849	9.9
222.16180	2.3
240.45721	2.6
263.20068	3.0
264.47781	2.2
319.26300	3.5
347.25748	44.9
365.26852	12.9
380.58350	2.3
393.29761	2.4
421.29596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.3
57.03449	3.9
57.07077	1.8
67.05513	3.5
69.07051	11.2
79.05508	3.8
81.07061	12.4
83.08630	2.2
93.07044	4.4
95.08612	10.5
97.06572	4.0
103.42634	2.0
105.07034	3.3
107.08588	11.3
109.06519	7.3
121.10159	3.8
123.08027	3.8
133.10129	3.1
135.08060	26.5
135.11729	3.6
137.05994	3.3
137.13385	2.2
145.10152	4.0
149.09628	4.5
153.12775	2.5
161.09613	2.8
165.12871	1.8
177.12759	17.4
179.14421	2.5
181.12285	3.1
191.14282	2.2
192.94209	2.2
203.14368	2.5
232.19049	1.9
280.70901	2.0
301.25430	2.3
305.24844	14.9
319.22690	2.0
329.24960	7.8
335.22137	1.9
347.25784	17.4
347.29483	2.1
365.26898	2.6
418.30991	2.1
421.23938	3.2
421.29556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2951
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
50.61277	3.2
50.86430	2.9
55.05514	5.3
64.07508	3.2
69.07065	15.5
70.90832	3.6
78.16745	3.2
81.07060	23.2
83.08611	12.7
87.76479	3.8
95.08616	31.8
97.10181	8.1
109.10156	16.4
122.12991	3.9
125.13239	3.5
147.04408	100.0
165.05463	15.5
226.24734	3.9
257.24808	27.0
403.28500	5.8
421.25189	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59305	3.0
53.62354	2.7
57.07055	4.2
65.09111	3.3
67.05521	6.1
69.07069	14.1
81.07050	15.6
83.08621	21.5
91.05505	3.9
92.18513	3.7
95.08625	28.2
96.54553	4.0
97.10143	5.7
109.10167	15.1
116.51273	3.2
119.04935	8.6
123.11771	4.1
136.16939	3.8
147.04420	100.0
220.62811	3.5
227.43933	4.0
257.24609	25.6
280.32648	3.5
437.66663	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	421.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
60.05644	1.7
67.05486	0.5
69.07069	3.3
70.06573	0.4
71.04992	1.6
72.08178	3.1
79.05512	4.4
80.27861	0.3
81.07059	1.6
81.32078	0.3
84.04521	0.3
85.02875	0.3
91.05475	0.5
93.07040	0.8
95.08604	0.8
96.08105	0.3
97.05926	0.7
97.06536	15.4
98.06038	0.8
101.88290	0.3
104.60239	0.3
105.07018	0.6
107.08589	0.4
109.10170	0.4
111.08072	2.1
112.08860	1.2
114.10295	12.1
115.08692	2.1
119.08577	1.7
121.10155	0.8
125.09579	0.4
128.11823	1.7
129.09131	0.7
131.08534	0.4
131.12923	6.2
133.10153	0.7
135.11731	0.3
137.05980	0.3
157.10895	4.4
159.11691	0.4
161.02359	1.5
163.03896	15.6
167.07027	0.4
173.02333	11.8
175.03925	0.5
177.05431	2.8
185.06024	0.5
187.03905	0.6
187.10834	0.4
195.08099	1.4
199.03911	0.6
213.05392	0.3
213.09015	2.6
215.07033	59.0
223.07529	1.3
229.08672	0.5
241.08582	18.8
258.11139	0.6
259.09650	31.1
273.08218	0.8
273.11215	23.9
318.69928	0.3
329.18573	1.9
330.17041	1.8
362.19666	1.5
372.19275	0.5
381.75211	0.3
385.24188	0.6
386.20639	1.4
389.21762	2.7
403.25159	0.5
421.24463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21202	0.4
57.03438	0.6
60.05665	2.1
66.07880	0.5
69.07076	3.5
70.06597	1.1
72.08183	4.7
79.05479	2.0
81.07066	0.6
84.04515	0.9
88.82346	0.5
96.08146	3.6
97.05932	0.9
97.06536	26.9
97.07587	1.1
97.08891	2.1
98.06068	1.1
105.07017	1.0
111.08100	2.1
112.08855	1.0
114.09158	1.1
114.10307	10.1
115.08659	1.0
119.08420	0.5
122.05988	0.5
127.05457	0.5
129.09048	0.7
131.12936	5.9
133.10129	1.2
136.10878	0.5
152.97670	0.5
154.23349	0.5
156.95027	0.5
157.10847	2.6
159.04459	0.7
161.02362	2.8
161.09665	0.7
163.03905	19.4
163.05182	1.0
163.97066	0.6
166.12270	1.1
167.07051	0.8
173.02341	7.3
178.12234	0.6
185.06052	0.9
196.13376	2.7
215.07036	58.5
223.07677	0.7
241.08568	9.0
250.13118	2.7
258.11246	0.7
259.09656	18.5
260.44302	0.5
261.08691	1.1
273.11255	3.2
285.12372	0.5
287.10278	4.1
291.12195	10.2
329.18576	2.7
330.17108	1.1
337.66299	0.7
362.19714	0.6
371.20630	1.2
389.21783	4.5
421.24466	100.0
424.18622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.245
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05644	1.4
69.03417	0.7
69.07070	6.4
70.06573	1.5
72.08157	6.1
78.80705	0.7
79.05485	2.0
81.03381	0.8
81.07069	1.2
81.28934	0.7
84.82952	0.7
85.02923	1.0
89.10786	0.9
97.06535	40.8
111.08066	0.9
114.10297	12.7
115.08672	1.9
120.71014	0.8
121.06454	0.8
121.93691	0.8
123.04403	1.3
129.09140	0.8
131.12941	5.1
137.30792	0.7
149.06021	1.9
151.03877	1.7
157.10851	1.3
159.04395	1.2
159.11641	0.7
161.02382	1.9
161.05956	1.0
163.03889	28.7
167.07037	22.9
173.02348	7.1
176.36574	0.7
178.22856	0.8
179.07030	5.0
181.08609	3.0
193.08571	1.5
211.09683	6.1
214.59496	0.8
215.07045	60.1
225.07616	6.6
241.08592	8.7
249.11263	1.6
259.09647	17.0
263.07022	6.7
263.61511	0.8
267.06586	0.9
273.11322	1.3
277.04938	3.1
291.06506	3.4
291.12277	12.3
293.86588	0.8
389.22000	1.8
421.19009	8.2
421.24438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.4
59.99915	0.4
65.87307	0.4
66.55376	0.4
67.79474	0.5
69.03403	0.5
70.06586	3.9
71.30081	0.4
72.08156	5.4
73.02914	0.8
75.56461	0.6
86.09717	1.3
120.08142	0.8
130.06564	0.6
137.08980	0.5
157.07571	1.0
160.07574	45.6
161.08383	2.4
163.03920	0.6
174.09134	2.5
186.09149	30.6
187.09798	7.1
188.09396	2.3
203.11821	2.8
204.12584	43.6
205.13326	2.4
212.10745	0.5
271.18134	1.3
289.19189	4.4
304.13086	1.0
421.23355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.4
59.99915	0.4
65.87307	0.4
66.55376	0.4
67.79474	0.5
69.03403	0.5
70.06586	3.9
71.30081	0.4
72.08156	5.4
73.02914	0.8
75.56461	0.6
86.09717	1.3
120.08142	0.8
130.06564	0.6
137.08980	0.5
157.07571	1.0
160.07574	45.6
161.08383	2.4
163.03920	0.6
174.09134	2.5
186.09149	30.6
187.09798	7.1
188.09396	2.3
203.11821	2.8
204.12584	43.6
205.13326	2.4
212.10745	0.5
271.18134	1.3
289.19189	4.4
304.13086	1.0
421.23355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.48418	0.2
61.02901	1.4
61.25675	0.2
67.13969	0.2
69.03442	3.5
69.07065	0.9
70.06598	0.4
71.04977	0.6
72.08131	1.1
73.02895	1.2
79.66190	0.2
81.03397	1.3
84.05622	0.3
84.08118	0.3
85.02422	0.4
85.02905	9.8
85.06517	0.5
87.04456	1.2
91.03929	0.6
91.05450	0.3
93.07017	1.1
95.04961	0.3
97.02895	4.1
97.06489	1.0
98.09644	0.4
99.04428	1.1
109.02866	1.4
118.06513	1.2
127.03923	3.4
130.06529	19.7
131.07277	1.1
132.08084	2.6
137.06053	0.3
144.08076	7.4
145.04956	2.0
147.04343	0.3
154.06482	0.4
155.07240	0.9
156.08083	2.0
157.10062	0.3
158.09647	5.1
161.05925	1.1
163.03867	0.6
167.07057	3.1
168.08098	5.9
169.08868	2.8
170.09651	6.1
172.07486	0.4
174.11519	4.9
177.05463	1.1
180.08096	1.2
181.04967	3.7
181.08853	3.1
182.08112	0.4
182.09636	6.0
183.10376	0.6
184.11206	19.9
186.09077	0.4
191.07007	0.5
194.09587	1.7
195.10432	9.3
196.11206	1.1
198.12778	11.7
202.12289	1.2
203.07004	1.1
208.11209	14.7
210.12775	66.6
212.14375	0.5
216.13831	1.7
221.08076	0.4
228.13824	71.0
234.11162	0.3
241.16901	2.0
259.18051	1.4
307.06592	0.3
325.07462	0.5
372.17828	0.4
378.18900	0.5
385.06873	0.3
385.12805	1.2
390.19073	10.2
390.23764	0.5
403.08121	1.0
421.09000	2.3
421.23334	100.0
437.81274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.0
55.88973	3.5
61.30716	2.8
63.09963	3.7
67.05517	3.3
70.06575	5.2
70.18908	3.3
72.08158	20.4
80.42535	2.8
81.07086	3.2
85.02895	5.6
86.31888	3.5
115.08725	3.4
119.08662	4.3
120.08094	4.5
123.06273	3.8
144.08070	6.4
147.04364	3.5
163.03941	5.5
163.14877	3.4
170.09625	7.7
173.13005	3.8
177.05391	3.6
198.12785	100.0
241.17091	16.9
242.11841	6.0
259.09750	4.5
284.12790	7.1
394.77411	3.4
403.19739	5.4
418.84622	3.8
421.08975	5.2
421.24579	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00463	0.5
61.02929	1.3
64.73903	0.5
67.18996	0.5
69.03421	3.7
71.83319	0.6
81.03457	0.7
85.02908	10.0
87.04470	0.9
91.03963	0.7
93.07038	0.7
97.02885	4.0
109.02878	0.9
118.06529	1.3
127.03930	1.5
130.06538	20.2
131.07329	0.8
132.08055	1.5
135.14450	0.7
137.34853	0.6
144.08104	8.1
145.04956	1.5
156.08076	2.7
158.09630	3.7
168.08122	6.7
169.08847	3.3
170.09641	5.1
174.11496	4.8
180.08067	2.3
181.08926	2.5
182.09694	6.4
183.10474	0.9
184.11203	19.3
194.09738	1.3
195.10435	9.8
196.11188	0.9
198.12799	12.6
202.12120	2.1
208.11218	14.4
210.12787	66.1
212.14319	0.9
216.13739	1.3
228.13840	65.3
238.06018	0.7
241.17039	2.3
259.18161	0.8
390.19110	11.4
421.23355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32407	1.6
53.56853	1.4
55.05514	9.3
56.28444	1.4
57.03430	3.5
57.07085	59.5
58.06597	1.6
59.05008	3.7
60.22271	1.6
66.80446	1.5
67.05504	12.9
69.03435	23.7
69.07084	15.4
70.06600	16.6
71.04980	8.7
72.08161	18.7
73.06539	10.2
79.05483	3.4
81.03426	19.7
81.06606	3.9
81.07068	91.7
81.07544	3.4
83.04975	7.6
83.08623	7.1
84.08157	14.0
85.02911	27.4
85.06554	100.0
85.08447	2.1
87.00811	7.1
91.05479	2.2
93.07085	2.2
95.04979	3.2
95.08614	66.6
97.02894	15.7
97.03462	1.4
97.10162	7.7
98.09679	3.4
99.04445	9.3
99.08107	62.2
105.07028	4.1
107.08605	6.7
109.02884	16.2
109.10155	9.5
111.04446	4.2
111.11712	2.6
112.07611	1.9
114.10294	8.1
121.10144	2.7
123.04453	9.1
126.09161	3.0
127.03933	24.1
127.11205	4.1
131.04971	2.5
131.12851	2.4
133.06483	1.9
135.08064	2.6
137.09624	2.6
137.13261	63.9
145.02881	7.2
145.04945	3.6
147.06572	2.0
149.09654	2.2
153.12784	14.6
155.10709	2.6
155.14310	81.8
161.06062	1.8
163.03906	16.3
167.07025	7.9
173.11778	1.8
173.15379	40.3
177.05490	7.5
182.52362	1.8
183.06500	2.9
187.06038	2.5
191.14423	3.2
191.16466	12.1
192.07820	7.0
209.15434	2.2
210.12816	2.4
231.05043	7.6
234.11258	7.2
245.09224	7.2
245.15413	1.8
249.05937	2.4
259.08130	12.7
273.08621	2.7
279.07800	2.8
297.08591	3.0
319.11743	2.4
341.19510	2.9
343.09381	2.3
359.20511	1.9
361.10172	3.6
385.18484	3.2
389.09830	15.4
403.14783	2.0
403.19678	12.2
421.12433	6.4
421.22168	23.2
437.75061	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	421.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55241	1.3
51.52987	1.3
61.31722	1.3
69.03410	1.6
70.06589	3.0
72.08153	5.6
73.10268	1.3
75.64271	1.4
80.91238	1.5
81.03422	1.6
85.02917	13.5
97.02863	1.9
117.11739	1.3
118.41518	1.3
127.03980	1.8
130.06497	5.9
131.07283	6.3
143.07304	2.8
144.08118	9.8
154.06525	1.6
156.08022	2.3
159.06790	6.0
168.08038	2.1
169.07632	13.8
169.08830	2.8
170.08340	3.3
170.09639	3.4
171.09229	14.6
173.08337	6.9
175.08670	1.8
181.08824	2.9
182.09610	2.4
183.09099	1.6
185.08337	6.2
186.09134	5.6
194.09715	1.4
196.11250	30.8
197.08377	2.4
198.09064	11.8
210.09061	5.8
211.09895	3.0
211.12096	1.5
212.10715	10.1
216.10268	11.6
220.11133	2.1
222.09160	2.1
224.10669	13.9
228.10025	2.0
230.11687	5.8
237.10103	2.7
238.12199	6.8
239.11688	2.3
240.10117	3.3
242.11760	68.8
249.11307	9.9
250.10976	1.9
254.11787	1.8
256.13354	2.4
258.11267	18.8
259.14334	3.4
265.02548	1.6
266.11740	5.7
272.12799	8.4
283.14502	2.7
284.12823	71.1
301.15509	57.3
301.18927	1.8
323.87140	1.4
367.16379	2.1
378.15305	2.1
385.17526	7.2
386.16165	2.0
403.18823	13.0
404.17062	20.1
421.19614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17035	0.9
55.05519	0.8
58.49816	0.8
61.02936	1.2
62.86745	0.8
69.03430	1.4
70.06545	1.1
72.08146	1.6
81.03394	0.9
81.53857	0.8
85.02901	8.8
96.81293	0.8
97.02902	1.4
103.03938	1.1
109.02892	1.0
117.05724	0.8
120.08104	0.9
127.03881	0.9
130.06497	4.7
131.07312	5.1
132.08066	2.2
136.07590	0.9
143.07315	3.5
143.27306	0.9
144.08099	9.4
154.06592	1.0
156.08051	5.3
158.09662	1.3
159.06783	5.8
167.07283	1.1
168.08090	4.2
169.07605	15.5
169.08885	3.1
170.08356	5.0
170.09605	2.1
171.09172	14.9
172.07626	1.0
173.08405	6.5
174.09175	1.0
182.09686	4.0
184.07545	4.1
185.08313	8.2
186.09087	1.7
194.09615	1.2
195.10471	2.0
196.11200	20.4
197.08452	1.1
198.09134	10.3
208.11258	4.3
209.10725	0.9
210.09140	4.9
210.12801	1.0
211.09976	4.5
211.12141	2.3
212.10683	6.7
216.10214	12.5
220.11139	1.5
222.09119	3.9
224.10690	13.3
224.22275	1.1
226.12148	1.0
228.10188	1.3
230.11737	6.8
237.10229	4.6
238.12373	7.2
239.11824	1.3
240.10080	3.1
241.13300	2.2
242.09276	2.1
242.11757	65.1
251.11816	3.4
254.11700	1.6
256.13354	1.9
258.11234	18.1
259.14325	3.6
266.11719	2.2
272.12909	3.6
283.14340	2.2
284.12811	68.4
301.15469	48.9
326.24344	1.0
360.14227	2.1
378.15506	1.4
385.17587	4.5
386.16040	1.7
403.18704	9.9
404.17145	17.4
421.19662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17370	0.5
51.77161	0.5
55.05517	0.8
56.22709	0.5
57.03443	0.7
58.67983	0.5
68.97768	0.5
69.03430	5.2
69.07059	1.1
72.08161	1.0
79.05479	3.0
80.86172	0.5
81.03421	2.9
81.07075	4.2
83.04983	3.0
85.02917	0.6
87.00835	2.5
89.25839	0.6
91.05488	1.0
93.07038	2.2
95.04958	0.6
95.08636	1.8
97.02895	2.6
99.04473	1.0
105.07065	3.0
107.04958	5.1
107.08597	20.1
109.02897	5.2
109.06522	3.1
109.10154	4.4
117.06989	0.8
119.08572	2.7
121.06522	1.0
121.10161	9.5
122.07281	1.4
127.03923	11.7
131.08548	3.0
133.10139	100.0
135.08061	10.9
135.11691	1.1
137.09627	62.2
145.05006	0.8
145.10130	1.0
147.11659	1.3
148.41481	0.6
148.82149	0.6
149.09610	3.1
149.13277	9.8
155.19154	0.6
158.10938	0.8
161.19214	0.5
163.03870	1.4
163.14873	2.1
173.13257	8.5
191.14313	67.7
213.03976	3.7
231.05061	3.1
249.05429	0.6
263.07047	4.0
277.04935	0.6
291.06589	2.2
317.17590	0.7
335.18512	0.6
403.17252	4.4
403.87643	0.6
420.70593	0.6
421.18933	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	421.1287
Annotation	Artonol B
Peak:m/z	Relative Intensity
59.90011	0.7
69.07072	0.8
72.08163	1.1
81.07056	4.6
82.73364	0.8
83.79953	0.8
89.65477	0.9
91.05455	1.1
93.18031	0.8
95.08598	1.4
121.02863	5.1
131.04964	0.8
135.11679	1.0
137.13300	1.0
143.06953	0.9
145.02910	1.0
147.08078	1.3
159.07999	0.9
229.05202	0.9
253.04941	0.9
271.03171	0.9
271.06042	3.3
285.07703	0.9
289.18408	1.7
342.08960	0.8
343.09982	1.4
357.11365	1.3
370.08417	3.1
371.09174	77.5
372.09955	12.8
373.07166	5.0
377.10181	4.6
385.10635	2.9
388.09500	1.5
403.11786	100.0
421.12930	49.5
421.17941	1.7
421.22336	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1182
Annotation	Bismurrayaquinone A
Peak:m/z	Relative Intensity
57.03433	1.5
61.02931	0.3
69.03439	3.1
70.06596	0.7
71.05019	0.4
72.08160	0.6
73.02917	0.4
75.04520	0.5
77.52392	0.3
81.03413	2.2
81.07098	0.4
83.93345	0.3
86.09701	0.4
95.04973	0.5
99.04443	1.4
99.66699	0.3
105.07041	0.7
107.08615	0.4
119.08597	0.6
123.04424	1.4
125.06017	0.4
137.06007	0.4
161.13354	0.4
167.07016	2.5
171.10020	0.7
172.10385	0.4
179.07034	0.7
183.06587	2.6
189.76741	0.3
193.08624	0.6
205.12354	0.6
216.05919	2.1
224.13655	0.5
225.07605	0.7
233.11533	0.3
234.11258	1.7
244.05386	5.2
256.05389	2.3
286.05170	23.1
287.05984	50.5
299.05960	0.4
300.40887	0.4
329.07025	2.2
360.09955	0.7
377.21167	0.4
385.09738	1.5
403.10678	7.8
403.16489	0.6
421.11786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0929
Annotation	4'-Demethylknipholone
Peak:m/z	Relative Intensity
62.71205	0.7
67.05521	1.0
72.08137	0.9
92.64009	0.7
97.06553	0.7
101.65986	0.7
121.02886	17.1
135.08069	4.5
148.42296	0.7
163.03860	0.9
205.08655	1.2
209.11722	1.2
252.85132	0.7
258.47137	0.8
271.02432	1.0
344.06784	4.7
348.97601	0.7
360.06403	1.0
389.06522	6.4
421.09213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.3
60.21889	3.7
67.05519	6.7
71.08642	11.1
79.05517	9.4
81.03435	9.1
81.07045	9.5
83.08646	19.3
93.07048	6.6
95.04988	28.0
96.65319	4.6
97.10171	17.7
99.08089	7.6
107.08648	8.5
109.10223	9.5
111.04489	5.6
111.08098	5.1
121.10157	6.6
125.09648	10.4
127.49759	5.0
133.10216	4.7
135.11623	6.2
145.10205	8.7
149.09651	5.9
152.96455	4.1
163.11217	29.1
165.12794	5.1
189.11226	10.2
193.12262	18.8
195.13837	17.9
223.13443	5.9
240.61601	4.8
275.20081	23.6
293.21112	51.7
330.16843	5.4
345.49789	4.9
367.24811	73.7
385.25809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56141	0.8
56.87784	0.7
58.06608	1.1
69.07075	0.8
70.06585	1.6
72.08167	1.5
77.62897	0.8
77.84990	0.8
84.08144	1.1
85.07658	2.2
97.06523	6.9
113.07111	8.3
123.04431	1.3
125.53793	0.9
126.09172	1.9
127.08656	1.6
140.10728	1.8
141.10240	25.1
154.12273	56.6
155.11794	5.6
157.08553	1.0
160.07529	4.5
164.07057	4.0
166.08670	1.4
168.11320	8.4
183.14992	6.8
186.09135	8.9
187.09915	1.4
192.06546	2.0
197.13997	5.6
197.16527	5.3
207.11287	1.4
209.16455	6.6
218.08176	5.0
218.14189	1.7
235.10849	1.8
238.19208	6.7
247.10794	11.1
275.13895	60.0
292.16656	4.7
318.14487	17.6
337.22269	1.5
388.22287	37.8
420.24884	100.0
426.92618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.228
Annotation	MRE-269
Peak:m/z	Relative Intensity
58.44054	2.5
62.00006	2.8
63.30100	2.9
63.68890	2.6
81.30399	3.0
86.28710	2.7
106.50187	4.0
130.06512	3.2
131.07291	4.1
132.88733	2.9
168.08084	7.0
170.09671	18.3
174.11560	30.6
181.08859	19.5
182.09753	3.2
183.06773	7.4
196.11211	76.9
197.08386	4.0
198.09175	41.1
200.10797	4.2
208.74379	3.3
209.08192	3.5
212.10745	18.3
224.10721	57.8
363.17102	5.5
377.18613	6.3
389.18726	16.8
420.22791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61400	1.7
53.03963	3.2
55.01872	10.8
55.05509	3.6
57.03451	3.5
57.07077	3.6
61.02937	5.2
66.98923	2.5
67.05509	5.1
69.03439	33.5
69.07066	12.8
70.84746	2.0
71.05005	5.1
71.18410	2.3
73.02933	4.5
75.05432	2.2
79.05492	3.3
81.03432	21.5
81.06603	3.7
81.07064	75.7
83.08615	13.1
85.02908	100.0
87.00841	31.2
93.07055	5.3
95.08604	22.9
97.02897	29.6
99.04458	29.4
100.85675	2.1
105.01878	46.2
105.07069	2.5
107.08612	9.2
108.04464	3.6
109.02883	36.1
109.10166	3.7
111.04425	17.5
111.08072	3.4
111.11770	2.6
121.06462	2.5
121.10172	4.2
127.03919	64.3
129.01840	3.9
130.06512	10.8
131.08557	2.6
135.11707	5.5
137.13260	23.3
145.04955	20.1
151.07629	2.8
153.12779	4.8
155.14337	4.1
159.02835	22.0
163.03929	3.4
163.11218	4.5
165.12726	2.4
177.09108	3.9
181.12256	37.7
195.10147	4.2
199.13354	3.1
213.03972	2.7
231.05060	18.5
245.15509	3.3
249.06021	5.1
263.16504	3.6
266.44705	2.1
323.18488	2.4
331.39011	2.4
332.62241	2.4
349.16418	8.8
367.17548	3.8
402.22220	3.1
420.22379	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32521	2.0
59.56842	2.2
74.41693	2.2
75.79837	2.0
79.05511	2.9
81.07068	100.0
84.04507	15.8
85.02907	5.6
87.00834	3.4
92.18476	4.5
95.08595	11.2
98.05987	2.1
105.01881	5.1
108.04520	4.8
109.02885	2.8
113.21381	2.0
126.05512	36.9
127.03883	4.3
130.06548	5.7
137.13235	22.6
168.06624	9.6
170.07181	2.4
231.05089	2.9
290.08731	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
60.56730	1.4
60.61125	1.5
61.02945	1.9
69.03442	1.7
70.06594	11.5
71.08643	11.7
72.08159	11.4
84.08141	3.7
85.02917	34.2
86.09711	10.6
87.10031	1.7
88.11273	48.6
97.02894	9.1
107.04958	100.0
109.02905	3.4
111.70525	1.5
124.07586	8.9
127.03922	3.4
133.06502	29.0
145.04944	3.4
154.08615	2.0
159.04385	1.6
161.05978	94.4
164.14345	1.5
172.09717	11.4
177.05484	30.9
187.03918	2.1
191.07016	2.2
195.02052	1.5
195.06544	75.4
195.08255	3.2
205.04965	73.5
219.01791	3.1
223.06036	47.9
241.07077	78.0
258.09845	2.1
321.08618	8.0
322.21393	3.4
420.12079	42.2
420.21683	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	420.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24495	0.1
55.01869	0.2
60.04527	0.1
69.03424	0.7
70.06595	0.2
72.08157	0.5
72.42551	0.1
76.92287	0.1
81.03416	0.8
84.06117	0.1
84.08151	0.2
85.02914	2.7
87.00828	0.6
88.25870	0.1
94.04188	0.2
97.02886	1.3
98.06050	0.2
99.04456	0.8
105.01854	1.0
106.30115	0.1
108.04484	0.3
109.02898	1.3
122.03652	1.2
126.05566	0.2
127.03934	1.8
128.25014	0.1
129.01852	0.2
137.05989	100.0
145.04994	0.6
157.06532	0.1
159.01733	0.1
159.02888	1.0
163.03943	0.2
173.08385	0.8
176.08133	0.1
177.05501	0.3
177.81667	0.1
230.42813	0.1
245.08130	0.5
248.07780	0.2
316.08878	0.2
325.36789	0.1
393.51782	0.1
420.15021	0.1
420.20560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85012	0.2
54.03173	0.2
55.01877	0.2
55.05498	0.2
59.92367	0.2
62.13347	0.2
69.03419	0.4
70.06586	1.2
71.04962	0.2
71.30737	0.2
72.08162	1.3
79.05526	0.3
81.03429	0.4
81.07079	0.3
84.04496	0.2
84.08147	1.1
84.24797	0.2
85.02918	2.2
86.09704	1.1
87.00856	0.2
92.18583	0.2
93.07026	0.3
94.04222	0.3
97.02888	0.9
97.70617	0.2
98.06062	0.2
105.01873	1.2
106.47596	0.2
109.02877	0.9
109.06513	0.2
122.03647	1.2
125.09643	0.4
126.09165	1.0
127.03921	2.1
127.07559	0.4
129.10214	0.3
132.06569	1.6
137.05986	100.0
142.94550	0.2
145.04967	1.2
154.08617	4.0
155.07031	4.8
159.02899	0.4
172.09682	2.4
177.61676	0.2
202.62128	0.2
205.08740	0.2
231.05052	1.1
232.99579	0.3
236.14981	0.9
249.06151	0.4
284.09711	3.0
337.55734	0.2
339.14328	0.2
361.02213	0.4
379.03308	0.2
396.30704	0.3
402.13971	0.3
420.08929	0.4
420.15048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63561	1.7
55.05501	2.1
58.54350	1.6
63.79076	1.8
69.03438	2.7
70.06592	10.8
72.08163	24.9
79.05504	3.4
81.03417	2.7
84.05605	2.5
84.08155	2.0
85.02905	3.5
86.09718	2.3
86.63324	1.7
87.04436	2.0
88.19470	1.8
89.10859	2.1
91.05448	2.5
95.04962	1.7
98.06059	4.5
101.71541	1.5
105.07029	14.9
107.04964	100.0
108.44795	1.6
111.62032	2.1
115.05476	1.9
115.08664	2.9
117.07066	2.4
119.05070	1.7
121.02856	2.0
121.06483	4.7
122.02722	1.9
122.09615	2.2
123.04436	11.7
129.06992	2.3
131.04947	11.3
131.08527	2.2
133.06514	50.3
135.04379	3.7
136.84364	1.7
137.06004	16.6
145.06519	20.3
147.04404	2.6
147.08075	10.5
149.05968	3.9
151.02110	2.3
151.07576	2.4
157.06491	9.4
159.08035	16.7
161.05963	3.9
163.02162	2.5
163.03941	8.3
171.08038	11.8
171.99364	2.9
175.07535	3.1
181.06432	2.0
183.08078	3.1
193.08557	2.4
195.08011	2.8
205.08716	13.0
209.09712	2.3
211.07521	7.6
221.09615	4.3
235.11317	2.4
237.09096	3.4
239.10689	10.9
251.10764	7.5
253.12338	2.6
263.10681	10.4
270.07986	2.7
281.11707	16.3
299.12787	11.9
309.58102	1.8
420.17569	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	420.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36206	0.6
51.07396	0.5
52.17737	0.7
56.05038	1.1
57.04569	0.7
60.05653	0.5
70.06600	0.8
81.41396	0.6
82.73291	0.7
84.05634	100.0
85.06414	20.4
96.05606	2.7
98.07183	2.5
105.70412	0.7
107.04943	0.8
112.08735	2.7
125.77563	0.6
143.06879	0.9
151.22166	0.7
221.08029	4.9
231.06403	0.7
235.09584	0.8
240.07722	1.1
243.06590	1.5
258.11429	0.8
273.11285	4.0
283.10715	3.7
284.09872	0.7
290.97885	0.7
299.12631	1.0
342.11057	1.0
344.12454	1.5
388.11371	5.3
420.14017	93.0
428.07306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58169	0.5
57.04558	0.8
62.17896	0.5
76.34505	0.6
84.05635	86.3
84.08147	1.5
85.06412	20.5
87.20109	0.7
96.05613	3.3
98.07168	2.6
105.07015	1.4
107.04911	0.6
112.08709	3.1
127.12299	0.8
130.24826	0.7
144.08057	0.6
159.08069	0.6
170.09637	4.2
170.11778	0.7
171.10036	6.2
172.10703	0.9
187.14421	3.0
202.14560	0.7
205.08719	0.7
209.61580	0.7
221.08011	5.6
234.11238	3.2
240.07678	0.7
258.08865	1.1
273.11075	2.4
283.10623	0.7
284.10419	0.9
322.20145	0.7
324.10007	0.8
324.77319	0.6
344.12610	0.9
388.11469	0.8
420.14001	100.0
420.21771	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	420.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
60.39023	0.2
61.02925	0.5
69.03430	1.2
71.08633	0.5
72.08150	0.3
73.02937	0.3
74.00660	0.3
81.03432	0.4
83.39999	0.2
85.02914	6.6
85.03410	0.4
88.11273	3.2
97.02895	2.4
98.98466	0.3
99.04499	0.4
107.04972	0.5
109.02892	0.5
120.01148	0.3
127.03929	1.3
135.04393	0.2
136.05287	0.3
137.06093	0.3
141.03708	1.0
145.04964	0.3
147.89883	0.3
169.03188	100.0
191.07047	1.2
211.04285	0.3
241.05284	3.1
258.07959	30.4
321.08536	0.4
402.12250	0.3
420.12778	3.0
420.17749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02921	0.9
85.02917	1.6
87.02630	1.0
94.83739	0.9
97.72550	1.0
102.16738	1.0
112.45824	1.0
113.61219	0.9
131.50340	1.2
346.05243	1.1
420.12640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32703	7.2
53.88403	6.6
55.05524	11.3
57.07071	46.9
62.85743	8.7
63.09271	8.4
67.05505	42.1
69.07067	42.5
69.29723	7.4
71.08657	11.3
79.05494	16.4
81.07063	62.4
83.08616	9.8
93.07049	46.6
95.08606	55.0
97.10204	8.8
105.07004	16.6
107.08603	32.4
109.10188	14.6
114.29662	8.7
118.32601	7.8
121.10185	17.1
127.11212	11.4
131.08582	8.2
135.11705	34.0
165.08676	8.4
221.25476	9.0
247.13512	8.4
329.28461	9.8
347.29507	98.4
355.17902	7.7
365.30469	100.0
375.74527	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	419.2771
Annotation	Simvastatin
Peak:m/z	Relative Intensity
70.11338	1.8
72.15736	2.0
78.22305	2.2
92.17747	2.2
100.53143	2.3
150.52318	1.9
419.27713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34173	1.2
53.59669	1.2
92.18446	2.1
96.42388	1.5
105.74626	1.4
120.05760	1.4
201.73782	1.6
224.87518	1.3
321.43652	1.6
419.27753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59792	0.1
52.16053	0.1
55.85062	0.1
58.06588	0.7
63.47776	0.1
64.37791	0.1
72.08167	0.2
81.03415	0.3
81.07060	0.2
85.02879	0.7
91.05498	0.1
93.07021	0.2
95.08595	0.2
97.02883	0.3
105.07015	0.2
127.03930	0.2
127.22588	0.1
128.07033	0.2
133.06480	0.3
134.16313	0.2
144.08093	25.7
145.08910	1.1
146.98332	0.2
148.88545	0.2
153.12715	0.6
158.09628	1.6
159.10390	0.3
161.06041	0.2
166.04065	0.2
167.07011	0.3
170.09650	100.0
171.10425	31.7
171.13600	0.6
172.11237	0.2
184.94496	0.2
186.11543	0.2
187.12340	0.8
193.08629	0.3
201.13890	4.9
202.14655	32.5
203.15442	0.4
242.54320	0.2
419.25418	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26494	0.3
58.06602	0.7
75.18887	0.3
85.73345	0.4
113.15877	0.4
121.21722	0.3
133.03955	0.4
144.08089	24.6
145.08855	0.7
158.09662	2.0
169.09947	0.4
170.09648	100.0
171.10426	33.3
174.22696	0.4
201.13870	4.7
202.14655	29.2
273.49225	0.3
367.47049	0.4
395.76395	0.4
419.25415	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.5
65.12862	0.4
65.42041	0.4
95.49878	0.5
110.07127	0.5
144.06960	0.9
144.08089	25.2
145.08888	1.1
158.09631	1.1
165.75536	0.5
169.29135	0.5
170.09644	100.0
171.10423	36.0
201.13889	4.5
202.14644	35.0
275.78378	0.5
327.70282	0.5
419.25415	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04360	0.4
58.06591	0.6
61.94025	0.3
63.69506	0.3
70.28189	0.3
72.08118	0.5
85.87177	0.4
144.08087	25.5
145.08849	0.8
158.09578	0.6
170.09647	100.0
171.10423	27.6
187.12370	0.8
201.13828	4.1
202.14658	24.1
245.97868	0.4
419.21725	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.4
63.63686	0.2
99.45562	0.3
110.46053	0.2
144.08092	24.1
145.08736	0.4
158.09663	1.7
161.05946	0.5
170.09648	100.0
171.10423	33.9
172.10257	0.3
187.12344	0.4
193.08582	0.2
201.13881	5.2
202.14656	34.4
282.45715	0.3
304.99850	0.3
328.09680	0.3
408.38647	0.3
409.38474	0.3
419.25430	87.3
438.59384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29190	0.4
52.29614	0.4
54.59812	0.4
75.72092	0.4
76.17358	0.4
78.30263	0.4
144.08084	28.2
145.08844	1.0
158.09665	1.9
159.10442	0.6
163.83504	0.4
167.07028	3.0
170.09639	100.0
171.10426	27.4
171.11896	1.0
173.05957	0.7
181.04971	0.9
201.13849	4.0
202.14648	21.1
269.08237	0.5
309.08133	0.5
315.08667	4.0
318.46567	0.5
330.11008	3.0
331.11450	0.5
343.11847	0.6
361.72845	0.5
361.97873	0.4
383.14899	2.2
392.38989	0.4
401.16260	1.1
413.15134	0.5
419.21762	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	419.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07061	1.9
76.57843	1.8
95.08606	3.3
107.08646	2.4
116.98481	4.3
128.92978	2.5
131.00032	12.3
135.08076	2.7
139.40663	1.9
143.00082	6.5
145.01595	4.8
148.97447	2.0
157.01579	13.7
158.95831	2.5
158.99474	4.6
159.03207	3.2
161.01053	8.5
167.03680	10.2
169.01581	3.1
169.05295	2.4
170.99550	2.3
171.03079	8.6
173.01050	19.6
174.99078	3.4
175.02600	3.2
176.96951	18.0
177.00636	3.0
181.05214	11.4
182.99518	12.4
183.03146	4.0
185.01097	10.6
185.04770	2.0
186.98982	3.8
187.02615	12.6
189.00589	25.3
191.02115	2.6
194.99518	7.4
195.06921	3.1
197.01160	8.7
197.04762	9.3
198.32750	1.9
198.98923	18.9
199.02655	3.8
199.06184	4.3
201.00551	13.3
203.02147	33.5
205.00044	3.2
207.06905	2.0
209.01074	15.7
211.02757	3.9
211.06526	2.4
213.00517	19.9
215.02133	23.1
217.00114	4.6
217.03708	14.2
219.35101	2.1
223.02655	11.0
227.02142	22.2
229.03717	13.9
233.03137	12.5
237.04179	15.0
241.03688	14.3
246.88881	2.1
251.05844	3.0
255.05254	7.5
265.07269	7.8
269.06805	3.4
303.14948	4.6
307.11978	26.7
329.16162	7.5
339.14673	100.0
357.15674	65.4
359.17169	32.8
380.17358	7.8
419.19467	14.8
419.24603	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	419.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64871	1.0
58.53585	1.1
70.06570	1.4
72.08150	4.1
72.49696	1.2
74.06041	1.0
78.60084	1.2
79.05513	1.9
79.09141	1.1
81.03414	5.5
83.16591	1.2
84.05642	1.7
85.59109	1.2
86.09702	1.9
93.58267	1.2
95.04974	1.2
98.12359	1.1
107.04948	23.8
117.07008	7.5
120.04465	1.5
124.05235	2.4
129.07021	1.9
131.08556	5.1
133.06520	1.6
145.06476	24.3
155.05908	1.4
159.08023	10.8
161.05983	2.6
163.03886	1.8
167.07031	72.2
173.05983	34.4
175.07500	1.9
179.07024	1.3
181.04955	1.8
184.05214	1.2
187.07568	8.0
190.06236	13.7
193.08595	2.5
202.06242	1.9
203.07089	2.4
205.06657	1.6
205.08604	44.3
205.10423	2.2
207.06528	2.2
217.08571	37.2
219.08063	6.1
219.10179	5.0
231.07985	2.6
235.09708	6.7
235.37691	1.3
245.09726	2.0
247.07524	2.5
247.09665	9.5
248.08357	7.1
255.11714	1.8
259.07657	1.2
261.09195	2.6
262.09818	2.1
263.10663	7.5
264.07986	2.4
265.08212	1.4
265.10712	6.2
269.08075	8.9
271.09680	5.1
275.06906	1.8
276.07825	5.4
277.08435	1.8
279.10165	5.2
282.08832	2.6
287.09152	1.4
290.09357	2.7
291.10129	6.2
292.11224	1.4
293.08157	2.6
299.09363	2.0
300.06207	1.7
305.08188	1.4
307.09619	6.2
308.10422	6.0
309.07712	1.2
310.08414	6.7
311.12704	1.2
315.08618	100.0
318.08881	1.9
319.09656	2.3
321.07544	2.8
323.09396	1.8
323.12906	6.8
328.09497	5.3
330.10950	89.9
331.11679	4.9
336.10123	1.5
337.10730	2.8
339.12320	5.7
343.11624	12.2
350.11356	1.5
351.12344	15.1
352.13058	2.0
353.10074	5.4
356.12439	1.5
368.12567	5.6
369.13235	12.6
371.14886	6.5
383.14856	47.4
401.16019	36.9
419.16153	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	419.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55703	2.2
52.02319	2.4
54.55617	2.2
61.69830	2.3
70.06580	4.8
71.27271	2.7
72.08153	6.3
79.05516	4.4
81.03413	5.3
84.08141	3.3
84.98029	2.9
93.56084	3.2
103.05489	3.3
105.07045	24.0
107.04957	12.2
115.08721	3.2
117.07002	4.2
121.25142	2.7
133.06523	19.8
133.08200	2.8
135.08029	3.5
137.06017	6.9
144.08188	4.4
145.06508	15.8
159.08044	5.6
163.03877	5.1
165.09106	11.7
167.07016	54.2
173.05957	23.7
177.05437	4.4
181.04993	15.3
190.06267	5.5
193.08601	100.0
195.10208	4.3
203.07088	4.4
205.08641	38.9
217.08646	25.5
225.07527	11.1
235.09521	5.2
236.15067	6.7
237.15280	12.1
269.07953	4.6
287.94507	3.5
291.09674	2.9
293.08060	3.2
315.08658	52.6
323.12576	4.7
330.11005	43.8
383.14981	13.6
392.18323	3.4
401.15967	14.1
419.19516	10.2
419.24557	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1341
Annotation	Actofunicone
Peak:m/z	Relative Intensity
51.72499	0.9
52.46938	0.9
53.83761	0.9
63.72433	1.4
66.95074	1.3
67.05547	1.0
68.99796	9.7
71.01405	1.2
72.08148	2.4
72.58766	1.1
79.05492	2.5
80.59711	1.2
81.07064	1.2
91.05468	12.6
95.04978	1.7
106.42982	1.1
107.04999	6.8
107.08568	1.5
111.04478	1.2
117.03394	1.4
119.04983	4.6
121.06483	2.4
123.04485	1.9
125.06030	2.1
133.06482	1.2
135.04416	12.8
147.04448	6.0
149.06027	2.0
150.06790	1.9
151.03917	45.2
153.05470	8.9
156.59380	1.3
161.06094	1.5
162.03099	1.9
163.03906	27.1
167.07089	6.2
177.05557	5.3
178.06221	20.6
180.04170	9.5
181.05014	2.4
195.06555	24.6
196.07321	11.4
219.06523	8.0
223.06023	100.0
224.06783	2.2
419.13147	1.4
419.23349	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	419.113
Annotation	8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
54.57238	0.2
63.35477	0.2
65.03930	0.2
70.11942	0.2
81.07038	0.3
87.02834	0.2
87.51859	0.2
91.22774	0.2
93.07052	0.2
95.08599	0.4
111.04488	0.2
121.02867	32.8
159.08177	0.3
163.03850	0.5
163.07573	1.2
167.07088	0.4
181.04930	0.3
186.85393	0.2
187.07535	0.4
227.03444	0.3
241.04924	0.3
242.05797	0.4
259.05978	1.3
268.03543	0.3
268.34100	0.2
269.04437	1.3
284.06851	1.1
285.36526	0.2
286.04709	1.3
301.07065	2.0
335.09204	1.0
344.06683	0.5
345.07355	0.3
350.65582	0.3
355.57529	0.3
359.09164	1.0
377.10211	7.1
387.08627	9.2
404.09229	0.3
419.11246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74379	0.9
57.30463	0.7
57.40453	0.7
84.08149	1.1
86.09704	1.2
100.07623	18.6
110.09718	1.7
114.91768	0.9
117.03330	3.4
118.27493	0.9
122.11818	1.0
126.12797	75.1
140.14363	12.2
145.02853	40.8
149.05969	1.1
154.12289	1.4
163.03914	4.9
169.13411	1.5
171.14984	7.7
171.16202	0.9
177.05470	99.5
214.20271	1.1
224.21266	5.7
242.22246	12.6
248.12976	1.3
418.27020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72164	0.5
62.04628	0.6
66.66605	0.7
67.05481	0.6
70.06600	3.6
70.74904	0.6
72.08167	4.8
74.06097	1.1
81.07059	0.8
81.72050	0.6
84.08124	2.7
86.09729	1.5
89.58495	0.6
93.07049	0.7
98.06056	0.7
100.07620	28.4
109.10172	0.8
110.09664	1.3
115.31992	0.6
115.59992	0.6
117.03383	3.9
125.67271	0.7
126.12798	100.0
130.04982	2.5
132.01077	0.9
145.02859	30.3
149.06003	1.1
154.12274	3.1
167.07016	1.1
169.13380	3.0
171.14958	10.8
177.05476	68.7
183.18590	1.1
224.21175	2.7
225.19624	9.8
238.12224	0.8
241.13118	0.8
242.22281	30.2
359.11362	0.9
409.18912	1.1
418.27048	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03829	0.4
50.78871	0.4
54.21341	0.4
55.21160	0.4
59.99134	0.9
63.41895	0.5
65.89689	0.4
66.05754	0.4
72.04520	26.5
82.82292	0.5
83.36108	0.4
88.02236	1.8
100.07623	100.0
116.05321	6.6
123.21637	0.5
158.09648	39.6
170.09636	20.8
170.11081	0.8
190.06880	2.1
201.13846	6.4
202.06755	1.1
204.08397	2.6
204.42421	0.5
230.10133	0.8
233.11043	5.7
275.12100	5.8
332.17911	1.1
333.18668	13.3
333.22586	0.6
418.25226	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	418.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15317	0.7
55.05531	1.2
56.88465	0.5
69.03439	0.7
70.06596	18.0
72.08160	14.5
79.05512	1.0
80.05062	1.0
81.03425	1.0
84.04510	1.0
84.08157	4.1
86.09710	2.9
87.07980	1.0
89.10815	0.8
90.73026	0.6
95.04998	0.8
98.06097	1.3
98.09718	0.8
101.86222	0.8
109.02937	0.8
112.11264	0.9
114.10313	5.8
115.08697	1.3
121.06530	0.9
121.45811	0.6
123.04450	2.9
124.38419	0.7
127.03891	0.9
127.12285	0.7
129.10225	1.0
130.05019	0.9
130.12265	0.8
131.12936	1.4
135.90010	0.7
145.02904	1.6
149.05977	1.1
150.77606	0.7
152.07106	2.8
155.11841	1.3
157.10892	2.8
158.84669	0.7
163.03897	14.7
164.04250	1.2
177.05589	1.0
185.09462	0.7
185.14059	1.3
193.05002	0.9
200.07147	2.8
200.95088	0.8
201.07869	1.0
214.08636	42.9
218.08186	1.0
220.09735	1.1
222.11293	0.9
228.10159	5.5
233.10471	7.4
234.11235	6.7
244.09764	5.2
256.09692	16.7
267.09564	0.7
270.11389	4.1
288.12299	11.1
327.17230	0.9
344.19693	19.6
344.23807	0.8
357.19238	1.4
359.11444	1.2
366.30215	0.7
369.19214	66.1
374.21954	11.1
377.12537	1.4
386.21945	0.8
401.21738	5.0
416.25372	0.8
418.08704	1.6
418.20444	8.2
418.24719	100.0
418.68323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
57.68429	0.5
58.06604	16.7
59.07386	5.4
60.08168	5.5
67.05499	0.8
69.03435	0.7
72.08131	0.6
78.94613	0.5
80.96277	0.5
82.33401	0.5
83.91969	0.5
84.08170	0.5
85.02897	1.2
87.04458	2.3
87.56841	0.5
91.05497	1.1
93.07007	1.3
95.08611	7.6
109.10157	4.1
113.06013	2.2
119.08572	3.7
131.07040	0.8
137.09610	7.3
144.10204	13.8
162.11252	3.1
164.15341	0.5
167.07069	1.2
191.54268	0.5
218.13895	0.6
236.14922	84.9
239.12662	1.8
346.16321	0.5
354.10245	0.5
382.22247	4.3
400.23303	26.1
411.67889	0.5
418.24359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2437
Annotation	Mycalamide C
Peak:m/z	Relative Intensity
57.03406	2.2
57.03666	0.4
58.06603	9.3
59.07380	3.4
60.08176	4.2
64.29914	0.4
65.35666	0.5
67.05462	1.7
69.03381	0.6
70.06562	0.4
71.98650	0.4
72.08109	0.6
72.71215	0.4
74.29730	0.4
75.04462	1.0
77.09070	0.4
79.05475	0.7
81.03406	0.4
81.07024	0.7
84.08145	0.5
85.02863	2.2
87.04453	1.0
92.18476	0.6
93.05488	0.5
93.07014	1.8
95.08606	4.3
105.01817	0.6
107.08562	0.6
109.10115	2.8
113.05958	1.0
119.08513	2.2
119.69137	0.5
122.06006	0.9
123.11623	0.4
127.03854	0.6
131.07013	1.0
137.09598	4.4
141.47641	0.5
144.08136	0.5
144.09259	0.5
144.10205	9.5
155.83174	0.4
162.11278	4.8
164.07010	0.8
167.07014	2.5
168.07368	2.5
170.09616	2.1
171.10405	0.5
181.04919	0.4
197.07054	0.6
225.06593	1.9
236.14915	100.0
266.14273	0.4
271.07135	0.8
285.08731	1.6
295.07190	0.6
313.07977	0.7
326.16028	5.4
344.17258	0.6
382.22275	1.8
400.11624	0.4
400.18909	0.7
400.23450	14.4
418.12122	4.8
418.24429	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15557	1.3
52.30260	1.4
57.07080	6.2
61.44718	1.3
71.04994	11.7
81.18452	1.5
83.04994	18.7
101.06007	9.4
116.63654	1.5
117.46302	1.6
119.08618	1.8
138.53023	1.8
161.25470	1.6
175.01558	77.7
184.07263	1.8
213.55208	2.0
227.04752	8.3
231.07806	14.2
275.06775	16.7
331.13031	76.6
387.19305	100.0
418.23752	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93234	1.1
53.58340	1.1
59.28687	1.2
67.05497	1.4
71.05026	1.5
86.09710	100.0
88.04013	1.8
95.04958	1.4
96.08076	1.2
99.08090	1.3
110.06051	1.8
112.07574	1.3
116.07027	1.2
118.06473	1.6
124.07604	5.7
132.08122	2.0
134.06030	18.0
135.06844	1.9
136.07542	4.5
138.05479	1.3
140.20757	1.2
142.08653	22.1
143.04521	14.4
146.06020	5.6
157.10219	1.4
160.07597	6.6
162.05399	1.3
167.07034	1.7
170.08138	5.0
172.07626	1.8
174.05492	10.3
174.12747	2.5
175.06918	1.1
180.13701	1.2
180.92369	1.1
185.09616	5.0
188.07045	1.3
190.12247	4.5
199.10739	2.7
202.12250	37.0
204.78749	1.2
212.10747	2.4
229.13376	4.6
230.11731	13.6
255.17036	12.5
283.16534	16.4
305.14978	27.8
390.23901	29.1
418.23364	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	418.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.7
62.06072	0.6
62.61267	0.5
64.50072	0.5
70.06588	0.6
72.08166	0.8
86.09724	0.6
138.85910	0.5
160.07568	35.9
170.09641	3.6
174.09132	1.3
186.09140	100.0
187.08212	1.1
187.09921	34.2
217.13379	5.1
218.14148	25.8
308.70914	0.5
418.23376	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
82.40780	0.5
97.57073	0.4
106.79666	0.5
152.84959	0.5
160.07584	33.3
161.08392	0.7
170.09636	0.9
174.09126	0.9
186.09143	100.0
187.09926	34.4
217.13374	4.7
218.14145	25.4
225.12117	0.5
268.98572	0.5
418.23352	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88657	0.5
65.96671	0.6
70.35123	0.6
72.08159	1.2
137.05959	0.8
144.08093	81.3
145.06505	0.6
145.08861	3.2
148.07578	1.1
158.09686	2.7
161.06026	2.1
164.07040	1.2
167.07050	7.8
168.07349	3.3
170.09642	77.5
171.10428	15.5
172.09996	0.7
173.05966	3.0
173.10779	1.0
174.06346	3.5
181.05017	1.2
182.05350	0.7
183.12289	0.6
184.07835	0.7
187.12282	9.8
188.13089	28.4
193.08644	1.0
217.08594	1.0
224.10687	4.3
230.08502	0.7
233.08070	2.2
234.08513	1.4
269.16443	2.8
287.17542	2.2
349.64557	0.7
351.71246	0.6
418.16107	6.0
418.21573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.05525	0.8
60.04519	3.3
61.02936	1.2
67.05506	1.2
69.07078	13.4
75.48090	0.6
79.05482	1.9
80.05010	1.8
81.03439	1.8
81.07059	0.9
84.04510	49.0
84.08163	0.7
85.02897	4.7
87.00820	1.5
93.07053	10.3
96.04479	1.0
97.02912	1.2
98.06048	11.2
99.04484	0.8
105.01875	1.6
107.08588	12.3
108.04494	15.5
109.02874	7.4
109.10129	0.9
109.88142	0.7
113.84012	0.8
124.03946	1.3
126.05515	100.0
127.03929	4.0
129.01855	4.4
131.04933	4.9
131.08566	0.8
135.11699	17.7
138.05505	3.8
144.06572	1.2
145.04984	1.0
150.05492	1.4
158.60962	0.7
159.02893	0.9
167.07021	2.7
168.06516	26.9
168.07755	1.2
186.07690	3.5
206.64621	0.9
212.05513	0.9
230.06432	0.8
231.64474	0.8
242.71904	0.9
254.06476	2.7
266.02267	0.7
272.07642	13.2
290.08707	49.4
291.69952	0.7
349.68619	1.3
400.19537	1.0
400.26794	0.8
408.19412	1.2
418.15225	1.6
418.23221	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	418.1993
Annotation	Mygalin
Peak:m/z	Relative Intensity
56.05032	1.6
61.33309	0.7
67.05492	4.1
69.07076	1.1
70.06585	1.5
74.97401	0.7
78.18657	0.8
79.05521	6.1
80.05044	6.6
81.07063	4.9
82.06584	14.1
83.04961	0.8
84.08127	0.9
86.65312	0.9
87.13317	0.8
91.05488	6.0
93.07056	10.3
94.06554	2.0
95.04978	0.9
95.08582	4.1
96.08150	1.0
97.06562	1.3
98.06042	1.5
98.98463	3.3
100.07611	5.1
105.07036	3.4
106.06529	0.8
107.08590	1.5
108.08123	3.5
109.10159	1.0
110.09678	1.4
117.06993	2.0
119.08561	7.7
120.98708	0.9
121.10141	1.9
122.09690	1.3
123.08057	0.9
124.01576	1.5
129.04645	0.9
131.08545	4.7
133.10118	3.0
134.09694	1.0
145.08708	1.0
145.10085	2.0
147.11642	1.3
148.11230	1.2
151.59521	0.8
155.01045	0.9
159.11732	1.6
161.13266	0.9
162.12798	3.8
183.71230	1.0
185.13300	4.0
203.14348	1.0
246.18530	14.0
264.19510	11.1
282.20627	0.9
320.22217	2.0
338.23175	1.4
344.16235	1.6
362.17392	2.0
400.18915	20.1
418.19904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08839	1.5
53.37894	1.5
55.01875	3.9
57.03455	2.6
61.02913	2.8
68.41407	1.7
69.03436	26.4
70.06589	2.1
71.05001	2.3
72.08145	8.3
73.02906	3.6
79.05518	2.4
81.03410	16.5
85.02418	4.1
85.02913	100.0
87.00837	32.3
93.07015	2.4
95.17548	1.8
97.02903	29.9
99.04455	13.4
102.64812	1.8
105.01875	59.6
105.07050	2.4
108.04488	3.6
109.02878	25.4
127.03922	66.6
129.01820	3.0
132.97717	1.9
135.08063	75.8
144.08112	2.2
145.04959	23.2
159.02890	17.0
163.03880	4.3
167.07051	10.7
168.07385	11.9
170.09622	7.7
171.10054	2.4
174.06209	2.1
177.09143	11.2
181.04857	6.8
182.05257	2.7
195.10173	2.2
218.08974	1.9
219.10207	3.6
231.04976	22.0
243.10170	6.9
249.06079	11.6
261.11179	7.9
338.52643	2.2
347.11349	9.4
359.11395	11.4
365.12286	4.0
383.12866	2.3
410.25879	3.6
418.16742	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	418.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.5
70.06607	4.6
72.08147	2.8
78.23827	0.5
84.08111	0.9
86.09723	0.5
86.11716	0.5
87.48171	0.5
108.08112	3.0
111.92010	0.5
114.10340	0.5
120.08100	0.5
122.06031	1.1
133.07623	13.1
134.06082	0.9
136.07568	3.2
147.09181	2.9
148.07526	2.5
149.07108	0.8
149.10724	1.9
151.08675	1.1
154.08585	2.0
160.07607	4.2
163.03946	1.1
164.07019	1.1
166.08583	0.6
175.08672	34.7
182.08153	6.1
186.09166	9.9
187.09898	2.4
191.08203	0.8
193.09731	35.1
194.10391	0.5
209.09230	0.8
218.14111	2.5
219.07637	29.7
234.98906	1.0
235.10832	2.5
237.08694	100.0
255.09758	6.4
323.75452	0.5
356.16013	1.1
374.17062	4.4
400.14859	2.8
418.16037	52.7
418.24121	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	418.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.13418	0.4
57.03418	0.3
67.05511	0.8
69.03437	4.9
70.81628	0.3
73.02911	0.8
75.67381	0.4
78.90801	0.3
81.03436	3.8
85.02903	4.9
87.00825	0.4
92.05003	0.9
96.08125	2.7
97.02901	3.2
99.04441	1.5
106.06566	20.7
108.08125	96.1
109.02900	4.4
109.05237	0.5
109.36568	0.4
115.19991	0.4
117.01769	0.4
123.06798	3.9
124.07592	19.1
127.03905	5.9
134.06012	12.2
136.06543	0.6
136.07582	18.0
137.08273	0.7
140.22021	0.4
145.04984	0.7
148.07584	0.6
152.07069	89.9
153.07825	0.8
154.08646	0.6
164.07138	0.4
170.08122	13.9
176.07031	0.8
194.08203	1.6
314.12317	2.4
332.13400	2.3
338.12463	0.5
343.56476	0.5
356.13419	4.0
374.14435	10.4
382.11246	0.5
400.12372	6.7
418.13446	100.0
425.90799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2617
Annotation	(-)-S 15183a
Peak:m/z	Relative Intensity
62.92268	0.7
71.44952	0.8
130.21138	0.8
154.62215	1.3
154.83923	1.0
214.23506	0.8
221.40619	1.0
263.23474	0.9
335.18735	0.9
417.26147	100.0
437.75452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19399	4.2
67.05498	21.3
69.88914	4.7
81.07054	32.0
86.34174	4.5
93.07049	8.7
95.08607	25.1
98.98478	37.3
107.08582	7.8
109.10116	18.1
116.07107	8.9
121.10144	7.1
123.11712	10.9
142.48514	4.7
147.04372	5.9
155.01035	50.2
177.96234	5.1
187.34177	4.6
198.59187	4.8
263.23737	38.3
317.18011	10.4
335.18896	49.6
353.20007	9.5
382.00967	5.1
417.26169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76570	1.5
56.47439	1.4
57.03434	3.5
61.02909	6.8
63.34690	1.7
64.38435	1.5
69.03440	25.9
69.51495	1.4
70.06276	1.4
70.06595	20.1
71.04972	9.3
72.08160	59.6
73.02922	2.2
75.04453	2.1
79.45518	1.6
81.03416	6.1
84.04482	3.8
84.08171	13.0
85.02436	2.4
85.02916	64.0
85.06573	2.6
86.09719	17.9
87.04451	5.8
89.20347	1.5
91.03947	6.0
93.07014	2.5
95.04936	9.2
95.08616	1.9
97.02906	25.0
98.06069	2.6
99.04445	3.8
107.04899	1.6
107.08574	8.2
109.02843	10.3
109.10139	3.6
119.08547	10.2
121.02851	1.9
121.10091	8.2
123.08066	15.0
127.03894	19.5
129.10208	7.2
130.04959	1.8
130.08578	2.2
131.08510	3.1
133.10114	12.1
135.08057	3.3
135.11694	13.2
137.09579	3.3
143.11813	15.0
145.04942	9.0
145.10075	2.5
148.06041	6.2
149.09566	2.5
151.03859	1.9
151.07545	65.6
151.11137	6.5
159.11641	3.9
161.09596	28.7
163.11169	28.9
165.09076	2.4
167.06973	2.9
171.11227	9.9
172.04227	9.3
173.13179	7.3
177.12737	47.4
179.10634	2.5
181.12166	9.4
191.14313	18.0
201.12589	3.9
215.13860	1.8
219.13835	38.0
237.14856	83.1
247.12943	16.5
255.15862	15.6
260.30258	1.9
270.18204	6.4
276.05029	1.7
301.10785	2.8
373.14383	2.1
417.07727	12.4
417.13519	8.1
417.21039	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98251	0.4
55.83904	0.3
84.23531	0.4
144.08092	27.6
158.09644	0.6
170.09642	100.0
171.10419	23.5
201.13805	3.7
202.14658	18.8
245.84004	0.4
351.63922	0.4
417.20206	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	0.4
68.31291	0.2
70.06578	0.3
85.77769	0.2
86.09708	0.2
93.41631	0.2
144.08098	26.1
145.08864	0.8
158.09689	1.4
159.10393	0.4
170.09651	100.0
171.10429	25.1
187.12274	1.2
201.13875	4.3
202.14661	21.1
220.52968	0.2
246.39951	0.2
301.19183	1.0
319.62967	0.2
341.73059	0.2
347.87195	0.2
417.20224	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1539
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
51.37537	0.7
60.45053	0.8
63.42781	0.8
67.32854	0.8
69.87500	0.8
75.41261	0.7
77.64132	0.8
81.62797	0.8
82.50605	0.9
82.54854	0.8
101.78460	0.8
106.58550	0.9
107.04929	2.1
113.01323	1.0
117.07011	1.8
123.04466	1.4
125.64025	0.8
131.04971	0.8
131.08502	1.5
135.97009	0.9
137.05948	1.7
144.08067	1.0
145.06453	6.6
147.08051	1.2
152.04657	1.1
159.08063	0.9
167.07037	100.0
170.09619	5.6
171.06480	1.1
171.10429	1.5
173.05978	26.2
181.04965	32.4
191.07018	4.1
202.14734	1.0
205.08607	2.0
217.08539	6.8
219.10237	1.0
233.08060	3.2
241.08492	0.9
256.36749	1.0
329.10162	1.6
337.10724	1.0
369.13647	1.0
387.14276	7.7
399.14557	3.7
417.15424	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	417.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.1
58.06613	0.9
63.35646	0.1
70.06587	0.1
70.25290	0.1
72.08154	0.5
75.75407	0.1
79.05502	0.1
81.03411	0.1
85.02900	0.2
86.09682	0.4
88.81957	0.1
95.04964	0.2
97.02892	0.1
99.04406	0.1
107.04942	0.2
107.69713	0.1
115.05439	0.2
117.07013	0.7
123.04415	0.6
127.08701	0.1
135.04401	0.1
144.08087	26.8
145.06502	1.7
145.08879	1.3
152.04691	0.1
153.05516	0.2
154.06442	0.1
155.06000	0.4
158.09631	1.2
159.10379	0.4
163.03903	0.6
167.07036	23.7
169.12224	0.4
170.09645	100.0
171.10419	24.8
172.11191	0.2
173.04472	0.1
173.05977	5.7
181.04950	5.8
187.12341	0.8
201.05457	0.2
201.13872	4.3
202.14648	19.3
205.08630	0.7
233.08057	1.2
235.09662	0.5
291.19394	0.1
301.19098	0.7
303.47330	0.1
307.16760	0.1
316.05893	0.1
387.14410	2.1
399.14825	0.1
416.70731	0.2
417.15311	11.5
417.20242	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1552
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.91855	0.3
57.03432	0.3
58.06610	0.3
65.14840	0.2
67.05502	0.5
69.03427	1.2
70.06604	0.5
72.00137	0.2
72.08156	1.3
77.10822	0.3
79.05490	0.5
81.03426	1.4
81.07055	1.3
84.08149	0.3
85.02906	2.0
86.09684	0.3
87.00835	0.4
91.05468	0.5
92.17857	0.3
95.04952	0.4
97.02885	0.5
99.04456	0.3
100.07661	0.3
105.07052	0.3
107.04960	1.5
107.08563	0.5
109.02868	0.7
109.06472	0.4
109.10171	0.3
114.09154	0.7
115.05491	0.4
117.05451	0.2
117.07017	3.7
118.22392	0.3
123.04426	1.6
127.03920	2.5
131.04936	1.8
131.08427	0.3
133.10146	0.6
137.05992	0.6
144.08081	0.3
144.15440	0.3
145.06505	6.7
147.08090	0.4
151.11162	0.6
152.04669	0.6
153.05458	0.3
155.06023	1.7
160.95767	0.3
161.06030	0.3
163.03905	1.6
167.07037	100.0
169.12234	2.8
170.09668	0.3
171.06551	0.4
173.05983	23.7
175.07579	0.6
181.04959	20.3
191.07036	0.4
201.05476	1.4
205.08606	4.1
217.08482	1.1
231.04964	0.4
233.08041	5.1
235.09616	1.8
245.07791	0.4
261.08636	0.4
262.08969	0.6
304.50937	0.3
367.12204	0.3
385.21191	0.4
387.09506	0.3
387.14410	8.4
417.15417	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	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.05109	0.7
52.99173	0.8
56.26840	0.7
57.44707	0.7
57.75912	0.8
59.78415	0.9
60.03340	0.9
60.74923	0.7
65.52282	0.9
67.54230	0.8
72.08141	1.4
86.72980	0.9
99.99200	1.2
107.04977	3.7
114.48223	0.9
117.06996	3.5
123.04427	1.1
135.04451	4.1
144.08089	1.9
145.06482	6.2
147.04453	1.2
155.06004	1.4
163.03911	1.3
163.26967	0.9
167.07030	100.0
170.09608	12.0
173.05974	23.6
181.04951	24.1
191.07170	1.5
202.14680	2.0
205.08597	3.9
217.08638	1.1
233.08139	4.9
255.10103	1.8
321.30539	1.0
329.10275	1.4
387.14285	6.3
417.15463	47.7
417.21085	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	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.92597	0.6
54.39287	0.7
56.39672	0.6
66.29950	0.6
75.30708	0.7
79.05486	1.4
81.03423	0.8
88.61095	0.6
93.07018	0.9
95.04987	0.9
103.05464	3.6
107.04964	10.8
112.81957	0.7
117.07001	1.8
123.04398	1.4
124.05144	0.9
125.05948	0.9
131.04935	7.5
145.06480	5.8
147.08043	0.9
148.05180	3.4
153.05495	0.9
161.06056	0.8
163.07549	6.9
167.07034	100.0
171.06523	1.1
173.05989	16.5
175.07509	1.2
181.04955	45.3
191.07037	22.9
195.06581	1.0
201.05446	1.1
205.08585	3.2
217.08679	1.3
219.10188	1.1
233.08098	3.2
235.09659	3.3
247.15741	0.8
263.09186	3.9
329.10187	1.5
338.50388	0.8
367.11823	1.1
385.12692	1.0
387.14459	6.8
399.14401	3.3
417.15430	52.0
417.19598	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
61.65464	1.4
69.07073	1.9
72.08173	2.3
76.78620	1.4
79.05505	2.4
81.07058	3.0
91.05470	1.6
93.07067	2.2
94.19063	1.4
95.08597	2.9
103.05481	3.2
105.07020	2.0
107.04926	10.7
115.05424	1.7
117.07011	5.7
121.06461	1.7
131.04909	7.7
131.08670	2.1
133.06511	2.4
137.05946	2.3
145.06471	3.2
148.65720	1.9
160.09636	3.8
161.10065	2.1
163.07501	10.1
167.07036	100.0
171.06537	2.6
172.05299	1.7
173.06001	18.3
181.04953	70.3
183.06520	2.8
191.07004	33.7
195.06529	2.4
205.08551	2.2
227.06937	1.6
233.08060	7.1
235.09608	2.1
258.16840	2.5
259.17322	8.8
263.09253	5.8
278.66858	1.7
294.51846	1.7
300.18112	3.4
301.18359	16.6
387.14429	9.7
399.14359	3.1
399.25195	2.6
417.15384	51.7
417.20490	2.7
417.25836	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	416.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32780	0.4
55.05532	0.5
56.99622	0.4
58.70050	0.4
60.04537	12.3
63.36752	0.5
67.05515	0.4
70.06583	0.6
71.05019	0.4
71.08643	6.8
73.69039	0.4
74.06077	4.1
81.07072	0.8
84.08138	0.9
88.02262	0.5
88.11263	4.0
89.04242	2.1
93.07077	0.6
95.08607	0.6
99.08055	0.6
100.11256	0.9
105.07039	0.8
107.08567	0.7
109.10146	2.0
114.12818	1.0
130.12289	100.0
138.40292	0.6
155.10672	2.0
166.12273	2.7
173.11755	2.3
184.13356	5.3
198.14929	2.4
212.20116	0.7
216.94901	0.5
230.21158	8.6
236.20148	0.5
254.21150	21.1
272.22208	43.8
302.23239	9.5
398.32840	5.0
416.22632	2.1
416.33719	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90199	0.9
55.05503	0.9
67.05498	1.0
70.06590	2.0
79.05476	1.5
81.07050	4.2
84.04511	1.0
85.10155	1.1
86.06067	23.9
87.04468	17.8
93.07028	2.1
98.06055	74.6
107.08618	1.2
121.10155	9.7
126.05514	25.1
128.07169	1.3
131.08542	1.5
133.10110	1.2
136.06175	1.8
139.11162	2.0
140.07034	1.4
142.08636	5.0
149.09625	27.1
154.08630	5.7
166.12189	8.9
184.13322	16.3
202.14421	1.6
206.15459	8.7
224.16481	14.4
234.14935	8.6
242.12405	1.2
252.15942	42.9
270.17020	1.5
277.54730	1.1
286.20175	1.6
288.18069	60.4
294.69470	1.1
295.22546	2.4
398.29126	4.4
416.30063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59002	0.5
52.95278	0.4
53.51731	0.4
57.65775	0.4
58.06578	0.6
66.89526	0.4
70.06600	6.0
71.73949	0.5
72.08125	2.1
72.97840	0.5
74.42904	0.4
84.08147	3.2
84.08543	0.4
86.09704	0.6
87.27205	0.5
100.45859	0.4
108.92530	0.4
136.06131	0.8
144.08095	27.9
145.08841	0.6
147.04434	1.8
148.66423	0.5
158.09671	1.9
170.09648	100.0
171.10423	27.9
171.11887	1.1
201.13936	5.2
202.14667	22.0
217.11873	2.1
304.08130	0.5
327.33548	0.5
336.89734	0.6
416.25641	64.4
436.25519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34724	0.3
55.14711	0.4
58.06611	0.8
60.64352	0.4
64.92018	0.4
122.50414	0.5
160.07579	33.7
161.08394	0.5
170.09576	0.8
174.09088	0.8
186.09145	100.0
187.09926	35.1
195.81903	0.4
203.11722	0.9
217.13339	4.4
218.14149	23.5
241.60977	0.5
357.11792	1.9
416.25455	87.8
418.86304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.4
67.05509	16.2
67.94411	1.5
69.07079	14.2
69.07398	1.2
70.06591	1.9
77.52519	1.7
79.05506	27.5
81.07055	25.4
83.04987	1.7
83.08620	6.4
85.67370	1.6
88.03970	1.7
91.05481	9.4
92.17766	1.8
93.07050	41.5
95.04953	1.7
95.08595	24.9
97.06551	2.3
97.10153	2.9
105.07052	12.1
107.04942	2.5
107.08608	37.7
109.06480	2.1
109.10149	10.5
117.07025	2.3
119.08576	12.0
121.10154	25.2
122.02757	3.8
131.08604	3.7
133.10178	13.0
135.11710	40.9
137.09636	1.7
143.08534	2.7
145.10150	3.4
147.11694	14.0
148.12238	2.0
149.13281	19.3
157.10130	2.2
161.13266	9.1
163.11229	2.0
163.14815	7.3
167.06995	1.7
171.11702	8.0
172.87764	1.7
173.13266	3.0
175.14806	3.2
181.05014	1.9
185.13205	3.0
189.12726	2.4
196.28981	1.8
199.14926	2.5
207.13890	1.9
213.16270	2.3
221.15329	2.5
235.16965	4.1
241.19560	2.6
253.94492	1.8
259.20679	6.8
271.94565	1.9
277.21628	100.0
291.17865	2.8
295.22763	8.3
309.18860	3.9
354.12723	1.7
381.20862	9.7
398.23648	17.4
399.22226	17.4
416.14810	2.6
416.24673	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23072	0.4
66.08794	0.4
66.29980	0.5
71.71669	0.5
72.08194	0.5
74.62060	0.4
75.84974	0.4
77.29391	0.4
144.08086	79.8
145.08846	3.5
148.07579	1.3
158.09612	4.4
170.09639	83.0
171.10420	16.2
173.10854	1.1
187.12337	9.2
188.13074	29.4
201.14005	0.9
202.14674	3.0
224.10667	3.3
228.08745	0.7
254.38266	0.6
269.16431	3.0
287.17590	1.1
416.21799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51606	0.3
56.43171	0.3
57.07086	18.0
65.42761	0.3
70.06603	2.8
72.08163	1.4
74.06076	0.4
74.09724	100.0
78.47447	0.3
84.04503	0.4
84.08163	1.4
86.09710	0.7
104.73675	0.3
110.07144	0.5
112.08740	0.7
115.08686	0.4
129.10246	0.6
135.76466	0.3
147.07742	0.3
152.05669	2.5
158.09323	0.5
175.11960	0.5
192.70424	0.4
197.13019	0.4
225.17195	1.3
260.16205	0.4
265.99655	0.4
268.91092	0.3
269.78223	0.4
271.17731	0.5
334.08188	0.4
416.21048	1.2
416.25833	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	416.1822
Annotation	Aclidinomycin A
Peak:m/z	Relative Intensity
55.05521	4.2
59.68917	0.9
59.69786	1.0
60.04522	1.2
63.42602	0.9
63.85446	0.9
70.06602	12.8
72.04507	4.7
72.08161	55.3
84.52798	0.9
86.09720	2.3
89.10797	15.4
98.06060	18.8
112.27726	0.9
114.09157	14.6
115.08699	9.8
127.03950	1.6
170.09607	1.4
178.18648	1.1
211.06145	1.3
223.06232	2.4
224.03476	4.0
224.07014	1.3
225.07849	1.4
226.08760	1.8
226.86713	1.1
239.05782	4.9
240.06757	1.5
245.06839	7.5
250.04996	1.7
251.05772	1.4
253.09744	1.8
254.08159	10.3
256.09592	2.1
258.07654	4.2
259.08368	27.2
260.09213	1.8
267.05157	9.4
270.07574	1.2
282.07715	8.4
284.09201	44.5
285.08759	5.3
286.06967	7.9
287.10349	1.9
295.04956	1.7
300.08884	1.3
310.07101	92.3
312.08731	1.8
324.11127	2.0
328.08148	24.3
339.13385	12.6
381.14401	5.8
398.17120	100.0
399.15460	1.4
416.18225	46.3
416.23611	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49800	0.5
65.37231	0.7
65.63171	0.5
70.30458	0.6
72.28554	0.6
84.07674	1.1
84.08149	24.7
86.09710	100.0
91.63637	0.6
101.10735	0.7
128.10721	14.8
129.10243	23.2
130.08643	22.8
147.11281	25.1
156.10194	3.0
163.03931	0.8
205.68594	0.7
226.53148	0.7
243.17155	0.8
243.19644	0.6
260.19675	6.4
415.29150	96.9
415.62161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47319	2.6
52.10023	2.6
55.21434	2.7
55.44540	2.8
56.87406	3.2
62.95432	3.4
63.67711	3.3
68.97333	3.7
69.69141	3.2
69.85030	2.9
70.14872	3.3
72.04498	4.4
72.08161	25.1
87.88436	3.4
92.17876	5.3
93.83044	3.5
94.77008	3.0
114.09177	46.2
145.69794	3.7
171.62178	3.2
209.14035	33.3
233.11620	5.4
267.18134	6.8
302.18604	21.3
391.95795	3.2
415.27014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59808	0.3
54.24522	0.3
58.06604	0.6
67.05521	0.5
69.07064	0.5
69.38805	0.3
71.39629	0.3
79.05505	0.3
81.07057	0.8
86.06075	0.5
91.05474	1.6
93.07059	0.4
95.08601	1.5
97.06519	0.6
98.06094	0.3
98.97581	2.2
105.07018	0.6
107.08587	0.4
109.10151	0.8
111.19286	0.3
116.98663	0.5
119.08573	0.8
121.10139	0.5
123.08030	0.3
128.98657	0.4
133.06572	0.4
133.10168	0.6
137.06012	0.6
144.08092	25.7
145.08870	0.8
146.92331	0.3
147.11688	0.6
149.09560	0.4
158.09628	1.4
158.99695	1.3
161.06038	0.5
161.09607	0.4
170.09644	100.0
171.10417	27.8
177.00803	0.4
186.11781	0.3
193.08601	0.6
201.13829	4.5
202.14651	21.7
205.50169	0.4
213.09100	0.4
219.01764	1.8
237.02789	1.5
255.20905	0.5
273.11224	0.5
329.12738	0.4
330.18741	0.4
339.58163	0.3
347.13736	2.5
369.12271	0.4
371.13675	0.6
389.14584	0.4
397.16660	2.5
415.13675	8.9
415.25833	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22561	0.3
53.77765	0.3
55.64341	0.3
57.79467	0.3
69.03455	0.4
70.06605	0.6
72.08166	3.0
79.05488	2.1
81.00089	0.3
81.07055	0.5
86.06086	0.5
86.09707	100.0
87.97119	0.4
95.04987	0.4
96.40411	0.3
100.40121	0.4
103.96360	0.4
107.04965	4.7
111.76250	0.4
114.05540	2.0
120.08128	0.6
124.05185	0.6
131.08647	0.4
167.07027	6.2
170.09689	0.7
177.05513	0.6
189.12331	7.9
199.14449	0.5
199.18120	2.1
220.03529	0.4
227.13896	19.1
227.17551	0.8
255.21146	0.4
261.07550	0.8
270.07697	2.3
273.22101	0.6
302.20831	1.6
310.70157	0.5
311.07425	0.4
312.22855	4.2
329.08109	0.7
340.22321	10.0
415.09750	2.5
415.18848	1.4
415.23856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84583	0.8
50.89132	0.8
55.05502	0.9
70.06574	3.8
72.08148	4.9
78.07898	0.9
81.03429	1.0
84.08177	1.2
85.02908	4.9
87.04478	6.6
89.06032	100.0
94.99062	1.0
97.02913	1.4
100.07619	5.7
107.04958	1.4
107.08575	1.3
109.02831	1.1
126.12791	14.9
133.08606	50.2
155.11790	1.0
159.23849	1.0
163.03886	1.2
167.07104	1.7
167.51543	0.9
167.73970	0.9
177.05450	1.8
177.11215	21.1
180.01155	5.0
191.10872	0.9
206.05742	6.2
214.36755	1.0
221.13876	3.4
245.62828	1.0
253.10114	1.6
258.44821	1.0
283.17426	1.1
304.65125	4.6
334.15244	2.8
334.18857	18.4
367.08069	11.5
371.22812	2.2
415.21387	2.8
415.25708	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	415.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01143	0.6
67.05493	0.5
70.06590	2.8
72.04513	0.7
72.08145	1.3
81.07037	1.0
84.07682	0.9
84.08152	17.1
89.00620	0.7
95.05020	0.5
95.08591	0.7
105.07057	1.2
107.08583	3.0
111.08096	2.6
114.09182	18.4
121.10137	1.2
123.08054	0.9
143.01665	0.8
143.11809	49.5
149.09676	2.7
155.05264	4.4
160.07600	3.6
164.32581	0.5
173.13989	2.4
185.13997	1.0
186.09158	9.7
187.09927	3.0
197.14090	0.6
218.14183	1.0
225.09447	0.8
243.10506	8.5
271.12274	2.2
272.10675	2.6
289.13373	0.6
303.21542	0.6
323.24393	6.2
333.15979	1.1
373.21432	0.8
397.22775	3.3
398.21262	0.9
415.23743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2342
Annotation	Tentoxin
Peak:m/z	Relative Intensity
54.06722	0.2
55.28949	0.2
58.06588	1.3
70.06574	0.3
70.27238	0.2
72.08157	0.3
78.36865	0.2
84.08131	0.3
114.49679	0.2
144.08092	25.2
145.08830	1.3
152.51855	0.2
158.09679	1.6
159.10434	0.3
163.03944	0.3
170.09647	100.0
171.10425	27.3
186.11510	0.3
187.12314	0.5
201.13857	4.9
202.14651	21.7
274.94266	0.3
415.23407	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2331
Annotation	Tentoxin
Peak:m/z	Relative Intensity
50.85341	1.0
55.05524	35.9
62.33596	1.2
67.05520	12.4
69.03417	8.5
69.07057	5.5
79.05498	11.2
81.07056	7.7
83.04963	2.0
83.08629	32.6
93.07031	4.4
97.10175	100.0
104.11831	1.2
107.04955	9.8
107.08582	20.4
111.08038	1.5
117.07028	1.9
117.69789	1.3
119.08511	1.5
125.09629	74.2
135.08064	7.1
137.14758	1.3
145.06514	1.3
153.09048	2.0
167.06981	12.2
171.10117	6.3
177.85896	1.2
181.04973	13.7
189.11226	19.1
195.06451	1.9
201.05504	2.0
227.12773	24.3
387.14389	8.3
397.22336	7.2
415.13779	7.1
415.23270	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2332
Annotation	Tentoxin
Peak:m/z	Relative Intensity
53.75431	5.7
55.05524	35.3
59.04710	5.2
62.19824	4.5
67.05500	9.8
69.07058	6.5
79.05473	7.0
79.44055	5.2
81.07061	10.2
83.08611	23.2
97.10168	78.7
107.08589	18.6
109.10120	4.8
125.09642	58.4
135.08031	7.0
142.88293	4.7
146.45154	4.5
164.12744	5.0
165.03276	4.9
189.11285	9.6
199.86691	4.4
205.08633	6.5
227.12810	23.1
354.90753	4.6
415.23343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46832	1.4
53.92298	1.8
61.27258	1.4
67.05493	1.9
68.43652	1.4
69.03420	6.8
69.07062	7.3
69.20138	1.4
76.24333	1.6
80.93011	1.7
81.03434	2.0
81.07031	3.6
83.04984	8.0
83.08623	1.9
85.02907	1.7
85.06566	2.8
95.08607	18.6
97.02871	2.6
99.08107	2.3
105.07025	2.3
107.08597	10.2
109.02863	2.2
109.06492	3.1
109.10155	57.6
111.19926	1.7
112.19743	1.7
113.23121	1.7
114.09125	2.6
119.08575	20.4
119.41259	1.5
120.24113	1.5
121.10140	7.2
123.08044	8.9
123.11689	3.6
127.03938	3.3
133.10190	13.2
135.11688	65.8
137.05963	7.2
137.09641	12.7
149.09711	1.8
149.13184	2.6
151.07477	1.6
151.11224	4.1
151.14825	11.4
175.14798	25.7
181.04927	2.1
193.15869	33.3
211.16924	100.0
231.81554	1.8
252.10487	1.9
397.16583	8.1
415.13666	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2229
Annotation	SCHEMBL638185
Peak:m/z	Relative Intensity
52.23179	0.7
53.48351	0.6
59.70310	0.7
64.51152	0.7
69.88565	0.7
72.08137	0.9
84.08157	5.5
85.29980	0.6
107.08598	0.7
114.09190	6.2
143.11810	14.4
160.07574	36.7
170.09572	1.3
186.09149	100.0
187.09937	34.3
191.08568	0.7
203.11591	0.7
217.13341	4.8
218.14125	23.0
243.10454	1.0
249.19275	0.6
313.92444	0.7
321.67316	0.8
323.24329	3.0
397.22815	0.9
415.22485	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80148	0.2
69.03416	0.4
72.47174	0.2
79.05508	0.2
79.99478	0.2
91.05483	2.4
97.10218	0.3
107.08608	0.5
117.07025	1.3
119.08583	100.0
133.06500	1.4
135.08043	1.3
137.00940	0.2
220.95491	0.2
351.18491	0.3
415.21213	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	415.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32568	0.2
57.85186	0.2
64.72215	0.2
69.24480	0.2
69.78645	0.2
71.92431	0.2
72.09949	0.2
79.05476	0.2
79.47023	0.2
79.96269	0.2
88.26356	0.2
91.05495	2.8
93.53780	0.2
107.08595	0.6
116.27605	0.2
117.06981	0.4
119.08583	100.0
133.06506	1.5
135.08063	0.8
223.29463	0.2
280.41946	0.2
415.21167	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	415.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10616	0.2
69.03415	0.3
69.04507	0.2
71.49529	0.3
79.05497	0.3
84.50295	0.2
89.41756	0.3
91.05484	2.2
92.18416	0.4
94.76614	0.3
95.31586	0.3
100.24033	0.3
107.08591	1.6
107.79585	0.3
117.07003	0.5
119.08582	100.0
133.06497	1.6
135.08063	1.3
154.92213	0.2
415.20987	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	415.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.3
76.33961	0.3
91.05481	2.3
98.99778	0.3
103.05478	0.4
107.08612	1.3
115.92673	0.3
117.07054	0.3
119.08582	100.0
133.06480	1.5
135.08061	2.7
323.89886	0.3
415.20932	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	415.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66814	0.2
55.05522	2.3
61.08966	0.2
66.91287	0.2
69.50614	0.2
70.06614	0.3
71.07399	1.0
72.08159	0.2
74.03140	0.2
86.09711	100.0
100.11261	8.1
100.11916	0.4
104.79018	0.2
105.43913	0.2
116.77430	0.2
118.06544	2.5
120.08076	0.6
174.05392	1.4
180.69762	0.3
277.15417	1.8
329.15271	0.3
371.16068	1.2
398.15228	0.3
415.14844	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	415.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78807	0.2
55.05524	2.9
66.54649	0.2
70.06567	0.5
70.14673	0.2
71.07390	1.2
75.99557	0.3
77.67061	0.2
86.09710	100.0
91.05483	0.4
100.30577	0.3
110.42315	0.2
118.06571	2.0
120.08141	0.3
146.05989	0.4
146.59120	0.2
174.05496	1.0
192.06500	0.5
277.15472	2.0
329.15283	1.3
367.55688	0.3
371.16711	3.0
415.15176	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	415.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01873	0.8
55.05525	0.4
57.03449	1.0
66.47902	0.4
67.05499	1.0
68.19674	0.4
69.03438	6.1
70.06608	0.4
72.08160	2.0
79.05502	2.7
81.03430	3.7
81.07069	1.1
85.00298	0.4
85.02908	11.4
85.06554	0.5
86.09710	2.3
87.00836	7.9
91.05477	6.4
93.07050	100.0
95.04980	5.1
95.08601	3.2
97.02934	3.8
97.06519	0.6
99.04465	1.9
103.04089	0.5
105.01883	7.3
105.04541	0.7
105.07049	3.0
107.05004	0.7
107.08604	2.8
109.02878	6.1
109.06541	0.8
109.10182	0.8
110.47092	0.5
111.08121	0.8
115.03939	0.6
119.08603	2.3
121.06499	0.8
121.10148	45.9
123.08075	1.1
127.03925	8.2
131.08585	2.1
133.10115	0.6
135.08072	0.8
135.11726	0.6
137.06075	0.5
139.04007	0.6
141.09152	1.0
143.08591	0.8
145.05031	1.6
145.06403	0.5
145.10181	1.1
147.08054	1.0
149.09624	26.7
159.02945	0.5
159.08047	0.6
161.09578	1.0
167.07028	0.8
167.10672	19.2
175.11203	0.8
181.04906	0.6
191.10648	0.8
201.09200	0.6
209.11728	0.9
221.11661	0.7
229.12294	0.8
231.05075	1.1
257.11838	2.7
275.12836	2.0
329.15723	1.9
371.16934	4.0
379.13974	0.8
397.15018	0.8
415.15659	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	415.1381
Annotation	(+)-Epiexcelsin
Peak:m/z	Relative Intensity
50.40507	1.9
55.15828	2.2
69.07087	3.4
70.06613	2.7
76.75242	2.4
79.05503	5.3
81.03438	3.7
81.07065	4.6
82.51575	2.2
83.91259	2.9
84.24409	2.5
85.06521	2.4
87.04498	2.7
93.07027	3.3
98.97580	16.4
104.04385	2.6
105.07042	5.2
107.04964	18.6
112.30969	2.6
116.98626	3.7
119.08608	4.9
123.08125	3.0
133.06483	4.8
133.10152	3.0
135.11639	3.3
158.99626	4.9
161.06032	6.1
167.07069	29.0
170.09662	4.9
181.04980	23.0
205.08675	3.1
219.01752	11.4
222.15706	3.4
237.02847	6.0
262.74442	2.8
269.16144	2.7
275.90268	2.5
278.08447	3.7
327.69708	2.7
329.12790	4.5
347.13895	25.3
387.14133	19.1
389.14862	10.3
410.16055	2.8
415.13431	100.0
415.29037	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	415.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59653	1.2
70.69836	1.3
77.72314	1.3
85.99809	1.6
104.10754	2.4
166.74960	1.5
174.16144	1.5
284.24222	1.7
404.20911	1.4
415.10208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1005
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
53.38346	0.8
61.43325	1.0
61.99374	1.0
64.69503	0.9
70.06577	1.8
72.08142	5.5
73.34380	1.0
89.10795	1.9
94.61256	1.0
98.06033	1.5
100.57809	1.0
115.08652	1.5
148.46564	1.0
155.78226	1.1
158.12924	1.2
174.23955	1.1
177.05458	4.7
183.11298	2.0
189.53926	1.1
203.11404	1.2
228.17531	1.2
235.11569	1.2
245.07993	2.0
273.07526	2.5
293.37021	1.1
361.17282	1.5
379.18539	2.1
397.19882	5.1
415.10007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57012	10.1
55.05532	13.1
58.80148	8.8
66.72636	10.6
67.36827	11.6
69.07071	18.7
83.08607	16.4
92.04076	12.5
97.10168	16.8
104.07118	100.0
111.11772	15.3
152.15497	12.0
205.97086	13.1
238.78674	10.6
247.87209	12.7
333.94458	10.5
396.34576	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	414.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	0.8
69.07069	1.1
70.06599	0.6
71.04986	0.9
71.08645	6.0
79.05476	0.6
81.07061	3.7
84.08143	0.8
86.09686	1.3
88.11260	5.2
92.17850	1.1
93.07066	1.0
94.11098	0.5
107.08587	2.6
109.10157	0.8
111.87919	0.6
112.02248	0.6
117.76808	0.6
121.10147	1.4
123.11733	0.6
131.08534	0.7
138.12811	1.2
140.10709	1.0
149.09650	1.0
166.12331	6.9
180.13904	1.1
184.13335	20.7
184.14859	1.1
198.14867	7.2
202.07649	0.7
202.14417	1.1
236.20135	0.9
254.21159	46.1
272.22202	100.0
350.30545	1.1
396.31174	14.6
414.32190	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	414.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21287	1.1
56.85685	1.3
59.68489	1.1
67.05510	2.7
69.07067	1.3
71.08643	10.9
79.05502	5.5
81.07078	7.0
83.08644	2.2
91.05501	4.6
93.07056	9.3
95.08622	2.8
97.06545	2.4
99.08096	8.6
105.07050	2.3
107.08603	7.2
119.08591	2.0
121.10154	2.7
133.10149	2.0
135.11711	6.4
151.11125	1.8
161.13289	2.4
176.98553	2.3
179.14323	18.0
231.10231	1.4
277.21680	5.5
306.18613	1.6
351.25320	100.0
367.42230	1.4
373.17184	4.7
414.30109	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	414.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53304	7.2
65.84876	7.6
67.30961	8.1
73.25523	7.0
75.30704	6.1
81.07082	8.6
91.69758	8.8
95.62591	8.5
100.05291	7.5
104.93594	7.9
120.56693	7.1
200.24512	7.5
277.21738	9.6
289.63269	9.4
308.61215	9.6
351.25305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74640	0.8
57.07087	18.6
58.90358	1.2
58.90649	1.2
61.30964	1.2
61.47643	1.0
64.56041	0.9
69.07027	1.1
71.08276	1.5
71.08643	32.5
85.10191	23.9
85.65581	1.0
87.04465	1.3
89.06037	47.3
89.98102	1.1
91.05495	1.5
93.07048	13.9
95.04981	1.3
110.88094	1.0
119.04973	1.1
121.06510	76.8
127.77922	1.1
133.08624	12.8
136.59451	1.1
138.33543	1.2
142.47144	1.5
147.08046	5.1
149.09563	1.1
164.00285	1.2
165.09122	21.8
177.11250	2.5
183.10077	1.6
209.11726	1.7
235.83600	1.1
247.20587	5.4
271.15414	100.0
291.23148	4.8
397.29498	59.0
414.32690	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	414.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94028	0.3
56.81183	0.2
58.06602	0.4
64.50153	0.3
86.43029	0.3
88.26011	0.3
104.24509	0.3
119.73262	0.3
127.94756	0.3
144.08101	28.6
145.08846	1.3
158.09630	1.4
159.10454	0.5
170.09651	100.0
171.10429	25.9
177.57578	0.3
187.12349	0.5
191.60008	0.3
201.13890	5.0
202.14664	21.3
225.96684	0.3
307.50476	0.3
317.50983	0.3
376.69437	0.3
414.27530	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08139	0.3
58.06593	0.4
61.05569	0.3
64.78380	0.3
80.69175	0.4
83.46304	0.3
128.96564	0.3
144.08089	27.6
145.08882	1.4
158.09700	0.7
164.04242	0.7
166.43073	0.4
170.09642	100.0
171.10429	27.2
187.12317	0.5
201.13881	5.2
202.14655	20.8
282.97055	0.4
329.70737	0.3
414.27527	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33045	0.2
55.33702	0.3
58.06613	0.4
58.31492	0.3
58.56557	0.3
59.04149	0.3
62.61941	0.3
64.94146	0.3
78.56563	0.3
78.81572	0.3
110.71966	0.3
144.08096	27.6
145.08859	0.8
158.09671	1.3
159.10497	0.5
170.09651	100.0
171.10432	29.8
186.14926	0.7
201.13860	4.3
202.14659	20.2
342.22153	0.4
414.27539	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39634	0.4
113.55728	0.5
120.30747	0.5
144.08095	26.1
144.24399	0.5
145.08849	1.8
158.09727	1.7
170.09642	100.0
171.10434	26.1
171.11887	1.0
201.13850	3.5
202.14651	21.6
228.43477	0.6
414.27515	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14868	0.8
58.49229	0.9
59.48432	0.9
59.59886	0.9
109.06557	1.1
135.44084	1.1
144.08084	29.9
170.09644	100.0
171.10419	25.2
201.13895	4.2
202.14651	26.5
242.31395	1.1
277.08115	1.6
285.26382	1.1
414.27521	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87657	0.3
57.36373	0.3
75.49153	0.4
79.17077	0.4
123.02775	0.3
144.08084	25.7
145.08852	1.5
158.09616	0.9
170.09641	100.0
171.10419	27.3
187.12376	0.5
201.13817	4.8
202.14644	22.2
414.27499	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	414.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05646	0.8
61.02952	0.6
66.12092	0.6
70.06595	9.2
72.08163	15.3
73.08540	0.7
81.04543	0.8
84.04507	1.2
84.05630	0.6
84.08131	3.9
85.02905	4.3
86.09714	1.3
88.04006	0.9
88.07636	2.8
88.11265	5.0
95.06176	0.6
97.02877	1.1
97.07665	1.2
98.06013	0.9
100.26565	0.5
105.07100	0.5
105.50655	0.6
110.07146	1.2
114.10293	35.3
115.08690	3.6
120.08077	0.9
123.04418	1.0
124.07607	1.0
127.03910	1.0
129.10239	1.3
131.12956	0.8
131.21907	0.6
136.06107	0.7
137.06006	2.4
138.09048	0.6
148.07582	7.4
148.11230	2.7
151.07661	0.9
152.07045	0.9
162.50272	0.6
163.03894	9.3
164.04251	1.1
166.08614	4.7
166.12251	0.7
177.05461	0.9
184.04314	0.8
206.02817	0.9
212.59680	0.6
215.90378	0.6
222.11189	0.7
234.02338	2.8
242.09235	56.7
252.03233	5.4
256.10626	1.1
267.05713	0.7
273.09100	0.9
283.11981	2.6
284.10312	30.9
301.13000	1.0
354.19257	3.8
355.17676	18.0
372.20325	3.0
380.17487	0.7
391.97070	0.6
396.16034	1.1
397.19803	27.3
398.21393	0.7
414.22556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29295	0.5
57.05392	0.5
60.05625	0.7
69.03407	1.1
69.28352	0.6
69.80237	0.6
70.06597	5.0
70.60206	0.5
71.05006	1.2
72.00584	0.6
72.08162	12.2
73.08472	0.7
78.71877	0.6
79.34923	0.6
81.04554	0.6
82.05347	0.7
83.06100	1.4
84.05591	0.6
84.08184	0.9
85.02905	3.3
87.04471	8.6
87.07974	0.6
97.02891	0.7
97.07674	2.3
98.06075	1.1
109.06391	0.9
110.07187	0.9
114.10278	12.9
115.08685	0.8
120.06593	1.2
123.04416	0.7
131.12929	3.0
136.06187	100.0
137.06537	3.6
145.02936	0.9
148.11317	0.7
150.07719	4.6
152.07042	1.0
153.72424	0.6
154.97362	0.5
157.10840	7.1
162.04108	6.9
162.05281	0.7
163.03844	16.4
164.04243	3.7
177.05495	1.0
192.06595	0.9
202.04932	0.8
204.12495	4.7
221.15038	2.5
242.09222	30.6
252.08571	0.8
258.12411	3.6
266.09317	3.2
268.10419	6.9
269.08051	0.7
281.09915	5.0
282.10110	7.7
284.10303	35.8
355.17740	3.2
397.19974	7.6
414.16272	15.7
414.22467	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15245	1.3
54.25663	1.3
57.07064	2.0
67.19205	1.7
67.56493	1.4
69.07056	1.9
72.52898	1.6
81.07060	10.1
93.07058	6.4
95.08614	11.0
97.10162	1.9
100.15546	1.5
105.07030	3.5
105.46612	1.5
106.00874	1.6
107.08607	7.1
109.10161	8.6
119.08572	3.2
119.56979	1.4
121.10118	8.8
131.08572	2.6
133.10149	2.3
135.11707	8.0
145.10173	10.6
147.11682	14.9
149.13269	6.4
159.11696	15.3
161.13269	27.6
163.14865	2.4
173.13298	3.8
175.14900	2.3
187.14812	2.1
199.14912	2.5
253.19553	1.7
255.21071	100.0
257.22586	3.4
407.35468	1.7
413.34146	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05522	0.9
55.89877	0.5
67.05513	0.7
69.07063	0.5
70.06587	0.9
71.05001	1.1
72.08164	10.0
73.06562	1.2
77.18894	0.5
79.05499	0.5
81.03458	0.5
81.07050	3.9
83.04977	2.8
84.05640	15.7
86.09740	0.9
91.05486	0.7
93.07059	1.0
94.36960	0.5
95.04966	0.7
95.08610	3.2
97.06561	1.1
100.07610	0.6
101.64255	0.5
107.08633	1.0
109.10155	0.7
110.02319	0.5
111.08115	1.2
114.09206	2.6
119.08575	0.9
121.10148	2.0
125.05955	0.7
125.91453	0.5
128.03450	2.5
135.08133	0.6
137.09625	2.9
138.10269	0.7
139.11168	3.5
147.11835	0.6
151.11197	0.8
152.07063	2.0
153.12735	0.5
155.12926	9.6
163.03899	0.9
165.11333	1.1
167.68581	0.5
170.08089	1.2
183.12514	0.6
188.09183	5.4
197.11649	0.9
208.14470	1.1
211.11949	5.3
211.14297	0.6
226.15530	17.6
227.17462	0.6
233.15366	0.6
263.20102	4.0
271.14017	19.0
271.16898	0.8
280.20282	0.9
281.21185	2.1
297.22870	26.1
309.20596	0.9
310.05356	0.5
312.45309	0.5
325.22513	0.7
351.23804	0.7
353.21848	11.1
377.20105	2.3
395.21313	3.2
413.24011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85418	1.4
58.69785	1.4
60.81303	1.4
69.03443	2.8
69.07066	2.0
69.19875	1.4
79.12783	1.6
79.89769	1.5
81.07059	2.9
85.02889	1.9
92.18428	1.6
93.07021	1.8
107.04975	3.0
107.08590	14.6
109.06504	3.3
109.10191	1.9
121.10153	7.1
127.03868	3.1
133.10135	100.0
135.08054	9.9
137.08575	2.3
137.09624	60.8
145.10123	1.9
149.09581	2.1
149.13258	13.9
163.03854	3.2
173.13264	8.3
177.06750	2.1
191.14304	53.7
209.15388	11.1
353.13739	7.0
395.21222	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	413.2173
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
53.03933	0.7
55.01864	1.2
55.05529	1.3
57.03436	1.7
61.02926	4.7
62.45807	0.6
67.05499	4.6
69.03440	12.8
69.07059	1.2
70.06584	3.4
71.04987	5.0
72.08169	7.0
73.02917	1.5
79.05504	0.9
80.57863	0.7
81.03421	7.5
81.07046	3.2
84.04535	0.7
84.08144	3.7
85.02422	1.4
85.02914	35.3
86.09701	3.4
87.00829	1.1
87.04457	3.6
91.03944	1.3
91.05478	3.5
93.07028	5.2
95.04967	8.5
95.08597	7.6
97.02888	13.6
97.06531	4.7
99.04456	8.2
103.05470	2.8
103.90471	0.9
105.01866	1.0
105.07056	6.4
107.08591	5.1
109.02887	6.5
109.06526	3.1
109.10171	10.3
111.08086	0.7
115.08695	0.8
115.80692	0.7
117.07000	1.0
119.04996	0.9
119.08583	72.5
119.38272	0.7
121.06523	1.6
121.10183	3.1
123.04459	3.1
123.08093	1.3
125.09614	0.8
127.03912	9.0
129.10205	1.3
131.08598	5.3
133.10129	9.4
135.08025	0.7
135.11723	0.9
137.09641	3.5
143.08569	1.6
145.04980	5.2
145.10132	7.6
147.04410	18.0
147.07973	1.6
147.11694	2.9
149.09615	1.1
155.08559	1.3
157.10138	3.9
159.04407	0.7
159.08093	1.4
159.11687	5.7
161.09615	1.3
161.13268	3.5
163.03902	3.3
163.11230	1.0
165.05486	8.3
165.09000	1.4
165.12695	0.8
169.10159	1.0
171.11684	3.4
173.09628	1.1
173.13271	3.7
175.11235	1.3
187.11067	0.8
187.14833	3.8
189.12738	10.1
197.13263	4.3
203.14311	1.0
207.13799	19.6
215.14307	8.3
217.15884	0.9
231.05070	0.9
233.15366	100.0
235.16905	4.6
251.16382	18.5
253.08734	0.7
263.07034	1.3
278.09357	0.8
278.92111	0.8
309.07211	1.3
353.13928	1.8
369.15207	3.3
413.08218	3.6
413.14139	26.9
413.22137	11.1
437.37808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24767	1.1
62.87732	1.5
70.06596	1.6
72.08135	5.8
73.74094	1.3
75.98655	1.5
81.07069	1.6
84.94310	1.4
85.02916	1.5
89.10828	1.3
93.07019	1.5
96.09017	1.7
107.04961	58.9
114.09195	3.3
115.08688	2.6
119.08678	1.6
121.02856	9.5
123.08047	2.0
126.39587	1.4
128.68628	1.4
131.04897	15.7
138.16504	1.4
142.56270	1.3
146.67751	1.4
153.43925	1.5
163.03888	26.5
163.04996	1.7
164.04204	3.0
173.13336	2.3
175.03934	3.7
185.06015	2.4
201.05431	30.4
205.06509	2.2
213.05513	2.1
214.06314	7.4
219.08105	8.9
229.06522	3.0
234.06752	1.6
235.07570	8.0
236.08423	7.2
237.09172	6.2
247.07509	16.9
248.08418	3.2
249.09137	2.5
251.10812	2.9
251.16585	2.8
257.05939	44.5
260.62988	1.5
261.09094	3.1
263.06873	6.0
264.07913	9.8
265.08618	33.4
267.10254	7.4
274.06210	16.9
275.06998	21.7
277.08578	15.7
279.10217	14.9
279.12762	1.7
289.08557	38.1
289.11349	2.4
291.64703	1.6
292.07251	18.9
295.09625	32.1
307.09644	100.0
325.10712	81.0
325.14471	3.2
353.14029	2.6
377.20105	2.7
379.30075	1.8
395.20969	3.0
396.18088	1.8
413.20764	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	413.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17596	0.6
66.10316	0.6
70.06552	0.6
71.89577	0.8
72.08141	4.3
85.02898	6.9
85.58607	0.6
97.02886	1.2
99.47639	0.7
127.03914	1.1
135.04396	3.6
145.02870	5.9
145.04900	0.8
163.03900	100.0
210.54288	0.6
234.11357	1.4
251.13947	2.5
275.98770	0.7
396.16724	1.1
413.19202	41.2
418.43719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.2
61.02916	0.9
62.01582	0.3
63.02389	0.8
68.01900	0.2
69.03423	1.1
72.08160	1.7
81.03434	0.4
85.02410	0.4
85.02908	6.6
87.04508	0.2
89.03918	1.3
89.10798	1.6
92.63346	0.2
97.02915	2.1
98.06089	0.3
99.04457	0.3
102.36809	0.2
107.04951	0.4
109.02878	0.8
114.30442	0.2
115.08673	0.4
115.17850	0.2
117.03388	1.4
127.03945	1.5
130.76732	0.2
135.04419	3.1
143.21581	0.2
145.02869	6.3
145.04964	1.1
159.71413	0.2
163.03905	100.0
230.02501	0.2
234.11269	1.2
251.13928	1.6
325.09213	0.8
396.16620	0.9
413.19202	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	413.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	0.7
65.72160	0.4
66.98313	0.3
69.03432	0.6
70.06580	1.6
71.58659	0.3
72.08159	4.0
74.71012	0.3
75.99832	0.3
85.02911	6.6
85.78088	0.3
89.10784	0.5
91.03960	0.6
97.02889	2.6
98.06067	0.5
99.04486	0.6
100.25623	0.3
109.02911	0.4
115.08675	0.5
117.03387	0.5
127.03905	1.9
135.04410	3.2
142.22627	0.3
145.02866	5.9
145.04924	0.9
150.09146	0.5
163.03902	100.0
164.65817	0.5
201.98212	0.4
234.11249	1.5
251.13802	2.6
325.09018	0.4
396.16690	0.5
410.55023	0.4
413.19208	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71253	0.1
55.05509	0.2
62.36107	0.1
69.03417	0.7
70.06582	1.0
72.08162	9.8
76.24079	0.2
81.03375	0.2
84.08138	0.8
85.02912	1.6
86.63467	0.2
89.03915	0.2
89.10287	0.3
89.10797	5.5
97.02895	0.9
98.06059	0.3
99.09219	0.3
114.09146	0.2
115.08690	0.6
117.03374	0.7
127.03938	0.3
135.04404	2.1
137.05940	0.2
145.02858	3.6
145.04936	0.2
163.03902	100.0
205.04839	0.2
206.11752	1.5
209.83914	0.2
223.14424	0.6
234.11241	5.1
245.04974	0.3
251.13867	5.3
254.11388	0.2
396.16690	1.0
413.14420	4.5
413.19223	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62470	0.2
63.10855	0.2
63.23284	0.2
65.26878	0.2
67.79357	0.2
69.17609	0.3
70.06581	1.3
71.61023	0.2
72.08157	7.0
81.03422	0.4
82.03791	0.2
84.08131	0.4
85.02913	0.2
89.10783	1.3
91.05481	4.9
98.06035	1.1
105.03388	0.3
107.04933	0.9
115.08704	0.3
119.04960	3.2
121.10120	0.3
135.04434	1.8
144.99727	0.3
163.03899	5.5
164.07098	0.3
179.08586	0.8
189.01820	0.3
189.06908	2.2
191.08186	0.4
192.08536	0.5
193.06506	0.4
193.08690	0.4
204.40115	0.3
207.08067	0.9
210.06764	1.1
211.07500	0.3
217.06505	2.9
221.05934	0.2
232.61275	0.2
233.05949	0.9
235.07571	3.9
237.05435	0.9
237.09061	0.4
239.07172	0.3
244.93367	0.3
251.07048	1.4
253.08559	3.2
263.07025	100.0
265.04880	1.9
267.05002	0.3
304.61734	0.3
307.05960	1.1
318.07623	3.0
325.07083	2.0
334.14404	6.3
351.17050	31.5
353.56604	0.2
360.12427	0.5
363.59320	0.3
367.24948	0.3
377.14722	1.1
395.13409	1.1
413.12012	1.3
413.16974	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	413.1711
Annotation	Kopsinicine
Peak:m/z	Relative Intensity
51.90371	0.8
55.05518	3.0
56.59736	0.9
68.60256	0.8
70.06577	1.2
70.35161	0.8
72.08161	76.4
78.35918	0.8
79.05489	1.0
85.02921	0.8
89.10287	1.4
89.10798	27.3
91.05480	33.1
97.75904	0.8
98.06059	8.4
105.03421	9.8
107.04948	4.3
109.49892	0.8
115.08707	11.5
119.04942	20.5
131.04999	0.7
135.04428	8.2
145.02798	1.0
147.04385	5.9
161.02341	12.9
162.03107	1.9
163.03903	100.0
165.05450	1.8
167.08528	3.2
168.78644	1.0
177.05687	0.8
189.01797	1.3
191.08531	4.4
193.06465	0.9
205.06459	1.4
207.08109	1.4
209.05975	3.7
210.06854	9.9
211.07489	5.9
219.08047	3.2
221.42047	0.9
223.07574	4.2
233.06007	1.9
235.07487	3.1
237.05513	19.6
237.09097	16.0
239.07008	5.7
251.07027	27.7
253.08502	5.3
263.07040	51.4
265.04782	1.2
279.06531	4.3
283.06027	1.4
325.06952	1.5
334.14325	9.1
351.17059	16.5
360.12189	1.2
396.14316	8.3
413.17068	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.17
Annotation	Kopsinicine
Peak:m/z	Relative Intensity
53.03971	0.8
55.05513	1.3
55.51316	0.5
56.30017	0.6
57.03446	0.8
61.02936	0.7
61.32320	0.6
67.05511	1.5
67.44876	0.6
69.03443	6.5
69.07036	0.7
70.06594	4.4
70.96864	0.6
71.16177	0.6
72.08164	78.6
79.05489	1.3
81.03436	4.7
85.02912	13.9
86.09723	1.3
87.00836	6.6
89.10799	19.1
90.40958	0.7
91.05486	23.7
91.25193	0.7
93.07012	1.2
95.08636	2.3
97.02906	8.1
98.06065	4.1
99.04469	3.1
103.05481	13.2
105.01858	6.7
105.03406	4.6
105.07023	1.1
107.04996	1.6
107.08602	1.4
109.02872	9.8
109.06519	1.0
109.10172	4.5
110.09708	5.2
115.08704	4.0
119.04926	11.6
119.08646	0.9
123.04441	7.1
123.08067	1.1
124.07605	1.0
127.03935	12.1
134.09677	0.8
135.04401	3.7
135.08081	4.3
145.04974	5.3
147.04422	47.1
147.08046	0.8
147.11790	0.8
152.10706	14.6
157.10278	0.8
159.02948	1.6
161.02351	9.3
162.03229	0.9
163.03914	61.0
164.07086	1.3
165.05527	6.2
165.06888	0.9
167.08527	1.1
170.11760	5.7
175.03888	1.1
177.05577	1.0
184.92389	0.7
189.01828	0.8
191.08575	3.5
205.06491	1.6
207.08116	0.9
209.05969	1.3
210.06769	5.0
211.07558	8.2
213.04015	3.6
219.08009	1.4
223.07579	3.2
225.09204	0.9
231.04976	6.1
233.05923	1.2
235.07497	1.6
237.05449	13.9
237.09062	6.0
239.07027	3.4
251.07037	21.7
251.09721	0.8
253.08563	5.8
261.09171	1.4
263.07053	6.6
265.04837	1.0
278.09335	1.1
279.06522	22.8
283.06161	2.7
289.04922	0.7
306.08731	0.9
307.09656	1.1
321.11139	1.0
323.09247	4.2
325.07339	0.7
332.18771	0.9
333.16052	4.2
334.14532	2.1
351.17139	6.5
352.15408	1.2
353.13849	10.4
367.22345	2.9
395.09744	3.5
395.15625	2.1
395.21347	0.8
396.14471	7.0
398.20877	4.6
413.17123	100.0
413.22406	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26623	0.2
60.73969	0.2
62.93524	0.2
69.07049	0.2
70.06577	0.3
70.43134	0.2
72.08129	0.8
72.32524	0.2
79.05452	0.2
81.07064	0.4
83.04963	0.2
86.09694	0.4
89.50220	0.2
90.25317	0.3
92.18443	0.3
95.08604	0.4
95.38383	0.2
99.04432	1.2
121.10107	0.3
121.26653	0.3
127.03883	2.1
128.81712	0.2
139.11107	0.3
156.08049	0.2
165.05484	0.5
188.09189	0.3
194.05997	0.4
196.03981	0.4
196.07573	5.0
208.07576	0.8
209.04626	0.2
211.09846	0.3
220.17027	0.2
222.05484	0.9
223.06276	0.4
224.03435	0.4
224.07066	1.7
226.08646	0.4
226.12466	0.2
235.06299	0.8
236.07056	0.8
238.08662	0.5
239.05727	2.2
239.09355	0.4
249.07745	0.4
250.05011	0.4
251.05690	0.4
252.06487	1.2
252.43845	0.2
253.07474	0.4
254.08107	3.8
264.06595	1.6
266.08163	1.4
267.05246	3.3
267.08853	0.9
268.06027	8.9
280.06100	0.4
280.09824	0.3
282.07617	3.2
284.09189	0.4
294.07693	0.3
310.07086	24.5
311.07907	4.2
326.10165	2.1
339.03226	0.4
339.07370	17.5
354.09720	100.0
395.20584	0.3
413.17065	37.7
413.23276	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	413.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28333	3.9
60.85052	3.6
65.87451	3.3
86.61190	4.1
88.55564	3.6
89.55127	3.5
107.04921	4.2
108.07026	4.2
123.08046	4.7
132.05746	4.6
163.03902	20.0
167.07042	35.5
177.05447	3.8
191.06960	5.4
192.07811	16.0
199.07584	4.4
233.09402	8.8
261.09171	7.7
277.08591	7.4
278.09384	7.9
289.08469	8.5
293.11896	6.8
306.08752	8.5
307.09555	6.1
321.11130	17.1
323.09222	17.8
353.13834	100.0
413.23880	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	413.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73666	0.9
52.08101	0.9
67.05518	2.0
78.04738	1.2
79.05504	7.8
81.07066	2.2
88.07146	1.0
88.44933	1.1
90.01012	0.9
95.08646	1.1
103.05475	2.6
105.07043	4.4
107.04966	27.0
107.08604	1.6
112.00007	1.0
118.04121	1.1
123.04414	4.2
124.05204	5.2
125.05977	1.6
131.04941	11.4
133.06500	4.6
133.10135	1.2
145.06522	1.0
145.10114	1.1
147.04416	1.6
152.04654	1.3
159.08052	1.6
161.05997	4.6
163.03943	4.1
167.07043	100.0
170.09708	1.2
171.08072	4.4
173.05942	1.7
175.07516	1.4
176.04741	2.6
179.07111	1.7
184.05161	2.2
187.07474	1.7
190.07851	1.2
191.07033	37.2
199.07549	37.1
203.08595	3.9
205.10197	1.2
215.08601	4.8
218.07329	6.7
231.08115	2.2
232.08829	1.9
233.09651	20.2
235.07497	3.8
243.08060	2.5
246.06790	5.1
247.07591	1.3
249.09082	2.1
250.09999	2.0
260.08539	7.2
261.09100	26.6
262.09933	2.4
263.07095	5.1
263.20114	1.2
265.11984	1.1
273.09122	1.5
274.06290	5.7
275.07028	2.2
277.08578	2.5
278.09390	12.3
288.07755	1.3
289.08591	37.5
290.09308	11.1
291.06699	2.2
291.10175	5.0
292.07306	1.1
293.11639	8.7
301.64755	1.1
303.10226	2.1
305.07947	1.5
306.08926	10.4
307.09702	8.0
321.11227	74.1
322.11981	4.7
323.09308	1.5
325.14249	1.7
338.11368	1.2
353.13834	49.0
395.20563	1.3
413.11490	1.2
413.21756	1.7
413.30624	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93327	1.3
62.94034	1.1
79.05500	6.8
96.88256	1.2
103.05484	2.6
105.07022	5.7
107.04967	23.2
123.04424	2.0
124.05199	1.9
131.04922	12.1
132.05737	1.8
133.06499	1.6
139.29414	1.2
147.04420	1.8
148.05298	1.4
156.68559	1.2
161.06000	6.7
167.07036	100.0
167.29361	1.3
171.08022	2.1
175.07616	1.8
176.04735	2.2
179.07037	1.3
184.05194	2.3
190.07819	1.4
191.07045	37.1
199.07526	32.9
205.10150	2.4
215.08549	8.6
218.07300	6.3
229.06532	1.3
231.08105	1.7
232.08885	4.5
233.09644	21.2
234.10767	1.2
243.08134	1.5
246.06799	7.2
247.07503	2.5
249.09073	2.1
257.05963	2.5
259.07501	2.3
260.08447	5.2
261.09088	22.8
262.09882	1.9
263.07043	1.8
274.06335	8.2
275.07135	2.3
275.10889	2.0
277.08789	2.3
278.09457	9.1
288.07977	2.5
289.08615	33.1
290.09326	10.9
291.06256	1.6
291.10190	1.3
293.11703	9.2
295.09442	1.7
306.08719	9.6
307.09686	6.1
307.19354	1.2
321.11224	66.6
322.12115	7.0
325.14456	1.7
338.11594	1.7
349.10477	2.2
353.13824	39.1
381.13425	7.1
393.26376	1.3
413.16010	9.2
416.08432	1.4
433.93713	1.3
438.95627	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	413.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14040	1.5
76.85431	1.4
79.05505	3.8
80.88322	1.9
81.07052	1.6
86.68351	1.4
88.55111	1.5
93.21857	1.2
103.05457	2.2
105.07040	6.2
107.04976	26.7
115.36626	1.8
131.04948	11.9
133.06587	1.9
133.10211	1.6
147.04405	2.7
159.08105	2.3
161.05975	7.3
167.07034	100.0
171.08081	2.3
176.04695	3.7
184.05110	2.6
191.07019	32.9
199.07567	36.9
203.08499	1.9
215.08611	8.9
218.07236	7.3
231.08075	2.7
233.09633	23.2
243.07944	2.7
246.06728	2.4
250.09941	1.9
260.08356	3.6
261.09094	24.9
262.09943	2.4
263.07190	1.7
271.07678	1.8
274.06323	7.2
275.07126	3.0
275.10568	2.3
277.08575	2.8
278.09390	8.6
289.08649	36.8
290.09454	10.1
291.06766	2.3
291.10001	5.6
292.11224	1.8
293.11670	9.7
294.81989	1.5
306.08847	7.8
307.09573	5.8
321.11234	70.4
322.12048	3.2
328.21375	1.6
353.13821	44.2
388.81049	1.7
389.61960	1.9
413.21741	2.3
413.27008	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	413.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89772	0.3
55.07410	0.3
58.06611	3.5
59.07392	5.0
59.98830	0.6
59.99122	12.1
70.06632	0.4
72.08159	9.6
81.07059	0.7
88.02223	61.2
88.11289	0.6
95.08616	0.5
98.06036	0.5
101.68001	0.4
105.07072	0.6
110.57593	0.4
116.05321	100.0
131.04976	0.4
132.05719	0.8
132.08434	0.7
160.05219	0.6
163.03920	0.6
167.07054	0.6
177.05411	0.4
191.06946	0.5
192.07834	3.1
192.13730	0.3
199.14554	0.4
250.08995	1.4
321.81818	0.4
324.07071	0.5
354.08304	6.3
361.74084	0.4
395.21622	0.8
413.15619	52.2
435.65997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44748	0.7
53.03953	6.3
54.57285	0.9
55.01880	11.3
55.05516	1.5
57.03443	6.7
61.02924	6.5
65.03981	0.8
67.05499	2.0
69.03436	33.8
70.06578	4.8
71.01331	1.1
71.04988	10.5
72.08164	4.1
73.02915	14.2
81.03426	40.2
81.07053	3.6
83.04984	5.6
85.02912	100.0
87.00835	29.8
87.04454	1.4
91.03956	3.8
91.05493	3.9
93.07048	4.5
95.04969	36.1
95.08599	6.1
97.02899	36.3
97.06544	1.5
99.04462	24.7
103.03920	1.4
103.05498	1.3
105.01871	25.4
105.07056	4.8
107.08605	4.3
109.02879	42.2
109.06516	3.5
109.10136	9.2
111.04491	1.7
115.03908	1.2
117.01852	4.9
119.08581	45.8
121.06510	3.7
121.10162	1.9
123.04436	4.0
127.03917	70.8
127.82536	1.0
128.96230	1.0
129.01868	6.6
130.24144	0.9
131.08553	5.2
131.12971	0.9
133.10114	7.6
135.04381	1.2
135.08034	12.7
137.05980	14.3
137.09618	5.1
145.04977	29.6
145.06209	1.6
145.10130	2.0
147.02859	5.0
147.04391	10.2
147.08018	1.4
149.06000	1.1
149.09599	6.3
155.08652	1.0
159.02885	30.8
159.08060	1.2
159.11732	2.4
161.09645	3.8
163.03911	6.8
163.07565	2.1
165.05487	4.0
165.09094	13.0
165.10338	1.3
165.12814	1.1
171.11662	1.5
173.09645	1.1
173.13260	1.7
175.07591	2.4
179.10681	1.4
187.14859	1.5
189.09094	4.9
189.12756	4.6
191.14256	1.0
197.13287	2.1
203.06956	1.0
207.10168	23.4
207.13712	11.3
213.03935	1.3
215.14343	4.3
219.10231	1.5
231.04936	11.9
233.15361	58.7
235.16959	1.7
245.11578	1.4
251.16435	8.6
273.11176	2.1
284.44379	0.9
291.12289	1.4
317.75104	1.0
377.12225	1.4
395.13376	4.0
412.70374	1.9
413.14145	17.0
413.21289	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	413.1421
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.79523	0.2
56.05047	0.3
56.64000	0.2
56.78358	0.2
72.08157	0.3
74.06078	1.6
81.15543	0.2
102.05550	1.0
115.03907	0.3
119.03588	0.3
120.06590	8.4
120.54192	0.2
136.06195	100.0
162.04114	61.3
268.10489	0.5
281.09940	59.3
294.08319	0.3
351.80759	0.3
413.13693	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	413.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79997	1.7
66.81822	1.7
69.03429	2.9
71.67640	1.5
72.11625	1.6
73.81901	1.8
85.02897	10.9
91.11251	1.8
97.02869	8.7
101.00893	9.9
109.02896	7.9
118.05778	1.8
118.69764	2.0
119.01917	17.1
127.03918	2.9
131.01932	2.7
139.02388	2.3
143.01897	24.4
145.03491	13.5
151.03906	49.3
155.01880	31.4
157.03490	7.1
161.02936	37.4
167.01933	10.0
169.03452	2.3
173.02943	23.2
179.01930	9.3
185.02950	30.7
187.04549	2.0
197.02948	37.6
203.04039	12.3
209.02785	2.0
215.04048	3.4
221.05054	2.6
227.03934	15.4
233.02837	15.4
245.02957	4.4
245.05055	100.0
251.03976	13.8
263.06119	14.0
265.05627	3.5
269.05051	38.2
275.04044	8.2
281.04916	1.8
287.03973	2.2
293.05035	13.6
295.06644	2.9
305.05045	33.8
311.05795	2.3
323.06018	3.1
335.06024	2.3
338.04782	2.3
353.07172	92.8
371.08279	21.7
390.09592	2.8
413.09030	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2694
Annotation	His Lys Lys
Peak:m/z	Relative Intensity
55.67088	1.5
56.61713	1.4
58.06605	13.7
59.07380	3.1
60.08158	2.8
63.79506	1.4
67.05500	2.0
68.65179	1.5
76.69188	1.9
81.07029	2.8
135.47421	1.8
144.10196	24.1
162.11250	14.2
212.14186	1.7
218.13919	11.2
236.15022	8.0
278.19269	1.8
348.79678	2.0
357.50119	1.7
394.25620	2.2
412.26926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44841	1.6
57.07089	16.7
62.17324	2.5
71.08643	26.0
76.80293	2.0
89.05511	4.0
89.06039	100.0
98.59888	1.9
110.41940	2.1
117.37493	2.0
133.08598	38.7
144.29720	2.2
152.38805	2.4
177.11237	8.8
283.17502	36.5
395.29980	62.2
412.32730	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	412.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
61.02917	0.6
69.03432	1.8
70.06606	3.4
72.08150	1.3
81.03395	0.6
85.02912	8.4
87.04424	0.5
89.03920	0.5
91.03963	0.6
97.02899	2.7
99.04482	0.4
109.02897	0.5
114.10193	0.3
127.03896	1.9
135.04401	3.6
145.02867	5.2
145.04964	1.5
163.03902	100.0
250.10756	0.5
276.36371	0.3
325.09189	8.3
411.70905	0.4
412.15604	0.4
412.20651	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	411.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47217	0.6
55.05501	0.9
61.50082	0.7
67.05512	1.0
67.15089	0.6
69.07066	1.1
74.83900	0.7
76.21944	0.7
81.07050	6.0
83.08615	2.9
91.05492	1.7
93.07050	5.3
95.08596	4.2
97.10145	1.0
105.07040	7.3
107.08626	5.8
109.10168	3.5
117.06992	0.8
119.08584	4.4
121.10155	5.4
123.11763	0.8
129.07008	1.0
131.08577	4.6
133.10129	4.4
135.11696	4.8
143.08583	6.7
144.09418	1.1
145.10126	12.0
147.11693	18.2
149.13255	1.4
153.15227	0.8
155.08643	0.9
157.10098	7.0
159.11696	30.2
161.13289	6.5
171.11716	10.8
172.12431	0.8
173.13260	8.5
175.14787	1.1
183.11720	1.0
185.13275	3.6
197.13313	5.7
199.14841	4.3
211.14859	4.9
213.16388	1.3
225.16428	3.6
238.17143	1.3
239.17944	5.1
251.17946	4.9
252.18814	2.7
252.84734	0.7
253.19507	100.0
254.20287	31.7
329.24329	0.8
349.73239	0.8
362.06589	0.8
365.22116	0.8
365.32031	1.4
393.31580	6.7
411.32581	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2742
Annotation	Asbestinin-25
Peak:m/z	Relative Intensity
54.62368	7.0
55.01877	6.8
67.46953	8.1
69.47207	7.6
71.08630	8.6
80.21223	9.4
83.04997	9.1
83.08644	12.8
91.05475	32.8
93.07042	17.0
95.04977	13.6
95.08600	16.2
99.08116	9.5
105.07052	9.3
111.04311	8.0
114.96538	8.6
119.08609	14.5
131.08585	15.2
131.77142	7.8
133.09256	8.4
133.10153	46.1
135.08037	11.6
143.08586	10.7
157.10147	8.5
161.09587	44.4
174.46927	8.3
178.03172	9.7
290.77106	9.0
301.21591	9.6
314.53775	9.1
319.22800	10.4
393.26004	11.4
411.27371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69704	4.1
55.01866	5.1
55.05510	11.1
55.37077	4.4
57.03437	10.2
67.05495	29.2
69.07090	7.1
71.08626	29.7
79.05499	12.7
80.30986	4.5
81.03431	6.1
81.07060	11.7
83.04980	10.8
83.08622	10.7
91.05485	54.0
93.07020	28.7
95.04971	22.4
95.08636	12.2
97.06540	9.2
99.08063	6.6
105.07031	34.9
107.04935	6.7
107.08612	23.6
111.08091	5.9
117.07014	9.6
119.08604	44.4
120.46399	5.9
129.06981	8.5
130.93748	5.6
131.08522	9.7
133.06441	6.0
133.10097	51.0
135.08066	6.0
143.08591	20.2
143.23363	5.0
145.10077	11.6
147.11674	9.3
151.11147	8.9
160.51180	5.2
161.09622	38.0
169.64702	4.7
171.11731	21.3
173.13211	5.6
179.10658	12.5
189.12729	7.5
204.99004	5.3
253.05197	7.9
253.14340	8.1
268.21838	5.3
293.08408	10.9
301.21597	25.5
319.22986	6.3
393.26459	21.9
401.82428	5.2
411.19452	6.5
411.27466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81178	0.5
56.74662	0.6
56.82650	0.5
59.99103	0.7
67.05467	0.5
72.04523	5.6
72.08147	1.2
74.22186	0.5
74.94379	0.5
81.07055	0.6
82.34316	0.5
83.61217	0.5
85.02916	0.8
88.02232	9.5
91.20188	0.5
100.07634	12.3
116.05318	19.8
189.11150	0.6
234.95193	7.1
236.01395	12.6
237.00368	0.8
250.98323	61.5
278.97812	100.0
295.08707	2.2
314.42548	0.5
338.05399	0.7
352.06729	13.8
370.19876	3.4
411.14093	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99111	1.3
61.14124	0.7
65.43819	0.6
65.50879	0.6
69.03433	2.8
70.06590	0.9
72.04530	5.9
81.03371	0.9
81.07037	0.9
83.81551	0.6
84.99734	0.7
85.02906	5.5
87.00814	3.4
88.02222	11.7
100.07623	12.9
100.34793	0.6
105.01879	4.9
108.39160	0.6
109.02878	2.9
116.05315	14.0
119.08530	0.7
127.03922	3.0
144.35754	0.8
177.49559	0.7
206.95692	2.9
234.95161	9.3
236.01335	14.6
250.98305	63.2
261.18420	1.0
278.97794	100.0
295.08716	1.5
352.06735	12.9
360.76123	0.8
393.25592	0.7
411.14093	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36574	0.3
53.03961	1.2
53.57555	0.2
54.29121	0.3
55.01870	2.0
57.03442	1.3
58.84966	0.3
61.02908	0.3
65.42882	0.4
69.03436	6.4
71.04994	5.4
74.01926	0.3
81.03428	24.4
81.07037	0.6
87.00840	0.8
87.04423	0.4
99.04460	9.6
117.05508	4.0
127.03979	0.4
141.05446	0.4
143.88220	0.3
145.07614	0.6
147.09164	3.1
158.96017	0.3
162.07864	0.5
163.08636	0.5
173.07143	2.7
175.08684	12.9
185.04471	0.6
191.08162	100.0
199.08537	0.4
205.09732	0.8
213.10277	0.5
214.05980	0.4
215.08163	0.4
231.11403	0.8
233.09145	0.6
271.10812	2.0
289.11847	4.9
302.38834	0.4
307.12891	14.3
325.13953	7.7
331.12888	2.1
349.13959	2.8
375.11877	12.8
393.12933	57.3
411.14075	5.6
411.19263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01867	2.3
57.03435	1.1
69.03437	7.1
69.16994	0.4
70.06580	0.7
71.04713	0.3
71.04996	5.2
72.08149	2.0
81.03425	27.8
84.04519	0.5
84.08140	0.6
85.02898	2.8
87.00826	1.8
97.02872	0.8
99.04458	10.4
105.01850	1.2
105.10402	0.5
109.02905	0.7
109.10129	0.8
117.05473	2.6
127.03905	0.9
133.48761	0.4
145.02853	3.4
145.07648	0.7
147.09178	4.8
163.03937	0.9
163.08522	0.6
173.07178	2.4
175.08669	12.3
177.05484	8.7
189.10207	0.5
191.08157	100.0
191.97571	0.4
199.08662	0.5
203.08253	0.8
205.09706	0.6
214.08633	0.5
215.11774	0.5
228.06596	0.7
231.04869	0.6
231.11305	0.8
233.09181	1.8
235.13301	0.5
243.08891	0.5
243.11308	0.6
246.07584	2.0
260.09155	0.8
268.10480	0.5
270.07648	3.7
271.10709	1.9
282.68326	0.5
289.11853	3.9
298.07172	2.4
307.12888	13.8
325.13925	6.0
331.12888	2.0
344.85938	0.5
349.13922	3.6
375.11887	12.0
393.12915	52.3
411.13748	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	411.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.01864	1.9
57.03431	2.3
58.56389	0.3
58.63605	0.4
59.87457	0.4
61.02950	0.5
68.05794	0.4
68.16689	0.4
69.03433	10.8
71.05002	5.9
72.08141	1.0
73.02914	0.5
81.02998	0.7
81.03428	10.6
85.02905	2.1
86.68151	0.4
87.00809	0.7
99.04459	7.4
105.01867	2.0
109.02872	0.6
109.10155	0.7
110.10504	0.6
117.05457	2.9
127.03883	0.5
145.07571	0.7
147.09177	1.6
163.03886	0.9
163.08643	0.6
172.84279	0.4
173.07109	2.0
175.08623	4.4
191.08160	100.0
193.49030	0.4
203.05447	0.5
213.10263	0.5
231.11284	2.0
289.11810	1.9
307.12897	43.9
313.27646	0.4
325.13943	5.8
393.12860	15.6
411.14023	15.2
411.20465	2.3
429.06940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60331	0.2
53.03958	2.1
53.23588	0.3
54.22625	0.2
55.01870	1.8
56.27431	0.3
57.03444	2.3
61.02927	0.4
69.03105	0.4
69.03436	8.1
71.04991	3.8
73.02903	1.1
75.50027	0.3
81.03425	40.9
85.02900	0.6
87.00820	1.5
92.72313	0.3
97.02853	0.4
99.04460	11.2
105.22214	0.2
117.05472	2.1
124.01661	0.3
127.03913	0.5
129.77884	0.3
135.06543	0.3
145.07677	1.1
147.09181	2.9
154.01410	0.3
162.07813	0.4
162.65665	0.3
163.08635	0.5
173.07115	2.7
175.08669	9.2
187.08664	1.0
191.08154	100.0
203.08182	0.4
205.09830	1.3
215.11752	0.5
217.31058	0.3
231.11250	0.6
233.09196	1.8
271.10760	9.1
271.13510	0.4
289.11816	2.4
307.12900	20.1
325.13882	8.0
331.12827	4.8
349.13873	2.9
357.10770	1.2
375.11859	13.3
375.16644	0.4
393.12912	42.4
411.13998	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	411.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03789	0.6
58.34986	0.5
59.60622	0.5
63.07679	0.5
69.03429	1.4
70.06584	0.7
72.08173	0.8
81.03430	0.9
85.02903	3.4
86.06057	1.0
87.00835	1.4
97.02896	0.6
99.04473	0.8
105.01845	2.7
107.08565	0.7
109.02908	0.7
111.71640	0.6
127.03896	2.8
177.05437	3.0
179.07037	4.2
185.04210	1.0
188.06105	0.5
226.87439	0.6
248.06552	7.6
249.07413	4.3
281.81491	0.6
411.12625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01870	1.0
56.18601	0.2
57.03439	0.7
61.02925	0.7
68.99780	0.1
69.03440	7.7
70.06590	0.4
71.05000	1.3
72.08152	1.4
73.02911	1.0
81.03433	10.3
84.08147	0.2
85.02419	0.3
85.02917	9.5
85.03426	0.4
87.00837	4.2
91.05479	1.9
97.02895	3.8
99.04461	4.4
100.31132	0.2
103.03942	0.2
105.01886	3.8
107.04960	0.7
107.08588	0.2
109.02890	6.0
109.10143	0.8
110.10492	0.7
114.10293	0.8
116.59361	0.1
117.05611	0.2
119.04957	2.5
123.04465	0.2
127.03924	8.8
127.11179	0.2
129.01863	1.1
135.04448	0.2
135.66644	0.2
137.07719	0.2
145.04962	2.7
147.02890	0.3
147.09212	0.7
157.10782	0.2
159.02910	3.2
163.03911	100.0
173.07054	0.6
174.96790	0.2
175.08698	1.5
177.04015	0.2
179.07173	0.2
190.07428	0.2
191.08167	15.4
203.05249	0.2
213.03979	0.8
221.06346	0.2
222.11401	0.2
231.05006	2.8
231.11281	0.9
262.20593	0.2
271.10959	0.3
289.11877	1.2
290.97842	0.2
299.92792	0.2
307.12881	4.1
325.14041	0.4
349.13922	0.2
375.11700	1.2
383.75616	0.2
393.12955	11.1
410.70071	0.2
411.09070	0.6
411.14130	0.6
411.15768	0.6
411.20975	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	410.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52694	1.1
54.47166	1.4
55.05514	1.4
57.07080	33.2
59.11061	1.2
60.74612	1.3
61.46599	1.2
64.01788	1.2
71.08630	29.5
73.06578	2.6
85.10181	24.6
89.06032	100.0
92.18472	1.8
97.10158	2.2
101.72668	1.5
124.76900	1.6
132.63805	1.4
133.08597	26.2
177.11209	6.9
239.14862	20.7
243.23149	3.1
257.04410	1.6
287.25699	3.0
349.29202	1.9
369.26358	1.6
393.32092	99.5
410.34851	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	410.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01249	0.6
54.42181	0.7
55.05518	0.9
63.49306	0.7
67.05513	0.8
69.07061	1.5
75.32870	0.7
81.07061	1.0
82.06582	0.8
83.04976	3.7
95.08624	1.2
100.18776	0.7
100.25701	0.7
110.09685	4.5
115.05876	0.9
177.33418	0.7
182.06429	0.7
184.07970	1.5
209.10092	0.8
226.12616	2.9
240.14217	0.8
241.14952	1.2
242.15680	6.4
252.14131	1.6
254.15736	33.6
306.15442	1.3
319.17313	1.4
319.38092	0.8
332.07944	0.9
358.27252	0.8
364.26721	1.2
374.24548	0.8
392.26175	39.2
410.27261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67870	0.1
56.20253	0.1
57.03423	0.3
58.06600	1.2
59.07376	0.3
60.05647	0.9
60.08173	1.4
62.33687	0.1
67.31440	0.1
68.43060	0.2
70.06593	1.0
75.04478	0.3
85.02898	0.3
87.04456	0.9
87.08070	0.1
87.10479	0.2
89.53750	0.1
115.44449	0.2
116.07085	0.8
130.09706	0.2
131.07048	0.3
158.09224	0.7
175.11899	7.2
193.98720	0.2
199.61015	0.2
236.14929	100.0
308.59085	0.2
410.26080	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	410.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
79.80845	12.1
85.10265	13.5
94.25028	12.7
94.39636	12.8
128.81667	11.9
131.00026	64.7
131.86075	14.7
155.21135	13.9
158.99533	24.7
174.99051	27.5
189.00555	63.5
199.02606	16.3
351.14877	18.9
369.15652	97.9
387.16965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03446	3.3
57.38609	1.3
61.02919	1.6
65.35831	1.2
69.03431	9.0
72.08150	2.2
73.02924	2.4
74.01639	1.4
74.46995	1.2
81.03439	9.7
85.02915	33.9
87.00840	9.8
97.02918	9.9
99.04444	6.3
103.03940	1.7
105.01877	9.5
109.02890	13.3
111.85515	1.2
111.86417	1.2
114.10253	2.2
117.01863	1.3
127.03915	15.2
129.01846	2.3
129.06987	1.6
130.06544	6.0
132.08102	2.7
143.07309	6.6
144.08102	92.1
145.04947	7.4
156.08070	21.5
157.08887	2.4
158.06070	2.7
158.09654	85.7
159.02917	10.0
160.07599	7.2
162.09169	17.1
167.07228	2.8
168.08080	13.5
170.06064	1.3
170.09621	7.7
172.07573	2.7
172.67134	1.3
174.09122	8.9
180.08340	1.3
181.08815	1.7
182.09627	9.4
184.07584	34.5
186.09149	100.0
196.07686	1.8
196.11238	5.7
198.09203	3.1
204.10214	82.1
206.09628	5.3
210.09117	5.9
214.08752	1.8
218.63402	1.4
222.09093	1.7
224.10699	10.4
228.10229	6.8
234.09174	2.4
252.10242	13.7
270.11182	8.9
288.12317	2.8
330.13608	1.7
356.11298	7.0
357.15259	1.8
369.79236	1.4
374.12247	26.0
392.13412	98.8
410.14514	5.6
410.24713	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	409.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	2.6
57.70432	1.4
70.98459	1.5
81.07085	2.2
89.97697	1.5
109.10136	1.6
184.07941	2.5
207.11429	1.8
242.15762	18.5
252.14227	3.2
254.15733	21.7
259.27692	1.6
277.78107	1.6
291.20044	2.0
306.15396	6.4
319.17252	2.2
323.18066	7.0
338.55789	1.9
353.51529	1.7
364.26935	3.2
392.26190	46.6
409.28952	100.0
409.36130	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	409.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91674	0.6
70.06614	0.6
91.78841	0.7
94.01645	0.7
99.08070	0.7
118.38090	0.7
239.61394	0.7
274.65616	0.9
354.00101	0.8
409.25638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05471	0.5
80.45113	0.5
88.75348	0.6
92.58202	0.5
128.30069	0.7
133.67770	0.6
155.63263	0.5
260.27829	0.6
339.16077	0.6
409.25629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.4
55.69131	0.4
72.56776	0.4
81.07049	0.7
95.04969	0.5
95.08598	0.8
130.28519	0.5
167.69067	0.5
206.15303	0.5
297.83072	0.6
300.89328	0.5
328.65009	0.5
366.35556	0.5
391.25223	0.6
409.25632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.9
81.07053	3.3
90.12491	2.2
93.07027	2.1
93.53529	1.6
96.13337	2.3
107.08569	2.4
107.92932	1.9
109.06558	2.0
121.48846	1.8
133.10156	2.5
135.11731	2.2
143.72267	2.0
145.10153	2.4
157.10150	2.5
159.11630	2.2
210.18597	2.1
242.22130	2.0
253.19594	3.6
409.25702	100.0
409.30893	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	409.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02974	0.4
57.44665	0.4
57.69568	0.4
57.98439	0.4
60.05648	0.8
60.40984	0.4
62.81541	0.4
69.03405	0.5
72.08161	43.7
79.62009	0.4
81.07034	0.7
89.10791	0.8
91.05463	0.6
93.07042	0.6
95.08665	0.7
97.07661	11.1
105.07050	0.7
107.08571	0.6
109.10187	0.7
114.10291	30.6
121.10094	0.5
131.12914	0.8
136.30431	0.5
201.06543	0.7
237.10229	21.7
251.11852	0.5
278.12912	7.8
279.11279	33.7
332.17584	4.8
349.20248	0.6
350.18692	5.8
375.18173	8.0
392.20792	5.1
409.08823	4.0
409.23468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2214
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
53.13336	0.2
54.37352	0.1
55.05512	0.3
58.58447	0.2
60.04499	0.3
69.03437	0.3
70.06591	1.5
72.04523	1.3
72.08160	4.4
73.06554	0.2
73.44163	0.2
74.94924	0.2
78.78591	0.2
79.69834	0.2
83.04971	0.4
84.08148	10.5
95.04997	0.3
98.09664	0.7
99.04473	0.2
101.10769	0.3
102.99497	0.2
106.68381	0.2
110.06048	0.9
112.07584	0.4
114.09170	22.5
115.08672	0.7
121.00508	0.9
121.10155	0.2
127.08665	1.0
129.01004	1.0
131.11803	0.7
137.09639	0.2
137.79459	0.2
143.11800	19.1
147.02046	0.3
147.08105	0.2
153.09131	0.3
157.09679	1.3
157.13364	1.2
164.10696	0.3
165.09082	0.2
173.12759	0.3
177.05453	0.2
180.93359	0.2
183.05701	0.4
193.13402	0.8
197.13834	0.2
201.06798	0.3
207.11401	0.2
221.12892	0.3
223.14413	2.4
225.12338	0.2
241.11075	0.3
259.12076	1.9
261.15973	0.3
275.12650	0.2
276.10928	0.4
277.18832	0.2
279.16818	0.2
293.08762	0.2
296.13864	0.4
308.16049	0.3
316.12885	0.2
321.04071	0.2
325.07227	0.3
333.15787	1.1
349.18890	2.0
355.23206	0.5
367.19943	14.9
373.24460	1.5
374.59518	0.2
391.19727	0.3
392.19394	3.1
398.62112	0.2
409.22131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2201
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
58.43791	0.5
68.95152	0.5
90.28853	0.6
105.07067	0.7
111.74970	0.5
134.18869	0.6
167.07045	0.9
335.18277	2.5
375.85022	0.9
409.21948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1795
Annotation	Tamsulosin
Peak:m/z	Relative Intensity
56.52721	0.6
58.06605	1.2
60.48465	0.6
61.64582	0.6
64.18201	0.6
67.05508	1.1
68.22283	0.6
72.08141	1.1
72.73002	0.5
81.07058	1.5
86.09701	2.5
91.05405	0.6
93.07000	1.4
95.08556	0.9
99.59457	0.7
109.10169	0.9
117.05688	0.7
119.08652	0.8
120.08093	1.1
121.06561	0.7
125.56080	0.7
130.06535	0.9
131.07320	17.4
132.08067	2.9
134.90581	0.7
136.11232	1.6
143.07327	1.2
144.08084	6.9
145.08873	9.9
157.08855	6.1
158.09627	2.7
167.07053	5.2
182.09668	3.4
183.10431	5.0
184.11217	10.0
195.10471	1.6
197.08363	3.9
198.12743	2.7
202.08629	0.9
210.12796	9.6
212.10727	23.9
212.14340	4.2
226.12323	6.4
228.10236	9.2
230.11765	54.8
238.12233	2.7
244.13361	8.9
256.13324	41.2
287.17615	6.0
391.17084	1.2
409.17947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03964	0.1
72.08149	0.1
78.04709	1.2
79.05502	0.3
81.03460	0.1
81.37812	0.1
91.05470	0.2
93.07024	0.2
95.04980	0.1
103.05456	0.1
105.03373	0.1
105.04472	0.1
105.07068	0.2
106.04173	0.4
107.04971	0.9
109.06550	0.1
114.09239	0.1
119.04913	0.1
121.06496	0.4
121.15078	0.1
122.03613	0.2
123.04437	1.9
124.05206	0.7
131.08588	0.2
133.06523	0.6
137.05977	0.1
139.07501	0.1
149.05981	0.9
151.03923	0.4
152.04726	0.7
159.08046	1.8
161.06027	0.6
166.06142	0.1
167.07039	100.0
168.07373	0.5
175.07539	0.1
177.09128	0.3
179.07027	0.2
181.04950	1.5
181.08568	0.5
187.10899	0.1
193.08604	2.9
197.14021	0.1
205.08629	0.5
211.09657	4.4
295.85007	0.1
409.18835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.3
70.06593	6.1
71.93940	0.8
72.08164	46.8
80.75336	0.8
84.08138	5.0
85.02891	1.2
85.69167	0.9
86.09692	1.8
91.05472	0.9
93.07014	1.3
94.74313	1.0
95.21230	0.8
105.07047	1.0
106.15369	1.0
106.85845	0.8
112.11279	1.2
114.10280	3.5
115.08752	1.0
123.04425	4.3
125.09623	1.3
128.72130	0.9
130.03053	0.9
131.04951	4.4
135.04420	1.3
138.09125	4.1
140.95891	0.9
141.58907	0.9
145.02820	1.6
147.04399	1.8
152.07056	8.1
163.03911	17.5
164.04219	2.0
165.10474	0.9
183.19359	1.4
193.08633	3.8
194.08978	4.6
198.07689	1.5
211.09679	4.3
212.09985	5.2
229.20065	1.1
282.23587	1.0
292.05988	1.5
293.04379	10.4
311.05554	4.0
320.05551	5.8
321.03955	87.6
322.06641	0.9
322.18668	0.9
338.06635	3.9
339.05002	27.4
350.06598	29.8
392.11276	25.3
400.20416	1.1
409.13968	100.0
409.20248	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	409.1109
Annotation	Khellol glucoside
Peak:m/z	Relative Intensity
64.60085	0.4
70.06574	0.8
80.13082	0.5
81.01331	0.4
87.79336	0.4
91.67287	0.5
92.18441	1.0
94.74134	0.6
107.04935	0.6
184.67525	0.5
185.04196	2.9
234.98987	2.6
246.04999	2.3
247.05768	1.0
261.23184	0.5
286.22675	0.5
409.11066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33731	1.9
53.63525	2.4
60.60856	2.0
65.98287	3.0
74.59770	2.1
76.40843	2.4
80.31331	2.3
100.08492	2.8
103.21814	2.6
103.68029	2.5
120.50165	2.3
130.99997	2.3
182.06352	33.0
196.08089	4.2
203.02591	2.3
252.14238	10.6
273.35162	2.4
292.13647	4.5
310.14957	3.4
321.17502	3.5
339.18613	4.5
363.48596	2.5
367.14273	3.1
390.24710	17.5
408.25717	100.0
427.85638	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	408.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.1
57.03445	4.3
59.43771	1.5
60.14046	1.6
61.02916	2.6
69.03445	30.4
69.07058	2.5
71.05006	2.5
73.02923	3.5
81.03418	20.3
83.08619	2.6
83.72966	1.6
85.02915	100.0
87.00834	33.5
95.08589	2.4
97.02894	31.9
99.04470	17.9
103.68438	1.7
105.01878	62.2
109.02898	33.7
117.01846	2.6
119.55518	1.8
126.05489	2.6
127.03061	2.8
127.03922	77.5
129.01845	4.6
145.04939	17.2
147.02908	3.5
159.02850	19.7
231.04994	21.0
249.06024	11.0
251.16440	7.2
269.71445	2.0
311.18506	3.0
315.63705	2.3
337.00562	2.3
337.16281	6.5
355.17587	3.6
408.22342	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	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78284	0.9
61.94902	0.7
62.38599	0.7
69.07069	7.5
71.04984	5.6
75.44961	0.9
76.30238	1.0
79.05499	3.5
80.81785	0.9
81.07061	15.7
83.04984	4.3
85.02908	1.6
91.05453	9.7
93.07045	90.8
95.04942	4.5
97.06528	22.8
97.36833	1.0
101.06013	1.7
104.18105	1.0
105.07024	15.4
107.08604	3.5
113.05999	4.8
119.08589	6.8
124.56391	1.0
125.05111	1.8
125.05989	40.0
125.09648	1.7
131.08539	1.0
133.10133	48.0
143.07039	100.0
147.11699	19.2
151.11163	1.7
157.10081	3.7
175.11156	10.3
193.12236	54.9
211.13255	10.2
240.57425	0.9
245.51871	1.0
408.11636	1.6
422.60352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	1.4
59.39065	0.8
70.06583	2.5
72.08121	4.9
86.09710	2.3
89.08745	1.0
99.04441	1.2
120.08085	1.6
131.07318	17.8
132.08115	2.2
144.08067	6.1
145.08885	9.1
153.64073	1.1
157.08873	6.1
158.09662	1.8
170.09738	1.7
171.10374	1.4
177.05466	2.4
182.09677	4.8
183.10425	7.6
184.11201	15.7
186.42276	1.2
197.08319	1.5
198.12778	5.2
210.12750	6.7
212.10730	21.6
212.14262	1.9
226.12279	4.9
230.11774	100.0
244.13330	21.2
256.13330	41.1
256.15411	1.0
287.17474	9.5
351.13745	15.7
365.15201	2.4
376.24197	1.2
408.19501	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	408.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28928	0.1
55.01872	0.1
57.03445	0.1
61.02945	0.2
69.03428	0.6
70.06598	0.6
72.08158	0.3
81.03420	0.3
84.08189	0.1
85.01802	0.1
85.02911	3.2
86.18972	0.1
88.11266	0.9
91.03942	0.2
93.07041	0.2
95.04989	0.1
97.02898	1.0
99.04447	0.2
100.51947	0.1
107.04969	0.5
109.02898	0.2
121.06541	0.4
123.04408	0.2
124.05183	0.2
127.03902	0.6
133.06506	0.4
135.51025	0.1
136.07544	0.2
140.84621	0.1
145.04974	0.7
145.96681	0.1
147.07590	0.1
149.05981	1.9
156.07648	0.2
161.05972	0.8
162.07608	0.2
166.06288	0.1
167.07036	100.0
171.98198	0.1
178.06253	0.2
179.06992	0.2
180.08682	1.4
181.08598	3.6
193.08617	4.2
197.94370	0.1
202.69705	0.1
211.09662	12.9
211.70592	0.1
219.96692	0.1
229.10706	23.1
246.13278	0.1
364.00723	0.5
408.18210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	0.7
62.67029	0.8
63.01642	0.7
65.06384	0.7
66.60631	0.6
69.21370	0.7
69.94844	0.7
70.06603	6.5
72.08142	4.8
80.49911	0.8
84.04503	1.5
84.05626	1.0
84.08144	1.8
85.02910	5.1
86.09727	1.1
89.10776	0.8
93.07053	1.7
95.04991	0.9
97.02848	0.9
98.06057	3.5
103.05456	1.1
105.07078	1.0
107.04988	1.8
115.14017	0.7
120.41402	0.7
121.06503	6.9
127.03932	0.9
129.10213	0.9
133.06537	1.0
137.05963	4.0
145.04951	1.3
149.05984	31.0
161.06007	5.8
163.03923	1.1
163.07536	1.6
164.04218	0.8
166.05156	1.4
167.07039	78.6
180.08713	1.1
181.08592	56.8
193.08560	1.5
195.10234	1.8
211.09654	100.0
226.07404	1.4
254.11446	0.7
255.11899	0.8
259.05457	1.8
305.05966	13.4
364.13351	5.1
408.12402	3.7
408.18353	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19242	0.3
55.01880	0.8
59.05008	3.7
61.02962	0.4
65.03948	0.4
67.05188	0.4
67.05517	8.1
69.03432	4.6
70.06588	1.0
71.04968	0.4
73.02917	0.6
73.37787	0.4
75.35484	0.4
79.05504	4.9
80.79983	0.4
81.03418	3.1
81.07061	13.7
83.08618	0.4
85.02907	12.5
86.06054	0.6
86.60574	0.4
87.00823	4.7
93.07040	0.4
95.04991	0.9
97.02892	8.6
97.10149	0.6
99.04472	2.9
100.39846	0.4
104.37069	0.4
105.01876	7.3
105.07027	0.6
107.08606	15.8
109.02887	4.0
109.10184	0.7
109.19633	0.4
115.03945	0.7
125.09636	100.0
127.03925	9.5
129.01929	0.5
131.48775	0.4
133.10165	0.6
143.07045	0.8
143.10706	0.7
145.04956	3.5
145.71010	0.5
147.11595	0.4
159.02896	3.1
161.05957	0.7
198.12093	0.4
200.81932	0.4
231.05038	2.7
235.11588	0.4
249.06090	1.9
331.15875	0.4
355.22311	0.4
408.12357	0.5
408.17804	0.8
408.22498	1.8
408.29492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.181
Annotation	MK-2206
Peak:m/z	Relative Intensity
53.60881	1.3
55.05294	1.3
55.05521	15.0
58.99596	5.1
70.06604	20.0
72.07857	1.4
72.08175	21.5
76.02245	1.7
80.32190	1.9
81.50812	1.4
83.04992	6.0
83.08186	2.7
83.08635	46.4
84.04512	15.8
84.05318	1.6
84.08146	5.7
85.02889	1.8
85.44563	1.5
86.09721	3.7
86.99065	3.0
98.06073	1.8
101.63474	1.3
110.07211	1.9
111.39451	1.5
114.10294	10.0
115.08691	2.3
116.01681	52.3
120.08101	2.5
123.04439	7.5
125.05975	2.4
129.06583	3.8
130.05023	6.2
134.95500	1.3
142.03171	2.1
143.07008	1.8
144.01149	40.5
145.02875	2.5
145.06093	2.4
147.04457	11.4
157.10805	1.7
159.08392	36.0
162.02202	100.0
163.03931	22.1
170.02719	1.6
177.05505	6.6
177.74748	1.4
210.48956	1.6
218.08118	3.4
220.09692	2.3
233.16257	2.5
234.11217	3.1
235.06024	8.2
248.14406	1.8
262.11090	40.3
279.13708	42.0
326.70602	1.6
333.14755	11.4
339.13635	2.3
342.34952	1.9
378.21469	3.7
390.16956	1.8
408.18182	28.7
408.22324	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	408.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01870	0.4
55.05519	0.4
57.03440	1.5
61.02926	0.7
61.46450	0.3
63.19000	0.3
69.03440	8.1
70.06599	3.2
71.04984	0.5
72.08150	1.8
73.02914	2.2
79.92556	0.3
81.03425	6.8
84.04512	0.7
84.08127	0.5
85.02913	10.1
86.09704	0.5
87.04485	0.7
97.02889	5.4
97.03463	0.5
97.06519	0.5
99.04440	3.7
103.03936	1.8
105.01842	0.6
109.02885	5.9
115.03923	0.5
115.05480	3.1
125.05985	1.5
127.03918	7.1
129.10234	0.6
132.08064	0.6
139.03912	0.6
142.06528	100.0
143.07257	6.3
144.08080	6.0
145.04993	1.6
158.05980	3.8
159.06757	1.4
160.07576	66.8
163.03888	2.6
164.04240	1.6
172.07622	0.6
187.06004	1.9
188.07103	0.4
195.07584	0.6
202.08696	0.5
239.36137	0.4
251.13499	0.5
294.11041	0.4
297.14621	0.4
304.11649	0.5
322.12909	5.3
364.13882	19.0
372.18231	0.4
408.12894	89.3
421.11249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81172	1.1
55.05511	4.8
56.94327	1.0
57.07087	75.2
63.43181	1.0
63.52820	1.0
65.95075	1.1
69.07061	6.7
71.08635	60.6
73.06553	2.8
80.50543	1.1
81.07052	1.5
83.08611	2.0
84.89535	1.5
85.10189	37.7
87.04496	2.1
89.06034	100.0
97.10162	2.7
97.99985	1.4
99.11736	6.6
111.11700	2.0
113.00019	55.2
113.13282	1.5
133.08597	42.3
151.09694	2.2
169.02603	65.2
177.11200	14.1
195.12331	2.2
239.14894	42.5
257.24747	4.9
301.27298	5.0
407.25171	1.8
407.33661	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48906	0.3
57.06847	0.5
57.07091	4.5
57.07330	0.7
60.94791	0.4
68.36028	0.4
92.18526	0.5
107.65775	0.4
117.06952	0.4
209.12807	4.4
216.07643	0.4
218.12909	0.5
275.17322	0.5
292.20148	4.1
293.18597	7.2
299.36108	0.4
302.18613	11.8
358.24878	2.5
376.25943	100.0
394.27155	2.0
407.24939	0.9
407.30197	17.1
407.35504	0.8
421.37735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51468	1.7
58.06590	4.8
84.08140	7.7
91.05467	2.7
93.77505	1.8
100.07600	4.5
112.07623	2.6
112.11222	12.5
127.30303	2.4
129.13882	2.8
139.26775	2.0
145.90492	2.1
199.81171	2.2
218.85571	2.0
237.10236	34.2
263.11795	22.7
279.11264	3.1
291.11343	10.4
291.14941	15.0
322.63147	2.3
333.15988	23.9
336.17139	19.5
390.21744	10.4
407.24417	100.0
420.43494	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	407.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83826	0.4
68.05034	1.0
70.06581	0.6
72.08160	49.4
81.07038	0.6
84.08165	4.3
88.19892	0.5
91.05486	2.8
93.07045	0.7
95.08579	0.5
112.11257	2.0
118.06545	1.9
146.06004	0.8
151.21358	0.5
193.08649	3.2
194.08969	4.3
200.79579	0.5
237.10236	0.9
263.11795	45.7
275.11826	2.2
277.13376	2.1
279.11526	0.8
291.11295	20.2
317.78488	0.6
318.16180	0.6
319.14413	81.3
336.17096	4.4
348.65707	0.5
389.23465	0.7
390.21707	6.2
398.19376	0.8
407.24457	100.0
407.77701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58261	0.6
54.26648	0.6
85.68812	0.6
116.05307	1.4
216.21487	0.7
407.24060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99076	1.0
72.35422	1.2
79.05451	1.1
89.01180	1.1
97.53323	1.3
113.02553	1.0
158.55846	1.2
160.07579	39.0
186.09149	100.0
187.09950	35.3
217.13429	5.7
218.14178	27.0
282.15594	1.5
407.23386	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.2
56.51762	0.7
57.03442	1.3
57.07059	0.7
60.05651	1.0
61.02898	0.8
67.05514	16.3
69.03429	7.1
69.07068	4.0
71.05001	34.3
72.08155	4.7
79.05507	3.9
81.03414	4.6
81.07068	48.0
81.07544	1.8
83.04983	1.0
83.08636	1.0
85.02915	15.3
85.06550	3.6
87.00842	5.6
91.05468	0.8
92.17834	0.8
93.07034	1.7
95.04972	1.1
95.08617	6.2
97.02906	6.4
97.06535	33.4
97.07565	1.2
97.10176	0.9
98.06019	1.0
99.04449	3.0
99.08105	11.9
105.01884	7.1
105.07045	3.3
107.04923	0.9
107.08578	1.7
109.02889	5.3
109.10123	1.7
110.39000	0.7
111.04452	1.3
113.37804	0.8
114.10294	12.3
115.08719	1.0
117.78911	0.8
119.08583	1.4
121.06499	1.0
121.10144	3.9
123.11702	14.3
127.03936	10.7
131.08565	1.5
131.12938	6.8
133.06494	1.0
133.10132	1.1
135.11644	1.9
137.05991	1.3
141.12752	30.0
145.04965	1.6
147.11771	0.8
151.03903	0.9
151.07584	3.5
157.10980	5.2
159.04414	1.1
159.08089	1.4
159.13809	10.2
161.02376	1.0
163.03903	21.4
163.11166	1.4
165.09065	0.9
167.07089	0.9
169.12268	0.9
172.18753	0.7
173.02342	6.1
175.11172	0.9
185.13129	0.7
193.08554	5.5
196.08492	0.7
202.62216	0.8
205.08662	1.1
211.09627	9.2
215.07053	44.2
218.79657	0.9
231.05115	1.2
249.14911	1.4
251.17900	1.3
253.19524	0.8
259.09677	25.1
277.10709	25.3
313.39236	0.8
327.18176	2.9
329.18765	1.0
335.14944	1.2
347.19666	1.4
348.18213	2.9
353.15866	7.1
371.16745	1.6
371.20889	1.6
372.19232	1.4
389.22125	6.3
407.22906	100.0
407.29095	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	407.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
58.06598	0.3
67.05509	0.5
69.03427	0.3
69.05822	2.6
70.06233	0.5
70.06594	12.2
71.23560	0.3
72.08157	15.0
76.57788	0.2
79.05481	0.5
83.04963	0.6
84.08142	0.4
85.02895	0.4
89.03923	0.3
89.10793	3.9
91.76271	0.3
93.03407	1.1
93.61069	0.3
95.04964	1.5
98.06064	6.4
99.06850	0.6
109.02850	0.4
110.06049	0.4
111.04443	2.5
114.10271	0.5
115.08717	4.5
117.03340	0.5
119.85331	0.3
121.02868	1.3
123.04408	2.5
127.08676	3.2
134.03580	0.7
135.04407	3.3
136.05165	0.5
137.06009	0.5
138.05424	0.3
139.03905	8.7
145.02863	4.3
147.04390	1.2
157.04968	0.6
162.03122	1.5
163.03894	100.0
164.04706	2.0
165.05522	0.4
167.08507	0.7
175.08719	0.3
176.25018	0.3
177.04065	0.3
178.04982	0.6
181.07317	0.7
182.32422	0.3
182.39760	0.3
192.06560	3.5
211.07463	0.4
221.10472	2.4
232.09694	0.4
233.10471	6.2
234.11290	0.7
250.13113	21.1
251.13936	4.7
280.16614	1.4
283.06027	0.5
303.51563	0.3
319.08115	1.8
389.17096	6.4
390.15363	0.4
407.18112	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1704
Annotation	Icariol A1
Peak:m/z	Relative Intensity
51.74855	1.6
52.41878	1.5
55.01871	3.4
79.05484	3.4
81.07059	2.5
85.02874	2.5
87.22537	2.4
91.05485	8.6
92.47790	1.8
95.04966	4.3
96.04449	1.9
103.05476	14.4
105.03397	3.9
105.07044	2.5
107.04967	52.2
109.06533	8.0
111.04433	2.7
115.05460	1.9
119.04917	2.8
120.05730	2.4
121.06519	10.4
123.04436	14.0
131.04948	11.5
133.02866	8.0
133.06497	13.6
135.08057	13.5
137.05984	44.2
138.06773	3.0
145.06491	1.8
147.04488	6.0
149.05991	4.8
151.07556	4.4
153.05475	20.9
154.06235	4.2
155.07063	9.7
161.05975	17.2
161.09612	8.0
163.03912	2.8
163.07538	100.0
165.05472	35.9
166.06203	7.7
167.07053	8.4
175.07552	3.2
177.05493	14.0
179.07066	9.2
180.07802	29.4
181.04961	91.5
181.08559	40.6
182.05710	2.3
183.06566	8.5
189.09126	10.6
191.07115	2.8
193.04947	13.4
196.07298	2.5
197.08157	4.6
207.06543	18.5
207.10121	19.1
208.07329	64.2
209.08186	3.9
225.07573	76.5
226.08321	24.9
235.09344	2.4
280.79980	2.1
313.10910	3.1
357.13528	2.9
359.14789	9.7
371.15103	3.0
389.15976	11.3
407.16888	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	407.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96842	0.8
51.06270	0.7
64.06349	0.9
68.90168	0.8
72.08151	1.9
105.07034	6.3
107.04952	1.3
121.06509	1.5
133.06491	12.5
135.08051	1.8
135.11597	0.8
137.05991	2.2
149.06027	1.4
153.82558	1.0
157.06508	1.3
157.10782	1.5
161.05992	12.9
163.07509	9.1
167.07039	40.4
175.07552	100.0
177.05455	1.4
181.04993	1.7
181.08559	1.1
185.05965	1.3
189.09138	4.2
191.07024	8.7
193.08615	62.6
205.08592	4.4
209.08087	23.7
211.09705	2.1
217.08636	5.0
225.07689	1.4
235.09662	40.1
336.70358	1.0
353.13858	2.2
371.14844	11.5
374.28784	1.0
407.22559	2.0
424.66733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32501	0.7
64.45721	0.5
70.89777	0.7
72.52341	0.6
79.05502	1.3
85.54600	0.7
91.05460	1.1
93.03423	0.8
103.05435	1.2
105.07044	17.4
107.04974	1.6
115.71411	0.7
118.04119	3.4
119.04955	2.9
123.08064	1.7
124.05156	0.7
125.05986	0.7
129.61328	0.6
129.76721	0.7
133.06497	18.4
135.08069	1.2
137.05972	5.3
139.78654	0.7
149.05959	2.4
150.06776	11.8
151.03893	10.0
151.07536	5.9
153.05444	1.4
161.06004	4.4
165.09093	19.1
167.07043	10.6
168.07811	1.5
175.35478	0.6
177.05484	0.9
178.06230	3.4
179.07037	2.8
193.08609	79.5
205.08513	2.8
211.09656	100.0
212.10408	0.9
219.46071	0.7
255.12259	0.9
314.14633	0.7
357.13220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55991	0.6
55.34756	0.7
67.05495	0.7
69.03425	0.9
70.06586	1.9
72.08162	14.1
74.02444	0.9
75.17892	0.7
85.02878	3.2
89.10793	6.4
91.05480	1.6
93.03394	1.5
95.04974	3.6
96.42820	0.7
99.86192	0.8
103.05450	3.2
105.07020	4.6
106.04185	2.9
112.07611	3.5
114.09250	0.8
115.08673	1.7
119.04994	1.0
121.06510	4.3
131.04916	6.2
132.05719	2.9
141.01866	0.8
148.05174	1.1
149.05957	5.8
151.07582	0.8
153.09099	0.9
160.05197	1.5
163.07503	1.6
167.07027	14.3
169.05057	0.9
172.03896	1.0
176.04488	1.0
177.05409	7.5
179.07069	4.5
180.07799	7.5
181.04953	1.4
181.08635	1.9
182.41470	0.7
184.03949	7.1
185.04736	8.2
188.01669	14.3
189.02467	5.5
190.03206	4.9
191.07004	11.3
192.07814	11.0
197.04468	4.2
205.48627	0.8
209.08060	5.9
216.01137	89.7
218.02696	25.5
227.04565	5.9
230.02641	7.9
234.02185	11.5
234.11246	4.4
239.04604	1.4
244.00552	12.8
261.98859	1.5
262.01678	49.4
273.03238	56.2
285.05206	5.2
293.05875	1.7
301.02856	1.0
319.03815	76.3
363.19357	1.0
390.11206	9.5
407.13852	100.0
407.18423	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	407.112
Annotation	Hoslundin
Peak:m/z	Relative Intensity
67.16013	0.3
76.68868	0.4
81.07051	0.8
85.02898	0.5
92.17832	0.4
95.08600	1.0
121.02870	11.5
169.69547	0.4
178.96365	0.4
193.48944	0.5
230.05849	0.4
251.17981	0.6
257.04395	1.8
269.08078	0.5
272.06769	2.4
274.04724	1.4
321.77448	0.4
357.07471	2.0
358.08557	0.6
375.08719	3.3
377.10147	1.0
389.10342	0.7
407.11276	100.0
407.29379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	3.8
58.42012	0.4
70.06594	12.3
71.08630	0.6
72.08146	2.0
72.91383	0.4
76.43162	0.5
84.08122	2.4
86.09691	2.9
88.07619	1.1
89.06022	2.0
114.09139	2.3
132.10182	8.6
146.11763	10.2
176.12817	2.3
176.99187	0.5
190.14400	2.4
212.23688	3.8
231.12320	0.5
238.25302	3.9
240.26782	0.5
256.26379	2.1
300.28961	65.1
312.09155	0.5
344.31564	28.3
356.67441	0.5
357.08661	0.5
406.35272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.3
69.07081	0.2
70.06561	0.2
72.08154	0.7
81.07050	0.4
85.02921	0.3
91.05515	0.2
93.07025	0.3
95.04970	0.2
95.08605	0.4
97.02910	0.3
97.06548	0.2
105.07048	0.3
107.08607	0.2
107.18793	0.2
119.04974	0.2
119.08576	0.9
121.02869	4.8
121.10119	0.3
127.03858	0.3
133.10107	0.3
137.06024	0.2
140.31645	0.2
147.04439	0.3
151.03897	0.8
157.10133	0.2
159.11638	0.2
161.13281	0.3
163.03897	1.3
167.06967	0.2
172.85094	0.2
173.09312	0.2
180.07899	0.2
181.04883	0.6
203.03372	1.3
204.58952	0.2
208.07307	0.4
209.08160	0.3
217.04921	1.2
225.01759	0.4
227.03386	14.5
243.02960	0.3
245.04672	0.2
251.03398	0.8
253.01299	17.6
259.05960	0.3
260.23080	0.2
261.03909	0.7
263.11761	0.2
269.04474	3.3
270.05014	0.2
271.02338	6.7
277.09964	0.2
289.03394	0.3
295.02414	0.3
319.14523	0.3
321.07416	0.4
345.07446	0.2
347.05478	1.6
361.06998	0.8
363.08517	2.3
389.06552	14.2
407.07629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	3.4
58.06602	0.7
70.06241	0.6
70.06598	13.0
70.22998	0.3
71.08625	2.4
72.08150	1.6
73.66939	0.3
84.08138	2.9
86.09719	3.7
86.73693	0.4
88.07623	2.2
88.87806	0.3
89.06039	1.8
103.06136	0.3
114.09153	2.5
132.10197	12.3
146.11763	11.5
176.12872	2.9
190.14456	2.5
212.23753	3.9
238.25264	2.8
240.26849	0.4
256.26389	2.8
291.45865	0.3
300.28970	64.6
344.31592	27.2
345.60318	0.4
406.35278	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	406.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
58.06593	0.5
67.05505	0.6
69.03432	2.2
69.07048	0.7
70.06596	5.8
72.08170	4.8
76.02226	0.6
81.03395	0.6
82.06578	2.2
83.08612	0.9
84.04491	1.3
84.08133	3.2
84.76746	0.6
84.98744	0.6
85.02889	2.6
86.06063	0.9
86.09724	4.1
87.04487	1.2
93.07028	0.9
97.02898	0.8
97.06519	0.8
98.06049	3.6
100.35000	0.5
101.04235	0.6
104.07052	0.6
105.07047	0.8
109.10133	0.7
110.07131	0.7
111.08078	0.6
116.07096	1.2
120.08056	1.0
122.02747	1.3
122.09681	0.6
123.08094	0.6
127.03954	1.1
128.07082	8.1
129.10242	0.6
130.04982	0.6
130.06497	1.0
132.08069	0.8
133.10152	0.7
137.05992	1.3
140.07147	0.8
142.08597	0.6
144.08076	9.5
145.04993	0.7
145.10104	0.7
153.12346	0.6
156.08484	0.7
157.08844	0.6
158.09654	11.3
158.11742	0.7
163.11269	0.7
164.10741	1.1
165.09055	0.7
167.07021	11.0
170.09645	12.4
171.10341	4.0
172.11249	0.8
177.05513	1.2
181.08662	0.8
186.11523	1.3
198.09270	0.6
201.13887	18.6
202.14696	3.4
209.08067	1.3
210.12785	0.8
212.10760	0.7
213.11494	2.5
214.12213	0.6
227.09151	4.7
228.13831	15.9
241.08397	0.8
254.15395	1.3
259.11099	1.2
262.12839	4.0
265.65295	0.6
285.19601	11.2
288.14407	1.3
319.18396	9.1
332.13278	1.0
345.19934	2.5
349.15958	0.7
361.19363	1.2
362.21704	0.9
374.10062	0.9
384.19727	0.9
388.23517	4.0
406.21552	100.0
423.91385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
58.06593	0.6
59.40527	0.5
65.56033	0.6
67.05487	0.7
69.03433	1.1
70.06599	6.0
72.08162	5.8
76.02238	0.9
81.03423	0.6
84.04509	1.1
84.08134	3.3
85.02897	2.6
86.06020	1.0
86.09699	2.4
95.04946	1.0
95.08618	1.0
97.02879	0.8
97.06495	0.7
98.06030	2.8
105.01840	1.2
108.08101	0.6
109.10136	0.5
110.07130	0.7
112.07591	0.7
114.10271	0.7
120.08034	1.0
121.10165	0.7
122.02721	0.7
123.04451	10.1
123.09200	0.6
125.10826	0.5
127.03938	1.2
128.07082	5.3
129.10226	0.8
130.04967	0.5
132.08098	1.1
137.05978	0.9
141.05475	0.7
141.09053	0.6
144.08101	11.5
146.09612	0.8
149.09644	0.8
157.08679	0.7
158.09676	12.3
158.11696	0.9
163.03909	0.8
167.06891	0.6
170.09656	16.5
171.10374	6.0
181.04892	1.3
184.11208	0.8
186.11511	2.1
201.13881	22.0
202.14691	4.8
207.06534	0.6
210.12764	0.6
213.11458	3.9
214.12329	0.7
217.16905	1.0
228.13847	18.5
230.25267	0.5
242.15378	2.3
254.15417	2.3
258.11346	0.6
259.11124	0.8
260.16479	0.6
262.12579	4.4
285.19629	16.6
288.14105	1.1
319.18378	7.7
345.19791	1.0
349.15912	1.0
361.19464	2.8
362.21500	0.8
388.23169	2.6
406.21539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06620	1.1
72.08162	19.1
75.71655	0.8
90.46935	0.9
95.08550	0.9
97.07654	1.7
101.69386	0.8
107.56954	0.9
114.10291	36.7
114.11087	1.2
115.08680	4.8
140.22049	0.8
171.15916	0.9
200.84058	0.8
203.83284	1.0
209.07916	0.9
216.06454	5.0
224.05846	0.8
234.07599	52.5
236.12814	1.3
236.14938	15.2
244.06116	1.3
244.15538	1.2
248.07039	5.4
248.09285	1.3
257.09457	1.4
258.07632	5.9
276.06131	1.7
276.08923	11.6
284.66364	1.0
328.16452	0.9
329.15036	2.2
338.25104	0.9
346.17569	5.4
347.16098	15.4
371.17212	2.1
372.15552	5.8
388.23190	1.3
389.18005	5.4
406.20724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05618	0.5
72.08161	17.9
75.56783	0.3
76.70593	0.3
89.10754	0.5
97.07669	2.6
97.64393	0.3
98.06042	0.4
98.89982	0.3
102.79118	0.3
114.10291	41.1
115.08696	5.8
115.22598	0.3
126.52408	0.3
152.07065	0.6
180.75526	0.3
188.06963	0.6
190.08632	1.5
206.08112	0.7
209.30148	0.3
216.06503	2.9
233.09178	0.3
234.07607	58.3
248.07047	4.3
248.09230	0.8
257.09274	1.2
258.07562	5.9
258.09714	0.3
268.95792	0.4
275.10291	1.7
276.06473	1.7
276.08826	13.1
287.13901	0.5
302.13049	0.3
319.14465	1.5
328.16245	0.4
329.14896	4.6
330.14389	0.7
346.17651	9.2
347.16092	17.3
364.18787	1.3
371.17203	4.1
372.15540	7.1
389.18304	6.9
406.20901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
61.02932	1.4
62.49944	0.6
69.03442	7.9
72.08152	0.9
73.02915	0.6
79.05503	0.8
81.03423	6.5
85.02911	22.1
91.05463	3.6
93.07050	100.0
95.04976	1.0
97.02888	6.7
99.04478	1.6
103.03939	1.0
107.08611	0.9
109.02888	17.3
114.09188	0.7
121.09260	1.4
121.10141	44.9
127.03915	19.2
133.05006	0.7
145.04979	5.5
149.09627	25.5
167.10675	22.3
169.04991	2.9
187.06027	13.2
205.07072	36.0
257.11603	1.0
275.12833	0.9
333.32187	0.7
335.14844	1.0
358.13608	1.0
406.18832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
53.38826	1.1
53.40671	1.2
55.01870	7.4
57.03447	3.2
61.02931	3.1
67.05503	6.4
67.16391	1.2
68.99776	1.3
69.03434	25.5
71.04990	5.7
73.02916	8.8
73.77932	1.2
74.46260	1.3
81.03432	22.2
81.07057	8.3
81.44804	1.2
84.04508	1.9
85.02909	100.0
85.03423	3.5
86.94984	1.2
87.00833	27.7
89.41131	1.3
91.05491	1.3
95.04966	1.6
97.02892	30.2
99.04462	18.0
105.01874	61.4
106.35522	1.3
108.04501	2.1
109.02883	31.5
121.10166	1.8
123.11670	2.8
126.05480	1.5
127.03918	71.3
129.01813	3.2
135.08154	1.3
136.06180	2.4
145.04935	25.2
145.10191	1.4
159.02904	17.6
189.04028	2.6
213.03978	2.8
231.04970	25.1
231.13766	2.6
249.06010	11.6
249.14764	5.7
274.25885	1.5
280.50446	1.5
309.17014	1.7
335.14896	6.7
353.15887	5.8
362.91434	1.4
406.21115	10.3
406.25510	2.2
406.30365	4.6
423.63278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55069	0.2
60.05914	0.2
61.02932	0.3
69.03433	0.9
81.03413	0.2
81.50938	0.2
85.02911	4.7
91.03953	0.3
97.02893	1.3
99.04505	0.2
107.04990	1.5
109.02965	0.2
114.95667	0.2
121.06499	0.3
127.03904	0.4
138.32484	0.2
141.87537	0.2
145.04987	1.1
149.05951	2.5
150.79156	0.2
157.22252	0.2
167.07033	100.0
177.05473	9.0
180.08676	2.0
181.08614	2.5
195.06561	1.1
209.08084	16.1
227.09132	54.2
305.09515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	4.8
55.01883	6.3
56.03933	1.0
57.03434	5.6
58.43154	1.2
61.02920	5.9
63.16982	1.2
68.99774	2.1
69.03434	22.3
70.06587	8.5
71.04993	5.2
72.08170	10.7
73.02927	8.9
81.03429	25.9
84.04504	1.3
85.02914	100.0
87.00833	28.4
87.04436	1.3
91.03946	1.7
92.18613	1.3
97.02892	34.5
98.06059	2.1
99.04482	18.0
103.03939	7.3
105.01868	39.3
108.04484	5.4
109.02888	91.3
114.09203	1.4
117.01913	2.1
124.81858	1.4
126.05498	1.7
127.03924	61.9
129.01877	9.0
133.02858	7.5
141.05475	48.8
145.04964	34.3
147.02879	3.0
147.04425	2.3
151.03857	2.0
159.02888	20.6
163.03882	1.4
165.05455	22.7
171.02859	1.9
177.04089	1.4
177.05504	5.6
183.06531	2.4
189.03952	18.2
191.07025	1.5
203.07050	3.1
207.06508	25.3
231.04640	13.6
231.06664	7.4
244.06219	2.5
248.07747	1.7
249.07730	25.1
335.07593	2.9
335.11765	1.2
338.78912	1.3
345.95386	1.4
353.08731	8.6
360.23105	1.9
364.21481	2.9
406.18988	1.9
406.23941	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	406.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51792	0.4
67.62679	0.4
69.03410	0.4
69.07104	0.5
70.06581	1.8
72.08150	2.2
80.04994	0.5
84.08101	0.4
84.31839	0.3
97.06554	3.3
98.86845	0.4
105.05777	2.5
107.08619	0.4
114.10282	1.9
121.02907	0.5
121.05225	0.8
122.06044	5.8
123.04434	0.6
133.10147	0.6
137.79749	0.4
147.04436	0.6
149.13315	0.5
150.05522	0.7
152.04700	0.7
161.05975	0.5
163.03891	2.4
167.07094	0.8
170.09680	2.5
171.10097	2.6
174.23941	0.4
191.14317	0.4
192.06589	1.7
199.09917	0.7
202.14821	0.5
210.09103	0.3
214.08615	1.6
226.08661	1.5
227.05867	0.7
227.09396	11.9
227.16364	1.9
229.07402	0.5
230.08109	2.5
241.07359	0.6
242.08110	6.6
243.08907	0.7
244.09666	2.1
245.10449	0.7
246.11391	0.5
254.08018	0.8
255.09053	3.1
256.09708	0.6
258.07663	2.2
272.09222	4.5
272.11877	0.4
273.09982	4.2
274.10730	8.6
284.09219	1.7
286.10818	0.5
288.12292	4.3
300.08765	0.7
302.10220	15.7
316.11807	41.5
318.09683	0.4
344.11334	8.4
346.09299	7.1
356.63596	0.4
388.10175	0.5
406.11353	100.0
406.20163	4.5
406.25146	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.261
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64272	1.3
70.12012	1.2
113.60095	1.2
144.53761	1.3
197.16685	1.4
291.23755	1.4
293.13742	2.6
405.26135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87736	0.4
50.89924	0.4
55.05511	0.4
59.61940	0.5
67.05507	0.9
69.07061	0.5
69.40512	0.5
73.78954	0.5
74.66328	0.5
81.07048	0.6
95.08604	0.7
117.03374	5.4
119.15787	0.5
145.02852	43.4
149.05994	2.3
177.05469	100.0
221.16005	0.5
405.26044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.80070	0.5
58.06613	0.6
64.63684	0.5
69.03416	0.6
70.06593	0.9
72.08158	3.6
73.02886	0.7
79.05485	1.1
81.03416	0.9
81.07073	0.9
84.08183	0.8
85.02904	3.6
87.00834	0.7
97.02859	0.7
103.05489	1.4
105.01892	0.6
105.07058	1.4
107.04939	3.9
109.02863	1.1
114.10316	2.1
114.95441	0.6
117.04150	0.6
119.04945	1.2
121.06491	1.1
123.04423	1.1
127.03944	3.7
131.04945	5.3
133.06520	4.5
135.04393	0.7
135.08043	0.6
135.19759	0.6
137.06010	5.2
139.11243	0.9
144.08095	27.5
145.04962	1.0
145.06506	0.8
145.08902	1.0
147.04454	3.0
151.03981	0.8
151.07588	3.1
157.12280	0.9
158.09706	1.4
159.02940	2.2
161.05978	6.4
163.03941	3.4
163.07545	8.7
167.05855	1.1
167.07039	67.2
170.09647	100.0
171.10426	28.1
172.08737	1.0
173.06065	1.0
175.07573	1.0
177.09157	1.1
179.07014	10.3
181.04967	1.3
181.08646	2.4
187.07578	1.1
189.94888	0.6
193.08598	11.3
200.08235	1.2
201.13879	4.0
202.14656	19.8
207.06483	1.4
215.06990	0.8
219.10225	1.1
225.07628	7.3
229.09834	1.2
231.05107	0.7
232.20114	0.6
243.08765	14.4
257.09323	3.9
259.07968	0.6
263.10641	0.7
319.09689	0.8
355.15472	5.7
369.13300	2.9
387.18384	4.1
396.21017	1.2
403.06696	0.8
405.20004	3.4
405.23889	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
69.07089	0.3
70.06591	0.6
72.08141	2.2
73.02909	1.8
85.02897	0.7
91.78782	0.3
92.94582	0.3
93.07014	0.5
94.23913	0.3
97.02869	0.4
101.07130	0.3
108.08112	0.6
114.10284	0.7
120.08126	0.5
132.08081	0.4
144.08087	48.7
145.08862	2.5
152.56931	0.4
157.08765	0.5
158.09610	3.7
161.05923	0.4
162.06349	0.4
167.07057	0.6
170.09639	51.3
171.10432	12.2
172.09937	0.5
172.11241	0.6
173.10794	0.6
173.12952	0.7
181.04959	0.5
187.12294	6.7
188.07091	0.8
188.13080	31.5
189.13857	3.3
196.11389	0.5
199.12363	0.6
202.14653	0.8
205.09799	0.6
213.05548	0.4
215.07042	2.5
226.16148	0.4
238.15952	0.5
240.16290	0.4
255.18463	3.8
256.17026	0.5
273.19608	6.3
275.09183	0.7
387.20016	0.4
405.23911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.1
56.05055	4.8
56.70369	0.4
57.03443	0.8
58.06597	3.4
59.94193	0.4
60.04287	0.6
60.04535	8.6
60.59288	0.4
63.44406	0.5
69.53146	0.4
70.06580	2.6
72.07753	1.0
72.08163	42.5
74.06087	64.9
83.05004	0.5
84.04499	2.3
84.08166	0.7
86.09685	1.1
87.05602	10.4
93.07050	0.5
96.01467	0.5
98.06054	0.6
101.07143	1.0
105.07050	0.7
114.09183	14.8
114.10010	0.9
114.10311	0.8
116.10743	0.5
118.08667	17.9
119.04861	0.5
122.09705	0.6
127.03918	0.8
128.10730	1.1
129.10231	0.7
131.12862	0.7
137.06001	0.9
138.09155	0.7
144.08070	2.0
155.11815	3.3
157.04976	4.4
159.11296	100.0
163.03845	0.5
169.05945	0.5
173.12869	18.5
176.04333	0.6
183.11328	3.5
184.50084	0.5
187.10789	20.7
201.09155	2.7
201.12344	10.4
207.06541	1.9
208.06873	3.0
219.13409	88.7
225.07584	0.8
225.14934	0.5
226.07932	1.9
229.11865	2.5
233.08072	2.3
243.13393	0.9
249.83487	0.5
260.16205	0.6
270.14490	2.3
288.15543	20.1
288.18741	0.8
300.19296	1.2
316.15076	0.8
319.10727	0.7
337.11536	0.6
361.11377	0.6
365.79105	0.5
369.21283	2.3
387.22391	17.9
405.11481	10.8
405.24234	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	405.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58421	0.9
55.05529	1.2
55.44083	0.9
56.05035	5.5
58.06587	2.0
60.04531	9.1
63.43502	0.7
72.07748	1.3
72.08163	45.0
74.06087	69.4
81.02044	0.9
84.04514	0.9
87.05599	10.2
101.07153	1.2
112.11269	0.8
112.21402	0.8
114.09177	15.9
118.08674	15.6
126.96618	1.0
128.10715	1.1
139.44293	0.9
155.11789	5.6
159.11299	100.0
173.12857	15.1
183.11299	3.3
187.10779	20.9
188.35155	1.0
201.12407	8.7
219.13408	82.0
225.30206	0.9
229.11766	3.1
237.53531	0.9
243.13341	1.5
270.14429	1.2
283.24869	1.5
288.15500	17.5
299.17239	1.2
329.18292	1.1
369.21344	1.2
387.22379	19.8
405.23355	5.2
405.27628	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	405.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.4
64.50012	0.3
67.98560	0.3
69.22490	0.3
70.06580	0.4
72.08166	14.3
85.02919	0.5
86.66741	0.3
89.10801	0.4
95.94427	0.3
96.70193	0.3
97.07643	2.1
98.06050	1.8
114.10296	35.4
115.08703	9.1
123.04338	0.4
131.12944	0.5
152.07080	0.7
153.10251	0.4
161.05992	1.9
163.03879	2.0
168.63538	0.3
188.06870	0.4
188.28961	0.3
203.07112	0.6
215.08159	5.7
216.06519	5.5
217.24976	0.3
221.08125	0.4
230.08090	0.3
232.11624	0.3
233.09232	34.8
257.09250	4.8
258.07547	9.1
270.11240	0.7
273.15277	0.5
274.11890	0.6
275.10254	8.7
287.13980	2.5
300.09854	0.6
301.15393	0.5
304.13019	0.4
328.16705	2.7
329.14969	22.4
339.40536	0.3
343.17557	0.5
345.19238	6.3
346.17654	10.2
354.14645	1.5
363.20248	2.4
371.17142	23.6
388.19846	8.4
396.20511	1.3
405.22470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1916
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
50.38176	0.2
50.42658	0.3
54.42147	0.2
56.14022	0.3
58.06610	0.5
66.51962	0.3
70.06601	1.2
72.08167	2.5
74.43452	0.3
79.05494	1.6
84.08147	1.2
85.02892	0.5
91.05512	0.6
95.04980	1.4
103.05477	2.2
105.07024	4.2
107.04961	6.5
109.06518	0.4
114.10290	1.6
115.05473	0.5
117.06989	0.4
121.06496	1.6
123.04403	2.6
123.08003	0.4
124.05219	0.8
125.06018	0.6
127.70367	0.3
129.61043	0.3
131.04942	7.9
133.06500	6.6
134.06015	0.3
135.04378	0.4
135.08061	1.3
137.06010	3.3
141.96722	0.4
143.04951	0.5
144.05582	0.4
144.08093	4.7
145.02899	0.4
145.06503	2.2
147.04414	1.5
147.08008	0.4
149.06000	0.6
151.02666	0.3
151.07574	3.4
152.04648	1.3
153.05452	0.5
157.06430	0.4
158.07323	0.4
159.08034	0.4
161.05978	9.9
163.03909	6.0
163.07533	13.0
165.09099	0.5
167.07039	100.0
170.09644	15.0
171.10420	4.1
172.08775	0.7
173.05951	0.7
175.07538	1.5
177.09097	2.2
179.07021	2.9
181.04945	1.4
181.08540	4.8
187.07585	2.7
193.08607	17.1
201.09088	1.2
202.14552	2.8
205.08649	1.6
207.09982	0.4
215.07030	0.6
217.08372	0.4
219.10187	3.1
220.09663	0.5
222.11130	0.4
225.07536	0.4
233.11781	0.7
237.11205	0.8
243.08719	6.2
257.09183	0.7
259.07541	0.4
263.10681	0.5
283.09521	0.4
291.10187	0.7
295.13278	0.4
323.12677	1.4
342.65424	0.4
351.12402	1.4
355.15439	10.0
357.13144	0.4
369.13245	1.9
387.13867	0.4
387.18091	6.4
396.20779	0.6
405.19171	6.5
405.23645	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	405.166
Annotation	Myxochelin A
Peak:m/z	Relative Intensity
56.05037	0.7
67.10495	0.4
73.05748	0.4
81.07056	3.0
98.09695	100.0
109.11548	0.5
115.12350	5.9
116.09893	0.9
116.10729	28.1
133.13367	27.3
137.02342	64.3
154.05086	0.5
181.77190	0.5
234.11255	11.9
251.13882	31.1
252.12350	2.7
269.14941	32.6
287.27612	0.4
387.15668	2.0
405.16537	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75249	0.7
51.01895	0.7
55.05515	1.4
57.03446	8.2
57.07085	5.9
59.14576	0.7
67.05519	1.1
71.01357	6.7
71.04988	1.5
72.04539	0.7
72.08158	5.4
77.98804	0.7
79.05482	1.8
80.25729	0.6
81.07066	3.1
83.04988	5.6
89.73856	0.8
91.05484	5.1
93.07068	8.6
95.04964	5.1
95.08604	3.6
101.06033	1.4
105.07027	3.4
107.04968	4.5
109.10160	2.9
111.04472	0.8
113.10767	11.0
114.09177	27.7
114.10078	0.9
115.08693	5.2
116.05322	1.4
118.04176	0.9
119.08588	1.2
121.06502	14.9
121.54151	0.9
123.04452	4.6
123.08079	1.7
125.05976	5.6
131.08578	1.9
131.11798	9.9
133.02867	1.3
133.10117	0.9
135.04425	4.7
137.06018	3.8
138.06750	5.6
139.07616	0.9
145.10126	3.1
146.03658	3.6
147.04443	5.7
149.06032	5.5
150.06728	5.5
151.03914	100.0
151.04984	5.1
153.05444	9.4
153.09103	19.9
156.11346	11.2
161.06010	0.9
163.03912	3.3
165.05481	4.7
166.06258	0.8
167.07062	3.8
169.18144	0.9
173.13997	10.8
175.01561	37.5
177.05447	5.4
178.06259	37.1
179.06987	1.4
181.05020	3.9
181.08604	44.9
182.28427	0.9
187.14842	1.0
191.07170	0.9
195.06529	13.2
196.07321	18.1
205.08577	1.6
209.08086	41.7
211.09625	8.6
231.07796	12.4
253.10728	7.9
269.17709	1.0
287.14151	4.7
341.95520	0.8
349.14032	1.2
355.11465	1.4
375.14377	1.0
387.14279	1.4
396.23611	1.2
405.15454	12.6
405.20306	9.4
405.28671	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	405.1547
Annotation	Nitidanin
Peak:m/z	Relative Intensity
51.23265	1.9
52.61173	2.0
59.02198	1.9
61.79630	1.9
64.58823	2.0
70.06609	2.1
77.13515	2.1
87.07820	2.0
94.11102	2.1
95.05921	2.3
105.66284	2.0
107.04964	10.4
114.09175	26.9
123.07765	2.0
123.11637	1.9
125.06053	2.6
129.07039	3.8
137.05975	20.5
142.37891	1.9
145.06531	3.3
151.03947	11.2
157.06522	9.0
159.11847	2.9
161.06003	4.4
167.07025	40.1
168.00555	2.0
171.04465	2.8
175.07570	7.8
177.05469	2.9
181.04956	100.0
187.07571	2.6
189.09180	9.2
191.07121	3.8
195.06531	3.3
201.05475	2.5
203.07092	8.4
205.08667	4.0
209.08057	3.1
209.16776	2.2
210.03917	1.9
221.08171	2.7
233.08072	33.7
235.09958	2.7
263.09189	12.8
297.11230	2.4
335.57193	2.6
337.10699	3.7
357.13419	10.8
369.13455	13.1
377.16397	2.1
387.14331	37.4
405.15717	10.4
405.24588	9.4
419.77295	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	405.1549
Annotation	Nitidanin
Peak:m/z	Relative Intensity
50.29527	1.4
54.68868	2.0
55.01872	2.2
57.44213	1.6
60.05668	2.0
69.03429	2.7
70.06595	7.3
72.08154	9.7
74.23131	1.8
76.32097	1.8
79.05503	2.7
79.74407	1.6
81.03423	8.4
81.07062	3.9
83.08659	2.0
84.48319	1.6
85.02900	2.5
91.05485	1.8
93.07026	1.6
95.04956	2.4
95.08566	1.8
107.04958	16.5
109.02915	4.0
109.06561	1.5
110.08287	1.5
114.10340	2.2
121.06495	2.6
123.04452	3.2
127.03912	3.1
129.07016	4.0
130.06383	1.7
131.04971	3.6
136.82100	1.8
137.05998	29.5
143.04930	2.3
145.06488	3.3
147.04424	3.2
151.03923	14.4
153.05513	2.4
157.06506	10.2
159.08031	3.1
161.05983	21.7
163.03972	7.0
164.07141	3.1
167.07054	48.0
167.76697	1.7
171.04420	2.9
171.06497	2.9
173.06039	2.0
174.06812	2.5
175.07555	9.5
177.05708	2.0
179.07016	2.5
181.04961	100.0
189.09048	9.4
191.07080	6.8
193.37762	2.0
195.06487	1.8
203.07103	22.0
205.08611	7.9
211.44946	1.8
219.10190	1.9
221.08026	5.6
223.07599	2.6
233.08099	39.4
247.07581	2.1
251.06905	3.1
251.09349	2.3
255.10153	3.8
263.09213	12.5
265.08591	4.0
277.08707	2.2
283.09641	14.5
293.08151	2.5
295.09491	2.9
297.11218	1.9
310.08258	2.2
315.12195	12.2
325.10941	3.0
327.12396	3.0
337.10776	3.2
351.12701	1.9
354.95056	1.7
357.13367	54.2
369.13290	9.6
375.14429	11.4
387.14203	35.4
396.17816	2.8
405.14728	2.9
405.19272	9.2
405.25021	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	405.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94613	0.4
64.61448	0.4
67.05502	0.9
72.08130	0.6
74.26348	0.5
79.05489	1.0
81.07034	0.9
91.05475	0.7
95.08606	2.1
103.05491	1.0
105.07009	3.1
107.04961	4.6
119.04937	0.5
119.08576	1.8
121.06490	1.1
122.03613	0.5
123.04431	0.8
125.06013	0.5
131.04918	4.2
133.06490	3.2
133.10098	0.6
137.05971	2.6
137.09654	0.6
143.04953	0.5
145.06427	1.1
147.04379	0.6
147.08044	0.5
149.05978	1.1
151.07545	1.8
153.05473	0.8
159.08073	0.5
161.05969	100.0
163.07521	6.1
165.09091	0.5
167.07021	56.6
175.07538	12.6
177.05464	0.9
177.09071	0.7
179.07028	3.2
180.07793	0.6
181.05075	0.8
181.08572	2.7
187.07590	2.2
189.16086	0.5
191.06995	3.7
192.07837	0.8
193.08614	8.5
195.07932	0.7
199.71753	0.4
203.07024	56.1
205.08551	1.1
212.08258	0.5
214.42239	0.5
219.10103	1.7
221.08072	26.9
223.07590	1.0
233.08095	9.6
251.06854	0.8
255.10173	1.8
262.07602	0.5
265.08618	1.0
268.07855	0.5
283.09546	4.0
307.09634	1.9
315.12250	4.9
325.10522	0.8
339.12051	0.7
355.15344	5.2
357.13300	21.5
369.13364	1.0
369.19006	0.7
375.14441	3.3
387.13974	0.9
387.18115	2.3
405.10080	1.8
405.19287	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	405.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44342	0.5
58.19804	0.5
69.21973	0.7
91.05462	0.7
95.04984	1.2
96.40414	0.6
101.20645	0.5
103.48717	0.6
107.04963	4.9
110.80998	0.7
119.04966	0.8
121.06471	0.9
123.04443	1.1
131.04941	1.5
137.05983	4.3
143.04924	1.0
147.04370	0.8
149.05991	1.0
151.03793	0.6
151.07486	2.3
153.05455	2.7
155.07069	0.7
161.05980	24.5
161.07332	0.9
163.07497	2.7
167.07031	32.6
168.51500	0.6
171.66405	0.7
175.07567	6.0
179.07008	1.4
181.04950	3.2
188.04704	4.2
191.07024	6.9
195.08069	4.2
203.07048	18.1
205.06752	1.2
205.08609	8.0
219.07983	1.0
223.07536	7.5
227.10799	0.7
233.08119	2.7
236.08136	0.9
237.09135	4.5
240.07732	0.8
241.08516	1.1
247.07471	1.4
251.06998	6.8
251.10672	0.6
252.11719	0.6
254.09430	1.3
255.10115	9.5
255.41235	0.7
264.07819	0.8
265.08664	6.6
267.10083	0.7
268.07373	1.2
269.08038	1.0
279.10342	1.1
282.08810	1.5
283.09634	24.5
293.08063	2.4
295.09555	1.4
297.11145	6.5
300.09836	2.4
307.09592	6.2
310.08533	2.6
315.12299	25.8
325.10648	9.9
327.08823	0.8
327.12198	5.5
339.12183	1.4
355.11533	0.7
357.13321	100.0
375.14407	15.3
387.14255	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	405.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12255	0.4
64.41258	0.4
70.06577	2.4
72.08161	7.8
74.06091	0.7
82.69437	0.4
84.04491	0.8
84.08144	2.5
85.02914	1.5
85.09785	0.5
86.09711	7.8
88.03972	2.2
97.02873	0.6
98.06053	0.4
108.96957	0.5
110.07153	0.8
124.46236	0.6
126.05508	1.1
127.03915	0.6
127.12312	0.8
129.06546	0.5
130.05003	0.4
130.76112	0.5
132.09332	0.5
132.10167	3.8
133.19026	0.5
137.05951	3.8
141.06642	0.5
143.11758	3.3
144.06563	6.7
153.06535	0.5
157.06358	0.5
157.08363	10.6
159.11244	1.8
163.57721	0.5
167.07011	0.5
171.07735	0.5
181.04945	2.6
185.07840	5.3
189.08742	3.3
189.12386	4.0
199.07152	4.2
199.09431	0.8
203.07056	0.7
205.11790	1.0
217.08255	2.9
233.08092	2.4
234.99062	0.6
256.09216	1.7
274.10382	0.7
282.18170	0.8
301.12631	1.9
309.12146	0.5
319.13620	24.6
343.13763	0.7
361.14682	35.9
369.17648	0.5
387.14056	0.6
387.18857	1.8
405.13654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04516	0.4
66.46214	0.3
66.80917	0.3
67.42928	0.3
70.06583	0.7
72.08155	1.5
78.68410	0.4
81.17270	0.4
84.08154	2.5
85.02938	0.4
85.14321	0.3
86.09688	1.7
92.40987	0.4
97.02731	0.4
99.31050	0.4
102.05518	0.7
127.12299	0.4
132.10246	0.5
144.38779	0.4
146.30432	0.3
148.85648	0.4
151.54266	0.4
154.36040	0.4
157.08365	10.0
165.31020	0.5
167.07002	0.4
181.04753	0.4
185.04245	0.9
185.07872	6.1
199.09412	0.7
216.98007	0.6
217.09546	0.5
227.05110	0.5
233.08060	1.4
234.99034	4.5
285.13168	0.7
301.03732	0.5
301.12564	1.9
319.04907	2.9
319.13638	25.0
343.13550	0.4
361.14691	37.2
387.14313	0.4
387.19070	0.5
405.13678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0972
Annotation	Cnidimonal
Peak:m/z	Relative Intensity
55.05515	0.3
67.05497	0.3
69.03435	0.2
69.07072	0.4
75.82343	0.2
76.04002	0.2
81.07057	0.8
83.08610	1.0
85.02907	0.2
95.04974	0.2
95.08624	0.2
97.02898	0.2
97.06535	0.3
107.04987	0.3
107.08631	0.2
109.10168	0.3
119.08586	0.3
121.02872	8.1
127.03871	0.2
131.04985	0.2
133.10144	0.3
137.06000	0.3
145.02766	0.2
149.05998	1.4
151.03944	0.2
161.09529	0.2
163.03918	1.1
167.07033	0.4
173.05986	0.3
176.96942	0.9
181.04953	1.0
183.46609	0.2
201.05493	0.9
227.03381	4.5
233.08107	0.4
242.05775	0.3
243.06660	0.4
245.04404	1.3
258.11496	0.3
266.46255	0.2
269.04514	0.3
270.05191	0.6
277.72440	0.2
283.20172	0.2
287.05603	1.4
321.07553	2.0
322.98993	0.2
345.07614	1.4
345.14307	0.3
363.08646	17.1
369.42004	0.2
387.14764	0.2
389.87335	0.2
405.09720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.2
57.03437	13.2
57.07066	2.8
67.05243	2.1
67.05517	38.8
69.07058	13.1
70.24163	2.2
71.08627	17.1
79.05502	21.0
79.74829	2.2
80.08726	2.0
81.07066	52.8
83.04978	4.1
83.08633	17.0
85.06519	3.3
91.05473	11.5
93.07041	37.3
95.04955	4.1
95.08627	17.7
97.06541	8.1
97.10158	3.9
99.08093	10.9
100.11304	2.4
105.07027	9.0
107.08604	26.4
109.10170	9.2
111.08119	2.7
117.07035	8.8
119.08605	5.6
121.06486	3.0
121.10133	14.0
131.08585	5.4
133.10150	13.4
135.08020	2.9
135.11700	9.2
144.91241	2.2
147.11600	2.8
149.13246	18.7
151.11226	9.3
159.11700	18.8
161.13199	5.1
163.11301	2.4
165.12700	2.9
165.15971	2.4
173.11700	3.3
177.12732	18.8
179.14314	5.4
188.99944	2.3
195.13831	3.8
227.12851	5.0
232.61621	2.2
259.20566	3.3
269.14554	3.3
269.17474	100.0
277.21625	18.0
294.31488	2.6
351.20752	3.0
351.25232	44.0
369.26828	3.1
404.27783	8.0
423.52789	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	404.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.8
55.58678	0.6
63.02374	1.4
64.59921	0.6
65.03938	0.8
70.06580	1.2
72.08160	1.4
77.13057	0.8
84.08151	1.1
86.09715	0.8
89.03918	2.7
100.07629	22.5
110.09671	3.1
115.05433	0.8
117.03342	0.9
117.05749	1.1
126.12798	100.0
128.14372	0.9
130.06563	0.9
135.04378	1.6
145.02881	1.6
146.06017	1.0
154.12360	0.8
160.07564	3.4
161.06038	1.0
163.03905	50.0
169.13463	0.9
170.06027	1.0
171.14944	9.3
184.07594	1.0
186.09157	3.4
193.08633	0.8
196.11221	3.1
202.11023	0.9
224.21214	1.7
225.19600	1.8
234.11246	1.5
242.14864	0.9
242.22290	18.9
333.18100	1.1
334.24652	0.8
386.16147	1.4
404.25436	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05487	0.3
55.01873	0.3
58.46437	0.3
69.03430	1.4
70.06593	1.7
72.08160	2.0
75.72153	0.3
81.03419	0.6
84.08152	1.9
85.02927	4.5
86.09690	0.5
87.00822	1.5
87.04440	0.4
89.03907	0.3
96.96553	0.3
97.02891	3.6
99.04468	0.5
100.07626	27.2
105.01872	2.1
109.02864	1.3
110.09656	2.5
112.11308	0.4
117.03432	0.3
120.07983	0.3
126.12795	100.0
127.03915	3.8
128.14369	1.3
135.04424	1.5
145.02803	2.4
145.04982	2.0
145.08444	0.5
146.56920	0.4
154.12283	3.2
159.02914	1.2
163.03905	32.1
163.07503	0.6
169.13354	3.3
170.09543	0.4
171.13451	0.6
171.14926	11.1
175.03909	1.5
183.18623	1.4
195.75958	0.3
207.06503	3.1
224.21280	2.0
225.07394	1.1
225.19592	5.3
231.05000	0.7
234.11249	0.6
242.22264	21.6
248.58824	0.3
263.47681	0.4
278.80591	0.3
307.42303	0.4
312.44186	0.3
323.01352	0.4
404.25446	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22923	1.0
55.05520	1.2
58.33342	1.1
69.61465	1.4
70.67249	1.2
72.04525	24.9
72.08163	2.1
72.51111	1.1
79.05492	1.6
81.07037	2.1
87.09265	1.5
88.02211	6.2
98.06026	1.9
99.05078	1.1
100.07627	100.0
103.66805	1.3
116.05327	11.9
120.64398	1.4
135.43190	1.5
144.08076	2.9
158.09586	6.1
166.12234	1.8
170.09686	15.0
171.10486	2.0
184.13315	2.6
187.12297	6.6
194.23047	1.4
202.14598	1.7
204.08395	2.1
216.83064	1.3
219.09502	6.4
319.17188	11.9
378.83350	1.5
388.76898	1.8
404.19495	5.6
404.23508	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82144	0.4
51.70755	0.4
58.06598	0.8
58.12943	0.4
61.61326	0.5
140.51381	0.5
160.07579	35.8
161.08336	0.8
174.09135	0.9
175.03993	0.6
186.09149	100.0
187.09932	34.3
202.10991	0.7
217.13438	4.5
218.14160	25.8
404.21823	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	404.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04582	0.4
57.95218	0.4
63.05148	0.4
69.97399	0.5
73.65266	0.4
84.05635	84.4
85.02911	1.1
85.06399	0.5
86.09713	0.6
87.04462	0.6
95.08614	1.1
97.02887	0.6
110.07176	2.4
121.45768	0.5
127.52045	0.4
141.96655	0.5
157.41896	0.5
165.09122	0.7
168.07664	0.7
178.13377	6.0
206.12889	2.1
224.13934	59.8
242.14987	67.0
287.10706	0.5
295.09650	0.5
359.54523	0.5
403.56210	0.4
404.15369	5.5
404.20267	100.0
411.95593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
53.80573	0.3
55.05519	1.7
56.52677	0.4
65.27231	0.4
70.06596	19.0
79.05497	9.0
79.70255	0.4
81.07059	0.9
85.02938	0.8
91.05476	7.7
93.07046	100.0
95.04957	2.7
104.10733	1.7
104.43412	0.4
105.04493	0.4
105.07048	6.1
106.07887	0.4
109.02892	0.7
112.07621	0.9
115.08698	2.9
119.08583	1.9
121.10143	78.6
123.08064	1.7
125.40825	0.4
127.03898	0.9
130.08649	5.5
133.07597	0.5
161.09621	7.7
168.07402	0.4
181.09737	2.6
185.57863	0.4
226.11891	0.7
227.10172	0.4
274.12781	2.1
334.39175	0.4
404.21878	1.6
404.26599	11.9
404.31549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22003	0.5
50.51803	0.5
51.62561	0.5
60.95997	0.6
61.02941	1.3
61.40608	0.6
69.03410	1.0
80.15163	0.6
81.03411	0.9
85.02912	16.1
89.64635	0.7
89.66598	0.6
91.03928	0.8
91.05489	0.6
97.02893	2.9
109.02910	1.0
119.04942	8.6
123.04386	0.6
127.03933	2.7
142.93462	0.6
145.04979	2.6
147.04434	13.4
157.03964	0.7
175.02376	1.6
175.03905	48.4
180.08636	6.4
192.04170	5.3
193.04965	3.7
196.81055	0.6
207.06528	100.0
225.07570	58.4
385.07925	0.7
415.22760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95963	0.2
58.74839	0.2
61.02936	0.4
62.58315	0.2
67.32347	0.2
69.03434	1.3
70.06586	1.7
72.08164	0.4
81.03431	0.5
84.08125	0.5
85.02908	5.1
86.09692	1.2
87.04431	0.3
89.68058	0.2
91.03947	0.3
91.05488	1.4
97.02898	2.7
99.04449	0.3
105.01845	0.2
109.02909	0.4
112.07635	0.4
112.40759	0.3
119.04937	7.3
121.42100	0.2
126.05456	0.3
127.03903	1.9
136.06171	0.3
138.09140	1.2
145.04965	1.5
147.04410	11.0
149.09511	0.3
154.08582	0.2
156.10229	1.3
157.03986	0.9
162.07578	0.3
172.11266	0.3
175.03897	52.7
180.08652	3.6
183.06569	0.4
192.04155	5.6
207.06522	100.0
225.07564	53.7
228.21899	0.3
242.10222	0.4
363.64478	0.3
404.07300	0.3
404.14825	0.3
404.22827	0.6
413.03748	0.3
417.40158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62686	0.4
81.03435	0.7
85.02883	1.8
85.37399	0.4
92.18471	0.9
99.04464	0.7
118.06022	0.4
123.08035	2.4
127.03904	1.9
167.07019	0.6
197.08437	0.8
199.06277	0.5
207.06599	0.5
208.07568	1.6
210.05505	1.8
211.06282	0.7
212.07056	2.9
214.05057	0.6
215.09714	0.5
224.07156	2.4
225.07790	4.9
226.08586	2.1
228.06519	5.3
229.07385	0.8
236.07069	2.2
238.05037	0.6
239.05869	0.7
240.06549	3.2
240.10255	0.7
242.08127	6.3
243.08949	2.4
252.06627	1.1
253.07327	5.1
254.08086	3.8
255.09030	0.8
256.06067	7.6
257.06787	2.7
264.06650	0.9
268.09702	0.9
270.07605	10.3
271.08383	26.2
272.09204	9.0
281.06842	2.2
282.07556	1.0
284.09213	0.6
285.06525	1.0
285.10001	2.6
286.10748	6.6
296.09164	4.6
298.07120	0.8
299.07950	2.9
300.08640	4.6
312.08688	0.8
313.09363	0.7
314.10229	26.4
324.08652	3.1
340.08118	1.7
342.09549	1.6
344.07709	6.0
358.09064	0.7
361.07837	2.1
368.07516	0.6
376.10059	1.9
386.08737	1.0
404.09760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92165	0.3
52.81388	0.2
53.91873	0.2
54.39097	0.2
57.33862	0.2
59.99118	12.8
60.31573	0.2
66.87152	0.2
69.07075	0.4
72.08154	0.5
77.57047	0.2
88.02220	59.5
96.08120	0.8
109.10169	0.9
110.93626	0.2
114.09156	4.3
116.05318	100.0
122.81483	0.2
127.08835	0.3
131.23347	0.2
135.11702	0.4
137.09625	0.3
160.77156	0.2
179.01645	0.2
193.15842	0.3
209.16521	0.5
211.16998	1.7
228.16136	0.3
316.46649	0.2
320.50885	0.2
340.26004	0.3
340.75784	0.3
404.08255	6.1
404.22647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45875	0.7
57.07082	4.0
61.02925	1.9
66.86219	0.7
68.99790	2.0
70.56313	0.8
84.44465	0.8
111.00803	4.5
129.01846	100.0
139.00272	24.2
151.52139	0.8
157.01332	27.1
185.08099	23.0
213.07655	8.4
217.03462	9.8
259.15402	18.8
269.13928	1.6
273.09628	5.6
294.92453	0.9
329.16168	1.5
346.43866	0.8
361.22339	1.3
414.73218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72511	0.4
58.72095	0.4
62.07814	0.5
86.09689	0.6
113.52879	0.4
120.08118	0.7
126.12814	0.7
144.08086	83.7
145.08842	6.6
158.09636	2.7
167.06964	0.6
170.09642	76.7
171.10416	15.5
173.10767	2.6
187.12334	4.6
188.13089	29.9
224.10663	1.1
232.04292	0.5
269.16348	1.1
273.08633	0.6
282.31012	0.5
287.17612	6.1
375.08734	0.5
390.59787	0.5
403.08130	4.6
403.18640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1749
Annotation	Lariciresinol acetate
Peak:m/z	Relative Intensity
52.89949	0.3
54.28685	0.3
54.94080	0.3
68.16933	0.3
72.08138	0.5
78.04706	0.5
79.05479	0.6
89.51350	0.3
103.05427	0.4
104.34435	0.3
105.07039	7.0
107.04933	1.6
115.05448	1.7
123.04389	1.1
124.05145	0.4
133.06502	10.6
137.05988	0.4
143.06009	0.4
149.05974	0.6
161.05966	16.3
167.07030	100.0
173.23581	0.3
179.07050	0.3
181.08514	0.5
193.08600	22.7
201.05450	0.5
211.09631	4.9
253.08731	0.3
263.07004	0.4
313.10938	0.3
323.09097	0.5
355.11734	1.8
373.12735	1.8
384.99924	0.3
385.40775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1394
Annotation	2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
51.62878	1.0
55.01882	1.3
55.05561	0.9
60.29031	1.1
72.08146	2.7
79.05486	5.1
83.04988	1.4
84.04528	1.5
85.06545	1.2
91.05478	1.6
92.17722	1.9
93.07065	1.5
95.04947	4.3
95.08595	1.7
99.08125	1.4
101.28307	1.1
105.07037	8.6
107.04955	8.3
107.08584	1.6
121.10110	1.2
122.09670	2.4
123.04408	2.3
127.03958	1.2
131.04924	2.5
135.04425	2.6
140.04709	1.4
145.06493	4.3
145.21239	1.2
153.05484	4.9
160.05222	2.1
161.05997	1.7
163.03995	1.2
167.07034	100.0
167.76050	1.0
173.05992	8.2
175.07568	2.3
177.05493	5.4
185.90833	1.2
186.03000	1.4
186.09204	1.4
188.10707	1.7
189.05437	2.6
190.35890	1.2
191.06973	2.3
201.05438	21.6
203.07056	5.3
204.04228	5.6
207.06483	6.5
207.08174	2.0
213.05505	4.5
219.06514	13.5
228.08383	1.4
231.06544	9.1
233.12865	2.1
235.07605	7.5
251.04585	1.4
251.07014	2.3
252.07776	2.1
253.08488	1.5
263.07089	6.1
267.10214	4.5
277.08633	2.4
280.07224	2.7
292.07227	1.5
293.08139	1.2
295.09564	5.6
297.07660	1.4
305.07941	1.5
312.09998	1.6
313.10767	2.3
321.07657	2.0
323.09100	2.5
325.07257	1.3
327.12088	1.4
337.10596	2.3
340.09512	5.9
349.23795	4.4
353.10159	1.7
355.11667	23.2
358.10440	5.7
367.11694	1.6
373.12756	20.9
385.12689	11.5
403.22693	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	403.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07977	1.2
58.33330	1.4
59.05011	1.4
68.99816	11.1
75.48495	1.6
79.05493	5.5
85.02927	1.8
86.09719	2.5
86.37116	1.5
89.06010	1.6
91.05485	24.7
92.61636	1.5
94.04193	2.0
95.04968	7.1
103.05488	2.6
105.07031	7.9
107.04943	8.0
111.04502	1.9
115.05444	2.1
117.07030	7.8
118.04118	1.7
119.04946	22.2
121.02897	2.0
121.06509	2.2
123.04439	2.0
123.07944	2.3
124.96220	1.7
125.06036	3.1
133.06506	9.1
135.04434	8.3
137.06000	34.2
139.07582	2.9
144.08119	3.2
145.02861	1.7
145.06453	10.3
147.04428	22.8
151.07550	7.6
151.63582	1.9
153.05487	3.5
154.06299	1.5
159.04457	1.6
161.06018	11.9
162.06732	20.3
163.03902	27.3
165.09059	2.9
167.07047	33.0
169.05028	2.9
170.09630	7.4
173.05980	6.3
175.03957	1.9
175.07603	2.5
177.05511	3.6
179.06990	13.9
180.04208	11.4
181.04947	6.3
181.08588	1.6
184.07515	1.5
188.08345	1.8
189.05493	6.1
191.06984	2.3
193.08620	13.8
195.06560	22.1
198.05550	2.3
201.05508	2.3
208.07195	2.5
211.09534	2.9
212.07202	1.6
215.81718	1.7
217.04980	7.7
223.06009	100.0
231.06494	6.0
233.08107	9.5
234.06888	2.2
235.07526	2.6
240.06551	1.9
241.08572	2.9
242.08157	2.8
247.07568	1.9
248.89052	1.9
249.07593	12.9
249.09662	2.5
261.07770	2.5
263.07080	9.6
265.08643	3.0
267.10074	1.6
277.08691	7.8
285.12198	1.7
288.08514	2.6
293.08286	1.7
294.08893	1.8
297.11240	1.6
297.38043	1.6
299.10028	2.0
301.11026	3.0
307.09879	2.4
313.11652	9.9
315.09457	8.2
321.07458	1.7
329.13989	1.8
331.12900	20.7
353.10281	16.3
355.11722	7.8
359.12466	7.1
367.11661	1.8
371.11246	22.7
371.15076	5.4
373.12836	6.2
375.14749	10.5
385.12802	5.3
386.24738	2.7
403.11417	73.9
403.18015	11.3
403.23242	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1387
Annotation	5,6,7,3',4',5'-Hexamethoxyflavone
Peak:m/z	Relative Intensity
56.74981	4.2
86.94511	5.3
111.12930	5.4
111.64357	5.3
112.97315	5.3
115.17527	5.9
115.90762	5.4
115.94604	6.2
122.06033	31.4
132.41191	5.3
134.09624	9.0
146.09737	7.7
167.07022	12.9
170.09583	7.4
171.10013	13.2
181.04967	9.3
213.23610	5.4
226.12248	6.3
255.14961	29.8
270.11163	8.6
325.68561	5.9
327.08945	5.7
328.09415	7.1
329.10114	7.0
342.11011	13.8
343.11728	12.7
359.11374	10.6
373.09094	27.3
387.10690	7.3
403.13885	100.0
403.20276	50.8
403.25806	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	403.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58619	0.7
65.35947	0.9
75.27186	0.9
87.56759	0.9
107.04972	3.8
109.06590	1.0
115.05422	1.2
123.04451	1.3
137.05966	1.9
145.06398	1.4
151.03986	1.0
153.05409	1.4
155.06866	1.0
160.05220	2.1
161.06017	1.2
167.07040	100.0
173.05994	7.7
175.07535	6.1
177.05475	1.9
179.07074	0.9
191.07095	1.5
201.05478	10.0
203.07063	4.5
207.06477	4.1
207.08156	1.4
213.05525	2.2
219.06537	6.2
231.06522	6.6
235.07506	4.1
247.07516	1.3
251.07036	1.8
252.07823	1.0
263.06976	5.4
267.10181	3.7
276.07928	1.0
278.33893	0.9
280.07306	6.1
281.08066	3.7
293.08017	0.9
295.09662	2.2
305.08453	0.9
308.06772	1.6
309.07730	1.0
311.26730	0.9
313.10657	3.6
316.11844	1.0
323.09192	4.2
327.12506	1.3
337.10962	1.6
340.09485	4.1
341.10245	3.6
353.10135	1.4
355.11728	25.3
358.10507	5.9
362.33725	0.9
367.11832	4.4
373.12814	27.0
379.53400	1.0
385.12781	8.5
410.19458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1388
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
56.32959	0.5
60.16562	0.4
68.07706	0.4
75.23756	0.5
77.59824	0.4
79.05511	0.7
91.05466	1.0
95.04951	0.8
105.07060	2.2
107.04987	3.7
113.38268	0.5
115.05447	1.0
119.04960	0.5
121.06462	0.7
123.04405	1.2
124.05211	0.7
131.04921	1.1
133.06512	3.3
135.04408	0.7
137.05992	1.0
140.04701	0.9
141.20522	0.5
143.04892	0.9
145.06497	2.3
147.08008	0.6
151.03941	0.9
152.04724	0.8
153.05466	2.8
159.04393	0.6
160.05219	1.2
161.05981	6.3
163.03935	0.6
167.07042	100.0
173.05994	4.5
175.07573	2.9
177.05482	1.2
181.05000	0.8
186.03102	0.7
189.05492	1.0
191.06984	0.9
193.08621	6.9
201.05476	5.8
203.07028	4.0
207.06537	3.1
207.08179	0.8
211.09726	2.0
213.05504	2.7
219.06416	3.9
221.05954	0.7
223.05959	0.5
231.06482	3.9
233.06094	0.8
235.07567	4.8
247.07355	0.7
251.06999	0.8
252.07776	0.9
253.08595	1.2
262.06277	0.6
263.07013	5.5
265.05261	0.6
265.08560	0.6
267.10107	1.0
277.08594	1.1
279.06570	0.9
280.07401	1.0
281.08136	1.1
291.06580	0.8
292.07187	0.6
295.09708	3.1
297.07602	1.1
305.08130	0.7
308.06833	0.9
309.07455	0.5
313.10846	2.0
321.07468	0.7
322.08469	1.0
323.09210	2.7
325.06906	0.9
335.09448	0.7
337.10751	2.1
340.09521	3.7
341.10291	0.8
353.10251	0.9
355.11758	16.6
358.10620	3.1
367.11862	2.5
373.12827	17.6
385.12619	4.7
403.13684	0.8
413.47345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25369	0.4
52.67960	0.3
53.17424	0.3
62.45319	0.4
68.68305	0.4
72.08163	0.8
74.75961	0.5
79.05515	0.4
81.03418	0.5
85.02892	0.5
86.09703	0.7
93.07057	0.5
97.02895	0.4
103.70941	0.4
105.07046	0.9
133.06479	0.9
134.79773	0.5
137.05995	0.7
144.08098	10.7
144.09865	0.5
151.32321	0.5
154.06560	0.5
158.09613	0.5
159.23499	0.5
160.07617	0.9
161.05981	2.7
167.07043	15.4
170.05916	0.7
170.09650	40.6
171.06764	3.3
171.10439	12.1
182.06032	3.8
183.06804	0.9
184.07724	1.3
186.09164	1.6
193.08620	3.5
198.05528	6.8
199.06297	63.6
201.13896	0.6
202.14677	11.9
204.12500	1.5
204.78522	0.4
206.26581	0.4
209.04700	0.6
210.05545	4.3
211.09671	0.6
212.07079	2.1
213.07877	0.8
214.08678	4.1
220.46388	0.5
227.05760	18.9
240.06592	2.2
242.08118	100.0
255.06535	0.7
270.07611	67.7
288.08774	2.1
289.19131	1.6
313.10797	0.5
403.11359	81.8
403.22247	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35629	0.5
55.05537	1.6
57.03432	0.5
67.05515	0.8
68.05009	0.6
69.03416	1.4
69.07076	23.4
70.06594	100.0
71.04967	0.5
77.78090	0.5
80.64661	0.5
81.03399	1.1
81.07031	0.6
85.02882	3.5
91.99318	0.5
95.04939	0.7
97.02860	1.0
99.04446	1.0
109.02885	5.2
110.06022	3.5
111.04406	0.6
112.07602	5.8
127.03923	5.0
128.07079	5.7
130.08640	19.5
133.94730	0.6
145.04948	1.2
172.09576	0.6
180.17471	3.1
187.05933	0.8
205.07086	0.6
228.62408	0.6
232.11794	2.3
256.11807	1.3
274.12875	9.0
292.13803	4.0
294.07809	0.6
402.24872	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
58.06590	0.5
72.08144	0.4
78.44899	0.3
144.08092	24.9
145.08881	0.8
148.21431	0.4
151.01862	0.4
158.09631	1.5
170.09647	100.0
171.10426	29.1
176.17459	0.3
187.12334	0.5
201.13879	5.1
202.14658	22.0
234.46214	0.4
246.89978	0.3
289.21170	0.4
397.24002	0.4
402.23895	72.6
405.85480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19831	0.3
51.20569	0.3
58.06594	0.9
70.06584	0.9
87.46955	0.4
89.53028	0.5
93.81828	0.4
94.32175	0.4
119.87449	0.4
143.17326	0.4
144.08095	28.4
145.08870	0.8
170.09651	100.0
171.10429	27.2
171.11618	0.6
187.12349	0.6
201.12302	0.6
201.13864	4.5
202.14667	21.9
223.49762	0.4
241.75549	0.5
292.25372	0.4
402.23914	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	402.2027
Annotation	31F508a2
Peak:m/z	Relative Intensity
50.13614	0.4
50.15026	0.4
53.60423	0.5
57.99241	0.4
64.97650	0.5
66.37175	0.5
70.06606	0.4
71.04989	0.5
72.08160	0.8
76.98596	0.5
86.09685	0.8
100.07619	0.7
106.93178	0.5
107.50447	0.5
113.46748	0.5
126.12842	0.7
130.24220	0.5
144.08102	77.1
145.08887	4.0
148.07611	1.1
158.09679	2.2
161.81784	0.5
170.09659	70.2
171.10429	13.0
173.10919	0.6
187.12305	8.2
188.13113	29.3
224.10678	3.0
255.36385	0.6
269.16617	3.7
287.17554	0.5
327.28192	0.5
331.98587	0.6
379.51422	0.5
402.20261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75035	0.3
57.03449	0.4
57.04564	0.4
58.20332	0.3
59.55658	0.3
61.02927	0.3
69.03429	1.9
70.06595	0.5
72.08150	1.4
73.02917	0.3
84.05634	66.0
85.02907	3.2
85.06384	0.6
87.04485	0.5
87.19701	0.3
94.61314	0.3
96.05619	0.7
97.02876	1.6
102.92530	0.3
108.08130	0.6
109.02878	0.3
110.07150	0.4
119.08608	0.4
127.03893	0.4
128.13850	0.3
129.10255	0.4
136.07550	0.4
176.11856	2.7
178.13385	3.0
180.10194	0.6
194.12875	1.7
205.09872	0.4
212.02579	0.3
212.04732	0.3
222.12379	11.6
240.13423	100.0
272.44925	0.3
282.14490	0.5
402.18713	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	0.2
58.52957	0.2
64.04913	0.2
72.08168	1.7
72.08474	0.3
77.18011	0.2
84.08133	0.3
102.09150	1.5
118.06882	3.2
127.27058	0.2
130.45163	0.2
144.08095	8.8
145.08823	0.3
148.07491	0.3
154.08582	1.0
158.09622	0.3
158.76645	0.3
170.09645	9.0
171.10414	1.9
172.07111	0.3
173.10593	0.3
180.99512	0.3
182.00386	0.2
184.97247	4.2
187.12297	0.5
188.13091	3.3
196.97314	1.8
198.98839	1.9
237.08176	0.2
240.01482	0.5
265.07669	13.9
269.05383	46.8
270.06183	4.9
284.04037	0.3
296.04108	1.2
298.05640	16.6
298.09045	0.6
303.00195	0.3
312.07220	45.3
314.05063	0.4
326.61249	0.2
340.06732	5.4
342.04660	16.3
356.06351	0.5
384.05569	1.9
402.06775	100.0
402.20264	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	401.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	1.6
55.05528	12.7
57.03440	1.9
57.07086	100.0
58.98323	1.3
67.05523	21.9
69.03439	20.1
69.07069	21.2
71.04996	3.4
71.08637	77.9
79.05460	1.6
81.03430	25.8
81.07063	46.8
83.08633	35.8
85.02905	30.0
85.09704	2.5
85.10189	50.5
95.08616	74.6
97.02906	18.0
97.10175	17.0
98.97598	1.3
99.04443	9.8
109.02898	10.4
109.09489	2.2
109.10170	31.7
111.11720	6.1
121.10221	1.5
123.11707	16.2
125.13288	2.7
127.03912	25.1
137.13248	6.7
145.05003	12.7
151.14832	1.7
165.16475	1.9
179.17976	1.5
221.22697	5.5
239.23691	83.2
257.24838	3.1
341.26962	2.6
368.42395	1.7
383.27963	35.9
401.29099	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	401.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57235	1.4
55.05511	9.9
57.07086	77.2
67.05515	20.9
68.55327	1.2
69.03415	8.0
69.03759	1.6
69.07071	15.5
71.08637	54.3
81.03412	6.4
81.07063	34.8
83.08627	26.0
84.99934	1.5
85.02913	22.7
85.09708	2.2
85.10191	37.2
95.08051	2.8
95.08610	52.3
97.02890	31.5
97.10168	12.7
99.04451	2.2
99.11724	1.7
107.69359	1.6
109.02859	2.5
109.10166	30.9
111.11735	2.4
115.51444	1.7
123.11726	10.2
125.13290	2.1
127.03912	12.5
135.11601	1.8
137.13255	6.4
145.04955	12.1
221.22649	6.3
239.23709	100.0
383.27667	15.4
383.32007	1.6
401.28995	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27965	2.6
61.26416	3.8
67.72039	3.3
71.14708	3.8
72.84726	3.1
92.32627	3.2
98.97593	7.6
105.07057	31.2
115.74706	3.3
116.98609	6.3
119.08597	47.2
156.39569	3.1
271.15784	6.9
337.20456	61.1
339.22119	18.1
341.23743	6.6
355.21631	40.5
357.23096	7.1
391.75800	3.5
401.25848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72094	0.8
56.96587	1.0
64.49603	0.8
78.29353	0.9
98.97592	18.3
116.98654	7.0
122.56258	0.8
134.99660	1.1
155.16357	1.0
164.71576	0.9
169.01630	0.9
176.67487	0.8
202.95395	1.0
245.14769	0.9
255.16187	1.0
267.16406	4.8
283.15790	15.1
285.17374	100.0
301.16895	2.0
303.18457	15.6
327.18405	13.8
345.19702	1.4
356.48010	1.0
401.22122	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09596	0.5
55.05500	0.9
60.05643	1.2
69.03405	0.7
70.06305	0.6
70.06594	11.5
72.08163	7.5
77.49412	0.6
81.03420	0.7
83.51314	0.6
84.04499	2.7
84.08125	3.5
85.02894	1.2
86.09709	36.8
87.53171	0.6
89.06014	1.0
89.56904	0.7
93.07017	0.9
97.02920	1.2
98.06084	0.8
107.04942	4.3
107.08580	1.1
109.02913	0.9
110.07150	1.0
116.06312	1.1
116.07084	17.7
125.09594	0.7
127.03902	1.0
129.10236	2.8
134.06023	0.9
137.05873	1.7
144.08090	73.4
145.05023	0.8
145.06161	0.8
145.08841	3.5
148.07587	1.2
153.10257	4.0
158.09645	2.8
159.07974	1.0
167.07047	8.2
170.09644	73.4
171.10411	13.1
171.14676	0.7
173.05594	0.9
175.11935	0.8
187.07471	1.2
187.12308	10.3
188.13092	30.6
189.08980	0.8
193.08528	0.9
205.08586	1.3
213.08870	0.7
217.08542	5.3
219.08022	3.3
224.10645	4.1
229.08623	1.4
229.15422	1.6
233.09683	1.3
236.08270	1.0
247.07498	1.5
247.09874	0.7
248.08394	1.1
251.10713	1.2
258.14575	1.4
262.09888	1.0
263.10742	1.6
264.07736	1.6
268.16550	1.5
269.08240	0.9
269.16464	3.5
271.10052	0.7
273.08914	1.0
276.07663	2.3
277.08478	1.0
279.10126	2.7
283.25040	1.3
286.14017	6.1
286.16910	0.7
287.17496	1.6
289.08707	0.9
290.09149	1.0
291.10312	2.6
293.08127	1.4
307.09512	2.6
308.10306	1.6
312.20651	0.7
315.08621	8.4
321.07645	1.2
322.11954	0.9
323.12769	1.4
325.10831	0.9
328.09375	0.8
330.10968	8.3
339.12311	3.1
343.11829	1.2
351.12183	4.3
353.09995	2.9
368.12527	1.1
371.14935	1.3
383.14923	27.4
384.18945	1.1
401.15375	9.4
401.21814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80770	1.5
53.53984	1.5
55.01867	4.5
55.05301	1.6
55.05526	33.1
57.03463	1.6
58.91287	1.6
65.52262	1.6
67.05492	8.4
69.03407	2.8
69.07083	19.3
72.18857	1.8
74.61714	1.7
79.05502	4.6
81.07035	10.1
83.08627	99.8
84.02396	1.8
84.08157	1.8
84.38597	1.6
92.23227	1.8
93.07022	7.4
95.08594	3.0
97.06489	2.1
97.10172	48.5
107.04934	2.0
107.08591	11.3
111.08089	30.1
117.07104	2.3
125.09637	37.5
137.06026	2.6
139.07547	3.0
153.09048	2.3
157.08636	8.8
159.28430	1.8
163.03908	3.3
167.06984	10.6
171.10190	2.3
175.09659	10.3
187.07475	2.2
189.11177	13.7
213.11198	10.3
227.12782	12.4
241.51865	1.8
278.90717	2.4
315.08673	8.5
330.11234	2.9
383.14890	4.1
383.20895	7.3
383.77057	2.1
396.88934	1.9
401.16870	6.2
401.21692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44627	0.6
67.60923	0.5
83.90128	0.6
116.78268	0.6
167.07033	1.1
181.05000	0.7
220.32765	0.6
357.18964	4.9
401.17853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00622	0.5
55.05512	0.6
63.56802	0.5
70.06599	0.6
72.08160	0.5
75.25681	0.4
79.05490	0.8
81.07061	1.1
91.57128	0.4
91.57810	0.5
91.60448	0.5
95.08621	0.7
99.81516	0.5
107.04961	5.5
107.08532	0.6
119.02036	0.5
119.08558	0.8
131.08627	0.8
159.08078	3.1
167.07033	12.7
177.05452	0.7
181.04948	0.9
186.06683	0.5
187.07599	1.2
191.07100	0.6
201.09158	0.7
205.08603	1.3
207.06618	0.6
217.08514	4.4
219.08168	2.1
229.08586	1.2
235.07520	0.6
242.06978	0.6
247.07458	0.9
247.09698	1.3
248.08316	0.9
261.09045	0.8
263.10721	1.3
264.07849	0.8
265.08670	0.6
271.09644	1.0
276.07797	1.3
279.10187	2.3
290.09473	2.2
291.10172	2.7
293.08176	2.1
296.10431	0.8
298.29669	0.6
305.07925	0.6
306.24902	0.6
307.09726	2.4
308.10245	1.0
310.90756	0.5
315.08588	4.5
319.09698	1.1
321.07706	0.7
330.11084	1.2
330.61343	0.6
331.11774	0.8
336.10031	0.9
337.10904	1.0
339.12231	1.1
343.11871	0.8
351.12222	4.0
353.10388	2.2
357.18848	5.4
358.44086	0.6
368.12628	1.2
371.14908	1.2
383.14923	19.2
383.19800	0.9
401.17822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07379	0.8
60.08158	0.6
63.12922	0.5
65.21929	0.4
66.33371	0.5
66.51503	0.4
72.08150	0.9
76.24845	0.4
79.01687	0.5
86.00652	0.9
86.09705	0.7
86.55001	0.4
87.04490	4.1
88.04001	1.1
89.82258	0.4
96.18526	0.4
132.01152	6.1
137.05966	6.4
145.02831	2.8
149.05911	0.5
152.07071	10.8
163.06190	0.8
169.03201	5.6
176.07077	0.4
177.05490	10.4
185.43279	0.4
195.04747	1.1
210.05823	5.5
221.08093	100.0
230.87730	0.5
247.60361	0.4
256.06384	26.4
280.15454	0.5
401.17401	81.7
422.14288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84886	1.6
60.09576	1.4
75.29840	1.6
79.05496	6.5
97.81890	1.6
102.11241	1.6
107.04971	19.2
115.05410	2.3
119.19225	1.7
131.08591	3.3
145.06487	3.8
159.08080	8.2
160.07603	6.3
167.07031	53.9
170.09705	2.2
173.06024	1.9
186.09183	7.9
187.07472	2.8
205.08644	9.7
217.08501	15.6
218.07455	1.9
219.08070	7.8
220.08815	1.7
221.09525	1.6
229.08638	4.1
231.08197	2.3
232.08591	1.8
233.09482	3.4
236.08281	1.9
247.07542	5.3
247.09671	4.1
248.08347	8.1
251.10652	2.3
261.08920	6.0
262.09875	7.1
263.10699	6.8
264.07803	3.7
269.08105	11.6
271.09729	6.1
275.07043	3.0
276.07794	6.8
277.08603	3.7
279.10242	9.8
282.08835	8.9
290.09314	3.8
291.10257	14.4
293.08057	8.8
304.07486	2.1
305.08249	3.3
307.09634	11.6
308.10608	7.9
309.07278	2.4
310.08456	3.2
315.08621	77.1
315.12308	3.1
319.09720	6.5
321.07339	3.2
321.10791	1.9
322.11923	2.0
323.12784	8.0
325.10519	2.2
328.09238	6.4
330.11014	52.7
331.11841	7.1
336.09747	4.1
337.10733	11.6
339.12308	9.1
343.11703	12.2
351.12439	18.5
353.10214	13.4
368.12494	3.7
371.14865	9.4
383.14896	100.0
401.16107	38.1
409.35822	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19103	1.3
68.27940	1.8
68.98459	1.7
70.06600	19.8
71.47119	1.5
72.08151	11.4
76.91140	1.7
77.99970	1.8
84.08109	1.9
86.09709	2.5
107.04941	17.0
123.04436	7.1
131.08540	2.0
145.02863	11.0
145.06458	2.0
158.39540	2.1
159.08096	3.6
163.03929	9.1
167.07047	45.0
169.06374	2.4
177.05458	25.4
190.06316	1.7
205.06664	2.3
205.08574	7.6
210.50182	2.0
217.08586	11.7
219.08012	8.4
219.10121	2.1
220.09204	2.4
229.08734	2.8
231.08055	3.3
233.09691	7.7
236.08376	2.9
245.09793	2.2
246.06723	2.0
247.07564	8.6
248.08305	8.5
251.10385	2.0
261.09106	3.0
262.09824	4.2
263.06900	2.0
263.10663	8.5
264.07870	8.3
265.08679	2.1
266.09399	2.0
269.08133	6.6
271.09637	2.7
275.06946	6.9
276.07770	4.2
279.10138	11.6
282.08835	3.8
290.09589	3.4
291.10214	14.1
293.08051	9.5
296.10583	1.8
307.09607	12.8
308.10455	3.4
310.08289	7.9
311.12781	2.3
315.08591	52.3
319.09634	7.4
321.07578	6.8
323.12878	8.5
328.09363	7.0
330.10941	39.4
331.11911	2.5
337.10623	9.3
339.12131	14.5
343.11685	14.3
351.12183	13.9
353.10172	12.0
368.12442	11.6
371.14868	8.8
375.11646	2.0
383.14862	100.0
401.10739	10.2
401.16144	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	401.1599
Annotation	Gomisin R
Peak:m/z	Relative Intensity
52.89078	1.7
53.41162	1.7
55.05521	1.9
60.72364	1.7
69.97424	2.0
70.06599	18.8
71.13150	1.7
72.08152	13.8
76.04017	2.4
79.05514	3.8
84.00212	1.8
84.04516	3.9
84.08163	3.4
85.02915	2.6
86.09713	46.0
94.95978	2.0
95.06097	4.9
99.09267	2.1
107.04964	27.2
107.53748	2.2
115.08690	3.4
116.07076	2.9
124.05219	2.2
125.05957	2.9
130.05069	1.9
131.08543	4.4
139.07629	1.9
151.03889	3.1
153.05492	3.2
158.09244	3.8
159.07977	4.4
167.07040	64.1
173.05981	2.5
175.11890	12.5
177.05457	2.6
181.08583	2.9
187.07515	4.9
199.89926	2.1
205.08615	12.6
207.06497	4.2
217.08601	17.4
219.08084	4.7
220.08754	3.3
229.08565	5.1
231.08037	3.4
236.08324	2.7
247.07507	9.6
247.09738	3.9
248.08345	10.3
251.10699	2.9
262.09827	2.7
263.07196	2.3
263.10681	9.9
264.07800	10.2
269.08112	14.2
271.09631	4.0
275.07117	3.1
276.07834	3.4
279.10059	8.6
282.09167	6.0
289.08749	2.2
290.09357	8.6
291.07156	2.1
291.10114	15.6
293.08066	8.8
304.07129	2.3
306.08688	2.2
307.09686	12.0
308.10477	8.7
310.08392	10.1
315.08640	100.0
315.12292	3.4
319.09634	4.7
321.07596	4.0
323.12820	10.1
328.09470	8.5
330.10986	73.4
331.11685	3.6
336.09912	5.0
337.10648	4.9
339.12216	10.7
343.11783	18.0
351.12256	23.1
353.10281	9.9
356.12454	3.0
368.12598	4.8
369.13480	4.0
371.14902	11.8
383.14880	99.1
395.19601	3.3
401.10748	11.4
401.15863	49.7
401.25049	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1598
Annotation	Gomisin R
Peak:m/z	Relative Intensity
69.03436	2.0
69.64435	1.5
70.06598	3.7
72.08151	11.1
79.05515	2.5
81.07062	2.8
82.24710	1.6
85.02898	11.1
86.09718	22.8
97.02916	6.2
105.01864	1.7
105.37682	1.6
107.04960	19.9
107.05600	1.9
107.08607	2.2
109.02885	2.6
123.04370	1.6
124.05217	2.3
127.03897	3.2
129.07050	2.1
131.08595	8.0
133.06432	1.8
133.74078	1.8
140.81487	2.2
141.07036	2.2
145.04987	2.6
145.06505	2.3
152.07077	7.2
153.07407	3.1
159.08041	8.9
161.06126	2.1
163.03903	12.6
167.07025	63.1
184.05229	2.2
185.16547	2.7
187.07610	3.9
189.12379	2.6
205.08650	9.7
207.06485	3.6
213.16049	2.2
217.08606	26.6
219.08032	7.2
219.10165	3.4
229.08665	2.1
231.08093	2.3
233.09720	3.1
247.09665	14.8
248.08391	10.1
251.10698	2.3
261.09027	2.1
262.09995	2.0
263.10690	4.0
264.07727	3.6
269.08139	12.5
271.09653	7.3
275.07074	2.0
276.07880	4.0
277.08676	2.4
279.10172	3.8
282.08749	2.1
291.10175	11.2
293.08014	7.9
305.08398	2.3
307.09644	9.4
308.10239	3.3
310.08347	3.6
313.09116	2.2
315.08630	100.0
319.09677	4.0
321.07639	2.5
323.12851	8.8
328.09659	1.8
330.11002	73.0
331.11853	9.5
336.09900	3.2
337.10938	6.8
338.07388	1.8
339.12280	9.3
343.11642	14.7
351.12424	13.4
352.12787	1.9
353.10651	1.8
368.12570	3.3
369.13330	8.5
371.14819	6.6
383.14914	59.1
401.15860	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Gomisin R
Peak:m/z	Relative Intensity
57.13614	1.8
69.03436	5.3
70.06601	27.4
71.29626	2.2
72.08183	24.1
79.05499	4.3
84.04473	3.2
84.08135	9.6
85.02918	4.9
86.09711	29.7
87.00848	2.4
93.07022	2.9
95.04949	12.0
97.02898	4.9
98.06060	3.7
99.04470	2.9
103.05458	3.1
105.06998	2.7
107.04961	22.8
107.08627	2.4
109.02869	3.5
111.90004	2.1
112.90191	2.9
115.08662	3.2
116.07087	10.4
119.08540	2.5
123.04463	3.6
127.03910	9.6
130.08635	2.4
131.04956	3.9
131.08591	4.8
133.05016	2.9
135.04462	3.7
135.05495	5.7
135.08130	3.2
135.09149	4.8
145.02887	2.8
145.06549	4.3
147.08014	3.1
153.05464	13.6
153.09077	5.3
153.10159	6.2
158.09390	2.4
159.08095	9.5
161.06004	2.6
163.03893	35.1
165.05493	3.0
167.07030	62.5
173.02361	3.9
173.05873	3.2
177.05498	15.2
179.06981	5.1
180.04166	5.8
181.04805	3.3
187.07498	5.0
193.05013	2.7
193.08566	5.5
195.06563	10.5
201.09195	2.5
205.05112	2.6
205.08585	3.3
217.08632	17.5
219.08101	5.4
229.08649	3.3
229.15413	4.0
231.07951	4.1
233.09712	3.8
239.09084	5.0
245.09515	3.0
247.07471	9.3
247.09691	3.6
248.08331	13.2
260.08386	2.7
262.09848	3.4
263.10599	3.5
264.07892	8.9
265.08511	3.6
269.07910	3.0
275.07050	5.3
276.07791	4.8
277.08649	3.3
279.10193	13.4
282.08945	2.5
290.09116	3.6
291.10181	12.9
293.08047	10.8
307.09723	13.6
308.10541	13.4
311.13116	2.5
315.08606	53.0
319.09637	4.2
321.07678	3.2
322.11920	2.6
323.13022	10.6
325.10638	2.7
328.09586	3.0
330.10925	46.0
331.12085	3.9
336.09918	3.8
337.10614	8.9
339.12070	4.2
343.11829	12.0
351.12341	25.8
353.10022	8.3
368.12463	9.6
371.14874	14.4
383.14871	100.0
392.15567	7.9
401.10242	4.9
401.15533	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	401.1598
Annotation	Gomisin R
Peak:m/z	Relative Intensity
79.05508	2.1
101.59129	2.4
107.04968	26.8
131.08589	8.6
145.06537	2.5
149.06055	2.5
159.08087	14.7
161.05954	3.6
167.07031	80.9
173.06094	2.4
181.04970	7.8
187.07542	10.6
187.95370	2.9
191.07060	3.6
193.08638	3.1
201.09171	2.1
205.08556	15.7
207.06621	3.6
215.06958	2.3
217.08585	19.7
219.08141	4.5
219.10165	4.3
229.08690	2.9
231.08167	2.8
233.09567	3.3
234.50226	1.9
245.09726	2.7
247.07466	9.8
247.09706	12.7
248.08360	7.8
250.94389	2.1
263.10754	8.8
264.07797	8.5
265.08679	2.7
271.09735	12.2
275.07050	10.6
276.07831	9.0
279.10229	9.7
280.10999	2.7
281.07941	2.3
290.09427	4.3
291.10086	14.1
293.08160	9.1
296.10330	3.6
299.09311	3.1
307.09653	14.1
308.10538	8.9
315.08636	20.5
319.09683	3.9
321.07666	3.8
321.11218	2.7
323.12726	7.8
328.09158	2.2
330.11005	16.0
331.11685	9.8
337.10742	11.3
339.12399	9.8
343.11771	10.8
351.12277	14.7
353.10233	12.2
368.12567	9.0
371.14926	9.4
383.14871	100.0
401.15985	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1598
Annotation	Gomisin R
Peak:m/z	Relative Intensity
57.43961	7.1
69.60349	7.3
72.08167	15.3
84.51368	9.6
91.12685	7.8
131.04944	11.2
167.07079	63.0
199.14821	10.8
217.08618	14.4
222.55954	10.1
223.73703	9.5
307.09467	13.4
315.08548	100.0
330.10809	73.8
331.12036	9.1
339.12665	10.0
343.11716	10.5
344.20654	10.2
351.12134	9.2
383.14951	69.6
401.15808	39.9
401.23093	16.3
401.27600	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.16
Annotation	Gomisin R
Peak:m/z	Relative Intensity
60.64596	0.8
70.06568	3.7
71.05013	0.8
71.89436	0.8
72.08143	1.4
79.05486	5.1
84.08162	0.9
86.09697	5.0
95.04955	1.4
105.32986	0.7
107.04298	1.3
107.04959	23.6
116.07108	0.9
117.07021	0.9
120.90264	0.8
123.04425	2.0
124.05210	1.3
129.06984	1.7
131.08554	5.2
135.05508	1.0
140.01741	0.8
141.06999	1.5
144.05649	0.9
145.02827	0.9
145.06485	1.6
152.04735	1.9
156.05701	2.1
157.06462	1.2
158.07304	1.1
159.08034	12.4
160.96011	0.8
163.03899	6.3
167.07028	73.8
169.06412	1.3
169.07681	1.2
173.06007	6.3
177.05405	3.7
179.07065	1.4
181.04980	0.9
181.08640	1.6
184.05269	1.1
186.06789	1.9
187.07498	6.6
191.06952	1.4
193.08495	1.0
195.06535	1.6
200.08427	0.8
201.09129	1.0
202.06290	4.3
205.08607	13.3
207.06531	1.9
210.06862	0.9
211.07509	1.1
217.08591	23.2
218.07245	1.3
219.08026	4.8
219.10164	3.4
220.08827	1.8
221.09583	1.0
223.11307	0.9
229.08604	2.0
231.08163	5.8
231.10092	1.7
233.05835	1.2
233.09518	5.1
235.11368	1.0
236.08382	1.9
245.09592	3.0
247.07555	7.1
247.09657	9.9
248.08252	10.5
249.09042	2.1
251.10703	1.9
253.08366	1.0
259.07602	3.1
261.09085	4.4
262.09863	5.9
263.07205	1.6
263.10675	9.7
263.61050	0.9
264.07770	7.4
265.08557	4.0
266.05655	0.9
269.07993	13.7
271.09637	7.4
273.09219	1.2
275.07089	5.9
276.07852	8.7
277.08591	5.2
278.09335	1.8
279.10117	10.0
279.74020	1.1
281.08124	1.4
282.05679	1.2
282.08862	7.4
287.09207	1.2
289.08490	1.5
290.09387	7.8
291.10236	12.4
292.07468	1.7
292.10965	3.4
293.08096	11.1
296.10443	1.7
299.09082	1.9
304.07397	1.3
305.08145	4.2
305.11655	1.7
307.09610	10.3
308.10345	10.3
309.07516	1.3
310.08383	7.2
311.12653	2.9
315.08618	100.0
316.09286	0.9
318.08786	1.6
319.09720	7.6
321.07529	4.4
321.11005	2.3
322.11972	4.1
323.09283	1.5
323.12735	11.2
325.10788	3.9
328.09299	6.9
330.10965	66.0
331.11743	7.8
336.09964	3.4
337.10635	9.1
339.12271	9.7
341.13718	1.1
343.11761	20.8
350.11636	1.5
351.12259	23.0
352.12949	2.0
353.10248	9.5
356.12610	2.1
368.12549	8.2
369.13266	6.0
371.15012	10.7
383.14874	88.7
401.15936	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1598
Annotation	Gomisin R
Peak:m/z	Relative Intensity
70.93098	0.7
72.98167	0.7
77.65429	0.7
79.05496	5.0
107.04297	1.3
107.04961	21.7
123.04395	0.9
124.05181	0.8
129.06999	1.0
131.08560	2.9
138.39877	0.8
141.06949	1.2
142.43201	0.8
144.05707	1.6
145.06459	3.1
149.05962	0.9
149.93834	0.7
152.04662	0.8
156.05751	1.4
157.06364	0.8
158.07245	0.8
159.08058	7.5
159.99237	0.8
161.06007	1.6
163.03880	0.9
167.07031	52.1
169.06528	1.3
170.07356	0.9
173.05969	2.8
179.06978	1.4
186.06770	1.3
187.07542	4.5
189.09111	1.2
191.07066	1.6
193.08594	1.3
195.06453	1.4
201.09103	4.1
202.06216	1.4
203.08667	0.8
205.08580	9.4
205.10263	1.0
207.06505	5.3
217.08557	15.5
217.10283	1.1
218.07245	1.2
219.08060	6.7
219.10051	1.8
220.08900	1.5
221.09669	1.0
229.08600	5.5
231.08148	6.3
231.10103	1.5
233.09656	4.1
234.10469	0.9
236.08276	1.4
238.12392	1.2
245.09570	2.7
247.07530	11.7
247.09726	4.2
248.08371	9.8
249.09178	2.6
251.10690	3.9
256.07263	0.8
258.06656	1.2
259.07690	1.8
260.08438	1.5
261.09082	3.7
262.09842	6.8
263.07025	1.1
263.10693	7.2
264.07748	6.6
265.08655	3.4
269.08102	8.8
271.09607	5.9
273.08942	1.2
275.07007	4.9
276.07742	7.7
277.08682	4.5
278.09528	1.0
279.10141	8.9
280.11133	0.9
281.07990	3.0
282.05612	1.1
282.08896	5.9
289.08737	1.4
290.09344	5.2
291.10135	13.1
292.07208	1.7
292.10666	1.2
293.08060	10.7
295.09714	0.9
295.51346	0.7
296.10526	2.8
299.09109	1.1
304.07523	1.5
305.08102	3.7
305.11609	0.8
307.09631	13.5
308.10364	8.7
309.07748	1.1
309.11179	0.9
310.08243	6.4
311.12918	1.0
315.08624	67.2
319.09576	6.2
320.10486	0.8
321.07602	6.4
321.10974	1.9
322.08496	1.0
322.11942	1.5
323.09219	1.9
323.12851	10.1
325.10892	3.0
326.11282	1.3
328.09503	7.1
330.10992	50.2
331.11783	6.5
335.09210	4.1
336.10043	5.4
337.10657	8.5
338.07736	1.3
339.12344	9.6
341.10278	1.1
343.11688	18.2
350.11554	1.6
351.12244	17.4
352.13086	1.6
353.10080	12.5
356.12506	3.3
361.94101	0.8
368.12552	8.1
369.13315	4.2
371.14862	8.6
383.14883	100.0
401.15961	39.2
401.20392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Gomisin R
Peak:m/z	Relative Intensity
59.17087	1.6
66.97525	1.4
72.08159	3.2
72.08543	1.4
79.05490	2.4
93.07014	1.6
99.53206	1.5
99.66508	1.4
101.51888	1.5
107.04963	25.0
116.19353	1.4
124.05199	2.4
131.08556	3.5
137.05922	1.4
141.07004	2.3
145.06485	3.5
151.07474	1.7
159.08064	11.6
163.03882	8.0
167.07028	57.9
173.06000	1.8
181.04991	2.1
181.08571	2.2
187.07547	10.1
197.11711	3.3
202.06134	2.5
205.08591	9.1
207.06520	3.1
217.08607	28.0
219.08087	3.6
219.10184	2.9
221.08105	2.4
231.08005	3.4
233.09586	2.2
237.18469	1.6
247.07487	6.7
247.09717	10.3
248.08344	6.4
261.09064	2.7
262.09784	2.0
263.10608	6.4
264.07855	6.3
265.08582	1.9
269.08041	12.8
271.09744	6.6
276.07889	2.3
277.08572	3.4
279.10352	3.2
282.08856	2.7
285.07520	2.6
290.09296	2.9
291.10193	9.6
293.08133	5.9
305.08423	1.8
307.09625	2.8
308.10471	7.1
310.08319	7.2
315.08615	100.0
319.09674	2.1
321.07666	2.7
322.11926	2.6
323.12836	7.0
328.09460	7.5
330.10968	68.6
331.11752	8.4
336.09744	1.8
337.10709	7.5
339.12222	7.6
343.11697	14.4
351.12305	15.6
353.10217	7.8
368.12549	3.3
369.13412	3.7
371.14783	6.4
383.14883	62.1
401.15909	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	401.1596
Annotation	Gomisin R
Peak:m/z	Relative Intensity
69.03437	1.7
70.06599	2.3
72.08153	9.0
79.05496	4.8
85.02892	1.4
85.06503	1.2
86.09670	1.4
86.81091	1.1
92.18356	2.5
95.04974	2.6
97.02908	1.2
102.09187	1.1
104.05660	1.3
105.07014	2.6
107.04958	30.1
113.85287	1.3
123.04476	2.2
124.05204	4.9
125.05974	1.7
127.08700	1.7
131.08571	1.7
133.06436	1.6
135.04393	1.6
141.07004	1.3
141.10286	1.3
145.06482	5.7
149.05966	1.7
156.05711	2.4
159.08080	11.0
161.05991	2.5
163.03946	6.1
167.07036	79.4
170.07225	2.2
173.05984	2.4
174.03099	1.4
177.05511	2.3
179.07126	2.1
181.05028	5.3
181.08595	4.5
186.12361	5.1
187.07582	10.2
190.06337	4.7
192.04280	1.7
193.08580	2.1
195.06567	2.6
202.06232	2.5
203.08650	1.4
205.08583	23.5
205.10158	1.7
207.06528	21.7
207.10109	2.4
209.08165	2.5
211.07605	1.7
217.08597	17.7
218.07277	2.2
219.08073	8.8
219.10187	5.5
219.66843	1.3
220.08780	2.1
229.08611	2.6
231.08072	5.5
232.08615	1.3
233.09688	6.2
236.08401	6.0
238.06119	1.4
245.09755	3.1
247.07565	9.8
247.09818	2.7
248.08299	12.0
249.05380	1.6
251.10699	2.5
256.07208	2.0
259.07532	2.0
260.08575	1.5
261.09271	4.9
262.09982	7.4
263.07877	2.0
263.10614	14.8
264.07794	9.2
265.08643	2.4
266.05637	1.3
269.08008	4.7
271.09653	21.8
275.07007	4.6
276.07684	11.0
277.08740	2.7
278.09378	2.2
279.10141	7.6
280.11063	2.4
282.08936	2.6
284.06802	4.7
290.09424	6.3
291.10144	15.2
293.08121	12.8
296.10437	2.5
299.09268	7.2
301.07062	1.6
305.08099	3.0
305.11624	1.6
307.09683	18.2
308.10495	10.3
310.08377	5.8
311.12906	5.3
315.08615	44.7
316.09583	2.5
318.09085	1.8
319.09738	7.1
321.07666	5.1
322.08447	1.8
322.12073	2.8
323.09225	2.3
323.12668	18.4
325.10739	5.0
327.18924	1.4
328.09558	1.8
330.10934	28.9
331.11743	10.9
335.09341	1.8
336.10016	6.6
337.10706	10.5
339.12231	13.8
343.11633	11.5
351.12262	23.1
352.13052	2.3
353.10199	16.3
356.12573	2.4
368.12430	10.7
369.13498	1.6
371.14804	9.9
373.16406	2.0
383.14883	100.0
396.65536	1.2
401.15936	63.1
401.28796	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	401.1599
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.30587	0.9
53.88377	0.9
70.06596	1.2
72.08155	1.3
73.78497	1.0
76.75320	1.1
79.05503	1.7
83.56496	1.2
86.09708	4.4
107.04951	11.3
116.07061	1.2
117.06901	1.0
131.08574	1.5
135.19464	1.1
141.07021	1.3
144.08067	8.4
156.05728	1.7
159.08083	4.3
161.05956	1.9
167.07040	30.3
170.09659	7.5
177.05544	2.4
181.05009	1.4
181.08591	1.7
187.07568	2.6
188.13174	1.6
191.08653	1.3
202.13771	1.3
205.08632	6.7
207.06392	1.5
211.07704	1.3
215.08678	1.4
217.08575	10.4
218.07399	2.0
218.89537	1.1
219.08107	11.5
219.09952	1.8
220.08809	1.4
229.08510	5.7
231.07941	5.1
233.09650	2.5
236.08350	1.6
245.09686	1.4
247.07422	8.1
247.09741	1.9
248.08437	7.8
249.05431	1.2
249.09129	1.4
251.10745	5.1
258.07001	1.2
260.08401	1.2
261.09113	6.5
262.09851	4.7
263.07047	1.7
263.10681	7.6
264.07892	8.4
265.08475	2.5
267.76746	1.2
269.08105	1.8
271.09753	2.3
275.07178	7.7
276.07870	6.4
277.08664	2.7
279.10269	11.9
280.11057	2.3
281.08279	1.5
282.08972	2.5
289.08704	1.3
290.09381	4.2
291.10205	11.2
292.07358	1.9
293.08066	7.9
296.10422	1.3
304.07315	1.5
305.08121	2.1
307.06650	1.4
307.09595	10.2
308.10434	4.9
309.07498	1.3
309.11105	1.2
310.08377	2.6
315.08615	24.8
319.09634	5.4
321.07672	4.5
321.11267	1.6
322.08307	2.0
322.11877	2.0
323.12640	6.4
328.09488	1.7
330.11008	22.1
335.09143	6.0
336.09863	2.3
337.10748	7.2
338.07831	1.8
339.12241	7.9
343.11594	8.2
347.37631	1.2
351.12262	15.4
352.12927	1.2
353.10162	12.9
356.12402	2.0
368.12570	9.8
369.13242	2.2
371.14908	12.0
383.14868	100.0
401.15964	22.4
401.21616	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	401.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86565	0.4
60.27611	0.4
70.06583	2.5
72.08164	6.9
84.04484	0.7
84.08167	0.6
85.02892	0.6
86.09695	3.1
93.59704	0.5
97.10785	0.5
105.07046	0.5
107.04939	1.2
109.54468	0.6
118.49100	0.5
119.01885	0.5
119.61736	0.5
121.10116	0.5
127.03932	0.7
130.05078	0.6
135.08047	0.5
152.01651	0.5
159.07977	0.7
161.05959	0.9
167.07056	5.9
177.05487	0.8
177.08835	1.3
181.04970	3.8
185.04137	1.6
186.12468	0.6
193.08380	7.6
203.05296	3.7
213.16177	0.6
217.08583	2.0
229.08977	0.7
231.08249	0.6
239.08922	32.2
255.10745	2.4
257.08875	0.7
281.04263	0.7
291.10355	0.7
307.09558	0.7
308.10522	0.6
315.08698	4.6
330.11090	3.6
343.11734	1.1
351.12149	1.9
383.14935	7.0
385.38828	0.6
401.14142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1232
Annotation	4'-Demethylepipodophyllotoxin
Peak:m/z	Relative Intensity
58.86061	0.5
67.05487	0.8
69.03461	0.6
87.35787	0.7
95.41788	0.7
97.06533	4.2
105.07003	0.8
106.68899	0.6
115.50183	0.6
117.61246	0.7
121.10192	1.0
140.44748	0.7
145.99283	0.6
167.06995	0.8
168.75668	0.7
181.04921	1.0
221.05908	0.6
224.08209	0.9
225.09064	1.2
238.88437	0.6
252.07918	1.5
253.08591	9.8
267.10245	1.5
269.08084	2.8
280.07306	3.4
281.08212	3.7
293.08136	2.4
294.08887	8.2
295.09659	3.7
297.07654	1.6
298.08392	5.2
305.07904	0.8
308.06732	1.1
309.07748	1.3
309.11172	1.4
311.09341	1.3
313.10699	67.1
321.07678	1.2
322.08316	4.3
323.09073	2.7
325.07101	1.2
327.12268	9.8
337.10718	2.7
339.08652	6.9
340.09494	5.7
341.10211	25.4
341.14084	1.5
350.07980	2.2
355.11768	24.7
355.15894	1.2
367.08426	1.2
381.09689	4.4
383.11212	100.0
401.12167	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98683	3.2
51.12270	2.8
51.31916	3.3
52.13483	3.0
52.30654	3.6
54.80455	2.9
56.96564	5.6
62.26499	3.7
77.97065	3.3
82.34332	3.2
95.03483	3.8
96.84708	3.5
98.97591	100.0
116.98645	43.0
134.99657	16.7
142.43845	3.4
156.60406	4.7
176.27287	3.9
240.98775	4.2
242.58498	4.2
258.99799	62.7
274.97507	8.3
277.00806	44.6
284.99942	32.7
301.00943	4.4
303.00897	27.5
317.95538	4.1
377.91708	4.8
382.96509	23.7
383.00729	12.1
386.92389	17.1
387.42227	6.2
395.91537	5.4
400.96771	39.6
401.01614	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	400.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92085	0.7
51.03302	0.6
55.05508	0.7
66.66853	0.7
66.77661	0.6
71.05021	0.7
71.08636	6.3
79.05499	0.7
79.35267	0.7
81.07051	1.7
84.08109	2.7
86.09687	1.2
86.85529	0.7
88.11283	8.4
92.17871	1.0
93.07051	0.9
95.08578	0.8
97.81097	0.7
105.13704	0.8
138.12729	1.0
140.10695	0.7
149.09625	0.8
166.12285	9.5
180.13838	1.0
184.13347	16.8
189.71304	0.7
198.14899	8.4
216.15939	1.2
236.20021	0.9
254.21136	53.2
270.24234	1.5
272.22189	100.0
382.33194	3.8
400.34207	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20384	9.7
53.61873	10.0
59.28492	11.4
80.71964	12.2
80.77530	10.5
85.70324	10.8
115.30753	12.8
121.24972	12.6
146.96591	11.7
184.13373	19.0
201.61234	12.2
254.21220	20.7
259.42371	14.4
272.22089	100.0
400.34164	29.0
412.66223	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	400.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65557	1.1
52.31448	1.2
56.10580	1.1
58.49297	1.0
71.08614	4.6
71.30825	1.1
72.53684	1.1
81.07052	1.4
88.11254	6.2
107.72595	1.6
110.28883	1.4
166.12251	7.9
184.13321	14.9
198.14870	9.9
216.15883	1.6
254.21150	54.0
270.24359	1.4
272.22198	100.0
382.32935	2.3
400.34210	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	53.8
68.08836	5.9
89.06033	52.3
100.35771	6.7
115.60577	6.5
121.06497	90.4
128.24487	6.3
133.08609	10.9
143.36542	6.2
147.08119	7.1
154.30028	6.1
165.09113	26.6
185.05460	6.3
271.15396	100.0
383.28067	61.1
408.17624	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	400.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25560	0.4
58.51630	0.3
61.40331	0.3
62.82053	0.3
64.16911	0.3
64.90822	0.4
67.33291	0.3
72.92140	0.3
79.05499	0.4
86.06023	0.4
88.22704	0.4
98.06048	0.6
102.06662	0.4
141.14433	0.5
144.08089	70.4
145.08881	4.3
148.07587	1.7
158.09657	2.7
167.07108	0.6
170.09641	72.6
171.10417	15.1
172.09926	0.5
184.11325	0.4
185.67697	0.5
187.12300	7.7
188.13089	30.0
189.13959	0.9
212.12743	0.7
224.10666	3.3
258.16998	0.5
269.16599	4.1
287.17551	1.9
305.32257	0.4
322.89810	0.4
400.14798	2.5
400.25955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32173	0.4
66.25038	0.4
75.00548	0.4
76.76947	0.4
77.62643	0.4
85.21405	0.4
97.59491	0.5
103.60120	0.4
110.06059	0.4
144.08086	73.4
145.08844	2.8
148.07533	0.8
158.09659	3.1
166.12239	0.7
170.09639	64.2
171.10414	13.9
172.09959	0.7
173.10760	0.7
187.12309	7.5
188.13080	26.0
189.13976	0.5
211.00108	0.5
224.10689	3.4
252.13878	0.6
261.08838	0.4
269.16522	4.0
287.17487	2.3
299.95621	0.5
391.21219	0.4
400.25946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	0.5
58.16566	0.3
62.38312	0.3
70.92734	0.3
71.50314	0.3
144.08092	27.0
145.08856	1.9
158.09671	2.0
170.09648	100.0
171.10425	26.9
187.12306	1.3
201.13864	5.1
202.14647	22.4
362.08963	0.4
400.25955	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.5
62.14299	0.4
65.18276	0.4
69.07066	0.4
69.35677	0.3
80.46418	0.3
86.87254	0.5
88.02213	0.9
90.41482	0.4
116.05306	0.5
144.08101	25.5
145.08861	1.8
149.13239	0.5
158.09645	1.6
170.09656	100.0
171.10435	27.8
187.12419	0.6
198.10538	0.5
201.13889	5.3
202.14661	25.3
236.62082	0.6
259.19006	2.4
336.87427	0.4
352.41333	0.5
382.13483	0.4
400.25974	67.1
405.76181	0.4
423.71948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.6
61.00051	0.5
62.71252	0.4
64.06581	0.6
94.51306	0.5
95.35871	0.5
102.52073	0.5
111.62914	0.5
115.09461	0.6
130.04991	2.4
144.08101	24.0
145.08870	1.0
158.09587	1.2
170.09656	100.0
171.10443	28.2
187.12244	0.6
201.13896	5.5
202.14667	23.4
327.96487	0.5
353.61078	0.5
385.53815	0.5
400.25986	70.4
421.44290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1872
Annotation	31F508b2
Peak:m/z	Relative Intensity
52.94415	0.4
64.33723	0.5
70.06590	1.2
71.83535	0.4
72.08150	2.6
87.04450	0.6
89.36970	0.5
103.31880	0.5
106.89801	0.5
110.75076	0.6
116.04982	2.3
130.04996	0.5
134.06020	4.2
141.05414	0.9
144.04463	11.4
162.05515	1.9
223.06355	0.7
224.07025	1.3
237.04247	3.1
238.08636	0.6
241.07253	2.0
252.06506	6.4
254.08139	0.9
255.02917	3.4
256.09689	0.8
269.06863	2.9
280.06085	7.7
282.07764	0.7
284.09183	15.0
286.10587	0.7
297.06369	5.4
312.08679	100.0
383.16418	1.8
400.18713	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81613	1.2
52.07225	1.4
55.05497	1.8
60.23206	1.4
70.06599	60.4
70.08996	1.6
72.08160	66.6
81.91481	1.4
85.06257	1.6
98.06052	8.1
103.34180	1.7
115.08689	3.1
118.22220	1.8
147.31985	1.7
157.16435	1.7
160.07597	14.4
176.33942	1.9
185.12415	1.5
186.09138	47.2
187.09908	10.5
215.11798	11.8
216.00702	1.7
218.14206	9.3
269.06876	3.1
270.07608	69.7
271.08371	2.7
272.09299	13.1
284.09174	29.7
286.10782	9.5
312.08688	95.2
314.10229	36.4
340.14557	1.7
357.20532	1.7
383.16071	24.2
400.18613	100.0
400.23669	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	400.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91238	0.4
53.01532	0.5
53.03968	0.6
55.01881	1.0
55.41957	0.5
57.03435	3.1
57.13075	0.5
59.05011	100.0
61.02923	2.6
69.03110	0.7
69.03443	10.1
70.06593	0.9
70.43024	0.5
71.04981	1.0
71.92504	0.6
72.08173	1.0
73.02927	1.1
81.03430	10.7
82.25459	0.6
82.62538	0.6
85.02914	33.7
87.00837	12.3
92.18449	0.9
93.10184	0.6
93.89502	0.6
95.06095	1.0
95.30680	0.6
97.02889	10.7
99.04471	6.4
105.01886	18.2
105.07033	7.1
109.02885	16.9
110.07159	0.9
117.09141	25.6
120.08189	0.7
122.09662	5.6
127.03924	32.2
129.01895	1.0
135.10168	35.2
145.04929	6.4
153.61925	0.6
159.02896	4.5
167.07002	2.4
174.12738	1.1
192.13879	0.8
213.04004	4.6
225.11269	6.6
231.04951	10.3
238.14279	1.5
243.12224	1.1
249.05989	2.8
253.11182	0.7
303.14432	0.7
311.26550	0.6
329.12296	1.4
347.13449	4.5
356.25555	0.8
365.14508	10.5
383.15509	2.4
400.14047	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	400.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54603	0.4
53.03950	0.5
55.01875	2.0
55.36901	0.5
57.03442	3.8
59.05011	100.0
61.02929	2.4
62.06088	3.3
69.03436	9.4
70.06591	3.2
71.05000	1.1
72.08172	1.1
73.02931	1.3
80.44194	0.5
81.03424	13.2
83.28909	0.6
85.02914	36.8
87.00836	10.4
87.04467	0.7
95.06101	11.7
97.02907	10.7
99.04443	5.3
99.08092	0.7
105.01878	18.2
105.44258	0.5
107.12709	0.5
107.59673	0.5
109.02887	17.8
113.07133	1.9
117.09136	25.7
127.03918	30.0
129.01875	1.1
134.09712	1.0
135.10176	29.0
141.34973	0.5
145.04971	4.6
147.02888	0.6
151.03941	0.5
159.02928	5.7
167.07031	3.3
173.71046	0.5
174.32260	0.7
213.03935	3.8
225.11182	4.1
231.05019	6.3
243.12401	0.6
249.06088	1.0
256.02338	0.6
271.08075	0.6
279.17023	4.5
297.18146	5.1
303.14392	0.7
329.12225	0.8
338.24347	0.8
347.13364	2.8
356.25397	4.6
365.14465	5.8
382.23267	0.6
383.15570	3.6
400.24469	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	400.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47652	0.1
62.38457	0.1
62.88818	0.1
69.03413	0.2
70.06583	0.2
72.08167	0.2
74.66211	0.2
79.71926	0.1
83.04817	0.1
85.02914	0.7
89.06039	0.2
91.05462	1.3
97.02869	0.2
100.13474	0.2
100.62274	0.2
109.02877	0.2
114.09188	0.2
115.05451	4.9
117.07015	100.0
124.67142	0.2
127.03941	0.3
127.37839	0.2
131.05980	0.1
133.06631	0.1
144.08116	1.7
165.65701	0.2
170.09621	6.2
171.10449	2.1
183.13387	0.2
186.45886	0.2
201.13841	0.3
202.14685	1.4
211.89284	0.2
215.62442	0.1
228.33980	0.2
400.15918	0.2
400.25964	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	400.1396
Annotation	Narcotoline
Peak:m/z	Relative Intensity
54.75041	0.4
55.01869	0.5
55.78858	0.5
57.03439	1.8
59.05009	44.5
65.36639	0.4
69.03452	4.3
70.06580	0.8
71.04989	0.7
72.08158	6.0
73.02914	0.8
81.03419	5.4
84.08140	0.7
85.02908	17.8
87.00836	4.6
89.10789	2.7
95.06107	4.9
97.02899	6.3
97.17805	0.4
99.04472	3.2
99.08100	0.7
105.01875	8.7
105.25273	0.4
109.02894	8.3
111.04393	0.5
113.07095	0.6
113.09838	0.4
116.06305	0.5
116.07091	0.6
117.09135	12.9
127.03918	15.0
133.26062	0.5
135.10170	16.1
138.06454	0.5
143.11900	0.5
145.04959	3.9
147.02933	0.5
150.06757	0.6
152.04247	0.4
159.02859	2.2
167.07031	2.0
187.03918	1.1
188.04214	0.7
197.12012	19.6
197.13742	0.9
213.04005	2.3
224.10701	0.6
225.11365	4.5
228.10197	0.9
229.11020	0.9
231.04997	4.5
234.06328	0.9
239.09499	0.7
251.06853	0.6
252.07393	0.6
252.10173	0.5
253.10960	24.2
254.11801	0.8
266.08920	0.6
267.12643	0.9
271.08264	0.4
271.09198	0.6
271.11978	5.8
279.06329	0.7
279.17038	2.0
280.06854	0.9
293.08145	0.6
294.08545	3.3
296.12811	3.1
297.18192	1.9
306.04129	0.4
310.14337	8.5
311.09088	0.7
312.09564	3.1
328.15439	5.7
329.12231	0.8
338.14053	0.9
340.11844	9.9
347.13437	2.8
356.25516	2.0
365.14426	6.0
382.12897	5.1
383.15942	1.0
400.13956	100.0
400.19360	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	400.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	1.1
69.03406	3.4
70.06589	1.9
72.08135	2.0
84.04516	1.1
84.08093	0.8
85.02927	1.0
85.11279	0.8
86.05582	1.0
86.06069	20.1
87.04476	30.3
95.06057	1.3
98.06048	1.2
101.02376	7.5
102.05553	1.0
104.07116	33.3
107.04939	1.5
119.03391	1.4
123.04417	6.3
127.04005	0.8
135.08006	1.0
135.10066	1.0
141.08003	0.9
149.02322	4.3
151.03906	38.8
172.22391	1.0
175.03900	10.5
177.01834	16.4
191.03389	5.6
193.04947	0.9
219.02902	38.6
233.04443	28.7
251.05411	1.4
279.05020	1.1
287.60925	0.8
287.89059	1.1
356.25385	0.9
400.12323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2508
Annotation	Tris(butoxyethyl)phosphate
Peak:m/z	Relative Intensity
51.62624	1.4
55.05524	26.2
57.07087	74.2
64.94381	1.9
72.85665	1.7
79.18652	2.0
83.08632	14.3
95.30243	2.0
98.98472	21.1
101.09668	20.3
127.59345	2.1
143.01048	3.6
186.52951	2.0
199.07307	83.1
225.08841	3.3
228.60248	2.0
243.09904	1.8
299.16190	100.0
377.27243	2.0
399.25034	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1921
Annotation	(-)-11,12-Methylenedioxy-kopsinaline
Peak:m/z	Relative Intensity
50.81263	0.7
55.01875	1.2
56.59288	0.6
60.05655	0.8
70.06591	5.8
72.08164	73.5
75.76539	0.7
81.80889	0.6
84.04494	1.0
84.08154	3.1
85.02928	0.9
86.09708	1.4
89.10799	39.1
91.65558	0.7
93.67651	0.8
98.06076	1.2
98.97588	1.5
107.04996	0.9
115.08682	4.1
116.07085	3.1
123.96670	0.7
127.03960	0.7
129.10295	1.0
135.04398	1.1
137.05992	11.6
145.05013	0.9
147.04471	1.4
149.05960	1.4
150.06773	13.5
151.03928	2.8
158.09250	1.3
159.04453	4.5
161.05974	1.6
163.03893	2.9
164.04341	0.8
165.04367	0.9
175.11986	1.6
187.03906	26.7
187.05438	1.4
189.05655	0.9
194.99724	1.7
195.08101	0.9
197.12888	1.2
205.06519	5.7
219.01820	2.9
219.08183	1.1
223.07556	10.3
233.06020	15.3
234.06981	1.3
237.05598	0.8
237.09138	3.5
240.04259	1.0
247.07553	1.2
250.06285	4.4
251.07033	28.4
252.07909	1.2
261.05469	6.9
265.08597	12.2
268.07669	0.9
269.08212	4.8
275.07065	1.2
278.05719	7.0
279.06522	16.7
283.09674	10.2
293.08090	56.2
296.06857	3.6
311.09171	49.0
339.03964	5.3
357.05048	3.0
382.16473	9.2
390.16772	0.9
399.19229	100.0
399.23468	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	399.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.24042	1.1
70.06584	2.5
72.08163	82.6
84.08138	2.6
85.02956	1.4
89.10295	1.6
89.10800	39.0
98.06061	2.7
114.09141	1.6
115.08726	1.7
116.57607	1.2
122.91328	1.2
137.05974	12.4
150.06737	13.5
151.03902	2.3
154.13028	1.3
159.04430	6.0
161.02318	2.1
187.03894	32.4
189.05479	1.8
205.06516	5.4
223.07507	11.5
224.13937	1.5
233.05951	15.9
247.07475	1.5
250.06273	5.4
251.07010	33.0
252.07747	1.7
255.10031	1.2
261.05466	5.9
265.08582	17.2
268.07635	1.3
269.07999	5.8
278.05753	8.2
279.06485	21.1
283.09692	8.8
293.08078	56.6
296.06711	2.4
311.09137	47.0
382.16592	11.6
399.19116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60905	0.3
55.05511	0.4
67.05490	0.4
67.06983	0.4
70.06611	0.8
72.08157	1.9
79.05509	0.4
81.07058	0.6
84.08155	0.5
85.02924	0.4
91.05472	0.6
94.04200	0.5
95.04967	0.4
101.01733	0.4
109.10215	0.4
122.03648	2.2
123.04440	1.6
131.05003	0.6
135.07994	0.3
135.47830	0.3
137.05991	100.0
141.06958	0.4
145.02884	0.5
148.69429	0.3
151.07524	1.7
155.08533	5.0
155.82936	0.4
157.10135	1.5
157.22186	0.3
161.06049	0.4
163.03928	3.1
163.07513	0.9
165.05475	0.5
166.00609	0.3
167.07169	0.4
167.08495	2.6
170.07236	0.6
171.08003	0.5
173.09584	0.3
175.07574	0.5
177.09166	0.5
183.08038	4.4
185.09669	2.2
189.09067	0.4
195.08067	2.1
200.08344	1.9
212.08362	1.4
213.09212	0.5
215.10628	1.5
217.12253	0.4
227.10712	2.2
231.10121	0.7
245.11732	20.3
245.14235	0.7
267.10803	0.3
293.08041	1.9
319.13187	0.5
331.13412	0.8
349.14426	0.6
369.16986	0.6
381.16998	2.5
390.16678	0.4
399.18033	20.0
417.93579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54601	0.3
51.45999	0.3
61.02938	0.7
63.22641	0.4
69.03462	1.2
70.06596	24.5
72.08157	1.6
73.02921	0.4
81.03430	0.7
84.04500	1.7
85.02911	7.1
91.03970	0.6
97.02895	3.3
99.04413	0.4
102.05575	2.8
109.02863	0.6
116.07093	6.8
117.03355	0.6
127.03915	2.5
127.08683	31.7
135.04424	3.7
143.84808	0.4
145.02859	6.0
145.04976	0.9
155.08157	19.1
163.03905	100.0
181.09686	0.5
220.09674	15.4
227.10324	3.9
237.12384	0.7
245.11325	0.4
256.12817	0.7
284.09470	0.8
284.12399	14.8
295.46890	0.4
325.08939	0.6
382.14960	11.5
399.17856	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1628
Annotation	His Glu Asn
Peak:m/z	Relative Intensity
62.75249	0.3
63.84426	0.4
69.07051	0.4
90.62461	0.4
91.56644	0.4
92.18512	0.4
126.68975	0.4
151.44690	0.4
172.78169	0.4
194.75212	0.4
313.16257	0.7
334.90100	0.5
355.17203	7.1
399.16263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1627
Annotation	His Glu Asn
Peak:m/z	Relative Intensity
50.29603	0.4
51.70377	0.5
65.21485	0.4
66.24361	0.5
69.07099	0.7
74.29276	0.5
78.64205	0.5
85.36428	0.5
90.40656	0.5
104.04693	0.5
143.22095	0.7
243.04906	0.9
287.03763	6.6
289.05408	0.6
355.17267	5.5
358.49521	0.7
399.16254	100.0
406.75067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	8.8
58.53292	2.6
72.76890	3.5
74.02469	4.4
97.02892	47.4
102.05558	19.5
136.06169	49.9
170.18698	3.5
250.09351	63.0
298.09753	7.5
301.21613	3.5
304.68716	3.9
359.65219	3.6
399.06921	100.0
399.14563	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	399.1449
Annotation	S-(5'-Adenosyl)-L-methionine
Peak:m/z	Relative Intensity
56.05042	11.9
58.06614	0.6
58.28932	0.4
59.11870	0.4
61.01148	4.6
65.97615	0.5
69.03433	4.0
73.02891	0.7
74.02444	3.7
74.06064	5.0
75.02721	2.8
84.04502	2.2
85.02915	0.8
89.04281	0.4
92.00603	0.4
97.02893	90.2
102.05546	36.1
102.06227	1.1
103.02193	0.6
119.03450	0.5
133.93947	0.5
136.06189	94.4
145.03210	2.2
163.04265	2.2
232.08376	0.6
236.14903	12.4
237.15242	22.4
250.09334	100.0
264.08981	6.5
298.09674	25.3
399.06808	0.9
399.14371	14.0
399.20483	10.5
403.26334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3269
Annotation	O-palmitoleoylcarnitine
Peak:m/z	Relative Intensity
55.05507	3.1
57.03431	0.7
57.07080	0.6
59.56620	0.5
61.32915	0.5
62.24141	0.4
66.08734	0.6
67.05499	2.9
69.07064	2.6
70.06590	2.5
71.08630	8.1
75.10469	0.5
79.05490	2.3
81.03433	0.8
81.07072	4.9
83.08614	5.0
84.08138	2.9
85.10170	0.9
86.09711	4.9
88.11269	9.8
91.05476	1.2
93.07038	3.4
95.04944	3.0
95.08614	4.3
97.10183	0.6
99.08098	1.3
105.07027	2.4
107.04932	0.5
107.08585	3.5
109.10150	2.6
110.17043	0.5
111.08049	0.8
112.11285	0.8
113.09677	0.9
119.08621	1.8
121.10180	2.8
123.11703	0.8
125.09649	0.7
126.12807	2.1
128.77946	0.6
131.08546	1.3
132.10217	0.6
133.10118	1.3
138.12762	0.7
139.11209	2.3
140.10727	2.9
140.14346	1.3
147.11700	1.3
149.09647	0.9
151.11224	0.9
151.50175	0.6
159.11685	0.6
163.11180	1.0
165.12753	1.1
166.12288	1.1
168.13843	0.9
177.12816	0.7
180.13853	0.9
182.15393	1.3
184.13393	2.2
196.13286	1.0
198.14845	3.4
212.16368	0.9
218.49687	0.6
224.20135	3.1
242.21011	1.3
252.19647	1.1
252.23260	0.8
254.21155	16.8
256.22739	2.2
268.22720	5.6
270.24268	6.2
272.22308	3.8
275.20291	0.6
277.21609	1.2
278.21094	1.1
280.22986	1.0
282.24139	0.8
293.21088	5.5
295.22849	0.8
296.22177	3.7
300.29062	6.5
352.32083	8.8
357.15884	0.8
362.30481	1.1
366.23297	1.0
380.31622	5.6
398.32690	100.0
416.40848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.6
67.05504	1.0
70.06601	1.5
71.04960	1.0
71.08643	6.3
79.05484	0.7
79.12582	0.5
81.07044	2.6
83.08607	2.0
84.08121	2.4
86.09684	0.6
87.04461	0.5
88.11277	9.1
90.97971	0.4
91.05444	0.7
93.07042	1.0
95.08588	0.8
96.50471	0.4
98.09660	0.5
104.07094	0.9
105.06971	0.5
107.08569	1.0
109.06496	0.6
109.10152	0.6
114.12749	0.5
121.10125	1.7
123.11746	0.7
125.09586	0.5
126.12766	1.0
131.08565	0.6
133.10027	0.6
136.91347	0.5
138.12753	2.0
140.10696	0.7
145.11588	0.5
149.09602	1.8
166.12286	8.2
180.13799	1.8
184.13345	16.3
198.14880	9.0
202.14473	1.4
216.15929	1.9
236.20004	0.8
254.21152	59.2
270.24237	0.8
272.22205	100.0
295.22717	0.6
380.31592	2.4
398.24265	2.0
398.32669	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24716	0.3
72.08186	0.5
85.02895	0.5
86.09711	100.0
97.06542	2.5
105.53936	0.4
110.07184	1.9
114.10292	1.7
115.07623	0.5
115.10926	0.4
122.02715	5.0
132.10210	85.4
148.21767	0.4
152.05637	0.4
156.07669	1.5
180.06587	3.7
181.39085	0.3
236.09503	3.9
236.14900	8.9
249.09554	1.3
265.47336	0.4
265.99908	0.8
367.24570	0.5
398.15024	1.1
398.20313	7.1
398.26929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1714
Annotation	IC-87114
Peak:m/z	Relative Intensity
55.24247	0.4
66.13761	0.5
72.08168	6.7
72.75464	0.4
74.04465	0.4
78.59588	0.4
79.72466	0.4
83.66973	0.5
89.10741	0.8
93.31013	0.4
93.67077	0.4
96.21158	0.4
98.99946	0.4
99.04444	1.0
124.57312	0.4
127.03934	4.8
155.03415	0.5
160.60773	0.5
194.06007	2.2
195.93077	0.4
196.03885	2.6
196.07579	0.5
208.07568	0.7
211.06218	2.1
222.05499	4.6
223.06201	1.1
224.03514	4.1
226.08627	5.4
229.85976	0.5
235.02699	1.0
236.07043	2.1
239.05785	6.6
250.05051	3.3
251.05708	3.4
252.02940	1.8
252.06750	0.6
253.07306	2.3
254.08127	20.7
264.06531	4.7
267.05292	14.8
281.06747	0.8
282.07617	10.5
284.09131	1.0
292.05975	1.1
293.47394	0.6
295.04724	3.1
310.07098	100.0
312.08542	1.1
381.14435	11.4
381.19382	0.7
398.17130	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10068	0.4
61.27488	0.4
71.94511	0.4
72.08160	6.5
72.64720	0.4
74.79536	0.4
89.10780	1.0
99.04408	3.2
127.03908	5.8
130.49826	0.5
147.74057	0.5
183.06590	0.7
194.05959	2.6
196.03925	2.0
208.07587	1.1
211.06279	2.6
212.13010	0.5
222.05508	5.5
223.06244	2.5
224.03419	3.8
224.06917	0.7
226.08684	4.2
236.07069	2.3
239.05762	8.0
250.04953	3.2
251.05774	4.7
252.02864	1.8
253.07323	2.9
254.08127	26.2
264.06583	5.6
267.05270	14.5
281.06866	0.7
282.07602	12.6
284.09189	2.2
292.06094	1.1
295.04709	3.8
310.07092	100.0
312.08414	0.6
381.14444	13.7
398.17123	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62435	0.4
60.43221	0.5
61.68437	0.5
70.06576	1.1
72.08156	6.5
81.04576	0.5
84.78130	0.6
89.10760	0.9
98.06070	1.0
115.08681	0.7
118.95708	0.7
120.56416	0.5
127.03901	3.2
129.47681	0.6
135.59094	0.7
147.04350	1.1
170.09602	0.6
194.06035	1.2
196.03951	2.3
198.79739	0.7
205.00992	0.6
208.03987	1.0
211.06248	1.0
222.05524	3.1
223.06357	1.3
224.03430	6.0
224.07063	1.1
226.08649	3.4
235.02718	0.8
239.05768	8.3
250.04958	1.4
251.05809	4.1
252.02913	2.4
254.08119	12.7
260.09253	0.7
264.06580	1.1
266.04413	5.2
267.05255	13.6
278.10104	1.1
280.06046	1.3
282.07565	10.5
284.09207	0.8
295.04907	3.0
310.07083	100.0
381.14508	9.2
398.17093	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91524	0.4
59.99118	8.4
67.07204	0.4
69.07054	0.4
70.06604	0.7
72.08149	1.0
82.47311	0.4
84.05625	0.4
88.02222	46.9
92.17858	0.6
96.08124	0.8
96.22271	0.5
97.26305	0.5
100.07632	3.2
113.08588	0.4
113.10742	0.6
114.09180	10.6
115.09502	4.2
116.05321	100.0
153.10088	0.5
167.06931	0.8
168.07494	0.5
209.16489	0.9
210.16805	0.8
228.15865	0.7
256.14877	0.7
289.67465	0.5
298.23312	0.5
310.05435	5.0
348.24988	0.4
388.79874	0.7
397.80341	3.4
398.15720	15.7
398.24619	5.7
398.30139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22649	0.3
59.99122	8.4
72.04505	0.4
76.71308	0.4
77.01629	0.3
80.23481	0.3
88.02224	44.3
100.07621	1.6
116.05323	100.0
134.71942	0.3
148.02460	0.5
159.92854	0.3
250.30797	0.3
268.36096	0.4
310.05649	4.7
348.90262	0.4
398.15680	15.0
398.24484	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	398.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09642	0.5
60.59502	0.6
67.71367	0.6
70.06597	7.4
71.06121	5.7
71.08637	1.6
72.04516	1.0
72.08155	4.5
74.02429	1.8
77.00648	6.9
83.30559	0.7
84.04515	3.1
84.08159	6.7
85.02910	3.2
85.06572	1.2
85.08467	1.0
88.11272	17.6
95.06087	2.9
96.64323	0.8
104.07089	0.9
110.07121	1.5
113.06013	1.2
115.07642	0.8
115.08614	0.7
118.03245	24.7
120.01195	1.1
120.04784	1.7
127.12315	0.9
128.12697	1.0
130.03229	5.9
130.05020	1.3
132.04782	1.2
142.08646	4.0
147.02238	3.7
147.05879	100.0
149.07446	18.4
151.98349	28.7
152.07112	0.7
157.10898	0.8
162.02217	0.8
163.03854	5.2
164.04195	5.3
166.08629	1.1
168.04114	0.9
168.06551	9.4
169.06920	1.6
176.01997	1.3
181.04709	1.1
182.50842	0.7
184.09702	3.9
197.04140	4.7
205.04700	2.9
222.07185	0.8
231.09752	1.4
232.08145	4.8
236.14960	1.7
251.05193	1.0
259.11151	1.1
268.07840	96.0
280.09222	1.2
292.09326	1.0
292.58606	0.8
295.16461	1.8
297.34857	0.9
310.06433	1.2
327.82376	0.8
338.09628	0.9
352.11414	1.3
354.23856	1.5
380.13174	25.8
398.11783	3.6
398.16888	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	397.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91148	0.3
55.05522	0.3
59.27732	0.4
60.05643	0.4
62.74081	0.3
64.90153	0.4
65.33175	0.3
69.03398	0.4
70.06577	2.7
71.04997	0.5
71.26423	0.4
72.08160	18.8
73.02907	0.4
75.04478	1.0
82.06593	0.9
83.04973	0.6
84.05624	5.6
84.08126	1.6
85.02893	0.9
89.02518	0.4
89.10796	8.3
93.75621	0.4
95.06096	0.6
98.06046	1.0
110.06050	0.3
110.07127	0.5
111.04426	0.9
114.09132	1.7
115.08681	0.6
116.07105	0.6
117.03385	0.8
123.04392	0.5
129.05473	0.5
131.10666	0.4
135.04402	1.0
135.65529	0.4
138.10262	0.4
145.02872	2.9
147.04465	0.7
155.12871	0.7
163.03905	100.0
184.74559	0.4
197.13965	0.8
208.14384	0.4
219.11250	0.6
220.59441	0.4
227.14958	0.5
234.11276	9.4
235.06047	6.8
236.13885	3.9
251.13899	16.4
253.16716	0.5
264.13504	1.8
290.18665	0.6
291.08734	2.7
295.70697	0.6
297.23004	0.4
308.19656	2.9
309.09561	0.6
361.26144	0.5
364.84915	0.5
379.19540	0.8
379.23499	0.6
379.27274	2.6
397.19815	38.3
397.27856	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	397.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76751	0.2
52.48544	0.2
69.03424	0.4
70.06572	1.1
72.08157	5.3
74.64156	0.2
78.94920	0.2
84.08112	0.3
85.02901	0.2
89.10798	2.3
91.05457	1.1
98.06055	0.5
107.49269	0.2
114.09120	0.3
114.10271	0.8
115.08664	0.9
119.04945	4.4
124.70441	0.2
127.03867	0.3
136.76198	0.2
144.10204	0.2
147.04408	100.0
163.03886	2.5
164.04265	0.3
165.05492	0.2
165.23558	0.2
181.04977	0.3
192.80388	0.3
218.11717	3.7
234.11273	0.3
234.96849	0.8
234.99100	0.3
235.11630	1.2
235.14435	2.8
252.97922	0.5
309.09601	0.4
324.93393	0.2
329.87222	0.2
353.18277	0.2
380.17245	0.9
397.02441	1.2
397.19797	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	397.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
57.03428	0.4
59.35171	0.3
61.57204	0.3
69.03448	2.8
70.06573	0.8
72.08163	4.2
73.02922	0.6
81.03416	0.3
83.04989	7.1
84.30663	0.3
85.02916	10.1
89.10851	2.6
89.11277	0.5
92.91193	0.4
98.06020	0.7
99.04453	0.8
111.04453	5.0
115.08665	0.8
117.03364	0.5
119.33720	0.3
125.83425	0.4
129.05481	10.6
131.03407	0.6
135.04399	2.5
145.02863	5.1
163.03905	100.0
179.06839	0.4
204.18646	0.4
234.11243	2.7
251.13924	5.3
309.06009	4.2
397.16113	3.5
397.19940	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46410	0.5
67.14600	0.4
69.03450	0.9
70.06596	5.2
71.04993	0.9
72.08163	29.7
81.03421	0.5
84.04519	0.9
84.08149	17.9
85.02919	1.2
86.06082	4.0
86.09718	0.7
89.03928	0.8
97.07696	0.6
98.06097	0.7
101.10797	0.5
105.01906	0.5
107.05010	0.8
109.02914	0.6
112.11295	0.8
114.10320	3.3
115.08723	2.4
116.07079	0.6
117.03386	1.0
120.08108	0.8
123.04465	2.8
127.03979	0.8
128.86501	0.5
130.08693	3.7
131.01840	4.5
135.04437	5.8
137.05980	3.1
145.02843	7.6
147.03297	1.0
147.04446	3.0
149.02911	15.1
162.05498	0.7
163.03906	100.0
165.05492	0.8
179.07045	7.3
218.10254	18.7
234.11307	6.2
235.06001	0.7
235.12822	9.5
235.14594	0.6
236.12775	2.3
263.13885	2.6
264.39828	0.6
295.17709	1.0
313.15607	0.5
379.14865	0.9
388.20889	0.7
388.69830	0.6
396.69974	0.9
397.02127	1.5
397.07684	1.7
397.15894	52.0
397.20349	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	397.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.2
58.02481	0.2
69.03430	0.5
70.02951	0.2
70.06596	0.2
71.11277	0.2
72.08154	1.2
74.02444	0.8
78.05883	0.2
85.07673	0.4
86.06072	62.0
87.04467	0.8
88.03996	2.9
111.09207	0.2
112.07619	2.1
115.42907	0.3
116.03452	0.8
119.04994	0.2
134.04506	4.4
137.05986	40.1
142.05150	0.3
145.02850	0.4
147.04486	0.3
151.07565	0.9
155.08199	0.3
156.06563	4.0
163.03912	2.9
164.04683	1.5
177.05482	1.3
179.07033	100.0
183.07680	0.4
184.06033	4.9
194.88478	0.2
195.66057	0.2
201.08713	6.8
202.07112	10.3
219.09778	1.3
242.60480	0.2
245.72978	0.2
264.12320	5.5
298.98911	0.2
336.25272	0.2
351.15503	1.2
379.14923	4.6
397.15994	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	397.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74488	0.3
55.83863	0.3
57.41946	0.3
60.58429	0.3
69.03445	0.6
70.02959	0.5
70.06588	0.7
71.69871	0.3
72.08154	2.4
74.02436	0.7
83.32287	0.3
84.08157	1.8
86.06072	67.1
86.09719	0.8
88.04011	3.0
92.92332	0.4
95.06086	0.4
96.27762	0.3
110.07157	0.4
112.07605	2.1
113.09618	0.4
115.90211	0.4
122.03608	0.4
134.04483	4.0
137.05980	43.0
145.02870	0.7
151.07544	0.4
156.06548	5.0
163.03844	0.3
164.04726	0.6
177.05470	3.1
179.07031	100.0
183.11093	0.4
184.06018	4.5
201.08710	7.6
202.07083	9.4
202.45856	0.3
219.09688	0.6
246.11302	0.5
250.40802	0.4
264.12329	5.7
294.19055	0.5
307.24344	0.4
351.15900	0.6
379.14990	4.9
384.14944	0.4
397.15985	33.9
397.20041	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37943	0.3
59.86936	0.3
67.05493	0.8
67.61024	0.3
69.07051	0.3
69.32944	0.3
72.08149	0.9
74.75719	0.3
81.03410	0.4
81.07064	0.5
85.02937	0.5
91.05485	0.4
93.07055	0.6
97.06480	0.4
104.17899	0.4
105.07053	0.5
107.08589	0.5
114.09138	0.4
114.10345	0.5
127.00020	0.4
133.10080	0.5
179.10439	0.4
189.16357	0.5
217.15892	3.2
235.17024	0.6
243.04683	0.5
267.06607	0.4
287.03714	5.0
311.14352	0.6
335.46609	0.4
353.15576	5.1
379.21091	0.4
397.14691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1472
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
60.76325	0.4
67.05501	1.0
72.08156	1.0
72.21613	0.4
84.04492	0.6
85.95644	0.4
97.06507	0.6
103.05441	1.8
109.10104	0.7
110.20551	0.4
119.08559	0.6
120.08125	5.6
131.04945	10.1
131.12907	0.7
143.08588	0.5
147.11592	0.5
171.74171	0.4
173.16974	0.5
176.95120	0.5
178.08917	0.4
197.74567	0.4
205.14357	0.5
254.31470	0.5
287.03687	3.2
290.12296	0.5
311.14767	0.6
353.15646	5.8
379.16461	2.9
396.80054	0.6
397.14682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27158	0.9
54.21524	0.8
57.07090	17.3
70.62051	0.8
71.08644	15.2
72.92986	0.8
85.10195	15.9
89.06039	100.0
93.41619	0.8
100.92242	0.9
107.07101	1.1
126.71431	1.1
132.74374	0.9
133.08612	38.1
151.09657	2.2
177.11249	4.0
195.12352	1.1
210.75154	0.9
239.14903	68.1
260.74368	1.1
352.95261	1.2
376.09698	1.1
379.30573	63.0
396.33093	3.6
417.93533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11419	2.1
61.84703	2.0
78.21567	2.2
80.16795	2.0
83.04974	3.3
88.21835	2.1
110.09704	4.4
126.40800	1.9
184.07903	2.6
193.26770	2.6
226.12598	4.5
242.15724	11.8
252.14204	11.8
254.15746	32.6
268.18997	3.9
350.25058	3.6
360.23557	4.3
378.24597	32.9
382.19333	2.1
396.25598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80265	6.0
60.54221	7.7
69.03419	9.9
81.03447	15.4
81.56925	7.8
85.02924	100.0
87.00835	19.2
87.22643	7.9
93.73201	7.8
97.02879	32.9
105.01869	82.3
105.63879	8.5
109.02896	36.8
127.03915	66.9
145.04935	17.4
190.84859	7.9
231.04953	17.9
249.05969	19.0
255.09023	12.7
337.16684	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	396.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21841	0.8
53.03958	1.3
55.01885	6.9
55.89920	0.8
57.03437	2.2
61.02928	3.9
64.74306	0.9
69.03433	24.7
71.04993	2.3
71.08630	1.2
73.02905	4.6
81.03426	19.6
81.07063	1.1
85.02913	100.0
87.00835	35.7
91.03942	1.1
93.07084	1.2
97.02903	29.7
99.04469	15.0
105.01875	67.4
109.02893	31.4
114.81396	1.0
127.03922	71.9
129.01874	4.1
145.04964	22.6
145.22002	1.2
147.02879	1.2
147.61310	1.2
159.02881	12.5
172.26534	1.0
193.81056	0.9
201.00632	1.0
209.70216	1.0
213.03981	4.4
231.05025	28.6
241.75008	1.0
249.06047	14.0
361.18542	3.5
396.22534	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	396.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.05515	2.3
57.03421	1.3
61.02925	2.5
66.13496	0.6
66.20533	0.7
67.05511	47.0
69.03432	4.6
69.07059	0.7
70.06588	2.6
71.04972	0.9
72.08150	3.1
73.02903	0.9
75.62953	0.6
79.05505	6.0
81.03403	0.7
81.07078	4.9
84.08156	1.3
85.02910	10.7
86.09706	1.4
87.00813	1.1
87.04480	7.3
91.05466	1.3
93.07054	19.0
95.06116	0.8
95.08597	1.3
97.02879	3.5
97.10172	6.0
98.06017	0.8
99.04472	1.3
99.08057	1.0
100.02840	0.6
105.01884	0.8
107.08600	23.7
109.02859	1.4
109.06535	0.9
109.10162	62.2
111.04452	2.9
111.08073	5.7
113.09646	32.8
115.03935	5.8
117.07030	2.3
120.08125	0.6
125.09628	20.8
125.10514	1.1
127.03923	3.5
131.10712	5.1
135.08055	20.5
143.10707	1.0
145.04982	0.7
147.04353	0.8
153.09103	62.4
163.07573	1.2
171.10152	27.5
181.08585	1.1
199.09656	18.4
217.10709	100.0
217.88879	0.6
230.13902	2.7
342.69012	0.7
350.97461	0.7
371.31061	0.8
390.52512	0.7
396.15747	1.3
396.20297	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	0.5
72.08162	2.6
85.02898	1.2
89.03909	0.3
97.02926	0.3
98.55010	0.3
117.03345	0.5
145.02847	1.9
163.03900	81.6
180.06491	0.4
234.11249	100.0
396.16531	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
53.10006	0.8
55.01872	6.3
57.03443	4.0
61.02919	4.4
67.05521	1.6
69.03435	25.8
70.06586	1.7
71.04983	6.1
72.08147	5.3
73.02923	7.7
75.02138	0.8
81.03431	20.7
84.08146	1.1
85.02911	94.9
87.00831	38.3
87.04470	1.0
91.03970	1.5
91.05520	1.0
95.04981	1.2
95.06103	3.3
95.08598	1.7
97.02898	43.8
99.04465	16.9
100.02159	1.0
105.01877	77.1
105.07080	1.0
109.02885	43.8
113.06012	28.5
117.01836	1.6
120.08099	6.3
127.03918	100.0
129.01848	5.2
129.40871	1.0
131.07034	13.6
131.12968	0.9
136.07596	11.5
138.45799	0.8
139.74136	0.9
140.07066	2.3
145.04968	31.1
147.02916	2.1
159.02893	25.1
161.06065	1.1
164.45201	1.0
166.08646	5.0
179.06905	1.0
199.09726	1.1
208.98871	1.1
213.03845	6.9
223.00571	1.5
231.04996	48.9
237.02199	0.9
249.06035	19.9
250.99969	1.3
260.73975	1.1
279.09628	1.5
340.21362	1.0
343.10300	4.9
352.25952	1.0
355.01199	4.7
361.11191	12.1
379.12326	9.1
396.14651	4.7
396.25208	1.4
405.03348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99103	4.5
63.27541	0.8
70.06239	1.5
70.06599	40.5
72.04525	12.2
72.08169	16.5
74.09723	1.5
77.92751	0.8
86.06070	1.4
88.01770	1.0
88.02225	17.4
96.07877	0.9
98.06075	1.1
99.00395	0.9
100.07625	48.3
101.79640	0.9
113.07153	15.6
116.05317	36.2
119.00656	0.8
139.42239	0.8
149.00589	4.7
151.02138	5.0
152.82813	0.9
177.00066	66.5
182.48361	1.1
194.02827	1.2
206.95715	9.4
234.95203	75.8
246.05885	1.5
256.47388	0.9
263.06168	1.5
263.08771	1.2
282.06213	3.6
306.02542	16.0
308.04099	11.8
333.33743	0.9
362.15369	8.5
379.11475	12.8
396.14145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2797
Annotation	Tylactone
Peak:m/z	Relative Intensity
51.07902	0.8
55.05524	4.1
57.03448	5.0
57.07073	1.7
67.05522	15.7
69.07062	2.6
71.08641	67.8
79.05511	16.8
81.03442	1.5
81.07082	15.6
83.04972	4.4
83.08628	1.3
83.68351	1.1
85.06551	4.4
91.05484	17.8
92.18357	1.4
93.07045	19.9
95.04958	2.3
95.08607	8.0
95.33842	1.1
97.06540	9.9
99.08107	34.7
99.08710	2.2
105.07046	19.1
107.08598	7.2
109.06551	2.1
109.10161	5.6
112.84604	1.2
117.06995	9.3
119.08601	19.0
121.10132	12.4
123.08030	1.7
127.11188	2.2
129.05475	1.3
129.06995	8.4
131.08577	20.0
133.05171	1.0
133.10124	7.8
135.08078	2.5
135.11693	4.2
137.09642	1.6
139.11189	1.4
141.06967	1.1
143.08617	2.1
143.10732	2.7
145.10161	18.7
147.11690	5.9
149.09680	1.6
150.25867	1.1
151.11183	8.6
153.12807	1.5
155.08461	1.5
159.11720	6.2
161.13287	4.6
163.11197	2.2
167.10770	1.2
169.10127	4.2
171.11699	45.6
173.13194	1.2
183.11768	4.5
185.13295	4.7
187.14859	12.5
189.12706	8.1
197.13362	4.3
201.16364	8.2
205.15875	11.3
211.14951	4.3
219.17462	12.5
241.48848	1.1
257.22610	1.3
267.21075	6.9
285.22092	12.3
303.23138	12.4
324.44836	1.4
329.07489	1.1
377.26889	100.0
395.27625	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	395.2795
Annotation	2-glyceryl-11,12-EET
Peak:m/z	Relative Intensity
55.01875	3.8
55.05509	10.3
57.03453	13.1
57.07086	11.9
67.05512	32.0
69.03412	1.9
69.07073	19.8
69.18407	1.3
71.04982	9.4
71.08621	8.5
79.05511	20.2
81.03420	3.2
81.07066	40.0
83.04982	4.0
83.08631	2.7
85.02925	1.6
85.06544	7.1
85.09789	1.6
85.10191	29.0
91.05489	41.8
93.07056	23.4
95.04961	7.9
95.08614	19.0
97.06513	12.2
99.04438	2.9
105.07046	21.3
105.71786	2.2
107.08595	24.3
109.06502	8.1
109.09479	2.9
109.10161	34.8
113.09650	18.9
117.07006	10.3
119.08582	44.9
121.06554	1.7
121.10137	12.1
123.08059	2.2
123.11709	3.8
129.05476	8.1
129.06984	2.9
131.08582	19.9
133.10121	32.4
135.11682	9.7
137.09604	6.6
141.06973	3.0
141.12759	1.8
143.08626	2.2
145.10101	8.1
147.11710	8.6
149.09634	3.2
151.11145	9.4
155.98558	2.0
157.10138	18.2
159.11714	4.0
161.09578	2.4
161.13210	1.8
163.11093	2.3
165.12793	17.3
169.10126	2.9
169.12257	9.9
171.11665	9.8
173.13254	14.2
175.11220	16.6
181.12253	2.0
183.11671	2.3
185.13264	2.3
191.14268	9.7
201.12805	2.4
205.15884	6.9
219.17465	20.7
257.22583	6.3
267.21060	7.8
285.22137	25.7
295.18982	3.8
303.23172	39.3
321.24243	4.1
377.26816	22.0
395.27933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	4.1
72.04532	2.6
81.07052	2.2
88.02222	3.4
91.05491	1.6
93.07064	2.5
95.08572	2.9
100.07626	10.2
105.07027	2.6
116.05335	12.8
121.10114	2.7
175.11194	2.5
188.08405	2.2
203.10712	23.3
206.24619	1.7
259.11166	2.0
259.16937	100.0
336.12662	13.0
391.32904	1.9
395.20007	10.1
395.24518	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	395.2794
Annotation	2-14,15-EG
Peak:m/z	Relative Intensity
50.33371	5.1
53.70032	5.0
54.08825	6.3
55.01874	5.5
57.03433	11.2
57.07074	11.0
67.05497	41.4
69.07085	15.2
70.12172	6.9
71.04980	7.3
71.08614	8.1
79.05501	16.1
81.07048	45.6
85.10163	34.2
91.05478	49.9
93.07040	28.5
95.08610	28.9
97.06554	12.1
99.04441	7.2
100.11403	7.1
105.07038	14.7
107.08566	15.6
109.06529	7.6
109.10162	29.9
113.09644	16.4
117.07022	9.1
118.77435	6.6
119.08590	52.1
119.42130	6.6
123.11684	8.7
129.05548	7.7
131.08559	30.8
133.10103	25.0
137.09731	8.5
145.10103	11.8
151.11133	7.4
157.10114	11.6
161.13252	10.3
165.12738	11.1
171.11681	12.9
173.13248	28.6
175.11166	11.7
219.17429	14.7
267.20981	10.0
285.22308	23.9
290.32001	6.6
295.19077	14.3
300.60651	6.7
303.23245	32.1
377.26959	12.2
395.22601	11.7
395.27924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50567	0.3
55.01870	0.4
57.03439	0.8
61.02929	2.9
64.90258	0.4
69.03433	6.2
71.04971	0.6
72.08139	0.8
73.02925	2.3
73.78234	0.4
81.03403	2.0
85.02914	27.7
85.03425	0.9
87.04470	3.5
91.03953	2.6
97.02888	8.6
99.04446	2.7
109.02901	3.6
109.03516	0.4
115.03920	0.4
127.03923	8.7
132.08067	2.1
142.97960	0.4
143.07291	6.6
145.02873	0.7
145.04951	5.5
147.64532	0.4
148.07559	2.9
150.87068	0.4
158.09653	45.4
160.11205	6.2
172.11224	2.2
176.10709	100.0
177.05464	1.9
188.10696	0.7
215.15384	0.5
218.11835	0.8
302.13760	0.7
320.14908	0.8
338.11777	0.6
338.12894	0.8
338.15973	45.7
395.21802	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	395.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41574	0.5
59.49608	0.6
65.61361	0.5
70.06567	0.6
71.26507	0.6
72.08148	1.2
74.96619	0.5
85.07631	0.9
95.93732	0.6
103.05442	0.7
146.82538	0.6
147.04404	2.4
175.06360	0.8
177.05420	1.4
189.01830	0.8
189.05603	1.0
196.62871	0.6
199.06238	0.9
202.08661	1.4
203.09419	3.4
204.10165	1.2
207.02924	0.7
232.09601	6.0
244.10820	4.0
245.11728	1.2
246.11232	48.7
249.12399	0.7
256.09656	10.0
263.13995	8.0
272.09082	1.3
274.10699	23.0
276.08649	5.9
288.13434	14.3
291.13327	7.9
298.11771	1.3
300.08551	2.7
305.16046	4.9
314.11438	3.5
316.12915	12.5
318.09824	11.2
332.12491	3.2
333.15521	10.2
336.10779	16.3
353.13461	1.3
360.12231	1.3
375.19025	0.7
378.12946	7.0
395.15659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41574	0.5
59.49608	0.6
65.61361	0.5
70.06567	0.6
71.26507	0.6
72.08148	1.2
74.96619	0.5
85.07631	0.9
95.93732	0.6
103.05442	0.7
146.82538	0.6
147.04404	2.4
175.06360	0.8
177.05420	1.4
189.01830	0.8
189.05603	1.0
196.62871	0.6
199.06238	0.9
202.08661	1.4
203.09419	3.4
204.10165	1.2
207.02924	0.7
232.09601	6.0
244.10820	4.0
245.11728	1.2
246.11232	48.7
249.12399	0.7
256.09656	10.0
263.13995	8.0
272.09082	1.3
274.10699	23.0
276.08649	5.9
288.13434	14.3
291.13327	7.9
298.11771	1.3
300.08551	2.7
305.16046	4.9
314.11438	3.5
316.12915	12.5
318.09824	11.2
332.12491	3.2
333.15521	10.2
336.10779	16.3
353.13461	1.3
360.12231	1.3
375.19025	0.7
378.12946	7.0
395.15659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.01892	0.5
61.02921	1.8
67.12048	0.4
68.99789	0.8
69.03434	6.8
69.07063	2.6
71.05003	0.5
73.02918	0.6
77.50050	0.5
79.73750	0.4
81.03427	9.2
85.02919	8.6
87.00835	4.0
91.05492	4.6
95.04971	1.0
97.02891	5.1
99.04456	2.1
103.05481	44.1
105.01877	0.8
109.02894	10.4
111.11768	0.9
121.06496	0.6
121.87270	0.5
123.04431	0.6
127.03925	12.7
129.01846	2.2
129.12743	0.8
135.04385	0.5
135.07997	0.5
137.09633	0.6
145.04970	2.5
147.04419	100.0
148.75949	0.5
159.02876	0.9
163.04077	0.5
199.36946	0.4
213.03906	5.7
231.04929	3.4
249.14943	1.8
395.09824	6.9
395.21667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.2
55.01876	0.3
55.05519	0.3
57.03434	0.4
61.06893	0.2
69.03455	1.7
70.06595	1.4
71.82912	0.2
72.08160	3.3
73.02917	0.4
81.03410	1.9
84.04498	0.3
84.08141	1.1
85.02914	3.8
86.09709	0.3
87.00831	1.3
88.03971	0.3
89.10780	0.4
97.02892	1.3
98.06049	1.2
99.04436	0.9
102.01060	0.3
105.01870	1.2
109.02869	2.0
115.08689	0.4
120.08102	1.3
127.03139	0.3
127.03941	2.9
129.02161	20.8
136.06230	0.2
138.05550	0.3
145.04918	0.3
146.06009	0.5
147.03206	100.0
159.02870	1.0
163.03960	0.3
177.05472	0.4
184.31555	0.2
191.03647	0.3
199.04732	0.2
203.03383	2.9
223.99005	0.2
230.07704	0.2
233.15192	0.4
234.99107	0.3
238.41231	0.2
245.04462	0.3
247.02400	0.2
309.08502	1.0
335.08109	0.8
335.12192	0.2
351.09592	0.2
363.11783	1.9
395.08557	20.4
395.14163	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28058	0.9
67.24840	1.1
72.08162	1.5
83.99223	1.1
84.81721	1.1
85.02931	2.5
88.03997	2.3
89.04333	1.3
89.45134	1.3
90.07884	1.1
101.00886	8.5
119.01927	16.3
127.02430	5.5
131.01927	1.3
133.03534	1.4
138.06366	1.7
141.03975	11.6
143.01917	23.1
145.03473	18.0
155.01892	1.8
159.05019	25.2
160.07559	11.1
161.02979	12.8
163.04503	1.6
169.03461	100.0
170.04237	1.2
170.42979	1.2
171.01398	5.5
171.05052	1.8
173.02957	2.5
181.03497	2.7
185.02997	2.7
187.04532	83.4
187.55388	1.3
189.02469	16.7
195.01399	2.4
199.04549	2.7
203.04060	4.8
213.02441	28.6
215.00336	2.3
229.05664	2.7
231.03522	29.4
233.01514	1.6
233.09349	5.4
236.14998	2.6
257.01346	8.3
275.02509	78.0
287.02481	1.7
289.07523	2.7
293.03592	12.5
305.03610	1.3
315.05643	1.4
317.03406	2.2
335.04575	37.0
359.04541	5.9
377.05698	12.9
395.06317	31.3
395.21417	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	394.9814
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90088	0.9
64.77231	1.0
95.06097	1.7
129.06950	1.0
142.51935	1.1
154.13400	4.8
157.35103	1.1
198.12372	5.4
222.98758	1.0
255.24945	1.2
394.98105	100.0
417.95926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	44.2
61.37795	0.8
64.13903	0.7
69.07083	2.2
71.08637	43.3
72.43372	0.9
85.10185	24.4
87.04498	1.1
89.06035	51.6
91.81120	0.8
99.11719	1.0
107.07076	1.4
113.13229	1.1
133.08629	15.6
151.09720	1.0
177.11237	1.9
195.12292	27.2
232.80449	0.9
236.33832	0.8
265.23029	0.9
377.32620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12262	3.4
67.05489	4.6
68.74944	4.4
69.07056	4.5
69.55120	3.7
76.40282	3.8
81.07070	9.5
95.08613	8.2
100.07568	4.2
107.08603	4.4
111.08089	8.0
212.23822	4.4
238.17435	4.1
239.66217	4.7
248.66747	4.4
376.28317	24.6
394.29718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30626	2.0
55.01880	1.8
55.05511	4.4
56.89048	2.0
63.12953	1.9
66.29959	2.1
67.05502	15.3
69.03427	9.8
69.07061	11.0
70.06582	15.8
71.04986	3.8
72.08167	22.3
73.29330	2.2
74.00694	2.2
79.05505	16.4
79.99804	2.1
81.03433	3.7
81.07062	100.0
83.08626	4.7
84.04523	4.0
84.08134	4.6
84.96676	2.1
85.02913	14.0
86.00652	11.8
86.09714	9.4
87.08046	2.3
88.02212	11.4
88.03973	11.4
91.05487	9.5
93.07046	35.7
95.04962	9.8
95.08617	29.3
97.02901	4.6
97.06534	14.4
97.10159	2.8
99.04435	2.9
101.04243	12.3
105.01909	3.5
105.07040	22.7
107.08610	49.9
109.06529	36.8
109.10168	49.1
111.02650	5.2
111.08105	18.5
113.04210	10.5
117.07059	2.4
119.08573	26.4
120.01123	2.6
121.10148	35.6
122.02738	8.2
123.08074	5.4
123.11710	3.4
125.09625	4.7
127.03937	5.2
129.06970	2.4
131.08594	5.2
132.01158	14.1
133.06473	12.7
133.10135	21.5
134.02750	3.5
135.08058	5.1
135.11697	24.9
137.09605	14.6
139.11214	4.8
143.08670	3.2
145.10115	29.5
146.02687	2.7
146.11794	8.3
147.11684	9.9
149.13159	5.0
151.05725	3.1
151.07556	78.6
151.11201	14.5
152.45842	2.4
159.11714	21.2
161.05969	21.0
161.13254	14.0
163.03987	2.7
163.11121	9.4
169.06863	9.4
169.08531	5.3
171.06747	2.6
171.08360	4.9
173.13242	4.4
175.14981	2.7
177.24622	2.4
179.07018	11.4
179.10718	2.5
187.07896	3.9
197.08090	46.4
201.16391	29.8
212.11009	3.3
215.09171	19.5
219.17377	34.6
227.11571	3.1
228.10219	3.5
233.13225	2.2
237.18486	42.4
251.14732	4.4
255.11287	74.0
256.09601	2.6
256.12021	13.4
258.11685	4.6
269.15643	2.8
287.08551	5.3
289.09952	16.7
314.11960	2.3
340.19391	94.2
358.20505	83.7
376.13336	60.3
376.21393	30.3
394.22253	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	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01877	6.6
55.05511	7.2
55.05741	1.1
57.03444	5.8
57.07073	1.6
60.06284	1.2
61.02931	2.5
67.05530	1.4
69.03436	31.9
69.07079	56.6
69.56547	1.2
71.04987	6.2
73.02927	5.9
79.05522	1.4
81.03433	22.9
81.07092	2.8
83.04987	2.2
83.08611	1.8
85.02915	100.0
85.06551	7.1
86.09729	2.8
87.00845	35.1
87.04458	1.7
93.07052	5.3
95.04974	1.8
95.08619	5.2
97.02903	29.6
97.06564	1.7
99.04478	13.6
103.03950	1.7
105.01881	34.3
105.07050	4.6
107.08610	7.5
108.04488	1.6
109.02892	28.7
109.06537	1.9
109.10149	7.6
111.04441	2.3
111.08088	13.8
111.11732	17.4
115.03948	5.0
119.08563	1.3
121.06503	1.8
121.10133	2.8
123.11690	5.5
126.05476	1.1
127.03928	61.0
127.11220	6.5
129.01849	4.9
129.12747	12.3
131.08577	2.0
133.10164	4.8
135.08099	1.7
135.11716	5.0
137.06123	1.2
137.09659	6.3
137.13251	1.2
139.07520	6.6
139.11174	2.6
141.12764	7.4
143.08554	2.3
145.02817	2.8
145.04980	14.4
147.03006	1.7
147.11659	1.5
149.09537	1.3
151.11105	1.5
152.10727	2.4
153.12834	1.5
159.02898	15.0
159.11740	1.9
161.09671	4.4
161.13275	1.4
169.12271	1.6
170.11699	1.7
177.05510	6.6
177.12738	2.7
178.05792	5.1
179.10751	6.6
179.41443	1.2
181.12227	1.1
189.04033	1.9
195.13805	5.1
201.03902	1.5
201.12744	5.6
213.04030	2.0
219.13858	7.2
231.04977	11.1
237.14925	14.0
248.07645	1.8
249.06114	2.3
255.15958	4.8
273.17059	2.8
283.11926	1.3
297.17062	17.7
323.14975	38.2
341.15887	11.4
359.16968	7.1
376.21158	7.5
394.20584	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	394.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26124	1.5
53.03960	1.8
55.01871	7.1
55.05510	10.2
57.03436	8.4
60.12236	1.6
60.48736	1.5
61.02927	3.4
67.05495	3.7
69.03432	31.7
69.07073	66.5
71.04987	4.2
72.08160	3.0
72.75540	1.5
73.02902	7.9
74.99634	1.6
75.23534	1.6
81.03413	16.0
81.07055	8.3
85.02912	100.0
85.03426	3.8
87.00826	35.3
93.07025	2.7
95.08588	2.5
97.02892	33.2
97.06529	9.4
99.04443	10.2
105.01877	59.6
105.07050	2.6
108.04436	1.6
109.02888	29.4
109.10159	2.3
111.08103	4.0
111.11709	10.9
114.09178	2.2
121.10148	2.2
126.05476	2.2
127.03918	60.7
129.01871	3.6
129.09157	1.7
137.05939	3.0
139.11169	3.8
145.04956	21.7
145.10208	2.7
159.02887	15.9
163.03915	2.7
165.87674	1.8
169.12257	4.2
179.10632	2.6
189.04002	2.1
207.06517	40.3
219.13875	3.5
220.62920	1.7
231.04962	19.2
233.14639	1.6
237.14899	9.9
248.07645	3.0
249.06133	12.7
255.15912	1.8
266.91461	2.1
271.13089	1.9
297.16882	8.7
303.12262	30.4
323.14984	23.9
335.14908	54.3
341.15909	6.8
359.17120	8.2
394.22214	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15081	2.3
52.94557	2.1
53.02447	2.5
55.01867	4.6
60.65371	2.3
67.05474	2.5
69.03438	25.2
69.07070	32.8
73.02936	2.8
74.91552	2.4
81.03413	20.2
85.02908	100.0
87.00838	32.6
95.08554	3.3
97.02888	34.1
99.04462	16.7
105.01875	69.2
108.04488	2.7
109.02891	30.3
109.66957	2.7
121.02229	2.8
127.03927	65.6
145.04973	28.8
150.05309	2.6
152.55971	2.5
159.02922	11.8
231.04921	22.3
235.97688	2.4
249.05910	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	394.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08397	1.8
55.01868	4.6
55.05520	7.8
57.03437	4.1
58.36213	1.8
61.02940	3.6
69.03442	37.6
69.07076	44.7
70.44100	1.9
73.02918	2.5
81.03431	21.1
82.51383	2.0
85.02419	3.9
85.02917	98.7
85.53222	2.3
87.00832	40.9
91.03983	2.6
97.02902	42.7
99.04465	16.3
101.27949	2.6
105.01876	100.0
108.04468	2.4
109.02901	31.1
111.11726	7.9
127.03929	91.3
127.04877	3.6
129.01852	4.1
145.04976	36.4
152.12280	2.1
159.02872	12.8
189.03998	2.3
201.04121	2.1
214.41965	2.0
231.05023	35.1
242.95062	2.5
249.06033	24.2
347.62799	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	394.201
Annotation	Tylophorine
Peak:m/z	Relative Intensity
50.57767	0.4
51.32753	0.5
51.98731	0.5
54.24650	0.5
56.05025	0.6
58.06601	0.8
69.07066	0.6
69.82984	0.6
70.06595	100.0
71.08617	3.4
72.08154	3.2
73.41772	0.5
74.06083	4.1
84.04498	0.9
84.08133	1.4
85.02911	0.8
86.09698	10.7
88.07631	32.1
88.11267	24.9
97.02867	0.8
98.06031	0.9
99.05579	3.5
102.05538	2.4
107.08619	0.7
109.02878	0.5
109.10138	0.8
111.04468	1.0
116.05289	1.2
120.06588	9.9
120.08085	0.6
127.12315	21.8
129.05463	0.8
129.10196	0.8
130.05005	3.1
146.06036	4.1
148.04271	2.7
150.09137	0.9
152.10707	1.4
155.11787	41.9
166.12274	1.2
171.07600	1.0
182.04465	1.0
183.11348	3.2
183.14929	21.3
200.09116	0.7
211.14326	1.1
215.13908	1.1
216.10608	0.7
245.62788	0.6
247.14775	13.2
263.06812	0.7
271.12857	1.3
275.14191	10.7
284.16055	7.4
299.15973	0.7
302.17334	0.8
312.19128	1.3
330.20306	6.6
376.19214	6.2
394.20087	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63393	0.7
54.47948	0.7
58.06596	1.3
60.04516	4.4
70.06600	100.0
72.08166	7.0
74.06071	3.4
84.08170	1.2
86.09716	16.2
88.07103	1.2
88.07635	30.4
98.06046	1.0
99.05573	4.7
102.05521	2.0
109.10158	1.5
114.10291	1.6
116.05287	3.5
120.06607	9.8
127.12325	23.4
130.05019	1.4
131.12971	1.4
148.04297	1.4
150.09183	1.4
155.11807	42.7
156.12604	1.6
157.10838	3.6
163.03836	1.2
178.04965	2.0
180.06558	1.6
183.11290	1.9
183.14946	24.4
211.14420	1.5
212.67393	0.8
215.14064	1.0
218.08151	13.2
233.15047	1.0
237.15067	0.8
246.07686	3.3
247.14786	15.4
271.12759	0.9
275.14249	10.4
284.16010	9.5
330.20282	5.3
376.18961	5.6
376.23282	1.8
394.20212	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13340	0.5
54.60078	0.7
55.05519	0.8
60.38321	0.6
64.64315	0.7
65.48019	0.7
67.05501	1.5
70.06590	3.9
72.08161	6.7
79.07178	0.7
84.04483	1.5
84.08134	1.7
85.02872	1.1
86.09713	3.1
87.05581	0.8
88.02232	0.9
88.03997	7.0
91.05455	1.1
93.07052	0.9
95.04960	1.4
95.08610	0.9
96.04469	0.8
108.08126	4.8
120.01168	8.4
120.04435	1.3
120.08092	4.0
122.06039	1.9
127.07656	1.0
129.10242	1.0
133.62675	0.7
136.07593	7.3
138.05501	5.6
146.11758	1.4
154.03200	3.5
156.04703	1.1
161.07079	6.6
162.02228	0.8
164.06920	0.9
166.08667	0.9
168.04811	1.5
170.02679	3.6
180.04785	0.8
181.09766	1.0
182.09558	0.9
195.05882	13.3
198.07857	1.1
199.12300	1.2
200.10817	2.6
210.09070	1.6
212.09285	1.2
213.06842	0.9
215.11766	1.0
216.29225	0.8
226.07343	1.0
226.11073	0.8
227.08151	4.5
227.11777	22.7
228.10268	8.6
229.09677	1.7
239.08040	0.9
240.08926	3.4
241.06425	16.1
241.09702	4.9
242.10535	4.3
243.11249	10.5
245.12932	6.4
252.04898	0.8
253.09715	1.6
255.11281	39.0
256.09641	2.9
256.12045	1.5
257.12979	3.2
258.09708	0.8
259.08795	1.0
261.06909	1.1
261.10596	3.7
262.08994	13.0
273.12317	40.9
287.08517	6.0
287.11896	1.0
289.10031	15.2
291.32773	0.9
295.14645	0.8
305.09470	5.1
307.11237	3.1
315.11679	3.5
331.11090	3.5
332.14130	0.9
348.13629	1.4
349.12125	4.5
376.13214	24.6
377.11600	1.6
394.14297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	1.3
60.08175	9.4
67.04254	7.4
68.05025	3.7
76.25596	0.5
83.06110	2.4
88.44051	0.4
90.04637	0.6
95.06079	8.1
101.15373	0.5
107.06081	9.9
120.08099	2.4
125.01698	20.5
126.02500	3.6
127.03264	38.1
137.05994	0.6
143.02769	0.8
147.04404	2.6
155.01567	1.1
172.84761	0.6
179.01617	2.5
180.01147	1.1
185.09956	0.9
186.03732	1.3
206.02710	4.1
214.03198	3.7
215.08197	0.9
216.08940	9.3
232.04271	49.9
234.02280	0.6
248.03738	3.0
248.06088	0.9
249.06900	24.5
273.03943	1.1
273.06915	34.2
274.05362	2.6
291.07974	35.4
300.73926	0.7
307.07516	1.2
350.15329	100.0
394.14362	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	393.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21823	3.9
51.97855	3.7
57.07079	46.5
57.48495	3.9
66.15528	3.4
68.53282	3.9
71.08629	35.2
83.08644	4.7
85.10182	28.3
89.06036	100.0
98.98454	6.0
133.08588	38.0
155.01070	29.2
177.11169	6.3
230.31706	4.5
239.14877	34.7
243.23175	4.3
243.79051	3.9
261.29337	4.7
349.29343	4.1
366.46838	4.5
393.31937	31.8
417.25281	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	393.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69267	0.2
57.34926	0.2
57.78162	0.3
70.06595	1.5
72.04521	0.4
72.08135	2.4
79.05500	0.4
81.03420	0.5
84.05613	0.4
84.08156	13.3
93.06990	0.4
95.04980	0.4
98.06055	0.2
112.07612	0.6
114.09174	17.1
115.08682	1.1
127.08659	1.2
131.11827	2.5
137.09607	0.3
143.11810	34.1
149.09677	0.4
156.11276	0.5
157.09717	1.8
157.13403	0.5
167.10645	0.5
173.13983	0.6
193.13371	5.5
239.23215	0.3
246.12401	0.7
261.19632	1.7
264.15964	0.3
281.18536	0.4
282.17047	1.1
297.21780	0.5
299.19882	0.3
308.31372	0.3
315.22858	1.5
333.23779	1.1
351.24890	7.9
375.25763	1.1
376.24445	0.4
393.27084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2638
Annotation	Xenimanadin C
Peak:m/z	Relative Intensity
52.29659	9.9
55.01881	9.0
67.05519	12.8
69.07095	13.3
71.08633	25.1
91.05466	17.9
91.16970	9.8
92.17783	11.3
93.07053	13.9
95.08563	11.2
101.27021	9.2
105.07027	11.0
119.08614	18.3
122.39529	10.5
145.10118	11.9
155.01007	24.1
301.21640	12.1
301.94839	12.6
378.78336	13.8
393.26556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2637
Annotation	Xenimanadin C
Peak:m/z	Relative Intensity
55.01883	2.2
55.05525	2.2
57.03422	2.1
60.71650	1.0
61.93873	1.1
67.05515	8.7
69.07076	10.9
71.08643	12.5
72.12615	1.0
78.12352	1.2
79.05501	9.2
80.13133	1.1
81.03452	2.3
81.07059	7.1
83.04987	1.8
83.58389	1.1
91.05486	22.9
92.17829	1.6
93.07043	9.7
95.04963	5.3
95.08606	2.6
97.06509	2.2
99.08096	6.1
105.07082	8.3
107.08595	6.0
113.06018	1.4
117.07023	5.3
119.08591	17.2
121.06503	1.6
121.10147	1.9
129.05528	1.7
129.07022	1.9
129.85985	1.1
131.08540	2.0
133.10150	12.9
135.11717	1.9
137.09631	6.0
143.08578	6.5
145.10164	1.2
151.11165	2.5
157.10179	1.8
161.09648	10.9
169.09999	1.6
179.10612	2.1
187.11208	3.0
203.69342	1.4
217.15991	2.3
283.20523	2.1
301.21631	10.9
315.21512	1.2
319.22702	6.2
329.14188	1.3
338.26776	1.3
339.30917	1.2
347.51599	1.2
363.61642	1.2
375.25320	1.5
393.26120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18373	2.2
68.45750	2.6
68.91034	2.4
71.38148	2.4
98.98431	3.3
132.40791	2.4
134.74455	2.6
155.01073	4.9
291.36932	2.7
305.63708	2.8
351.43198	2.5
393.26099	100.0
394.56470	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30181	1.6
58.27589	2.0
59.73654	1.9
62.27444	2.1
71.00623	1.9
79.05439	2.3
90.26265	2.0
91.01765	2.1
94.34060	2.1
98.06153	2.2
113.49159	2.1
120.38268	2.0
231.58176	2.3
393.26105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	3.6
64.08531	0.5
65.77616	0.4
67.05502	0.7
69.07076	0.9
71.08616	3.2
80.95670	0.4
81.07085	0.5
91.05476	2.5
93.01922	0.4
93.07041	0.8
94.99851	0.5
95.05018	0.5
99.08097	1.2
99.86292	0.6
105.07030	0.6
105.61467	0.5
110.35175	0.5
117.06934	0.5
119.08556	0.8
119.76869	0.4
123.81555	0.5
129.05521	0.6
132.38571	0.5
133.10117	2.5
143.08585	0.5
146.93066	0.5
157.10143	0.5
161.09581	1.2
187.81427	0.5
197.49011	0.5
208.11606	0.7
301.21695	0.6
309.20023	0.8
375.24844	2.1
393.26105	100.0
408.99768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2266
Annotation	Sarcrassin B
Peak:m/z	Relative Intensity
51.84286	0.6
53.26968	0.6
55.85091	0.6
59.80091	0.7
64.66921	0.7
69.72470	0.6
70.06579	1.3
72.04533	1.6
72.08150	6.1
81.03430	1.2
81.07063	0.9
84.07679	1.1
84.08149	23.6
85.02908	1.1
107.08603	0.9
109.02876	1.0
114.08379	1.5
114.09175	36.9
127.03911	1.6
127.08719	2.6
131.04935	0.9
133.06509	1.0
137.06061	0.9
143.11807	58.9
148.29784	0.7
157.09747	1.7
163.07399	0.8
167.07062	7.1
167.41463	0.9
172.14699	0.8
173.12744	1.1
173.14073	1.6
177.09102	6.2
181.04930	1.1
193.08609	4.6
203.07053	1.1
217.07359	1.1
239.15034	5.1
251.11522	1.6
257.16101	0.9
261.18594	0.8
275.12640	9.6
276.11200	1.6
282.12531	1.0
289.10611	1.0
293.13821	7.0
321.22934	1.6
333.19342	1.3
339.24011	1.2
349.56458	0.9
358.19043	1.1
375.21729	8.4
393.22659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2265
Annotation	Sarcrassin B
Peak:m/z	Relative Intensity
61.74189	0.6
70.06584	0.9
72.04520	1.1
72.08161	4.7
73.25755	0.4
76.00242	0.5
81.07071	0.5
84.07674	0.9
84.08150	20.4
107.08614	0.5
112.07606	0.9
114.09174	26.8
127.08660	1.2
131.11761	0.7
143.11803	48.9
149.09544	0.6
157.09766	1.0
173.12701	0.9
173.14006	2.0
239.14975	5.4
251.11589	1.1
275.12698	7.8
276.11108	2.6
282.12625	0.8
293.13739	7.5
303.21884	0.8
321.22968	1.1
333.19406	2.5
339.24081	0.8
351.20435	4.2
357.20538	0.9
357.24829	0.7
358.18954	1.1
375.21561	7.8
376.20035	1.2
393.22629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2266
Annotation	Sarcrassin B
Peak:m/z	Relative Intensity
59.66597	0.6
69.03417	0.4
70.06591	3.0
72.04515	0.7
72.08165	4.7
79.05519	0.8
81.03400	0.6
84.08154	16.6
95.08601	0.6
97.06531	1.3
99.02353	0.5
105.07050	0.9
107.08616	0.9
109.06593	0.7
112.07676	0.8
114.09184	19.0
115.08640	0.6
119.08570	1.0
121.12513	0.5
123.04424	0.8
129.06610	2.1
131.11800	0.7
135.08034	0.5
137.06015	6.2
143.06244	1.1
143.11807	37.0
147.08018	0.7
149.09648	0.8
151.03955	3.0
155.82924	0.6
157.09711	1.3
157.13393	0.9
159.05760	0.8
163.03952	1.0
163.07520	1.2
166.12317	0.7
167.07030	4.0
173.12950	1.2
175.07590	0.6
178.06219	2.1
178.69200	0.5
185.07233	0.6
193.08624	0.6
193.13420	1.0
197.08070	0.8
267.83261	0.6
278.83905	0.6
280.50449	0.6
299.15173	0.7
333.19403	2.7
351.20496	8.3
358.18878	4.3
375.21494	0.8
376.19986	5.1
393.12146	2.1
393.22687	100.0
416.20807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2266
Annotation	Sarcrassin B
Peak:m/z	Relative Intensity
69.03426	0.5
70.06593	1.0
72.04510	3.2
72.08157	5.5
81.07063	0.6
84.08153	25.3
85.02892	2.1
86.09721	0.5
92.00642	0.5
94.01125	0.5
107.08576	0.6
114.09175	32.9
115.08694	0.8
119.08538	0.5
120.08135	0.6
126.06619	0.5
127.08678	2.3
132.08076	2.4
143.11810	65.0
156.11371	0.7
157.09775	1.1
159.09167	6.3
160.07570	7.7
173.12823	3.0
173.14088	1.1
216.08827	5.7
225.10327	1.0
228.07866	1.2
237.14458	0.5
239.15114	2.7
240.08760	2.9
251.11456	0.8
268.08347	0.6
275.12674	3.5
276.11093	1.2
276.64084	0.5
289.11838	1.2
293.13629	4.3
299.15277	0.5
300.10947	4.6
321.22891	1.0
333.19363	3.9
339.24133	2.0
341.16727	0.6
358.18961	2.8
375.11725	5.0
375.21548	9.9
393.14975	3.1
393.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2261
Annotation	Arg Phe Ala
Peak:m/z	Relative Intensity
59.05017	0.5
60.04494	0.5
60.27058	0.4
69.36771	0.5
70.06583	2.8
72.04511	3.4
72.08158	5.7
72.85893	0.4
79.05510	0.6
81.03380	0.7
81.07032	0.9
84.08150	26.3
86.54938	0.5
93.07018	0.6
98.09669	0.8
105.07035	3.1
107.08533	0.7
109.10188	0.6
114.09171	33.2
115.08730	0.6
121.10063	0.5
127.03873	0.6
127.08679	3.0
131.08484	0.8
141.04675	0.6
143.11800	34.0
148.11200	0.7
151.03806	0.5
157.09662	0.8
157.13350	0.8
169.00356	0.5
174.93819	0.5
177.43224	0.5
181.04976	0.7
191.08165	1.1
261.19308	0.5
274.15701	1.0
333.19412	6.7
351.20459	5.5
376.19980	0.9
393.22644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2265
Annotation	Sarcrassin B
Peak:m/z	Relative Intensity
53.75519	0.3
55.43994	0.3
69.03431	0.4
70.06586	1.7
72.04524	2.1
72.08169	5.2
79.05462	0.4
81.07051	0.8
84.08150	23.6
84.69855	0.4
85.02897	0.5
98.06060	0.4
107.08562	0.8
109.10146	1.0
112.07605	0.6
114.09177	33.7
115.08698	0.7
127.03949	0.4
127.08694	2.2
143.11812	58.8
145.12222	0.6
148.11308	0.5
149.09660	0.6
156.11290	0.6
157.09732	1.7
167.06992	0.4
173.12798	1.6
173.14067	0.9
177.09145	4.8
193.08604	1.7
197.14076	0.6
208.14595	0.5
217.07529	2.0
221.11752	0.7
228.07907	0.8
239.15071	5.4
251.11543	1.8
257.16208	0.6
275.12738	8.7
275.17358	0.8
276.11093	1.9
282.12680	1.7
293.13794	7.2
303.21808	1.7
321.22943	2.0
322.21198	0.5
333.19482	2.1
339.23975	1.8
351.20679	0.5
357.20694	0.6
357.24945	1.7
358.18936	1.6
375.21603	8.3
393.22653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05868	0.5
67.05492	2.5
69.03427	0.6
70.06595	0.7
72.08155	3.0
79.05499	0.6
81.03401	1.2
84.04542	0.7
84.08148	0.8
85.02906	2.5
85.06544	0.5
93.07049	0.6
97.02911	0.7
105.01876	0.7
105.07039	4.2
107.04941	0.8
107.08614	0.5
109.10154	1.3
117.06982	0.7
121.06499	0.7
123.04414	0.7
127.03898	1.2
133.06483	6.8
151.07544	10.6
159.09186	1.1
160.07571	4.0
161.05980	10.4
162.89236	0.6
163.03929	1.3
166.86771	0.5
167.07021	17.2
171.07962	0.8
175.07610	1.0
177.09105	100.0
193.08609	49.6
195.10165	8.1
203.10756	0.7
221.11751	14.5
243.11179	0.7
247.04398	0.6
289.11740	0.7
375.12115	0.9
375.20535	0.6
393.07745	2.0
393.21600	3.8
402.47214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1908
Annotation	Neocynapanogenin B
Peak:m/z	Relative Intensity
55.01886	0.2
55.05506	0.2
58.87802	0.2
65.63901	0.2
79.05507	1.0
85.02911	0.2
86.09692	0.3
91.05499	0.4
93.07057	0.4
105.07047	4.2
107.04952	0.3
107.08600	0.9
115.05478	1.0
117.07028	0.9
119.04968	0.4
121.06500	0.4
123.04484	0.3
123.08064	0.9
127.11205	0.3
133.06500	8.1
135.08038	1.1
143.05994	0.4
143.08583	0.5
145.06465	0.2
149.09605	0.2
151.07549	9.5
160.05154	0.3
161.05969	9.7
162.06636	0.3
163.07581	0.8
165.08710	0.2
167.07039	15.1
168.07401	1.1
171.08078	1.1
175.07588	1.8
177.09113	100.0
178.06264	0.8
181.03229	0.2
181.08609	0.2
193.08614	53.0
195.10170	7.9
203.10715	1.0
208.10988	0.3
209.11317	0.3
221.11732	14.6
276.14523	0.2
321.73056	0.2
329.13800	0.3
375.18353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	2.6
55.01888	3.0
55.05527	2.5
57.03431	1.9
60.68595	1.9
61.02935	3.4
65.31178	1.7
67.05515	100.0
68.99783	1.9
69.03441	20.8
69.07068	2.5
70.06598	4.3
71.05016	2.6
72.08141	10.2
73.02923	4.6
81.03423	11.7
81.07053	8.4
83.05009	2.2
85.02910	69.3
86.09708	20.7
87.00827	33.4
90.35047	1.9
93.07059	2.4
97.02882	24.6
98.07234	2.3
99.04444	7.7
105.01873	64.0
107.08601	3.7
109.02867	17.7
109.10165	90.5
114.10288	2.0
120.08146	4.1
123.04387	4.2
125.09628	4.4
127.03928	50.8
127.11201	15.8
127.36375	1.9
129.01779	2.3
133.06485	2.5
133.71986	2.2
145.04959	12.9
147.04434	2.8
151.07474	2.6
159.02913	4.8
163.03925	14.8
166.71837	1.9
167.07051	9.5
177.09093	11.4
193.08510	3.3
208.37225	2.1
221.09283	2.3
221.11516	2.8
231.04997	16.6
249.06061	4.3
272.85461	1.9
393.20581	9.4
393.53104	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	393.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
55.05506	3.5
57.03434	3.6
61.02927	3.5
63.34904	1.3
67.05515	88.7
67.93307	1.3
69.03432	30.2
69.07059	2.8
70.06593	2.5
71.04999	3.4
71.22435	1.2
72.08151	9.5
73.02901	2.2
79.05498	1.7
81.03436	16.4
81.07046	3.1
83.08616	6.3
84.10066	1.3
85.02910	62.7
85.06557	17.7
86.02515	1.7
87.00835	37.4
97.02896	24.5
98.06012	1.6
99.04481	12.9
99.08082	1.7
105.01874	55.3
107.08611	2.0
109.02869	19.9
109.06474	1.4
109.10161	100.0
114.10271	2.3
115.08646	1.6
127.03918	49.6
127.11201	22.1
129.01846	1.9
145.04967	16.0
147.04234	1.9
159.02893	7.4
160.07520	2.3
163.03917	5.6
167.06964	2.4
175.07516	2.1
177.05484	1.7
177.09151	5.9
178.33235	1.5
181.04874	2.1
191.08249	9.3
193.08607	5.9
216.08768	1.8
223.02209	1.7
231.04979	14.8
247.04288	1.5
249.06108	6.2
266.48715	1.8
321.13333	3.4
358.96585	1.7
390.77881	2.1
393.07901	8.9
393.13037	9.7
393.19485	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	393.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.55173	0.8
55.01873	1.7
55.05512	0.9
57.03431	2.1
57.06425	0.8
61.02919	1.6
61.89764	0.8
66.89590	0.8
67.05511	75.7
69.03432	24.0
69.07084	1.1
69.92166	0.7
71.04982	5.1
73.02917	1.9
81.03413	11.9
81.07059	6.0
83.08623	8.1
85.02909	63.7
85.06549	22.0
87.00834	33.0
88.13646	0.8
91.05444	1.4
93.07033	1.5
95.04979	0.9
97.02293	1.7
97.02885	24.8
99.04446	8.9
105.01872	54.1
107.08572	1.8
109.02888	17.4
109.10159	100.0
115.90387	0.9
117.91449	0.8
127.03921	47.5
127.11204	26.7
129.01897	1.2
137.09610	1.3
145.04971	13.5
145.10086	1.0
159.02892	5.9
171.11667	1.0
173.09526	0.9
175.11024	1.0
177.41896	0.8
189.03923	1.6
191.96303	1.0
199.11331	1.7
213.03986	1.7
217.12210	0.9
231.04990	14.8
235.13353	1.6
249.06078	7.2
295.15555	1.4
321.13226	5.0
339.14508	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	393.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46759	1.1
53.03971	2.1
55.01886	2.9
55.05508	2.6
57.03450	3.3
61.02924	6.2
61.50891	1.3
67.05515	68.4
69.03434	41.2
69.07079	2.1
70.06591	2.2
71.04996	19.4
72.08150	2.2
73.02921	2.4
73.08542	1.3
79.05483	2.2
81.02997	2.5
81.03428	37.3
81.07065	9.1
83.08620	5.9
84.08149	2.0
85.02910	100.0
85.03426	3.5
85.06544	14.7
87.00836	56.1
87.04451	1.3
91.05494	2.6
93.07053	6.7
95.08598	2.5
95.59090	1.4
97.02897	30.3
99.04449	16.8
105.01878	78.7
105.02574	3.0
105.07024	5.3
107.04964	2.9
107.08600	5.2
109.02892	28.2
109.06506	1.8
109.10168	85.9
112.90892	1.4
119.08585	2.2
121.10105	1.7
127.03918	76.1
127.11198	22.5
129.01840	5.5
131.08601	2.0
133.10144	2.8
145.04962	18.6
145.10184	3.3
147.09222	1.9
149.09581	2.3
151.11194	1.8
159.02899	6.3
163.11258	1.7
167.06987	3.3
172.64049	1.5
175.08752	2.3
191.08159	27.4
199.11343	1.8
213.03951	1.9
217.12270	6.3
225.97980	1.6
231.04976	22.5
232.85728	1.5
235.13257	3.3
249.05983	10.3
271.10922	2.2
295.15359	3.0
307.12726	2.6
309.07739	2.1
321.13394	7.1
339.14484	2.8
357.15326	2.0
375.11914	6.5
393.12851	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	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14383	0.4
58.58807	0.4
68.96773	0.5
69.03428	2.0
70.06591	1.0
71.04982	0.5
72.08152	0.5
81.03402	2.6
81.26122	0.5
84.08141	0.6
85.02896	0.6
85.07661	2.9
85.45530	0.5
86.09657	0.5
99.04437	1.1
105.10855	0.6
147.04366	1.8
191.08122	8.5
205.04955	0.5
218.08177	1.1
230.08118	9.1
244.10606	3.5
246.11230	42.1
247.04161	2.6
247.10875	1.7
263.13855	5.0
271.10999	0.6
272.09161	7.8
288.08658	21.0
288.13324	4.1
289.11804	1.0
290.10193	14.0
305.11325	0.9
307.12900	3.4
313.08023	0.6
314.11298	1.1
330.10818	5.9
332.12289	0.9
334.09183	42.8
351.11896	6.8
359.08701	1.1
375.12170	0.7
376.11353	12.4
393.08325	4.4
393.13980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.7
57.03434	1.0
59.85262	0.5
60.05678	0.5
66.23953	0.4
67.05516	2.4
69.03423	0.9
70.06591	6.1
70.85768	0.5
71.04996	0.7
72.08160	8.3
76.97076	0.5
80.05022	0.7
81.03424	1.0
81.07067	0.7
83.01350	0.9
84.04498	3.2
84.08140	3.1
85.02419	0.8
85.02911	22.8
85.06528	1.0
86.09717	7.8
87.00840	1.2
89.10773	0.7
97.02869	0.9
98.06072	3.7
99.04424	0.5
100.23530	0.5
102.05563	1.1
103.03935	1.0
105.01847	0.8
109.02869	0.9
109.10136	3.7
114.10323	0.7
117.05775	0.6
118.06533	2.7
120.08105	5.7
121.02859	0.6
127.03892	2.3
127.07565	2.1
127.11218	1.3
128.07040	0.7
129.10231	2.0
130.05046	6.8
130.06534	6.3
131.03401	13.0
131.04930	0.7
131.84737	0.5
132.04482	5.2
132.08095	20.4
137.05998	5.0
142.06531	2.3
144.08072	0.6
145.02861	1.2
145.08611	1.2
146.09286	0.5
147.04381	0.9
158.05956	1.1
158.08330	0.6
159.09177	100.0
160.07574	97.6
163.03891	1.1
163.07555	2.7
167.06978	0.5
168.08093	0.6
177.05478	7.8
177.08833	0.8
177.10248	14.9
197.10571	0.6
199.03973	0.7
203.03438	0.9
215.11833	2.8
219.03027	0.6
225.07721	0.7
225.10222	17.1
231.02921	0.9
243.11279	19.3
245.04480	1.0
253.09767	1.1
261.12323	1.1
261.16031	0.9
263.05600	0.8
271.10733	5.9
277.15167	0.8
289.11826	31.9
307.12811	6.0
331.12775	2.2
352.10309	0.7
357.10895	3.1
375.11853	69.0
376.43164	0.6
393.07996	3.0
393.12909	18.8
393.17352	4.2
393.20605	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	393.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57703	0.7
53.77460	0.7
62.73805	0.8
65.03943	4.3
66.62877	0.7
67.05516	8.7
69.03434	5.8
70.06591	0.9
71.01349	5.2
71.04990	3.6
79.05490	2.0
81.02993	1.4
81.03428	19.7
84.08141	5.5
85.02916	10.5
85.06538	1.6
87.00837	4.7
92.00671	0.8
92.17844	0.8
93.03390	4.3
95.04977	3.8
97.02891	3.7
99.04465	3.7
105.01892	7.2
105.02497	0.8
107.04955	5.4
109.02867	3.8
109.10166	7.6
110.03651	3.4
111.04430	4.7
114.09176	5.1
119.04993	1.2
121.06445	1.1
123.04406	6.5
124.67604	0.9
125.06003	6.0
126.21560	0.9
127.03898	7.7
133.02884	1.9
135.04439	5.6
137.05971	1.9
141.05508	1.7
143.11798	4.1
145.04951	1.8
146.03630	3.9
147.04352	5.8
149.05991	5.5
150.06766	6.5
151.03912	100.0
153.05463	7.5
155.07010	1.0
161.05988	1.9
163.03909	4.2
165.05423	3.3
166.06279	1.2
167.07042	5.0
169.04968	3.3
173.07161	1.1
175.08722	1.6
177.05505	4.6
178.06247	39.8
179.07141	1.2
181.04974	1.4
184.03702	1.1
191.08156	23.6
195.06551	14.7
196.07307	20.2
197.04459	27.1
197.12175	0.9
199.05998	1.6
231.05052	1.2
241.07060	8.1
258.58850	0.9
271.10989	1.7
289.11990	0.9
307.12964	3.2
325.13580	1.0
330.17813	0.8
333.19632	1.0
375.11621	6.2
393.12384	20.7
393.22729	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	393.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18721	1.7
53.71307	1.7
55.06286	1.6
57.35643	1.5
81.03395	2.1
84.00381	1.8
84.08144	3.7
85.02892	2.8
88.98862	1.7
91.05464	4.4
95.04947	7.7
97.02829	2.4
97.06541	1.6
105.03407	1.9
107.04922	6.1
109.02821	2.1
109.06530	9.5
114.09170	10.8
114.87899	1.9
119.04919	4.2
121.06537	16.0
123.04416	9.3
127.03923	3.3
133.02867	3.3
133.06506	4.0
137.05986	22.2
139.13397	1.7
143.11839	12.9
147.04414	3.9
149.06006	41.0
151.03918	4.2
153.05452	9.0
154.06256	3.0
155.06995	14.3
157.09785	1.9
160.07520	4.3
163.03938	2.3
165.05473	36.4
166.06282	8.5
167.07047	8.6
171.06532	4.0
176.04709	2.8
177.05412	9.3
180.07816	26.9
181.04951	100.0
193.05002	16.0
196.07324	8.9
197.08170	15.3
207.06514	6.5
208.07306	47.4
211.06026	4.2
225.07555	28.4
226.08366	32.9
353.91840	2.0
375.11035	9.2
393.07159	2.0
393.11697	39.0
393.22690	36.8
411.43076	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73678	0.5
65.03947	3.1
71.01353	6.0
79.05495	3.6
80.43118	0.7
92.18394	0.8
93.03404	3.6
95.04964	3.4
107.04942	6.3
108.02097	1.2
109.02866	1.0
110.03658	1.2
111.04432	3.8
114.09174	0.9
121.06472	0.8
123.04412	4.9
125.05997	5.3
125.06805	0.6
133.02858	2.6
135.04428	6.8
135.08041	0.7
137.02319	1.1
137.05974	3.0
140.04721	0.6
141.05492	1.4
146.03622	3.7
147.04437	4.3
147.61101	0.7
149.05960	4.6
150.06767	6.4
151.03905	100.0
151.04933	4.0
152.04773	0.8
153.05469	9.5
154.02629	2.8
161.05983	1.5
163.03891	3.8
165.05492	4.0
166.06351	0.9
167.07027	5.0
169.04921	4.3
177.05444	7.5
178.06241	39.7
181.04965	2.9
193.04953	0.7
195.06531	17.6
196.07285	17.2
197.04446	27.7
198.05190	1.0
199.05994	0.9
241.07120	7.0
243.35143	0.6
262.59195	0.6
343.08185	0.7
363.10699	1.3
366.39481	0.6
375.10825	1.1
391.60245	0.8
393.11758	15.7
393.19653	0.8
393.24844	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	393.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18118	0.5
53.00304	0.4
53.03952	0.8
55.05518	0.6
57.03432	0.7
58.53699	0.6
65.03942	2.3
67.05510	5.5
67.75249	0.5
68.99796	0.7
69.03437	6.1
70.06596	2.2
71.01360	5.1
71.04979	0.9
72.04506	0.7
72.08172	5.3
73.88425	0.6
79.05477	2.5
79.54076	0.5
81.02955	0.9
81.03426	25.2
81.07057	0.8
81.49548	0.5
84.08155	10.7
85.02917	6.3
87.00813	3.3
91.05453	0.6
93.03393	2.7
95.04951	4.1
97.02869	0.7
99.04457	5.9
99.09451	0.5
105.01878	4.6
105.07026	1.1
107.04956	4.9
109.02901	2.8
109.10165	7.0
110.03648	1.2
111.04446	6.1
114.09174	14.0
114.10016	0.7
114.10294	0.8
117.03348	0.7
118.04173	0.9
118.06432	0.5
119.04932	0.8
121.06496	1.3
123.04418	5.5
125.06036	5.0
127.03892	3.3
127.08652	1.0
129.01779	0.7
133.02863	2.8
135.04413	8.8
136.01611	0.9
137.02324	1.2
137.05975	4.0
139.07469	0.7
140.04765	0.6
141.05518	2.4
143.11800	13.5
145.04976	0.7
146.03625	2.8
147.04404	4.5
147.09164	1.3
149.05992	4.0
150.06808	4.2
151.03908	100.0
153.05447	7.3
154.02643	2.8
157.09705	0.6
161.06001	2.1
163.03899	3.5
165.05466	3.5
166.06316	0.6
167.07100	5.0
169.04961	2.8
175.08661	3.2
177.05441	5.9
178.06253	37.2
181.05008	1.3
183.06424	0.7
191.08151	35.5
195.06544	11.3
196.07335	17.4
197.04472	22.2
199.05913	0.8
208.03683	1.1
215.11771	0.6
231.04883	0.7
241.07074	7.1
249.06201	0.8
252.81989	0.6
271.10712	2.3
273.49100	0.6
288.10489	0.5
289.11874	1.3
307.12881	4.9
321.13721	0.7
331.12534	1.2
333.19357	2.5
343.08011	2.0
351.20370	3.2
359.12155	0.6
363.10593	1.0
375.11588	5.1
376.20178	0.7
393.12436	30.5
393.22659	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	392.259
Annotation	17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
51.15101	0.3
53.00887	0.3
65.19621	0.3
70.06584	1.8
71.06905	0.4
72.04505	0.6
72.08157	3.2
84.04516	0.5
84.05633	0.9
84.08149	7.9
85.02899	1.4
85.08488	1.9
88.02253	0.4
93.07015	0.3
95.16543	0.4
95.50916	0.4
108.57063	0.4
113.10799	0.4
114.09167	12.0
115.08739	1.1
115.09473	5.1
116.05305	0.7
120.08092	2.0
127.03939	0.5
128.07103	0.4
130.05032	0.6
131.11763	0.8
137.09631	0.5
143.03380	0.9
143.11801	12.4
144.03761	0.7
144.12149	8.0
144.70779	0.3
150.09082	0.6
163.59042	0.4
166.08682	0.6
167.07025	0.6
173.12849	0.5
193.13501	0.4
194.03230	0.4
194.13731	1.4
195.06520	0.5
198.14304	0.8
204.10239	0.7
205.10547	1.6
222.13239	1.9
223.14388	0.4
224.14783	0.6
236.16667	0.4
237.16649	1.3
241.15482	0.5
242.15828	0.6
256.12897	0.4
262.13998	0.5
272.20578	0.4
291.08887	0.4
296.06284	0.4
332.22504	3.4
349.23416	0.6
350.23618	10.2
374.24258	1.5
375.23260	0.7
392.25784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55228	1.2
57.07084	92.0
69.86971	1.1
87.08765	1.1
92.18451	1.2
102.09190	4.6
123.05562	1.4
140.03654	1.3
149.02327	2.0
192.58374	1.6
207.11285	32.5
220.17059	2.5
220.83395	1.3
224.13969	22.6
234.12421	1.7
252.56778	1.4
290.18481	2.1
308.19693	38.5
330.65891	1.4
374.24374	38.1
392.18326	4.2
392.25436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25648	0.6
55.05518	0.6
56.04811	0.8
56.05043	11.4
60.04538	0.8
60.68346	0.6
70.06595	10.2
72.08167	7.7
80.05001	1.0
81.07073	5.3
82.02944	1.2
82.06576	0.9
84.08141	10.9
91.05492	7.3
96.08139	1.5
97.07634	0.8
98.06048	5.1
99.05566	1.5
106.06530	1.6
108.08102	7.3
112.07538	0.7
115.08721	0.7
116.07119	5.0
117.06583	1.3
118.06570	0.8
123.02280	0.7
126.09158	22.0
131.04930	4.8
131.08533	0.7
132.08096	0.9
142.05025	1.2
144.08026	1.1
146.09578	1.2
148.07570	1.0
151.20685	0.7
153.10251	1.0
158.08125	12.2
158.09627	3.1
159.07695	1.1
160.11211	75.2
167.11778	7.7
168.10190	9.3
185.12840	3.0
197.19876	0.7
213.12354	1.5
215.32323	0.9
227.13921	4.4
231.14995	0.8
273.16019	5.5
290.44705	0.7
332.19684	4.1
392.21780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72388	0.3
55.05516	0.3
60.05643	0.4
61.91813	0.3
70.06594	0.7
72.08163	20.5
73.04030	0.4
84.08134	0.5
89.10799	0.8
97.07653	4.4
98.06038	0.6
114.10290	49.6
115.08691	5.0
126.03726	0.6
131.12946	0.7
144.04857	0.4
146.05997	0.8
159.06892	0.3
163.03824	1.6
176.07063	77.4
190.08618	2.2
217.09785	2.9
218.05994	0.8
218.08118	25.1
218.66513	0.4
259.72638	0.4
273.14844	0.4
273.85220	0.4
288.17059	9.6
289.15451	25.8
306.18353	0.4
331.17661	12.7
348.20297	100.0
392.08475	0.7
392.18686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.96574	0.4
57.10502	0.4
62.85036	0.5
67.05515	0.6
69.03468	1.7
70.06593	9.3
72.08150	2.2
79.05523	0.5
84.04498	0.9
84.08148	2.2
85.02922	6.6
86.09702	1.1
93.07061	0.6
95.04906	0.9
97.02887	2.2
98.06054	0.7
102.05518	0.7
103.05440	0.6
105.07046	0.9
107.04967	20.3
107.08601	3.6
112.07627	2.5
116.07092	3.9
117.07052	0.7
119.08624	0.6
120.08088	3.9
121.06475	0.6
121.10132	0.8
124.05232	0.9
124.07594	0.7
125.09646	0.6
127.03908	2.2
129.10249	0.7
131.04973	0.7
131.08533	0.7
135.08052	11.1
144.02113	1.0
145.05009	0.8
147.08018	0.7
149.05933	0.6
149.09668	2.7
154.06244	0.8
163.07538	37.7
167.07037	80.2
177.09052	4.3
180.08708	2.6
195.08359	1.2
195.10176	37.7
213.11221	100.0
255.16225	0.5
277.11926	1.0
280.46426	0.5
328.32748	0.5
348.19916	0.8
350.04944	0.5
392.18567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.96574	0.4
57.10502	0.4
62.85036	0.5
67.05515	0.6
69.03468	1.7
70.06593	9.3
72.08150	2.2
79.05523	0.5
84.04498	0.9
84.08148	2.2
85.02922	6.6
86.09702	1.1
93.07061	0.6
95.04906	0.9
97.02887	2.2
98.06054	0.7
102.05518	0.7
103.05440	0.6
105.07046	0.9
107.04967	20.3
107.08601	3.6
112.07627	2.5
116.07092	3.9
117.07052	0.7
119.08624	0.6
120.08088	3.9
121.06475	0.6
121.10132	0.8
124.05232	0.9
124.07594	0.7
125.09646	0.6
127.03908	2.2
129.10249	0.7
131.04973	0.7
131.08533	0.7
135.08052	11.1
144.02113	1.0
145.05009	0.8
147.08018	0.7
149.05933	0.6
149.09668	2.7
154.06244	0.8
163.07538	37.7
167.07037	80.2
177.09052	4.3
180.08708	2.6
195.08359	1.2
195.10176	37.7
213.11221	100.0
255.16225	0.5
277.11926	1.0
280.46426	0.5
328.32748	0.5
348.19916	0.8
350.04944	0.5
392.18567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91319	1.8
55.01871	2.7
56.22358	1.8
57.03447	2.7
61.02910	1.9
67.05510	100.0
67.70995	1.6
69.03436	25.6
71.04977	2.1
73.02908	4.8
75.48647	1.7
81.03431	14.2
81.07050	12.8
85.02419	3.7
85.02908	85.3
85.03421	3.3
85.70452	1.7
87.00825	39.0
87.08632	2.0
97.02893	27.4
99.04456	13.9
99.58189	1.8
105.01870	54.7
107.08556	2.9
109.02901	28.4
109.10159	87.6
118.10771	1.8
127.03041	3.3
127.03914	57.9
127.04755	2.1
128.24998	1.7
129.01834	2.4
130.50563	1.9
131.38463	1.8
145.04968	29.6
147.02859	2.7
159.02866	16.8
159.22079	2.1
166.51645	1.8
207.16797	2.0
213.03972	3.1
231.04979	32.8
248.07640	2.8
249.06059	17.4
269.49695	2.4
329.35211	2.0
339.14502	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	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30175	0.6
53.03955	0.7
55.01867	3.3
55.05517	1.5
57.03433	2.7
60.13256	0.6
60.96584	0.7
61.02924	1.7
65.03954	0.9
67.05510	100.0
68.21382	0.7
69.03432	13.4
69.07035	0.7
71.04982	1.3
73.02918	3.4
74.08797	0.6
74.12037	0.7
79.05488	1.2
81.03420	8.8
81.07053	13.1
85.02908	54.0
87.00828	20.7
91.03963	0.9
97.02897	21.7
98.41502	0.7
99.04457	6.2
105.01869	37.7
105.07045	0.9
107.08582	3.5
108.04501	1.5
109.02884	12.3
109.10158	71.0
109.21234	0.7
111.94297	0.7
114.09177	4.3
119.80733	0.7
126.05512	0.9
127.03912	39.9
129.01826	1.1
138.75676	0.7
145.04962	16.2
147.02911	1.4
152.79204	0.7
159.02928	6.0
172.63017	0.8
203.14433	0.9
231.04990	19.3
248.07588	1.0
249.06067	12.2
321.13239	1.4
339.14221	2.8
377.13348	0.7
392.19058	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	392.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62738	0.6
51.75253	0.6
51.83621	0.6
57.03443	1.4
61.98061	0.6
67.05503	1.5
79.05503	1.1
81.07067	2.3
85.05292	1.1
93.07059	1.5
95.08591	1.3
98.06048	4.1
98.98473	29.9
112.07623	1.1
123.11672	0.7
124.06567	0.8
124.07509	0.7
131.08571	0.7
149.02328	0.9
155.01021	12.4
159.11693	0.9
176.14355	1.0
182.70723	0.7
217.86755	0.7
220.16910	5.2
238.18018	100.0
256.26324	2.8
276.19382	1.4
294.20667	4.8
312.21701	17.1
351.18307	0.9
374.17383	5.1
392.18329	89.0
392.33682	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32797	3.5
55.05510	4.9
65.93956	4.2
67.05514	5.3
69.07063	7.6
76.53838	4.6
81.07066	24.7
81.43608	5.3
91.05478	5.5
93.07032	22.4
93.73197	4.3
95.04966	24.4
95.08588	9.3
98.98463	6.8
105.07018	20.7
106.17862	4.4
107.08582	10.0
109.10195	6.2
119.08550	20.9
121.10184	10.7
131.08589	18.6
133.10179	5.8
143.08525	11.2
145.10129	26.0
149.02341	48.4
155.01025	10.0
157.10187	17.5
159.11649	8.8
169.10069	7.5
171.11644	8.3
173.13222	6.8
193.10135	5.0
206.51076	4.9
207.11658	5.6
209.13287	7.6
222.03627	4.8
237.22160	5.7
249.16391	5.7
269.18994	4.9
297.18558	6.4
368.18234	6.1
373.25217	8.1
391.26221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06592	2.3
72.04509	1.7
72.08163	4.0
76.56369	0.4
79.05495	0.5
84.08150	15.0
86.09702	0.8
89.41710	0.4
96.47995	0.5
101.76099	0.4
112.07599	0.9
113.10786	0.5
114.09174	23.6
115.08700	1.6
119.08548	0.5
125.10715	0.5
127.08674	2.9
131.11812	0.6
131.37021	0.4
133.17065	0.4
135.08020	0.5
143.03395	2.1
143.11807	40.4
156.11325	0.6
157.09718	2.2
173.12810	2.2
173.14090	0.8
181.09949	0.5
193.13461	0.7
218.05249	0.4
233.14851	0.7
237.55060	0.4
239.14915	3.3
244.10907	0.8
246.28320	0.4
257.16107	6.4
258.14435	1.7
259.17953	0.4
275.17242	4.4
280.15408	0.7
295.20334	0.4
313.21454	0.9
331.22348	3.8
336.55209	0.4
338.80521	0.4
349.23425	0.6
355.23438	0.7
356.21863	0.4
373.24435	7.6
379.15567	0.5
382.68079	0.4
391.25510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44987	0.3
64.91573	0.3
65.32132	0.3
70.06579	0.8
72.04517	0.5
72.08141	2.3
82.67172	0.3
84.07668	0.6
84.08144	10.1
84.78291	0.4
85.13851	0.4
92.90726	0.3
95.08695	0.5
110.06077	0.5
112.07603	0.4
114.09169	15.0
115.08655	0.5
120.41390	0.5
127.08648	0.6
143.11800	24.5
157.09753	1.7
164.10710	0.7
181.13309	0.6
193.13419	3.3
197.14165	0.7
223.14438	3.1
223.16327	0.4
241.15462	1.4
259.16653	1.6
317.74551	0.3
331.22235	1.5
332.21884	0.4
349.23352	12.5
373.24432	0.7
391.25519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63536	0.8
63.00360	0.9
66.71043	0.9
79.08673	0.9
119.86807	0.9
149.02338	8.3
162.29068	0.9
162.30466	1.0
183.64886	1.2
319.12631	1.0
391.24536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84286	0.4
69.03432	0.5
70.06588	1.9
72.04504	0.7
72.08163	4.2
84.08150	10.0
85.02874	0.5
86.09697	2.3
95.05006	0.6
113.10772	0.6
114.09178	20.1
115.08707	0.9
128.62715	0.5
131.11815	1.9
143.11812	22.1
149.02301	0.8
150.09111	2.0
157.09665	0.7
157.13402	0.6
165.09167	0.6
173.12766	0.6
173.14061	0.7
193.13393	2.1
197.13998	2.6
221.12892	0.5
223.14423	1.1
236.16420	3.5
241.15477	2.0
253.19196	2.1
254.17487	1.9
255.56833	0.5
257.16104	1.0
258.14517	0.6
275.17111	1.2
313.21390	1.0
329.51559	0.5
331.22250	3.2
332.21848	5.3
349.23291	9.7
373.24472	2.5
391.25513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
57.80757	0.3
60.05662	0.6
64.47157	0.3
69.07072	0.8
70.06579	1.6
72.08161	18.0
73.04048	0.5
73.06440	0.6
76.91895	0.3
82.14740	0.3
97.06546	3.2
97.07661	3.5
98.06046	0.9
98.06847	0.4
100.08738	1.5
113.08414	0.5
114.10295	25.2
115.08702	8.4
123.04444	4.1
131.12978	0.7
137.06003	0.6
137.47725	0.4
146.70488	0.5
147.20601	0.4
149.02310	0.9
157.10902	0.6
163.03902	2.2
165.05472	2.3
167.07047	1.7
172.13181	0.7
201.09106	18.1
202.82347	0.4
219.10120	3.9
234.11247	0.6
234.13506	0.4
235.11974	1.9
235.14297	0.8
236.12790	1.4
242.11705	0.7
243.10129	6.9
252.14737	1.7
260.10068	0.4
265.16516	0.7
293.16113	2.0
294.16910	2.9
313.19092	12.0
313.22690	0.5
314.17520	22.1
331.20111	1.6
332.18567	4.7
356.19702	11.9
374.20496	0.5
391.23392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26263	0.3
60.05640	0.5
63.72211	0.4
69.56273	0.3
70.06584	0.8
72.08160	19.4
75.99780	0.3
97.06538	8.0
97.07646	3.3
98.06056	2.0
114.10291	26.4
115.08701	6.7
123.04452	5.3
149.02293	0.4
153.15625	0.4
157.10822	0.6
163.03868	0.8
165.05463	1.8
201.09119	11.6
217.08630	0.9
219.10187	4.5
234.11176	0.6
243.10208	4.5
261.11197	7.9
265.16550	0.6
285.88687	0.4
288.15933	0.5
293.16028	2.0
294.16974	0.8
313.19055	7.9
314.17493	16.7
331.20273	5.3
332.18585	9.7
339.16974	0.5
349.21164	0.5
353.93842	0.4
356.19699	7.9
374.20749	2.1
375.16748	0.4
391.23373	100.0
394.43420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
57.07080	0.6
57.53938	0.5
60.05661	1.2
63.71922	0.4
69.69100	0.5
72.08178	3.9
74.34631	0.5
97.07648	0.8
97.08733	0.5
98.06084	0.9
103.05457	0.6
114.10302	14.5
115.08688	2.0
131.04939	2.4
131.12932	7.4
143.04851	0.9
149.02354	1.0
149.05989	67.3
151.37321	0.6
156.47939	0.5
157.10832	2.2
158.05986	0.5
159.04431	0.8
161.05975	1.1
163.03882	1.0
163.07527	9.8
173.05992	3.5
177.05479	6.7
185.41597	0.5
187.03905	2.0
191.07027	2.3
191.10634	0.9
197.09767	1.2
197.19029	0.6
199.11180	1.1
200.04729	4.3
201.05466	2.5
205.12268	10.7
209.59210	0.5
215.10667	3.0
219.10229	0.7
223.74989	0.5
225.09100	3.7
233.11748	10.5
243.10158	23.3
261.11218	6.8
309.51819	0.5
313.19016	0.7
314.17242	0.9
331.20166	0.9
332.18680	0.8
347.34308	0.6
356.19839	0.6
391.23410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82003	0.9
55.05510	1.7
62.06107	7.9
62.95700	1.0
69.07066	1.8
70.06584	1.9
72.08156	11.5
73.74948	1.0
76.08067	1.1
81.07063	2.0
84.04510	4.6
85.02907	1.3
91.05440	1.4
93.07024	2.7
95.04948	1.7
97.06532	1.4
99.08074	1.5
104.18488	1.0
105.07069	2.3
108.56638	1.1
114.10297	7.3
115.08720	1.4
117.07025	1.9
119.08587	4.9
123.04483	1.2
123.08095	1.3
125.09683	1.2
127.08659	1.3
128.07080	20.5
131.04933	5.8
131.08578	41.0
137.06000	1.3
144.09352	1.8
145.06488	2.7
145.10126	10.8
149.02367	7.9
149.05998	2.1
150.09006	1.1
158.10936	4.0
159.08067	2.3
159.11697	100.0
161.06097	1.4
163.03903	6.3
167.07014	1.7
171.11676	6.7
173.09282	13.2
173.13266	55.5
174.07581	4.5
183.89262	1.1
186.10411	4.6
191.10208	10.2
201.12741	85.4
217.08304	6.0
219.10237	1.7
243.10318	1.3
255.22891	1.2
261.11203	4.0
303.11542	1.9
332.18719	1.9
373.21219	5.4
374.20483	1.3
391.10019	2.7
391.22903	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	8.5
57.03435	0.6
58.06607	5.8
60.04529	1.0
61.74741	0.5
66.61479	0.6
69.03435	0.8
70.06594	1.2
71.08639	0.6
72.08155	2.3
74.06084	53.8
84.04507	9.9
84.08130	2.2
86.09710	47.6
87.05553	0.7
88.03981	0.8
88.11261	2.3
98.09680	1.1
101.07147	28.3
102.05536	2.6
125.09591	0.5
126.12753	0.9
130.05025	0.7
132.10210	1.1
142.12276	9.2
143.07051	0.6
143.11795	9.5
145.06104	0.9
149.02342	3.2
152.10754	1.4
159.07666	10.6
169.06085	1.1
169.13345	2.7
177.08705	44.6
187.07219	4.6
187.14420	100.0
189.12311	1.0
215.13924	32.6
244.09308	0.7
260.08713	0.7
272.16077	3.0
288.11844	0.7
288.19223	0.6
297.98975	0.6
316.18744	8.3
373.20831	24.4
391.09283	4.5
391.21967	8.1
407.90305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80083	0.3
53.77016	0.4
55.05521	0.8
60.04530	0.5
63.15427	0.3
70.06610	2.8
71.06944	0.4
72.08161	16.5
76.11161	0.3
83.04979	0.5
84.04534	0.8
84.88952	0.4
87.04489	0.6
97.07657	0.5
98.06062	2.0
100.05124	1.6
103.05482	6.5
108.04436	0.4
114.10301	3.9
115.08703	1.7
120.06605	0.5
128.07071	0.7
130.06613	0.4
131.04936	100.0
140.08255	0.4
145.10132	0.4
149.02283	0.7
149.09579	0.5
152.08237	0.7
154.06137	0.8
154.09769	22.3
159.11696	2.6
163.03914	1.6
167.07086	0.6
171.12411	13.1
173.13306	0.8
190.08243	1.9
190.09767	0.5
197.10342	2.2
201.12486	1.2
201.14088	0.8
202.12277	12.5
207.12393	1.9
208.10815	4.1
225.13411	2.3
227.10312	0.6
244.12718	5.7
245.19710	0.4
261.15442	3.5
287.13800	0.4
301.16635	7.7
337.16446	1.8
355.17786	3.7
373.18802	0.6
374.68063	0.5
375.18353	2.5
388.98987	0.5
391.19711	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06606	0.5
72.08161	11.1
82.06927	0.4
98.06052	0.7
100.05103	2.7
103.05484	6.6
114.10300	3.8
115.08696	0.8
120.06571	0.5
122.84495	0.4
131.04938	100.0
141.23976	0.4
152.08231	0.5
154.06137	0.6
154.08522	0.5
154.09763	14.7
156.79773	0.4
160.34357	0.4
171.12390	6.4
190.08231	2.5
190.09818	0.8
197.10368	1.0
201.13759	0.7
202.12274	20.5
207.12447	1.0
208.10805	4.7
225.13550	1.9
226.11803	0.8
240.59410	0.5
244.12807	4.6
250.07365	0.6
261.15466	2.0
301.16608	6.2
304.00754	0.5
318.76920	0.4
355.17514	5.7
373.18542	0.9
375.18555	0.6
391.19705	82.2
405.06555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1758
Annotation	4-[(2s,3r,4r)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dimethoxyphenol
Peak:m/z	Relative Intensity
54.57204	1.5
60.30985	1.4
67.05515	2.0
69.84322	1.5
73.69398	1.4
74.67416	1.7
81.37939	1.7
83.04999	2.0
85.02936	1.8
91.05478	8.0
93.07047	8.0
95.04969	1.9
99.04416	2.1
105.07032	7.8
107.04964	20.4
107.08632	1.7
109.10160	2.1
111.04453	2.3
114.10265	2.7
117.06960	1.8
121.06490	15.9
123.04413	2.5
123.08109	1.7
125.09657	2.4
127.03924	2.1
128.06250	1.8
129.07010	11.6
131.04918	3.8
131.08595	11.5
133.06523	2.5
135.08043	6.4
137.05063	1.7
137.05977	15.7
138.03371	1.5
145.06444	3.9
147.08145	2.0
148.05241	2.9
149.02356	2.8
149.05995	8.3
149.09535	1.8
151.07587	18.0
151.58653	1.6
153.05475	11.2
157.06528	14.7
159.08026	2.7
159.11682	6.0
161.05971	24.6
161.09634	9.8
163.07617	19.4
165.09126	9.8
166.06279	8.6
167.07051	82.0
167.08372	2.8
168.07359	1.8
173.13170	2.8
174.06789	8.6
175.07527	14.8
177.09142	8.5
179.07045	2.9
181.08601	76.7
189.09120	61.4
191.07040	3.6
193.06554	2.1
193.08482	3.7
195.08025	3.6
197.09657	7.8
201.12715	1.7
207.08339	2.6
207.10085	12.9
208.08824	2.5
209.08012	2.4
219.10176	2.8
223.07529	6.6
223.11163	3.4
225.09148	16.0
236.15009	3.8
237.15329	5.6
239.10669	2.5
240.07832	2.2
242.09445	2.1
251.06973	3.4
251.10605	3.2
253.08597	9.1
255.10313	2.7
257.11755	16.2
266.08966	2.0
267.10092	2.3
269.11569	1.6
279.10156	2.3
282.08551	2.0
283.09692	11.9
283.13306	9.4
284.10052	2.3
285.11194	23.8
297.11090	3.6
299.09106	1.9
302.11481	5.6
305.14035	2.0
311.13062	5.3
315.12341	10.3
317.13809	28.6
327.12390	2.1
329.13907	7.2
331.15414	3.5
341.13678	3.5
342.14160	6.2
343.15375	42.3
358.13849	3.8
361.16431	100.0
373.16037	31.4
373.23938	2.0
391.24109	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	391.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90730	0.6
57.52929	0.6
59.25816	0.6
65.90595	0.7
73.02934	1.2
73.48959	0.7
85.02933	3.2
97.02935	0.7
101.00904	0.9
110.93723	0.7
112.63813	0.7
133.03487	0.9
139.04262	1.3
143.01953	3.7
148.04729	1.4
149.02393	1.1
161.03011	2.7
165.04019	0.7
172.59608	0.7
173.02879	0.8
175.04459	0.8
183.05144	4.6
184.13210	0.7
185.03056	2.8
187.04640	1.1
201.06165	1.0
203.04028	1.7
209.03027	1.6
211.04535	1.0
220.06824	5.9
227.04010	18.6
229.05592	1.3
232.88898	0.8
239.04132	0.8
239.70940	0.7
245.05212	4.3
247.06767	1.0
253.02040	4.2
271.03091	6.0
271.06488	1.2
290.12744	0.8
310.09741	1.0
331.05283	3.6
358.25186	0.8
373.06229	6.4
390.49417	0.7
391.10205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.5
70.06564	3.0
73.56528	1.8
86.09637	1.7
88.07635	15.6
93.54211	1.5
96.91962	1.5
102.09175	10.6
104.05774	2.0
132.10208	3.6
146.11795	7.5
199.34554	1.7
208.63358	2.0
236.78984	1.8
284.29495	48.3
293.88150	2.0
328.32043	30.3
370.35553	2.2
372.34723	3.1
390.35788	100.0
390.40631	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11642	0.7
56.74687	0.7
57.07072	1.0
70.06600	9.7
71.08621	0.8
72.08126	0.8
85.40168	0.8
85.62488	0.8
88.07634	4.9
102.09160	1.5
132.10194	10.1
146.11758	11.9
210.40099	0.7
240.26862	4.3
251.48962	0.9
266.28461	1.2
274.17590	0.7
284.29495	9.5
328.32101	65.5
390.35773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48170	2.3
57.62876	2.3
70.06591	12.3
76.13094	2.9
83.62091	2.7
109.82018	2.7
132.10211	12.5
145.00682	3.3
146.11787	12.4
151.20386	2.9
163.16652	2.6
192.92465	3.4
204.54819	3.0
321.88297	2.8
328.32129	92.9
366.17441	2.9
390.35822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2504
Annotation	Bacithrocin A 2
Peak:m/z	Relative Intensity
55.99071	0.4
56.31580	0.4
56.88398	0.4
71.74677	0.4
72.08160	15.8
73.03078	0.4
83.13837	0.4
97.07663	4.0
106.99847	0.5
114.10295	46.9
114.39948	0.4
115.08694	4.1
124.79647	0.4
131.12875	0.7
133.08054	0.4
160.22786	0.5
218.11769	79.9
232.13329	2.2
259.14465	2.3
260.12823	26.2
328.83649	0.4
330.21799	8.3
331.20175	22.5
348.22803	0.8
367.26389	0.5
373.22342	9.9
374.78845	0.5
390.25012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01273	0.5
52.53612	0.5
55.01306	0.5
58.06600	1.2
59.62634	0.6
70.06600	1.2
71.85719	0.5
72.04504	1.0
72.08161	2.5
79.76270	0.5
84.08138	2.9
85.02880	0.8
86.09708	9.6
100.07626	67.3
100.11256	6.6
112.11265	4.3
114.09179	0.6
122.02800	0.6
126.12794	1.1
129.10234	9.3
135.04445	2.4
143.11806	40.3
145.02861	3.9
149.64449	0.6
153.59474	0.6
154.12292	2.4
157.10173	0.7
157.13380	1.1
159.11673	2.5
162.49840	0.6
163.03902	55.0
169.17026	3.9
171.14934	0.9
185.16559	2.9
187.14835	1.4
201.12334	0.9
210.19646	17.2
220.09689	32.9
228.20715	20.6
233.15440	4.3
291.17236	0.9
319.16455	8.7
390.23874	100.0
390.65677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23973	0.7
56.96551	1.1
60.08163	4.9
62.63247	0.7
70.06602	6.5
72.08157	7.8
78.86362	0.8
84.04504	2.0
84.08146	1.8
86.09689	1.5
88.13219	0.9
90.37984	0.8
95.06099	14.8
98.97566	1.0
105.07035	11.8
107.06065	1.0
114.10291	1.4
116.33356	0.9
119.04901	1.2
133.06496	24.9
139.05040	1.4
143.06067	1.5
143.07240	0.8
147.04411	12.9
154.13385	3.1
161.05975	100.0
163.03914	1.3
167.07036	1.7
173.01248	1.1
177.05482	2.0
193.08582	27.5
198.12399	5.9
209.08240	1.0
346.21249	49.3
383.90454	0.9
390.20068	12.6
390.70108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66254	7.6
56.96580	11.3
74.67290	11.0
92.17695	9.1
116.07103	92.5
117.07413	15.9
127.34287	9.8
137.57178	11.9
251.09532	14.7
267.09018	42.6
269.10632	36.2
285.10165	14.4
291.12518	12.5
338.83725	11.9
349.16928	79.0
367.17761	100.0
372.35370	10.6
380.84167	9.9
390.23331	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53131	2.8
64.64512	3.3
67.08502	2.9
77.08435	2.7
170.99332	3.7
174.98953	5.1
185.01132	4.8
189.00557	6.9
199.02708	6.5
203.02065	11.0
225.04131	5.7
288.50381	3.6
321.09918	5.4
349.13074	100.0
349.17010	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	389.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93805	0.6
60.05650	1.5
65.25817	0.7
67.05492	0.7
69.07060	3.3
69.22651	0.7
72.08149	4.3
79.05501	1.2
79.38823	0.6
92.18481	0.9
97.06536	42.0
108.12767	0.7
114.10291	13.8
115.08655	1.0
119.08543	0.7
121.10094	0.7
131.12936	5.3
137.05978	1.5
147.04408	0.8
157.10901	1.1
159.04396	1.1
160.07581	33.2
161.02339	2.8
161.08400	1.5
163.03889	23.5
167.07051	1.5
170.09641	3.0
173.02361	6.0
175.03868	0.8
185.06021	0.8
186.09143	100.0
187.09927	38.6
209.92607	0.8
215.07047	35.8
215.09050	1.4
217.13327	5.4
218.14137	34.5
259.09668	59.2
329.18274	2.0
330.16971	3.9
372.19064	2.4
389.14035	2.5
389.21838	62.5
389.24487	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2397
Annotation	Lys Ile Glu
Peak:m/z	Relative Intensity
63.72725	0.5
70.06597	5.8
72.04510	0.6
72.08157	8.7
75.42983	0.4
82.06567	2.1
84.05627	1.0
84.08143	11.7
86.09688	0.6
87.07967	0.7
98.05995	0.5
112.07606	2.9
113.55710	0.5
114.08384	0.8
114.09168	23.8
115.08669	1.0
127.08659	0.7
131.11836	0.9
136.11206	4.3
143.11812	18.7
154.12256	2.4
156.11331	0.8
157.09721	0.8
157.12032	0.8
163.03894	0.8
173.13959	1.2
184.14465	2.6
195.14987	4.3
197.14044	3.8
216.42821	0.5
239.18649	9.9
257.19760	0.6
273.19287	0.7
327.24222	0.6
329.20721	0.8
347.21738	7.9
354.20325	0.6
371.22775	2.2
372.21295	1.9
389.23923	100.0
391.49927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32647	0.6
55.01907	0.7
55.05511	3.8
56.05056	5.6
56.67415	0.6
58.06589	3.2
60.25657	0.8
62.06103	3.3
62.75105	0.7
69.03442	0.8
70.06589	4.2
71.03439	0.6
72.08165	100.0
72.17208	0.6
73.29332	0.7
74.06090	70.2
79.05522	1.0
84.04519	8.1
84.08156	5.4
85.02926	2.8
86.09217	1.5
86.09720	39.1
89.82253	0.7
101.07133	3.6
109.02882	0.9
109.10210	0.8
118.08669	18.4
123.08092	0.8
127.12401	1.0
128.07071	1.2
128.10744	1.4
128.96251	0.7
129.10245	11.0
130.05025	5.2
143.11813	59.1
155.11838	4.7
157.09674	1.1
157.13367	9.0
163.03915	13.7
167.07037	1.7
171.11282	20.7
173.04427	0.8
173.09145	1.0
173.12866	23.3
180.35699	0.7
183.11324	6.1
185.12865	7.2
187.14519	1.1
189.12389	1.5
201.12372	11.6
205.11873	8.7
215.13928	1.2
219.13408	81.5
220.09644	1.4
225.15993	1.0
227.13876	1.7
229.11855	4.1
233.14996	1.9
254.15021	1.8
270.18256	2.7
272.16049	19.5
284.19684	5.2
288.12396	0.7
300.19284	1.8
324.63516	1.2
345.15488	1.0
353.21835	4.2
371.22931	24.9
389.14474	15.3
389.23996	11.4
389.69394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2397
Annotation	Lys Ile Glu
Peak:m/z	Relative Intensity
62.34362	0.4
65.82339	0.4
70.06580	0.6
72.04497	0.7
72.08158	4.6
84.05605	1.6
84.08124	1.7
86.59867	0.5
90.88949	0.5
92.63010	0.4
113.10725	1.7
114.09179	11.4
114.10271	1.8
137.09645	4.6
143.11783	0.9
154.12239	1.5
156.11349	1.8
173.14014	3.4
174.79463	0.4
194.12938	0.9
197.13980	15.0
197.15810	0.6
198.14745	0.6
205.07855	0.5
213.06630	1.0
215.08220	3.5
225.03876	0.6
240.13138	0.6
241.06096	1.0
258.14331	0.5
271.13998	0.7
289.20276	1.0
307.21274	4.9
309.22858	0.5
312.19022	0.5
313.46030	0.4
314.41101	0.5
325.22293	5.8
343.23483	0.9
353.21756	5.7
357.15668	0.6
371.22864	13.0
389.19601	4.5
389.23923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05552	0.3
56.05014	0.3
58.25577	0.3
60.25760	0.3
69.63147	0.3
70.06579	0.5
72.04517	0.8
72.08152	1.9
84.04504	0.5
84.05637	2.4
84.08125	1.5
86.09721	0.7
95.04958	0.4
107.04939	0.7
113.09525	0.3
113.10744	0.5
114.09173	10.8
115.08682	0.4
121.03941	0.5
123.04543	0.4
131.11778	0.4
137.09624	4.5
138.10287	0.4
139.05006	1.4
143.11819	0.6
149.05905	0.4
154.12300	1.4
156.11340	1.7
173.13960	2.7
194.12872	0.8
197.13983	16.6
211.94298	0.3
214.35207	0.4
235.15529	0.8
258.14465	0.6
271.14114	0.6
276.15521	0.4
289.20120	0.6
294.18109	0.4
307.21246	6.3
309.22882	0.8
312.18954	0.4
325.22330	4.9
330.20120	0.5
343.23318	1.3
353.21780	5.3
371.19354	0.4
371.22870	15.5
389.23935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2187
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
58.06366	0.4
58.06610	7.8
59.80494	0.2
68.53213	0.2
70.06580	0.5
72.08164	3.0
81.07027	0.3
84.04504	0.6
84.07669	0.5
84.08147	7.4
85.64331	0.3
86.09711	8.1
99.04034	0.3
100.07616	5.1
104.61209	0.3
105.07035	0.6
107.05006	0.3
112.07610	4.8
112.11242	15.5
114.10252	0.5
117.14609	0.3
121.06463	0.5
125.10677	0.3
129.13872	3.8
131.04906	1.4
133.06511	1.2
137.06001	0.3
137.07109	0.4
143.11723	2.2
144.08141	0.6
145.02859	0.4
156.52954	0.3
161.05972	1.4
163.03876	2.6
163.07568	1.2
167.07047	6.9
168.52748	0.3
170.09645	2.0
173.07121	0.3
175.07544	12.8
180.43938	0.3
181.08623	0.4
189.09196	0.3
191.06793	2.5
193.08582	7.7
201.06725	0.3
205.08577	0.7
209.08076	3.9
217.08546	1.0
219.07645	25.8
219.13422	0.7
220.09702	0.4
235.09663	6.0
242.09270	0.4
243.07698	1.4
245.09200	14.7
260.10452	0.3
261.08658	4.8
273.06039	0.4
273.08740	10.5
273.12347	13.0
284.19620	1.1
285.12283	1.0
287.14105	0.4
300.13477	3.7
315.13376	23.0
318.14487	22.8
332.16037	0.4
344.16016	0.4
345.22946	0.3
371.15085	2.7
371.20734	5.3
372.19165	12.0
389.21826	100.0
394.35797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.3
64.35328	3.0
67.05511	38.7
68.25578	3.2
69.03424	5.5
69.07072	4.8
70.39463	3.4
71.04967	4.9
73.23306	3.7
75.90202	3.7
79.05513	30.8
81.07063	77.0
81.22043	2.9
81.31186	3.8
83.05003	5.1
83.08638	7.5
85.02902	5.9
85.06544	5.6
87.00836	4.5
91.05484	26.5
93.07048	35.5
95.08611	64.1
95.32062	3.6
97.06489	5.1
103.05448	3.5
105.07013	26.9
107.04939	5.1
107.08595	43.2
109.10162	40.6
109.94791	3.2
111.04379	3.6
117.07073	4.4
118.78023	3.2
119.08592	45.4
121.10154	64.9
123.11698	16.5
131.04944	20.6
131.08598	6.8
133.06496	6.8
133.10135	42.3
135.08076	7.1
135.11717	26.5
135.71974	3.1
137.05960	5.9
143.08597	4.2
145.10089	5.4
147.08006	7.8
147.11723	33.8
147.79219	3.9
149.13263	21.3
151.07571	6.1
156.90845	3.8
157.10008	4.4
160.07603	7.0
161.13242	17.0
163.07603	6.5
163.14822	4.4
165.09125	12.8
167.07042	7.6
170.09686	7.0
171.10353	5.0
171.11693	6.4
175.14911	5.1
177.16327	8.4
186.09138	5.5
193.08595	15.5
203.14183	3.6
203.17963	67.4
213.16348	26.5
220.30542	3.4
221.19031	4.3
231.17448	37.3
249.18494	40.0
267.19623	5.4
330.25836	3.9
335.18497	15.4
353.19495	29.7
371.20636	100.0
389.16068	6.8
389.21237	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	389.2072
Annotation	Trimethobenzamide
Peak:m/z	Relative Intensity
51.00809	0.2
53.03957	0.2
55.22410	0.2
58.06599	0.3
72.08164	0.6
85.02888	0.6
87.00830	0.3
91.67538	0.3
93.07008	0.3
107.04973	0.4
116.00204	0.4
127.03901	0.5
128.75659	0.3
137.05971	0.7
144.08096	27.6
145.08882	0.4
158.09657	1.4
161.06033	0.3
163.03888	0.3
167.07140	0.8
170.09654	100.0
171.10428	28.8
175.07526	0.6
181.08696	0.6
187.12343	1.1
192.07791	0.5
193.08630	0.5
201.13896	4.1
202.14664	24.6
210.42627	0.3
227.16493	0.5
227.42934	0.3
230.04933	0.6
259.07520	1.1
261.05630	0.5
264.71622	0.3
267.04449	0.4
285.05417	2.2
347.05554	1.2
371.11017	0.5
371.15402	0.4
389.20712	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93545	0.5
56.47840	0.5
59.57791	0.6
66.16621	0.5
76.05747	0.6
86.80083	0.5
92.18435	0.6
116.53550	0.6
151.13174	0.6
160.07579	39.5
161.08415	0.6
170.09628	1.1
174.09171	3.3
186.09154	100.0
187.09935	41.9
200.10715	1.1
217.13379	4.6
218.14171	31.1
314.17435	2.8
325.63626	0.7
345.21786	14.1
389.20724	95.0
398.55847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1711
Annotation	GS-3
Peak:m/z	Relative Intensity
70.06581	2.3
72.08162	67.7
80.64127	0.9
81.03424	2.1
89.10797	20.0
93.03412	1.4
98.06030	1.5
115.05471	0.9
116.27908	1.0
119.04967	1.2
121.02878	6.0
141.06918	1.4
147.04387	9.0
148.04735	10.0
153.03566	1.0
163.03923	1.4
165.06961	1.5
167.07094	2.1
169.06483	7.2
175.07565	0.9
181.06488	5.6
183.08049	1.0
185.05965	5.9
193.06580	2.4
197.05975	2.2
199.03911	66.7
199.07562	6.1
209.05940	6.9
213.05487	31.2
215.03381	11.8
227.07086	7.0
237.05502	7.3
241.04948	22.7
255.06548	16.5
265.04938	12.6
283.06058	6.8
300.08838	4.1
301.07028	1.1
303.13861	1.4
312.08633	9.1
345.15128	5.5
348.11728	1.3
354.13324	14.8
371.15997	20.9
372.14682	1.2
389.13135	14.9
389.17798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1706
Annotation	GS-3
Peak:m/z	Relative Intensity
53.38447	0.8
54.31542	0.9
62.06057	0.8
69.03413	1.2
70.06602	1.1
70.20138	0.8
70.23452	1.0
72.08157	33.6
84.08096	1.0
85.02900	1.5
89.10786	6.2
93.03398	1.1
96.29041	1.0
96.32078	0.9
97.02876	1.2
98.06039	1.4
107.04968	1.4
108.59402	1.1
117.62113	1.0
121.02877	8.1
144.08128	2.4
145.08394	1.4
147.04449	11.5
148.04773	6.8
163.03958	1.2
166.02625	1.1
167.07060	7.1
169.06509	1.9
185.05956	1.7
191.07047	1.3
193.74864	1.0
199.03911	100.0
209.05959	4.6
213.05492	18.0
215.03409	10.5
227.06995	4.1
237.05424	2.5
241.05072	1.8
249.09180	1.4
255.06534	6.3
265.04941	1.1
277.08548	1.3
283.06039	10.6
295.09796	2.4
301.07324	1.1
309.11295	4.2
329.14151	0.9
341.13943	6.6
349.95624	1.1
354.13306	13.0
371.15918	23.0
389.17108	75.2
389.21634	3.9
389.27353	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	389.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52592	0.9
51.77710	0.9
53.22622	0.8
56.89005	0.8
58.06607	2.6
58.47733	0.9
62.94167	0.9
69.37772	0.9
70.06594	1.9
72.08162	4.8
84.08135	4.2
88.12959	0.9
98.39411	1.1
100.07621	1.3
105.07057	5.3
107.04920	1.8
112.07616	1.3
112.11228	5.1
121.06549	1.8
123.04435	2.0
130.06470	1.4
133.06509	7.0
135.76744	1.1
136.07780	1.3
137.05998	1.5
143.11769	1.2
149.05974	1.6
152.07979	1.1
157.06450	2.1
161.05965	10.2
163.03864	4.4
163.07585	8.2
167.07042	49.4
170.09639	4.6
174.11530	2.2
175.07536	100.0
177.06810	1.3
185.06116	1.8
189.08978	1.3
191.07043	16.6
193.08612	59.8
196.11301	2.3
198.09113	2.2
202.14519	1.2
205.08644	7.1
209.08075	26.7
217.08582	9.5
219.07599	9.9
235.09647	32.6
245.09274	5.8
261.08884	1.5
273.08701	2.6
273.12323	5.3
274.43802	1.1
297.49371	1.0
315.13309	10.0
318.14606	11.2
330.10565	6.3
348.11542	1.5
353.13049	1.9
371.14908	29.1
372.19284	4.6
389.17111	7.1
389.21896	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1597
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
52.83912	0.8
69.61553	0.8
79.05540	1.0
84.40398	1.0
85.02891	1.3
85.08371	1.0
104.53862	0.9
105.07046	5.1
107.04964	4.1
121.06476	2.1
131.04936	1.3
133.06505	7.3
137.05978	1.5
145.06210	0.9
147.08058	3.1
150.23503	1.0
151.07536	1.1
157.06520	1.4
160.07597	2.1
161.05998	11.3
163.07544	5.9
167.07031	59.9
170.09637	1.5
175.07544	100.0
181.05032	1.0
185.06041	0.9
186.09099	8.3
187.09915	1.6
189.09142	5.4
191.07037	19.0
193.08606	48.9
193.10284	1.9
202.06252	1.3
205.08652	12.2
205.33662	0.9
209.08067	20.3
217.08595	19.8
218.14304	1.8
235.09642	28.1
235.35976	0.9
261.09058	2.2
265.08655	1.6
279.10162	1.2
289.08502	4.4
291.99387	1.1
292.07401	1.4
297.11136	2.2
306.08884	1.2
307.09714	2.0
311.12756	1.1
321.11221	5.0
329.13931	1.4
330.10611	1.2
338.11285	1.3
339.12375	5.0
353.13815	16.5
371.14880	46.5
389.16272	1.8
389.20679	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	389.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31355	1.5
56.90575	1.6
61.56342	1.6
83.04964	1.7
92.85163	1.9
93.03398	8.7
93.29467	1.6
95.04969	8.2
97.31512	1.7
104.40685	1.8
119.01916	11.3
121.02859	58.1
127.02393	15.5
139.03886	2.1
141.03931	2.0
145.03474	82.4
151.02464	3.1
153.04008	15.3
163.04517	13.2
167.89664	1.8
169.03482	18.9
171.01329	6.2
171.05023	25.3
173.02998	2.5
179.01878	17.3
182.99309	1.8
187.04573	7.2
189.00893	1.9
189.02478	8.9
195.05103	3.5
197.02959	100.0
203.01947	2.2
209.06601	6.9
215.04016	50.1
219.05089	10.1
220.04456	2.0
221.02919	4.4
221.06570	8.2
223.04544	7.6
227.07649	2.5
229.03415	26.6
233.05028	22.2
237.06107	31.6
238.02885	1.9
239.04106	3.2
241.05554	3.9
247.04504	50.9
255.07101	14.8
257.05145	6.3
259.06595	3.8
263.03925	4.4
265.05545	21.2
273.02380	3.0
273.08249	8.9
275.06180	6.9
281.05069	7.4
283.06628	46.8
285.04507	2.5
291.03461	2.8
291.09497	2.4
299.03558	3.5
299.06546	3.4
301.04367	3.9
301.07703	63.9
301.11057	3.8
303.05627	7.8
309.04587	10.6
327.05576	30.8
329.03314	3.8
335.06107	2.5
345.06610	49.8
345.10614	2.5
347.04575	4.0
353.03607	2.5
371.04562	23.1
371.08234	5.6
389.04785	51.9
389.09268	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96225	7.9
56.95162	7.4
61.02939	100.0
69.07059	16.0
71.05000	11.5
73.02921	17.1
81.07060	15.9
83.08594	10.9
85.02907	79.1
91.03961	68.3
94.37365	9.1
97.02891	49.8
97.10191	12.8
127.03926	8.4
142.00586	8.2
145.04991	10.0
164.98398	9.3
176.96921	14.5
208.99615	8.5
228.91933	7.9
246.06683	9.0
251.10194	8.8
287.13220	18.5
325.23557	11.2
367.66083	17.7
368.15768	84.0
388.30301	10.8
388.34543	12.5
410.21063	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	388.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06671	0.7
70.06592	1.3
71.62096	0.8
72.08133	3.7
73.66527	0.8
81.79701	0.9
82.05052	1.0
84.08112	1.1
91.05476	1.6
100.07623	21.5
101.70381	0.7
110.09659	2.1
119.04926	6.6
119.45326	0.9
126.12792	100.0
131.04906	1.1
132.64043	1.0
147.04414	85.6
154.12329	1.4
163.03877	1.4
164.04320	1.0
167.06987	4.0
168.07323	1.9
169.13208	1.1
171.14896	8.6
218.11812	1.6
224.19165	0.8
224.21291	3.3
225.19632	2.0
242.22264	15.1
244.37779	1.0
273.67944	1.0
286.08350	1.0
329.10153	12.7
347.11237	5.8
352.12744	1.5
356.15845	1.3
362.14862	0.9
388.18021	3.4
388.25955	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01855	0.3
58.06599	1.6
72.08155	1.6
84.04495	1.7
84.08128	0.8
85.02944	0.4
85.62731	0.4
117.03367	0.5
128.43883	0.4
130.04997	0.8
144.08095	25.4
145.08852	0.6
147.04405	1.5
158.09659	0.5
163.03894	5.9
166.44078	0.3
167.81323	0.4
170.09645	100.0
171.10422	29.2
187.12238	0.6
201.13879	3.9
202.14655	27.2
205.08556	0.4
220.09673	0.8
232.70416	0.4
301.19061	2.4
323.63248	0.5
350.63425	1.3
388.22311	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15130	0.2
57.76264	0.2
58.06589	0.6
58.90257	0.3
63.38962	0.2
135.37819	0.3
136.60550	0.3
143.07285	0.3
144.08093	24.1
145.08855	1.2
158.09691	1.9
159.10526	0.4
162.67560	0.3
170.09650	100.0
171.10428	27.3
201.13849	4.0
202.14661	23.8
291.69049	0.3
319.55789	0.3
388.22324	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88750	1.2
53.03950	1.9
55.01876	7.2
56.28080	1.2
57.03439	2.5
61.02934	2.5
69.03432	26.5
71.04983	6.4
72.04517	2.2
73.02908	6.4
79.85545	1.3
81.03437	17.5
85.02914	100.0
87.00837	32.2
92.18356	1.5
97.02900	27.9
99.04459	14.8
100.07613	8.4
105.01177	3.0
105.01878	73.9
105.07048	30.2
108.04491	1.8
109.02881	27.4
119.08522	1.6
127.03918	80.6
129.01826	2.7
138.06277	2.0
142.08620	1.5
145.04956	28.8
147.02962	1.8
149.64601	1.4
159.02919	19.8
189.04039	2.3
213.09175	1.6
231.05022	35.5
231.10088	2.1
236.65500	1.3
249.06009	17.1
335.11279	3.0
353.12296	2.3
388.15973	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31202	0.3
52.37066	0.3
55.01884	0.7
57.03429	0.3
61.02934	0.5
61.55890	0.3
69.03439	3.0
70.06615	0.6
71.05016	0.3
72.08198	0.3
73.02924	0.6
79.05491	0.7
81.03412	2.3
84.08160	1.2
85.02913	12.7
87.00830	4.3
91.03970	0.5
97.02895	3.9
99.04469	2.0
103.04000	0.5
103.05489	0.5
105.01876	7.1
105.07041	100.0
108.04495	0.5
109.02894	3.8
119.08568	3.3
122.09692	0.5
126.05544	0.6
127.03911	7.8
129.01848	0.6
137.06001	0.7
143.03410	0.5
143.08617	0.7
145.05002	1.8
147.02859	0.4
147.08076	3.1
159.02907	2.4
159.08075	1.8
163.03896	0.5
171.08080	1.8
185.09679	1.5
189.03934	0.7
189.09206	0.6
193.33476	0.4
195.08109	1.7
213.09093	2.3
231.05083	2.5
231.10081	2.5
248.07761	0.5
249.06279	0.4
263.72186	0.3
297.27051	0.3
317.10312	1.5
335.11380	2.0
353.12466	0.6
371.88437	0.3
388.15976	3.2
388.23578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40858	0.5
55.95238	0.5
70.64127	0.5
71.90884	0.5
72.08160	0.9
75.16158	0.5
82.76241	0.5
84.05634	9.2
84.08161	2.1
86.09699	1.2
96.05601	3.2
108.05602	1.2
110.07152	1.1
112.05087	5.4
120.05576	0.8
124.05069	1.2
126.06649	9.7
129.10222	1.1
136.05034	2.5
138.06633	8.3
140.04530	4.6
142.06129	2.7
148.07559	0.8
151.54924	0.6
154.06085	4.1
156.07668	1.0
164.04520	0.7
167.06993	1.4
172.73340	0.6
176.07071	1.1
177.05380	0.8
182.05620	6.4
194.08160	3.0
200.06668	2.4
208.10921	0.8
218.07784	1.0
232.10532	1.0
254.11327	21.6
262.11856	2.5
276.09808	1.0
278.11288	3.0
280.12897	4.2
282.10797	1.3
288.09943	1.0
290.11230	1.3
296.12402	22.8
304.09335	1.0
306.10855	13.6
308.12531	9.9
312.11871	6.0
322.10431	4.6
324.11914	13.3
326.13437	3.2
334.10370	7.4
352.11404	10.9
370.07651	0.9
370.12405	24.4
370.16754	1.2
388.13486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2603
Annotation	Circinamide
Peak:m/z	Relative Intensity
51.06317	0.3
70.06596	0.5
72.04529	0.7
72.08150	1.9
82.71316	0.3
84.05633	4.9
91.64867	0.3
114.09182	12.2
138.10268	1.8
150.58464	0.3
197.13989	27.5
203.84900	0.3
223.12268	0.4
238.15625	0.7
256.16608	2.1
274.17624	1.5
310.21143	0.7
328.22339	0.8
331.92084	0.3
351.23965	5.6
355.23544	1.6
369.20581	0.6
369.24976	14.0
374.42535	0.3
387.26035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26590	0.2
70.06608	0.5
72.04509	1.2
72.08140	1.5
81.34187	0.3
84.05631	6.7
114.09172	13.4
138.10245	1.3
150.72487	0.3
166.32158	0.3
197.13988	36.5
202.72638	0.3
243.06667	0.3
256.16626	1.5
274.17593	1.4
292.42990	0.3
328.22290	1.3
350.70978	0.3
351.23892	2.7
355.23447	1.9
369.13055	0.4
369.20514	0.5
369.24902	8.1
387.26044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2017
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.39529	1.0
55.05510	2.6
55.16456	1.0
55.30434	1.1
57.07068	2.3
58.01614	1.0
59.33470	1.1
67.05521	9.8
69.03434	2.4
70.06601	2.1
72.08132	5.0
81.07036	2.8
83.04996	1.3
84.05620	2.3
84.08142	2.8
85.02911	4.9
85.06550	16.9
86.09706	2.2
89.28165	1.3
91.05509	1.8
92.17855	1.7
93.07060	2.8
95.04971	4.4
95.08610	95.2
97.02937	1.2
105.07043	5.9
107.08598	11.0
109.06520	2.1
109.10167	5.0
113.06006	9.9
119.08585	16.1
121.10149	9.1
123.08064	48.9
123.11685	7.1
133.10127	2.3
135.11690	18.6
137.09641	1.6
139.07516	1.3
144.10214	1.5
147.08153	1.5
147.11668	8.5
149.09631	31.7
151.07526	1.7
151.14780	2.5
156.09085	1.4
156.99118	1.2
161.13243	10.1
163.03902	2.4
163.11172	8.5
165.12737	10.7
174.10500	1.3
179.14299	2.2
189.12735	16.4
203.07059	1.5
207.13806	100.0
225.14806	7.2
296.61459	1.4
387.15533	5.6
387.20215	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	387.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
57.07089	16.4
57.38480	0.7
60.26439	0.8
71.04646	1.0
71.05000	16.0
77.03911	1.0
80.84541	0.9
83.04986	25.8
101.06035	9.4
116.41840	0.9
129.63126	0.9
147.11684	4.0
157.95979	0.8
175.01556	100.0
181.02597	1.7
193.02409	1.0
193.99449	0.9
227.04735	7.3
231.07825	7.8
275.06772	12.0
331.13046	69.7
382.51926	0.9
387.19308	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1444
Annotation	Magnolone
Peak:m/z	Relative Intensity
54.61718	1.8
55.01884	2.9
55.77825	2.1
57.49016	2.3
59.09159	2.1
63.59966	2.1
66.34806	2.5
70.06572	3.6
72.08170	21.4
73.12566	2.7
80.30439	2.2
91.05476	4.1
95.04963	3.9
103.05470	2.7
105.07027	13.2
106.04193	3.2
107.04963	5.7
115.05389	2.5
119.04951	3.5
119.08606	3.1
121.06463	3.3
122.06066	2.2
123.04423	2.8
131.04916	14.3
133.06493	16.4
135.08125	2.6
136.07576	3.6
137.05988	100.0
143.04927	4.5
144.08099	4.3
145.06543	3.5
145.08447	2.8
147.04472	4.1
149.05983	14.3
151.03928	3.4
151.07590	4.1
161.05983	15.2
163.03929	5.7
163.07536	21.9
164.07074	10.2
165.05507	5.3
167.07033	71.6
170.09712	4.5
171.10126	2.7
173.05977	4.8
175.07590	2.9
177.05469	16.5
179.07039	5.2
181.04984	21.9
189.05476	4.8
189.09088	4.4
191.07030	17.8
192.07791	4.1
193.08603	13.9
195.06523	3.7
203.06973	3.4
205.08504	2.8
207.06525	26.6
209.02762	5.2
215.07036	12.9
231.08218	3.2
233.08105	10.2
277.08688	5.0
295.09735	8.8
305.08298	3.4
307.09677	3.5
309.11133	2.6
319.09769	3.5
323.09198	4.2
327.12363	12.7
335.64896	31.4
337.10654	9.5
339.12488	4.2
349.64703	9.1
351.12289	4.5
355.11768	5.8
357.13382	9.4
369.13254	32.2
369.17188	3.7
372.15439	3.5
386.85089	3.1
387.14401	65.6
387.19492	6.1
387.24869	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	387.1441
Annotation	(-)-5-Methoxybalanophonin
Peak:m/z	Relative Intensity
54.62902	0.9
66.39069	0.8
67.44551	0.8
70.06591	1.6
72.08167	8.0
74.28445	0.8
79.05458	1.0
91.05453	1.5
95.04934	1.3
103.05470	4.6
105.07016	5.9
107.04958	10.6
113.97533	1.0
121.06503	1.8
123.04440	2.1
123.08069	1.2
124.05206	1.3
131.04936	13.6
133.06491	10.8
137.05986	12.8
145.02829	1.7
145.06468	2.1
147.04462	4.3
149.05957	1.5
151.03827	1.4
151.07565	8.1
155.04887	2.2
161.05966	15.8
162.06712	1.7
163.03912	12.4
163.07512	19.2
165.05475	1.6
165.09131	5.0
167.07025	100.0
173.05986	6.5
175.07523	2.1
177.05458	4.2
177.09044	1.3
179.07039	15.3
181.04982	12.9
181.08578	7.9
183.04431	4.1
187.07506	8.4
189.05420	1.9
191.07101	2.2
193.08620	23.8
200.04649	6.1
203.08679	1.3
205.08562	2.2
207.06503	6.5
210.08852	4.0
215.07008	21.7
217.08562	1.5
225.07549	10.5
231.07959	2.1
233.11717	1.4
235.07455	1.2
249.09100	1.5
258.06601	1.3
258.50769	1.0
259.07556	4.8
263.10681	3.7
272.05026	1.7
276.07938	1.9
277.08612	5.0
287.07040	4.7
290.05853	4.3
290.09488	1.3
291.10172	3.8
294.09180	1.0
295.09827	2.2
304.07254	2.2
305.08026	8.5
318.08832	1.6
319.09683	6.7
319.62930	1.0
323.09088	1.4
323.12796	2.3
327.12375	5.2
336.10065	1.7
337.10757	11.2
341.14063	1.6
351.12262	33.2
355.11685	18.5
355.15494	15.0
369.13318	20.8
387.14322	12.3
387.18622	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	387.1439
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01887	0.9
64.16254	0.7
65.03936	0.7
70.89744	0.8
75.02873	0.7
81.03471	0.7
89.92188	0.6
91.16772	0.7
92.17772	1.0
95.04954	0.9
100.15174	0.6
103.05452	2.9
107.04964	2.7
122.03670	0.8
125.05999	0.9
129.69321	0.7
131.04926	6.1
137.05986	82.3
143.04913	1.5
145.06525	2.8
148.05186	1.5
151.03903	12.5
153.05444	1.0
163.07513	4.9
165.05431	1.0
167.06993	9.3
173.05995	4.2
173.96518	0.7
175.07539	1.7
181.04956	19.1
191.07013	17.0
203.07045	0.8
205.08585	1.4
224.08412	1.1
225.09116	1.1
233.08044	0.9
235.07449	1.0
235.09605	1.0
237.09077	1.6
240.70285	0.8
247.07582	0.8
249.09052	0.9
252.07776	0.9
253.08539	1.2
263.09125	1.2
264.07565	1.2
265.08591	16.5
266.09451	3.2
267.10245	1.1
279.06641	0.7
279.10092	1.0
281.08139	1.2
281.11581	1.0
282.08847	1.7
293.08118	1.3
295.09763	1.2
297.11191	1.0
298.08313	0.9
309.11099	6.7
311.12772	1.6
312.09326	0.8
313.10867	1.2
325.10776	2.8
327.12384	1.2
337.10754	3.1
339.12332	1.1
342.43677	0.7
351.12289	1.6
357.13068	6.3
369.13312	4.2
387.14380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1441
Annotation	Magnolone
Peak:m/z	Relative Intensity
54.16079	0.6
55.01880	0.8
57.26743	0.6
65.03941	0.8
65.04837	0.6
69.24696	0.7
72.08126	0.6
106.70419	0.8
107.04932	1.4
115.05495	0.8
117.07014	0.9
122.03587	1.2
122.05998	0.9
124.07553	1.2
131.04892	1.7
136.49483	0.7
137.05983	100.0
143.04933	4.2
145.06477	3.0
151.03911	5.2
161.05896	0.7
164.07097	1.3
167.07037	15.9
172.05190	1.1
173.05948	4.6
175.07603	0.8
181.04936	24.5
185.05913	1.0
191.06964	3.0
203.06992	5.5
208.55188	0.7
215.07071	1.2
233.08046	1.5
235.09662	0.8
299.09015	0.8
308.09760	1.0
331.09995	2.8
337.10199	0.8
357.13257	7.4
369.13092	1.4
387.14362	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1442
Annotation	Magnolone
Peak:m/z	Relative Intensity
52.07347	2.7
55.01883	3.4
62.97776	3.0
65.76964	3.0
68.90736	3.5
69.07056	7.7
69.32116	3.1
78.21541	3.0
79.05460	4.6
92.18473	6.8
97.10198	5.9
100.33444	3.2
109.74174	3.2
111.04460	3.8
131.04929	4.9
137.05986	69.9
137.06975	5.6
143.07005	5.3
151.03871	5.3
153.05478	4.5
167.07030	38.0
181.04990	8.5
191.07033	19.3
258.61420	3.9
263.38062	4.0
265.08600	19.0
277.08487	4.4
279.10135	3.9
279.94907	3.4
283.09851	4.2
291.10034	4.1
305.08215	6.5
309.11349	5.9
319.09756	7.5
337.10745	16.9
351.12375	16.1
357.13315	8.5
369.13196	18.7
387.14490	100.0
387.20062	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1442
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.56713	0.3
63.26186	0.3
69.07075	0.8
78.82050	0.3
79.05470	0.5
85.02882	0.4
93.57578	0.3
95.23511	0.4
96.94707	0.4
107.04954	0.9
109.02925	0.5
113.91244	0.5
117.07020	0.6
122.03658	2.0
127.03941	0.7
130.79854	0.3
131.04941	2.1
137.05991	100.0
143.04958	2.9
144.08113	2.1
145.06531	1.6
151.03937	3.6
160.07559	0.5
163.07526	0.5
167.07043	9.6
170.09592	2.6
171.06543	0.5
171.10419	1.3
173.06009	4.9
175.07596	0.6
176.04587	0.4
177.05482	0.9
181.04961	16.6
186.09196	3.6
187.09898	1.7
188.13089	3.2
191.07037	5.5
196.70886	0.4
203.07016	0.5
205.08623	3.1
207.07994	0.4
215.07082	0.6
218.14207	0.8
233.08090	2.4
235.09695	1.6
250.93961	0.4
263.07086	0.6
266.09512	0.5
267.10132	1.7
273.19559	4.5
277.08539	0.6
294.09036	0.4
295.09689	1.9
300.38516	0.4
312.10052	0.5
323.09088	1.4
327.12238	6.8
337.10742	0.6
355.11807	1.8
357.13324	6.1
369.13309	2.4
387.14407	58.8
387.22485	2.2
387.26462	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	387.1442
Annotation	(-)-5-Methoxybalanophonin
Peak:m/z	Relative Intensity
100.19102	1.8
100.97590	1.9
102.34407	1.9
137.05980	57.8
149.05980	2.3
151.03870	3.3
161.09592	10.7
167.07028	10.8
170.09671	1.9
173.05959	3.5
181.04956	26.3
189.00612	1.9
191.07024	9.0
205.08566	1.9
209.07994	2.1
215.07024	4.1
215.27779	2.1
221.09584	2.2
238.09843	2.4
249.09026	3.3
253.12340	2.2
262.99127	1.9
266.09299	3.2
277.08725	3.2
291.09921	2.3
298.08331	3.3
300.09924	2.9
307.09467	2.2
309.11221	3.8
311.09314	2.4
313.10727	44.3
313.14270	3.2
319.09747	2.3
328.09616	2.1
337.10596	3.3
341.10272	23.1
341.13892	3.4
347.40045	1.9
351.12195	8.4
357.13278	3.3
369.13220	27.2
387.14355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01875	6.7
56.29093	1.4
77.05042	1.5
79.05485	3.0
81.65820	1.7
91.05437	1.8
95.04926	3.0
95.78766	1.6
103.05467	3.2
107.04936	10.2
131.04887	11.4
137.05988	62.1
143.04939	2.3
145.06413	3.3
151.03889	10.7
153.05385	2.2
155.04887	3.1
161.05876	1.8
163.07541	9.7
167.07045	39.3
173.05954	2.3
175.07547	3.7
177.05466	2.9
180.04254	2.1
181.04938	20.0
187.07562	2.2
191.07027	29.7
195.06554	8.6
203.06950	3.5
203.08655	3.7
204.09355	2.1
215.06921	2.0
219.08069	3.8
221.09479	1.9
227.88802	1.9
231.08023	9.0
234.06734	4.3
235.07504	3.5
237.09073	2.9
247.07579	6.0
248.08345	2.6
249.09079	11.5
252.07907	2.1
258.06625	1.9
259.07578	9.9
260.08197	3.7
261.08920	3.3
263.07019	2.8
264.07867	3.1
265.08618	21.5
266.09442	6.8
267.06702	1.9
276.07864	10.1
277.08575	10.5
279.06418	3.6
279.10199	4.2
281.11511	2.4
287.07074	4.2
291.10126	11.2
292.07370	1.9
293.08136	7.2
294.08798	2.5
296.10513	2.2
299.12540	2.2
304.07300	2.4
305.08133	20.3
306.08856	2.4
307.09628	6.8
309.08109	2.0
309.11136	16.4
319.09604	18.3
321.07681	2.8
322.08322	2.2
323.09064	2.5
325.10690	2.6
327.12238	2.9
337.10699	36.4
339.12094	13.1
351.12201	28.9
354.11047	2.1
357.13101	16.2
369.13391	38.1
387.14368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
52.70786	1.1
54.61276	1.1
54.80610	1.2
55.01876	1.8
56.89649	1.0
65.03956	12.2
65.11668	1.3
67.05518	1.8
67.68359	1.2
72.04450	1.4
82.76518	1.1
91.05483	1.9
93.03415	15.1
95.04982	2.6
107.04964	5.6
110.03664	15.2
111.04449	18.0
111.29169	1.5
112.66303	1.5
116.98164	1.7
121.02863	34.2
125.05972	19.2
131.04895	3.1
137.05974	20.5
153.05469	64.0
159.08055	8.7
167.07031	6.7
170.09639	4.9
175.07550	2.1
177.05463	1.8
179.08604	2.4
181.04979	30.9
181.06442	2.4
187.07520	1.4
190.07870	2.0
191.06973	3.2
191.08571	3.1
194.07358	1.6
195.07986	2.6
197.09639	2.1
199.07573	2.5
207.08035	2.2
208.08801	2.4
210.06955	1.7
211.07457	2.0
217.08598	3.1
219.08061	5.6
220.08829	3.0
222.06807	1.6
223.07523	5.5
225.09126	5.6
226.06192	6.7
234.06879	1.7
235.07677	2.6
236.08366	9.2
237.09065	1.8
239.07089	6.7
239.10684	2.8
240.07951	1.5
247.07507	1.9
247.09697	15.4
251.10703	6.6
253.08614	25.4
254.09314	8.6
263.06976	1.6
264.07803	5.4
265.08572	7.3
266.09268	1.4
267.10187	6.9
269.11609	10.6
270.09085	2.5
279.10266	7.5
281.07999	1.5
282.08960	3.2
283.09610	2.4
295.09634	8.7
297.11200	18.8
299.12637	1.8
307.09784	1.6
311.12790	6.7
312.09979	1.6
313.10663	11.4
325.10715	54.7
326.11508	1.6
327.12250	8.4
329.13818	29.7
337.10410	1.7
339.12469	5.5
355.11697	1.8
357.13330	100.0
369.13278	5.3
387.14362	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
55.01867	2.4
65.03941	4.1
81.07088	1.7
88.05473	1.8
93.03410	2.9
95.04948	1.9
107.04942	3.9
110.03661	7.1
111.04431	10.1
121.02852	8.7
125.05959	7.4
137.05986	100.0
143.05022	3.1
144.08096	8.5
145.06580	2.3
151.03899	7.4
153.05463	25.0
159.08087	3.6
167.07077	15.9
170.09676	27.2
171.10437	6.2
173.05960	3.6
181.04944	33.4
181.06444	2.7
191.07002	3.9
195.08032	2.2
201.13933	2.1
202.14670	3.8
203.07050	2.7
205.08833	2.2
217.14198	1.8
219.08127	2.4
235.07484	2.4
239.07080	2.2
247.09668	3.5
251.10739	2.2
253.08554	10.3
264.08023	2.2
265.08585	2.0
267.10080	2.3
269.11795	3.5
279.10007	2.7
283.09805	2.1
285.32034	1.8
295.09674	2.5
297.11279	9.1
313.10834	1.7
325.10706	21.3
327.12082	2.5
329.13751	6.9
337.10773	2.5
339.12234	3.0
355.11826	3.3
357.09308	3.2
357.13327	45.8
365.21320	1.8
369.13379	6.4
387.14401	64.8
387.20862	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	387.1443
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01882	0.3
65.03951	0.4
69.07055	0.5
79.05496	0.6
79.89498	0.3
81.03426	0.5
83.98099	0.3
90.06750	0.4
94.04191	0.6
98.98724	0.4
103.05475	5.9
105.07030	0.7
107.04974	1.6
115.05456	0.9
117.07036	1.4
118.04182	0.8
122.03658	1.8
125.05982	0.6
128.52095	0.5
131.04922	10.9
133.06496	2.0
135.08049	0.7
137.05983	100.0
143.04935	2.1
145.06516	2.6
147.08051	0.5
148.05147	4.6
149.06017	0.7
151.03905	27.4
153.05443	0.8
161.05954	0.6
163.07527	9.1
165.05548	0.5
167.07036	12.1
171.06538	0.6
173.05956	5.8
175.07558	1.9
176.04776	0.7
181.04958	21.4
186.11559	0.4
191.07027	38.7
195.06563	0.7
203.07027	2.2
205.08684	2.7
209.08061	0.6
217.08585	0.5
233.08029	0.9
235.09700	1.4
263.09192	1.7
277.08646	0.5
297.11267	0.5
337.10709	0.7
341.13788	0.4
351.12134	0.5
355.11600	1.9
357.13272	6.9
369.13217	0.8
387.14365	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	387.1441
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
57.03426	0.8
58.39727	0.5
59.91158	0.6
63.45990	0.7
67.05501	0.8
68.12780	0.6
79.05486	1.2
81.07035	1.1
91.05466	0.9
93.07060	0.8
95.08602	1.4
103.05460	3.6
105.07058	0.8
107.04970	1.5
107.08622	0.9
115.05454	0.8
117.07007	1.2
121.06509	1.1
121.10128	0.8
122.03648	1.1
131.00739	0.7
131.04066	0.9
131.04935	9.0
133.06496	2.9
135.54762	0.7
137.05980	100.0
143.04941	4.2
145.06467	4.0
145.10130	0.7
147.11725	1.2
148.05167	1.2
149.06007	1.0
151.03908	13.8
151.05000	1.5
153.05492	3.0
161.05969	1.7
163.07521	9.2
165.05479	1.0
167.07039	14.7
171.06487	1.5
173.05923	5.2
175.07570	2.7
181.04951	52.0
191.05371	1.2
191.07037	25.7
193.08611	1.1
201.16420	0.8
203.07028	2.5
205.08575	4.6
215.06969	0.9
232.00633	0.9
233.08090	4.7
235.07454	1.2
235.09682	1.3
237.18500	1.0
247.16980	1.4
263.06857	1.2
263.09299	0.8
264.07785	0.7
267.10123	4.4
277.08615	1.3
295.09726	6.4
304.32391	0.8
309.11087	0.9
323.09113	3.5
327.12299	15.3
337.10782	3.9
341.13702	0.9
351.17947	1.2
355.11823	4.8
357.13315	6.2
369.13342	8.7
369.19034	2.7
387.14389	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
50.24798	0.7
55.01883	0.8
65.03931	1.4
66.11201	0.8
67.05490	0.7
77.61232	0.9
83.04440	0.8
85.57667	0.8
91.05466	0.9
93.03385	3.6
95.04951	1.2
107.04955	4.5
110.03649	4.2
111.04433	4.6
111.42494	0.8
113.17933	0.7
115.67651	0.7
121.02861	5.3
123.04401	1.2
125.05969	5.2
131.04892	1.2
137.05983	100.0
143.04922	1.1
145.06450	1.9
147.08029	1.8
151.03925	4.4
153.05486	14.5
159.08017	1.2
161.05891	1.1
163.07544	1.2
165.05432	2.0
167.06998	8.8
170.09679	1.0
175.07495	3.6
177.05318	1.4
181.04950	13.6
181.06412	1.4
191.07130	1.1
201.05434	4.3
203.05342	0.9
203.07014	4.9
223.07600	1.0
225.09238	1.1
233.08022	1.6
235.09607	3.1
237.09108	0.9
238.30786	0.8
247.09695	1.9
249.09143	1.5
253.08568	4.7
260.77600	0.8
263.09167	3.2
265.08594	1.1
267.09958	1.3
269.11652	1.4
279.10312	1.5
281.08121	0.9
295.09686	1.1
296.10220	1.1
297.07724	1.4
297.11105	1.7
311.09128	1.0
311.12744	1.8
313.10654	1.6
325.10614	13.3
327.12097	1.5
329.10385	1.2
329.13879	4.7
337.10666	3.4
357.09531	3.3
357.13364	26.5
369.13284	2.1
387.14365	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1263
Annotation	DPPP
Peak:m/z	Relative Intensity
51.70769	0.3
54.26880	0.3
60.04513	0.4
60.05650	1.6
69.03437	0.6
70.06598	9.8
71.04996	0.8
72.08141	2.6
84.04481	0.9
84.08144	0.8
85.02929	0.9
86.09721	4.4
89.72398	0.4
90.97488	0.4
92.18430	0.4
97.02882	0.6
105.07038	0.7
108.64141	0.5
112.08716	2.6
115.08665	0.5
116.07070	1.9
121.07615	0.5
127.04014	0.5
127.08710	3.2
137.05975	1.1
139.07330	2.1
139.08661	7.0
140.08266	0.5
155.08112	2.3
167.06998	0.6
169.13368	1.0
175.11867	0.9
179.06833	0.7
196.14638	0.4
203.10295	0.6
211.15553	3.5
225.07336	6.6
227.05258	1.7
228.18073	0.6
257.16107	0.8
268.16464	0.8
274.18698	0.8
301.12665	6.8
329.05612	0.5
343.13730	10.7
370.24146	0.5
387.12601	100.0
387.22812	2.3
387.26978	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	386.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85405	0.3
69.07059	0.4
72.08154	0.4
74.88921	0.4
78.03789	0.4
79.05470	0.4
81.07055	0.4
86.09692	0.6
97.06522	1.9
99.68132	0.4
120.08088	0.5
127.66534	0.4
138.09111	0.5
139.03914	1.4
144.08090	67.5
145.08894	3.8
148.07574	1.8
152.10709	0.5
158.09648	2.7
170.09642	69.3
171.10423	13.7
172.09885	0.5
173.10822	0.6
181.05009	0.4
187.12332	7.6
188.13087	31.3
189.13867	1.5
198.11343	0.9
224.10687	3.6
269.16513	3.5
287.17615	2.5
309.13266	0.4
357.12073	0.5
360.19525	0.4
386.24396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07954	0.4
58.06584	0.6
65.63214	0.5
79.62333	0.4
84.04507	0.5
84.89845	0.4
103.37939	0.5
160.07593	34.5
161.08344	0.9
170.09700	0.7
174.09180	0.8
186.09160	100.0
187.09944	40.8
203.11786	0.6
210.71573	0.5
217.13426	3.8
218.14169	39.4
297.54315	0.6
303.20868	0.7
386.24417	98.4
401.25842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64066	0.3
53.92228	0.3
66.26810	0.3
67.05512	0.5
67.45387	0.3
69.07082	4.5
84.08144	1.9
86.16460	0.4
89.55265	0.4
91.05464	0.6
95.04991	0.4
110.06048	0.5
118.51644	0.4
119.04944	1.7
136.07587	21.4
138.05493	4.4
145.67822	0.4
155.08157	100.0
156.06499	0.6
167.08151	10.4
181.09717	5.5
185.09256	5.0
223.00475	0.5
223.14415	39.7
248.81506	0.4
251.13936	2.3
303.69037	0.5
386.20743	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	386.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93056	0.8
55.93327	0.6
58.06607	1.1
61.02916	1.4
64.28051	0.8
69.03426	4.7
70.06596	11.6
72.08150	1.5
81.03419	1.7
85.02917	15.8
87.04488	1.2
87.15770	0.8
97.02863	4.9
99.04432	1.2
102.33522	0.8
103.05492	1.1
105.07050	3.7
109.02911	0.9
120.08093	10.5
121.54684	0.6
127.03923	4.3
131.04868	2.5
145.04982	1.5
146.08136	1.4
160.11218	58.6
163.03923	1.6
171.74036	0.9
178.12268	75.7
206.11752	15.3
220.52621	0.7
224.04382	1.3
224.12811	100.0
227.67299	0.8
247.09770	0.7
313.07010	0.8
386.18292	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
56.69461	0.6
70.04002	0.5
70.06606	5.4
72.04511	2.5
72.08164	11.2
80.68465	0.5
86.09699	2.2
87.56504	0.5
89.10801	5.3
98.06055	10.4
114.09174	10.6
115.08703	8.8
132.10216	1.3
134.02733	0.9
137.06554	0.7
137.47702	0.6
145.02863	16.7
149.05954	0.7
152.07053	3.6
156.83386	0.6
163.03894	0.7
171.38724	0.6
177.05473	100.0
206.11757	7.0
211.93939	0.6
220.69109	0.6
244.12888	2.4
248.12845	5.1
265.15466	60.0
386.13760	1.1
386.17456	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	386.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20977	0.5
51.60134	0.5
57.45457	0.5
60.64647	0.5
69.03410	0.8
70.06592	1.5
72.08155	1.3
83.70992	0.7
84.05632	8.2
85.02910	4.8
97.02891	1.3
99.04449	0.9
106.22927	0.7
106.25838	0.6
109.02873	0.8
110.03528	9.0
112.52363	0.7
120.08111	6.2
122.03524	0.7
126.06596	2.5
128.04572	13.6
140.04610	1.1
147.22958	0.6
149.07048	0.8
150.06613	1.5
150.67151	0.7
152.04570	5.4
160.08684	9.6
161.09462	1.1
162.10260	55.7
170.05583	8.5
174.10310	1.5
178.09737	14.7
186.10297	1.4
188.08191	0.9
191.08313	0.6
192.07658	0.7
194.05617	0.7
202.09769	4.2
204.11331	21.5
206.05615	0.6
206.09250	25.8
218.05643	1.1
218.09441	0.9
220.10826	4.8
224.10300	18.8
234.12428	1.3
236.06683	3.3
240.11345	3.7
248.10315	8.8
254.07693	1.4
266.11407	6.7
270.12323	1.2
286.12006	0.9
288.13525	1.0
314.10947	0.7
328.48505	0.7
332.12338	0.9
350.13449	1.0
368.14484	4.2
368.19022	0.6
386.15573	100.0
386.20609	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	386.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67094	0.3
70.06612	2.3
72.08163	1.8
84.05643	1.2
87.04461	0.4
87.05602	1.2
91.05444	0.4
92.17850	0.3
97.82799	0.3
103.05479	2.1
107.04965	0.6
116.07155	0.4
120.08106	100.0
121.08443	1.2
124.09517	0.3
125.77689	0.3
131.04938	3.9
138.09142	3.5
149.00543	0.6
149.05997	1.9
150.00841	0.4
163.25787	0.3
166.08635	46.5
171.76808	0.3
176.01601	5.2
177.01883	4.8
178.08643	0.3
180.99489	0.3
192.01056	0.7
209.99266	0.3
220.00507	0.3
221.00755	0.3
223.02493	0.5
238.01646	0.7
239.01927	2.0
252.07642	0.3
254.09036	0.4
254.11514	1.7
281.10141	0.6
315.31058	0.3
340.08362	1.2
343.44003	0.4
368.07455	1.2
370.08691	0.3
386.08560	9.8
386.15097	1.7
386.18619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55424	1.4
75.93723	1.4
79.43378	1.2
86.36132	1.5
91.05466	14.3
126.05431	1.4
133.06462	6.4
135.04433	1.5
161.05991	14.1
176.07199	1.7
177.05453	10.9
186.05487	1.7
205.04951	9.4
218.08130	1.9
252.10181	100.0
253.11060	3.2
254.11690	5.4
278.85486	1.5
282.11237	9.6
288.18198	1.9
296.12787	51.4
306.11362	6.1
308.09540	1.4
322.10959	2.2
340.11819	6.2
368.11353	6.7
386.12344	96.1
408.71378	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	386.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01872	2.4
57.03463	1.6
61.02925	3.0
65.03948	0.5
68.97066	0.4
68.99784	0.4
69.03437	12.2
70.06591	0.8
72.08146	2.2
73.02916	2.0
81.03424	9.5
84.08163	4.8
84.87112	0.5
85.02911	41.1
87.00836	11.6
87.04446	0.4
87.76270	0.4
89.03928	0.5
92.04993	1.1
93.90264	0.5
97.02896	13.4
98.09687	0.5
99.04477	3.9
103.03973	2.1
105.01880	9.0
109.02882	13.1
114.09143	0.5
115.03944	2.1
117.01882	0.5
120.04468	100.0
126.09170	0.7
127.03922	24.6
129.01860	3.8
129.07022	0.7
130.02028	0.5
130.06497	0.7
132.04465	12.7
133.05240	0.6
134.06032	13.4
138.05510	59.8
144.04430	2.7
145.04958	6.3
146.02400	6.0
146.06036	0.9
147.02892	0.9
148.03909	1.2
150.05492	0.9
156.08127	0.8
158.05933	0.9
159.02940	4.6
160.07611	2.4
161.49367	0.5
162.05487	16.5
162.56189	0.5
170.05991	1.0
170.09610	0.7
171.02989	0.8
172.07588	0.7
174.05518	2.2
180.06551	10.5
182.06026	2.9
184.07730	1.6
186.05519	6.1
186.09201	2.2
189.03946	0.9
198.05507	0.9
200.07010	5.8
204.06635	0.8
204.43558	0.5
210.05499	24.0
213.03993	0.9
228.06555	20.8
228.08704	0.8
231.05011	6.0
246.07611	4.9
249.06161	0.5
264.08713	1.8
332.07623	5.2
342.19089	0.6
350.04514	0.8
350.08725	20.0
350.12875	0.9
368.09695	11.7
386.11008	6.1
386.18124	4.0
386.24365	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	385.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34682	1.2
52.14927	1.6
61.16990	1.3
65.60741	1.6
69.07069	3.3
81.07068	2.7
83.08631	2.8
95.08599	2.2
97.10168	3.0
101.00917	3.1
115.85198	1.8
115.86002	1.7
119.01910	36.2
137.02957	8.7
174.61035	1.7
321.22794	2.5
323.24316	13.8
325.25858	2.4
331.24930	13.1
337.21967	2.2
339.23929	12.1
341.25323	7.2
349.26016	13.7
367.26901	9.2
376.73526	2.0
385.28012	100.0
397.71838	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	385.2585
Annotation	Betaenone D
Peak:m/z	Relative Intensity
55.05513	49.5
62.96473	10.2
67.05513	26.3
69.85952	11.8
71.63278	11.4
74.00455	10.3
79.05491	13.3
81.07081	18.4
81.33521	11.9
83.08628	13.5
89.38342	12.5
93.07040	24.8
95.04965	56.6
95.08604	16.3
97.10184	26.3
107.08575	24.2
109.10136	14.5
111.04435	26.6
121.10163	18.9
125.09658	29.5
127.06555	15.3
149.09546	14.9
163.11169	56.3
181.12250	17.4
209.98219	12.2
249.32504	15.6
275.20087	17.2
293.21268	100.0
311.22437	12.6
367.24814	89.2
385.25861	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	385.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67401	1.2
55.01889	2.9
55.05527	23.5
57.03434	7.6
67.05515	21.6
69.03461	4.9
69.07063	7.7
71.08642	12.8
72.42103	1.3
79.05512	18.2
81.03436	10.7
81.07071	23.1
83.04975	10.6
83.08627	26.7
85.02895	1.9
91.05476	7.2
93.07063	16.8
95.04977	23.7
95.08601	7.2
97.06519	3.0
97.10181	52.6
99.04456	1.9
99.08073	8.3
100.07655	1.6
105.07022	2.6
107.04972	2.5
107.08600	24.5
109.06508	3.0
109.10168	10.9
111.04453	23.4
111.08055	9.0
117.07005	6.2
117.75886	1.4
119.08570	9.0
121.10133	14.0
125.05991	2.0
125.09641	38.6
131.08562	6.3
133.10165	2.8
135.08066	7.6
135.11705	15.4
139.11266	2.8
145.10168	10.8
147.11694	3.6
149.09650	12.2
153.09157	7.4
153.12718	6.2
159.11679	2.7
163.11172	21.5
165.12683	3.0
171.10162	10.6
175.11247	2.1
177.12761	2.4
181.12207	6.8
189.11217	17.9
191.10660	1.9
195.13754	12.3
197.05917	1.8
211.13223	1.8
223.13242	3.6
226.65367	1.8
227.12730	6.4
275.20004	19.2
293.21130	79.8
311.22134	11.3
349.23914	2.0
367.24817	43.9
385.20883	3.5
385.25845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.259
Annotation	Betaenone D
Peak:m/z	Relative Intensity
50.32978	2.1
51.46059	1.9
53.05646	1.9
55.01876	4.7
55.05519	25.1
57.03453	3.5
67.05249	1.9
67.05521	33.1
69.03442	4.5
69.07069	11.0
71.04985	3.4
71.08627	16.4
72.08149	2.3
79.05498	24.6
81.03418	10.6
81.07069	33.6
83.04974	13.0
83.08633	41.5
91.05473	12.0
92.04078	2.5
93.07053	31.2
95.04958	39.6
95.08613	18.4
97.06524	12.7
97.10179	43.4
99.04488	2.7
99.08101	11.8
105.07043	9.8
106.05103	2.4
107.04948	6.0
107.08591	35.3
109.06537	4.0
109.10159	12.7
111.04453	26.7
111.08097	3.4
117.07014	5.2
119.08588	15.0
121.06540	2.5
121.10130	11.2
123.08086	4.7
125.09647	36.5
131.08571	11.9
133.10104	12.6
135.08049	15.4
135.11703	15.4
139.11197	2.5
145.10150	14.8
147.11655	3.9
149.09631	11.4
149.13380	2.5
153.09082	5.1
153.12810	5.2
162.46782	2.8
163.11166	38.5
165.12726	2.2
167.10735	2.7
177.12747	6.1
181.12273	6.0
189.11267	19.4
193.12309	5.6
195.13783	3.9
196.42534	2.7
223.13298	5.0
227.12846	5.7
233.26762	2.4
255.19031	3.0
275.20093	31.8
283.15387	3.6
293.21136	100.0
311.22147	5.3
325.14261	3.7
349.23758	8.4
365.96274	2.5
367.24832	83.3
385.13025	11.2
385.25833	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2587
Annotation	Betaenone D
Peak:m/z	Relative Intensity
55.05510	4.3
67.05513	7.6
69.07063	2.4
71.08632	9.6
74.60493	1.0
79.05497	2.2
81.03411	1.5
81.07058	5.5
82.96698	1.0
83.08620	4.3
84.29760	1.0
91.05507	1.7
92.18493	1.1
93.07038	2.0
95.04964	2.0
95.08611	2.1
97.06517	1.3
97.10180	4.4
99.08103	5.0
105.07061	1.4
107.08591	5.7
109.10157	1.1
111.08128	1.5
115.28464	1.1
121.06447	1.3
121.10178	1.2
125.09632	5.3
131.08572	1.5
133.10083	1.3
135.11687	1.9
147.11847	1.2
151.11285	1.4
154.62080	1.0
167.10612	1.9
177.12749	1.7
262.73373	1.0
275.20099	6.1
285.17175	1.5
288.28064	1.1
293.21115	100.0
349.23129	1.3
367.24850	46.6
385.25571	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	385.256
Annotation	Pro Arg Leu
Peak:m/z	Relative Intensity
50.18122	0.3
75.31069	0.3
75.62356	0.4
106.98424	0.4
195.15097	0.4
214.55946	0.4
266.21341	0.4
385.25598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01869	5.0
55.05287	1.5
55.05522	26.1
55.72285	1.0
57.03450	11.2
64.15104	1.1
67.05184	1.1
67.05514	25.1
68.47948	1.1
69.03435	2.5
69.07059	7.8
71.04988	1.5
71.08635	15.1
77.11738	1.2
79.05504	17.7
79.46739	0.9
81.03442	10.1
81.06674	1.5
81.07069	26.1
83.04967	9.5
83.08634	22.7
85.06552	1.6
87.04467	1.3
91.05489	11.9
93.07060	15.5
95.04978	19.1
95.08626	12.7
97.06535	8.5
97.09552	1.9
97.10166	36.1
97.24608	1.3
97.61771	1.1
99.04460	1.5
99.08084	7.7
105.07041	9.4
107.04939	2.4
107.08605	23.5
109.06484	1.6
109.10178	8.0
111.04437	15.0
111.08089	6.7
117.07032	4.3
119.08591	8.3
121.06486	2.2
121.10136	11.4
121.37085	1.2
123.08078	1.6
123.11699	1.4
125.09627	31.6
129.06982	1.4
131.08551	7.9
133.10141	5.2
135.08025	6.8
135.11711	8.0
139.11188	1.9
145.10130	10.5
147.11696	4.9
149.09625	9.2
151.11163	4.1
153.09157	3.9
153.12752	6.9
157.10007	1.8
159.11664	4.3
161.09618	1.9
161.13246	1.5
163.11200	19.2
165.12718	4.6
167.10701	2.0
171.10175	5.8
173.09627	2.2
173.13264	1.2
177.12779	4.6
181.12198	1.7
189.11209	18.5
191.10612	4.6
193.12163	1.6
195.13773	5.3
218.20291	1.2
223.13362	4.7
227.12723	8.6
229.19624	1.3
245.13791	2.1
253.18102	1.7
275.20020	14.4
293.21106	54.7
311.22070	1.9
312.88358	1.3
349.23843	2.4
367.24789	29.2
385.12677	2.4
385.25842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96740	0.3
57.08695	0.4
61.39062	0.3
70.06580	1.5
72.04509	2.4
72.08158	6.4
84.05638	13.3
84.08150	0.4
88.36382	0.4
88.55312	0.4
95.75220	0.3
98.07191	1.6
99.07961	1.6
105.23157	0.4
112.08729	0.9
113.09510	2.0
114.09175	38.1
126.10269	1.5
134.09608	0.5
138.10292	2.7
143.11829	0.9
151.85753	0.4
152.38837	0.4
156.11331	0.5
176.11812	1.4
194.12987	1.7
197.13983	56.8
198.14790	0.6
233.29266	0.5
236.13928	3.8
254.15001	4.6
289.19974	0.5
290.18640	0.8
307.21411	1.9
308.19644	2.8
339.23752	1.4
343.38269	0.4
349.22330	10.1
353.22137	0.7
367.23419	69.4
385.24521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96859	1.5
64.98965	1.8
68.63703	1.7
74.02663	1.8
81.07066	2.0
92.17779	4.1
97.84628	2.1
104.90247	1.8
119.01892	10.6
124.01218	1.8
133.03447	2.5
143.37555	1.9
175.04567	2.3
212.92174	2.1
247.17509	2.5
269.19598	6.9
285.19202	13.4
287.20700	28.1
292.16324	2.0
293.19669	19.4
296.01776	2.1
311.20654	50.8
329.21710	35.2
337.07486	2.1
367.22974	2.9
385.24338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69137	0.6
58.22875	0.7
60.53740	0.7
70.06591	7.0
70.40657	0.7
71.95396	1.1
72.04501	5.3
72.08161	14.4
74.96491	0.8
84.05639	12.0
84.08145	18.7
95.59709	0.9
98.07183	1.3
105.14919	1.0
112.08792	0.9
113.10778	1.9
114.09171	59.3
121.06467	1.2
126.10291	1.0
129.80243	0.8
138.10243	1.6
143.11803	42.2
143.12903	1.7
150.09149	1.1
156.11392	2.9
166.08607	1.7
173.14011	2.0
197.13976	48.7
220.13242	3.1
236.13939	1.3
237.15904	1.0
248.12860	2.1
254.14850	3.5
265.15451	1.7
280.16583	1.0
281.15063	10.0
294.18179	1.2
308.19775	1.7
321.19241	5.0
339.20245	13.8
340.18546	7.9
349.22318	8.0
353.22052	1.5
357.21271	17.8
367.18982	2.2
367.23404	48.3
368.13226	1.7
385.20740	100.0
385.24652	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84436	0.9
57.07080	1.1
66.75600	0.9
74.51707	1.1
85.02912	2.6
91.05470	1.4
94.09560	1.1
97.02858	1.7
105.07023	1.8
115.03920	7.5
123.05569	16.5
124.03960	17.4
137.06012	1.6
142.05013	5.0
150.29932	1.1
161.05986	1.3
167.06970	8.2
168.07825	1.3
170.09622	1.2
178.70842	1.1
180.10202	53.5
193.08600	4.9
198.11284	4.4
205.06110	5.3
205.08705	5.4
206.04546	2.5
223.13318	1.6
253.08177	4.9
254.06479	2.2
255.09749	38.9
256.08179	19.0
262.10797	9.7
310.12936	12.7
311.12369	7.6
312.11160	2.2
312.14413	94.2
368.17047	100.0
385.19751	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	385.1293
Annotation	S-Adenosyl-L-homocysteine
Peak:m/z	Relative Intensity
52.48370	0.4
55.20256	0.4
55.66178	0.3
56.31544	0.4
56.43614	0.4
57.29710	0.4
68.88445	0.4
70.06585	0.6
72.08157	0.6
86.09712	4.2
87.10039	0.9
88.02223	31.1
97.02903	2.9
97.50593	0.4
99.04440	0.8
105.07041	2.1
132.10208	2.6
133.06483	2.7
133.10513	1.7
134.02721	74.1
136.06194	100.0
146.06035	0.5
158.56314	0.5
161.05995	6.0
163.03876	0.5
167.07039	1.9
193.08583	3.5
232.06398	1.0
250.07437	12.4
251.09019	0.6
385.08496	1.0
385.12869	15.1
385.17511	0.8
400.45175	0.4
407.06067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88163	0.2
55.01867	0.2
70.06605	0.7
72.08141	0.7
80.75034	0.2
84.08154	1.7
85.02903	0.8
86.09718	0.2
91.05469	1.3
92.41303	0.2
93.07005	0.2
95.04956	0.5
95.97462	0.2
96.08106	0.2
97.33092	0.3
103.05470	0.9
105.07030	0.4
107.04974	1.6
114.09183	4.6
115.05445	0.4
117.07017	0.9
118.97286	0.2
119.04959	1.2
121.06505	0.4
123.04421	1.1
130.04996	0.4
131.04910	2.1
132.05737	1.5
133.06546	0.4
135.04291	0.2
137.05986	3.5
137.27094	0.2
138.82439	0.2
140.04678	1.2
143.04936	0.4
144.12636	0.2
145.06465	1.6
147.04404	0.5
149.05977	1.1
151.07529	1.4
152.07870	1.0
153.05444	0.4
155.07066	1.5
158.03630	1.8
159.08069	0.2
160.05161	0.5
161.06027	0.5
165.05444	0.4
167.07027	6.3
170.11732	0.9
173.05988	8.0
175.03888	0.8
175.07645	0.3
177.05443	1.0
179.07063	0.3
180.07788	1.3
181.04968	0.4
181.08482	0.3
182.09361	0.9
185.05885	0.4
185.22482	0.2
186.03128	4.3
187.14449	0.9
191.07088	1.6
191.08521	0.2
192.07860	1.9
193.04971	1.3
201.05479	100.0
203.07062	0.5
207.06438	0.4
207.08165	0.4
210.08931	0.3
213.05464	4.4
215.62804	0.2
217.08627	0.4
219.08101	0.4
227.17455	0.3
231.06490	5.0
234.06775	0.3
235.07597	1.2
235.11324	0.2
245.05956	0.2
246.06870	0.3
247.07547	1.2
249.09042	0.3
250.06314	0.3
252.07814	0.2
260.04666	0.3
263.06927	1.5
264.07745	1.4
267.10333	0.3
271.93344	0.2
274.06238	0.5
275.06833	0.9
277.05029	0.3
277.08636	0.3
279.10223	0.2
281.12134	0.4
283.09549	0.3
292.07303	1.3
293.08084	0.5
295.09686	0.3
302.05688	0.3
303.06549	1.0
305.04541	0.8
307.09543	0.8
309.07663	0.3
320.06760	0.8
321.07565	0.2
323.09308	0.3
335.09055	1.7
353.10260	3.1
355.11594	0.3
362.42343	0.2
367.11679	1.5
385.12463	5.3
385.23090	2.0
385.28198	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	385.1285
Annotation	Ophiopogonanone D
Peak:m/z	Relative Intensity
50.97503	1.6
54.06464	1.6
63.67048	1.7
68.99795	3.3
77.02335	2.0
79.05502	3.5
91.05486	13.7
102.04663	2.9
103.05470	4.1
105.07059	3.3
107.04967	18.2
109.06538	2.1
117.03402	3.0
119.04950	3.1
121.02885	3.9
121.06497	4.5
127.95601	2.3
130.04198	4.5
131.04918	16.9
133.06511	2.3
133.70447	1.9
135.04443	4.1
135.08049	4.4
137.05977	71.5
139.07555	3.4
147.04382	14.3
149.06009	10.8
151.07538	13.0
153.05490	3.3
160.89767	2.0
161.06000	8.0
162.06755	25.1
163.03888	22.2
163.07573	7.5
167.07030	30.5
175.07559	7.8
177.05498	13.9
179.07002	2.6
180.04181	8.7
187.07565	11.7
191.07042	5.0
195.06535	14.0
201.05453	2.7
208.07349	24.8
216.04073	2.9
219.07947	4.4
223.06018	77.2
231.06523	13.8
236.08411	2.3
247.07556	8.6
249.09003	4.2
254.06009	2.1
264.07776	5.1
265.08612	4.7
275.07065	2.6
277.08609	2.5
279.10196	11.1
292.07410	5.1
293.08371	2.7
296.94699	2.1
307.09662	17.8
309.11270	3.0
321.07739	2.6
324.09778	3.2
325.10779	4.4
335.09109	3.3
339.12238	4.9
352.09409	2.4
353.10211	100.0
357.13266	2.7
367.11731	12.9
385.12762	79.3
385.17584	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	385.1284
Annotation	Ophiopogonanone D
Peak:m/z	Relative Intensity
52.51210	2.0
67.05515	3.5
68.99788	4.4
79.05516	3.4
90.46947	2.3
91.05479	13.4
102.04688	2.5
103.05453	5.4
103.16083	2.5
105.07059	2.9
107.04978	9.7
109.06562	3.2
114.20289	2.7
117.03366	3.4
130.04166	4.1
131.04965	14.4
133.06598	3.8
135.04396	4.3
137.05984	74.4
147.04437	9.7
149.05972	14.9
151.07538	12.7
161.05939	4.5
162.06773	26.2
163.03906	26.7
167.06992	19.9
170.22629	2.9
175.03809	2.9
177.05489	17.4
180.04115	4.4
187.07524	17.2
192.04114	2.9
195.06549	11.1
201.05499	4.4
207.06613	3.1
208.03551	3.8
208.07303	27.5
216.04277	3.3
219.08101	6.0
223.06020	83.5
231.06519	10.9
247.07570	4.9
264.07794	4.7
276.67572	3.0
279.10199	13.9
292.07498	3.2
293.08047	3.8
307.09726	11.6
309.11328	3.9
335.08929	3.4
353.10175	100.0
367.11725	12.2
385.12814	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1279
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
64.80975	1.0
81.07044	2.0
95.58896	1.1
110.47014	1.0
131.04942	1.2
131.09877	1.3
154.06451	1.1
157.61832	1.2
159.14105	1.1
176.09952	1.2
207.07927	1.5
209.09677	2.6
219.08061	1.4
222.06895	1.9
234.06638	1.1
235.07498	1.7
237.08948	8.1
247.07500	2.4
248.08356	5.0
250.06221	2.4
252.07724	1.5
261.09122	2.1
263.07123	2.6
264.07751	5.1
265.08600	49.6
279.06522	4.6
279.10156	12.8
293.08054	16.0
294.08884	6.3
307.09637	49.5
310.08331	7.3
318.49628	1.3
323.09100	11.8
324.09772	10.8
325.10730	17.7
335.09103	8.5
338.07867	14.8
339.08652	2.4
353.10202	93.6
354.11017	13.1
370.10480	1.4
385.12808	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1282
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
58.17105	0.6
64.32148	0.7
65.63900	0.7
93.03400	0.9
111.04375	1.1
119.04909	0.9
121.02872	1.2
125.05946	1.4
131.04945	1.0
149.02373	0.7
149.71198	0.7
151.03902	1.0
153.05493	3.3
170.09404	0.7
180.09149	0.8
181.04898	0.8
190.07755	0.9
191.08531	0.8
194.07158	0.9
195.08206	0.9
207.07954	1.3
218.07365	1.0
219.08084	1.7
221.09637	1.2
223.07440	1.0
224.08371	0.9
235.07562	4.2
236.08394	1.3
237.09001	1.5
247.07549	2.9
248.08211	1.3
249.09010	3.7
250.06258	1.1
250.09906	1.2
251.06914	3.3
252.07813	3.1
253.08652	1.5
261.09055	1.4
263.07025	2.8
264.07867	4.3
265.08627	6.8
267.10129	4.2
268.07495	0.8
276.07837	1.4
277.08615	1.7
278.09146	1.5
279.10077	6.0
280.07336	1.3
281.08231	1.8
282.08951	1.1
292.07220	0.9
293.08105	1.5
295.09723	5.5
297.11285	0.9
307.09610	20.0
309.11221	1.6
323.09143	6.5
325.10492	5.6
337.10815	1.0
338.11374	1.1
339.12262	1.4
343.11746	0.8
353.10236	4.4
355.11905	5.1
357.13409	2.9
367.11819	1.5
385.12802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1284
Annotation	Gliocladin C
Peak:m/z	Relative Intensity
55.05512	4.8
57.03452	4.7
67.05497	14.9
76.03682	3.1
79.05521	3.9
79.35136	3.5
81.07059	7.7
83.08643	5.1
92.18492	4.9
93.07016	6.4
95.04976	6.2
95.08621	7.0
97.10149	5.3
98.97583	7.3
104.74432	3.6
107.08576	3.6
109.10162	7.8
111.04491	5.9
125.09625	6.2
133.02206	3.6
134.99062	3.3
160.07552	32.9
163.03885	20.5
163.11189	6.2
186.09129	93.1
187.09857	35.5
193.05064	4.3
201.05328	4.8
204.03291	4.6
206.15370	8.1
218.14125	32.4
223.18076	19.6
236.08403	3.9
249.09088	4.3
253.08797	3.5
265.08615	4.6
267.10114	4.5
275.20105	4.9
293.21204	19.5
307.09650	21.7
311.90442	3.6
325.10788	5.0
367.24731	22.4
385.12408	100.0
385.25143	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
58.95132	0.4
67.05513	0.8
70.03056	0.4
72.31986	0.5
77.48479	0.5
78.86475	0.5
79.05499	0.6
81.07059	1.8
90.17706	0.4
93.07049	1.0
95.04967	0.5
95.08605	1.0
97.06535	0.4
105.07055	0.7
107.04999	0.5
107.08595	0.9
109.10178	0.7
111.07990	0.5
112.48069	0.4
119.08569	2.2
121.10123	1.0
131.08540	1.0
133.10132	1.0
135.11693	1.1
135.31276	0.4
145.10126	0.7
157.10179	0.5
159.11699	1.0
163.36057	0.4
165.09135	0.7
173.13284	0.6
173.17525	0.4
185.13258	0.5
186.09145	0.5
187.09726	0.7
187.14790	0.8
194.07323	0.8
195.08089	0.5
199.14828	0.6
201.16289	0.6
207.08136	0.8
209.06084	0.5
209.09598	1.7
218.07251	0.5
219.08055	0.9
220.08827	0.8
221.06024	0.5
222.06767	1.1
231.07916	0.6
235.07526	3.0
236.08318	1.5
237.09123	7.9
238.09868	0.5
244.06610	0.4
247.07526	3.9
248.08353	4.0
249.09059	0.8
250.06087	3.2
251.07037	2.4
252.07837	0.5
261.09036	2.2
262.09933	1.1
263.06989	3.7
263.10623	1.0
264.07764	4.8
265.08591	44.3
266.09616	0.6
275.20111	0.8
277.08670	0.6
278.05597	0.7
279.06543	4.0
279.10141	14.0
280.07306	0.8
281.07928	0.5
282.08813	0.6
292.07266	1.8
293.08121	15.1
294.08902	5.4
295.09662	2.1
297.11096	0.9
307.09647	45.0
309.11154	1.0
310.08310	6.1
311.09058	0.5
323.09146	14.4
324.09946	11.6
325.10684	17.1
327.08578	1.0
335.09152	8.9
338.07864	12.9
339.08603	6.7
352.09360	0.7
353.10211	85.6
354.10986	11.0
355.11673	0.6
367.25122	1.0
385.12799	100.0
385.27966	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	385.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82542	0.5
70.06592	1.4
72.08138	2.2
72.93794	4.3
81.03418	0.7
90.94812	0.7
91.05483	4.8
93.07096	0.6
95.04950	0.6
97.92651	0.5
101.96402	0.6
103.05455	3.1
115.97957	2.6
120.08107	50.4
122.70646	0.6
143.97380	0.6
149.00507	18.0
150.98428	2.6
162.98439	0.9
163.03993	0.9
165.00018	7.5
166.08583	0.9
166.97939	1.0
172.21307	0.5
176.01587	100.0
178.03107	0.8
178.97920	1.3
180.99434	4.1
189.99432	3.8
190.97974	2.6
192.01057	16.8
192.99580	0.7
194.02637	0.8
194.97342	2.3
208.00563	2.2
220.00549	10.7
222.02133	12.8
232.02829	1.3
237.13159	0.7
238.01605	26.2
238.03864	1.1
252.07242	0.6
253.07501	1.1
282.00632	0.7
294.03067	0.8
321.06894	4.7
323.08264	1.9
339.07861	12.3
367.07407	14.6
367.20004	0.7
385.08438	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	385.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85776	1.5
62.35009	1.7
68.65894	1.6
94.50336	1.8
95.68878	1.9
98.97587	11.6
101.00934	2.2
116.98655	2.1
119.01923	6.8
137.99216	1.8
219.01955	2.7
240.95209	2.6
243.01939	16.1
256.96600	2.4
258.96643	2.8
261.00201	3.5
261.03064	100.0
262.03113	2.8
279.00546	1.7
282.97156	2.2
283.00064	3.8
284.00107	6.8
285.00052	1.8
286.99518	2.5
301.01132	3.1
302.01160	3.5
344.04016	1.7
350.42404	2.1
367.02292	3.0
370.93591	4.2
373.46268	3.1
379.93594	6.8
385.03256	24.5
403.04297	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	384.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93250	0.3
54.06147	0.3
57.06829	0.4
57.07086	5.6
72.08145	0.4
72.25114	0.3
92.17852	0.6
97.06508	0.5
105.06999	0.7
115.63725	0.4
117.52051	0.4
119.08575	2.5
121.06501	0.5
121.10150	7.6
133.06548	0.5
133.10120	3.3
137.05989	1.7
138.54446	0.3
147.10619	0.6
147.11699	9.8
151.11147	0.7
158.00093	0.4
162.06371	0.5
163.11140	0.7
175.11186	12.9
177.12630	0.7
192.10214	0.4
200.07841	0.5
212.23784	3.5
232.08372	0.8
260.07831	0.6
261.24506	0.4
283.16934	100.0
292.10547	1.7
303.47491	0.4
307.76151	0.5
324.13113	0.6
339.23203	66.2
366.33762	0.7
384.25119	1.7
384.29156	1.6
384.34705	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	384.29
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	4.1
61.46592	0.9
66.82630	0.8
70.51041	0.8
79.24554	0.8
87.99191	0.9
96.82992	1.0
97.55730	1.0
119.08543	1.7
121.10174	7.3
133.10147	4.7
147.11697	9.8
173.02919	1.0
175.11165	15.2
181.66762	1.1
249.86472	1.0
283.16928	100.0
339.23196	59.3
339.27292	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	384.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06488	0.2
55.05520	0.4
59.05007	0.5
60.97165	0.3
66.45443	0.3
69.03442	0.7
70.06593	1.4
71.05035	0.4
71.08638	12.0
72.08152	2.0
72.65948	0.3
81.03388	0.5
84.08150	0.6
85.02920	3.2
86.06048	0.4
87.00921	0.3
88.11273	100.0
90.05585	0.6
97.02892	1.5
98.97578	0.4
99.04438	0.6
101.06025	2.0
105.01882	1.4
109.02873	0.7
110.07181	0.7
117.09090	0.3
118.06545	1.9
119.07092	0.6
121.28181	0.3
127.03932	1.6
145.04935	0.5
148.03911	0.5
152.94072	0.3
163.03883	2.4
164.04243	3.2
192.06601	0.4
194.04498	14.6
204.03789	0.8
206.08508	0.4
213.00816	0.4
222.03966	38.5
229.13461	0.5
282.51999	0.4
291.83005	0.4
322.02448	0.4
343.03311	1.2
349.11630	0.5
351.43192	0.3
384.09344	7.3
384.13428	2.0
384.18280	2.1
384.26166	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	384.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
118.81564	1.1
143.50998	1.1
149.68593	1.0
160.07567	37.4
161.44386	1.2
174.09198	5.4
182.98578	1.0
183.81644	1.0
186.09152	100.0
187.09952	31.0
202.11092	2.5
212.00151	1.1
214.12271	5.3
215.11789	19.7
217.13306	7.8
218.14122	26.6
241.32910	1.1
243.08907	1.1
245.84686	1.1
346.52234	1.2
384.24170	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93788	0.3
53.11862	0.3
56.64294	0.3
58.06590	1.5
62.22289	0.3
63.71230	0.3
64.26780	0.3
81.44016	0.3
82.06573	0.4
93.48217	0.3
136.56873	0.5
157.08159	0.4
160.07581	37.4
161.08383	1.8
170.09595	1.5
174.09119	3.8
176.10707	0.6
186.09146	100.0
187.09924	29.4
188.10675	0.6
202.11086	2.8
203.11797	2.5
215.11768	2.3
217.13338	9.6
218.14146	26.9
233.88988	0.4
236.76187	0.4
384.24072	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	384.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74770	0.4
58.06591	1.2
64.12914	0.5
68.80749	0.5
70.06582	0.5
70.96910	0.5
79.83140	0.5
81.57847	0.6
84.41975	0.5
96.08140	1.2
108.08149	1.5
113.02532	0.5
114.09193	0.8
122.09621	0.6
144.08026	1.3
148.60431	0.6
160.07567	39.1
161.08371	1.0
170.09633	3.2
174.09140	7.3
175.09970	0.6
176.10704	1.3
184.07547	0.8
186.09140	100.0
187.09927	26.1
188.10597	0.7
199.08438	0.6
199.12428	0.5
200.13071	2.7
201.13809	0.5
202.11024	4.6
203.11818	2.6
214.12270	18.5
215.11786	63.0
217.13379	9.7
218.14133	36.9
242.11652	1.0
257.16528	0.9
271.17963	0.8
272.18771	2.2
285.19733	0.6
384.15576	1.8
384.24057	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69713	0.4
58.06615	0.9
59.64179	0.4
60.78241	0.4
69.07067	0.6
86.50343	0.4
96.08135	1.7
108.08154	0.7
113.10744	0.9
114.09171	14.9
130.73212	0.5
160.07584	43.9
161.08334	2.0
170.09659	2.0
173.08365	0.6
174.09119	5.4
176.10768	1.9
186.09151	100.0
187.09932	26.7
188.10803	0.6
199.08585	0.9
200.09352	0.6
200.63574	0.4
202.10970	3.9
203.11696	3.0
209.16557	0.8
214.12283	10.8
215.11804	45.3
217.13362	11.1
218.14146	34.8
220.67836	0.4
227.17529	0.5
228.13893	0.5
228.15926	0.8
242.11742	0.5
257.16476	0.7
272.18961	0.7
322.24677	0.6
361.05142	0.5
383.95526	0.7
384.24100	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83052	0.2
58.06596	0.6
70.58993	0.3
75.89767	0.3
78.05347	0.3
83.24273	0.3
87.04465	1.2
99.60909	0.3
100.07624	0.6
114.09157	2.3
142.15819	0.3
144.08087	0.3
153.13451	0.3
160.07581	40.5
161.08345	1.4
170.09633	1.5
174.09050	3.1
175.09891	0.4
176.10782	0.6
186.09149	100.0
187.09932	26.9
188.10709	0.6
200.13107	1.2
202.10962	2.8
203.11809	3.1
215.11871	1.2
217.13354	11.3
218.14153	25.3
222.14658	0.3
251.11830	0.3
285.19629	0.3
294.48303	0.3
384.15729	1.4
384.24084	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08935	0.2
55.69564	0.2
58.06596	1.4
73.63422	0.3
75.78705	0.3
89.80004	0.3
92.06517	0.3
107.04092	0.3
116.33244	0.2
122.57319	0.3
130.14377	0.3
160.07578	39.1
161.08365	1.4
169.55446	0.3
170.09660	1.4
174.09143	3.3
177.05569	0.3
186.09151	100.0
187.09924	28.5
188.10643	0.4
202.10954	2.4
203.11818	2.5
215.11826	3.0
217.13374	9.3
218.14142	24.1
285.19739	0.5
384.24081	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	384.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35739	0.4
56.25452	0.4
56.79987	0.4
58.06613	1.7
62.04070	0.4
89.03907	0.6
92.64919	0.5
99.45780	0.5
108.08111	0.8
117.05712	0.5
132.23416	0.5
136.30339	0.5
160.07578	41.8
161.08334	1.0
167.50134	0.5
170.09639	2.4
173.08353	0.8
174.09148	5.2
176.10710	1.1
186.09152	100.0
187.09932	30.6
188.10851	0.6
189.11450	0.7
199.08653	0.7
202.11049	3.2
203.11760	2.6
214.12262	11.0
215.11800	42.1
217.13373	9.8
218.14154	34.2
228.13875	1.1
272.18866	1.9
279.83408	0.5
362.50940	0.5
384.24072	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64528	0.4
53.27280	0.4
56.05042	0.5
73.40565	0.5
83.20265	0.4
84.01090	0.5
87.38345	0.4
89.48780	0.4
91.05512	0.7
101.07361	0.5
107.04956	2.0
119.08572	0.9
133.06624	0.5
137.98634	0.5
144.08084	2.5
147.04411	9.5
147.08046	7.1
157.06499	0.5
160.05225	0.5
170.09644	8.2
171.10417	2.2
173.05992	1.0
175.07574	7.0
178.58057	0.5
179.03342	0.9
189.01840	0.6
189.05424	2.0
201.05505	6.6
201.13972	0.6
202.14693	2.6
203.07014	0.6
207.06488	2.0
218.74460	0.5
219.06543	100.0
221.08102	0.9
229.04953	17.4
236.09174	2.7
238.10881	1.0
246.07639	23.5
247.06027	28.8
264.08676	79.3
290.59357	0.5
293.11691	0.6
321.11200	2.6
325.10580	1.1
384.14462	48.9
384.22083	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	384.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43200	0.2
60.35695	0.2
69.68981	0.2
73.10888	0.2
85.02911	4.7
87.00797	0.2
91.05482	5.0
95.04974	2.3
102.05553	0.3
102.93880	0.2
107.04999	0.2
110.89462	0.2
114.14838	0.2
116.43987	0.2
119.04948	7.7
123.08069	0.2
130.05014	18.8
131.03403	1.2
136.05205	1.0
137.05954	0.8
141.09090	0.4
146.45010	0.2
151.07553	100.0
159.10202	0.3
168.10210	4.4
189.67070	0.2
204.14491	0.2
205.10637	0.3
234.11307	1.8
252.12321	7.1
280.11813	37.6
298.12845	9.2
366.12070	1.8
384.12711	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	384.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.4
60.18727	0.3
69.03429	0.6
70.06583	0.7
72.08150	0.4
84.04530	0.3
84.08127	0.4
85.02906	5.7
91.05482	5.7
94.07365	0.3
95.04967	3.4
97.02875	0.3
102.05562	1.0
103.03965	0.4
109.02920	0.3
109.10144	0.3
119.04930	7.9
119.08578	0.6
120.08965	0.3
123.08080	0.5
127.03934	0.6
130.05008	21.7
131.03433	0.6
136.05208	0.7
137.05974	1.2
143.08560	0.4
147.08102	0.5
148.08459	0.6
151.07545	100.0
157.05995	0.3
161.13277	0.7
161.58382	0.3
162.13611	1.1
168.10191	5.5
171.11476	0.4
177.05472	0.3
197.83319	0.3
203.14322	0.6
203.98785	0.4
204.14662	1.8
221.08165	0.4
221.15286	0.6
222.15753	1.4
234.11183	2.1
243.75142	0.3
252.12285	6.8
280.11807	40.4
298.12860	9.0
366.11929	2.1
384.12393	5.7
384.20975	2.6
408.90225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41298	0.2
69.06234	0.2
74.69047	0.2
85.02905	4.6
91.05486	4.5
95.04993	2.6
101.99902	0.2
102.05534	0.5
115.73887	0.3
119.04950	7.2
123.08090	0.5
127.18268	0.3
127.75549	0.3
130.05003	18.7
131.03413	1.2
136.05190	0.6
137.06042	0.4
151.07547	100.0
168.10201	4.5
170.32779	0.3
173.81232	0.4
234.11212	1.9
252.12321	5.8
280.11801	37.2
298.12823	9.6
366.11905	2.1
384.12836	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	384.1151
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
50.19003	0.3
55.01859	0.5
57.03430	2.2
68.14146	0.4
69.03441	0.5
71.01352	0.4
75.87716	0.3
84.37964	0.3
85.02883	1.5
90.05556	0.6
115.03938	0.3
123.05418	0.3
136.06184	14.5
148.06183	0.8
162.07747	20.9
171.16420	0.3
188.05685	9.5
192.05171	13.3
206.06749	10.0
216.05156	0.4
234.06209	16.8
252.07266	100.0
266.11746	0.4
384.11496	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	384.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.1
55.05525	0.2
57.03435	0.2
61.02929	0.5
63.77230	0.1
64.88885	0.1
69.03436	1.0
69.09033	0.1
70.06590	0.5
72.08169	0.9
73.02940	0.2
73.76616	0.1
79.87331	0.1
81.03415	0.7
84.04491	0.1
84.08143	0.5
85.02914	3.0
87.04478	0.2
91.03958	0.2
97.02915	1.3
99.04479	0.2
101.06021	0.5
105.01881	0.1
109.02874	0.6
110.07143	0.2
119.07086	0.1
120.04503	0.2
127.03946	0.8
129.08177	0.1
145.05020	0.2
147.04457	0.1
148.03961	2.0
151.07553	0.6
152.05624	0.2
163.03889	0.6
164.04222	0.3
176.03397	0.2
194.04501	39.3
222.03984	100.0
237.27519	0.1
263.13852	0.2
279.11652	0.2
280.11890	0.2
384.09241	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	384.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63012	0.2
61.02927	0.4
64.81119	0.2
67.62930	0.2
69.03423	1.1
71.35436	0.2
74.42651	0.2
81.03403	0.2
83.77645	0.3
85.02927	2.8
88.11286	1.8
97.02902	1.0
115.57870	0.3
122.17240	0.2
126.14391	0.2
127.03899	0.4
145.04890	0.2
148.03973	2.2
176.03320	0.4
194.04498	37.6
222.03984	100.0
229.98103	0.2
242.53601	0.3
263.03839	0.3
263.06915	0.2
384.09262	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	384.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
78.25532	1.0
99.38434	1.2
111.16514	1.2
121.21429	1.2
125.99123	1.2
167.20792	1.2
384.08212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.2
66.18266	2.3
67.05498	9.6
69.07066	4.4
71.08627	12.3
72.25807	2.5
73.70374	2.2
79.05496	3.7
81.07085	20.2
83.04990	2.5
83.08624	4.4
93.07046	5.7
95.04982	2.7
95.08616	10.6
97.06545	2.6
97.10207	3.1
99.08107	3.6
105.07029	3.2
107.08574	9.0
109.06539	24.7
109.10171	4.4
119.08613	3.1
121.10172	4.0
125.44617	2.5
133.10167	3.5
135.11679	2.8
147.11612	3.0
156.46130	2.6
165.12767	57.0
173.13443	2.2
235.16951	14.3
291.23181	83.4
383.27863	100.0
383.32684	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	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	6.6
58.20734	7.5
63.86803	6.5
64.82142	7.1
67.05532	7.5
85.17434	7.6
93.07047	34.6
95.04945	9.2
95.08605	16.0
101.12810	8.7
105.07039	17.4
107.08560	9.4
118.87349	9.1
119.08554	30.5
120.41770	8.4
121.10076	13.1
133.10129	13.0
135.08044	12.4
147.08047	11.9
157.10172	12.1
165.09142	17.5
221.15440	43.6
328.64468	8.0
354.24738	8.3
383.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56397	9.2
67.05499	48.5
69.18089	10.5
69.22884	10.0
70.03213	9.7
72.18830	10.4
77.62711	11.2
80.23544	10.4
81.07056	26.3
87.10079	10.8
93.07049	55.7
95.08606	14.3
105.07030	18.8
109.10140	83.9
109.71545	11.0
121.10124	13.5
123.08102	13.0
133.10216	14.3
145.10162	14.6
149.09601	13.9
151.07564	18.8
157.10167	15.6
221.15202	39.0
246.75885	13.4
383.25342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.47988	6.3
55.18124	6.7
62.43516	6.9
81.07041	17.5
93.07059	20.2
95.04969	9.2
95.08624	19.0
105.07037	17.0
107.08582	10.4
119.08595	38.3
121.10173	10.7
123.08057	12.4
135.08006	8.7
142.98103	10.8
145.10147	35.4
147.08028	15.4
151.07501	13.4
165.09142	15.6
173.14619	9.0
189.12616	8.8
208.32370	8.7
209.15480	8.8
221.15454	20.0
383.21176	15.3
383.25821	100.0
383.30328	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43350	3.7
54.40889	3.8
55.05519	7.2
55.88446	4.2
57.03437	7.1
63.97510	4.2
64.90508	4.9
67.05506	31.0
79.05495	25.8
81.07069	10.4
83.04945	6.0
85.99807	4.3
91.05501	7.4
93.07030	18.6
95.04972	4.7
95.08600	10.3
97.06507	8.3
107.04942	23.2
107.08582	6.3
109.10181	7.3
111.04433	19.1
111.08064	5.0
119.08588	8.3
121.10131	31.4
131.04951	4.9
135.11719	20.1
143.30812	5.1
145.10123	31.8
153.12746	6.2
163.11183	32.8
171.10518	5.5
173.09596	18.3
191.10710	19.9
221.35783	5.0
227.12848	7.1
243.75136	5.0
261.77066	5.3
278.03091	5.0
383.24390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34929	3.0
67.05515	7.5
72.64525	3.6
81.07060	4.0
88.85042	3.4
105.07029	5.5
109.10166	9.1
111.04439	14.7
120.80923	3.5
121.10134	4.9
125.06007	6.1
137.05981	100.0
161.09615	5.3
174.57855	3.9
175.11275	5.0
203.17970	3.7
203.49496	4.1
270.74707	3.9
277.18048	50.0
295.18927	5.0
320.26410	3.6
326.99405	3.7
383.24246	59.9
399.13971	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	383.2433
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
54.91364	1.4
55.01862	4.1
55.05529	23.1
57.03439	14.1
65.46914	1.5
67.05512	33.2
69.03413	3.8
69.07074	17.7
70.06591	3.6
71.04981	7.7
71.08595	2.2
77.57732	1.8
79.05508	26.5
81.03436	14.2
81.06612	2.7
81.07066	69.2
83.04998	14.0
83.08634	20.8
91.05483	15.2
93.07052	19.6
95.04939	11.7
95.08606	19.6
97.06503	9.4
97.09667	2.6
97.10186	41.6
99.04476	2.9
99.08108	3.7
105.07016	11.6
105.60513	1.9
107.04958	3.0
107.08598	25.9
109.06490	2.7
109.10197	18.4
111.04452	20.7
111.08054	12.0
117.07005	10.8
119.08582	18.2
121.06471	9.8
121.10128	16.1
123.08057	36.5
125.09621	35.7
131.08534	9.8
133.06427	2.2
133.10098	8.6
135.08044	11.5
135.10735	1.7
135.11691	14.1
137.09612	11.3
137.92825	1.9
145.10126	15.9
147.08005	7.4
147.11668	7.5
149.09581	8.9
153.09152	2.2
153.12744	11.2
157.10036	2.5
159.11649	2.8
161.13248	2.0
163.11189	20.0
165.09108	3.8
171.10138	7.1
173.71727	1.7
175.11209	2.6
181.12202	10.4
189.11209	25.1
191.10629	4.0
193.12241	7.4
199.07458	2.3
209.11691	2.1
223.13301	2.9
227.12787	8.0
235.53351	1.9
249.14784	2.0
273.18469	15.1
276.07718	2.2
291.10144	2.7
291.19568	61.7
309.20514	7.4
323.12717	8.5
347.22372	2.7
365.23145	36.9
383.14673	9.2
383.24185	100.0
383.28439	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
50.81529	1.4
53.03953	1.9
55.01876	6.1
55.05527	24.4
57.03430	9.7
65.03943	1.6
67.05513	37.0
68.53477	1.7
69.03409	3.2
69.07074	14.9
71.04971	1.8
71.08604	2.1
75.14864	1.7
76.53980	1.6
79.05505	29.7
80.86751	1.6
81.03420	7.9
81.06609	3.1
81.07065	90.4
83.04985	7.4
83.08634	21.5
85.02888	8.7
85.06552	1.6
87.38196	1.7
91.05494	14.0
93.07055	29.6
95.04967	19.7
95.08613	24.2
97.06512	13.4
97.10175	42.6
99.04449	2.7
99.08098	2.3
102.60241	1.8
105.07031	11.7
107.04946	6.9
107.08607	31.3
109.06532	7.6
109.10150	18.4
111.04424	26.0
111.08086	7.8
117.07026	6.5
119.08588	20.6
121.06506	6.7
121.10136	18.5
123.08064	42.7
125.09619	39.3
129.06987	4.2
131.08566	17.3
133.10146	10.0
135.08080	7.6
135.11684	15.3
137.09625	13.0
139.11140	2.5
143.08540	2.0
145.10121	17.7
147.08023	11.3
147.11661	9.4
149.09604	8.7
153.09047	4.2
153.12784	13.4
157.10181	7.0
159.11723	3.7
161.09601	1.9
163.11205	28.0
165.09119	8.8
167.07047	2.3
171.10129	2.6
171.11658	3.0
173.09596	6.4
173.13228	1.9
175.11163	2.5
181.12256	10.4
189.11227	20.0
191.10695	8.2
193.12198	7.5
223.13258	6.9
227.12714	12.3
251.16353	2.0
255.17508	2.9
264.42563	1.9
273.18497	29.3
283.15445	8.2
287.74557	1.9
291.19540	80.3
309.20679	7.0
328.68448	2.0
347.22330	2.1
354.74789	1.8
355.47656	1.9
365.23206	73.7
376.98105	1.8
383.15137	12.6
383.24271	100.0
383.29199	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	383.2072
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
53.03957	0.9
55.01886	1.6
55.05522	31.1
57.03433	3.3
57.28923	0.6
59.05020	0.9
61.02940	6.6
62.88426	0.6
67.05513	8.3
68.65440	0.7
69.03439	28.5
69.06747	0.6
69.07085	6.5
70.06593	1.8
71.04993	1.5
72.08150	2.9
73.02924	3.9
79.05499	1.7
79.99463	0.8
81.03432	7.9
81.07057	14.9
83.04989	13.5
83.08617	0.9
85.02416	1.6
85.02913	41.9
87.04462	6.1
88.32137	0.7
91.03984	1.6
91.05482	4.9
93.07047	9.2
93.71017	0.8
95.04979	9.9
95.08603	4.4
97.02898	17.8
97.06531	3.3
99.04438	5.4
105.07047	9.2
107.04926	1.0
107.08618	6.9
109.02900	5.7
109.06528	13.7
109.10157	4.3
111.08103	1.3
114.09188	0.9
115.04028	0.8
117.07043	1.0
119.04978	1.2
119.08595	32.9
121.06517	0.9
121.10150	12.8
123.04390	1.0
123.08046	3.2
127.03903	9.3
133.10141	42.5
135.08055	1.6
135.11646	1.0
137.05946	1.0
137.09628	3.9
143.08583	1.8
145.04993	3.4
145.10155	7.2
147.08052	39.5
147.11694	3.9
151.07530	0.9
151.11166	5.0
157.10136	3.3
159.11674	6.4
161.08392	1.3
161.09631	17.3
161.13260	72.1
163.03874	5.5
163.07530	1.1
165.09106	16.4
167.07036	1.4
170.10924	6.5
173.13316	1.2
175.11191	1.2
175.14822	22.9
185.13226	7.1
188.11996	7.9
191.14316	3.9
203.14320	100.0
205.15987	0.9
221.15373	57.7
237.05437	3.2
324.15729	0.9
347.30771	0.7
383.20822	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	383.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76681	1.2
53.03947	1.5
55.01871	1.1
55.05524	12.6
57.03429	1.2
57.07082	1.2
60.72413	1.2
60.94587	1.2
61.02933	3.1
67.05502	5.3
68.34377	1.2
69.03436	15.6
69.07053	6.8
71.04993	2.6
72.08158	2.5
73.02916	2.4
81.03425	5.7
81.07050	9.7
83.05003	14.6
83.08630	1.6
85.02909	43.7
87.04463	2.0
91.05469	5.1
92.18404	1.6
93.07040	11.7
95.04957	6.3
95.08598	6.0
95.59679	1.4
97.02887	15.1
97.06525	2.6
99.04461	2.1
105.07030	14.6
107.04971	1.7
107.08595	8.2
109.02881	6.2
109.06541	12.6
109.10149	11.7
111.08058	2.8
117.07050	1.4
119.08580	30.0
121.06537	1.7
121.10149	11.7
123.08057	1.7
127.03890	10.3
131.08563	7.8
133.06473	1.9
133.10120	34.6
135.11710	5.8
137.09639	7.8
143.08546	6.6
145.04985	6.4
145.10144	16.6
147.08046	34.4
147.11662	8.5
149.09641	1.6
157.10118	7.4
159.11766	10.1
161.09584	13.5
161.13248	46.4
163.11147	4.7
164.07086	12.2
165.09093	6.1
170.09665	4.4
170.10933	6.2
172.12489	1.4
173.13249	5.9
175.11160	2.2
175.14804	26.6
185.13220	19.7
187.14812	11.5
188.11882	1.9
191.14308	1.8
200.08388	1.3
201.09157	1.7
203.14314	89.1
205.15976	2.0
207.13815	2.2
208.06070	1.9
221.15367	66.0
221.17570	2.3
229.08653	5.2
231.08014	2.1
233.09659	2.5
234.10341	1.7
247.07616	5.9
248.08411	7.7
250.63129	1.2
259.07523	2.9
261.09039	1.8
262.09909	1.8
263.10727	6.4
265.08521	2.6
275.06848	1.9
276.07883	6.3
277.08392	4.6
279.10104	1.7
290.09360	4.8
291.10138	13.1
293.07990	9.3
305.08252	1.9
305.11551	1.9
306.08884	1.4
307.09677	6.8
308.10428	6.2
319.09576	5.7
321.07565	6.7
323.12747	3.1
335.08929	1.6
336.09958	1.6
337.10638	14.2
350.11456	1.8
351.12268	13.6
352.13107	2.5
353.10297	15.0
368.12485	10.6
382.72226	1.7
383.14896	100.0
383.20667	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97244	0.6
56.37900	0.6
57.03439	0.8
57.09608	0.6
60.04520	1.3
61.02911	1.1
70.06608	7.7
72.07812	1.0
72.08161	18.8
73.02914	8.2
84.08132	3.8
86.06057	1.0
86.09697	0.8
88.28826	0.7
89.10783	1.2
95.33150	0.7
96.04482	1.1
98.06027	1.1
110.07130	3.6
114.10277	1.4
117.03452	0.9
119.52486	0.9
123.04453	1.3
135.04410	3.5
137.06001	0.8
145.02780	4.3
150.09132	6.6
156.07689	3.1
163.03899	100.0
167.11774	2.9
174.13039	0.8
177.05405	0.8
230.73103	0.8
234.11206	4.5
235.05939	1.1
251.13750	1.2
329.14975	11.8
347.15857	0.8
348.14432	1.1
365.17163	1.3
366.15344	3.2
382.69968	1.0
383.18057	47.9
383.28278	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	383.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.5
59.30794	0.4
59.65291	0.4
60.88281	0.4
70.06590	1.7
72.08139	0.5
81.07058	0.4
89.61124	0.5
92.52750	0.4
137.02318	0.5
160.07579	37.8
161.08244	0.6
172.12402	0.5
174.09171	0.9
186.09145	100.0
187.09930	38.7
198.09145	0.6
202.11009	0.6
203.11841	0.5
217.13332	5.9
218.14143	33.4
254.15495	0.6
261.55386	0.5
267.06320	0.6
285.19644	5.5
295.06006	0.6
303.20624	1.8
380.23560	0.5
383.17297	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03431	3.9
59.05010	100.0
60.04522	1.2
61.02923	1.3
69.03432	9.3
70.06593	8.5
71.04981	1.2
72.08159	5.0
73.02923	3.1
81.03439	10.5
84.04546	1.0
84.08157	1.7
85.02911	29.0
86.09700	3.2
87.00835	10.7
87.04481	1.3
88.03988	1.0
95.06095	7.3
96.06453	1.9
97.02898	8.2
98.06067	1.0
99.04447	4.0
99.08113	1.6
104.07159	1.0
104.13133	0.8
105.01862	9.9
109.02878	15.8
110.07188	1.8
116.07123	1.5
117.09126	30.0
117.09907	1.5
120.08118	1.4
127.03920	21.3
130.05002	1.4
135.10173	25.6
137.05992	1.0
145.04956	4.2
159.02852	1.5
161.05975	1.1
163.03922	7.7
166.08638	1.0
167.07039	1.9
168.06529	3.9
169.06839	0.9
186.06699	0.8
189.09018	1.0
192.52960	0.7
197.02968	1.3
201.09050	1.2
213.03908	1.2
213.12268	3.8
219.08063	1.0
221.02971	1.7
225.11295	1.4
229.08624	1.4
231.04971	7.2
231.08029	1.7
233.02997	0.9
234.10382	0.8
239.04062	1.7
245.09531	1.0
247.07599	3.0
248.08334	1.7
249.05891	1.1
251.83342	0.8
262.09851	1.3
263.10675	3.3
265.05679	0.9
272.31241	0.9
275.07034	1.7
276.07776	3.4
277.08533	1.1
279.10358	0.9
280.17380	3.7
289.08670	1.1
290.09625	1.4
291.07043	0.9
291.10080	5.7
293.08154	4.5
305.11447	3.0
307.09625	3.8
308.10480	2.9
319.09726	1.8
321.07672	3.1
321.11078	1.1
323.06125	18.6
323.12747	3.1
325.10577	1.1
337.10812	6.9
339.24680	4.3
350.11554	1.6
351.12289	6.4
353.10333	8.1
368.12640	4.7
383.14886	50.0
383.19012	14.1
383.23151	2.1
383.28088	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	383.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
69.07086	1.1
70.27175	1.2
72.08151	1.8
81.07085	1.5
93.06998	1.3
122.78795	1.1
127.01403	1.1
137.06000	2.3
163.07555	2.0
167.07108	1.4
185.08220	1.3
191.07039	1.3
202.07755	1.7
203.08540	8.5
203.10330	1.1
211.74161	1.3
217.12219	1.4
220.08876	1.7
222.48589	1.1
231.08093	15.0
232.08868	6.1
247.09727	1.9
248.08311	19.2
257.11823	1.6
259.07532	4.3
260.08344	6.1
263.10663	20.0
263.31366	1.2
265.08664	2.6
276.07843	15.0
277.08655	7.2
279.10178	1.5
280.10986	4.8
291.10187	39.4
292.10983	2.4
293.08093	19.8
305.11914	1.6
307.09802	2.2
308.10510	9.7
323.12787	100.0
370.45410	1.1
383.17218	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	383.1495
Annotation	Desmodin
Peak:m/z	Relative Intensity
52.18008	1.2
55.05484	1.2
57.03463	1.7
61.58363	1.3
67.05518	1.7
70.82567	1.4
71.08630	1.6
72.08132	1.8
78.77113	1.7
79.05515	1.6
81.07043	3.3
83.08611	2.3
87.19003	1.6
91.05470	2.6
93.07016	2.4
104.93171	1.7
107.08593	2.9
109.06567	1.9
109.10178	1.9
114.52732	1.5
116.20418	1.5
119.08590	2.4
121.10116	2.9
123.08089	1.6
145.10112	1.6
147.08008	2.0
147.11673	1.9
159.55859	1.5
161.09590	1.5
167.07004	2.9
229.08588	6.1
231.08134	2.1
245.09576	1.5
247.07498	3.8
248.08398	6.8
249.09158	1.7
261.08990	2.8
262.09778	2.7
263.10739	6.2
275.06940	5.9
276.07883	8.2
278.07428	1.9
290.09406	3.4
291.10202	10.5
291.19162	2.1
292.07401	3.3
293.08237	6.8
296.08289	2.0
305.08133	2.8
307.09732	6.1
308.10449	3.6
310.72263	1.8
319.09607	3.3
321.07727	5.7
322.08441	2.8
322.12112	3.0
323.12799	2.4
325.10803	2.0
335.09006	3.5
336.10022	2.2
337.10800	6.8
351.12320	10.0
353.06302	1.6
353.10071	14.4
353.94354	1.6
365.23459	2.7
368.12320	12.9
383.14932	100.0
383.20398	37.2
383.24960	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	383.1491
Annotation	Desmodin
Peak:m/z	Relative Intensity
56.48957	0.6
60.10417	0.6
65.32130	0.6
67.58447	0.5
76.68027	0.6
77.08373	0.6
77.49538	0.6
78.59431	0.7
85.34808	0.6
107.04940	0.7
134.29414	0.6
154.84430	0.7
161.06062	0.6
167.07051	0.9
169.06407	0.7
170.07242	1.3
186.06790	2.9
187.07616	0.7
192.21507	0.7
194.07362	0.7
200.08366	0.9
201.09079	3.0
205.08598	2.6
207.08035	0.7
219.08116	1.1
219.10185	0.9
220.08772	2.5
229.08569	3.7
231.08055	2.6
231.10101	1.2
232.08916	1.4
233.09625	3.0
234.10309	2.7
235.11360	0.8
237.08981	1.0
245.09514	2.7
247.07452	4.6
248.08308	6.2
249.09103	2.5
259.07532	2.6
260.08362	0.8
261.09116	4.1
262.09906	5.1
263.10617	7.0
265.08578	1.3
273.09103	0.9
275.06937	6.3
276.07721	6.1
277.08582	3.2
279.10104	3.2
286.66956	0.7
287.06979	1.3
289.08527	1.3
290.06400	0.6
290.09262	5.6
291.10141	10.7
293.08102	8.3
293.11359	1.2
294.08615	0.8
303.06509	1.1
304.07187	2.5
305.07993	2.8
305.11646	1.5
306.08676	0.9
307.09644	10.1
308.10419	5.9
309.11365	1.2
315.08759	0.8
318.08893	1.2
319.09644	6.3
321.07614	4.2
321.11050	1.1
322.08347	3.7
322.11932	2.3
323.09204	0.9
323.12701	5.9
325.10675	1.5
333.10635	0.8
335.09103	3.0
336.09814	3.3
337.10663	9.9
338.07858	3.2
350.11487	3.3
351.12277	10.8
352.13113	1.0
353.10123	15.0
368.12567	11.3
383.14868	100.0
383.22833	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	383.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54081	1.4
60.35304	1.5
61.23796	1.5
63.59258	1.3
64.88646	1.5
67.05499	6.7
70.06590	8.7
70.17042	1.8
70.98886	1.9
79.05482	1.9
80.81441	1.7
81.07058	6.5
86.55515	1.6
92.49244	2.1
95.08613	2.4
105.07043	8.8
109.06516	2.5
109.10144	8.6
115.05476	2.5
116.53046	1.5
122.03616	2.8
133.06499	8.3
133.10098	2.1
137.05986	100.0
155.51463	1.6
161.05992	46.1
161.09550	1.8
177.05363	2.0
199.07570	25.3
202.07794	3.1
203.08549	11.6
207.03708	1.8
220.08818	2.5
231.08034	24.5
232.08890	9.9
248.08424	14.6
254.17529	9.1
255.17917	16.9
259.07571	23.6
260.08359	16.1
261.09207	2.0
263.10611	17.1
276.07877	12.3
277.08621	7.9
291.10159	75.7
291.19342	2.6
292.10925	3.0
293.08069	2.4
293.14249	1.7
295.13348	2.6
308.10376	2.9
323.12830	41.0
351.12250	3.0
365.22971	3.3
369.10886	1.8
383.14822	9.7
383.23975	23.9
383.29874	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	383.1494
Annotation	Desmodin
Peak:m/z	Relative Intensity
51.60764	1.7
59.41264	2.1
73.81125	1.9
73.88766	2.1
79.05494	3.5
81.07053	3.9
92.18365	3.5
107.08563	3.1
112.67171	2.3
137.05992	4.6
143.86943	2.1
144.08081	2.5
170.09724	4.3
189.82727	2.6
203.08551	5.6
229.08679	2.8
231.08034	12.2
233.09770	3.0
245.09776	3.7
247.07542	3.1
248.08266	13.4
259.07550	4.5
262.09918	4.0
263.10535	17.2
276.07822	17.6
277.08698	5.4
279.10120	3.9
290.09357	5.8
291.10248	27.7
293.08295	16.2
307.09705	10.3
308.10449	5.4
319.09695	4.4
321.07578	3.3
323.12741	41.3
336.10092	4.3
337.10672	4.9
351.12479	10.4
353.09979	16.7
365.23508	3.8
368.12503	5.1
383.14886	100.0
383.23990	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	383.1495
Annotation	Desmodin
Peak:m/z	Relative Intensity
55.05528	1.5
56.81241	1.2
62.07174	0.9
67.05505	2.2
81.07062	2.6
87.20619	1.1
88.15916	1.1
91.05527	1.5
92.18603	1.0
93.07036	2.2
107.08565	2.3
123.08035	2.1
125.09553	1.4
137.09596	1.0
137.43932	1.3
156.61247	1.2
163.13725	1.1
201.09061	1.9
219.04536	1.3
220.08719	1.4
229.08615	2.5
231.08083	5.5
233.09621	1.5
245.09599	2.2
247.07558	5.8
248.08298	4.6
260.08231	1.5
261.09091	2.2
262.06006	1.3
262.09885	6.6
263.10678	6.9
265.08658	1.6
267.06805	1.9
275.07028	6.6
276.07898	6.6
277.08630	4.6
279.10358	2.3
289.08569	1.9
290.09390	7.5
291.10019	11.8
291.19501	2.5
292.07425	1.9
292.10678	1.2
293.08170	10.0
305.08173	4.7
305.11783	2.8
307.09586	8.3
308.10379	5.9
309.11157	1.2
319.09769	2.5
321.07608	5.6
321.11050	1.6
322.08524	2.1
322.12204	1.9
323.12845	7.8
325.10867	1.8
335.09235	4.1
336.09720	2.2
337.10757	9.3
338.07889	2.3
347.12848	1.3
351.12341	10.1
353.10205	16.5
368.12766	9.2
383.14920	100.0
383.23926	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71410	1.0
67.05514	2.1
76.26111	1.2
105.07043	5.1
109.06547	2.8
122.03694	1.6
133.06526	5.2
133.88060	1.2
137.05989	100.0
149.05931	1.4
161.05980	43.3
175.07576	1.4
184.05124	4.8
184.45950	1.4
199.07550	27.8
202.07880	2.1
203.08560	10.5
220.08815	2.4
231.08060	27.8
232.08838	6.2
247.07458	1.6
248.08368	14.6
256.52039	1.2
259.07513	20.5
260.08420	10.5
263.10684	18.2
268.65814	1.4
275.07080	1.5
276.07858	13.0
277.08636	5.8
291.06900	2.5
291.10159	76.6
292.11041	5.2
323.12769	42.1
376.91943	1.3
381.83798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
61.04092	1.8
68.56607	1.9
70.61116	2.1
79.05479	3.8
81.07063	8.9
81.73600	2.2
85.02914	2.8
91.05486	5.0
93.07057	2.8
95.08588	9.7
107.08572	3.8
108.15482	2.4
109.02894	2.0
109.10162	3.0
110.67207	2.0
119.08570	3.4
121.10173	3.3
131.81435	2.0
133.10133	2.9
137.05959	2.0
147.11720	3.1
149.13188	2.3
151.11240	2.3
169.06499	4.0
170.09601	5.1
203.08556	2.3
204.13271	2.3
219.07986	3.1
220.08801	4.9
229.08563	4.7
231.08049	23.5
232.08859	3.6
233.09499	2.4
245.09662	10.1
248.08415	21.3
259.07526	8.0
260.08295	3.6
261.09106	3.9
262.09869	8.6
263.10638	40.9
268.17465	2.9
273.08896	3.8
275.07193	4.6
276.07864	13.3
277.08606	7.9
279.10284	3.0
290.09433	8.9
291.10159	44.3
292.11020	5.0
293.08127	18.8
293.11102	2.9
304.07401	2.9
307.09824	4.0
308.10471	11.0
318.08817	3.6
319.09549	11.1
321.07587	4.2
323.09344	4.1
323.12775	68.6
333.11288	4.2
336.10040	4.2
337.10788	3.7
351.12292	43.3
353.10333	4.4
362.89386	2.4
365.23212	4.2
368.12592	2.7
383.14911	100.0
383.19852	6.4
383.24579	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	383.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85683	2.7
60.33643	2.8
66.28146	3.7
67.05511	4.6
70.43131	2.9
81.07083	5.0
93.07046	3.7
101.76697	3.7
105.07031	6.9
122.03632	3.8
131.04890	4.1
133.06512	4.7
137.05991	94.9
157.08441	3.6
161.05989	37.6
167.07057	8.1
170.09637	4.4
179.47353	3.5
198.19496	3.4
199.07596	50.5
203.08577	20.5
220.08772	4.1
231.07988	44.0
245.09773	4.2
247.07738	4.5
248.08267	25.7
259.07535	31.2
260.08362	16.1
263.10693	32.9
265.08640	5.2
276.07889	26.3
277.08633	17.3
291.10147	100.0
292.10925	13.8
293.08054	6.8
295.13223	4.2
305.08066	4.6
308.10538	6.7
323.12787	99.3
351.12189	8.5
353.10626	4.3
383.11005	3.4
383.15179	40.8
383.24295	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	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27476	1.4
57.53389	1.4
59.66725	1.5
63.85836	1.9
66.11524	1.8
69.03450	4.1
72.08134	2.4
79.01725	1.9
80.85674	1.7
81.03424	2.1
85.02924	29.9
97.02879	3.2
102.86726	1.7
109.02928	3.1
124.97774	1.8
130.06535	26.2
132.04459	3.4
144.08109	11.6
144.37955	1.8
145.07570	16.0
146.06030	4.4
148.07603	2.8
157.07622	41.1
158.06015	26.5
159.09192	7.6
171.09135	2.7
172.07600	9.9
174.05473	4.0
175.08673	54.3
183.09229	12.6
184.07564	2.5
185.04375	2.1
185.07147	2.8
186.05536	1.9
187.08636	3.1
190.08620	2.2
199.08679	12.6
200.07080	18.2
203.06245	3.4
203.08148	92.9
204.06511	2.7
209.07127	10.2
216.08905	2.5
217.09732	21.4
221.09157	31.1
227.08128	8.1
231.07648	3.3
245.09200	17.8
263.10287	35.9
275.10406	1.8
299.10419	3.3
320.21622	1.8
347.12521	8.2
348.10751	2.8
365.13419	41.5
383.09244	46.4
383.14243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1127
Annotation	4,4'-Dimethoxyvulpinic acid
Peak:m/z	Relative Intensity
72.08154	1.6
95.66853	1.5
104.38682	1.4
107.08594	1.9
128.46315	1.8
131.04863	1.8
163.03867	1.7
189.06996	1.5
202.07838	1.7
218.07303	2.1
219.08018	2.3
221.09552	1.9
234.06741	11.3
235.07420	3.4
247.07373	3.0
249.09114	8.2
261.09262	5.4
262.06265	13.6
263.07028	2.4
264.07678	1.9
277.08606	21.9
280.07260	2.8
290.05612	3.3
292.07123	5.6
295.09622	3.0
305.08112	50.8
308.06769	15.4
308.09799	1.9
321.07547	17.4
322.08475	11.7
323.09091	16.9
333.07550	6.0
336.06329	16.2
337.06870	8.6
351.08618	100.0
352.09534	11.0
369.62851	1.8
383.11188	75.6
383.24918	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	382.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94419	19.3
57.30067	18.9
59.09936	16.8
64.62239	18.1
88.76170	19.5
101.86665	22.0
382.29501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.4
56.05038	1.5
60.04537	56.8
61.43850	0.3
61.73778	0.3
67.05515	3.5
69.07077	1.0
70.06599	0.8
71.04990	1.7
71.06960	0.4
72.04520	0.8
72.08153	1.0
74.06065	0.8
78.99811	0.4
79.05507	3.8
79.66931	0.3
80.05013	1.8
81.03432	0.7
81.07066	9.0
82.06580	0.6
83.04966	0.6
83.08626	0.5
84.04531	0.4
85.06527	2.5
86.06107	0.5
91.05464	2.7
93.07065	4.4
93.72867	0.3
94.06596	0.4
95.04968	0.6
95.08604	6.5
96.08125	0.5
97.06524	2.2
97.10181	0.4
98.06081	0.7
99.08105	4.0
101.60246	0.4
102.05547	3.3
105.07035	2.1
107.08598	3.0
109.10166	1.7
111.08067	0.8
112.07597	0.5
117.07022	0.7
119.08609	3.1
121.10181	4.2
121.10909	0.6
123.04468	0.5
123.11749	0.4
128.53864	0.4
129.06973	0.4
131.08549	2.2
133.10161	3.6
135.11700	2.7
142.08607	0.6
143.08548	0.5
145.10130	2.2
147.11691	2.1
149.13280	0.8
159.11708	1.7
161.13243	1.4
173.13271	0.8
175.14856	1.6
230.26355	0.4
254.45952	0.4
274.21640	0.9
292.22763	2.8
310.23831	4.4
328.24942	4.9
346.25928	8.8
364.26923	13.9
382.19901	2.5
382.28006	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	382.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18190	0.4
55.05514	0.7
56.05033	1.5
57.03428	0.7
57.07072	0.3
60.04534	59.9
61.03226	0.3
64.33462	0.4
67.05509	3.9
68.05041	0.4
69.03444	0.5
69.07054	2.2
71.04993	2.7
72.04507	1.9
72.08135	0.8
74.06071	0.8
79.05503	5.0
80.05026	0.7
81.03424	1.6
81.06598	0.6
81.07062	10.9
82.06615	0.4
83.04975	0.7
83.08617	0.4
85.06545	5.8
86.09716	3.8
91.05482	3.5
93.07059	6.8
94.06593	0.5
95.04972	0.8
95.06085	0.4
95.08611	7.4
97.06528	2.2
98.06052	0.4
98.75034	0.4
99.08102	3.7
102.05545	3.4
105.07033	3.5
107.08589	3.7
109.06523	0.6
109.10146	2.4
110.07174	5.5
111.08085	1.5
112.07603	0.6
116.07101	0.8
117.07030	0.8
118.25557	0.4
119.08590	3.5
120.08102	0.4
121.06490	0.8
121.10133	5.2
124.07591	0.5
124.24483	0.5
131.08548	2.4
133.10147	4.1
135.11702	4.8
139.11171	1.7
141.06880	0.4
142.08659	3.1
145.10104	3.2
147.11685	2.1
155.08540	0.4
156.07674	6.8
157.10164	0.5
157.12180	0.7
159.11708	2.1
160.09628	0.5
161.13231	1.5
163.03770	0.6
173.13283	0.8
175.14801	2.4
182.11867	0.4
185.13145	0.4
200.12868	0.5
215.64923	0.5
251.20055	0.4
262.21692	0.6
266.21362	0.5
274.21606	1.9
280.22641	0.5
292.22736	3.3
310.23761	6.8
328.24860	7.4
336.70419	0.4
346.25839	9.6
364.26923	20.0
382.21124	4.8
382.27997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2125
Annotation	Tryprostatin A
Peak:m/z	Relative Intensity
59.18031	0.6
70.06593	0.8
72.08160	69.4
73.76984	0.6
89.10799	5.8
91.05486	3.6
100.81652	0.8
105.07014	0.9
163.03886	0.8
172.10867	0.7
252.10182	93.9
266.11703	1.3
294.11203	22.9
294.14255	1.5
365.18591	21.2
379.72479	0.8
382.21265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.4
56.05050	0.5
60.04525	2.5
69.07049	0.3
70.06593	1.7
72.08157	1.7
74.06076	1.1
74.09725	1.4
81.07053	0.4
83.06103	1.7
84.04538	0.5
84.08146	1.6
85.02874	0.3
86.06082	1.8
86.09711	67.5
87.05589	0.6
88.03999	0.4
88.11275	2.7
90.05572	0.4
91.25469	0.3
93.04532	1.0
93.07024	1.1
95.06095	15.2
107.08575	0.3
110.07171	91.8
112.08720	0.4
113.07137	1.5
114.05560	1.5
119.08560	0.3
120.08108	7.7
121.03999	0.5
121.06509	0.4
121.10169	0.6
122.02728	0.4
127.03893	0.4
129.10233	0.4
130.05014	0.4
134.40056	0.3
138.06641	0.3
144.08113	0.5
148.06140	0.9
156.07689	100.0
157.13397	0.4
161.06009	0.3
161.09586	0.4
162.09125	1.4
166.06117	2.2
176.04243	0.3
178.13408	1.5
190.13266	0.3
207.11331	5.0
207.16118	0.3
209.12856	0.5
220.11778	1.2
221.12729	0.4
223.15579	1.2
227.13857	0.4
230.10939	0.3
234.12349	1.4
235.10803	2.8
251.14999	1.7
269.16098	6.4
279.14297	0.4
279.17078	7.8
279.19962	0.3
336.20447	0.4
338.24393	7.5
340.19305	0.3
346.13260	0.3
346.25647	0.3
351.58392	0.3
364.14377	1.0
364.19708	2.7
382.20731	72.7
382.28378	1.9
382.55490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02818	0.3
50.63401	0.3
54.09566	0.4
57.49789	0.3
60.51276	0.3
63.96826	0.3
67.52341	0.3
67.97983	0.4
72.04523	18.9
72.04929	0.6
72.08165	10.4
74.09720	4.8
98.06058	0.5
99.72362	0.4
100.07623	100.0
115.08701	1.6
140.68459	0.4
149.00595	0.5
167.01608	4.3
176.99979	0.6
192.99545	2.4
195.01117	4.3
265.10031	0.9
266.04758	1.8
268.10010	0.5
279.33221	0.4
294.07941	76.5
309.09152	2.7
330.52612	0.4
382.17929	31.4
382.28622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1797
Annotation	(S)-bevantolol HCl
Peak:m/z	Relative Intensity
52.15456	0.5
69.03432	0.4
70.06593	0.9
72.04521	31.1
72.08159	21.9
74.09716	1.0
75.89840	0.5
89.10797	9.8
92.18433	0.8
98.06067	0.5
100.07620	100.0
107.08591	0.7
115.08676	1.1
115.38622	0.6
119.08512	0.5
135.95065	0.5
136.06206	0.8
160.07512	4.0
186.09145	8.9
187.09933	3.5
189.12791	0.7
195.01106	1.2
215.11794	3.8
218.14183	2.6
235.13248	0.7
237.79103	0.5
248.07321	0.7
265.10117	0.7
268.10172	0.9
309.09149	0.8
320.18842	0.6
365.15509	0.6
365.33731	0.6
382.17987	52.4
382.21976	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	382.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	0.7
59.04994	1.9
60.31387	0.4
67.05505	0.8
69.03417	0.9
69.07060	2.9
70.02959	0.7
72.04517	6.3
72.08159	0.8
73.02927	0.5
76.24706	0.5
83.04972	0.5
84.05620	0.8
85.02911	5.8
85.06522	3.0
86.09698	1.9
87.08091	2.3
90.05558	66.8
90.09176	0.5
90.44083	0.4
95.04941	2.3
97.02911	0.9
98.02420	6.5
100.03982	0.8
103.07561	4.0
110.07188	0.7
113.06053	1.4
116.03442	11.8
124.07601	7.0
136.07610	0.9
142.08655	5.1
156.10202	1.0
160.09657	1.0
166.08601	2.2
174.11180	2.3
184.09706	15.1
200.40747	0.5
202.10745	23.8
220.11804	100.0
240.13628	0.5
252.07352	0.8
382.07825	0.6
382.16843	2.5
404.68176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37117	0.2
55.01888	0.3
57.07082	1.6
59.05013	0.6
60.04534	1.7
61.02932	0.4
66.92279	0.3
67.05500	1.4
69.03436	0.4
69.07072	2.3
70.02967	0.4
70.06606	1.3
72.04525	5.4
72.04893	0.5
72.08153	1.7
72.18141	0.3
73.02923	1.8
81.03418	0.4
83.04958	0.4
84.04494	0.4
84.08143	0.3
85.02907	4.2
85.06551	4.6
86.09709	1.1
87.08109	2.1
88.11298	0.3
90.05560	63.0
95.04987	2.1
97.02882	1.2
98.02432	5.6
98.08367	0.3
99.04531	0.4
100.03979	1.3
103.07578	4.0
106.05106	0.3
113.06017	0.7
116.03450	10.0
120.08120	2.0
124.07584	6.6
127.03934	0.6
129.21039	0.3
131.38289	0.3
136.07547	0.4
142.08630	4.3
156.10234	0.6
159.49182	0.3
160.09705	1.7
166.08664	1.9
174.11278	2.0
184.08052	0.6
184.09705	17.0
202.10757	21.2
204.49969	0.3
208.04965	0.3
220.11804	100.0
220.35545	0.3
260.11465	0.3
266.50385	0.3
288.50455	0.3
382.16687	0.4
382.28067	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	382.171
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.91488	0.3
52.76742	0.3
53.04507	0.3
57.07077	0.7
59.04994	0.6
61.02916	0.5
65.47643	0.4
69.03417	0.4
69.07055	2.5
70.02942	0.8
72.04514	5.4
73.02944	0.6
85.02930	3.5
85.06556	3.1
86.09693	0.9
87.08097	1.6
90.05559	57.4
95.04942	2.3
97.02898	0.7
98.02411	5.2
100.03980	0.5
102.12439	0.4
103.07585	3.7
113.05991	0.7
116.03448	9.7
120.08103	0.4
120.98479	0.5
124.07594	5.6
127.03857	0.5
130.08519	0.4
131.06995	0.4
136.84021	0.4
142.08644	4.6
160.09674	1.7
166.08629	2.6
174.11255	2.2
180.90352	0.5
184.09692	14.5
196.71541	0.4
202.10757	19.6
220.11800	100.0
232.88988	0.4
382.16647	0.6
383.57065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82035	1.0
53.03954	1.2
54.47410	0.9
55.01870	1.8
55.05504	2.4
56.53265	1.1
57.03443	2.0
60.04503	1.1
60.89952	1.0
61.02929	18.9
67.05495	5.1
69.03435	15.7
69.07063	2.3
72.08149	1.9
73.02911	2.3
79.05499	20.3
81.03418	8.4
81.07059	5.7
83.08624	7.4
84.04542	1.6
85.02908	39.3
87.00835	14.7
87.04458	7.2
91.05489	1.7
93.07045	30.5
95.05026	1.3
95.06091	40.1
95.08602	22.5
97.02892	18.1
97.06528	18.2
99.04453	5.9
99.08099	82.4
105.01872	26.1
105.07050	14.3
109.02911	12.4
111.08092	20.3
113.07140	6.6
115.03916	9.7
115.07562	1.9
117.09126	29.8
120.08105	8.1
121.06507	27.9
121.10144	1.9
122.09647	7.5
126.05527	2.2
127.03909	28.0
129.01778	1.3
139.07547	100.0
143.07031	2.4
144.06493	2.5
145.04927	11.0
157.08595	27.4
159.02913	6.0
165.23349	1.3
166.08632	2.2
185.08084	30.8
189.08730	2.3
190.54550	1.2
203.09148	90.1
217.08206	6.8
231.05035	7.6
249.06100	8.4
262.03925	1.5
279.17050	22.7
282.98154	1.3
291.07050	4.5
338.24362	26.1
382.14960	2.1
382.23416	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	381.3002
Annotation	Persin
Peak:m/z	Relative Intensity
55.05521	7.4
57.03440	5.0
57.07086	16.9
59.47768	3.4
60.23380	3.6
66.98599	4.8
67.05521	41.9
69.07063	21.8
71.08627	8.8
79.05496	18.3
81.07069	48.0
83.08608	16.9
85.06573	6.6
91.05490	6.5
93.07044	37.6
95.08604	52.3
97.06522	4.8
97.10196	7.5
105.07058	9.6
107.08584	17.0
109.10164	29.0
117.07030	4.8
117.96755	5.2
119.08614	18.6
121.10157	48.7
123.11687	9.5
129.05492	7.7
131.08583	23.5
131.40887	4.2
133.10136	9.6
135.08116	6.6
135.11703	22.7
135.44014	4.3
145.10100	35.2
147.11684	7.8
149.13252	8.3
159.11713	16.1
173.13237	21.5
187.14813	17.1
189.16425	4.6
205.19554	6.7
215.68448	4.5
227.35167	4.8
263.23779	4.9
271.24197	88.6
279.74615	4.6
289.25241	100.0
307.26117	6.4
363.29022	16.4
381.30057	42.1
400.83118	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	381.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49077	3.8
98.29311	4.4
103.13116	4.3
126.75684	4.8
134.60062	4.4
381.26224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01469	1.0
52.61075	1.0
53.46160	1.0
55.77890	0.9
57.03449	1.9
59.99115	1.8
68.03622	1.2
68.74531	1.1
71.15993	1.1
71.37456	1.1
72.04531	8.6
84.91763	1.3
88.02220	17.4
89.00867	1.2
91.05453	1.6
91.36040	1.1
100.07623	24.5
105.07043	1.6
109.06497	1.4
116.05315	29.5
133.10115	1.3
151.11156	1.3
151.53587	1.3
163.03848	1.9
190.76126	1.2
201.97855	1.2
204.99579	21.4
206.05939	2.0
214.07648	1.3
221.02736	1.6
234.71356	1.1
249.02167	100.0
320.10242	1.5
322.11017	12.2
366.11264	1.5
381.13351	11.5
381.18408	47.2
381.22958	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	381.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16598	0.3
59.99112	3.1
72.04528	6.1
88.01701	0.6
88.02222	16.0
100.07625	15.9
116.05318	29.2
121.42481	0.4
134.37602	0.3
134.69380	0.3
136.22308	0.3
163.02461	0.3
163.03880	2.1
193.03174	2.6
204.99551	17.3
206.05789	2.1
221.02650	3.1
249.02165	100.0
249.22462	0.4
322.11053	13.2
322.14594	0.5
381.18448	39.0
381.22916	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24844	0.8
67.05523	0.9
81.07070	1.5
84.04521	7.2
93.07076	1.1
95.04986	1.2
96.17310	0.9
103.05481	16.9
105.07040	29.4
122.09676	22.6
125.66177	0.9
131.04935	100.0
147.37582	1.0
183.06633	1.0
187.12334	5.8
188.10724	12.5
199.57553	0.9
205.13382	17.8
211.49538	1.0
233.12872	24.1
234.11232	4.1
251.13748	2.9
260.08990	3.8
285.12872	0.9
321.11349	1.1
338.49216	0.9
363.16977	3.7
366.10898	1.0
381.13150	8.0
381.18179	15.9
381.22723	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	381.1337
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
51.17783	0.5
51.43617	0.5
55.60045	0.6
60.60635	0.6
73.33764	0.6
84.20618	0.6
94.56179	0.7
127.31845	0.6
155.10002	0.8
168.98451	0.7
199.45790	0.6
208.19243	0.6
232.08908	0.9
233.09541	0.7
248.08243	1.4
250.09920	0.8
260.08337	7.9
261.09122	3.8
263.07074	3.0
275.07092	0.9
277.08661	3.1
278.09341	2.6
288.07794	5.0
289.08673	3.9
291.06781	5.8
291.09830	1.3
292.10803	0.7
295.09686	2.5
303.06793	0.6
303.10168	0.8
305.08038	6.9
306.08878	16.2
307.09692	3.5
317.08252	0.8
319.06137	0.9
320.10587	2.7
321.11163	9.5
323.09067	4.9
331.09311	0.7
333.07523	1.6
334.08386	3.8
335.09131	13.5
338.11664	1.2
348.09769	1.0
349.10690	6.2
350.11581	2.5
351.08624	21.4
353.13879	1.0
366.11053	14.0
381.13336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1339
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
53.95882	0.6
96.24049	0.9
128.89726	0.7
135.60832	0.8
200.54735	0.8
232.08801	1.1
247.07552	0.9
260.08414	5.8
261.09085	1.3
263.07092	1.6
275.07040	1.6
277.08640	3.2
278.09421	4.4
288.07767	4.0
289.08621	3.2
291.06525	5.5
305.08170	4.9
306.08823	16.3
307.09665	1.9
316.07404	1.1
319.05951	1.6
320.10422	3.8
321.11185	10.4
323.09097	6.2
333.07474	1.9
334.08261	5.7
335.09207	9.9
348.09921	1.0
349.10779	5.1
350.11542	1.9
351.08649	20.9
351.12552	1.4
366.10968	15.5
381.13336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1332
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
54.98629	0.5
59.71781	0.6
60.36820	0.5
63.07245	0.6
69.70267	0.5
123.99637	0.7
124.88506	0.6
144.08081	1.3
170.09616	5.6
171.10391	1.2
186.09178	0.7
218.07349	0.8
224.79488	0.6
231.07950	0.9
232.08910	2.3
233.09634	1.0
260.08368	7.6
261.09189	3.0
262.09940	0.7
263.07053	3.0
275.06934	1.1
275.10757	0.6
276.07761	0.9
277.08582	3.1
278.09390	3.7
280.07407	0.7
288.07874	5.3
289.08621	2.3
291.06543	6.6
291.09814	1.3
292.07590	0.8
293.11670	1.2
295.09592	1.3
303.06320	0.7
305.08112	9.2
306.08875	19.6
307.09714	3.3
308.06870	1.2
308.10355	0.6
316.07248	0.7
319.06042	2.7
319.09637	1.0
320.06918	0.8
320.10379	4.7
321.11169	11.8
323.09189	7.0
333.07620	1.3
334.08328	4.7
335.09149	13.6
338.11682	1.2
348.09991	0.6
349.10617	6.8
350.11636	3.8
351.04874	0.8
351.08640	24.0
366.10992	16.6
381.13351	100.0
381.20334	4.4
399.07196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94316	1.4
55.48380	1.4
62.92886	1.3
79.32534	1.1
84.41241	1.1
142.22716	1.2
236.15004	2.9
286.59402	1.4
381.07944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61414	1.1
52.43214	1.0
65.07464	1.1
85.78246	1.2
111.05717	1.2
294.63333	1.2
342.39563	1.4
381.07944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0585
Annotation	Potassium lespedezate
Peak:m/z	Relative Intensity
59.14497	5.9
60.56785	5.8
62.25142	7.0
63.17736	6.5
83.95990	7.0
88.89188	7.8
121.03987	7.4
188.09109	7.8
381.05658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09185	2.6
88.78444	3.3
94.39568	2.8
116.60320	3.2
223.02159	3.1
236.14870	33.0
254.11514	3.9
381.08392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0267
Annotation	Flufenpyr
Peak:m/z	Relative Intensity
56.94292	0.8
69.03424	1.6
72.08152	1.4
72.93776	4.7
81.03411	1.1
84.81261	0.9
90.94821	5.4
93.09384	0.9
97.02879	1.7
97.91354	0.7
102.19061	0.8
103.05476	7.0
112.14232	0.9
116.96339	1.4
118.94392	0.8
128.96336	1.5
130.97870	1.1
132.95836	14.7
136.79343	0.8
136.95410	0.8
140.66066	0.9
140.96292	1.9
144.95819	15.3
146.97379	1.3
147.04419	14.2
150.96892	1.0
153.85997	0.8
156.95876	1.7
158.97380	34.5
162.96854	1.3
165.54721	0.8
166.72484	0.8
168.95822	1.3
170.09726	1.0
170.97401	3.3
174.96864	3.5
176.98476	7.9
178.97943	4.0
186.96886	9.1
188.98448	1.3
192.25772	1.0
192.99390	1.0
198.96901	2.0
202.97899	15.4
204.97969	2.1
216.97928	21.8
218.97400	18.9
220.98991	13.7
234.98987	64.0
236.98389	10.8
246.96931	4.4
253.00060	3.6
256.98944	3.4
260.98416	21.0
264.97934	4.2
271.00516	4.8
272.98447	14.1
274.99954	1.0
278.99399	1.2
286.99875	6.6
288.11530	0.9
290.99518	1.5
337.03690	4.3
345.00653	3.2
363.01602	100.0
381.02679	17.4
381.13141	1.2
381.20093	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60630	1.2
55.02636	1.3
56.79443	1.0
57.06829	2.0
57.07087	42.8
57.75626	1.3
59.56206	1.2
63.00040	1.2
69.07085	2.7
69.44392	1.3
71.08639	32.1
73.11333	1.3
85.10184	18.7
89.06039	55.1
99.72638	1.3
110.36058	1.6
133.08574	14.6
147.95737	1.4
177.11240	2.3
195.12277	21.4
196.32198	1.6
363.26447	3.3
363.31058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	37.8
59.81611	2.2
65.66715	2.0
69.96900	2.2
71.08630	25.8
80.00146	2.2
85.10181	22.0
88.37033	2.2
89.06028	70.5
97.10179	2.5
108.62329	2.6
129.24210	2.2
133.08591	16.0
195.12289	22.9
227.27298	2.4
235.26027	2.1
256.55173	2.3
363.31061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47518	0.6
57.07086	0.8
64.34612	1.0
67.05505	1.3
69.01849	0.7
69.07077	0.9
81.07050	1.3
83.04977	3.3
91.05471	0.9
92.27950	0.8
95.08604	1.7
107.08575	1.0
110.09675	4.7
226.12553	1.8
242.15773	1.2
244.77826	1.0
254.15735	36.7
292.83456	1.1
307.17273	3.7
380.26163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2846
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
55.05510	9.7
57.07087	13.2
57.82383	8.7
59.64995	9.3
63.08692	10.5
67.05508	16.0
79.05507	11.7
81.07067	15.0
81.60710	11.2
86.97495	11.0
89.18124	10.8
91.05487	19.9
93.07077	14.9
95.08614	12.7
119.08582	16.7
121.10129	14.8
129.07904	11.3
133.10146	18.8
162.44006	9.9
171.11717	12.0
175.14890	11.6
181.86105	11.7
269.22736	12.4
287.23819	26.4
379.28458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2847
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01867	1.2
55.05512	5.9
57.07066	7.3
62.44313	1.0
67.05509	13.4
68.47157	1.2
69.07075	18.9
71.04986	5.1
79.05484	5.0
81.06664	1.4
81.07079	21.7
81.13045	1.3
83.08627	2.1
85.06551	4.5
91.05480	6.5
93.07047	20.1
95.08606	13.9
96.02193	1.1
97.06527	1.5
97.10174	1.5
101.09641	5.8
105.07026	5.7
107.08603	23.6
109.06570	2.7
109.10152	6.0
110.66128	1.3
111.08061	2.1
119.08561	6.2
121.10144	13.1
123.08063	9.0
123.11740	2.7
125.09649	1.7
133.10133	1.6
135.08078	30.3
135.11713	7.3
137.05893	1.6
137.09586	1.5
139.07539	7.2
145.10121	2.4
147.11668	8.0
149.09604	4.7
149.13261	11.2
152.08310	2.2
153.12871	1.3
157.10164	1.3
159.11708	1.2
161.09683	1.7
163.11336	1.1
165.09125	18.9
165.12761	2.8
177.12740	23.1
179.14326	1.8
181.15872	7.5
191.14299	5.4
201.14891	6.1
209.15401	10.6
215.16499	2.4
263.20139	1.9
291.19778	2.0
305.21127	2.6
321.20264	1.4
347.25812	100.0
361.27274	2.7
379.23495	2.5
379.28458	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	379.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	11.4
60.68607	8.8
66.69344	10.1
67.05505	19.2
73.00302	9.5
73.66393	13.0
73.95331	9.5
81.07027	13.8
90.84064	10.8
92.07291	10.7
93.07059	11.7
95.08582	12.4
98.11891	10.4
106.30021	10.0
109.81705	9.9
113.96983	12.5
119.08592	15.8
121.10158	14.6
129.05424	14.1
133.10136	23.5
147.11597	12.0
161.13278	11.7
171.11766	16.5
245.22559	22.0
269.22525	14.5
287.23651	65.5
342.20950	11.4
360.05902	11.6
379.28671	100.0
394.29947	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	379.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.6
57.03450	1.8
57.07077	5.7
61.35602	1.5
67.05515	23.0
69.07062	3.0
75.04502	1.2
79.05499	21.3
81.07069	22.8
83.08616	5.6
85.06535	1.6
91.05481	22.1
93.05081	1.4
93.06519	2.2
93.07058	31.5
95.04961	1.7
95.08616	19.7
99.08125	1.4
105.07030	24.6
106.51662	1.3
107.08608	22.2
109.10160	7.6
111.08029	1.9
117.07020	7.9
119.08588	35.2
121.09332	1.9
121.10149	23.6
123.11688	3.0
129.07008	7.1
131.08546	11.0
133.10152	29.9
135.11681	10.5
143.08591	9.2
145.10120	13.4
147.11714	14.6
149.09619	2.0
149.13261	8.3
157.10141	6.6
157.17603	1.4
159.11758	6.4
161.09726	1.3
161.13284	13.8
163.14851	9.1
171.11681	10.4
173.13258	6.0
175.14861	14.2
177.16377	5.6
178.02437	1.5
185.13300	9.4
187.14804	6.4
189.12874	2.6
189.16426	10.1
199.14899	6.3
201.16412	2.3
203.17935	10.3
213.16357	2.0
217.16003	2.2
218.26683	1.4
245.22720	2.1
248.69452	1.4
259.24191	6.0
269.22699	13.2
287.23694	55.0
287.26654	2.4
330.49286	1.3
359.17294	2.6
379.28497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2847
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
55.05511	5.6
57.03450	1.8
57.07077	5.7
61.35602	1.5
67.05515	23.0
69.07062	3.0
75.04502	1.2
79.05499	21.3
81.07069	22.8
83.08616	5.6
85.06535	1.6
91.05481	22.1
93.05081	1.4
93.06519	2.2
93.07058	31.5
95.04961	1.7
95.08616	19.7
99.08125	1.4
105.07030	24.6
106.51662	1.3
107.08608	22.2
109.10160	7.6
111.08029	1.9
117.07020	7.9
119.08588	35.2
121.09332	1.9
121.10149	23.6
123.11688	3.0
129.07008	7.1
131.08546	11.0
133.10152	29.9
135.11681	10.5
143.08591	9.2
145.10120	13.4
147.11714	14.6
149.09619	2.0
149.13261	8.3
157.10141	6.6
157.17603	1.4
159.11758	6.4
161.09726	1.3
161.13284	13.8
163.14851	9.1
171.11681	10.4
173.13258	6.0
175.14861	14.2
177.16377	5.6
178.02437	1.5
185.13300	9.4
187.14804	6.4
189.12874	2.6
189.16426	10.1
199.14899	6.3
201.16412	2.3
203.17935	10.3
213.16357	2.0
217.16003	2.2
218.26683	1.4
245.22720	2.1
248.69452	1.4
259.24191	6.0
269.22699	13.2
287.23694	55.0
287.26654	2.4
330.49286	1.3
359.17294	2.6
379.28497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2843
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
55.01868	3.1
55.70071	2.6
57.07074	4.4
57.99300	2.9
63.24921	3.1
67.05504	21.3
69.07077	6.1
71.05015	2.8
71.62629	2.4
79.05492	12.8
81.07059	13.6
85.06519	3.2
91.05476	14.5
93.07041	13.4
95.08582	16.2
98.49684	2.7
105.07031	11.7
105.36990	3.0
107.08570	11.1
109.10170	3.7
117.07016	5.3
119.08585	19.6
121.10146	19.7
123.11696	3.5
124.85754	2.6
129.05478	6.3
131.08537	3.6
133.10130	27.9
135.11684	6.1
143.08533	4.9
145.10120	6.3
147.11639	23.3
149.18336	2.9
157.10095	6.0
159.11655	3.7
161.13225	10.1
161.50786	3.1
171.11688	11.2
175.11223	5.0
175.14742	4.2
185.13243	14.9
188.43379	2.7
189.12766	11.2
199.14774	5.3
203.17999	19.5
245.22626	17.6
259.24292	3.9
269.22650	23.0
277.12329	3.0
287.23657	56.0
292.62958	3.0
379.28439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.5
57.07087	6.5
67.05526	7.1
67.56394	0.8
69.07076	24.6
71.04981	5.5
71.08628	1.9
79.05479	4.8
81.07057	13.3
83.04999	1.7
83.08609	4.1
85.06551	3.7
89.06051	0.9
91.05460	4.6
93.07046	19.9
95.08620	12.9
97.06522	4.1
97.10162	0.9
101.09665	6.4
105.07033	5.5
107.08595	23.3
109.06531	5.0
109.10173	4.5
111.08071	3.6
119.08557	7.3
121.10164	10.9
123.08048	4.5
123.11713	5.3
125.09640	1.8
133.10144	3.9
135.08061	27.0
135.11659	7.1
137.05991	1.4
137.09645	1.6
139.07550	5.6
143.32739	0.9
145.10100	1.6
147.11685	7.3
149.09633	4.4
149.13283	7.1
151.11212	0.9
152.08350	1.2
153.09123	1.0
153.12721	1.3
159.11734	1.2
161.09644	1.6
161.13309	1.0
163.11038	1.1
165.09108	15.6
165.12784	3.8
173.13335	1.3
177.12746	18.8
179.14339	5.0
181.15872	9.7
183.13853	3.1
184.81654	0.7
191.14294	5.8
195.89380	0.8
197.15492	1.2
197.41426	0.9
201.14861	4.5
208.14598	1.7
209.15410	8.4
215.16682	1.3
263.20044	1.2
291.19675	1.8
305.21179	3.8
323.22046	1.3
329.24728	1.0
347.25812	100.0
379.28455	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	21.8
69.07069	37.0
78.08931	10.4
81.07048	37.3
84.39778	8.4
86.82625	8.4
91.05469	14.5
93.07033	12.6
95.08611	38.2
121.10159	41.1
129.05548	12.8
131.08582	9.9
133.10118	34.8
136.80858	9.4
145.10144	11.4
147.11748	12.3
159.11728	14.1
163.14862	11.2
171.11670	11.4
185.13347	11.7
186.16064	10.3
188.28625	9.8
203.17870	11.5
269.22626	14.2
274.68921	9.9
287.23770	58.9
379.28519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2846
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
55.05530	4.7
56.87089	2.5
57.03432	3.5
57.07064	4.3
58.21198	2.3
58.46720	2.3
67.05518	53.1
69.07069	21.3
79.05507	19.6
81.07064	60.6
81.24089	2.9
83.08639	4.4
85.06543	3.8
91.05515	19.8
93.07053	32.2
95.08613	39.5
97.06528	4.9
105.07040	11.4
107.08593	30.1
109.10137	32.9
119.08560	14.1
121.10131	35.8
123.11720	23.9
129.05475	4.6
131.08519	5.4
133.10149	21.6
135.08093	4.2
135.11765	20.2
137.13321	4.5
137.46936	3.1
143.08585	3.2
145.10188	12.4
147.11682	18.4
149.09628	5.2
149.13257	17.2
159.11690	10.7
161.13257	6.6
163.11177	4.4
163.14781	6.1
165.12698	4.0
171.11667	4.0
172.28860	2.8
173.13309	4.6
175.14836	4.4
177.16335	4.9
181.15710	2.7
185.13298	6.0
189.12805	3.5
189.16431	4.3
191.14381	5.6
203.17943	13.2
245.22816	6.4
269.22659	29.9
287.23666	40.9
296.69739	2.9
318.18814	2.8
347.25800	24.5
361.27484	6.5
379.28488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2844
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
50.92290	7.8
67.05502	47.6
68.00160	8.7
69.07060	10.6
71.08633	10.4
75.11524	8.2
75.72772	8.5
77.33040	10.3
79.05467	9.1
81.07091	65.7
91.05478	13.3
93.07055	44.2
95.08592	40.9
97.06551	9.2
107.08604	21.5
109.10184	22.0
117.07024	10.3
119.08604	11.4
121.10137	34.3
123.11680	18.3
129.17113	9.1
131.08612	14.9
133.10120	16.6
135.11649	12.7
145.10135	8.7
159.35147	9.2
161.13269	11.4
162.89774	9.7
173.13255	9.3
185.13181	11.8
203.18007	9.5
207.17496	11.4
269.22681	19.0
287.23499	34.3
337.65536	9.3
379.28549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37318	0.9
54.36785	0.9
64.48965	1.2
73.91609	0.9
80.55212	1.0
89.43678	1.2
91.23386	1.0
147.46159	1.1
163.55504	1.1
327.43121	1.3
379.24545	100.0
400.61337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98682	0.5
53.75009	0.5
55.01887	0.6
55.85813	0.5
57.03438	1.1
59.49977	0.6
62.91137	0.5
69.03465	0.5
69.07079	8.9
71.05000	1.0
72.08155	2.2
79.05505	9.9
81.07082	0.9
84.93248	0.5
94.69640	0.6
95.42610	0.6
97.06532	30.5
111.08083	5.1
112.08869	3.1
115.08726	2.0
129.09111	3.7
145.02844	0.8
147.04430	1.0
159.04376	2.4
161.02328	4.9
163.03899	24.6
168.95746	0.5
169.06445	0.7
173.02344	37.4
177.05453	4.9
185.05951	2.4
187.03859	0.8
195.08029	2.0
199.04034	0.8
213.09106	2.7
215.07037	100.0
223.07640	1.2
241.08575	24.8
259.09659	49.8
273.11227	47.8
282.15836	0.8
291.12302	5.9
329.18695	3.8
347.19684	0.6
361.21222	6.6
362.19601	2.8
379.22293	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40345	0.6
57.03428	1.0
62.19192	0.6
65.61948	0.6
69.07075	11.7
69.27304	0.6
72.08145	2.5
79.05491	5.2
84.43881	0.6
97.06537	72.2
111.08063	2.5
113.38203	0.7
115.08687	2.7
129.09120	4.5
132.60249	0.7
145.13945	0.6
153.43402	0.7
159.04372	5.1
161.02342	7.5
163.03905	44.9
173.00983	1.2
173.02351	22.1
185.06035	0.7
199.00435	0.7
215.07034	100.0
241.08580	8.3
247.56021	0.7
259.09708	9.3
273.11243	3.0
291.12280	47.7
329.18558	1.6
335.35745	0.7
347.19626	0.9
361.21329	1.4
362.19647	2.9
379.22290	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51740	0.5
51.22955	0.5
57.07092	0.6
57.84587	0.5
59.43982	0.5
62.35895	0.5
71.56570	0.6
72.08166	5.2
73.45062	0.5
85.02921	0.5
85.06557	0.6
86.09706	1.2
89.10789	1.3
99.08139	0.5
114.09152	0.6
133.06488	3.5
137.06064	0.6
143.08574	0.6
144.08113	7.8
145.08409	3.9
146.08734	2.8
147.08049	0.6
161.05997	7.0
173.05942	0.8
175.07559	7.0
179.07028	100.0
189.05458	2.4
189.12689	0.9
190.06227	0.6
191.03372	0.9
192.04211	3.0
193.04968	3.3
193.08588	11.1
201.12674	0.9
203.07027	1.3
203.10704	3.0
206.05702	2.7
207.06516	6.4
217.12225	8.1
221.08130	0.7
221.11685	11.9
227.10638	1.2
229.12299	1.2
234.99237	0.7
235.13272	18.0
245.11761	3.4
249.11160	9.8
263.06985	4.2
263.12726	8.9
273.11307	3.7
275.13162	0.8
287.60428	0.6
291.12259	71.9
361.21182	2.5
362.19647	1.2
379.17203	2.6
379.22263	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07315	0.6
55.01883	0.6
55.05519	4.4
59.05012	1.1
60.04544	0.6
62.23849	0.6
62.91879	0.6
65.04287	0.6
69.07066	0.7
70.02962	0.8
70.06586	1.4
72.08157	93.6
75.44493	0.7
82.06566	0.7
84.08167	0.9
85.02908	1.1
86.09731	3.1
87.05580	8.3
88.03993	1.0
89.10784	5.0
93.07043	0.8
95.08633	0.7
96.08136	1.0
98.02423	4.2
98.06079	4.0
99.09227	0.8
110.02405	1.1
114.10310	2.8
115.05055	1.1
115.08702	3.6
120.08103	27.3
124.07588	2.7
127.08675	26.5
129.06999	1.0
129.10272	7.3
130.06615	0.9
131.04897	0.8
131.08595	2.6
141.07063	1.0
141.10231	30.1
143.11801	1.4
144.05605	0.7
146.06030	1.5
152.07089	6.4
153.30159	0.7
157.09978	3.2
159.04453	2.8
159.08078	6.4
161.05948	0.9
166.08647	10.7
167.08664	1.0
169.06505	8.4
169.09718	22.0
173.06036	3.2
173.09311	1.1
177.05499	3.5
177.10275	0.9
185.06052	3.5
185.09683	1.7
186.12379	62.2
187.04015	3.7
187.07542	75.9
189.09200	1.0
192.06618	1.2
195.08022	10.6
197.05962	13.1
199.07632	0.8
200.04681	9.9
201.12369	0.8
201.16396	1.1
204.06631	1.6
213.05664	1.5
213.09091	29.2
214.11861	49.5
215.07030	100.0
215.10579	2.7
217.09918	0.8
223.10907	2.9
232.13016	0.7
233.08115	11.0
238.08841	0.8
241.08574	10.9
245.09268	0.9
245.11833	0.6
247.09795	1.1
259.09677	5.4
262.11841	1.3
265.15604	1.1
273.11285	3.6
291.12155	6.0
303.13806	0.9
303.17218	4.4
320.00259	0.8
320.18631	0.8
329.18604	17.9
345.14624	0.8
347.19489	5.1
361.21335	24.2
362.16739	1.4
362.20657	1.0
379.11743	5.4
379.22531	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	379.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41201	0.9
53.87374	1.1
62.53312	1.1
65.83356	1.0
67.05494	1.7
70.06570	2.3
72.04510	5.0
72.08172	10.3
81.07038	1.9
110.09674	2.3
114.09177	38.4
119.08566	2.3
136.06166	2.0
143.93938	1.2
154.28157	1.4
166.04361	12.8
193.28958	1.1
194.87410	1.2
220.09103	1.9
247.15549	2.5
248.12070	4.6
253.11168	7.2
259.15512	2.3
279.12772	12.8
281.14276	7.4
292.13620	13.5
361.20459	15.9
379.21603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1391
Annotation	Syringopicrogenin C
Peak:m/z	Relative Intensity
52.72589	0.1
55.05509	0.1
56.42484	0.1
61.22908	0.1
69.03434	0.1
70.06580	0.2
72.04525	0.1
72.08150	0.5
77.06059	0.1
77.59914	0.1
78.04719	0.5
79.05483	0.6
81.03420	0.2
81.07061	0.3
83.04965	0.2
86.09740	0.1
86.89306	0.2
91.05485	0.6
93.07049	0.3
93.24438	0.1
95.04971	0.2
105.07040	0.3
106.04170	0.2
107.04958	1.3
114.09201	0.2
121.06496	0.3
123.04427	1.1
124.05211	0.3
125.06043	0.2
126.12789	0.2
133.06543	0.3
137.05997	0.2
141.05502	0.2
143.11848	0.2
149.06007	0.8
150.22389	0.1
151.03920	8.4
151.05000	0.4
152.04678	0.3
161.06013	0.8
167.07043	100.0
168.07425	0.8
173.18678	0.1
177.05400	0.1
179.07059	0.3
181.04912	0.3
181.08577	0.7
193.08623	2.8
207.06506	0.5
211.09631	3.1
234.99046	0.2
242.33154	0.1
295.06039	0.3
322.08664	0.2
349.22971	0.2
351.08533	0.6
356.01334	0.1
361.12997	0.3
372.94485	0.2
379.03424	0.3
379.08109	1.2
379.12799	0.2
379.16959	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28754	0.4
59.19800	0.4
62.56720	0.4
65.03944	1.0
65.19048	0.4
67.05476	0.4
68.27032	0.4
68.44255	0.5
69.03416	0.9
72.08138	0.6
75.99056	0.5
76.99062	0.5
79.05492	0.6
82.04218	0.4
85.02906	1.0
87.93130	0.5
91.05458	2.5
95.04991	0.8
97.06524	0.6
102.12522	0.5
103.05436	0.5
105.07038	1.1
107.04984	3.7
107.47190	0.5
109.06475	0.5
119.04913	2.0
121.06493	4.1
124.05168	0.6
125.05993	0.6
133.06479	2.2
136.35393	0.6
137.05957	3.0
147.04422	1.9
148.06113	0.5
149.05948	1.0
151.07549	3.5
153.05455	6.1
161.05986	2.1
163.03918	0.7
164.04648	0.6
165.05466	1.0
167.07037	12.7
167.08430	0.9
171.06503	3.6
173.06017	0.7
177.05339	0.7
179.07014	37.3
181.04956	88.0
181.06387	4.7
181.08411	6.7
185.09531	0.7
191.07083	0.6
192.04167	1.2
193.08612	1.2
195.08017	0.8
197.08040	0.6
198.06815	0.8
207.06522	100.0
209.05991	0.7
213.09085	5.0
216.08818	2.8
223.07539	0.8
225.05396	0.6
226.06244	1.1
238.06007	0.5
241.08606	5.4
245.35030	0.5
247.15472	0.6
258.08835	0.7
269.08008	3.4
273.11237	5.2
286.09055	1.1
301.10666	8.2
302.11615	0.5
318.11072	0.7
329.10175	0.9
329.35516	0.5
333.13324	31.4
361.12869	11.7
379.13733	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	379.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72589	0.1
55.05509	0.1
56.42484	0.1
61.22908	0.1
69.03434	0.1
70.06580	0.2
72.04525	0.1
72.08150	0.5
77.06059	0.1
77.59914	0.1
78.04719	0.5
79.05483	0.6
81.03420	0.2
81.07061	0.3
83.04965	0.2
86.09740	0.1
86.89306	0.2
91.05485	0.6
93.07049	0.3
93.24438	0.1
95.04971	0.2
105.07040	0.3
106.04170	0.2
107.04958	1.3
114.09201	0.2
121.06496	0.3
123.04427	1.1
124.05211	0.3
125.06043	0.2
126.12789	0.2
133.06543	0.3
137.05997	0.2
141.05502	0.2
143.11848	0.2
149.06007	0.8
150.22389	0.1
151.03920	8.4
151.05000	0.4
152.04678	0.3
161.06013	0.8
167.07043	100.0
168.07425	0.8
173.18678	0.1
177.05400	0.1
179.07059	0.3
181.04912	0.3
181.08577	0.7
193.08623	2.8
207.06506	0.5
211.09631	3.1
234.99046	0.2
242.33154	0.1
295.06039	0.3
322.08664	0.2
349.22971	0.2
351.08533	0.6
356.01334	0.1
361.12997	0.3
372.94485	0.2
379.03424	0.3
379.08109	1.2
379.12799	0.2
379.16959	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10261	0.4
57.03432	0.6
67.05487	0.6
67.98042	0.4
69.03423	0.8
70.06587	1.9
72.08172	3.7
74.89395	0.4
83.04999	0.5
86.09714	0.9
89.10783	0.5
95.04936	0.8
95.81169	0.4
97.02859	0.7
98.06050	0.8
107.08586	0.6
109.10146	0.6
110.05988	0.5
116.07125	0.5
121.06528	0.7
130.05009	0.6
137.05928	0.7
138.05441	0.7
151.07550	0.5
153.05495	0.8
153.09143	0.4
162.05507	1.8
166.08751	0.6
167.07007	2.7
167.94208	0.4
177.05455	3.1
178.05049	3.2
179.07042	7.1
181.04970	18.2
181.06416	0.9
181.08551	0.9
184.07614	0.7
185.06047	0.6
187.05029	1.9
195.08026	2.5
201.10274	3.3
202.08656	0.5
207.06528	17.2
211.08612	0.7
212.07019	0.6
213.06996	0.7
213.08958	6.4
225.10133	0.7
226.08595	0.8
227.08105	3.2
229.09723	29.6
230.08102	2.0
239.08102	0.6
240.06572	1.0
241.08484	1.5
245.09386	0.6
247.10789	0.7
251.08058	0.6
253.09799	3.6
254.08122	9.1
255.07649	2.5
255.11264	0.5
256.08163	1.5
257.09216	20.6
259.07098	4.0
264.06537	0.9
265.15607	0.8
267.07364	0.5
269.09283	5.7
270.07706	0.9
271.10782	1.7
273.11230	0.7
274.09442	2.1
275.10272	5.1
281.09253	2.2
282.07684	0.9
285.08762	3.6
287.10214	0.5
291.74838	0.5
297.08746	10.7
299.10309	1.9
301.10580	2.0
303.09866	3.4
315.09781	16.3
325.08212	0.9
326.06412	0.5
333.10739	6.3
333.13544	4.7
343.09198	2.5
347.19333	0.5
361.10129	14.7
361.21146	2.5
379.11356	100.0
379.22034	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	378.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80197	0.6
52.85439	0.5
56.05041	1.1
57.07078	2.5
58.06606	5.5
59.65152	0.5
60.32322	0.5
63.98875	0.6
71.08628	1.0
72.08128	2.8
72.22603	0.5
82.46893	0.5
85.50777	0.5
86.06071	2.9
87.04446	1.2
89.06034	1.1
94.90443	0.7
118.08645	4.3
130.08655	0.9
132.10207	23.6
148.09654	3.1
170.34903	0.6
206.13838	2.5
210.22166	0.6
272.25922	0.8
286.27399	67.8
286.78824	0.6
360.31223	2.5
378.32129	100.0
385.37183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16254	0.3
56.05028	2.0
57.07076	1.9
58.06367	0.3
58.06609	6.3
60.04518	0.5
68.05025	0.6
70.06589	0.8
71.08616	0.8
72.08157	2.9
73.02916	0.5
86.06068	3.0
87.04442	1.6
88.07607	0.5
89.06026	0.7
100.07595	2.1
118.08635	4.0
130.08620	1.8
132.10202	24.7
144.10201	0.4
148.09673	1.7
206.13889	2.3
210.13374	1.7
210.22192	1.5
212.23582	0.5
226.25360	0.4
228.23283	0.5
265.73758	0.4
272.25928	0.5
274.27689	0.4
279.38229	0.4
286.27396	61.5
298.27396	0.6
354.12119	0.4
360.31113	2.1
378.32132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71691	0.4
55.79151	0.4
66.20726	0.5
70.88531	0.5
72.07763	0.6
72.08163	16.9
73.04026	0.7
74.06078	1.2
84.27358	0.5
90.86687	0.6
97.07646	2.4
114.10294	46.7
115.08705	6.3
120.04538	0.6
121.35403	0.5
123.04399	0.6
124.07601	0.6
137.71201	0.5
154.03291	0.8
162.05490	10.5
168.04745	0.7
178.11372	0.5
188.07065	26.7
195.05896	1.1
206.08136	19.4
212.10666	0.7
220.09694	0.7
228.08952	0.7
229.09798	3.5
229.13246	4.8
230.08125	14.2
241.06442	1.2
242.10474	0.9
246.09499	1.2
248.09224	2.2
257.12854	6.6
275.13876	1.0
289.10083	0.7
291.11584	0.8
300.17093	9.5
301.15497	18.8
318.18103	2.9
319.16547	7.2
336.19327	0.7
343.17606	11.6
361.18597	0.7
378.14944	11.0
378.21365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59151	0.1
53.28454	0.1
54.08789	0.1
55.05500	0.2
58.38599	0.1
59.43201	0.1
61.05291	0.1
67.05495	0.5
69.07073	0.2
71.04987	0.2
72.08185	0.2
79.05494	0.5
81.03429	7.0
81.07056	0.8
83.04999	0.3
83.08627	3.6
84.04508	0.1
85.02908	0.2
91.05480	0.8
93.07037	0.7
95.04968	3.0
95.08563	0.3
97.02927	0.2
97.06534	0.2
97.10161	0.2
99.08098	0.2
105.07048	1.0
107.04982	0.6
107.08607	0.3
109.10120	0.1
111.08096	1.3
114.09155	0.2
119.03612	0.2
119.08604	1.2
121.10153	0.3
129.07002	0.6
131.08551	0.8
133.06483	0.2
133.10097	1.2
136.06194	100.0
137.09647	0.2
144.08110	0.3
145.08434	0.7
147.08063	0.3
147.11671	1.5
149.09637	0.8
157.10132	1.9
159.45622	0.2
162.05466	0.2
164.40758	0.1
174.07809	0.3
175.11188	2.1
193.12245	6.1
215.07031	0.1
225.14777	1.1
234.63594	0.1
299.40262	0.2
310.16440	0.3
330.04364	0.2
360.20377	3.5
378.21378	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	378.206
Annotation	Cryptopleurine
Peak:m/z	Relative Intensity
60.53415	0.2
61.01159	7.5
70.06599	53.2
72.08154	0.9
74.06086	0.3
83.37754	0.2
84.04531	0.9
84.08155	0.4
86.09715	6.4
87.00835	0.2
88.07643	0.8
98.06057	0.2
112.02194	2.3
114.09172	0.3
116.07111	1.1
118.06882	100.0
120.06581	0.4
120.08176	0.3
121.06507	0.2
129.05502	0.2
129.10271	0.2
130.03235	2.2
130.05006	0.4
132.04779	1.6
186.13164	0.9
215.13983	1.0
231.15254	17.4
233.14975	1.4
258.07513	0.2
259.14758	15.9
332.91422	0.2
360.19443	3.5
378.20584	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52213	0.5
56.05037	0.5
60.32121	0.6
70.06582	1.3
72.08147	1.2
74.00664	0.8
80.05862	0.6
84.08133	1.5
88.03993	1.0
96.08133	0.8
96.72109	0.6
98.07181	13.0
120.01154	7.5
120.04463	3.3
122.06018	4.0
124.07596	5.9
126.09138	0.8
134.06018	1.0
138.09128	4.6
143.06903	14.3
152.01656	0.8
154.03206	8.6
154.59006	0.6
156.04732	3.7
165.10294	1.1
168.04749	6.8
175.96416	0.6
180.04774	3.4
184.11234	1.3
186.09013	0.7
186.11455	0.8
187.08684	0.7
188.10710	0.8
195.05870	13.1
197.08400	1.0
200.09367	1.1
201.10234	2.6
201.13905	5.0
212.10710	11.1
214.10643	0.8
214.12466	2.2
215.11874	2.3
219.07233	1.3
222.11223	3.0
227.08258	0.8
228.08836	6.8
229.09926	5.7
229.13347	38.8
230.11783	3.1
240.10155	3.9
241.06406	13.6
242.10352	9.1
243.11346	6.4
244.07947	3.6
244.11961	5.0
245.12863	1.3
246.09470	12.6
252.80511	0.6
253.10443	4.9
255.11415	0.8
257.12827	60.7
259.14133	0.8
261.10553	2.0
262.08939	2.8
269.12643	0.7
270.09482	1.5
272.11121	0.7
274.08878	1.1
289.10037	13.6
291.11691	6.1
293.32785	0.6
298.09030	0.9
300.10486	1.2
315.11667	3.8
317.13306	4.8
333.12604	2.9
358.86374	0.7
378.14819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77152	0.4
57.02834	0.4
57.17323	0.5
60.08173	16.4
62.06568	0.4
66.88036	0.5
68.02621	0.7
83.04948	1.8
85.97011	0.6
124.02162	2.1
127.03240	11.2
127.04083	0.6
135.04428	1.9
151.03192	0.8
152.01660	2.4
153.01138	0.7
161.02325	12.4
161.05956	0.9
181.04933	0.6
181.75478	0.5
182.06075	1.2
185.09816	14.6
186.10573	3.5
188.03409	0.8
192.06587	1.2
193.05009	1.0
193.97131	0.5
200.07047	5.3
201.07855	5.5
202.04968	10.1
202.08603	1.1
210.05525	1.0
216.10255	0.8
218.08116	0.8
220.00629	2.0
220.04228	0.5
228.04294	1.0
228.06549	29.2
229.07430	1.9
234.07608	11.6
241.04242	0.9
245.03783	3.7
246.02065	0.9
254.06873	2.8
259.01633	0.8
259.05350	13.1
260.06497	0.6
260.09216	3.3
269.03738	1.1
287.04846	54.6
319.07462	16.8
378.14813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.1
59.53219	1.0
61.02924	1.9
61.79916	1.0
62.58602	1.2
69.03426	4.9
70.06617	2.6
70.28180	1.0
72.08173	1.8
72.77488	1.1
81.03426	2.3
84.08127	1.9
85.02901	20.7
91.03951	1.5
91.05486	13.8
91.49090	1.1
94.06606	1.2
95.04996	11.1
95.06081	1.5
97.02881	5.3
107.04914	1.4
109.02859	1.3
113.96335	1.0
119.04940	24.8
123.04433	21.8
127.03934	4.7
130.05023	1.1
131.04916	1.8
135.04419	2.3
137.05988	51.2
140.04691	84.3
145.04971	2.7
151.07535	29.5
155.07037	61.3
155.08311	2.4
157.09767	1.1
163.03911	18.7
166.07249	1.9
167.03362	2.2
167.18181	1.2
167.69649	1.0
180.08673	9.1
181.05005	16.0
181.08594	52.8
199.06029	100.0
231.11250	1.1
249.53624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73100	0.6
61.02919	3.0
67.05511	1.2
69.03421	3.3
70.06603	8.6
71.04968	0.7
71.08646	0.8
72.08183	1.2
79.05516	0.7
81.03432	1.6
84.04506	0.7
84.08174	0.8
85.02901	16.6
87.04468	0.9
88.11271	6.4
88.46613	0.8
91.03921	0.7
95.04978	12.7
97.02902	5.9
102.05548	0.9
108.57895	0.8
109.02866	1.5
121.02905	0.9
123.04427	21.0
124.18525	0.8
127.03919	4.6
130.08655	1.0
140.04684	92.3
141.86259	0.7
142.12450	0.7
145.04976	4.1
148.05956	0.7
152.10703	1.5
153.05429	1.6
155.07030	61.2
164.10669	1.5
167.03394	3.6
169.96634	0.7
170.11774	1.5
173.08145	1.1
180.08675	12.3
181.04959	14.1
199.06015	100.0
207.80042	0.8
216.12350	0.9
274.12894	0.9
294.13260	1.0
342.15579	1.3
360.16388	9.1
378.21060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80122	7.4
53.19432	7.9
55.05523	6.6
57.07084	8.3
65.82140	7.5
67.05489	27.7
69.07092	8.6
79.05492	16.7
81.07057	30.4
82.12606	8.9
91.05452	9.3
93.07056	35.8
95.08620	11.0
105.07058	13.2
107.08608	8.3
121.10192	31.0
131.08585	14.0
133.10161	18.9
135.11662	13.8
144.08125	80.9
145.10153	18.4
147.11691	12.8
159.11649	15.4
173.13251	11.7
201.12907	9.0
204.77403	8.8
208.20667	7.0
223.12071	8.1
267.21069	17.4
273.12280	9.5
285.22058	41.8
319.60724	7.5
325.52158	9.5
336.20963	19.0
341.82492	7.1
354.21915	66.0
366.84015	7.6
377.13464	11.6
377.22610	100.0
377.27170	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27350	6.7
58.85281	7.6
66.01464	8.3
67.05508	37.5
69.07055	8.4
71.08627	48.3
72.15525	7.7
79.05498	13.1
81.07053	16.4
87.04481	84.0
88.04801	12.2
91.05480	10.7
93.07101	26.7
99.08079	11.7
119.08591	10.7
135.04556	8.7
144.08064	18.1
145.10104	10.2
151.18271	8.0
159.11772	12.9
161.13226	8.5
162.81923	7.9
171.11685	35.2
219.17545	8.4
285.22095	10.7
292.04007	8.0
336.15433	31.3
336.19208	17.1
377.26804	100.0
377.31158	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2689
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
53.29034	7.5
67.05514	35.0
71.08640	69.8
71.95068	9.9
79.05486	15.4
81.07070	19.3
91.05447	14.8
92.32799	8.7
93.07042	17.8
99.08080	38.9
99.41439	8.8
117.06994	12.1
119.08549	10.0
121.10215	9.2
132.52373	9.9
144.08067	36.0
145.10120	11.1
171.11685	20.3
303.23056	10.9
377.26950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.269
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
57.03440	3.4
64.12245	2.5
67.05511	25.0
69.07076	6.0
70.86672	2.6
79.05479	6.4
81.07064	32.6
91.05486	22.2
93.07040	19.6
95.08620	20.2
105.07030	11.6
107.08586	19.0
109.10217	9.8
117.07042	6.0
117.93945	3.1
119.08583	25.0
121.10146	18.0
123.11715	4.6
129.07030	5.0
131.08589	22.0
133.10114	23.7
135.11697	15.6
143.08571	6.6
144.08105	4.2
145.10164	21.3
147.11700	14.5
149.13313	5.8
157.10150	5.4
159.11746	16.7
161.13257	16.7
169.10124	4.2
171.11630	3.7
173.13272	15.1
175.14836	18.3
183.11703	6.4
183.47777	3.1
185.13319	5.0
187.14804	13.8
201.16406	16.0
211.14839	4.1
225.16550	4.2
241.19498	3.9
243.21227	3.9
267.21097	18.3
285.22137	33.2
359.25986	6.9
377.26877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02467	2.0
51.50771	2.1
57.03413	2.5
67.05505	13.0
69.07072	3.6
79.05504	11.9
81.07067	14.8
85.06557	3.9
91.05505	10.6
93.07054	12.3
95.08607	13.3
95.09244	2.1
105.07027	4.3
107.08572	5.6
109.10169	5.3
117.06956	4.2
119.08593	13.3
121.10135	11.9
123.11723	4.2
131.08563	14.4
133.10124	12.1
135.11707	11.5
137.09616	2.7
143.08699	3.2
144.08157	2.6
145.10168	14.1
147.11696	5.3
149.09584	2.4
149.13332	2.8
157.10057	3.8
159.11696	12.8
161.09573	3.0
161.13268	9.8
171.11729	9.3
173.13231	5.5
175.14764	4.5
183.11681	3.4
187.14899	3.5
197.13249	3.2
199.14789	3.6
201.12651	4.6
201.16371	11.3
211.14830	3.6
225.16536	3.0
257.18848	2.4
267.21054	20.4
285.22144	41.6
377.26932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2688
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
51.04551	5.9
52.48783	6.1
58.67785	7.8
67.05501	9.3
71.08596	8.7
78.09464	7.2
81.07050	10.6
81.57018	7.1
104.56613	7.2
139.37103	8.2
144.08109	100.0
145.10040	13.8
169.51868	8.0
173.13223	9.3
231.47087	8.9
237.81313	8.4
251.40945	9.7
274.56552	8.0
307.07925	7.7
368.69971	9.1
377.26733	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07732	5.1
54.76607	4.8
55.05515	5.0
57.03432	8.8
57.46690	4.6
63.44977	5.1
67.05509	10.7
69.07083	5.3
71.08627	25.0
77.28772	4.8
78.73681	5.1
81.07040	10.6
82.29479	5.6
88.03996	11.0
91.05469	11.3
93.07013	8.3
95.08597	8.6
95.38999	5.4
99.08101	11.3
105.07039	11.2
119.08595	10.6
121.10148	6.6
131.08502	6.6
133.10130	9.6
144.08052	70.7
145.10182	8.6
147.11647	9.5
159.11638	6.8
171.11652	23.7
187.11284	5.4
213.44325	5.0
239.58220	6.3
241.64240	5.0
243.21054	5.7
276.00983	6.2
285.22107	12.3
303.23172	9.6
372.78522	6.8
377.22949	11.6
377.26877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.3
59.53556	0.3
60.78145	0.3
61.37126	0.3
61.42398	0.3
65.17786	0.3
67.05515	0.4
71.08631	0.4
81.07026	0.6
87.47758	0.3
89.03915	0.7
91.05486	0.5
95.08595	1.9
109.10124	0.5
117.03381	4.1
144.08130	2.6
145.02858	42.8
145.10132	0.4
149.05989	1.8
177.05478	100.0
186.05565	0.6
271.97571	0.4
377.26886	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	377.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96726	0.6
69.07059	0.7
75.01283	0.7
77.72243	0.7
86.89332	0.9
95.08585	1.0
109.10116	0.8
117.03372	4.1
121.87064	0.7
140.57726	0.8
144.08107	10.1
145.02847	44.9
145.10168	0.8
149.06052	1.8
177.05469	100.0
212.78252	0.8
216.51614	0.7
225.54123	0.7
273.12308	0.9
355.47165	0.8
377.22989	15.2
377.27005	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	377.23
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83422	1.8
55.47108	1.9
64.81961	1.9
65.35358	2.2
66.82820	2.3
79.02516	2.1
81.07003	2.4
114.91221	2.2
132.26877	2.2
144.08063	31.1
147.04408	2.8
163.99442	2.2
344.45129	2.4
345.15179	10.6
361.24280	2.3
377.08774	2.7
377.22894	100.0
377.26999	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	377.2319
Annotation	Sarcophytonolide B
Peak:m/z	Relative Intensity
53.45452	0.6
59.05931	0.7
60.04534	0.9
70.06591	3.2
72.04502	3.0
72.08163	7.2
79.97584	0.6
84.07681	1.1
84.08153	25.9
91.05486	0.9
98.06093	0.8
98.09727	1.6
105.07058	0.7
107.08578	1.1
114.09171	31.9
116.41003	0.6
125.10719	0.8
127.08637	5.3
131.11826	0.6
133.10155	1.3
143.11812	37.9
144.08098	27.7
151.91441	0.7
233.44730	0.7
263.21271	1.1
270.88629	0.9
270.91513	0.7
273.12448	4.0
274.89581	0.6
291.13266	1.3
335.20987	17.7
341.25369	1.3
360.20526	1.1
377.23166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95956	0.2
57.03436	0.5
60.34889	0.2
75.04479	0.5
75.53065	0.3
77.19804	0.2
95.04953	1.4
95.44765	0.3
95.63232	0.2
107.04958	7.5
107.05640	0.4
112.70020	0.2
113.72857	0.2
126.21948	0.2
135.08055	100.0
144.08092	7.3
147.04382	0.5
147.70998	0.3
147.72371	0.2
149.57715	0.2
161.09624	1.0
188.05310	0.2
191.10681	0.4
209.11725	66.2
213.09058	2.9
214.09412	4.2
228.05368	0.4
250.58223	0.2
255.11189	1.0
273.12366	1.1
287.12833	0.4
288.13120	3.5
289.10818	0.4
291.13257	0.4
301.11682	1.0
362.16794	8.7
377.13504	0.3
377.19214	0.5
389.09903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1601
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
55.01881	1.6
55.05534	0.7
65.00951	0.6
69.03439	0.9
69.07069	1.3
69.12036	0.6
70.06593	0.8
71.01344	1.1
72.08134	0.7
73.88527	0.6
79.05524	2.6
79.09466	0.6
81.03411	0.6
85.02905	3.1
91.05490	1.4
91.60775	0.6
92.17889	1.3
93.06995	1.0
95.04979	0.8
95.08599	0.7
97.06541	8.5
102.05611	0.7
103.05479	5.9
105.03380	1.4
105.07043	3.8
107.04969	24.0
111.04430	0.9
114.09159	1.6
114.10301	0.8
115.05483	1.0
117.07034	1.5
119.08575	0.8
121.06512	4.9
123.04463	0.9
125.05984	3.2
128.26242	0.7
130.05006	4.3
131.04958	6.5
133.02841	1.4
133.06517	2.9
135.04440	5.7
135.08029	5.5
136.20918	0.7
137.05969	8.4
138.06772	1.0
141.05525	1.1
144.08101	100.0
147.04443	4.2
149.05977	6.5
150.06761	1.0
151.03912	36.5
151.07582	1.0
153.05504	6.1
161.02344	0.8
161.05989	6.3
161.09575	1.7
163.03914	4.6
163.07544	45.7
165.05487	2.6
167.07048	2.7
175.07529	1.3
177.05489	3.0
178.06258	15.3
179.07068	1.5
181.08603	18.2
182.09412	3.0
189.05466	0.9
189.09094	3.3
193.05014	4.2
195.06509	7.6
196.07359	6.2
201.13931	1.2
202.12386	1.1
207.10185	8.2
235.09599	0.7
245.07996	1.2
245.12935	1.6
273.12338	14.6
283.09784	1.0
289.10748	6.7
291.13489	5.1
329.13925	4.7
341.13751	0.8
345.19363	4.8
347.14847	1.0
359.15005	3.8
360.17691	0.7
365.62085	0.8
377.12708	4.0
377.16357	3.3
377.20453	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	377.1457
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03942	0.8
54.33052	0.3
57.03454	6.8
59.04976	0.4
61.02923	2.3
69.03439	11.9
71.01344	3.3
71.05008	3.4
73.02901	1.7
75.04473	2.6
79.02786	0.3
81.03426	4.0
99.04474	6.1
101.34287	0.4
117.05460	0.7
172.08699	12.1
174.10191	0.5
190.09727	0.9
200.08180	5.0
216.07690	8.9
218.09219	0.5
243.08772	82.9
244.07121	1.7
316.13068	0.7
317.32703	0.4
327.52194	0.4
351.90152	0.4
359.13571	2.4
377.14554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85084	0.2
55.19302	0.2
57.92021	0.2
60.04545	0.2
60.46756	0.2
61.05864	0.2
63.85875	0.2
70.06596	0.5
71.70053	0.2
72.04510	0.4
72.08157	1.3
84.08153	4.7
85.02926	2.3
85.08486	0.2
86.09743	0.3
102.05581	0.3
114.09161	6.4
115.08753	0.3
117.07051	0.3
127.08665	0.5
130.05006	4.7
131.03369	0.5
131.45776	0.2
140.07065	0.2
143.07333	0.4
143.10693	0.5
143.11815	12.6
144.08096	100.0
149.09605	0.3
161.10754	1.1
217.25735	0.2
223.07625	0.2
227.11798	1.0
239.15140	0.8
245.12849	2.3
248.15805	0.2
250.23657	0.3
273.12338	15.7
277.12424	1.0
291.13391	6.3
306.27426	0.3
335.19104	0.4
339.73013	0.3
359.12286	1.6
360.18536	0.3
368.69318	0.3
377.13718	6.9
377.21283	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	377.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53231	0.2
55.11013	0.2
61.62994	0.2
72.08156	0.2
79.64693	0.2
85.02924	1.8
91.05504	0.2
102.05518	0.2
117.07031	0.4
130.05013	4.5
131.03392	0.9
132.08055	0.3
144.08096	100.0
145.02841	0.2
161.10732	1.1
163.03914	0.2
170.09685	0.4
170.53256	0.2
177.05438	0.8
227.11826	0.5
231.17332	0.2
245.12881	2.4
273.12335	15.8
291.13443	5.9
323.47778	0.3
351.43954	0.2
359.12402	1.6
377.13455	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	377.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92620	0.2
57.68994	0.2
61.46400	0.2
72.08154	0.3
72.45312	0.2
81.07021	0.4
84.42349	0.3
85.02914	1.8
89.61788	0.2
117.06995	0.5
125.79835	0.3
130.04991	5.1
131.03423	1.0
143.07452	0.4
144.08083	100.0
147.04390	0.4
161.10814	0.4
163.03773	0.4
196.19040	0.3
227.11743	1.1
228.10048	0.3
245.12781	2.7
260.16391	0.3
273.12317	17.6
291.13345	6.1
350.16788	0.2
359.12473	1.6
377.13358	7.0
377.18433	0.3
377.20413	0.5
396.95746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95710	0.1
57.10915	0.1
63.42257	0.1
63.92799	0.1
69.07072	0.2
78.68426	0.2
81.46548	0.1
84.41920	0.1
85.02909	1.4
102.05524	0.4
107.04955	0.2
117.07041	0.7
127.04020	0.2
130.05005	4.6
131.03407	0.9
132.08046	0.2
143.07338	0.3
144.08096	100.0
161.10759	1.2
227.11816	0.7
228.10159	0.3
234.11510	0.2
245.12842	2.3
273.12338	16.4
283.78503	0.2
291.13388	6.2
359.12427	1.7
377.13495	6.7
377.20630	0.2
381.99408	0.2
396.81918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31942	0.1
81.61563	0.2
85.02900	1.6
102.05541	0.3
114.09107	0.3
117.07016	0.8
123.05657	0.2
130.04990	4.9
131.03383	0.9
132.08133	0.2
144.08089	100.0
161.10744	1.2
189.39929	0.2
227.11801	0.4
236.51085	0.2
245.12830	2.1
273.12320	16.9
291.13364	6.1
359.12247	1.8
377.13406	8.4
377.20996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76122	18.7
62.25032	16.0
79.15345	15.8
139.90150	22.0
144.08128	29.2
165.32736	20.7
197.01247	30.2
220.86258	18.6
235.24008	18.6
253.07520	100.0
279.05374	16.7
297.06534	79.4
377.12851	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1233
Annotation	5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone
Peak:m/z	Relative Intensity
50.79009	0.7
53.66900	0.6
53.96214	0.8
54.43818	0.6
54.58211	0.7
56.57864	0.9
67.82750	0.8
73.20708	0.7
80.96272	0.7
85.28657	0.8
91.05499	1.3
95.04994	1.7
107.04963	1.4
114.09174	1.1
121.06516	7.1
123.04409	3.4
124.05183	0.9
130.05000	3.6
131.04932	3.5
134.03700	1.6
135.04457	1.3
137.05980	2.0
143.11743	1.7
144.08099	60.7
149.05989	7.7
151.07640	0.8
152.04816	1.1
153.07001	1.2
155.06921	2.4
163.02701	1.1
163.03900	7.0
165.05516	12.0
167.07043	100.0
175.03947	1.5
177.05475	5.6
178.02586	1.2
181.04977	5.6
181.06508	7.1
183.08075	7.1
191.03438	1.2
193.05040	4.3
196.05281	1.0
197.05870	0.9
205.04942	6.0
209.05974	3.4
211.07614	8.5
226.06297	4.8
237.05409	1.7
239.07117	1.8
241.08597	5.2
245.12950	1.3
251.03482	1.3
251.06801	0.8
254.05696	3.5
255.06616	4.4
269.08057	8.8
271.06110	3.1
273.12427	11.0
279.06644	1.4
283.06003	1.3
286.08392	1.2
287.09247	2.0
291.13409	4.7
295.05801	1.3
297.07547	4.3
299.05652	1.2
313.06992	3.7
314.08075	0.9
315.08795	6.8
329.10205	33.0
332.08948	30.2
341.10315	1.3
347.11282	51.2
359.11166	16.0
377.12378	13.2
377.20895	5.1
382.54153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1235
Annotation	5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone
Peak:m/z	Relative Intensity
53.40006	0.8
53.94792	0.8
61.97316	1.0
64.09528	1.0
70.06586	6.1
72.08147	7.1
88.25362	1.1
91.05479	6.9
93.00163	1.1
95.04958	5.2
97.02903	1.6
103.05428	1.9
107.04967	12.2
110.04790	1.1
119.04934	4.1
119.43169	1.2
121.06506	57.3
123.04462	9.0
131.04921	6.9
132.05710	6.4
134.03653	13.3
135.04385	2.2
137.05965	4.5
140.04730	2.2
145.02835	1.3
147.04390	6.5
149.04776	2.5
149.05981	78.2
151.03906	5.3
153.05521	1.5
155.06998	8.5
160.05182	1.1
160.96613	1.1
161.05978	2.5
163.03915	9.2
165.05525	10.0
165.06804	1.6
167.07030	45.9
175.03917	17.3
177.05492	13.8
178.02606	46.3
178.04102	2.0
178.97902	2.5
179.07014	4.1
180.07816	18.8
180.99457	2.7
181.04982	2.6
181.06432	1.9
181.08611	2.2
182.09427	2.3
183.08049	2.4
191.07014	1.8
192.07840	10.3
193.04962	100.0
194.97375	4.3
200.43690	1.1
205.04967	11.4
207.06538	1.5
208.99025	7.8
209.06021	2.6
209.08046	1.5
210.06731	1.6
210.08882	1.3
211.07523	4.5
220.51892	1.2
223.00545	12.9
223.05908	11.1
238.06323	1.3
239.07066	1.5
241.08757	2.3
250.99976	4.5
252.07921	2.0
253.08693	1.4
254.05940	1.5
255.06425	2.1
269.01141	4.9
269.08142	4.5
274.01636	10.8
281.07843	2.2
283.05997	2.2
286.08585	1.9
292.02728	6.6
297.07681	1.9
298.08447	1.5
313.07153	1.1
313.10843	2.6
315.08594	2.5
327.08572	6.8
329.10132	24.8
332.08932	6.9
336.01645	5.5
341.10220	9.7
345.09784	1.5
347.11276	19.8
359.11252	58.0
377.12311	25.3
377.17395	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	377.1236
Annotation	5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone
Peak:m/z	Relative Intensity
61.50754	0.6
65.37192	0.8
66.56007	0.9
69.93883	0.7
72.08138	1.2
79.05494	1.1
91.05466	1.6
92.18416	1.0
95.04986	1.8
107.04984	1.6
107.77481	0.9
110.07188	1.3
119.04916	1.7
121.06505	6.9
123.04427	3.3
135.04440	1.8
137.05966	1.5
140.04674	1.1
147.04411	0.9
149.05952	6.6
152.04671	1.3
153.06976	0.9
155.07045	1.7
161.06035	1.1
163.03873	8.6
165.05478	11.3
165.07014	3.8
167.07039	100.0
177.05527	6.0
181.04942	4.4
181.06496	4.4
183.08083	5.3
191.03389	1.6
193.04936	3.4
194.07173	0.9
204.31392	0.9
205.05006	5.7
205.97639	0.9
209.06000	5.6
210.06787	1.2
211.07524	6.6
213.09100	1.2
226.06285	3.4
227.07022	1.4
237.05305	1.4
239.07082	3.4
241.08626	5.4
243.10275	1.0
254.05733	4.6
255.06516	3.6
266.05301	1.0
269.08029	9.4
270.08847	1.0
271.06137	1.7
282.05295	1.1
286.08380	5.3
287.09094	1.8
297.07565	4.0
298.08588	0.9
299.05566	1.0
313.07074	4.5
313.10471	1.1
314.07608	1.8
315.08755	6.4
327.08511	1.3
329.10226	34.5
332.08887	32.9
341.10220	1.4
347.11264	54.4
359.11237	18.2
377.12219	7.9
377.19513	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	377.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18199	0.7
59.05759	0.7
69.07046	0.9
74.87025	0.8
79.05521	1.0
84.22160	0.7
91.05464	3.3
95.04974	3.4
97.02873	6.4
103.05472	5.0
106.66129	0.8
107.04977	2.0
109.02855	1.9
119.04952	1.3
121.06503	8.8
123.04418	3.6
127.03917	1.8
131.04941	1.2
134.03685	1.2
135.04457	1.9
137.06010	4.3
140.04712	1.0
147.04411	13.1
149.05974	7.1
154.95546	0.8
155.07007	1.7
157.06541	0.9
161.05989	1.4
163.03914	8.7
165.05476	11.4
165.06889	2.9
165.58504	0.9
167.07030	100.0
173.06017	0.9
175.03880	1.7
177.05449	6.6
181.04947	4.6
181.06512	7.4
183.08043	6.7
191.03441	3.2
193.04950	4.6
198.06686	1.4
203.07051	1.1
205.05000	3.8
209.05978	5.7
211.07518	9.4
225.08939	0.9
226.06250	4.6
227.07011	1.3
237.05556	2.1
239.06900	1.1
240.07703	1.4
241.08665	5.1
251.06854	1.2
254.05855	4.4
255.06516	3.8
267.02979	1.2
269.08105	10.8
271.06052	2.0
282.05203	1.3
286.08304	4.6
287.09106	5.0
297.07639	4.5
313.07129	3.5
314.07941	1.5
315.08640	10.5
327.08630	1.1
329.10190	32.8
329.13995	1.5
332.08917	28.5
341.10165	1.9
341.43048	0.9
347.06992	2.0
347.11255	62.2
359.11182	17.4
377.12390	13.9
400.54742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1082
Annotation	capsazepine
Peak:m/z	Relative Intensity
53.03968	0.4
55.01879	0.5
57.03434	0.5
58.84639	0.3
60.10346	0.2
61.02937	0.5
65.28283	0.3
68.02640	0.4
68.99765	0.3
69.03435	8.4
70.06589	0.4
72.08152	0.6
73.02919	0.6
81.03439	4.0
81.26502	0.2
83.04967	1.9
85.02911	13.2
85.03426	0.4
86.09706	1.7
87.00829	3.9
97.02899	30.2
99.04452	2.0
103.03982	0.3
105.01875	2.6
108.98257	0.3
109.02878	4.0
111.04446	9.1
112.05202	1.3
122.32602	0.3
127.03928	8.3
129.05484	100.0
145.04974	1.3
147.02872	0.3
159.02887	2.2
171.24506	0.3
185.74438	0.3
231.05054	1.4
377.11337	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	376.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.0
62.82533	2.9
63.81293	2.5
67.05509	34.6
70.06557	2.4
71.05000	43.7
71.08625	12.6
79.05495	5.3
81.07066	17.0
83.08631	13.6
85.06571	2.6
91.05456	3.7
92.18436	2.6
93.07011	4.4
95.08603	5.3
97.06482	3.4
97.10177	21.5
98.95664	3.3
99.08119	4.1
103.09528	2.6
107.08572	6.4
109.10171	64.4
119.08561	5.3
123.11732	4.5
125.09631	21.7
126.79990	2.9
148.60358	3.3
155.10695	41.1
155.14366	16.6
173.11732	55.3
181.66263	3.2
187.13301	100.0
203.12793	13.7
277.21616	17.3
291.23151	5.3
302.61801	3.0
309.24271	18.1
353.21689	10.9
362.08328	3.1
382.58200	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	376.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60804	4.8
55.05517	9.5
56.28644	5.0
57.85001	5.6
64.27595	5.7
66.19140	5.7
67.05508	27.7
70.62405	5.6
71.04993	100.0
71.08656	15.5
72.59488	5.7
81.07074	49.3
83.08624	6.6
85.00920	5.9
93.07040	28.6
95.08595	34.0
97.10189	28.6
99.08088	9.2
107.08578	8.3
109.10167	38.1
119.08563	6.4
125.09667	27.2
135.11702	13.4
146.09940	5.9
149.13278	14.0
151.11200	10.3
155.10652	7.9
159.11690	32.0
173.11734	24.8
187.13293	34.5
203.12819	9.3
241.18002	99.7
277.21722	15.3
309.24432	19.6
376.25415	7.7
377.35553	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	376.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	18.3
59.48599	0.5
60.74776	0.5
65.74240	0.4
91.75884	0.5
93.86739	0.4
100.18932	0.6
126.05526	2.2
163.84024	0.6
184.65623	0.5
209.12869	12.0
210.11273	1.2
218.12848	4.1
219.11391	1.9
275.17596	4.8
292.20197	13.5
293.18610	10.1
302.18631	23.9
319.27722	0.5
348.85904	0.5
358.24976	0.7
364.83606	0.6
376.25952	100.0
394.26938	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	376.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86154	0.4
56.70381	0.4
60.05634	0.5
69.03430	0.7
70.05927	0.5
70.06579	2.9
71.05003	0.5
72.04501	2.1
72.08152	6.9
74.96805	0.4
76.22071	0.4
78.04969	0.4
79.05509	0.6
80.05025	0.5
81.03411	1.9
81.07062	0.9
83.04984	0.7
84.04501	0.5
84.05623	5.5
84.08150	20.4
86.09714	4.8
89.97527	0.4
93.07068	0.8
95.04969	1.0
95.08627	0.8
97.06523	0.6
98.06048	1.8
99.08081	1.0
103.98118	0.4
107.08585	0.9
107.60025	0.5
109.06548	0.5
109.10119	0.4
112.07616	0.6
114.08373	0.9
114.09170	25.9
115.08706	6.5
116.07063	0.6
119.08558	0.5
121.10177	0.7
125.10718	0.8
127.07621	0.9
127.08669	4.7
131.08566	0.5
131.11839	0.9
134.04521	0.5
134.09657	1.0
137.09612	1.6
140.07104	0.4
142.50301	0.4
143.11804	33.1
145.97301	0.5
148.06029	0.5
149.09627	1.9
153.89980	0.4
155.10675	2.1
157.09712	7.0
166.12282	1.9
167.10677	3.0
190.26143	0.5
192.10178	0.6
192.71233	0.4
193.13338	6.7
196.14592	0.5
197.12881	0.7
201.12308	0.7
206.75887	0.5
211.14394	0.5
215.13991	0.6
220.16882	0.5
224.13963	0.6
242.15169	0.5
246.15088	0.4
251.17892	0.4
261.19626	0.7
263.17563	2.9
264.15967	2.1
281.18637	2.1
282.16907	3.4
297.21603	0.8
299.19775	2.1
315.22754	0.8
358.16281	0.6
358.23431	1.5
376.17554	5.5
376.24417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2345
Annotation	Bacithrocin B1
Peak:m/z	Relative Intensity
54.24368	0.4
61.81598	0.4
72.08160	17.3
89.10770	0.7
97.07674	3.5
98.06019	0.6
109.79527	0.4
114.10292	40.0
115.08688	3.5
145.35507	0.5
162.41690	0.5
174.63916	0.4
199.84613	0.4
204.10197	77.0
205.84174	0.5
218.11827	0.8
245.12802	2.7
246.11229	22.5
261.40964	0.4
316.20145	7.9
317.18585	22.8
334.21124	1.5
335.62787	0.5
359.20728	10.3
376.23441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08897	0.8
52.90251	0.9
77.39897	0.9
78.41711	0.9
86.50798	0.9
87.04476	94.9
92.18258	1.7
97.21709	0.9
106.69833	0.9
116.98479	1.8
131.00026	2.2
139.00372	1.1
140.98459	5.1
142.99986	4.9
151.00571	1.8
153.02153	1.5
153.99274	1.4
154.99995	8.0
156.97897	1.3
157.01614	6.2
164.99797	1.3
165.02133	5.0
167.00061	2.2
167.03682	1.6
169.01558	11.5
170.99541	4.3
171.03162	4.9
174.99036	14.3
177.02031	5.2
179.03651	4.5
181.01537	1.9
181.05270	1.3
182.99533	1.6
183.03140	6.6
185.01106	11.2
186.98982	1.6
189.00571	22.6
191.01184	1.4
191.03656	4.5
193.05238	1.7
197.01070	1.6
197.04744	1.5
199.02654	4.9
201.00517	4.5
203.02185	7.2
205.05312	1.6
207.03189	1.3
209.01180	1.5
209.04933	1.1
211.02634	2.1
213.00594	1.3
215.02228	3.5
223.02553	1.8
224.46269	1.1
233.08394	1.4
237.04152	1.7
251.05806	1.8
272.69495	1.3
284.25903	1.6
317.17883	28.9
335.15161	100.0
335.19016	65.3
339.01956	1.0
353.20047	17.5
358.20578	4.5
376.30563	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
53.65594	0.3
55.01871	0.4
55.05520	0.6
57.03429	0.8
61.02927	1.8
62.06083	0.5
67.05512	0.6
69.03440	4.2
70.06595	2.3
71.04993	0.5
72.08164	4.8
73.02905	0.8
81.03419	2.1
81.07082	0.9
84.04511	0.6
84.08162	0.8
85.02914	24.9
86.09714	2.2
87.04477	0.5
91.03942	1.8
93.07029	0.5
96.04507	0.4
97.02909	6.5
98.06039	0.6
99.04462	2.0
105.07088	0.4
109.02901	1.9
109.06548	0.4
109.10197	0.8
113.41047	0.4
114.10341	0.5
115.08698	0.4
116.07098	0.6
127.03939	4.4
129.19084	0.5
130.05023	0.7
137.05994	100.0
138.06343	0.4
139.87070	0.4
142.12234	0.5
145.04968	5.2
145.10130	0.4
147.07602	0.5
151.07565	1.6
159.09210	1.5
159.11682	0.4
160.09529	0.7
163.03867	0.7
169.13425	0.4
179.07037	38.0
180.08675	3.8
188.07068	0.4
197.08105	11.9
197.09801	0.6
203.07043	0.4
204.06688	0.5
211.13487	0.4
211.15529	0.4
214.10696	2.7
226.10403	0.6
250.14352	1.2
251.14662	0.6
255.11310	1.8
263.09186	0.7
286.11865	0.6
340.19440	0.6
358.20633	0.5
376.11511	3.1
376.23068	0.6
376.62222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40843	0.2
55.05500	0.3
56.40504	0.2
57.24482	0.2
57.89160	0.2
61.94205	0.2
63.02360	0.2
69.07050	0.2
70.06591	1.7
72.04504	0.9
72.08163	2.8
79.05457	0.2
79.48699	0.2
80.04982	0.3
81.03408	0.3
81.07069	0.7
84.08150	12.1
85.06508	0.2
86.09721	0.2
93.07035	0.5
95.08617	0.3
98.06042	0.2
99.08103	0.2
105.06987	0.2
109.06520	0.8
109.10123	0.3
112.07625	0.9
113.10774	0.4
114.09176	15.3
115.08681	0.9
121.10139	0.3
125.09579	0.2
125.10754	0.4
127.03915	1.5
127.07598	0.3
127.08687	0.5
131.08580	0.2
131.11819	1.4
134.09616	0.3
137.09657	0.5
141.09093	0.4
143.11809	32.1
148.11246	0.3
149.09615	1.0
155.10660	0.5
156.11296	0.4
157.09714	1.6
157.13365	0.4
166.12276	0.4
167.10693	0.3
173.14026	0.4
181.13382	0.3
191.11836	0.4
192.10258	0.2
193.13368	5.8
197.14018	0.3
203.11777	0.3
208.14461	0.2
209.12933	0.2
246.14920	0.4
261.19623	0.4
262.17630	0.4
263.17545	1.2
264.15857	0.4
281.18674	0.4
297.21786	1.3
315.22800	3.3
316.22281	0.3
333.23849	10.7
339.23798	0.8
357.24979	1.6
358.23483	1.4
375.26038	100.0
375.62326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99495	0.4
69.03404	0.5
70.06606	2.7
72.04500	1.8
72.08162	4.4
79.05513	0.4
81.03455	0.5
81.07054	0.9
84.08154	19.0
84.08663	0.7
85.02882	0.4
88.09679	0.4
91.05489	0.3
91.21169	0.4
93.07048	1.9
95.08585	1.2
107.08591	0.6
112.07619	0.8
114.09177	29.9
115.08684	1.7
127.08678	0.9
129.49858	0.5
131.11804	2.0
134.09650	0.5
143.11809	31.1
148.11230	0.5
149.09671	0.6
157.09720	2.0
166.12238	0.5
173.14038	0.7
176.46359	0.4
181.09624	0.4
193.13336	2.7
194.33916	0.4
220.17007	0.4
225.32977	0.4
238.18039	2.2
261.19727	0.8
297.21674	1.0
315.22778	8.0
333.23810	4.8
357.25095	0.9
375.26044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50581	0.5
67.85205	0.5
68.81340	0.5
70.06594	2.1
72.04523	1.0
72.08172	4.2
80.61574	0.5
81.03397	1.0
81.07078	0.7
84.07018	0.5
84.07672	0.8
84.08154	16.7
97.02886	0.9
113.10752	0.5
114.09183	20.2
115.08743	0.9
125.10728	0.7
127.08700	0.7
130.04999	0.8
131.11797	1.2
137.06009	4.7
143.11809	47.1
145.06499	0.5
149.09627	0.9
151.03989	0.7
156.11319	0.9
157.09708	1.2
163.07610	0.7
173.14005	2.1
185.14053	0.6
187.07491	0.7
193.13382	6.3
197.14040	0.6
200.04715	0.6
207.06458	0.7
215.07063	2.2
233.08133	0.5
239.15002	3.4
257.16104	5.2
258.14456	0.9
275.17273	4.5
293.42273	0.6
297.21838	1.1
315.22955	2.6
321.22931	3.3
339.12433	0.8
339.24066	4.8
340.22296	0.6
357.24988	31.5
375.26059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44497	0.4
63.92372	0.4
69.51058	0.5
70.06589	0.9
72.04502	2.5
72.08152	3.7
84.06400	0.5
84.08154	16.7
93.07011	0.5
107.08585	0.7
109.06494	0.5
113.10811	0.8
114.09177	28.2
115.08693	0.9
125.10712	0.6
127.08690	0.9
131.11835	1.0
137.03200	0.4
143.11812	60.3
145.42993	0.5
148.11247	0.5
149.09651	0.9
156.11345	1.1
157.09691	1.1
173.12759	0.9
173.14041	2.0
185.13989	0.8
193.13512	0.7
197.14075	1.0
199.10739	0.9
227.14932	0.8
233.14964	0.5
239.15045	7.7
257.16083	13.3
258.14542	2.8
261.19730	0.6
275.17200	10.3
315.22916	2.6
339.23975	2.7
357.24951	14.2
375.26041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91324	0.4
58.51988	0.5
70.06588	1.0
72.08145	2.5
77.62311	0.4
81.07014	0.5
84.07687	0.6
84.08153	11.9
85.02908	1.1
86.09718	1.0
107.04943	2.0
107.08588	0.8
107.34316	0.5
109.06519	0.8
110.06046	0.6
112.07592	0.7
114.09177	13.6
116.98494	0.5
126.95241	0.5
127.03965	0.6
127.07554	0.9
127.08595	0.4
131.11821	0.9
137.05998	0.9
137.09587	0.5
138.85918	0.5
141.09149	1.0
143.10692	1.1
143.11806	31.0
149.09622	0.9
151.03894	0.6
157.09697	0.6
159.09157	2.7
161.05931	0.9
167.07060	4.6
167.10655	0.7
175.07541	0.5
191.11745	0.7
193.13403	6.3
246.14723	0.7
250.39108	0.5
255.10216	0.9
263.17578	1.1
264.16074	0.5
281.18549	0.6
283.09732	0.6
297.21710	0.8
297.50717	0.5
315.22839	3.8
333.23837	12.4
340.22409	1.8
357.13287	2.1
357.24911	0.8
358.23215	1.0
367.34082	0.5
375.12332	2.5
375.26013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12589	0.3
55.22997	0.4
56.79802	0.3
70.06602	0.8
72.04499	0.5
72.08144	1.7
84.08153	11.9
85.26929	0.4
95.08619	0.6
99.08109	0.6
104.35755	0.4
105.62873	0.4
109.06496	0.5
112.07618	0.5
114.09174	14.4
131.11830	1.5
134.09608	0.6
137.09573	0.5
141.09122	0.4
143.11804	28.7
149.09650	0.7
154.47635	0.4
156.11441	0.5
157.09721	0.8
160.58778	0.4
166.12274	0.9
167.10635	0.8
171.48573	0.4
191.11763	0.8
192.10236	0.5
193.13358	8.3
199.10880	0.5
204.83249	0.4
246.14851	0.7
263.17560	0.7
264.16055	0.8
279.20767	0.4
297.21759	0.6
315.22723	4.7
333.23816	15.7
358.23352	1.8
375.26028	100.0
378.74643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70505	0.3
70.06609	2.5
72.04510	0.5
72.08147	2.0
74.38601	0.3
84.08144	9.5
96.91319	0.3
102.74285	0.4
112.07621	3.0
114.09173	14.6
115.08692	0.9
121.10135	0.4
127.08654	0.7
131.11752	0.5
132.35379	0.4
143.11812	25.6
149.09650	0.7
156.74666	0.4
157.09708	2.3
165.33688	0.3
173.12849	0.8
181.13525	0.4
193.13345	2.6
197.13992	4.4
212.59961	0.4
220.16930	0.4
236.02219	0.4
239.14972	0.5
257.16138	1.7
261.19666	0.7
263.17645	0.5
275.17072	0.8
279.20767	1.7
281.18518	0.6
282.17160	0.6
297.21753	5.1
315.22833	2.3
333.23804	5.4
339.24103	0.5
357.24927	3.1
358.23514	0.5
375.26038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49548	0.2
64.28139	0.2
69.03416	0.2
70.06586	1.1
72.04509	0.4
72.08155	2.1
84.08147	9.8
93.07045	0.5
95.08618	0.4
107.08640	0.3
109.06518	0.3
112.07603	0.6
114.09172	14.7
115.08656	0.5
121.10168	0.3
127.07557	0.5
127.08602	0.3
131.11797	1.2
134.09718	0.3
134.10846	0.3
137.09633	0.3
141.09074	0.5
143.11801	28.1
148.11191	0.3
149.09613	0.6
155.10703	0.3
157.09764	1.5
157.13359	0.3
166.12267	1.3
167.10690	0.4
173.12813	0.4
191.11789	0.4
192.10248	0.4
193.13383	6.3
246.14937	1.1
261.19754	0.4
263.17499	1.6
264.16028	0.6
279.20551	0.3
297.21762	1.3
315.22784	4.8
333.23834	16.1
357.24899	1.2
358.23657	2.0
375.26028	100.0
380.62515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88309	0.2
55.01871	0.2
55.05497	0.3
56.05037	0.2
60.63309	0.2
67.05515	0.3
70.06589	2.6
72.04522	2.1
72.08157	4.2
76.03488	0.2
79.05486	0.8
79.64557	0.2
80.05002	0.2
81.03423	0.2
81.07059	1.7
83.04961	0.2
84.08147	19.0
85.02899	0.9
85.62746	0.2
86.09689	0.3
91.05477	0.3
93.07056	2.5
95.04977	0.2
95.08595	0.8
98.06078	0.3
98.09709	0.4
105.07046	0.9
107.04951	0.3
107.08566	0.5
109.06522	0.8
109.10208	0.6
109.20855	0.2
110.06052	0.2
112.07607	1.4
113.10784	0.3
114.09170	28.3
115.08691	2.1
119.08581	0.4
121.10101	0.4
123.08053	0.3
125.10725	0.8
126.10163	0.2
127.03886	1.1
127.08681	1.5
131.08589	1.3
131.11801	2.5
134.09618	0.4
136.07541	0.2
137.09589	0.4
141.09097	0.2
143.11800	37.0
148.03972	0.3
148.11237	0.4
149.09613	1.0
150.05487	0.3
156.11316	1.0
157.09705	2.3
157.13380	0.4
159.09187	0.3
165.05473	0.2
166.04996	1.4
166.12239	0.2
167.07030	0.9
167.10709	0.2
173.12764	0.4
173.14044	0.8
185.14088	0.2
191.07114	0.2
193.13365	4.8
197.13892	0.8
202.15927	1.1
210.11288	0.2
221.01094	0.2
232.11940	0.2
246.15005	0.3
261.19678	0.9
262.17758	0.8
263.17444	0.2
264.15903	0.4
279.20673	0.3
297.21774	1.0
315.22827	5.3
321.22986	0.2
333.23813	7.5
357.13498	0.2
357.25116	0.2
358.23438	1.0
375.16400	2.1
375.26019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.0
51.02381	1.2
55.54990	0.6
60.06252	0.5
67.34511	0.5
70.06587	3.3
72.08150	5.1
77.03918	0.6
81.03471	0.5
84.08148	9.3
86.09695	2.6
95.08583	0.6
96.25355	0.5
112.07617	0.9
114.09180	11.2
115.08710	0.5
117.22188	0.5
123.04401	2.3
131.11671	0.6
137.09616	1.0
141.31294	0.5
143.11800	26.2
157.09766	0.5
160.70839	0.5
193.13411	6.6
236.12927	1.0
261.19775	1.3
263.17548	0.8
282.17114	0.8
295.17621	1.2
297.21622	1.2
315.22882	1.0
333.23770	11.9
358.23312	0.7
375.26016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2532
Annotation	Folicanthine
Peak:m/z	Relative Intensity
53.44519	3.9
57.10916	3.9
62.36415	4.5
67.05499	31.6
71.08315	4.8
71.08651	57.9
79.05518	17.1
81.07065	10.7
91.05480	25.0
93.07047	19.9
95.08586	7.7
96.53065	5.5
99.08097	29.2
105.07076	9.4
117.07016	20.7
119.08606	19.9
131.08562	8.6
133.10141	5.4
145.10149	8.1
147.95099	4.7
151.11247	9.8
157.10098	7.5
185.13376	5.7
187.11270	5.6
217.15744	6.1
341.22482	5.3
375.25272	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	375.2534
Annotation	Folicanthine
Peak:m/z	Relative Intensity
53.00332	1.9
53.55552	2.0
54.84659	1.9
55.01874	3.6
55.05519	3.5
57.03429	13.2
60.19356	2.4
67.05510	21.7
70.44572	2.6
71.08637	66.5
78.18998	2.5
79.05521	22.1
81.07056	17.4
89.91554	2.4
91.05489	28.1
93.07063	17.3
95.04951	4.0
95.08593	17.0
97.06536	6.2
99.08096	32.4
99.29225	2.3
105.07036	15.5
107.08584	4.9
109.06534	2.7
109.10136	3.2
117.07013	19.9
119.08576	23.0
121.06480	5.7
121.10133	4.6
123.08074	3.2
129.05498	5.7
129.07011	9.8
131.08551	11.9
133.10120	5.3
135.11607	2.5
143.08568	12.8
145.10135	11.7
147.11697	3.1
151.11209	22.7
157.10268	8.5
159.11656	2.5
161.09583	5.8
169.10095	9.7
171.11720	3.5
181.10048	4.1
185.13232	11.7
185.18144	2.3
187.11305	9.1
203.14417	3.0
217.15976	10.9
235.16878	5.1
263.84277	2.6
283.20593	4.7
301.21872	3.2
307.20956	2.9
352.19016	4.5
375.20694	3.6
375.25336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54208	0.4
54.82410	0.4
66.40524	0.4
92.21383	0.5
96.98686	0.5
106.99722	0.5
135.76431	0.4
147.11594	0.5
150.16678	0.5
201.78346	0.5
204.03575	0.5
244.20903	0.5
268.90884	0.5
375.25070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70269	0.5
56.26608	0.6
56.80254	0.5
56.96396	0.5
66.55207	0.6
79.21403	0.6
85.17574	0.6
150.50763	0.6
181.29805	0.6
336.29358	0.6
375.25061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40038	0.2
55.38168	0.3
55.49359	0.2
58.06600	0.7
68.40161	0.3
70.83253	0.3
72.74212	0.3
75.60989	0.3
98.66938	0.3
131.04941	0.6
135.08055	0.3
137.06000	0.6
141.36928	0.3
144.08093	26.4
145.08891	0.7
151.03891	1.2
158.09682	1.3
159.09227	0.4
159.10446	0.7
161.05954	0.5
167.07063	0.7
170.09648	100.0
171.10425	27.7
172.11264	0.4
172.18816	0.3
175.07648	0.4
177.09097	2.9
193.08638	1.6
201.13863	4.0
202.14664	26.1
203.07051	0.6
357.13373	1.9
375.22781	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18291	0.3
54.87665	0.3
55.54685	0.3
58.06610	0.5
59.76226	0.3
66.26682	0.3
67.05520	0.3
69.07066	0.6
70.06606	3.5
71.06899	0.6
72.08141	0.8
79.05490	0.6
83.66773	0.4
84.08150	5.2
85.02911	0.6
85.08463	1.5
86.09696	1.9
87.10029	0.5
91.05472	0.6
92.17833	0.5
93.07040	0.7
95.04914	0.4
97.02933	0.4
105.07037	5.1
107.04961	0.5
107.08608	0.6
111.79910	0.3
115.05450	0.6
117.07019	0.7
119.04966	0.6
120.06342	0.4
121.06513	1.3
123.04364	0.5
123.08075	0.6
127.03951	0.5
130.08615	0.4
132.10236	0.6
133.06490	6.7
135.08043	0.6
137.05968	1.7
143.06059	0.4
144.08090	18.7
145.02832	0.4
145.06505	0.4
145.08900	0.8
151.03909	2.7
151.07541	11.2
158.09656	0.7
161.05972	10.4
163.04021	1.2
163.07486	0.4
167.07037	14.7
170.09647	75.6
171.08089	0.8
171.10422	20.6
173.05957	0.4
175.07607	2.4
177.09108	100.0
187.12399	0.5
190.54091	0.3
193.08607	52.8
193.23125	0.4
195.10191	8.6
201.13878	3.3
202.14665	17.0
203.10721	2.1
221.11739	17.4
289.95197	0.4
329.13922	0.6
357.16830	0.4
375.18719	2.2
375.22791	53.8
377.63455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20159	2.2
61.48695	2.0
62.86669	2.2
65.90913	2.4
66.86470	2.3
137.75417	2.6
157.56224	3.0
189.50699	2.8
287.68127	3.0
305.05447	2.5
375.21387	100.0
375.25281	5.8
381.28601	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	375.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04535	1.2
60.05660	2.2
63.67836	0.9
67.49188	0.9
69.07085	1.0
70.03003	0.9
70.06597	10.4
70.47614	0.9
72.08157	25.6
74.06089	1.0
83.06113	1.0
84.04527	8.5
84.05622	9.2
84.08151	55.5
85.02914	2.0
86.09714	63.8
87.05586	5.7
87.14528	1.1
88.03994	5.1
98.06085	1.0
101.07179	1.3
101.10813	1.7
102.05548	7.1
103.91172	1.1
108.08088	1.7
109.08435	1.1
110.85893	0.8
110.86882	0.9
112.08685	1.2
113.07113	0.9
115.08704	1.4
116.07095	5.4
118.36065	1.1
122.06847	0.9
127.03919	1.3
129.06625	2.0
129.10251	50.9
130.05006	6.5
130.08650	33.3
133.06091	14.6
134.04501	1.3
138.09132	2.2
141.10237	7.9
143.11819	4.5
147.07642	6.2
147.11282	26.7
148.06052	10.0
156.10167	6.0
157.09764	3.7
158.09241	1.8
171.15062	1.2
173.12854	13.1
175.11920	9.0
183.11270	7.2
184.09683	2.1
197.12903	4.8
201.12350	38.3
203.07634	1.6
210.12221	1.1
213.07430	2.0
215.13908	5.6
219.09749	10.9
223.92810	1.0
228.13498	6.4
231.07210	1.3
234.05995	0.9
242.18721	1.3
243.13393	3.9
260.19666	15.0
283.44504	1.0
288.10135	1.5
357.17627	3.1
375.00867	1.4
375.12396	21.9
375.22681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.18
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37381	0.2
63.19221	0.2
69.03423	0.3
71.53677	0.2
72.08151	0.3
73.00361	0.2
75.64738	0.2
79.05486	1.3
81.07047	0.3
91.05472	0.5
93.07047	0.5
103.05416	0.3
105.07040	4.6
107.04948	0.4
107.08619	1.1
115.05426	0.6
117.07018	1.0
119.04917	0.3
121.06506	1.6
123.08036	0.6
131.04929	0.5
133.06493	6.2
135.08046	1.3
137.05975	0.3
143.06001	0.4
143.08554	0.4
145.06493	0.4
149.09650	0.4
151.03915	0.3
151.07547	9.5
161.05969	10.8
162.06744	0.4
163.03877	0.4
163.07559	0.5
167.07036	14.1
171.08038	0.5
175.07562	2.1
177.09108	100.0
193.08611	48.2
195.10159	8.4
203.07071	0.5
203.10703	1.1
214.76233	0.2
221.09586	0.6
221.11726	17.5
243.17700	0.3
315.12131	0.4
329.14035	0.4
357.13330	2.1
375.10718	0.6
375.18491	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73708	0.2
68.68094	0.3
79.05496	0.5
79.17619	0.3
80.42665	0.2
84.08153	0.2
89.43673	0.3
91.05461	0.5
93.07062	0.5
105.07039	4.1
107.04968	0.3
107.08573	0.4
108.94437	0.3
109.10108	0.3
115.05426	0.4
117.07001	0.5
119.04965	0.3
119.07167	0.2
119.23608	0.3
121.06483	0.5
123.04415	0.3
123.08035	0.6
133.06491	6.7
135.08043	1.4
137.06000	0.4
140.15874	0.2
145.06490	0.4
149.09621	0.5
150.50719	0.3
151.07549	10.8
161.05971	9.4
162.06734	0.5
163.07489	0.4
167.07034	14.2
171.08034	1.1
175.07585	1.7
177.09106	100.0
178.06300	0.6
179.07057	0.4
193.08612	52.3
195.10150	8.8
203.10703	1.4
219.29137	0.3
221.11716	16.7
276.56866	0.3
329.13690	0.4
375.18060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14927	0.2
55.01862	0.3
55.78802	0.2
56.50381	0.2
57.83477	0.2
66.78223	0.3
72.21339	0.2
75.27177	0.2
79.05495	0.4
84.98054	0.3
86.55306	0.3
88.97250	0.3
91.05480	1.1
93.07038	0.5
95.01875	0.2
105.07031	5.0
107.08578	1.1
115.05438	0.5
117.07015	0.4
119.04947	0.5
121.06506	1.1
123.08035	0.6
123.72083	0.3
125.44670	0.3
128.06268	0.3
133.06500	7.6
135.08018	1.0
143.05023	0.3
143.06027	0.4
143.08553	0.6
145.06468	0.6
149.06010	0.4
149.09581	0.5
151.03931	0.3
151.07550	10.4
151.08687	0.5
161.05977	10.4
161.07339	0.3
167.07031	13.8
171.08046	1.4
175.07582	2.4
177.09103	100.0
178.06241	0.5
181.08575	0.4
189.09038	0.3
193.08606	51.8
195.10172	8.2
203.10649	2.3
217.32118	0.3
221.11717	17.3
235.96693	0.3
329.13550	0.3
357.16855	0.5
360.15088	0.3
375.18124	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	375.1649
Annotation	Deoxyloganin
Peak:m/z	Relative Intensity
52.44742	2.4
53.03963	6.1
53.50550	2.8
55.01868	14.0
55.05520	12.0
57.03432	6.1
59.04999	2.7
61.02904	2.8
63.75288	2.3
64.38118	2.4
67.05180	4.4
67.05510	89.8
68.99783	4.2
69.03438	75.1
69.07073	14.3
70.06565	3.9
71.05000	41.6
72.08143	3.2
73.02921	11.0
79.05499	27.7
81.02995	4.4
81.03429	66.9
81.07056	29.3
83.04981	11.0
83.08624	5.8
84.04485	2.8
84.08150	3.0
85.02911	100.0
85.06547	34.4
86.02673	2.4
87.00825	30.2
87.04447	3.7
91.05489	21.0
92.18438	3.3
93.07052	30.7
95.04968	14.1
95.08617	25.4
97.02904	21.0
97.06538	11.2
98.06077	2.6
99.04466	20.1
99.08103	4.8
103.03925	6.1
105.01873	17.8
105.07013	23.9
107.04955	13.7
107.08578	24.4
109.02888	48.4
109.06519	5.6
109.10155	88.4
111.04455	10.1
111.08065	4.2
117.07011	6.3
119.08582	25.4
121.06509	12.2
121.10133	27.0
123.04425	14.2
123.08086	10.6
123.11642	2.8
125.05922	3.6
125.09627	10.3
127.03919	95.7
127.11196	18.1
129.01840	5.7
129.07033	11.0
131.03389	6.1
131.04927	4.2
131.08560	14.7
132.08061	13.0
133.06499	15.4
133.10143	16.5
135.11652	3.2
136.61462	2.4
137.06003	14.3
137.09607	15.8
139.11200	11.5
143.08540	5.7
144.08134	4.1
145.05029	3.1
145.10124	12.5
147.08066	10.7
147.11694	4.4
149.05998	4.8
149.09625	20.1
151.03902	5.7
151.07527	15.4
151.11211	11.5
157.10175	4.7
159.02837	3.6
159.08046	7.4
159.09186	50.0
161.05956	23.6
161.09549	3.4
163.11185	6.4
165.05493	3.1
167.07040	10.2
167.10649	6.1
169.06479	22.6
171.11650	3.0
173.09601	12.6
175.07500	4.0
175.11151	4.7
177.09122	77.9
179.06967	3.9
187.07524	19.5
189.03952	6.4
189.12708	5.2
191.08319	9.8
193.08578	36.3
193.12248	10.7
195.10184	4.5
199.11214	11.2
201.09209	3.5
203.07089	6.0
211.13338	10.4
217.12138	24.6
219.08076	5.1
221.11707	12.9
225.10309	11.4
231.04915	26.0
235.13312	25.3
237.09102	4.4
247.07565	4.2
251.10800	4.8
253.08669	5.4
253.14352	5.9
271.10880	5.0
279.10172	3.6
283.84042	2.7
295.15482	5.6
297.11429	2.9
307.09564	3.0
311.12720	3.9
313.16464	3.0
321.13373	25.6
325.11057	2.9
339.14688	27.6
357.13467	22.7
375.11377	28.4
375.15961	14.9
375.22821	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	375.1444
Annotation	5alpha-Hydroxytriptonide
Peak:m/z	Relative Intensity
51.44278	0.4
53.26925	0.4
56.89201	0.4
66.18381	0.4
69.68400	0.4
70.76595	0.4
75.32356	0.4
79.05490	0.5
84.08136	0.7
86.06111	0.4
91.05504	1.8
103.05487	5.6
105.07035	1.1
107.04938	0.4
109.06481	0.7
117.07004	0.5
119.04927	0.7
121.06466	0.6
121.87574	0.5
122.03660	2.2
128.06235	0.7
129.07010	6.5
131.04939	20.8
133.06528	0.8
135.08051	1.1
137.05992	100.0
143.11778	0.5
144.05624	0.5
145.06496	1.9
151.03915	13.4
151.07544	1.9
155.04919	5.8
157.06497	4.8
159.08051	0.5
159.09200	2.2
160.07602	2.1
161.05991	3.8
163.07544	27.3
163.08891	0.9
165.05511	0.8
172.05193	0.9
173.05925	0.8
174.06819	0.8
175.07562	0.5
177.09108	0.6
183.04446	9.8
186.09198	2.8
187.07539	9.2
189.05455	4.7
189.09148	1.8
191.07059	1.8
200.04686	8.6
203.07079	0.8
204.12605	1.1
205.08597	0.9
207.06551	13.7
215.07045	41.2
223.07568	0.6
229.06535	1.0
233.08066	27.6
235.11276	0.6
237.09142	0.7
249.09258	0.5
255.10266	0.6
257.06006	2.5
261.09146	3.8
265.08658	3.5
266.09512	0.9
274.06268	1.8
275.06876	0.5
279.10156	1.1
281.11819	0.6
283.09659	0.5
285.42880	0.5
289.08618	6.7
297.11230	2.5
306.08911	3.8
307.09692	2.5
313.14334	5.3
321.11197	20.0
331.15793	0.6
339.12283	35.0
340.91461	0.5
357.13452	2.9
375.12238	0.5
375.14032	0.5
375.19531	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1439
Annotation	Isohydroxymatairesinol
Peak:m/z	Relative Intensity
57.06379	0.5
59.76629	0.6
64.57571	0.5
65.25364	0.5
70.15561	0.6
75.14558	0.6
79.05499	0.8
83.64039	0.6
91.05503	1.0
103.05472	5.5
105.07023	2.4
107.04943	3.1
109.06515	0.8
112.32335	0.7
117.07020	1.0
119.04942	0.7
122.03661	1.4
123.04385	0.8
129.06963	3.1
131.04929	17.4
131.08577	0.7
133.02911	1.2
133.06468	3.8
135.08060	1.5
137.05984	100.0
149.05942	1.0
151.03900	10.9
151.07539	4.5
155.04892	3.4
157.06508	2.6
161.05991	10.7
162.06694	1.5
163.07527	27.1
167.07042	19.0
173.29170	0.7
175.07536	3.7
177.09085	6.5
179.07045	2.7
183.04428	4.2
187.07535	5.1
189.05449	1.5
189.09109	0.8
191.06978	1.0
193.08606	3.5
200.04713	3.9
203.07121	4.8
205.08487	1.2
207.06514	9.7
215.07027	22.7
216.14357	0.7
223.07623	2.6
233.05833	1.2
233.08017	15.4
235.07439	0.9
237.09077	2.8
251.06987	2.5
254.09457	0.7
255.10126	3.0
257.05875	0.9
261.09109	3.1
262.93893	0.6
265.08606	2.9
279.10031	1.0
283.09726	4.9
289.08566	4.2
297.11194	2.6
306.08905	0.8
307.09650	2.5
310.08322	0.8
311.12827	1.0
313.14282	2.2
315.12198	3.2
321.11194	15.1
325.10739	1.2
325.14362	1.2
339.12253	21.9
343.11661	0.7
357.13263	15.8
357.17072	4.1
375.14328	2.9
375.18744	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	375.1442
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
54.55613	1.0
63.68090	1.3
67.21898	1.1
69.07047	1.4
72.08144	5.2
81.03438	1.6
81.07048	1.9
91.05453	1.9
93.69006	1.5
95.08635	1.6
107.04955	9.7
114.10279	1.7
127.03876	1.3
131.04924	2.7
135.07994	1.2
137.05963	7.8
143.04909	1.5
147.04358	1.2
149.05975	2.1
151.07520	4.9
153.05484	1.8
161.05977	31.9
163.03915	4.7
163.07561	2.2
167.07056	21.5
167.08441	2.0
170.09601	1.9
175.07547	9.5
177.05510	1.9
177.09140	2.7
179.06987	2.9
188.04677	4.8
191.07077	6.7
195.08089	9.4
203.07037	18.9
205.06784	1.6
205.08652	8.2
219.08061	2.6
221.08043	2.2
223.07526	12.4
225.05580	2.1
227.10696	1.5
233.06015	1.8
237.09152	7.0
240.07802	4.6
241.08714	2.1
247.07610	1.3
250.06223	2.2
251.07024	11.0
254.09413	2.4
255.10146	17.5
265.08606	7.5
268.07220	2.4
269.07965	1.3
282.08701	2.0
283.09650	32.0
293.08047	1.8
295.09628	1.8
297.11163	11.2
300.10004	2.9
307.09567	5.7
310.08307	3.0
315.12268	29.2
325.10599	10.9
327.12271	1.7
339.12274	5.0
343.11548	1.4
357.13324	100.0
375.10336	2.2
375.14389	11.3
375.24899	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	375.1442
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
55.37031	0.7
59.99355	0.7
65.10202	0.7
70.06591	1.3
72.08149	3.6
79.05496	1.4
85.02909	1.5
92.14001	0.8
95.04977	2.0
98.20110	0.8
104.35598	0.9
107.04967	7.4
114.10303	0.9
119.04932	1.3
121.06472	1.2
131.04938	2.0
132.08093	1.1
133.06485	1.7
135.08002	1.2
137.05981	7.1
143.04991	3.1
145.02911	0.9
145.06396	1.1
147.04437	1.0
149.05951	2.9
151.03891	4.0
151.07510	4.1
153.05473	4.6
154.07513	0.8
159.09195	6.2
161.05978	31.8
163.07599	3.1
165.05452	1.0
167.07037	25.3
167.08427	1.6
170.09682	1.3
172.45760	0.8
175.07599	10.0
177.05516	1.0
177.09091	11.5
177.29984	0.8
179.07088	1.9
180.07840	1.1
183.89798	0.8
188.04694	5.5
191.07033	5.5
193.08644	7.3
195.08081	8.7
203.07039	22.3
205.06721	2.0
205.08623	7.6
209.09651	4.0
219.08112	1.2
221.06035	1.0
221.08101	1.7
221.11784	1.1
222.06847	3.4
223.07530	12.7
227.07156	1.0
233.05980	1.5
237.09132	10.3
239.07156	1.3
240.07782	3.5
241.08603	1.6
247.07552	1.6
251.07014	8.7
253.08575	1.3
254.09311	3.8
255.06587	1.4
255.10168	13.0
265.08597	6.6
268.07254	5.6
271.10822	1.1
279.10019	1.7
282.08783	4.3
283.09659	32.6
285.07672	1.0
286.99594	0.8
292.07315	1.2
293.08017	2.8
295.09515	1.1
297.11203	8.7
300.09836	3.2
307.09622	8.3
310.08350	4.9
315.12286	28.3
325.10709	13.7
327.08707	1.3
327.12158	1.3
339.12222	1.9
341.10461	0.9
342.11237	0.9
343.11697	0.9
357.13303	100.0
375.14966	13.2
375.19421	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	375.1438
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
53.83791	0.8
55.01873	1.0
79.05486	1.4
84.44567	0.8
90.48093	0.8
95.05004	1.5
95.40401	0.8
107.04948	7.5
121.06503	0.9
137.05969	6.8
140.04755	1.0
143.04922	1.4
149.06007	1.1
152.43678	0.9
153.05453	4.9
161.05984	32.6
163.07536	3.9
167.07085	17.8
167.08493	2.3
175.07573	9.7
177.05513	1.7
179.07060	3.8
188.04701	7.0
190.59848	0.8
191.07010	7.1
195.08073	8.6
203.07024	23.7
205.06725	1.7
205.08611	8.5
209.09621	3.8
212.08319	1.2
219.08023	1.6
221.08122	3.3
223.07530	11.5
223.54715	0.9
225.09250	1.2
227.10587	1.2
233.06033	1.3
236.08456	1.1
237.09042	8.5
240.07768	4.1
241.08621	1.4
247.07503	4.1
250.06174	1.4
251.06955	11.7
254.09401	4.5
255.07611	1.5
255.10146	16.7
265.08591	10.8
267.06757	0.9
268.07370	5.2
269.08011	1.7
269.11697	1.2
279.10251	1.5
282.08810	4.6
283.09650	33.1
284.10376	1.3
287.12756	1.3
292.07477	1.8
293.08099	2.0
295.09741	1.5
297.11212	9.9
300.09863	3.7
307.09500	6.5
310.08395	1.7
315.12262	32.0
324.09860	1.2
325.10727	11.2
327.12445	1.4
339.12296	4.6
342.11102	1.2
357.13327	100.0
375.14529	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	375.1428
Annotation	Vladinol D
Peak:m/z	Relative Intensity
60.41646	0.4
61.26700	0.5
62.01601	0.5
62.32111	0.4
67.05510	0.6
69.03436	0.5
71.90124	0.5
81.03423	9.2
84.08126	0.5
85.02909	0.7
90.55465	0.6
91.05482	0.9
91.56554	0.5
98.97655	0.6
109.02903	0.6
109.06498	0.9
125.05979	1.0
128.06229	0.7
129.07007	7.2
131.05008	0.5
137.05986	36.5
143.04927	3.2
145.06496	0.9
147.08061	1.8
151.03908	100.0
153.05457	2.9
157.06496	10.7
159.09172	3.3
161.05995	2.8
161.09610	1.1
163.07544	0.7
165.05379	0.9
171.04399	2.3
175.07590	4.8
177.05414	0.5
179.82986	0.5
187.07599	1.9
189.09119	7.7
191.07028	6.2
203.07028	21.7
205.08635	9.2
215.07056	2.1
219.07985	0.7
221.08078	5.3
225.10257	0.6
233.08096	4.9
247.07449	0.9
261.09109	1.1
279.10120	2.4
285.98828	0.5
286.08289	3.5
289.08551	2.2
295.09744	0.9
306.08856	0.9
307.09653	2.6
309.11221	1.2
311.12781	1.0
312.10217	0.7
319.24890	0.6
321.11301	3.1
327.12106	6.8
339.12234	8.4
345.13220	2.0
357.13275	13.0
357.17252	0.6
375.10458	0.9
375.15244	4.2
375.21359	2.3
375.29373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1335
Annotation	N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide
Peak:m/z	Relative Intensity
51.86483	0.3
60.35342	0.3
66.18452	0.4
70.06589	1.6
70.30408	0.4
71.85732	0.4
72.08166	0.5
72.74249	0.3
81.79993	0.4
84.05635	72.1
84.08123	0.6
84.23991	0.4
85.06418	5.2
98.07159	0.8
117.54002	0.4
129.10266	0.6
133.29224	0.4
142.06081	1.7
143.06946	4.5
148.07504	0.6
163.03876	0.5
164.11859	0.8
175.11913	0.4
182.09261	1.8
194.08144	3.6
208.10841	2.9
210.12381	18.1
211.13106	0.4
212.13835	0.6
214.06378	0.6
226.10146	0.6
236.10321	1.0
242.09651	0.7
244.11192	3.5
254.11336	18.3
254.14015	0.6
256.12891	0.6
264.13641	0.4
270.09100	3.2
270.49030	0.4
286.08624	1.9
288.06918	0.9
288.10132	27.7
299.16870	0.4
311.86462	0.5
314.11740	1.9
330.07339	0.6
330.11188	12.9
331.14389	1.0
375.13333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03439	0.5
69.03410	1.0
71.05033	0.5
72.47655	0.5
81.03436	1.2
81.07053	0.9
82.45811	0.4
84.04489	0.5
85.02425	1.0
85.02914	26.8
85.03426	0.9
86.03238	0.9
87.00825	3.1
88.74754	0.6
95.04980	0.7
95.08588	0.5
97.02856	1.2
99.04465	0.8
102.78986	0.5
103.03913	0.7
103.05476	1.2
105.01861	2.3
105.07045	0.7
107.04974	0.9
109.02860	1.1
114.64712	0.5
127.03920	3.5
128.04243	2.2
129.16708	0.5
130.06535	3.5
131.03421	13.9
131.04883	5.3
132.08095	19.1
132.09023	1.0
133.06476	0.8
137.05974	11.1
142.06520	3.8
145.04968	1.2
147.04297	0.7
149.05969	1.2
150.02562	0.6
151.03947	1.1
151.07524	0.9
157.07697	0.8
158.06056	1.2
158.08440	0.7
159.09181	100.0
160.07576	3.2
161.05962	4.5
163.07545	5.8
167.07034	4.9
168.08072	0.9
175.07562	0.9
177.09097	3.5
179.07019	0.6
180.08046	2.3
181.08688	0.9
182.08398	0.8
185.07043	0.8
188.04608	0.7
193.08592	6.0
195.08127	0.7
197.00604	0.5
197.10783	0.8
199.08725	0.7
203.07019	4.4
205.08655	0.8
207.06587	0.5
208.07588	0.8
211.09764	0.7
221.07913	0.5
223.07634	1.0
225.10225	27.3
225.12396	1.0
227.83739	0.5
231.04997	0.7
233.07872	0.6
237.09100	0.6
242.07666	0.9
243.11314	4.8
253.09743	2.5
255.10213	1.2
271.10757	15.6
271.13501	0.9
283.09674	4.3
289.11920	5.3
297.11411	1.0
315.12347	3.7
325.10782	0.9
331.12711	1.8
339.12503	1.1
357.13446	10.7
374.69562	0.6
375.11887	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.01863	0.6
55.05512	0.1
57.03429	0.2
61.02936	0.1
66.91502	0.1
69.03432	1.9
70.06592	1.0
71.05005	0.3
72.08157	0.9
73.02904	0.5
74.06050	0.2
81.03425	2.6
84.04525	0.1
84.08136	0.8
85.02909	4.5
86.09703	1.9
87.00827	1.6
87.10040	0.5
91.03976	0.2
97.02893	1.4
99.04467	1.3
105.01874	1.3
109.02885	2.6
112.07576	0.2
114.09151	0.6
116.07090	0.2
117.01881	0.2
120.08060	0.2
127.03919	100.0
129.01828	0.2
129.10251	0.2
132.10190	0.2
137.05971	0.5
143.11818	1.4
145.04985	1.5
146.99783	0.1
147.02916	0.3
147.04488	0.1
150.80246	0.1
157.09749	0.1
159.02881	1.9
159.09099	0.9
193.13451	0.3
197.14018	0.6
203.13554	0.1
228.17952	0.2
231.05103	0.6
244.09288	0.2
284.85822	0.1
297.21799	0.5
333.23907	0.5
375.09528	2.3
375.18939	0.2
375.26126	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	374.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	3.6
64.93100	0.9
70.06588	7.4
76.22702	1.1
78.00837	1.1
80.73100	1.0
88.07636	19.1
102.09187	13.2
138.31982	1.1
141.05177	1.1
146.11829	1.1
176.48630	1.1
204.51297	1.0
221.03874	1.0
246.22836	1.0
312.32584	62.0
330.35037	1.0
356.35126	3.6
374.36288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73322	0.4
52.71099	0.4
65.50351	0.5
79.31175	0.5
91.48827	0.5
98.97572	2.7
116.98627	0.9
142.10008	0.5
166.37123	0.6
192.56531	0.5
202.48683	0.6
214.95435	1.0
219.01991	0.8
232.96474	2.2
243.02029	0.9
248.93863	2.4
250.97556	1.0
256.96567	0.5
261.03015	3.7
262.03198	0.5
263.02924	0.6
266.95078	2.6
272.94022	3.8
274.97235	0.9
282.97742	0.8
290.59464	0.6
290.94971	17.1
296.94125	2.6
308.96014	2.5
314.94983	100.0
332.92880	2.1
332.96051	51.1
351.95279	1.7
356.96155	16.9
357.01529	2.5
360.95892	1.0
363.46228	0.8
374.97141	30.3
375.02271	2.6
392.98013	2.2
397.99170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88218	0.8
57.07073	3.7
60.17162	0.8
61.44539	0.7
68.18105	0.8
70.06596	8.3
71.08617	1.4
85.10161	1.0
88.07178	1.3
88.07632	21.8
102.09192	15.4
104.92603	0.9
132.10295	1.1
261.53397	0.8
268.29736	0.9
312.32596	66.2
356.35260	3.9
374.36304	100.0
385.44965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28270	13.0
67.05507	19.3
74.53008	15.5
79.05481	19.0
80.24025	12.3
81.07059	30.4
85.73940	14.2
91.05483	17.8
93.07049	16.7
107.08583	14.8
118.75130	15.4
119.08553	32.1
121.10180	20.6
133.10130	24.8
135.11710	100.0
155.51166	15.0
161.09674	21.4
163.11217	21.5
170.28802	13.8
175.08498	13.3
181.12157	32.7
185.13188	14.8
203.14355	15.3
223.94356	13.4
239.16534	25.8
285.22330	15.7
388.56934	16.0
392.83307	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	374.2485
Annotation	Ala Arg Lys
Peak:m/z	Relative Intensity
58.88655	0.2
72.04520	0.9
72.08158	1.5
75.74770	0.2
79.31367	0.2
84.05636	3.6
84.08151	0.8
85.05962	0.5
85.33341	0.2
114.09178	8.6
115.08810	0.5
115.09518	4.5
138.10263	0.9
142.66879	0.2
143.11844	1.3
144.12132	0.4
146.82072	0.2
183.68980	0.2
197.13983	13.2
198.14348	15.8
220.91742	0.2
225.14169	0.4
242.14955	0.4
243.15343	0.9
246.11536	0.2
260.16214	0.3
261.16425	0.3
297.20123	0.3
338.22665	5.1
356.23752	12.5
374.24802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.229
Annotation	Glu Ile Leu
Peak:m/z	Relative Intensity
56.05042	0.6
61.02948	0.6
62.48406	0.7
63.01183	0.7
69.07081	4.6
69.70003	0.6
84.04510	17.2
86.09712	100.0
92.63372	0.6
93.20921	0.6
102.05555	17.8
129.06613	22.0
130.05003	1.0
132.10207	44.3
164.85863	0.7
165.16118	0.6
169.13376	1.0
170.11784	10.3
186.09161	1.6
193.73283	0.7
197.12859	27.1
215.13927	33.3
225.12357	7.5
243.13388	20.4
338.20578	0.9
356.21692	5.6
374.18188	0.7
374.22464	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	374.208
Annotation	SB 202327
Peak:m/z	Relative Intensity
50.85315	0.5
50.92159	0.4
58.71022	0.5
61.02921	0.5
69.03432	0.9
70.06597	1.9
72.08158	2.3
84.04507	0.7
84.08135	2.1
85.02914	6.1
86.09692	1.1
88.03976	0.7
91.59112	0.5
97.02892	3.4
99.04498	0.6
102.13905	0.5
110.26057	0.5
110.49485	0.6
115.81546	0.5
117.03398	1.0
120.08144	0.8
127.03936	1.0
129.10249	2.0
143.54445	0.5
144.08102	66.4
145.02863	12.6
145.05026	1.2
145.08882	4.2
148.07610	1.0
149.05984	0.8
155.80388	0.6
158.09650	2.9
163.03868	0.7
170.09659	70.8
171.10432	13.8
177.05478	55.7
180.08682	1.1
186.07484	0.7
187.12340	7.2
187.14392	1.1
188.13095	31.7
195.06549	29.3
216.06613	0.9
224.10718	4.9
269.16522	3.8
287.17566	1.2
374.20819	100.0
399.83917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98810	3.3
64.07140	3.6
75.42324	3.2
85.27261	3.7
96.75491	3.6
100.17122	4.2
100.17778	3.9
144.29080	3.4
162.64795	3.2
186.72047	3.7
230.24875	3.3
333.17361	64.6
351.18433	100.0
369.19516	16.2
374.19885	4.8
387.47189	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	374.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.6
55.31639	1.1
57.18286	1.0
60.17857	1.1
67.05502	2.6
69.07079	12.4
71.04984	2.5
79.05480	2.5
81.07055	14.9
81.30283	1.3
83.04964	2.1
83.08587	2.2
85.06535	10.4
88.03980	5.8
91.05464	5.0
92.83315	1.0
93.07072	9.9
93.42564	1.1
95.08599	14.5
97.01098	1.4
97.10171	2.7
99.04446	4.6
101.05991	2.0
105.07035	11.0
107.08614	12.3
109.06516	7.7
109.10160	13.5
110.06049	1.5
111.02593	1.3
113.05977	1.1
119.08588	25.7
121.10145	22.5
122.02727	8.2
123.11706	2.2
124.07670	1.3
127.07545	6.0
127.11199	15.0
131.08566	1.3
132.01173	2.0
133.06514	2.3
133.10143	22.0
135.08020	2.7
135.11688	9.5
137.09659	2.7
137.13298	4.5
139.11168	11.0
147.11678	8.0
157.10117	5.7
159.11682	8.9
161.09602	7.1
165.09106	2.0
168.04820	8.7
173.13333	4.4
175.11159	6.5
175.14816	20.5
177.12808	2.3
179.10661	7.3
183.04698	1.3
189.16447	1.6
199.14847	5.4
217.15884	6.8
235.16963	16.8
253.18004	8.5
267.14206	1.5
310.18478	1.4
339.16174	1.3
356.19003	8.6
374.19955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.1
57.07076	1.4
65.60360	0.8
66.16756	0.8
67.05500	1.6
69.07074	11.2
71.03061	1.0
71.04993	4.1
76.02232	1.3
79.05499	1.7
81.07064	17.0
83.04995	1.4
83.08612	3.6
85.06554	12.4
86.00684	1.0
88.02193	1.2
88.03986	5.7
91.05469	2.2
93.07031	14.5
95.04997	1.4
95.08608	13.3
97.01132	1.2
97.06545	1.7
97.10162	3.5
99.04434	4.3
101.06010	2.0
105.00126	1.1
105.07026	10.2
107.08593	11.8
109.06521	4.7
109.10168	12.6
110.06012	1.3
111.02684	1.9
115.15391	0.9
119.08588	25.6
121.10146	23.0
122.02750	9.0
123.08090	1.9
123.11682	4.8
127.07555	8.7
127.11189	18.4
131.08533	1.9
132.01118	1.2
133.10132	25.0
135.08084	1.8
135.11716	9.3
137.05978	1.3
137.09618	4.0
137.13248	3.7
139.11197	8.0
141.03627	1.2
143.08534	2.0
144.08104	8.2
145.08434	6.2
147.08008	4.1
147.11696	7.4
149.09589	1.1
149.13351	3.3
151.05821	1.8
151.11133	1.5
157.10089	5.1
158.08229	0.9
159.11667	10.6
161.09631	8.1
161.13243	1.2
165.07217	1.2
165.09009	1.6
168.04807	11.1
169.03145	1.9
170.09647	21.7
171.10025	26.0
171.11700	1.5
172.10773	8.2
173.13251	5.1
175.11195	9.6
175.14795	18.7
177.12723	2.3
179.10643	7.3
183.04797	2.0
189.16376	2.2
193.12213	1.5
194.97395	1.1
199.14861	8.1
202.14635	5.5
203.14981	7.5
207.12053	2.1
211.07907	1.2
217.15884	9.0
235.16940	22.1
253.17955	8.4
310.18268	4.4
356.19022	8.1
357.17365	2.3
374.19955	100.0
374.25180	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
60.04540	0.8
67.05527	1.1
69.03464	1.2
69.07097	1.8
70.51372	0.7
72.08158	1.3
75.04461	1.0
76.02251	3.5
79.05515	3.5
81.07066	14.7
85.02894	0.9
86.09728	0.9
86.99109	0.9
91.05517	1.3
93.07062	8.0
95.08604	8.0
99.04430	0.8
101.06038	1.0
105.00114	4.0
105.07044	31.8
107.08620	5.2
109.06560	0.9
109.10192	4.0
116.72890	1.0
119.08585	10.3
121.10146	36.7
122.02731	27.0
123.08102	3.9
131.08627	5.8
133.10138	9.3
135.08197	1.0
135.11667	6.2
143.08588	9.4
144.09412	1.1
145.10135	1.5
147.11726	2.1
149.09673	1.3
157.10129	16.2
159.11696	100.0
161.09666	3.8
161.13258	98.6
171.11705	1.5
173.13277	1.1
175.14877	1.4
177.12776	8.4
179.10661	2.0
179.14316	6.0
189.16446	4.9
199.14819	18.7
199.66446	0.9
202.05782	0.9
207.16467	0.9
217.15887	40.5
235.16953	18.6
241.10918	0.8
253.18108	1.4
338.17834	3.3
356.12131	5.8
356.18964	25.7
363.73309	1.0
374.13269	1.2
374.20053	12.5
374.23425	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10091	0.4
59.63396	0.5
60.08183	0.5
60.48222	0.6
62.21639	0.5
66.68594	0.5
67.58224	0.4
68.05022	4.3
74.79512	0.5
76.91876	0.5
80.05038	0.5
85.02896	0.8
91.05470	8.9
95.06088	100.0
100.77764	0.6
103.05473	0.6
105.07033	16.6
107.04954	0.5
107.06085	0.9
108.06901	0.8
109.07661	6.6
111.05577	0.8
113.07132	5.9
115.05437	2.0
115.47235	0.5
117.07020	0.7
123.05529	4.5
126.08517	0.5
131.04932	4.6
132.08157	0.5
133.06485	9.8
136.06325	1.2
141.06586	1.0
148.07562	8.5
154.13394	0.8
156.08084	0.7
164.07066	11.2
176.07045	21.4
194.08121	16.1
198.09227	0.7
199.12328	0.8
209.10744	8.0
212.09111	6.0
227.11830	8.2
243.11345	1.1
258.19620	4.8
271.10745	25.5
286.19199	3.5
287.10278	1.0
330.18109	58.7
346.78644	0.5
356.13385	1.0
374.14304	15.0
374.17474	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	374.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25018	0.7
53.03952	1.3
54.18879	0.6
55.01886	6.7
55.05526	0.8
57.03448	1.3
61.02925	1.6
65.03949	1.1
67.05507	1.1
69.03437	16.1
70.06606	11.1
71.04993	1.2
72.08155	8.7
73.02906	3.7
81.03426	8.6
82.18631	0.7
84.04505	3.8
84.08175	1.6
85.02910	57.4
86.09708	14.2
87.00837	19.6
91.05482	100.0
92.17757	1.6
97.02898	17.0
99.04462	8.9
102.05551	1.3
105.01875	35.9
107.23444	0.7
108.04492	1.2
109.02874	19.8
119.04945	0.8
126.05462	1.5
127.03914	45.2
129.01822	3.6
130.08658	1.1
131.04932	1.0
132.10213	3.4
133.06456	1.1
145.04980	15.9
145.06490	1.8
147.02951	0.9
157.06505	1.6
159.02884	14.4
163.03891	11.5
167.06961	0.9
171.08009	1.8
175.07533	1.9
181.06548	0.9
189.03967	3.6
189.12492	1.0
195.06589	1.8
197.12874	1.4
199.07550	3.1
213.03836	0.9
215.13979	3.0
217.08617	5.0
231.05020	12.9
248.07588	1.2
249.06084	7.2
260.60089	0.8
321.09775	4.4
339.10693	3.9
374.14310	7.0
374.17911	1.5
374.22473	6.9
396.66824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06290	0.2
53.03955	0.2
54.33395	0.2
55.01889	0.4
55.35462	0.2
61.02937	1.3
69.03445	2.3
70.06601	0.5
72.08166	0.9
77.14403	0.3
81.03429	1.1
84.04510	0.4
84.08144	0.3
85.02908	11.7
86.09712	34.5
89.03933	0.3
91.03976	1.0
92.18420	0.4
94.26604	0.3
97.02891	3.4
99.04459	0.6
107.08601	0.3
109.02883	1.5
109.10239	0.3
117.03372	2.5
117.21335	0.3
121.10213	0.3
122.02691	0.3
125.61788	0.2
127.03930	2.9
130.05009	0.6
144.08128	0.3
145.02855	26.2
145.04959	2.5
148.06044	3.4
149.05995	1.8
149.13377	0.3
152.63266	0.3
153.05461	0.6
163.03923	1.7
170.09584	0.3
175.73228	0.2
177.05475	100.0
180.08655	3.0
195.06538	53.7
199.18051	5.8
212.09192	1.1
217.15854	0.4
227.17558	7.8
235.16962	1.2
260.97702	0.3
261.14389	1.5
356.18753	1.1
374.13861	1.8
374.22864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94226	0.7
52.62360	0.8
70.06574	1.2
72.08150	1.4
73.83965	0.7
74.00642	1.0
76.02222	5.1
84.05628	4.8
84.08118	0.8
86.09698	1.6
100.07596	0.7
105.00100	1.0
122.02739	31.9
129.06979	3.1
131.08565	1.6
132.72800	0.8
133.06459	1.0
135.08076	1.0
138.90205	0.8
147.08078	8.9
148.13348	1.0
157.06502	4.4
159.08072	1.4
161.04121	1.5
161.04599	1.2
161.05977	17.3
161.09598	7.3
163.07547	27.4
163.08896	1.1
165.05411	1.1
165.09093	4.3
174.06792	1.3
175.07550	3.3
179.07036	1.5
182.09325	1.0
189.03699	17.5
189.05484	26.7
189.09106	58.0
191.07040	4.4
193.03189	26.5
193.08653	3.3
203.07007	3.6
207.04810	3.0
207.10170	95.7
217.08600	17.9
221.06310	11.0
224.13957	3.0
235.07277	1.9
235.09648	50.9
239.07335	10.3
242.14980	4.9
249.05779	1.6
253.10725	12.9
257.08508	3.6
265.08792	0.9
282.11581	1.3
285.07898	8.9
293.08432	1.4
311.09549	4.1
328.12079	7.7
339.09009	1.2
356.11661	27.2
357.09961	12.2
365.17706	1.0
374.12708	100.0
374.19495	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	373.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42007	0.6
57.03445	35.1
61.02932	6.9
67.05506	1.6
69.07066	2.2
81.07063	5.7
83.08621	4.9
89.55121	1.0
92.18375	1.2
95.08591	6.4
109.10160	1.4
117.05493	100.0
123.11712	1.2
154.24417	1.0
170.09586	1.3
177.18230	1.0
257.24774	1.0
312.64590	0.9
355.28455	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	373.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78445	0.3
58.06593	0.9
60.62027	0.3
71.84177	0.3
81.07089	0.4
88.26778	0.3
89.26889	0.3
92.17822	0.5
94.88903	0.4
95.04938	0.4
95.08670	0.4
96.14503	0.4
100.07612	0.7
119.08556	0.4
125.09650	0.8
144.08087	23.7
145.08882	0.5
152.75854	0.4
158.09689	1.4
159.10347	0.4
165.24821	0.4
167.07018	0.7
170.09644	100.0
171.10425	31.9
201.13875	4.1
202.14662	31.2
245.08224	0.4
253.08810	0.4
269.20166	0.4
338.12131	0.4
355.15729	0.5
373.24860	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27705	0.3
50.48357	0.2
58.06610	0.8
64.01739	0.3
68.54407	0.3
71.24978	0.3
81.07035	0.4
92.17807	0.8
127.07342	0.3
144.08093	24.1
145.08850	0.5
158.09659	1.8
170.09653	100.0
171.10434	33.3
172.11215	0.5
187.12234	0.6
201.13924	4.5
202.14659	32.5
213.13870	0.4
269.20270	0.6
313.10995	0.4
365.15485	0.3
373.24887	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.2
55.05508	0.2
60.35017	0.2
60.98515	0.2
69.03433	0.2
70.06607	2.5
72.04504	1.2
72.08161	3.6
82.27023	0.2
83.04988	0.2
84.04505	0.3
84.05637	4.1
84.08154	1.8
84.71140	0.2
86.09703	1.0
86.73661	0.2
87.96496	0.2
88.11243	0.8
89.09362	0.2
98.06059	0.2
98.09709	0.2
107.06071	0.2
109.10165	0.3
112.07635	0.2
113.10779	0.5
114.09173	14.7
115.08664	0.3
116.07099	1.0
119.08545	0.4
119.14915	0.2
123.04430	0.8
124.07616	0.3
125.05800	0.2
125.07124	2.7
127.03947	0.5
129.10263	0.3
130.05067	0.3
131.11823	0.3
131.12849	0.2
134.05884	0.2
135.08109	0.2
138.10266	1.0
143.11809	3.6
143.40581	0.2
147.08025	0.4
150.09142	1.1
150.58806	0.2
156.11359	0.3
157.09767	0.4
159.11298	0.5
165.09138	0.9
187.10773	0.8
197.06157	0.2
197.13989	27.4
218.15401	0.5
235.18076	0.4
236.16435	1.4
242.15002	1.1
253.19144	1.2
260.16086	0.4
277.19150	0.2
278.18692	0.3
287.10889	0.4
295.20300	0.3
296.19751	0.3
313.21332	0.3
314.13596	0.3
314.20779	0.9
329.12091	1.8
331.22562	0.2
337.22275	2.6
355.23373	9.2
373.11188	11.2
373.24481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2446
Annotation	460A
Peak:m/z	Relative Intensity
50.55912	0.5
52.23531	0.4
55.25246	0.5
59.75498	0.5
69.07043	0.7
70.06583	0.8
72.04504	2.7
72.08151	5.3
73.47511	0.5
76.35405	0.5
80.17976	0.5
84.05628	0.5
84.08146	11.1
113.10728	1.0
114.09169	27.1
115.08680	3.1
119.08553	0.7
120.54544	0.5
121.10143	0.8
125.36189	0.5
127.08627	2.3
131.11758	0.8
136.11115	0.5
137.09599	0.7
143.11801	23.8
157.09715	2.2
166.08675	0.9
173.14021	2.2
197.14011	6.1
205.05788	0.5
206.62939	0.6
218.15448	1.2
236.16374	4.2
244.03242	0.5
253.19119	2.0
254.17442	4.6
267.20401	0.6
271.20190	3.1
272.18613	0.9
309.22873	3.1
310.21304	2.4
313.21146	0.7
327.23773	5.0
331.22205	7.5
356.21817	4.2
373.24454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50233	0.3
52.29171	0.3
60.40310	0.3
69.07067	1.6
70.06600	0.9
72.04502	2.0
72.08160	5.8
77.36100	0.3
84.05615	2.0
84.07685	0.4
84.08155	11.3
87.44395	0.3
93.07039	0.4
95.08591	0.4
98.06053	0.7
98.09676	0.4
107.08602	0.5
109.10168	3.3
112.07603	0.6
114.09173	32.1
115.08690	2.2
119.08558	1.9
121.10105	0.8
121.69482	0.4
127.08661	1.7
131.11780	0.6
133.10127	0.4
135.11734	3.7
137.09610	1.3
143.11807	23.5
151.14772	0.5
156.11340	0.6
157.09727	0.7
159.81641	0.5
166.08713	0.7
173.12836	1.8
173.14082	0.8
175.07521	0.7
175.14893	1.5
193.15918	2.6
197.13991	13.2
211.16844	2.5
212.09181	0.4
215.15050	1.9
218.15471	1.5
224.64268	0.5
227.14230	0.4
229.11835	0.5
235.18045	0.4
236.16470	2.4
251.17424	0.5
251.31792	0.4
253.19147	0.9
254.17473	2.7
260.16064	0.8
271.20273	1.8
272.18625	0.9
277.19211	0.8
280.15372	0.7
291.21719	0.6
295.20154	0.6
297.18140	1.5
309.22876	3.8
310.21274	1.8
313.21384	0.5
327.23926	4.4
331.22284	10.0
356.21741	4.4
373.24475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2447
Annotation	Gln Leu Leu
Peak:m/z	Relative Intensity
51.30699	0.3
54.55373	0.3
55.02727	0.3
71.84085	0.4
72.04502	0.7
72.08140	1.9
84.05627	4.9
84.08144	1.7
114.09180	16.1
121.08936	0.3
138.10243	1.4
143.11813	2.6
156.39903	0.4
197.13979	35.5
242.15051	0.7
260.15787	0.7
273.77612	0.3
296.19714	0.8
314.20770	0.6
331.22937	0.5
337.22263	3.3
355.23395	11.3
373.24472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2449
Annotation	460A
Peak:m/z	Relative Intensity
60.04518	0.2
67.05509	0.3
70.06597	3.3
72.04521	1.4
72.08163	4.5
72.70078	0.2
75.09741	0.1
84.08151	25.0
93.07033	0.2
95.04954	0.8
95.08604	0.3
98.06067	0.3
98.09711	0.4
101.10768	0.3
102.58999	0.2
109.10151	0.2
110.07150	0.2
111.08108	0.2
112.07596	2.8
113.10783	0.4
114.09174	23.9
115.08693	1.0
119.08582	0.9
121.10169	0.4
122.09716	0.2
123.08067	0.3
125.10757	0.6
125.90968	0.2
126.10307	0.3
127.08695	1.8
130.04984	0.2
131.11801	1.6
137.05980	1.0
137.09634	0.3
143.11807	54.5
144.11340	0.2
145.02837	0.2
147.04506	0.2
147.08064	2.5
156.11342	0.7
157.09746	1.7
157.13309	0.5
161.05902	0.2
164.10733	0.6
165.09132	0.4
167.07066	0.6
172.13312	0.2
173.06122	0.2
173.14024	0.7
175.07547	0.7
177.05495	0.3
183.11342	0.2
185.13989	0.6
191.87796	0.2
193.08649	0.3
194.11784	0.3
196.15810	0.2
197.13957	1.7
200.12790	1.7
200.57912	0.2
201.05498	0.9
201.13925	0.7
206.12891	0.3
218.15443	0.7
223.15623	0.2
224.13802	0.2
224.16270	0.2
227.15123	0.6
235.18028	0.2
236.16476	2.8
241.39276	0.2
254.17570	1.2
255.14595	0.7
260.16016	0.4
263.18759	0.2
265.08557	0.2
273.15622	0.3
277.19226	0.3
279.17093	0.6
279.87781	0.1
295.20151	2.4
313.21213	2.0
319.21457	0.7
325.10681	0.3
329.20547	0.3
331.22272	5.0
337.22311	1.2
338.20645	0.3
355.11517	0.2
355.19168	0.3
355.23450	2.0
356.21658	0.6
364.21912	0.2
373.24469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14182	0.8
60.90993	1.0
68.60217	0.9
69.03795	0.9
70.02330	0.8
70.06579	3.5
72.04505	4.9
72.08159	14.5
78.52954	1.0
81.27407	0.9
84.05629	2.2
84.08150	1.1
86.09715	10.5
87.96906	0.9
95.08613	0.9
96.05611	1.3
112.07522	0.9
114.09173	47.7
126.06662	1.3
129.10210	1.2
136.08740	2.0
138.06615	1.6
147.11243	1.1
150.10268	1.1
167.12984	1.3
178.13452	1.9
193.04936	1.5
196.14490	1.9
196.78627	1.1
197.13965	10.7
206.12923	8.5
209.13942	4.6
223.15572	2.0
224.13928	6.2
239.15044	7.8
249.17165	9.3
251.15057	19.6
265.16650	1.2
291.21808	6.1
296.19699	1.0
309.22803	2.3
319.21237	17.3
337.22345	47.8
355.23407	100.0
373.24420	51.7
373.28226	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	373.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18514	4.0
51.20562	4.0
55.05510	21.9
60.07545	4.4
64.57584	4.9
67.05519	52.5
69.07066	22.3
79.05485	20.5
81.07064	100.0
83.08620	22.4
86.90215	5.0
87.00838	20.5
91.05457	10.6
93.07043	34.1
95.04995	8.0
95.08611	74.5
97.06538	5.7
97.10160	21.9
99.08073	4.8
101.60440	5.2
105.07034	8.0
107.08605	35.8
109.06522	8.9
109.10160	83.9
111.08109	9.8
119.08587	11.3
121.10139	62.3
123.11686	37.1
131.08487	5.9
133.06467	5.3
133.10118	10.9
135.08044	7.6
135.11696	48.7
137.05922	6.0
149.13255	25.4
153.05444	5.3
163.03838	8.8
173.13266	6.4
175.07564	5.6
193.67183	5.5
205.19507	50.3
212.53273	5.5
215.18025	24.3
227.49461	5.4
233.19035	49.8
234.96977	4.6
239.02339	6.6
241.21700	5.3
249.18591	7.6
251.19991	38.4
269.20871	5.7
290.46194	4.8
309.20419	5.5
330.23788	6.1
341.13531	6.4
366.16891	4.6
373.22211	31.8
379.05792	4.9
390.51801	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	373.2226
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05509	1.9
57.03430	1.1
60.55606	1.2
67.05505	1.9
69.07061	9.0
79.05496	2.0
81.07053	6.4
83.04973	7.9
83.08611	2.7
85.02902	2.8
85.06551	1.4
93.07030	2.0
95.08611	14.7
97.10167	1.8
99.08088	2.8
100.07619	6.5
105.07040	2.4
107.08606	8.5
109.06541	5.6
109.10173	58.1
119.08590	21.7
121.10135	9.7
123.08054	7.0
123.11696	3.3
125.55515	1.4
133.10107	15.1
135.10715	2.9
135.11705	66.3
137.09604	13.4
149.13260	5.3
151.11189	5.4
151.14839	10.2
153.12781	2.8
162.53825	1.3
164.04602	1.4
165.16379	2.2
167.06982	2.2
175.14822	29.4
177.23740	1.4
185.29727	1.5
193.15895	34.3
211.16942	100.0
290.15662	1.3
313.10983	1.5
373.12573	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05516	2.8
67.05524	3.3
69.07067	6.6
72.89661	1.5
81.07066	7.1
83.04977	8.3
83.05446	1.5
83.08633	2.9
87.69260	1.5
93.07039	5.4
95.04946	1.5
95.08615	17.3
96.63956	1.3
105.07060	2.3
107.08620	13.1
109.06564	3.0
109.10166	72.0
111.08021	1.6
119.08593	19.3
121.10200	10.2
123.08096	10.9
123.11720	3.4
124.10327	1.6
126.85940	1.4
133.10155	16.1
135.11703	72.2
137.05998	3.6
137.09653	13.9
147.04376	1.6
149.13271	3.5
151.11224	6.7
151.14799	10.7
153.12793	2.7
165.16389	1.6
167.07066	8.4
175.14824	26.6
193.15884	33.1
201.05492	3.4
211.16945	100.0
235.07545	2.6
253.08740	2.4
253.79964	1.4
259.26910	1.7
277.23587	1.5
283.09634	1.8
295.09821	1.8
312.09869	1.8
313.10834	1.7
340.07721	1.4
355.11768	8.5
373.12939	7.4
373.17178	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	373.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43336	0.2
53.18018	0.3
55.07957	0.3
55.84259	0.3
58.06591	0.6
65.34743	0.3
95.66862	0.3
101.73000	0.3
111.62536	0.3
134.09724	0.4
144.08090	27.3
145.08879	1.6
158.09627	3.4
160.11285	0.4
168.48370	0.4
170.09647	100.0
171.10425	33.1
172.11188	0.6
184.11273	1.3
187.12378	0.8
201.13873	5.4
202.14662	30.8
212.14415	0.5
215.15491	0.8
269.20047	0.6
298.18082	3.7
304.57385	0.4
329.22229	14.5
329.25919	0.7
373.21219	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.8
60.40353	0.5
67.05480	0.5
69.07043	0.7
79.05434	0.6
81.07048	0.9
83.04995	0.8
84.08131	1.1
84.32716	0.5
91.23012	0.5
93.07005	0.6
95.08615	1.2
99.21763	0.6
104.43812	0.6
107.08573	1.1
109.10178	6.3
114.09152	1.0
114.61367	0.6
119.08569	2.4
133.10124	1.1
135.11699	6.0
143.11800	2.8
144.08096	24.1
145.08867	0.7
158.09578	3.3
170.09650	100.0
171.10432	26.6
171.11876	1.0
175.14780	3.3
186.09134	3.0
187.12349	0.9
193.15883	3.1
201.13864	3.8
201.55524	0.7
202.14645	25.3
211.16914	6.2
215.15486	1.1
286.35965	0.6
298.18008	1.0
313.10397	0.9
329.22241	12.4
373.21207	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63902	2.2
63.15039	1.6
66.11613	1.9
67.57799	1.7
80.90356	1.8
81.07072	3.8
93.07044	1.9
95.08641	2.5
97.10167	2.2
98.97578	11.9
107.08516	2.1
109.10145	2.6
116.98611	8.2
126.49529	2.2
135.11615	1.9
137.81300	1.7
142.85394	1.9
143.11769	2.2
155.77794	2.1
168.28073	1.9
179.06931	2.0
189.36363	2.0
237.61476	1.8
239.13211	3.9
255.12672	16.2
257.14236	100.0
273.13699	6.9
275.15222	34.7
299.15326	12.2
373.12650	2.0
373.13449	2.2
373.19006	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	373.1649
Annotation	Denudanolide C
Peak:m/z	Relative Intensity
55.01871	0.7
61.12587	0.5
84.04955	0.5
85.15546	0.5
91.05467	2.8
103.05499	0.6
105.07025	8.4
107.04948	2.9
115.05467	4.0
117.07013	2.5
119.08573	7.4
123.04387	0.7
128.06181	0.7
129.06978	3.2
131.04897	1.2
132.05711	4.1
133.06493	12.6
141.06963	2.0
143.04930	0.6
144.08080	2.8
145.06502	0.7
145.08403	2.2
147.08041	11.1
157.06487	0.7
159.07993	1.9
160.05206	3.3
161.05975	13.3
163.07510	0.7
167.07031	62.8
169.06480	3.8
170.09644	8.9
171.09982	10.9
172.10789	3.5
175.07536	100.0
178.06125	0.5
181.08644	0.9
186.06685	1.8
187.07532	11.1
188.08237	0.8
189.09094	0.8
191.07010	3.0
192.15010	0.5
193.08598	45.4
201.09093	7.0
202.14575	2.1
203.08580	0.5
203.15005	3.4
231.07999	1.0
248.08318	0.8
259.07431	1.2
263.10663	2.0
291.10065	2.7
308.10486	0.6
323.12857	2.1
355.15390	21.8
373.16452	5.2
373.23114	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	373.1651
Annotation	MEGxp0_001756
Peak:m/z	Relative Intensity
53.72956	0.8
63.33598	0.9
63.51497	0.8
64.93765	0.9
69.03396	1.0
70.06552	1.3
72.08157	1.6
79.05487	3.9
79.59010	1.0
86.09689	1.4
91.05471	4.8
95.04937	1.2
97.06447	0.9
103.05466	9.4
105.07038	15.9
107.04963	17.6
109.06426	0.9
109.10135	1.2
115.05458	2.1
117.07003	4.6
118.04156	2.2
119.04979	1.3
119.08578	5.2
121.06495	1.4
123.04399	2.0
125.06023	0.9
129.06976	1.5
131.04926	28.7
132.05710	2.0
133.06488	23.3
135.08073	2.1
135.99182	1.1
137.05983	12.4
139.03943	6.9
141.06944	3.7
145.06508	4.1
147.04393	5.5
147.08070	10.5
148.05211	4.1
149.06015	2.0
151.07559	4.1
153.05493	1.2
157.06480	1.3
159.04489	1.4
159.08083	1.6
160.05183	2.2
161.05991	26.1
163.07541	14.1
167.07033	63.2
169.06482	5.7
170.09644	1.4
173.05978	1.8
173.09642	1.6
175.07538	96.6
176.04680	5.1
177.05449	3.1
177.09157	2.1
178.06302	1.2
178.07736	1.1
179.07043	1.2
181.08650	4.1
186.06651	1.1
187.07544	9.9
191.07034	73.3
192.07777	6.7
193.08609	100.0
201.09209	7.2
205.06592	2.2
207.08113	5.5
208.08745	1.3
209.09621	4.2
219.08180	1.5
219.10187	4.4
220.08827	5.3
221.09598	2.1
222.06776	1.1
225.09142	1.5
231.08032	3.5
233.06030	1.3
234.06818	3.9
234.10352	1.1
235.07556	9.8
235.11127	10.6
236.08284	3.5
237.09059	9.0
242.01466	1.0
245.09660	1.7
247.07460	1.8
248.08331	6.3
249.09039	1.9
251.07033	4.0
251.10692	1.2
252.07764	4.4
253.08580	1.4
254.09390	2.0
259.07587	4.2
261.09219	1.2
262.09830	6.4
263.07098	6.0
263.10654	15.3
264.07825	3.9
264.11371	3.9
265.08667	11.0
266.09387	5.4
267.07324	1.1
267.10101	10.4
269.11826	2.9
273.09146	1.3
276.07742	4.1
277.08511	7.2
278.09274	1.3
279.06894	1.5
279.10144	6.1
280.07306	4.7
280.10947	5.8
281.08209	4.8
281.11722	5.1
282.08884	4.9
283.09650	1.6
285.07571	4.3
290.09338	2.3
291.10092	12.8
292.10791	1.4
293.08081	5.0
293.11823	1.2
294.08804	1.9
295.09659	22.2
295.13153	7.5
296.10458	1.4
297.08179	1.3
297.11203	10.3
299.09146	13.1
307.09717	1.3
308.10522	12.1
309.11249	37.7
310.11926	8.0
311.08899	4.0
311.12497	1.4
312.09793	2.0
313.10721	1.7
313.14233	1.7
314.11542	14.6
323.12805	17.7
324.13538	1.5
325.10782	4.6
326.11459	1.9
327.02121	1.2
327.12296	17.8
329.13849	35.9
340.13208	6.0
341.13849	37.8
342.14502	1.4
355.11105	1.4
355.15433	33.7
358.13803	1.5
373.16486	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1498
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01876	1.1
57.03440	3.6
67.05509	1.7
68.43974	0.6
69.03418	0.6
70.06597	7.6
71.05002	17.6
71.70161	0.8
72.08153	5.4
79.05505	3.1
81.03423	1.1
81.07081	0.8
83.04979	1.4
84.04506	5.2
84.08148	8.0
85.02902	0.8
85.06561	3.2
86.09718	29.5
87.00835	5.3
91.05493	4.2
93.07054	5.8
95.04983	1.4
95.08595	1.0
97.06541	0.8
101.06017	1.1
102.05546	1.0
105.07034	11.0
107.04956	4.2
107.08614	5.0
109.06534	1.7
112.07616	1.3
113.06026	5.4
114.09169	3.6
116.07100	9.7
117.07027	7.9
119.04980	1.3
119.08560	10.3
121.02866	1.7
121.06508	3.8
121.10189	0.7
123.08089	4.0
125.05977	0.8
129.06967	3.3
129.10225	7.3
130.05014	1.8
130.08633	1.6
131.04959	1.1
131.08554	7.5
133.06506	9.9
133.10141	4.6
135.08057	17.5
137.05995	3.1
137.09586	0.8
139.07579	1.6
141.06998	0.9
141.20811	0.7
143.08586	6.8
145.06488	8.8
145.10133	16.6
147.04416	0.8
147.08002	6.3
149.06001	1.6
149.09613	5.0
151.07568	3.4
153.09149	1.3
155.08553	3.7
159.08018	3.3
159.11696	8.9
161.06024	5.6
161.09604	9.3
163.07544	7.2
163.11171	3.6
165.05450	1.4
165.09081	1.3
169.10155	7.9
171.08072	0.9
172.04318	1.2
173.09642	7.4
173.12854	1.5
175.07590	2.9
175.11212	4.1
177.12735	5.3
179.06995	1.5
179.10667	3.5
181.08571	1.7
183.06551	0.8
187.11186	17.1
191.07066	2.9
191.10681	2.9
193.08603	3.3
197.08090	1.0
197.13965	3.6
200.12865	1.0
205.12254	47.4
209.08084	1.8
211.09621	0.9
215.10609	3.7
223.13306	49.5
233.11688	13.7
235.05974	1.2
240.13428	3.1
251.12779	11.2
258.14471	1.2
269.13831	34.2
297.09695	1.8
319.11774	1.6
329.14044	1.0
337.12808	30.8
355.13876	100.0
364.22025	3.2
373.14670	21.5
373.24533	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	373.1288
Annotation	Naphthgeranin C
Peak:m/z	Relative Intensity
55.01869	2.9
62.98557	2.7
72.08144	4.7
74.37851	2.8
75.50258	2.9
91.05479	4.2
93.07048	3.3
95.04946	3.2
105.54947	2.7
107.04978	13.0
108.33250	2.9
114.09160	2.8
115.05425	5.6
117.06947	3.6
120.94989	3.2
121.06522	3.5
123.04456	6.1
137.05968	6.0
145.06482	6.0
145.52458	3.1
153.05458	7.2
158.07321	3.5
160.05229	4.7
165.05443	3.6
167.07013	27.2
170.09656	5.6
173.05969	16.6
175.07599	12.1
175.60181	3.5
180.07878	6.4
186.03059	6.1
186.09129	6.4
201.05424	35.0
203.06985	3.6
207.08049	15.7
219.06430	7.1
220.05257	4.6
221.06033	3.5
235.07582	28.1
248.04652	3.8
249.05363	3.7
249.09258	3.7
252.07660	6.9
253.08499	5.1
262.06296	5.7
263.07007	27.3
267.10168	15.0
277.08469	3.5
280.07364	16.3
281.08179	4.3
295.09674	14.4
308.06879	5.5
322.08124	7.3
323.09247	12.2
327.12219	3.7
337.10809	18.7
341.10175	13.1
351.15225	3.4
355.11780	100.0
373.12698	49.0
373.16342	3.4
385.06265	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	373.1289
Annotation	5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone
Peak:m/z	Relative Intensity
58.03849	2.8
65.90353	2.4
66.00460	2.7
69.99496	2.6
88.41991	2.5
92.17734	3.0
107.05016	2.5
111.04440	17.1
114.09132	3.0
114.83772	2.8
125.92291	2.6
137.05978	5.0
139.03856	16.6
144.08083	12.6
144.82010	2.6
149.06003	3.7
151.03877	4.6
159.08063	5.9
167.03317	4.8
167.06990	13.3
170.09634	42.2
171.10484	6.0
179.08521	3.1
191.07062	3.0
194.07344	3.8
195.08080	3.6
201.05354	3.2
202.14645	10.2
211.07474	5.3
222.06741	5.4
225.09067	4.8
235.07738	4.5
236.08313	4.4
237.09114	22.6
239.07028	17.8
251.07161	3.6
253.08513	5.8
254.09416	5.8
255.10159	4.4
265.05716	3.3
265.08673	13.2
267.09955	3.5
269.11722	4.5
271.09662	3.3
281.08020	3.0
282.08902	4.3
283.09634	6.2
285.11008	4.0
293.08157	3.4
295.09720	3.5
297.11328	11.9
299.09100	6.3
311.09134	4.5
313.10703	14.6
325.10645	16.5
327.12427	4.4
341.10159	5.7
343.11765	100.0
345.13080	3.6
355.11697	22.4
355.15515	3.7
373.12714	43.0
373.16940	4.8
373.20892	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	373.1282
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
55.05528	1.5
55.75196	1.2
56.34589	1.3
64.76118	1.2
67.05511	2.5
73.95757	1.3
81.07060	5.8
83.04978	1.8
92.59682	1.3
93.03408	1.8
93.07057	2.9
95.08635	1.9
100.25132	1.5
102.73013	1.7
103.05514	1.5
111.04444	18.0
114.09206	1.8
121.10179	1.9
123.04477	1.6
123.11706	1.5
125.05965	1.9
131.04907	2.2
133.06552	1.6
135.11757	1.7
139.03940	11.4
144.08098	10.0
151.03906	7.0
153.05457	2.3
158.07243	1.5
159.08081	7.6
161.05901	4.5
163.07480	1.6
167.03412	6.8
167.07045	15.7
170.09656	28.4
171.10429	5.1
175.07484	2.2
177.05525	2.2
178.06273	2.5
179.08598	1.8
187.07585	3.3
187.09904	1.5
202.14694	6.4
205.06462	5.8
205.19521	2.6
205.69398	1.4
206.07295	2.5
209.09630	8.9
211.07541	2.9
218.56802	1.4
219.08168	1.8
222.06706	2.6
223.07704	2.1
227.07053	1.7
233.06090	2.5
235.07637	2.3
236.08316	5.9
237.09105	16.2
239.07019	10.8
241.08600	1.6
250.06311	6.2
251.07114	7.0
253.08633	8.0
253.31253	1.5
254.09424	6.1
255.10188	6.1
256.07404	3.3
264.07803	2.8
265.08572	11.6
266.09436	1.8
267.06494	2.6
267.10123	1.5
269.11786	2.7
271.09647	1.7
282.08963	2.5
283.09552	9.6
287.12677	2.7
293.08258	2.3
295.09521	3.3
297.11160	9.6
298.08289	1.4
299.09192	9.9
300.09891	2.6
311.09283	7.2
313.10703	2.9
315.12152	2.4
325.10712	15.9
343.11755	100.0
355.11694	3.4
373.12592	18.7
373.20950	11.9
394.92349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1283
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
51.33526	1.8
53.57445	1.3
63.89658	1.5
64.36175	1.7
65.03915	2.0
75.83085	1.6
83.57517	1.6
91.05489	6.9
95.05000	6.8
107.04967	7.2
108.86396	1.9
115.05434	3.9
119.04925	3.7
121.02874	1.9
123.04427	2.1
131.04924	3.4
137.05971	7.0
140.04657	2.3
143.04948	7.7
145.06491	11.7
147.04451	2.3
149.05960	3.3
153.05489	12.6
159.04457	2.4
159.07977	1.9
160.05222	9.2
161.06035	3.1
165.05576	2.1
166.69394	1.8
167.07053	31.1
167.08426	2.8
169.06549	2.0
173.06006	23.8
175.07484	12.9
177.05524	8.0
179.07127	2.8
179.08559	3.9
180.07835	2.7
181.05032	1.9
186.03188	7.5
187.03941	4.4
191.07129	3.0
201.05469	37.8
203.06995	6.1
205.06570	2.1
207.08075	16.3
217.06441	2.1
219.06369	14.0
219.08345	2.2
220.05209	7.6
221.05959	4.3
233.06071	2.9
234.06715	6.6
235.07544	36.0
237.05424	1.9
237.09070	2.0
247.07651	2.9
248.04770	3.3
249.05363	3.8
252.07771	10.7
253.08537	3.6
257.08090	2.7
262.06229	3.8
263.07040	25.7
264.07880	7.2
265.04962	3.4
267.10138	12.0
276.07913	2.5
277.08649	4.1
279.06747	3.2
280.07364	19.2
281.08096	8.6
283.06247	1.8
286.16342	2.3
290.05643	2.9
291.06558	3.1
295.09644	21.9
297.07645	2.8
305.08057	3.9
308.06863	7.1
309.07736	2.3
312.10083	3.1
313.10831	10.1
322.08414	8.8
323.09189	24.2
327.12302	9.3
337.10742	20.0
340.09225	2.5
341.10257	23.3
355.11771	100.0
359.73563	1.9
373.12796	61.3
373.16901	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	372.311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	67.9
65.80257	64.7
79.45293	75.4
87.96802	73.9
98.64047	66.6
105.93285	70.3
111.56087	64.5
204.80991	65.9
354.27148	100.0
394.08566	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1282
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
72.08146	1.9
72.73544	1.1
80.12855	1.0
90.04741	1.1
91.05466	1.7
93.07006	1.3
95.04971	1.3
98.82956	1.2
102.25569	1.1
105.07030	5.2
107.04975	2.9
109.06465	1.1
115.05494	2.0
119.04920	1.9
119.31499	1.0
123.04434	1.8
137.05992	6.6
142.03949	1.1
143.04956	2.5
145.06477	5.8
147.04445	1.8
153.05484	12.9
158.03732	1.5
159.04419	2.3
160.05183	5.3
161.05984	1.8
167.07033	20.1
173.05988	10.8
175.07480	9.0
177.05490	1.4
179.07156	1.3
180.07759	4.2
186.03169	8.2
187.03922	2.6
201.05464	47.5
201.07214	2.3
203.07063	4.8
203.40514	1.1
206.11826	1.3
207.08055	9.8
207.12125	1.5
211.07494	1.6
211.51955	1.2
218.07243	2.9
219.06496	5.7
219.08345	1.7
220.05208	7.0
221.06015	2.9
224.08293	1.6
234.06740	5.5
235.07527	28.0
236.08366	2.2
237.05452	2.4
245.05983	1.4
248.04709	5.2
249.05553	4.4
249.09044	2.5
251.07056	5.0
252.07806	7.9
253.08537	1.7
262.06265	7.1
263.06992	24.1
264.07846	7.2
265.05106	5.4
266.09558	1.4
267.10089	9.3
276.07922	6.1
277.08661	1.5
279.06531	5.5
280.07245	13.8
281.08148	2.1
290.05554	2.4
291.06439	2.8
293.04465	2.6
293.08026	1.6
294.09027	4.9
295.09650	20.1
297.07629	1.8
305.08148	2.1
308.06793	8.1
309.07751	1.4
312.09988	2.5
313.10721	1.5
322.08408	6.7
323.09109	20.6
327.12228	9.5
337.10736	20.2
340.09604	1.6
355.11774	100.0
373.12848	31.6
373.17996	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	372.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05663	0.6
60.08173	17.0
68.98479	0.5
78.82263	0.6
80.03204	0.5
95.06089	45.9
116.07056	0.9
120.88662	0.5
130.09729	0.7
154.13393	67.1
175.11877	7.1
195.61023	0.6
198.12381	100.0
372.23358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67230	12.2
56.46460	15.3
64.29600	14.3
64.43764	12.8
68.03194	13.4
68.54157	19.2
69.51624	14.8
70.45971	14.1
71.63290	14.8
92.31062	15.1
114.35877	17.6
159.50177	15.7
191.71794	17.0
278.79672	14.9
351.68558	24.3
354.33676	100.0
372.31024	90.5
372.35098	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	372.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02611	0.7
58.06585	0.9
67.60873	0.7
70.06581	3.2
70.18136	0.7
86.09668	1.0
91.05504	0.7
104.52470	0.7
105.47201	0.7
108.73396	0.7
122.02757	0.7
144.08102	28.0
145.08861	1.5
145.10025	0.9
158.09549	0.9
159.11687	1.5
161.13281	1.0
170.09651	100.0
171.10439	23.6
198.09151	3.0
201.13843	5.7
202.14674	28.1
214.18022	0.9
284.11227	0.8
336.25275	0.8
354.17157	0.9
372.18832	3.5
372.22839	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	372.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89721	0.4
58.06593	0.6
64.08259	0.4
76.51395	0.5
108.85126	0.4
119.08578	1.0
133.10136	0.7
144.08087	25.1
147.08046	1.2
158.09641	0.7
161.09602	3.2
170.09642	100.0
171.10423	23.8
189.09062	0.9
201.13835	5.1
202.14658	21.9
207.10130	2.3
241.49570	0.6
360.17493	0.6
372.22845	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24325	0.3
52.47859	0.3
55.05521	0.4
56.96558	0.4
58.88570	0.3
60.07541	0.3
67.05506	0.5
71.08634	0.4
73.57246	0.3
81.03430	0.4
81.07063	0.5
83.04990	0.3
83.08614	0.5
89.87605	0.3
91.05493	0.5
92.17856	0.3
93.07042	0.5
95.04943	0.5
105.07076	0.5
107.08563	0.4
111.16956	0.3
116.05318	0.4
117.07011	0.4
119.08552	0.5
121.10107	0.3
133.10133	1.3
135.08078	0.5
143.08531	0.4
145.10182	0.5
157.10136	0.4
159.11710	0.3
161.09607	0.7
171.11746	0.3
185.04872	0.8
185.13272	0.5
208.04095	0.5
211.74953	0.3
212.16418	0.7
217.07466	0.4
217.12367	0.3
219.03290	0.8
226.05089	1.6
237.02309	0.3
237.04289	3.1
244.19162	0.5
252.06783	0.4
262.08691	2.6
275.20163	0.5
277.11276	0.8
280.09784	4.5
293.10779	0.5
293.21210	1.4
298.10989	1.7
301.21704	0.6
319.22534	3.0
331.15805	36.7
337.23785	2.2
349.16879	100.0
359.18857	0.5
367.18005	2.1
372.18442	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	372.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23661	0.5
56.96570	0.6
63.52687	0.4
91.21596	0.4
112.84023	0.4
117.22292	0.4
136.48015	0.4
150.58859	0.4
159.27074	0.4
167.04041	0.6
173.11504	0.4
199.06380	3.1
203.05927	0.6
203.70786	0.4
208.04037	0.6
217.07504	2.6
226.05110	0.5
237.04243	1.7
262.08768	2.1
267.09088	0.9
269.14389	0.5
279.09247	0.6
280.09637	3.7
296.46231	0.4
307.15836	1.8
308.28278	0.4
331.12704	1.1
331.15790	35.2
349.16867	100.0
354.33640	0.8
367.18097	2.7
372.18433	5.0
372.23355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	5.5
68.44090	0.4
68.69180	0.4
69.07063	1.6
70.06597	100.0
72.08153	0.6
79.05534	0.4
84.08159	1.7
86.09712	0.5
87.38514	0.4
88.34520	0.5
92.73320	0.4
94.06582	2.6
95.04968	7.6
95.31824	0.4
107.08590	0.5
109.10178	0.9
112.07611	16.1
113.06021	0.8
130.08661	2.0
137.06026	0.6
138.05470	0.6
147.04466	0.5
328.17520	12.7
354.14536	0.7
372.16550	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	372.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01746	0.9
53.03963	1.1
57.91910	0.8
69.03436	8.2
71.04977	1.7
79.05503	12.7
81.07067	20.4
83.04981	5.8
84.04503	6.5
91.05492	9.9
93.07058	6.6
95.04950	0.9
97.02880	1.1
97.06531	4.4
99.04456	13.5
99.19301	0.9
102.05546	5.0
105.07043	18.2
107.04929	8.0
107.08605	1.6
109.02882	10.1
109.06528	4.1
109.64929	1.0
111.04456	4.4
117.07053	1.0
119.08585	52.5
121.06525	1.2
121.10135	5.1
125.06007	15.8
127.03919	18.0
129.07080	1.1
130.04956	9.8
133.06473	0.9
133.10135	41.1
137.06012	1.1
137.09558	1.5
143.07057	5.2
143.08571	18.6
145.10149	8.9
147.08054	64.4
147.09227	2.2
148.06050	36.9
161.09610	100.0
163.11246	3.8
165.09044	7.8
171.08081	5.0
174.06746	6.8
179.10678	16.7
181.12257	1.6
186.31010	1.0
189.07391	1.2
189.09111	57.7
207.10162	85.4
225.11226	24.0
268.09219	1.3
270.72485	0.9
314.14352	1.0
372.16434	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	372.1447
Annotation	Papaverrubine D
Peak:m/z	Relative Intensity
70.06304	0.5
70.06604	7.7
72.08131	0.8
74.25417	0.6
77.59006	0.5
100.37078	0.6
120.08163	0.9
121.06439	0.6
135.04407	0.7
146.08754	0.7
147.04401	7.0
161.15918	0.6
163.03905	61.2
179.09151	0.6
181.04976	3.6
189.01831	100.0
207.02898	49.3
252.08655	19.7
262.24438	0.7
267.53043	0.7
283.09686	3.7
327.08640	25.2
372.14426	62.4
372.21951	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	372.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79784	0.5
54.16985	0.5
54.82217	0.5
63.05095	0.6
70.06614	6.3
72.08125	0.6
86.07693	0.7
92.18410	0.7
107.04903	0.6
120.08111	1.0
123.04433	0.6
129.36292	0.5
147.04401	7.5
155.79132	0.6
163.03905	64.4
163.78513	0.7
181.04982	3.3
189.01831	100.0
207.02888	52.6
252.08684	17.2
283.09711	5.1
327.08618	22.2
372.14413	61.4
372.22461	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	372.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06570	0.5
70.06592	4.0
72.08134	2.6
75.15237	0.5
81.03416	1.0
84.05111	1.0
84.05627	23.0
84.08176	1.0
85.02897	1.2
89.04263	1.3
97.02882	0.7
98.07179	0.9
99.05554	0.7
104.72102	0.6
106.06554	20.5
108.08173	0.6
110.07164	0.5
112.05086	0.9
114.10295	0.7
122.07133	0.7
124.05053	1.2
124.07594	7.0
138.06645	1.1
140.08182	10.7
142.06139	0.8
148.07582	1.1
156.06439	0.5
163.03922	3.2
166.06187	4.4
184.07188	4.8
192.06436	0.6
194.08081	4.3
195.12502	0.6
197.20070	0.6
202.08331	1.0
208.10811	1.3
236.10385	1.9
240.14377	0.7
250.31784	0.6
254.11337	59.2
276.09814	0.7
280.12753	1.1
282.11005	5.4
286.12759	2.2
290.11151	0.8
292.12970	2.8
294.10733	2.3
308.12476	3.0
310.13986	15.3
312.11905	1.3
318.10867	3.2
326.13345	0.9
328.13724	0.9
336.11832	5.3
354.12952	19.7
372.13943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	2.8
58.06596	1.3
61.49441	0.4
66.01270	0.3
67.05501	0.8
69.07062	0.6
71.08624	1.7
81.07063	0.6
83.08611	0.5
85.10187	1.8
95.08626	2.8
97.10155	0.6
108.79697	0.3
109.10153	2.5
111.11726	0.5
120.61069	0.3
123.11694	1.6
177.00331	0.4
211.20557	2.5
229.32744	0.4
268.26346	100.0
371.32681	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	14.3
61.91764	6.8
62.78555	7.0
62.90151	7.2
67.05503	47.1
69.07062	16.8
79.05479	15.3
81.07080	69.6
83.08601	14.2
93.07056	16.6
95.08608	57.4
97.10134	15.4
107.08614	19.3
109.10149	19.1
121.10133	15.2
123.11737	12.3
125.09629	15.0
135.11699	15.7
136.76358	8.4
152.65988	9.2
183.13882	12.3
188.61438	8.6
193.81874	8.7
261.21994	9.2
279.23184	48.3
353.26892	100.0
371.27737	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.3
57.03440	5.7
57.07084	44.3
57.24606	1.4
67.05511	32.7
69.07079	6.1
70.06583	8.3
70.06937	1.3
71.01338	2.2
71.04983	2.3
79.05495	3.4
81.07064	38.9
82.67382	1.4
83.08615	8.0
91.05513	1.6
93.07039	10.2
94.54986	1.4
95.08617	35.9
96.39690	1.4
97.06551	1.7
97.10180	2.0
107.08583	7.3
107.91212	1.5
108.05469	1.7
109.10157	27.3
115.08546	1.9
119.08566	2.2
121.10119	6.7
121.61914	1.6
123.11670	12.8
127.11192	13.6
132.83617	1.4
135.11725	9.8
137.13284	3.4
147.11708	2.4
153.12775	3.0
155.14307	5.7
159.11472	1.4
169.12221	50.4
172.26248	1.6
173.13239	2.6
179.23035	1.5
209.15094	1.7
213.83148	1.6
261.22205	2.3
274.96945	1.5
279.23157	25.5
315.49121	1.5
346.73657	1.4
353.26834	100.0
371.32761	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	371.2329
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
50.04480	0.4
50.18864	0.3
53.47230	0.4
60.18520	0.4
62.23175	0.4
81.07064	0.9
81.93451	0.4
83.64677	0.4
85.02900	0.5
92.06004	0.4
94.13522	0.4
95.08559	0.4
96.50787	0.5
97.02883	0.5
97.96862	0.4
105.07002	0.4
115.90413	0.4
144.08087	25.0
145.08875	0.9
158.09679	0.9
170.09644	100.0
171.10420	36.9
175.07597	0.6
201.13901	4.0
202.14647	42.6
203.10345	0.5
246.12061	1.8
249.08943	0.4
259.85791	0.4
269.20078	0.5
276.09393	0.8
290.11145	0.6
300.09604	0.7
336.11591	10.2
371.23276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2291
Annotation	Ala-Leu-Ala-Pro
Peak:m/z	Relative Intensity
65.50848	0.5
66.95280	0.5
72.04499	0.9
72.08141	3.4
75.30953	0.5
84.05622	9.6
92.17845	0.5
98.07185	1.1
99.07949	1.2
112.08723	0.9
113.09495	1.2
114.09162	28.0
117.38451	0.5
126.10291	1.2
138.10248	2.6
141.05444	0.8
173.13966	0.7
197.13966	49.0
198.14792	0.6
222.12370	3.0
240.13370	5.5
259.42886	0.5
289.20187	1.3
291.21594	2.3
292.16382	0.6
294.17981	2.7
307.21213	4.1
309.22830	0.8
335.20758	8.4
353.21808	60.7
355.02222	0.6
371.22864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2294
Annotation	Ala-Leu-Ala-Pro
Peak:m/z	Relative Intensity
50.77224	0.4
55.05512	0.6
65.29961	0.5
70.06579	2.7
71.15088	0.5
72.04520	1.9
72.08151	4.5
81.07043	1.0
84.05650	0.7
84.08147	12.5
91.05493	0.5
95.65888	0.4
107.05025	0.5
112.07584	0.7
114.09173	29.6
115.08649	1.0
117.07009	0.9
121.02834	0.8
121.06398	0.5
127.08686	2.0
129.67894	0.6
131.11787	0.7
135.08076	0.9
137.05991	0.6
137.09593	0.6
143.11803	22.2
146.66838	0.6
156.11368	0.7
157.09764	0.7
163.07539	2.5
164.10693	1.1
166.08615	2.5
167.07043	2.8
173.12750	0.8
173.14029	2.1
175.07567	0.5
197.14014	7.9
215.15158	0.9
216.13979	4.7
225.13354	0.8
227.14958	1.9
233.16618	0.8
234.14883	3.3
235.11845	0.9
241.11613	0.5
251.17543	2.5
252.15944	3.2
253.13016	1.2
261.09186	0.6
269.18631	0.9
270.16818	0.7
271.13852	0.6
272.12384	0.7
275.17450	0.9
286.11069	0.5
289.15057	2.6
295.16495	1.1
298.36105	0.6
307.82184	0.5
311.19580	0.8
325.22534	0.9
329.20700	8.5
341.13803	0.6
353.13889	0.5
354.16568	0.6
354.20270	7.0
371.22891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2293
Annotation	Ala-Leu-Ala-Pro
Peak:m/z	Relative Intensity
70.06596	0.4
72.04497	0.6
72.08161	2.1
84.05646	0.6
84.08151	6.9
87.49208	0.2
93.07038	0.2
95.04961	0.4
95.08547	0.3
100.77685	0.3
103.57149	0.2
105.16270	0.2
113.10784	1.9
114.09173	13.9
114.33080	0.2
115.08655	1.1
119.08556	0.3
137.09610	3.7
143.11804	12.0
154.12260	0.9
156.11295	2.9
163.07541	0.3
173.13966	2.4
176.11879	0.3
185.13980	1.2
194.12874	0.6
197.13986	6.8
204.11343	0.2
205.48709	0.3
211.31766	0.3
221.66928	0.3
234.14845	0.2
235.15506	0.4
240.13359	0.6
252.15813	0.4
258.14450	1.0
289.20190	0.5
307.21329	3.2
309.22885	0.5
312.19357	0.3
325.22430	1.9
335.20749	1.1
344.66925	0.3
353.21844	8.1
354.20175	0.5
371.22894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33921	0.6
56.37279	0.5
60.04499	0.7
60.05662	0.7
61.43618	0.5
66.66041	0.5
67.18205	0.5
70.06577	2.7
71.62570	0.5
72.04515	4.0
72.08163	8.7
72.41697	0.7
73.06479	0.6
81.07047	0.9
84.05623	2.5
84.08153	8.8
85.06567	0.8
87.04469	0.7
89.06036	24.1
93.07070	1.2
95.08637	1.0
98.06065	0.8
100.05138	1.2
100.07624	3.0
102.54031	0.6
105.07040	1.3
109.06548	0.7
112.07619	1.0
113.10766	2.8
114.09181	43.7
115.08669	2.5
116.84863	0.6
121.06626	0.8
123.08068	1.0
131.11815	0.6
133.08603	11.9
134.09601	0.8
135.08054	0.7
137.05995	1.0
138.10251	1.1
138.23256	0.6
143.11794	9.1
152.08199	1.3
154.09726	2.9
155.73531	0.7
156.11360	4.6
162.09135	0.9
173.13983	11.5
177.11191	4.9
194.09303	1.4
196.10893	1.1
197.13992	18.8
213.13470	16.5
215.15167	0.8
221.13951	2.5
225.13385	2.6
227.15096	1.0
240.13293	0.8
252.15984	0.8
271.13977	1.2
312.19183	9.7
317.19693	3.0
321.22809	0.8
335.20856	2.8
339.20383	1.5
353.14072	0.9
353.21857	12.5
371.22849	100.0
371.26260	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	371.2068
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.88959	0.8
55.05508	1.4
57.03439	0.9
57.46818	0.8
67.05496	4.5
69.03437	7.6
69.07074	1.3
70.06580	3.4
71.04990	1.9
72.08151	2.1
75.21352	0.8
79.05492	3.7
81.03429	1.8
81.07058	9.4
81.77012	0.8
85.02904	6.4
85.06552	1.8
91.05501	3.5
93.07031	6.4
95.04987	1.2
95.08620	4.9
97.02903	1.5
97.06525	1.7
99.04427	1.6
105.07019	2.1
107.04971	4.5
107.08592	13.8
109.02882	3.3
109.06519	5.4
109.10176	7.6
113.35610	1.0
119.08585	3.9
121.06502	1.6
121.10138	14.0
122.07250	0.9
123.11619	1.0
127.03940	2.1
131.04973	1.5
131.08594	3.5
133.10135	100.0
135.08054	12.8
135.11694	1.9
137.06035	1.5
137.09630	64.8
142.05235	1.0
145.02847	1.2
145.05013	0.8
147.11653	1.7
149.05988	1.4
149.13271	14.6
155.11823	1.8
161.05885	1.1
163.03908	19.3
163.11182	1.0
163.14723	0.9
167.07018	4.0
173.13235	7.6
175.07590	1.4
187.06050	1.7
191.14310	54.3
191.54771	0.9
203.17926	1.3
205.07069	1.9
209.15321	11.6
217.08565	1.6
220.09686	1.6
231.17468	1.2
239.20016	1.6
249.18488	1.9
257.08011	1.2
278.11908	1.0
309.11221	1.1
311.08951	1.3
312.09787	1.1
327.15262	5.2
341.13882	1.1
371.11136	2.3
371.15506	4.9
371.20551	10.0
374.59872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	15.4
58.03842	2.5
63.65191	3.4
67.05515	64.6
69.03432	4.0
69.06256	2.7
69.07069	18.8
71.05003	6.1
78.78586	2.7
79.05507	31.3
81.07069	100.0
83.04994	5.1
83.08647	7.5
85.06548	14.3
87.00824	6.1
87.04475	4.9
91.05488	36.1
93.07047	57.5
95.08615	97.4
97.06539	4.9
97.10137	4.5
99.08119	7.8
105.07044	41.6
107.04958	14.8
107.08616	59.4
109.06523	4.6
109.10166	60.4
114.62872	3.2
117.06985	4.5
119.08590	51.2
121.06551	3.5
121.10163	70.4
123.08064	4.9
123.11733	15.3
129.07004	8.0
131.08562	15.8
133.06456	12.1
133.10144	82.3
135.08054	14.4
135.11694	29.2
137.06038	6.1
137.09647	20.9
143.08603	7.9
145.10165	5.9
147.04349	3.3
147.08044	15.4
147.11729	44.6
149.13316	22.9
151.07547	4.2
157.10136	6.9
159.08006	3.5
159.11769	4.9
161.13272	14.8
163.11185	3.3
163.14783	6.3
165.09111	17.5
167.07063	49.2
171.11671	5.7
172.05225	3.3
173.11812	4.7
173.13257	4.8
175.07527	12.6
175.14900	7.3
177.05437	3.3
177.16388	7.7
179.10664	12.8
185.13373	3.4
187.07599	13.9
189.16432	6.1
191.07117	4.3
191.14302	5.3
192.07892	14.3
203.17967	91.2
213.16403	27.0
217.08641	7.4
221.19038	4.2
231.17447	44.5
239.20090	6.0
249.18539	38.8
261.09137	4.9
267.19626	13.0
277.08566	5.0
307.19058	4.4
319.74847	3.6
326.11935	3.7
335.18576	6.2
341.13913	12.7
353.14703	5.3
353.19543	50.2
371.15262	16.8
371.20615	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24323	1.0
53.03925	1.0
57.60312	1.2
58.80569	1.1
69.03429	7.2
71.04984	2.2
79.05495	14.4
81.03444	1.4
81.07066	19.0
83.04990	6.4
83.06100	7.3
84.04511	11.7
90.76961	1.3
91.05470	10.5
93.07065	8.7
97.02917	1.6
97.06535	6.4
99.04471	12.9
101.07160	5.0
105.07054	15.9
107.04944	9.0
107.08617	2.4
109.02895	8.6
109.06535	1.3
111.04482	1.5
117.07022	1.8
119.08578	52.9
121.10145	6.0
123.08061	1.9
125.06000	13.4
127.03922	20.9
129.06596	36.6
130.04997	55.6
130.05945	2.5
133.10132	43.2
135.11696	2.1
137.09604	2.2
143.07109	4.6
143.08559	16.1
145.10133	6.3
146.07242	1.5
147.04416	8.1
147.07727	100.0
161.09604	99.1
163.11179	2.5
165.09099	7.3
167.06952	1.3
171.08075	1.8
174.06798	6.6
179.10690	12.4
189.09114	46.3
207.10165	59.9
225.11227	12.8
294.56213	1.5
294.59494	1.5
371.18152	6.4
371.22662	1.5
386.47168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
55.64523	1.5
58.99225	2.0
59.31964	1.7
62.52637	1.6
66.52735	1.5
66.77231	1.7
67.80534	1.7
79.05509	2.0
81.42571	1.7
91.05509	3.5
103.18874	1.9
105.07019	2.3
107.04963	16.6
114.25736	1.9
119.04962	2.0
124.05183	3.5
129.06984	4.4
131.05019	2.2
133.06502	7.7
137.06003	11.4
147.04414	3.9
147.08057	3.0
153.05470	2.3
159.08041	8.0
160.07622	3.2
161.05972	10.9
163.03911	2.1
167.07040	100.0
170.09685	9.0
171.10167	2.8
172.05171	2.4
175.07579	23.7
177.05458	2.2
179.07036	2.8
187.07567	21.1
187.09225	3.4
191.07019	7.7
199.07590	8.6
217.06635	2.3
217.08664	8.7
221.09663	2.8
231.08217	3.1
232.08736	2.5
233.09674	3.0
233.48956	2.1
235.07527	4.3
247.07462	2.9
249.09001	13.8
252.07709	3.6
261.09177	4.1
264.07797	2.2
265.08633	8.8
266.09491	7.7
277.08649	11.9
278.09467	7.9
280.07236	9.1
281.08093	2.8
281.11716	3.3
293.08417	3.1
293.11725	14.7
295.09656	4.3
296.10498	8.1
306.09076	3.2
307.09464	2.9
309.11298	13.2
310.11673	2.3
311.09366	4.0
311.12872	10.2
321.11151	10.3
326.11526	2.2
339.12311	44.9
341.13840	25.8
353.13922	12.4
370.70996	2.0
371.15024	61.1
371.21936	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	371.149
Annotation	Fragransol D
Peak:m/z	Relative Intensity
51.92342	1.0
53.80875	0.9
56.84537	0.9
59.84694	0.9
64.47900	1.2
69.03423	1.7
70.06578	7.4
71.04986	1.9
72.08152	5.1
79.05491	2.9
84.05608	2.1
84.08141	2.1
91.05464	4.9
94.04159	1.2
95.04971	1.5
104.61794	1.2
105.07005	2.0
107.04962	22.6
114.09169	4.8
117.07006	1.6
117.10373	1.0
119.04937	2.7
122.03596	1.9
123.04446	1.4
124.05217	1.7
125.06023	1.1
129.06990	7.0
131.04808	1.7
131.08592	9.9
137.05984	86.2
141.07025	1.2
144.05707	2.0
145.06543	2.0
147.04419	32.3
147.08020	1.6
149.04204	1.3
151.07521	6.9
151.83511	1.2
153.05487	2.3
156.05695	6.7
157.06360	1.8
159.08064	16.6
160.20715	1.1
161.05942	2.6
163.03952	2.4
163.07532	1.7
167.07034	50.7
169.06396	1.2
170.09650	11.2
171.10393	2.8
172.05278	1.7
173.05960	1.4
174.06763	1.9
175.07545	13.8
177.05458	9.1
179.06973	1.6
181.08580	1.6
183.06590	1.2
187.07518	19.4
189.09084	11.3
191.06996	5.1
193.08574	1.3
196.00845	1.2
197.13962	2.5
202.06250	9.2
202.14610	1.3
203.06943	1.2
203.08601	2.2
204.07698	1.5
205.08575	6.1
205.10245	1.7
208.20309	1.3
210.06769	1.5
213.13472	2.0
215.06898	1.6
215.08704	1.7
217.06535	3.0
217.08591	72.0
218.07240	4.8
219.08098	5.4
219.10175	2.3
221.09622	7.5
231.08003	7.8
232.08969	1.5
233.09612	14.8
234.06671	6.3
235.07477	2.4
239.07002	7.7
241.08572	21.6
243.08182	2.3
246.06831	6.1
247.07500	2.2
247.09642	22.4
248.08223	4.7
249.09126	19.4
250.09904	5.3
251.07217	1.9
251.10303	1.4
255.06618	1.5
259.07513	2.4
260.08334	7.9
261.09073	31.2
262.06314	2.3
262.09879	5.1
263.06995	7.7
263.10635	2.5
264.07971	1.8
265.08609	2.5
266.09314	8.7
269.08044	5.7
271.06085	1.5
275.10736	2.0
276.07916	1.6
277.08624	19.7
278.09308	22.8
279.06439	1.6
279.10187	6.1
280.07288	4.7
281.11703	8.0
283.09665	1.7
285.07596	75.2
285.10803	2.6
286.08331	2.8
289.08572	8.1
290.09439	1.8
291.06494	5.6
291.10135	6.1
292.10944	2.5
293.08188	4.4
293.11731	21.4
294.08893	5.1
295.09839	4.5
298.08292	4.9
300.09937	74.4
301.10687	13.4
306.08859	8.3
307.09644	16.8
309.11240	21.0
310.11954	1.7
311.09122	5.8
311.12695	2.2
313.10757	23.6
321.11145	29.3
322.11963	4.4
323.09131	15.2
325.10538	1.4
326.05078	2.0
326.11475	17.2
338.11371	8.6
339.12338	9.3
341.13840	29.3
343.15433	2.1
353.13821	100.0
371.14905	86.4
371.22720	20.1
371.27936	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	371.1493
Annotation	(+)-Demethoxyaschantin
Peak:m/z	Relative Intensity
55.05531	3.7
67.05505	4.7
79.05482	3.6
81.07059	7.2
81.76074	4.1
95.08601	14.7
107.04952	16.5
109.06580	3.6
129.06992	5.0
131.04897	6.3
131.08580	6.6
137.05991	100.0
145.06450	4.9
149.71346	3.4
156.05716	13.3
159.08052	26.0
159.20837	3.4
163.03893	3.5
167.07008	31.9
175.07541	16.7
177.05417	5.5
187.07608	18.5
189.09123	7.8
191.07050	8.0
202.06316	14.9
203.08618	3.6
204.07813	3.6
215.06842	4.6
215.08669	5.5
217.08588	89.4
219.10101	4.8
221.09653	4.4
224.73174	3.6
233.03819	3.2
233.09676	18.6
234.06749	6.0
241.08510	14.2
246.06723	4.5
247.09676	21.5
249.09079	23.5
261.09109	20.8
263.07117	4.2
266.09396	3.6
269.08115	3.5
277.08734	7.0
278.09460	6.6
279.06586	4.0
281.11771	8.0
289.08505	4.2
293.08408	4.3
293.11682	14.0
301.10712	6.9
306.08850	6.1
307.09512	8.3
309.11227	18.3
311.09085	5.0
320.10461	4.2
321.11243	16.9
326.11533	20.7
338.11298	4.4
339.12381	17.4
341.13846	43.3
353.13834	48.1
371.14941	87.0
371.20374	5.2
373.30353	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	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59958	1.2
57.17264	1.3
65.94669	1.4
71.04986	3.1
72.08154	8.9
79.05494	6.1
81.07062	6.8
91.05475	3.1
93.07012	2.5
95.08620	6.9
98.06058	1.9
103.05449	1.5
105.07010	2.2
107.04947	9.5
107.08569	2.6
107.39091	1.6
109.10189	1.9
121.06509	2.8
121.10150	5.7
123.04418	1.9
129.06953	1.7
131.08647	2.1
133.06450	3.6
133.10083	2.3
137.06001	29.7
143.08598	1.7
143.25113	1.8
147.04381	3.3
147.11624	1.5
149.05934	2.1
151.03969	1.5
151.07469	2.6
153.05333	1.8
156.05754	2.3
157.06549	5.3
159.08031	7.7
161.05957	7.2
163.03902	2.1
163.07480	2.9
167.05620	3.2
167.07042	100.0
169.07501	1.6
175.07538	36.6
177.05487	5.6
187.07593	10.6
189.09077	3.7
191.07036	48.3
192.07872	2.1
193.08626	22.7
202.06165	2.4
203.17981	2.0
205.08588	21.2
209.08090	3.5
214.06044	1.6
217.08575	51.5
218.07454	1.7
223.07562	2.6
225.00673	1.3
233.09590	7.3
234.06740	2.5
239.07025	1.9
241.08578	6.2
247.09622	5.9
249.09245	7.5
250.10199	1.5
251.07106	7.6
251.10606	1.5
260.08435	1.6
261.09116	8.2
262.09561	1.7
263.07059	2.0
265.08737	1.9
266.09232	2.2
277.08600	8.9
278.09375	6.5
279.06543	2.5
281.11661	2.5
285.07590	26.1
289.08719	3.0
293.11783	6.9
300.09851	17.5
301.10617	5.9
306.08838	2.5
307.09625	3.6
309.11288	9.7
313.10745	3.5
321.11270	7.3
323.09039	5.7
326.11487	8.7
327.14148	6.6
338.11615	2.3
339.12488	3.6
341.13882	13.8
353.13751	29.3
371.13147	96.0
371.21201	5.2
385.98541	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	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06235	0.6
53.70525	0.6
63.28856	0.8
65.89854	0.8
67.05506	3.5
69.03427	0.7
70.06578	1.3
72.08154	1.7
79.05514	5.3
81.07077	5.9
87.44070	0.7
91.05502	3.3
93.07060	1.9
95.04971	1.4
95.08623	5.2
96.12652	0.7
105.07032	7.1
107.04958	15.1
107.08599	3.5
109.10173	1.8
114.09174	3.2
115.05469	0.9
117.07088	1.0
119.04885	0.9
119.08581	3.0
121.10131	4.5
123.04432	1.1
124.05213	1.9
125.05984	1.3
129.06992	7.5
131.04944	4.1
131.08601	1.1
132.05688	1.2
133.06485	6.4
133.10127	16.5
135.08089	1.2
135.11710	1.5
137.05983	1.6
137.09634	10.4
140.04669	1.2
144.35999	0.8
147.08058	4.3
147.11696	1.6
149.13277	1.6
152.04730	1.0
153.05489	1.0
156.05630	1.1
159.08055	7.1
160.05217	1.0
160.13219	0.7
161.05959	11.8
161.09587	1.1
165.09190	0.8
167.07040	100.0
171.08067	1.0
172.05196	1.7
175.07555	27.1
177.05478	1.5
187.07549	25.6
189.09081	1.4
191.06993	5.8
191.14351	5.6
192.07829	1.4
197.13942	5.7
199.07578	10.3
203.08560	1.6
203.18011	3.5
209.08116	1.0
215.08653	1.0
217.08548	3.6
218.07169	0.8
219.08159	1.1
221.09570	6.2
231.08128	2.9
231.17476	2.9
232.09019	1.1
233.09665	4.0
234.06769	1.8
246.06740	1.6
247.07622	1.1
249.09167	6.2
249.18471	1.8
250.09886	1.1
260.08456	1.1
261.09055	6.0
263.07147	1.1
263.10083	0.9
274.06161	1.0
275.06848	0.9
277.08676	3.5
278.09497	3.0
281.11740	10.9
285.07568	0.9
285.73944	0.8
289.08636	3.3
293.11707	4.4
294.08932	1.1
306.08716	1.0
307.09628	1.3
309.11285	11.3
310.11969	0.9
321.11212	8.0
321.14459	0.9
325.14395	1.5
326.11465	4.4
341.13837	29.5
353.13873	9.3
353.19543	1.0
361.73572	0.9
362.23514	1.5
371.15118	8.5
371.21021	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	371.149
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
50.54020	2.5
55.23340	2.6
74.98328	2.5
75.95971	3.0
88.88457	2.9
91.05471	3.0
92.18449	4.2
101.59270	3.2
105.91655	2.8
107.04937	19.0
107.37138	3.3
108.73256	2.6
109.10181	5.8
116.20637	3.3
119.04912	5.1
121.06473	3.9
129.07074	3.9
131.04921	13.4
131.08568	3.7
137.05988	55.6
141.07030	3.5
147.04408	11.0
153.18530	3.0
158.88690	3.5
159.08044	11.8
161.05988	4.8
163.03905	4.0
167.07024	45.6
174.06683	5.5
175.07521	12.3
187.07523	24.9
189.09314	3.6
191.07024	17.8
203.08636	3.2
205.08521	3.5
217.08586	58.7
219.08131	4.1
221.09622	13.3
231.08127	4.8
233.09686	11.9
235.07561	4.6
241.08627	6.0
247.09718	17.5
249.09114	19.4
251.10753	4.4
252.62508	3.6
261.08945	23.3
263.07019	7.7
266.09293	6.9
277.08600	16.5
278.09256	11.7
279.09998	6.8
281.11667	5.4
285.07535	43.6
289.08481	4.8
292.10815	3.7
293.11752	6.7
295.09830	3.6
300.09903	39.1
301.10568	4.8
306.08945	4.0
307.09854	27.9
309.11090	16.1
311.09143	6.5
311.12753	5.2
313.10620	6.7
320.77841	3.0
321.11316	28.1
323.09167	5.1
326.11530	12.2
327.12302	3.3
338.11890	4.6
339.12173	48.8
341.13681	27.7
353.13846	58.4
371.14972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Fragransol D
Peak:m/z	Relative Intensity
55.17518	0.9
60.15373	0.7
69.03414	1.0
70.06587	1.2
72.08146	3.3
76.53162	0.8
79.05495	4.2
82.32375	1.1
84.04522	0.9
84.08155	4.7
85.02900	1.2
88.53062	0.8
91.05486	1.2
105.04605	0.9
107.04957	19.3
109.06477	1.1
114.09172	6.3
117.07086	1.1
119.04975	1.2
122.03701	1.7
123.04400	1.2
124.05215	2.0
125.06017	1.7
129.07007	5.1
130.08665	1.0
130.20210	0.9
131.08594	3.9
137.05988	49.7
141.20361	0.9
143.41747	0.9
144.05737	2.1
145.06474	1.4
146.24162	1.3
147.04404	8.6
147.08041	1.0
147.99519	0.9
151.03862	1.2
156.05716	1.8
157.06528	2.1
159.08054	9.2
163.03900	1.1
165.05437	1.0
167.07040	34.9
169.07794	1.1
173.06001	1.4
174.06787	4.4
175.07523	7.8
177.05507	5.4
179.07137	1.1
181.05045	1.0
184.05215	1.0
187.07536	13.9
188.08351	1.8
188.79210	0.8
189.09125	8.3
191.07022	1.2
193.08727	1.1
195.06541	2.1
197.14005	9.5
199.07579	1.6
201.09131	1.3
202.06267	5.5
203.08592	2.1
205.08624	5.6
206.07242	1.0
207.06502	1.2
209.04485	3.7
210.06752	1.6
211.07603	1.4
215.08626	1.9
217.08575	29.8
217.10545	1.3
218.07370	4.2
219.08090	2.2
219.10135	1.7
221.09622	6.2
223.73676	1.0
231.08134	5.2
232.08884	1.9
233.06067	1.1
233.09590	12.6
234.06793	3.9
235.07588	3.5
238.09996	1.2
239.07100	6.1
241.08578	16.1
243.08128	1.8
246.06865	3.8
247.07494	2.0
247.09622	8.0
248.08360	5.6
249.09119	12.4
250.09868	4.5
251.06963	1.1
252.07751	6.5
257.08173	2.1
259.07465	1.1
260.08356	3.4
261.09085	24.4
261.11554	1.2
262.06482	2.1
262.09915	3.9
263.07040	6.5
263.10724	4.5
264.07962	1.1
265.08624	1.9
266.09320	7.5
269.08154	5.8
270.08850	1.3
271.06061	1.4
276.07895	1.8
277.08545	12.8
278.09390	25.5
278.12183	1.3
279.06876	1.2
279.10245	4.3
280.07220	7.2
281.11627	8.7
285.07571	82.1
286.08347	1.6
289.08438	8.9
291.06665	1.6
291.10214	5.1
292.10995	1.4
293.08200	3.4
293.11816	13.2
294.08868	3.6
295.09702	6.1
298.08429	4.8
300.09921	63.4
301.10745	11.7
303.10254	1.3
306.08914	15.6
307.09668	14.7
308.06979	1.2
309.11209	13.7
310.12085	1.2
311.09210	2.2
313.10666	26.2
321.11227	27.2
322.12149	4.8
323.09113	18.6
323.12564	1.4
326.11478	10.6
338.11621	5.8
339.12186	7.3
341.13846	19.8
343.15390	1.6
353.13846	100.0
353.21872	6.2
371.15005	65.1
371.22678	35.9
378.42810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
57.87689	1.6
67.05501	1.9
81.07066	3.6
81.22632	1.9
83.34013	1.6
88.41209	2.0
95.08600	7.3
105.06988	1.9
107.04953	19.5
109.10177	2.8
129.06958	2.2
131.04921	10.0
137.05992	3.5
143.37851	2.0
147.04395	7.2
156.05650	4.1
157.06487	3.8
167.07042	83.7
179.07004	12.9
184.05219	6.9
185.06007	3.9
191.07013	11.7
191.08578	2.1
202.06244	10.4
213.46513	2.0
217.08601	56.4
218.07286	3.2
219.07988	2.9
233.09564	9.2
235.07556	2.5
236.08112	2.0
247.07379	2.9
249.08969	3.3
251.10564	2.7
259.08459	1.7
261.09152	7.7
263.06912	2.6
264.07773	4.3
265.08624	2.5
277.08636	3.8
279.10144	11.9
289.08755	2.1
295.09491	3.6
307.09619	17.6
308.10406	2.4
310.12048	2.9
311.12738	2.1
325.10605	3.1
339.08682	1.7
339.12329	33.8
353.13882	4.0
371.10434	4.0
371.14883	100.0
371.19464	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	371.1495
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
51.26123	8.9
61.02829	9.1
72.08119	11.6
96.98433	11.6
107.04976	14.0
109.10159	10.7
112.18386	12.6
113.42684	10.8
119.08624	10.9
119.21951	9.5
121.10062	11.2
137.05988	100.0
144.08093	21.6
155.90596	11.3
159.08029	19.0
167.07037	42.7
170.09613	69.0
171.10132	16.7
187.07500	19.7
189.90939	11.0
217.08638	86.2
233.09595	11.0
241.08632	13.0
242.96863	10.9
245.22400	10.2
247.09752	14.5
249.09180	23.8
261.09225	18.8
285.07645	85.9
288.85947	11.8
300.09869	73.0
309.07440	13.2
309.11292	19.6
321.11264	25.2
326.11288	22.2
339.12213	18.7
341.13800	23.7
353.13681	83.5
370.70831	16.8
371.11060	14.7
371.14996	79.5
371.20624	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80758	1.0
66.31572	1.2
70.06593	4.5
72.08144	2.4
74.17456	1.2
74.79600	1.2
79.05495	5.4
81.07069	9.4
84.05637	2.0
84.08159	1.5
85.06548	2.6
85.07671	1.5
91.05465	2.8
93.07036	1.8
95.04975	2.3
95.08603	9.4
97.06584	1.6
105.07049	7.3
107.04961	16.1
109.06516	1.5
109.10173	5.3
114.09180	6.1
119.08615	6.1
121.10156	2.4
123.04431	1.5
124.05183	1.9
124.08743	1.8
129.06973	8.6
131.04958	2.8
131.08546	2.5
133.06502	7.0
133.10139	2.6
135.08104	1.7
135.11696	1.5
137.05992	5.9
147.08101	5.0
149.05995	1.6
153.05505	2.2
155.06938	1.9
159.08060	4.4
161.05978	14.2
162.66992	1.3
163.97809	1.3
167.07045	100.0
170.09712	1.6
172.05185	1.6
175.07553	23.0
177.05420	1.3
177.82747	1.2
187.07564	22.6
189.09196	1.4
191.07057	4.9
199.07584	6.9
203.08580	1.3
206.07344	1.5
209.15408	1.7
217.06651	1.3
217.08617	8.1
221.09615	6.1
231.08195	1.7
233.09637	2.2
234.06873	2.3
242.49646	1.2
246.06853	1.9
248.08504	2.3
249.09146	6.2
261.09143	7.7
262.19183	2.3
263.07156	1.6
265.08539	1.4
277.08624	5.0
278.09354	2.5
280.20154	9.3
281.11819	10.7
289.08572	4.9
293.11722	1.6
299.69897	1.2
306.08847	2.3
307.09506	1.7
309.11295	12.1
321.11249	7.3
325.14365	1.9
326.11511	2.3
339.23978	2.7
341.13852	23.9
353.13660	11.0
371.15256	6.3
371.22391	10.3
371.26477	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	371.1492
Annotation	(2S)-5,7,4'-Trihydroxy-3'-methoxy-6-(1,1-dimethylallyl)flavanone
Peak:m/z	Relative Intensity
53.73754	0.7
55.42593	0.7
60.53430	0.6
65.14890	0.6
72.08157	1.1
80.46500	0.7
87.62585	0.6
105.07014	3.5
107.04964	1.7
107.50215	0.7
115.05501	1.1
121.06490	3.9
123.04420	1.7
126.55248	0.8
133.06485	4.5
135.08041	1.6
137.05922	1.7
145.41347	0.7
149.05942	1.3
161.05952	6.5
163.07526	5.4
167.07040	100.0
175.07553	33.9
177.05550	0.8
181.08566	0.7
190.05913	1.0
190.41908	0.8
191.07047	52.8
193.06857	1.0
193.08620	27.3
202.06285	3.2
203.06976	0.9
205.08623	22.1
209.08142	5.9
217.05266	0.8
217.08609	25.7
217.10588	1.3
236.08409	0.9
249.09071	1.7
261.09164	1.2
263.06754	0.8
264.08002	1.3
265.08612	5.8
266.09451	3.3
277.08508	1.1
280.07379	3.4
285.07645	0.8
293.11642	4.3
296.10516	3.6
307.09753	0.8
310.12015	0.9
311.12817	4.5
321.11313	3.1
339.12210	16.6
341.13730	0.8
353.13821	4.6
371.14929	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	LETESTUIANIN B
Peak:m/z	Relative Intensity
54.97169	4.1
57.78016	3.3
58.73775	3.4
59.78080	3.5
62.00166	3.9
92.17831	3.8
93.91329	4.9
107.04945	17.1
131.08589	6.7
137.05986	90.0
147.04417	6.9
149.06056	4.1
156.05757	4.9
159.08054	20.1
167.07016	41.2
169.06464	5.3
175.07542	15.8
177.05510	6.2
179.07060	4.2
185.25624	4.3
186.09163	4.6
187.07579	20.4
189.09099	5.0
202.06285	5.0
217.08604	100.0
221.09572	5.8
226.96880	4.1
231.08148	8.4
233.09714	8.4
241.08630	8.5
247.09708	24.5
249.09142	18.5
261.09210	20.4
263.07065	5.2
263.10834	4.5
277.08640	15.7
278.09467	5.8
285.07504	9.9
293.11722	15.5
300.09979	9.2
301.10648	6.5
306.08710	6.5
307.09604	4.4
309.11301	19.0
321.11252	23.9
324.13449	5.1
326.11496	7.3
338.11444	6.4
341.13864	23.5
353.13803	55.3
371.10901	3.9
371.14911	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	(+)-Demethoxyaschantin
Peak:m/z	Relative Intensity
54.21532	0.5
68.51457	0.8
75.40567	0.6
92.17912	0.8
97.50912	0.8
100.38059	0.8
201.99225	0.7
207.08072	1.5
222.06816	0.9
224.08311	1.8
232.08871	1.3
233.09651	1.4
234.10300	1.4
235.07584	3.1
236.08386	3.2
237.09117	3.0
238.09831	0.8
248.64494	0.9
249.09099	16.8
250.06161	1.5
250.09946	6.0
251.07072	1.1
252.07776	7.0
253.08708	0.8
260.08322	1.6
261.09225	1.2
263.07095	3.8
264.07867	7.2
265.05392	1.1
265.08572	21.5
265.11707	1.4
266.09406	15.9
267.10175	0.9
275.10663	0.9
276.23251	0.8
277.08676	7.2
278.09387	3.9
280.07321	14.0
280.10745	2.7
281.07935	1.7
285.07425	0.9
293.08179	3.7
293.11649	20.3
295.09595	6.0
296.10403	17.9
307.09549	0.8
309.11240	4.7
310.11960	1.5
311.12796	17.0
312.09787	1.4
313.10645	1.0
321.11194	10.3
324.09988	3.4
339.12280	86.2
340.13004	4.6
371.14890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	beta-Methylcubebin
Peak:m/z	Relative Intensity
55.01875	0.8
63.12954	0.7
69.09088	0.8
75.17711	0.9
76.76265	0.9
79.05486	4.3
81.07055	0.9
82.58482	0.8
91.05473	1.7
95.04942	1.0
103.05469	0.9
105.07026	5.4
107.04952	16.0
115.05415	0.9
119.08549	1.5
123.04443	1.1
124.05177	1.6
129.07014	6.8
131.04951	3.3
133.06497	4.8
133.15047	0.8
137.05960	1.6
145.20760	0.9
147.04428	1.0
147.08066	5.2
153.05489	3.8
159.08049	7.1
161.05989	11.8
167.07037	100.0
171.08023	1.5
172.05177	1.9
173.05991	0.9
175.07538	25.6
177.05408	1.1
184.05135	1.1
187.07529	22.7
189.09047	1.2
191.07024	8.7
192.07814	1.0
199.07533	10.3
203.08615	1.3
209.08128	1.1
212.00108	0.8
215.08582	1.4
217.08540	3.0
218.07256	1.8
219.08061	1.0
221.09619	3.9
223.61989	1.1
231.08076	0.9
233.09644	2.1
234.06813	2.0
235.07597	1.2
237.09062	1.0
246.06781	1.2
247.07542	1.7
248.08147	1.1
249.09023	6.1
250.09792	1.4
259.07568	0.9
260.08411	1.4
261.09167	4.3
265.08600	1.1
266.09119	1.4
277.08554	3.7
278.09360	4.5
281.11749	8.2
289.08597	2.0
293.11734	2.9
295.09750	1.8
306.08954	1.2
307.09698	2.1
309.11163	10.6
311.09235	2.1
321.11169	6.8
326.11426	1.8
339.08270	1.0
341.13834	30.4
353.10223	1.2
353.13797	9.3
371.10898	1.2
371.15054	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	371.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37968	0.6
55.05525	1.0
58.06593	1.3
58.22841	0.7
60.12357	0.7
67.05486	4.0
70.06599	34.5
72.08169	8.1
84.04475	1.9
84.08150	2.1
86.09696	1.8
95.04929	1.8
96.74072	0.8
108.04475	1.5
110.07166	1.6
112.07592	1.8
114.10270	1.3
123.04396	3.2
129.84355	0.8
130.08647	100.0
135.04308	0.9
136.03934	2.6
137.05981	1.2
138.05511	45.9
142.03180	1.1
147.04413	4.1
152.01656	1.2
153.00018	1.2
163.03911	8.9
170.02711	79.5
190.25165	0.9
211.07095	0.9
219.06978	0.8
220.09566	1.8
233.03870	1.0
242.04793	5.1
242.56821	0.8
285.07745	0.8
353.13910	1.2
362.14987	1.0
371.12589	51.5
371.16370	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27813	0.4
58.61485	0.5
59.57577	0.4
64.89689	0.4
67.05471	2.3
67.20461	0.5
67.51911	0.4
70.06597	31.0
71.05527	0.5
72.08128	2.5
75.82230	0.5
84.08121	1.2
92.18446	0.5
94.04156	0.5
95.04940	2.4
95.06065	0.7
97.82651	0.6
107.04920	1.0
107.69589	0.5
123.04436	0.9
127.02023	0.6
130.08644	100.0
131.08606	0.7
137.05983	7.4
138.05511	43.6
142.03214	0.9
147.04451	6.0
152.01619	1.0
152.99994	0.9
163.03862	3.2
167.07072	4.0
170.02707	71.0
175.07498	0.7
187.07532	0.8
189.08894	0.7
202.06221	0.9
217.08560	5.0
221.09749	0.6
229.15498	1.0
233.09549	0.7
239.07021	0.5
241.08549	0.7
242.04733	5.0
247.09521	2.8
249.09044	0.7
260.25146	0.5
261.09024	0.8
263.06955	0.6
264.07819	0.6
276.03122	0.6
277.08151	0.6
278.09244	0.9
285.07596	6.3
300.10016	4.6
301.10495	0.7
306.08679	0.7
307.09464	2.3
313.10495	1.1
316.96185	0.6
321.11194	0.7
326.11411	1.1
341.13864	0.9
353.13928	6.2
371.12585	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1126
Annotation	Chaetoxanthone A
Peak:m/z	Relative Intensity
51.02408	1.6
51.39933	1.7
53.42900	1.8
90.93713	1.8
104.28880	2.1
107.04907	4.6
114.09109	4.4
117.61053	2.0
117.73250	2.1
131.04898	2.3
137.05937	14.6
138.15712	2.5
145.06453	2.8
147.04424	4.4
149.06007	2.3
163.03853	2.4
167.07025	19.9
173.05937	3.0
181.08542	2.2
191.06966	8.8
193.08527	2.9
205.06558	2.8
206.07175	3.2
207.07988	2.3
217.08452	4.6
219.08003	11.5
232.55139	2.3
233.06104	2.7
233.09508	2.6
234.06761	18.9
235.07623	14.1
236.08224	2.5
237.08932	2.6
247.07489	12.1
249.06699	2.9
249.09084	65.0
251.06937	3.3
252.07832	8.6
261.05829	2.3
261.09039	4.8
262.06281	8.7
263.07040	32.7
264.07712	13.2
265.08459	11.4
266.09290	3.3
275.06903	2.9
277.08566	46.1
278.05594	9.7
279.06427	3.0
279.10083	8.6
292.07080	9.6
293.07983	33.6
293.11420	4.9
294.08783	3.9
295.09616	8.7
297.11176	2.6
303.06403	2.9
306.05096	2.4
307.09561	18.5
308.10318	2.6
309.11008	8.6
321.07425	19.0
321.11008	5.0
323.09055	7.9
325.10532	12.2
339.12085	11.3
341.10233	16.4
341.13577	2.3
353.10153	85.3
353.13943	4.7
371.11069	100.0
371.14951	14.9
383.96979	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	371.1126
Annotation	4-Hydroxysesamin
Peak:m/z	Relative Intensity
54.19967	1.8
55.01880	14.7
65.03949	3.0
70.79476	1.6
91.08668	2.0
105.27224	1.9
107.04958	2.8
111.04443	3.7
115.05487	2.0
133.06505	8.7
137.05983	8.0
139.03906	9.3
145.06361	2.7
161.05959	8.9
167.07024	4.3
170.09627	3.5
171.10042	2.4
173.05972	7.7
174.06757	2.2
189.05502	8.3
201.05473	3.3
202.06299	3.3
203.54912	2.3
204.15312	2.5
215.07042	3.1
217.08533	4.3
221.06024	3.9
222.06857	2.5
224.08423	3.2
225.09044	3.4
235.07571	4.5
237.05623	2.7
237.09126	3.6
238.06242	3.8
249.05585	3.0
249.08780	2.1
251.07063	3.7
252.07878	7.5
253.08632	16.6
255.06563	3.3
261.08936	2.1
263.07037	17.0
264.07910	2.5
265.08594	8.5
267.06598	3.9
267.10126	4.2
277.08670	3.1
279.06454	3.8
280.07278	15.8
281.08109	12.5
283.06039	2.4
291.06473	2.5
292.07327	3.0
293.08047	16.8
293.11203	3.3
295.09772	7.0
297.07535	3.0
298.08429	2.7
307.09418	2.3
308.06796	3.5
309.07645	16.1
309.10849	2.3
310.08453	3.1
313.10568	5.0
322.08453	11.5
323.09134	43.0
325.10574	3.2
339.12180	4.5
340.09039	2.7
341.10202	100.0
341.13525	4.3
353.10129	12.0
353.14038	3.3
371.11160	9.4
371.15292	22.5
371.19370	2.3
371.20804	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	371.1123
Annotation	(+)-DCA-CL
Peak:m/z	Relative Intensity
54.10980	1.6
55.01887	16.0
56.92743	1.8
59.49550	2.0
63.04548	1.8
65.03960	3.0
66.40136	1.8
73.36189	2.2
85.18906	2.2
91.28938	2.3
93.03371	2.1
107.04958	3.1
111.04436	12.4
133.06476	10.5
137.05984	8.4
139.03902	12.2
145.06511	3.5
147.04427	2.7
159.08069	3.3
161.05946	10.9
167.03416	2.4
167.07031	15.2
167.43091	2.1
168.49023	2.0
170.09669	16.4
171.10088	3.8
173.05988	4.1
174.06715	5.4
175.07538	4.1
177.29965	2.4
181.06439	3.0
187.07631	2.5
189.05467	10.6
194.07167	2.4
201.05461	13.4
210.06685	2.9
211.07515	3.2
215.07101	3.7
217.08644	5.2
219.07980	3.0
221.05933	3.9
224.08371	2.7
225.09157	4.7
234.76677	2.4
235.07536	4.8
239.06847	3.1
241.08498	2.6
251.06998	2.9
252.07813	5.2
253.08553	20.1
255.06538	4.2
263.06961	14.1
264.07730	3.7
265.08676	11.3
267.06427	2.6
270.08871	3.1
277.08572	3.5
279.06577	8.7
280.07248	14.9
281.08163	14.6
283.05988	4.7
283.09555	3.4
292.07419	2.7
293.08102	17.9
295.09573	14.0
297.07559	2.7
298.08475	3.8
300.10010	3.9
307.09473	2.5
308.06650	3.6
309.07635	15.0
311.09113	3.5
313.10736	4.5
322.08353	4.7
323.09113	37.3
325.10538	4.3
339.08499	4.4
339.12250	4.7
341.10196	100.0
341.13748	4.8
345.44897	2.4
353.10040	18.5
353.14035	4.0
370.71280	3.0
371.11105	10.5
371.15182	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02408	1.6
51.39933	1.7
53.42900	1.8
90.93713	1.8
104.28880	2.1
107.04907	4.6
114.09109	4.4
117.61053	2.0
117.73250	2.1
131.04898	2.3
137.05937	14.6
138.15712	2.5
145.06453	2.8
147.04424	4.4
149.06007	2.3
163.03853	2.4
167.07025	19.9
173.05937	3.0
181.08542	2.2
191.06966	8.8
193.08527	2.9
205.06558	2.8
206.07175	3.2
207.07988	2.3
217.08452	4.6
219.08003	11.5
232.55139	2.3
233.06104	2.7
233.09508	2.6
234.06761	18.9
235.07623	14.1
236.08224	2.5
237.08932	2.6
247.07489	12.1
249.06699	2.9
249.09084	65.0
251.06937	3.3
252.07832	8.6
261.05829	2.3
261.09039	4.8
262.06281	8.7
263.07040	32.7
264.07712	13.2
265.08459	11.4
266.09290	3.3
275.06903	2.9
277.08566	46.1
278.05594	9.7
279.06427	3.0
279.10083	8.6
292.07080	9.6
293.07983	33.6
293.11420	4.9
294.08783	3.9
295.09616	8.7
297.11176	2.6
303.06403	2.9
306.05096	2.4
307.09561	18.5
308.10318	2.6
309.11008	8.6
321.07425	19.0
321.11008	5.0
323.09055	7.9
325.10532	12.2
339.12085	11.3
341.10233	16.4
341.13577	2.3
353.10153	85.3
353.13943	4.7
371.11069	100.0
371.14951	14.9
383.96979	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	371.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57802	1.7
51.41191	1.8
61.99395	2.2
70.61936	1.9
73.04763	72.1
84.80071	2.2
91.05798	100.0
98.34343	2.2
99.40026	2.1
104.67966	2.1
108.06565	1.9
112.58521	2.4
114.07430	7.4
250.63286	2.2
266.99991	5.0
268.97891	18.0
285.00986	67.9
299.06177	12.1
303.02002	2.8
355.06979	93.4
355.11377	3.0
371.10059	11.8
373.07947	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	370.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95265	1.2
55.31280	1.1
66.83032	1.3
69.07091	1.9
70.06598	13.4
83.08617	2.1
88.07636	51.0
95.08590	1.9
98.68806	1.2
106.08674	100.0
123.11720	1.4
234.34511	1.3
246.13602	1.2
309.27942	8.0
323.31271	1.4
350.29208	1.4
370.33170	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	370.2495
Annotation	Pendolmycin
Peak:m/z	Relative Intensity
56.18731	0.2
58.06601	1.3
63.00688	0.3
68.30303	0.3
92.18388	0.4
97.06524	2.5
110.92653	0.3
135.92760	0.3
144.08101	25.1
145.08850	0.6
158.09663	0.5
159.10484	0.4
170.09651	100.0
171.10429	33.9
193.04942	0.4
201.13893	4.5
202.14656	38.7
262.32181	0.3
269.20355	0.5
271.03909	0.3
287.21265	0.4
289.10715	2.3
335.11313	1.5
370.24905	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61636	0.4
63.14574	0.4
69.07078	0.7
76.27879	0.4
79.05494	2.8
81.07039	2.6
81.09983	0.4
85.19177	0.4
97.06521	4.2
123.04424	1.1
128.75331	0.5
131.04919	1.0
147.04407	1.0
148.49150	0.4
159.04414	1.0
173.05933	0.5
175.03914	2.2
177.05457	1.9
189.05486	2.1
191.03391	2.0
193.04901	0.6
198.26987	0.4
199.11101	0.4
201.09114	11.2
202.09904	9.8
203.06992	0.9
203.10699	2.1
209.09732	0.5
219.02870	1.0
221.04428	0.6
225.09183	0.6
226.06155	0.5
229.08679	0.6
231.06587	0.6
231.10158	6.2
245.11717	20.2
255.10143	4.4
267.05017	2.0
271.09610	4.7
273.11258	2.0
275.09131	16.0
281.08008	0.5
289.10748	6.0
293.06686	1.0
299.09149	4.3
317.10175	7.8
335.11255	100.0
345.90607	0.5
370.15128	3.4
370.20590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2643
Annotation	Betaenone B
Peak:m/z	Relative Intensity
50.65965	3.9
50.70682	4.5
53.92622	4.0
67.05503	24.6
71.08624	30.9
79.05491	11.8
81.07077	43.7
85.73880	5.3
91.05486	10.7
93.07047	32.0
95.08622	24.0
99.08107	25.4
105.07044	5.9
107.08585	21.3
109.10204	9.1
119.08588	9.1
121.10150	12.0
133.10133	9.5
135.11707	25.4
151.11243	22.0
168.97583	5.1
179.14323	71.4
232.96339	7.5
277.21698	46.9
351.25360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.264
Annotation	Betaenone B
Peak:m/z	Relative Intensity
52.12801	3.6
55.05528	5.6
67.05507	20.6
69.07073	18.7
70.48693	4.1
79.05492	21.5
81.03427	19.9
81.07058	24.0
83.05002	5.1
89.58012	4.1
93.07049	19.5
95.04974	18.0
95.08587	4.9
105.07004	7.5
107.08607	23.1
109.06538	5.7
119.08578	5.3
121.10148	8.3
133.10114	8.0
138.16953	4.0
147.11732	5.8
148.80925	4.7
149.02560	4.7
151.11194	19.0
154.29060	5.0
161.13251	7.2
163.14839	4.7
206.34789	4.5
212.98627	4.5
247.58939	4.2
277.21588	55.7
334.02686	4.7
351.25320	100.0
369.26202	6.6
369.42664	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	369.2639
Annotation	Betaenone B
Peak:m/z	Relative Intensity
55.01878	6.6
55.05526	31.9
57.03434	19.8
57.07067	4.0
67.05511	56.0
68.43095	2.9
69.07073	19.8
69.33894	3.1
70.07031	3.5
71.04998	4.0
71.08634	41.2
72.70766	3.0
74.15704	2.8
75.45210	3.0
79.05505	32.9
80.48943	3.1
81.03438	4.1
81.07073	54.9
83.05001	7.6
83.08630	20.5
87.56728	3.0
91.05510	23.5
93.07037	38.4
94.23422	2.8
95.04963	15.3
95.08621	40.9
97.06535	14.1
97.10162	13.0
99.08089	23.9
105.07029	21.3
107.08604	33.8
109.10175	39.2
111.08080	5.9
113.09656	3.2
117.07008	4.8
119.08569	14.4
119.30636	2.8
121.10155	24.7
123.08072	3.9
123.11707	5.9
125.09657	6.5
131.08607	6.7
133.06339	3.8
133.10133	19.0
135.11707	18.9
137.09630	4.8
138.02267	3.3
144.08101	7.0
145.10147	6.6
147.11690	14.0
149.13261	16.1
151.11151	23.4
157.10213	5.0
159.11717	4.5
161.13269	14.3
165.12764	7.0
170.09692	5.5
171.10265	6.3
173.11766	14.3
175.14818	5.1
179.14331	4.1
189.11269	7.3
195.13905	5.9
227.12776	13.1
229.14459	4.2
231.20935	3.9
232.96487	4.3
250.97769	3.8
259.20651	4.5
269.17554	17.5
277.21637	67.1
295.22736	7.6
308.76718	3.3
351.25323	61.0
369.13702	5.0
369.26361	100.0
369.42746	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	369.2638
Annotation	Betaenone B
Peak:m/z	Relative Intensity
52.38414	1.1
55.01874	3.0
55.05523	21.5
57.03448	11.6
57.07083	1.5
58.04852	1.0
67.05513	30.5
69.06751	1.4
69.07079	23.8
70.38814	1.0
71.08646	17.9
71.49006	1.1
76.19003	1.2
79.05500	15.3
81.07069	31.5
83.04976	5.1
83.08639	17.9
85.06547	2.1
91.05484	14.3
93.07054	20.5
95.04950	5.1
95.08614	21.0
97.06522	6.5
97.10190	10.5
99.08084	7.1
103.06829	1.4
105.07047	13.0
107.08604	16.2
109.06519	1.6
109.10163	28.5
111.08060	2.9
117.06998	1.8
119.08591	12.5
121.10153	11.0
123.08125	2.4
123.11717	6.0
125.09634	6.5
125.83565	1.3
127.11214	1.7
131.08524	2.4
133.10136	6.6
135.11681	7.3
137.09605	4.7
138.98970	1.4
139.11172	5.9
145.10155	4.5
147.11723	10.2
149.09695	1.4
149.13254	6.6
151.11172	9.7
155.10652	2.7
161.13239	2.1
163.11162	2.5
163.14755	1.5
165.12753	2.9
171.11552	1.6
173.11757	6.8
175.11195	1.5
175.14890	2.0
177.12663	1.6
179.14233	2.2
189.11165	1.6
209.67529	1.3
229.14395	2.1
253.17946	1.5
259.20551	2.5
269.17563	2.1
277.21658	30.1
295.22745	11.6
351.25354	19.3
369.13565	1.8
369.26379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.2
55.19540	2.4
57.03443	5.1
57.07084	6.7
67.05522	28.4
69.07067	17.5
71.05000	3.5
71.08641	7.0
74.69279	2.8
79.05518	21.1
81.07064	32.9
83.04987	4.6
83.08614	13.3
85.10189	21.7
88.77097	2.6
91.05476	14.6
93.07046	19.5
95.04962	12.0
95.08629	20.6
97.10180	15.4
99.08106	6.8
105.07019	16.1
107.08607	24.6
109.06542	4.3
109.10162	31.8
113.09625	16.2
119.08563	6.8
121.10105	5.1
123.11741	3.2
129.07024	4.0
131.08633	3.1
133.10147	18.1
137.09610	3.0
147.11682	6.8
151.11182	15.1
165.12775	33.1
259.20551	4.2
262.93747	3.5
277.21579	58.1
295.22684	79.1
351.25378	32.0
369.26367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64896	0.9
52.45002	0.7
52.67183	0.7
59.84065	0.9
67.05483	1.2
83.08667	1.1
86.29704	0.9
244.23608	1.0
324.32626	3.5
333.38998	1.1
338.86365	1.1
369.26154	100.0
369.38586	1.6
369.43069	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	369.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21323	0.7
69.07058	0.9
83.66813	0.9
92.17930	1.2
104.04854	0.9
110.00902	1.0
110.50436	0.8
114.09152	0.9
119.23971	0.8
128.14417	0.9
142.85725	0.9
144.01309	0.9
150.20987	0.9
186.61707	1.0
214.95422	1.0
232.96524	1.2
236.25197	1.0
369.26114	100.0
369.42957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.7
61.74186	0.4
73.37064	0.4
75.73127	0.4
83.88998	0.5
117.61223	0.5
123.03321	0.4
144.08092	26.3
145.08868	0.8
158.09604	1.1
170.09645	100.0
171.10426	29.5
201.13878	3.6
202.14656	27.4
232.96449	1.0
337.10635	0.6
369.13531	2.5
369.25369	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58459	0.7
66.06036	0.7
70.06581	1.4
72.04510	3.9
72.08158	6.4
74.53641	0.7
79.05512	2.6
79.80772	0.7
81.07072	0.7
84.05644	14.8
92.18549	0.9
93.07041	4.6
98.07172	3.3
99.07963	3.7
107.04906	0.8
112.08740	1.4
113.09547	1.8
113.10769	1.8
114.09173	48.7
114.28588	0.7
119.08574	4.3
121.10174	1.4
123.04436	4.7
126.10265	3.3
131.11786	3.5
131.83591	0.7
138.10272	2.9
147.08032	1.8
156.11314	3.8
157.75873	0.7
164.28436	0.9
165.09186	1.1
167.07062	1.4
173.13974	3.1
178.13358	1.0
181.54166	0.8
189.05513	1.1
197.13991	86.7
218.15436	3.5
223.15573	1.0
235.18002	0.9
238.15515	3.9
279.59381	0.7
291.21771	4.1
337.22379	22.6
351.12234	1.1
351.20340	2.9
351.23938	70.3
369.21213	5.0
369.25003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.4
61.08546	4.7
63.48108	4.7
67.05492	6.9
69.07085	5.1
81.07061	6.5
98.08007	4.9
111.04455	10.2
121.06443	4.8
137.05986	100.0
147.11717	6.4
148.99561	4.6
163.03873	8.5
172.94400	8.3
174.98964	5.5
175.11253	5.9
184.09746	6.7
187.07629	5.5
208.48163	5.8
212.38841	4.9
227.91444	5.2
261.09039	6.0
276.07874	5.8
277.18021	48.8
291.10526	5.5
322.95993	5.2
337.10629	20.0
351.21609	20.7
361.19608	5.4
369.13528	48.1
369.22458	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2276
Annotation	Picronolide
Peak:m/z	Relative Intensity
50.63358	0.9
53.23911	1.0
55.01874	2.1
55.05512	1.4
55.44545	1.0
57.03437	2.1
62.01070	1.1
65.99540	0.9
67.05510	4.5
69.07070	2.8
71.08624	2.4
79.05499	4.9
81.07053	11.0
81.48620	1.1
83.04993	1.4
83.08630	7.2
91.05484	2.0
93.07043	7.4
94.26176	1.0
95.04959	1.2
95.08619	8.7
95.31751	1.2
97.06533	1.5
99.08050	1.1
105.07045	2.2
107.08620	4.7
109.06535	4.5
109.10161	4.6
111.04445	17.4
111.08041	1.3
119.08609	2.2
121.10152	5.3
125.05979	5.7
133.10144	4.7
135.08072	2.4
135.11687	4.7
137.05988	100.0
143.08565	1.6
147.11670	5.9
149.13234	1.7
151.07545	1.8
153.40625	1.2
157.10112	2.1
161.09648	5.8
161.13210	2.2
165.09129	2.4
165.12801	1.4
175.11247	5.6
181.26537	1.1
191.87729	1.2
203.18039	4.8
213.16425	1.8
231.17474	6.9
232.96489	2.5
249.18565	2.8
263.60739	1.0
277.18033	43.5
277.21506	6.3
291.10214	1.7
294.09015	1.2
295.19080	6.5
295.22250	1.6
309.11322	1.7
337.10681	9.2
351.21658	34.3
351.25473	7.1
369.13501	11.2
369.22333	10.5
369.26437	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	369.2135
Annotation	Pro-Val-Gly-Pro
Peak:m/z	Relative Intensity
60.04512	0.2
69.74585	0.2
72.04510	1.3
72.08156	2.8
73.82522	0.2
84.05129	0.3
84.05631	5.5
98.07186	0.4
99.07945	0.4
113.09486	0.3
114.09171	16.0
118.09938	0.2
126.10307	0.2
138.10246	1.3
157.03030	0.2
168.14764	0.2
178.04985	0.3
192.11288	0.3
197.13983	30.8
198.14856	0.3
206.04324	0.2
207.04831	0.4
220.10835	1.1
236.12886	0.3
238.11839	1.6
239.28349	0.2
256.12903	2.0
292.16516	0.8
295.96579	0.2
305.19742	0.9
307.21295	1.4
310.17654	1.5
325.22412	0.3
327.20087	0.2
333.19168	1.5
339.20230	1.2
351.20255	9.9
369.21332	100.0
375.58496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2134
Annotation	Pro-Val-Gly-Pro
Peak:m/z	Relative Intensity
51.01646	0.2
56.35611	0.3
60.05648	0.2
66.03600	0.3
70.06595	1.6
72.04515	4.5
72.08155	7.3
76.25616	0.3
79.05487	2.1
82.95127	0.3
84.05614	0.3
84.08143	0.6
86.07174	0.5
87.07958	1.7
91.89816	0.3
95.04978	1.3
98.06039	1.4
105.07055	3.3
107.08593	2.1
113.10773	3.8
114.09168	42.1
115.08669	1.6
122.09635	0.4
126.10263	0.7
131.11812	3.3
133.06493	2.3
135.08084	0.5
139.62726	0.3
143.11821	0.5
150.09183	2.3
151.07559	4.4
152.10712	0.5
156.11320	3.7
157.09726	0.3
161.05981	0.5
162.09120	1.9
173.13971	1.8
179.07127	0.3
180.10202	2.4
197.13979	1.8
198.12440	0.8
203.15480	1.9
204.13843	20.5
221.16478	8.8
231.14949	2.0
232.13319	5.2
236.77884	0.4
249.15979	5.8
250.14378	5.3
253.16470	0.7
256.12912	0.6
263.17542	8.7
274.15399	0.3
286.37430	0.4
291.17120	2.3
306.18121	1.6
309.18320	0.4
327.19064	2.6
351.20206	1.6
359.97015	0.4
369.21329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11695	0.4
51.97875	0.4
53.27917	0.3
55.04200	0.3
55.37074	0.3
56.31535	0.3
60.33550	0.3
72.04512	1.6
72.08155	5.6
84.05639	6.4
92.17939	0.4
95.04972	0.7
114.09171	19.0
138.10284	2.1
138.14146	0.4
180.27187	0.4
182.09273	0.7
191.93985	0.4
197.13991	29.7
208.09534	0.4
217.87958	0.5
223.05667	0.4
236.13890	0.7
238.09767	0.5
238.11871	4.4
256.12970	4.3
291.18704	0.4
292.16623	8.5
295.17615	2.5
307.21481	0.6
309.19220	0.9
310.17575	2.6
323.20782	2.1
333.19275	0.5
351.20145	3.9
369.21341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23013	0.6
63.82496	0.6
65.03916	0.9
67.05495	1.9
70.06580	4.2
72.04512	7.1
72.08152	17.0
73.05452	0.7
81.07054	1.3
84.05613	1.8
95.04973	13.7
97.07810	0.8
109.93504	0.8
112.05093	4.8
113.10714	1.1
114.09170	48.4
115.08718	1.1
126.06606	1.3
127.07404	11.6
140.08182	1.4
141.08968	8.2
150.09113	1.5
152.08122	1.8
154.09732	4.7
156.11353	1.4
163.03897	13.0
165.09024	1.3
166.09767	4.5
174.10197	1.5
176.11781	1.0
183.12463	0.9
192.11333	5.8
196.09650	1.0
197.13971	1.4
202.09721	1.1
207.06525	78.3
208.10814	0.9
209.10316	1.8
209.13962	1.3
220.10791	3.6
223.15392	0.9
224.14024	1.2
225.13469	20.0
226.14247	13.8
238.11871	3.0
251.11443	3.5
251.15056	1.1
252.12195	11.8
270.13208	1.6
271.13959	1.1
274.15698	1.1
287.18637	1.3
289.20197	1.8
305.19739	8.2
311.29453	0.9
323.20941	1.2
333.19376	6.8
351.20285	100.0
369.11789	15.2
369.21326	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2134
Annotation	Pro-Val-Gly-Pro
Peak:m/z	Relative Intensity
55.68307	0.4
59.29805	0.3
60.05657	6.9
68.59234	0.4
70.06596	25.7
71.38000	0.4
72.04504	1.7
72.08139	3.8
84.05624	3.5
84.08155	0.5
91.05467	1.6
93.07025	0.4
94.06610	0.5
112.07609	11.9
112.08752	0.6
114.09168	12.9
117.07003	3.0
119.08579	1.7
125.09501	0.9
125.54131	0.4
134.09705	1.5
135.08051	2.4
138.10268	0.7
145.06528	1.0
151.07506	0.5
159.09109	0.5
162.09151	3.9
163.07545	2.0
180.10162	2.8
181.08569	0.9
182.09309	0.5
196.14389	0.5
197.13980	14.5
198.11115	3.3
205.09702	0.5
222.12508	3.1
222.14383	0.4
238.11856	2.1
240.13387	5.8
249.34770	0.4
253.16685	0.5
256.12921	1.6
258.14487	20.1
289.20306	0.5
292.16541	2.9
295.17639	1.6
300.15561	1.0
305.19659	0.9
307.21347	1.8
310.17499	0.7
319.21295	0.5
323.20950	0.8
333.19016	0.5
337.22372	0.5
351.20261	4.3
351.23975	0.4
353.93286	0.4
369.21323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1809
Annotation	12-Demethoxytabernulosine
Peak:m/z	Relative Intensity
50.01603	0.8
51.02379	1.0
70.06234	1.3
70.06597	32.0
72.08160	37.9
77.03921	1.4
85.02915	0.8
86.09717	1.4
89.33688	0.8
95.04958	1.1
95.88749	0.9
98.06064	1.3
98.16483	0.8
105.06968	0.8
114.10252	1.4
144.08017	2.1
167.07059	1.1
170.09648	4.0
223.07553	23.1
249.05418	14.0
251.07022	100.0
263.07074	3.9
266.08139	22.5
266.43469	0.9
267.97159	0.9
268.09821	2.2
278.08151	2.0
281.08096	13.1
320.12802	15.9
337.15448	68.4
369.13846	1.4
369.17886	12.2
369.25079	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	369.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
55.92183	0.5
56.05058	0.5
61.02141	0.4
69.03426	1.0
70.06599	1.3
72.08163	3.9
85.02903	1.0
86.09735	0.7
86.61242	0.5
91.05457	1.0
95.06055	0.6
105.07011	1.1
117.70377	0.6
119.08598	3.9
123.04414	2.2
125.48582	0.5
129.07031	2.5
133.02864	3.4
133.06503	0.9
135.08043	0.6
135.43375	0.5
137.05974	11.1
144.08116	0.5
147.04413	1.2
147.08063	15.8
150.03116	5.3
151.07550	0.7
157.06491	1.3
160.05228	1.2
161.09566	0.6
165.05482	6.4
175.07547	69.5
179.10669	6.7
183.55994	0.5
189.09161	0.6
197.14040	0.5
205.10014	2.2
207.10170	100.0
245.15640	0.6
298.40018	0.6
306.87619	0.7
354.70883	0.8
369.15125	6.2
369.21042	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.8
61.52781	0.6
65.59445	0.5
70.06598	11.1
72.04523	2.5
72.08156	14.1
79.05496	1.2
81.07071	1.0
84.05635	11.1
84.08144	5.6
91.05470	1.0
92.17749	0.7
93.07067	0.9
105.07050	5.2
110.07265	0.6
114.09172	40.4
115.05448	1.0
117.62106	0.6
121.10122	0.7
124.76527	0.7
130.66666	0.6
131.04926	1.0
133.06491	9.0
135.08022	0.7
143.04921	1.2
143.11790	3.0
144.10158	1.3
155.04900	3.1
159.04347	1.1
161.05951	9.2
167.07034	57.5
174.48389	0.6
181.04958	13.8
182.11765	5.5
183.04419	4.2
184.03752	0.7
187.07576	2.7
189.05475	52.0
193.08641	12.7
197.13988	87.2
200.04738	4.4
207.06517	1.2
212.12663	0.8
215.07056	16.6
223.07530	4.3
238.15475	1.0
249.05545	1.0
249.09163	0.8
251.07008	21.9
266.08167	3.7
268.09732	0.7
281.08200	2.8
319.13834	0.7
320.12839	3.0
337.11319	1.3
337.15613	15.7
337.22278	19.0
351.12347	2.4
351.20090	3.6
351.23965	11.3
369.13470	25.5
369.21277	6.7
369.25009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.05521	3.2
55.08698	2.7
56.95398	2.7
58.03334	2.6
62.98278	2.9
69.07061	4.2
81.07075	4.2
93.07035	3.4
97.10174	4.0
101.06032	44.3
102.06380	7.7
105.06972	4.0
107.08612	3.7
109.10146	4.6
113.28710	3.2
115.09645	3.2
117.05523	4.3
119.08617	4.3
121.10157	5.6
123.08095	3.5
170.09583	4.4
171.10098	4.6
219.08090	4.0
221.09818	3.5
229.28534	3.6
232.87932	3.3
247.16869	4.0
248.08287	6.9
250.06294	4.2
256.22791	3.7
265.08676	23.8
266.09314	4.1
277.08649	6.9
279.06506	4.0
291.10159	20.4
293.08035	6.9
309.11096	14.2
319.09641	4.7
337.10635	78.1
338.11395	5.7
352.24252	5.1
352.81128	3.3
369.13211	100.0
369.24963	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	369.1331
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
50.20957	1.5
53.13391	1.6
53.23080	1.8
54.40253	1.7
55.01880	2.5
67.05502	4.7
69.07051	3.1
81.07054	4.5
83.08591	2.4
93.07032	4.7
102.06404	2.3
109.10149	3.7
137.26204	1.9
144.83315	1.9
151.73233	2.0
171.10091	3.7
172.94264	2.3
184.46111	2.2
199.12344	3.0
219.08090	3.9
220.08778	2.9
223.07373	2.9
227.38278	2.9
231.08070	4.4
232.08746	2.5
232.96310	2.4
234.06798	2.7
235.07451	3.7
237.09193	3.3
248.08362	3.3
249.09013	3.8
250.06387	2.1
252.07715	2.7
258.06729	2.7
262.09882	2.9
265.08563	25.2
266.09464	4.9
276.07755	8.2
277.08621	3.9
277.21622	5.0
279.10135	4.6
281.11575	3.8
282.08966	3.4
291.10153	32.5
293.08093	11.8
294.08865	13.4
307.09488	8.1
308.10294	3.3
309.07852	3.1
309.11017	18.8
319.09622	8.3
337.07190	4.3
337.10684	89.2
338.11533	3.5
351.25201	3.1
369.13318	100.0
369.26151	9.7
374.87787	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1334
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
52.69715	2.0
55.35689	2.1
65.03953	17.9
82.04220	3.8
93.03408	33.0
95.04987	3.2
107.04980	2.8
110.03678	28.8
111.04442	30.5
121.36449	2.2
125.05994	38.8
134.74127	2.1
153.05469	100.0
159.08151	2.6
171.10432	2.5
175.07590	3.2
185.05997	5.5
186.06837	4.8
191.08476	4.4
199.07503	25.1
199.12280	3.0
200.12631	3.0
214.06282	2.5
216.07881	26.8
219.08102	16.3
220.08839	10.9
229.08640	24.9
235.07462	10.5
236.08365	14.6
239.26985	2.3
247.07520	4.6
249.09100	9.0
250.10197	2.7
251.10640	38.5
261.09113	4.2
263.07037	4.5
264.07803	45.2
265.08588	5.1
276.08063	9.0
277.08640	11.5
278.09341	11.9
279.10202	17.2
281.07959	3.4
291.10022	5.4
292.07263	5.0
293.08032	3.4
294.08960	9.8
307.09680	81.1
308.10474	9.0
309.11234	11.0
311.09528	3.1
311.12820	16.0
319.09467	3.7
324.10074	3.0
337.10703	17.1
339.12289	46.8
351.12262	5.0
369.13339	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	369.1336
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01871	1.5
55.51164	1.4
70.02167	1.4
89.38892	1.5
107.04922	3.4
108.37126	1.6
134.16757	1.6
137.06018	2.5
144.08057	2.6
167.07053	7.3
170.09671	16.7
171.09982	17.4
172.10794	2.0
181.04988	8.0
199.12341	3.2
200.12706	6.6
202.14494	2.0
203.15050	3.4
218.79349	2.1
219.08072	3.5
220.08852	1.6
221.09653	2.7
231.07970	7.2
232.96497	2.3
234.06731	3.2
235.07584	2.6
237.09029	5.9
238.06342	2.9
239.14128	1.7
247.07632	3.2
248.08286	7.6
249.09030	7.7
251.07048	3.7
263.10724	2.4
264.07846	3.1
265.08603	13.9
266.09393	3.8
275.07178	1.8
276.07852	2.6
277.08609	8.9
279.06461	3.1
279.10086	6.7
279.92224	1.6
283.09610	6.6
291.07425	2.1
291.10229	19.0
293.08142	9.5
294.08841	14.1
295.09750	3.5
305.08246	2.6
307.09723	3.2
309.11139	15.9
311.09128	2.0
319.09579	7.2
322.08374	3.2
323.08884	2.9
337.06900	3.2
337.10681	65.8
338.11526	3.8
341.13837	9.4
369.13330	100.0
369.24854	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
63.39247	1.2
67.05501	3.0
69.07019	1.6
75.75596	1.4
78.14513	1.4
79.05489	2.8
81.07057	3.3
83.08668	1.8
97.06537	2.0
102.72481	1.6
105.03326	1.5
105.07002	1.5
107.04971	3.6
109.10130	3.1
119.55619	1.5
144.08060	8.8
145.06506	1.4
145.08411	8.2
147.11780	1.9
153.05473	2.6
153.83585	1.6
163.07613	1.5
167.07068	2.5
170.09634	26.8
171.10022	35.7
172.10771	8.6
173.11742	1.4
181.04947	2.8
194.07182	1.7
199.12318	7.2
200.12601	11.8
202.14510	8.1
203.15001	10.6
219.08031	2.5
220.08742	2.1
221.09631	2.8
223.07571	1.8
231.08119	6.7
232.08882	3.0
232.96512	3.1
235.07544	5.7
237.08980	2.5
247.07475	7.9
248.08354	8.9
249.09120	7.5
251.07047	2.1
259.07687	2.1
261.08844	1.6
262.09805	1.9
263.06989	3.0
264.07843	2.2
265.08679	17.7
266.09427	3.4
276.07874	6.2
277.08600	6.1
277.21576	6.9
278.09393	1.9
279.10303	2.4
281.11661	1.6
291.10117	22.8
293.08072	9.3
294.08835	9.7
294.11902	1.8
295.09705	1.6
307.09604	8.8
308.10342	2.8
309.11169	13.7
319.09555	3.7
322.08383	3.6
337.10690	81.5
351.12216	2.0
351.25388	7.3
354.11066	2.2
367.10019	1.7
369.13342	100.0
369.24960	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1337
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
58.58173	0.4
67.05489	0.4
69.07048	0.6
81.07063	1.3
83.04974	0.5
93.06973	0.5
95.08561	1.7
97.06456	0.4
107.08607	0.8
109.10130	0.7
119.08505	0.5
121.10095	0.7
127.58152	0.4
135.11606	0.6
137.05977	1.5
161.05891	0.5
167.06992	0.5
170.09702	0.5
172.50117	0.4
204.44156	0.5
225.84924	0.5
249.09048	0.7
261.09085	0.5
264.07761	0.8
265.08527	0.6
265.12256	0.7
266.09348	0.7
275.07718	0.4
275.10721	2.1
277.08459	0.5
278.09412	3.1
279.07083	0.8
279.10095	8.6
281.08362	0.5
281.11725	0.5
291.10120	1.8
293.08475	1.1
293.11703	13.0
294.08826	1.6
295.09586	0.8
307.09656	1.6
309.11172	5.8
323.09155	23.9
323.12650	1.9
337.10773	2.7
338.11472	100.0
351.12357	0.7
354.10956	0.7
369.13321	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1337
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
51.72333	4.3
52.83982	4.1
53.60162	3.8
65.03941	18.4
71.15544	4.3
91.05448	6.7
93.03393	11.2
96.08102	7.3
107.04955	6.2
110.03683	19.2
111.04440	34.2
114.09177	100.0
119.04972	9.1
125.05982	31.4
137.05983	8.1
153.05473	91.7
163.03882	6.7
170.09712	10.7
171.10110	7.9
181.05006	22.5
186.06694	5.0
199.07582	19.5
199.12315	9.5
200.12622	11.0
205.12175	4.9
216.07846	25.9
217.37695	5.0
219.08055	8.8
220.08839	6.2
229.08582	22.8
236.08369	9.0
248.08330	6.6
251.10664	25.4
262.06097	5.4
264.07797	29.3
277.08676	8.4
278.09363	10.8
279.10223	7.1
281.08237	7.7
293.08188	7.0
307.09631	81.1
308.10562	7.5
309.07590	6.6
309.11026	8.6
337.10721	35.5
339.12177	50.0
369.13428	58.8
369.24890	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	369.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49509	9.5
72.08147	13.8
85.02901	21.0
110.07175	10.2
115.26992	11.9
128.07504	10.6
138.05473	16.0
148.40276	10.5
168.43776	12.6
223.04668	12.8
246.09967	11.1
251.40947	10.7
259.35089	13.3
275.00720	14.4
288.68549	10.1
369.05673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79388	11.6
57.45821	11.9
58.57294	11.8
84.83340	13.0
85.02901	18.4
87.77132	12.9
100.25375	13.6
142.76353	16.4
148.52715	13.5
235.96692	14.6
278.87329	16.0
369.05890	100.0
372.29831	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	368.301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	12.5
57.09402	1.7
58.74147	2.0
62.58837	2.0
69.83699	2.1
71.08632	31.2
89.06034	100.0
104.90133	2.0
133.08632	36.8
134.11932	2.3
150.20091	2.7
151.09703	3.0
169.31827	2.5
177.11336	2.9
180.03508	2.6
239.14870	40.9
351.27405	63.7
368.24872	9.3
368.42422	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	368.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	3.8
63.82007	0.6
64.30826	0.6
70.06593	3.8
101.06024	100.0
101.19514	0.7
109.92861	0.6
144.08054	5.9
159.10155	1.0
163.03883	1.1
170.09639	19.7
171.10403	4.8
199.12326	8.0
201.13802	1.4
202.14630	6.7
217.14357	1.4
219.28964	0.8
219.48616	0.7
238.57253	0.7
292.21460	0.7
351.23752	11.0
358.52820	0.8
368.24591	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	368.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58426	0.2
54.98582	0.3
58.06599	0.6
59.95556	0.3
78.88490	0.3
83.07350	0.5
96.08123	0.5
108.08146	0.5
132.08047	0.3
144.08087	28.7
145.08859	1.7
155.07185	0.3
155.96046	0.4
158.09637	4.4
160.11223	0.7
170.09644	100.0
171.10422	24.6
172.11290	0.3
173.12112	0.3
183.09207	0.7
184.09911	0.5
186.11533	1.9
187.12344	1.9
194.59576	0.4
198.12794	4.5
199.12308	43.2
201.13876	10.6
202.14647	29.1
226.12262	1.3
241.17117	0.5
256.19293	0.4
269.20151	1.3
368.24582	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49458	0.3
57.26089	0.3
58.06607	0.6
61.51651	0.3
70.42184	0.3
96.08121	0.7
108.08141	0.7
144.08087	31.6
145.08865	1.8
151.91867	0.4
157.08855	0.4
157.14359	0.4
158.09657	3.5
159.10387	0.5
160.11263	0.6
170.09644	100.0
171.10420	26.7
183.09142	0.6
186.11531	1.9
187.12271	1.9
198.12790	5.8
199.12308	43.0
201.13882	9.5
202.14656	32.1
213.13922	0.5
226.12146	0.6
255.18510	0.6
256.19293	0.5
269.20099	0.7
277.31158	0.4
333.10233	0.4
368.24585	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	1.0
58.73650	0.4
70.06604	0.5
90.86499	0.4
100.46905	0.4
108.08040	0.5
144.08089	29.7
145.08897	0.6
158.09618	4.7
170.09645	100.0
171.10431	23.3
186.11519	1.7
187.12337	2.6
198.12790	4.6
199.12299	39.1
201.13890	8.5
202.14645	26.5
212.14317	0.6
213.14081	0.5
241.16974	0.6
269.20078	0.9
368.24600	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24030	0.3
50.39235	0.4
58.06597	0.6
59.33784	0.4
63.43939	0.5
66.37627	0.4
71.28242	0.4
83.07333	0.5
108.08095	0.8
143.07431	0.5
144.08092	32.7
145.08885	1.1
158.09610	3.5
159.10474	0.5
168.28513	0.4
170.09648	100.0
171.10423	28.9
171.11896	1.0
173.10701	0.5
183.37921	0.5
186.11534	1.1
187.12280	2.8
198.12756	5.0
199.12303	42.0
201.13872	11.4
202.14659	30.5
212.14273	0.6
226.12143	0.8
255.18599	0.8
282.65070	0.5
368.24606	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67682	0.4
54.18354	0.3
58.06592	0.8
62.64420	0.3
73.96234	0.4
83.07373	0.6
87.41164	0.4
117.87070	0.4
121.08590	0.3
144.08090	26.4
145.08875	0.9
148.33160	0.4
157.08804	0.4
158.09647	4.3
160.11174	0.6
160.36917	0.4
170.09647	100.0
171.10426	23.4
172.11226	0.5
184.09892	0.5
186.11542	1.8
187.12326	2.4
198.12762	4.3
199.12306	41.5
201.13884	10.0
202.14647	28.8
226.12270	0.8
255.18546	0.6
256.19238	0.5
269.20120	0.7
368.24603	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	368.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30866	1.1
53.03952	1.7
55.01871	4.6
57.03444	2.1
61.02917	2.5
69.03431	26.1
71.04990	2.2
71.54285	1.0
73.02911	4.7
77.67041	1.0
81.03084	0.9
81.03432	16.0
85.02912	100.0
87.00840	35.2
89.26322	1.1
97.02898	30.7
99.04456	15.7
105.01876	74.8
108.04475	1.8
109.02881	29.4
114.49931	1.1
121.34605	1.0
127.03919	68.2
129.01807	4.2
141.01938	1.2
145.04971	27.2
159.02867	12.1
163.03871	1.3
175.88258	1.1
187.52193	1.3
189.03966	1.5
211.13272	1.3
222.39388	1.2
231.05022	28.6
233.81259	1.1
249.06071	12.8
266.08807	1.5
325.95871	1.1
333.15491	2.0
350.26495	1.1
355.35147	1.1
368.19162	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	368.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01869	3.6
57.03437	1.4
61.02917	3.5
69.03432	16.8
70.06586	1.3
70.62631	0.6
71.04977	1.6
71.08636	12.7
72.08137	0.7
73.02910	4.1
79.17716	0.7
81.03430	9.9
85.02907	60.2
85.06546	29.9
86.09695	0.8
87.00826	23.0
87.04433	0.8
88.11270	100.0
90.92726	0.7
97.02890	31.5
97.06570	1.0
99.04465	10.0
103.07574	1.4
105.01870	54.5
108.04489	0.8
109.02886	21.2
109.37066	0.6
120.08114	2.5
122.07201	0.7
125.05956	0.8
127.03915	52.9
129.01837	3.9
133.10077	0.8
142.54666	0.6
145.03879	1.1
145.04967	24.4
147.02887	0.8
156.07675	1.3
159.02885	12.2
189.03906	1.0
206.04425	5.2
211.09608	0.9
213.03941	1.2
217.17152	0.8
231.04961	24.0
235.10797	3.3
249.06033	15.5
305.46487	0.7
315.10779	3.8
350.16507	0.8
368.15344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51126	0.3
62.08892	0.4
63.72392	0.5
63.84323	0.4
69.07080	0.5
70.06610	0.6
72.08160	1.0
74.70696	0.4
82.59833	0.4
84.04509	0.5
85.02904	0.6
86.09708	100.0
103.49241	0.5
107.36282	0.5
110.07234	0.6
121.76172	0.5
132.10205	79.1
138.05527	0.5
163.03905	0.7
196.03404	0.5
199.15094	0.4
236.15088	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	368.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73584	0.4
53.59034	0.5
54.18077	0.4
56.05025	2.1
59.64428	0.4
59.77404	0.4
62.06072	0.6
69.03407	0.5
69.07060	0.5
70.06602	7.4
72.08163	3.6
78.98458	0.5
82.06589	0.8
83.07372	4.2
84.04439	0.4
84.08160	5.9
85.02882	0.8
85.75194	0.5
86.09713	1.0
89.33764	0.6
93.07027	0.6
97.06512	0.8
98.06067	0.8
107.08593	0.7
110.07172	0.9
119.01379	0.5
124.08694	0.9
126.79725	0.6
129.10237	1.1
136.06242	0.6
150.09209	0.5
151.03935	0.8
152.07072	0.7
153.09093	0.9
156.07579	0.7
163.03922	2.1
168.06538	0.5
171.10109	2.0
172.02232	0.7
175.07550	0.9
177.05479	2.2
177.09148	2.3
183.08002	0.5
185.05946	0.6
186.09137	0.6
187.07521	3.7
189.11217	1.0
190.08682	0.8
195.91328	0.6
201.09117	1.1
202.08661	1.3
203.07031	3.8
203.09409	0.9
204.10173	5.8
205.08588	0.8
206.04425	0.5
206.11656	0.6
207.08905	4.8
211.07535	0.6
213.05467	1.1
218.11713	0.8
220.09677	4.9
221.04420	0.9
221.10477	6.4
222.11267	8.0
227.06978	2.3
228.10231	2.2
229.08609	2.1
231.06612	0.7
232.09766	0.7
235.05824	0.7
243.06512	0.8
244.09715	2.3
245.08026	0.8
246.11243	18.0
248.09128	2.9
254.08154	2.2
255.06624	1.1
256.09515	0.9
257.08035	0.8
264.12241	3.8
272.09134	5.8
273.07483	1.0
274.10791	2.5
276.08707	0.8
286.10672	2.3
289.07153	0.6
290.10217	7.0
300.08713	1.2
304.11584	1.1
306.13403	1.1
308.11285	7.6
332.11301	2.1
336.10754	3.3
350.12482	5.0
368.13391	100.0
368.16946	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	368.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31177	0.2
57.03435	0.2
61.02918	0.4
66.04480	0.2
68.73968	0.2
69.03420	1.2
70.06593	0.3
72.08117	0.3
73.02925	0.3
81.03409	0.4
84.05605	0.3
85.02911	4.1
87.04450	0.3
97.02876	1.3
102.92174	0.2
105.70217	0.2
109.02873	0.3
127.03932	1.1
132.04445	0.7
145.04980	0.5
155.98570	1.7
178.04991	29.0
178.33046	0.2
203.62004	0.2
206.04494	100.0
209.99687	0.4
214.29385	0.2
226.56647	0.2
236.07732	0.3
240.03242	2.8
241.20381	0.2
251.36317	0.2
282.05551	0.4
326.04343	1.7
368.05377	2.4
368.09781	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	367.248
Annotation	Annosquamosin F
Peak:m/z	Relative Intensity
52.37326	3.8
55.05516	24.0
65.73906	3.8
67.05514	27.5
69.07076	7.6
71.08636	30.5
76.84426	3.4
79.05498	8.4
81.07054	21.5
83.08589	16.1
91.05491	6.1
93.07032	16.1
95.08606	15.2
97.10157	27.1
99.08112	9.0
107.08583	14.7
109.10164	14.7
125.09606	13.8
133.10083	6.2
145.10143	5.9
254.23360	3.9
275.20157	8.1
293.21127	77.4
367.24854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2484
Annotation	Annosquamosin F
Peak:m/z	Relative Intensity
55.05516	7.8
55.96982	3.9
57.03437	8.5
67.05503	21.2
69.07071	18.8
70.08892	4.3
71.08624	30.5
76.79182	4.3
79.05486	8.9
81.07064	24.0
83.08046	4.8
83.08610	5.2
95.08624	7.2
97.10160	7.4
99.08128	7.1
105.67297	4.7
107.08611	9.9
109.10125	5.8
119.08613	5.8
126.06120	5.0
163.11211	5.5
241.52884	5.0
275.19998	6.8
293.21082	80.2
357.14633	6.9
367.24899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
55.01878	3.4
55.05522	24.9
55.17025	1.4
57.03429	9.3
57.07061	1.5
57.27972	1.5
57.36207	1.2
58.70369	1.3
60.99651	1.2
67.05515	20.2
69.07067	3.3
71.08636	32.8
74.36829	1.2
79.05522	16.7
80.88419	1.3
81.03409	2.4
81.07074	22.5
83.08605	7.9
86.19009	1.7
91.05477	7.9
93.07056	11.6
95.04980	11.0
95.08611	12.1
97.10182	14.6
99.08099	15.5
105.07035	7.0
107.04942	6.6
107.08620	11.2
109.06544	1.9
109.10149	9.1
111.08073	2.3
117.07012	2.3
119.08559	3.7
121.06506	3.6
121.10145	2.5
125.09615	13.2
131.08566	3.0
133.10135	2.8
135.08047	2.5
137.09676	2.0
145.10126	3.0
149.09584	1.7
151.11247	2.9
163.11159	3.3
165.12790	2.6
177.12726	2.3
177.74026	1.5
189.11203	7.5
214.06161	1.7
229.14435	1.8
246.10199	1.7
247.20648	2.7
267.15964	1.8
275.19995	30.9
293.21103	65.9
296.13904	1.5
349.23505	2.7
351.17419	1.7
367.24771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Betaenone A
Peak:m/z	Relative Intensity
55.05515	7.6
57.03441	7.0
67.05499	26.6
69.07079	6.5
71.08636	32.2
74.23032	3.8
79.05493	18.4
81.07055	25.7
83.04961	4.9
83.08644	5.6
91.05495	9.3
93.07052	7.8
95.04954	6.2
95.08582	18.6
97.10182	9.0
98.84877	5.7
99.08099	9.0
105.07056	10.0
105.88838	4.2
107.08578	7.1
109.10181	6.5
119.08561	6.0
121.10165	8.4
124.62643	4.6
125.09566	6.2
125.48064	4.1
132.88329	4.5
133.10162	8.4
147.11699	5.0
163.11191	5.1
170.09732	10.4
204.98267	4.4
209.93562	4.3
220.86505	4.4
275.20035	21.1
293.20959	32.0
349.23505	10.6
349.30612	6.5
367.24759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58575	0.6
54.10167	0.5
55.01879	0.9
55.05508	3.6
57.03447	7.2
57.07071	0.6
59.04994	2.6
67.05509	4.7
69.07063	3.3
69.34660	0.6
71.08652	1.1
79.05502	5.8
81.07066	5.9
81.64190	0.6
83.08608	1.6
91.05473	4.2
93.07065	5.3
95.04971	3.5
95.08607	5.3
99.08099	2.7
105.07022	3.9
106.22745	0.7
106.91895	0.6
107.04948	3.2
107.08578	3.3
109.10156	3.1
111.04469	1.4
111.08042	0.7
117.07004	1.5
119.08578	2.7
121.10139	2.7
125.09661	0.9
129.07013	0.7
131.08583	3.2
133.10147	2.6
145.10149	1.4
147.08200	0.7
147.11717	1.4
149.09636	1.4
151.11140	0.9
153.64493	0.7
158.12598	1.0
159.11716	1.0
163.11186	2.8
167.64694	0.7
173.13206	1.0
177.12677	1.4
225.40625	0.7
257.19080	1.1
275.20154	6.2
293.21091	4.6
349.23688	6.6
350.26178	4.5
367.11884	1.5
367.24594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2463
Annotation	Annosquamosin F
Peak:m/z	Relative Intensity
51.83077	2.2
63.97751	2.2
67.03283	2.3
69.83465	2.2
74.35184	2.0
80.73331	2.2
81.73932	2.2
105.07067	2.6
112.71176	2.2
127.79109	2.2
127.92702	2.3
152.94833	2.5
292.07312	2.7
307.09552	3.3
335.09250	3.3
367.11728	13.2
367.20074	4.3
367.24557	100.0
371.40057	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56907	0.3
56.05027	0.5
59.16208	0.4
70.06580	1.6
71.35059	0.4
72.04506	1.9
72.08157	3.5
80.97048	0.4
84.05623	2.8
85.91579	0.4
98.07180	2.4
99.07960	1.7
112.08770	1.5
113.09514	1.0
113.10735	0.5
114.09175	19.8
120.08102	0.6
126.10280	0.8
134.07106	0.6
138.10289	0.8
148.07582	1.0
156.11366	0.5
194.08095	2.1
197.13980	18.7
198.14793	0.8
204.11295	4.2
208.10843	0.5
211.15527	2.8
222.12383	30.7
247.15617	1.6
254.11302	1.9
308.16086	0.5
317.19785	4.6
321.19022	3.2
323.20746	1.5
335.20782	100.0
349.18646	2.6
367.19724	51.0
367.23575	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56907	0.3
56.05027	0.5
59.16208	0.4
70.06580	1.6
71.35059	0.4
72.04506	1.9
72.08157	3.5
80.97048	0.4
84.05623	2.8
85.91579	0.4
98.07180	2.4
99.07960	1.7
112.08770	1.5
113.09514	1.0
113.10735	0.5
114.09175	19.8
120.08102	0.6
126.10280	0.8
134.07106	0.6
138.10289	0.8
148.07582	1.0
156.11366	0.5
194.08095	2.1
197.13980	18.7
198.14793	0.8
204.11295	4.2
208.10843	0.5
211.15527	2.8
222.12383	30.7
247.15617	1.6
254.11302	1.9
308.16086	0.5
317.19785	4.6
321.19022	3.2
323.20746	1.5
335.20782	100.0
349.18646	2.6
367.19724	51.0
367.23575	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1982
Annotation	SKF-96365
Peak:m/z	Relative Intensity
51.20931	0.1
53.22502	0.1
56.64010	0.1
59.81789	0.1
59.91787	0.2
60.04528	0.2
68.28212	0.2
70.42284	0.2
72.04530	1.6
72.08163	2.9
84.05635	6.3
88.87211	0.2
98.07185	0.3
99.07967	0.4
113.09427	0.2
114.09171	15.8
138.10249	2.1
147.04419	0.2
148.07576	0.2
150.09122	0.3
194.08139	1.2
197.13982	24.3
198.14789	0.3
208.10818	0.8
225.17104	0.2
226.11906	0.2
236.10242	0.4
254.11339	8.3
262.15482	1.0
290.14963	1.3
306.14478	0.3
306.83881	0.2
307.17587	0.3
308.16064	4.6
321.19217	2.2
325.18649	1.2
339.20233	2.3
349.18683	0.3
350.17062	0.2
367.19766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49813	0.4
65.48487	0.4
72.04517	0.6
72.08162	5.8
82.13625	0.5
84.05632	7.0
87.76074	0.5
90.42242	0.5
92.31435	0.5
92.77306	0.5
107.65769	0.5
114.09168	18.9
138.10275	0.8
152.30544	0.6
164.55592	0.5
197.13983	24.6
197.15805	0.8
197.31833	0.6
197.60612	0.5
208.10823	0.7
222.12332	0.6
247.15652	0.8
248.12714	0.8
254.11359	8.7
262.15485	0.9
308.15952	4.1
321.19226	2.3
335.20917	1.8
339.20206	2.6
367.19772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51198	0.3
58.06600	0.7
60.27417	0.3
62.18687	0.3
69.34435	0.3
70.29320	0.4
82.40566	0.4
121.08841	0.4
144.06960	0.8
144.08090	22.8
145.08904	0.8
158.09662	2.3
170.09648	100.0
171.10423	29.3
182.09741	0.4
187.12308	0.5
197.90962	0.4
201.13875	4.5
202.14667	27.4
213.13852	0.7
216.06596	1.8
260.09195	3.3
269.20068	4.6
276.05042	2.1
287.21100	0.6
290.06631	0.6
308.07443	0.5
332.07654	0.7
348.34164	0.4
350.08759	4.6
359.93649	0.4
367.11380	4.6
367.17825	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01885	3.7
55.05521	37.5
57.03451	2.8
60.05644	3.3
61.02930	4.1
61.03225	2.4
67.32653	2.0
69.03430	27.1
70.06592	16.9
71.05003	3.6
72.08149	24.1
73.02905	4.3
81.03425	21.6
83.08120	3.4
83.08621	100.0
84.04501	9.2
84.08136	4.9
85.02906	87.9
86.09718	3.7
87.00828	42.0
87.92837	2.0
97.02905	27.4
99.04444	14.8
99.70483	2.1
101.09663	59.4
102.05531	11.3
105.01873	48.5
109.02869	30.3
109.06607	2.6
112.08703	2.4
119.10704	34.6
120.08105	28.9
121.08414	18.1
123.82522	2.3
127.03921	73.9
129.10271	3.4
136.07550	2.4
145.02843	5.1
145.04939	13.6
147.04393	13.8
153.61336	2.6
155.08177	8.3
156.08484	3.9
159.02917	2.4
161.00366	2.9
163.03938	3.2
166.08630	20.8
167.08986	22.4
173.09193	4.1
174.09503	2.7
177.05466	33.2
201.08675	2.3
213.03992	3.4
231.04982	21.4
245.11362	3.0
249.06183	4.2
285.08710	2.4
303.09735	3.7
332.57272	2.8
367.05832	16.8
367.10855	7.5
367.14737	3.9
367.18661	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1501
Annotation	1-beta-D-glucopyranosyl-L-tryptophan
Peak:m/z	Relative Intensity
54.88227	0.3
55.45372	0.3
69.03426	0.6
69.19717	0.3
72.08111	0.4
81.03433	2.4
83.06113	2.3
101.07130	0.6
129.06602	11.3
136.07716	0.3
147.04393	1.3
162.06766	4.0
163.03874	1.5
163.07603	0.5
170.09639	0.3
175.03987	0.5
176.04646	1.1
177.05347	0.4
178.06277	4.0
189.05424	2.4
190.06247	20.0
191.03381	5.2
191.06622	0.4
191.08273	7.0
193.08607	16.9
200.51711	0.3
206.05727	8.7
221.08084	100.0
261.90198	0.3
271.10852	1.4
289.11545	0.4
292.66110	0.3
307.12808	1.5
315.02917	0.4
325.14020	1.3
349.13809	2.4
367.14905	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	367.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37988	0.2
69.03419	0.2
81.03408	1.4
83.06110	2.1
84.04530	0.4
84.89783	0.2
93.07016	0.3
101.07134	0.3
105.07014	0.3
129.06604	11.4
130.04155	0.3
133.06511	0.3
144.08002	0.3
145.36359	0.2
147.04431	1.7
148.76102	0.3
161.06020	0.5
162.06726	3.8
163.03928	0.5
163.07492	0.3
175.03877	0.4
176.04724	0.4
178.06244	3.8
189.05423	1.9
190.06252	21.2
191.03391	4.8
191.07031	1.6
191.08362	1.0
193.08612	15.9
206.05751	8.1
217.73619	0.3
218.72336	0.3
221.08089	100.0
271.10696	0.4
277.47696	0.3
325.13983	0.3
349.14105	0.5
352.49631	0.3
367.15057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
60.05645	0.6
62.73928	0.3
62.74316	0.2
69.03429	0.3
70.06567	1.2
70.26625	0.2
72.07807	0.4
72.08165	6.9
83.08643	2.3
84.08151	0.7
85.02882	1.3
86.09720	1.1
93.07019	0.4
97.02865	0.5
97.07643	1.3
98.06038	0.6
100.08758	0.4
101.09654	0.8
105.01882	0.6
109.73425	0.4
110.07211	0.4
111.75368	0.3
113.10730	1.3
114.09178	9.5
114.10304	4.6
115.08675	1.9
120.08134	0.7
121.08400	0.4
127.03916	0.4
145.02835	1.7
156.11316	4.5
159.10175	0.6
163.03912	2.8
164.07004	0.4
177.05458	5.6
188.08530	0.5
193.97893	0.3
195.01122	100.0
203.03441	1.6
208.10156	0.5
230.59085	0.3
237.02194	1.3
247.14398	0.4
248.12881	1.3
249.06236	0.3
290.08499	1.2
290.14893	1.8
307.11081	0.4
308.09665	1.8
325.12088	0.6
331.16565	1.4
348.58237	0.4
350.12045	0.6
367.14392	70.3
367.19162	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	367.118
Annotation	Candidusin C
Peak:m/z	Relative Intensity
55.01870	3.3
57.34397	0.6
58.29627	0.6
60.42202	0.7
63.88221	0.6
65.88669	0.8
67.05508	1.0
72.44435	0.7
88.24558	0.7
92.18463	1.5
96.36662	0.8
114.01257	0.9
131.04947	1.1
133.10133	0.8
178.07751	0.7
190.07761	1.0
191.08571	3.0
202.07791	4.1
203.08594	1.4
207.08081	1.1
208.08932	1.5
218.07291	9.8
219.08051	7.8
220.08762	5.2
221.05983	1.5
221.09639	1.4
222.06818	0.7
230.45900	0.7
231.08080	4.3
232.08946	0.8
233.09558	2.6
234.06793	3.4
235.07558	4.9
236.08290	8.9
237.09131	1.0
245.05969	1.0
246.06837	9.2
247.07573	9.9
248.08427	5.2
249.05457	0.9
249.09099	4.6
250.09763	1.6
252.07816	0.8
261.06177	1.2
261.09116	29.6
262.06256	1.4
262.09906	1.0
263.07098	4.0
264.07803	19.2
265.08548	1.6
274.06204	3.5
275.07092	3.3
276.07828	3.8
277.05524	1.4
277.08655	8.9
278.09323	13.0
279.07080	0.7
279.10165	5.2
281.07947	1.3
289.08603	33.6
292.07315	20.3
293.08255	5.4
305.08090	6.8
306.08914	3.7
307.09659	22.7
308.10455	5.1
309.07675	3.1
317.08096	7.2
320.06866	4.0
335.09161	100.0
336.10110	1.4
355.63086	0.8
367.11795	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
60.04536	11.1
61.04894	0.8
65.31633	0.7
66.48881	0.7
67.02523	0.8
67.52747	0.7
70.53683	0.8
72.08153	4.8
76.99391	0.8
81.07066	0.8
87.47806	1.0
95.08624	1.2
114.10310	3.9
119.08607	1.0
123.04411	4.2
131.04907	1.6
147.04446	1.1
161.05994	1.7
161.08376	1.7
161.09592	17.4
163.03918	2.2
175.06235	8.5
176.07217	1.2
186.05559	1.7
187.11375	1.1
188.10748	1.3
189.07893	10.6
194.02719	2.0
195.03108	3.4
204.06604	2.1
205.12265	7.4
214.05048	1.9
216.06570	23.4
217.07552	1.0
218.08032	9.0
230.64160	1.1
233.09314	5.0
242.08133	1.4
246.07678	5.0
248.05670	2.0
260.09174	46.2
260.11841	1.6
270.07614	1.5
272.05591	1.9
276.05029	37.4
277.11957	5.6
286.07166	2.2
288.08792	3.7
290.06610	18.3
304.08051	3.5
308.07706	13.7
313.25626	1.1
314.06580	4.3
331.26724	1.6
332.07611	10.1
349.27878	1.9
350.08716	57.7
366.70728	3.7
367.07712	9.3
367.11505	100.0
367.16467	8.0
367.20813	7.1
367.28854	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	367.1141
Annotation	Speranskilatine A
Peak:m/z	Relative Intensity
54.61656	0.4
55.05510	0.4
57.18906	0.4
60.04528	0.7
62.82216	0.4
68.56060	0.4
70.06572	2.7
72.08160	6.9
73.04130	0.4
84.04504	0.5
84.08150	3.3
86.09708	0.5
88.03960	0.5
88.11280	0.8
89.10773	0.5
91.05422	0.4
93.80346	0.4
95.06113	0.8
98.06029	0.7
99.05548	0.5
105.31664	0.4
110.07235	0.5
115.08633	0.6
120.08088	2.2
129.10202	4.3
137.02332	2.0
144.08067	0.5
147.04430	7.9
149.02658	0.6
159.07645	2.2
163.03856	0.8
175.03905	3.7
184.06052	0.6
187.07210	0.7
196.07678	0.5
205.09775	0.9
208.32410	0.5
213.06616	2.0
214.08682	1.0
215.08194	1.7
219.07579	2.5
229.06120	13.6
230.06859	10.0
231.07655	3.4
239.08125	2.1
240.06570	0.7
241.06024	2.5
243.07608	0.9
247.10855	0.5
256.08322	0.8
257.09213	13.3
259.07114	6.5
260.08337	0.4
261.08688	1.7
273.08618	1.0
275.10239	1.0
277.08209	1.0
285.08701	25.9
303.09738	46.1
307.09393	0.6
313.08206	2.4
321.10922	3.3
331.09232	16.3
349.10327	29.4
349.14075	1.6
367.11313	100.0
367.14914	5.6
367.18817	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	366.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.9
56.05033	0.9
58.99565	0.8
60.04536	71.2
66.52832	0.7
67.05502	5.0
69.07082	1.0
70.06585	3.9
70.06955	0.7
71.04973	0.6
72.04530	1.0
73.27402	0.7
74.06079	0.7
76.02224	1.4
78.11983	0.7
79.05496	4.4
81.07067	12.1
82.06561	1.0
84.04504	3.3
85.06550	3.5
86.09719	5.7
91.05460	1.4
93.07043	4.5
95.08601	8.4
95.43016	0.8
99.08082	3.3
105.07015	1.2
107.08560	4.0
108.33179	0.7
109.10143	4.6
111.08038	0.9
114.09171	0.7
117.07070	0.7
119.08575	3.6
120.08096	1.5
121.10145	3.8
130.05016	1.4
131.08591	1.0
133.10110	3.4
134.09663	0.8
135.11693	2.8
137.09691	0.8
143.08531	0.8
145.10162	1.1
147.11652	1.0
149.13187	1.3
149.47429	0.7
150.45959	0.8
158.59427	0.7
158.62616	0.7
159.11642	0.7
161.13274	1.5
162.02228	1.0
185.26515	0.7
217.19429	0.7
231.74025	0.8
264.23364	0.9
276.23273	3.2
294.24283	4.6
308.09198	1.1
312.25174	5.1
330.26407	6.8
348.27444	12.4
366.16275	9.1
366.28519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98283	0.5
55.05521	0.7
56.05048	1.9
60.04533	68.4
60.16472	0.6
63.94067	0.5
67.05514	5.3
69.07075	1.3
70.06584	2.4
72.04493	0.8
72.08133	3.6
79.05488	3.9
81.07055	10.3
83.08587	0.8
85.06557	2.1
86.09688	1.2
86.42260	0.7
89.17464	0.6
89.87517	0.5
90.05561	1.0
91.05458	1.5
93.07069	4.7
95.08620	5.5
96.62537	0.6
99.08078	4.3
105.07008	3.3
107.08593	3.8
108.52321	0.6
109.10140	4.6
113.66031	0.6
114.10281	3.2
116.06996	0.7
117.07010	0.9
119.08550	3.0
121.10151	3.7
123.11681	0.8
131.08531	1.2
133.10109	1.2
135.11693	2.9
145.10107	2.4
147.11703	2.6
148.78500	0.8
149.13307	0.7
151.93048	0.6
154.12335	0.7
158.83714	0.6
161.13283	0.8
167.64514	0.6
174.56468	0.7
194.02753	2.4
236.03825	2.8
264.23196	0.7
276.23221	3.7
282.24231	0.6
294.24323	3.8
307.11160	3.3
312.25394	3.3
330.26370	5.5
331.34961	0.6
348.27408	12.8
366.15942	7.1
366.28506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26474	0.3
55.05532	1.6
56.05058	1.3
60.04536	71.3
61.57222	0.3
61.95086	0.3
67.05514	5.4
69.07061	1.5
70.06610	0.6
71.05007	0.8
72.04530	1.3
74.06098	1.7
79.05500	4.2
80.05032	0.6
81.03453	0.4
81.07065	8.9
82.06587	0.8
83.08617	0.7
85.06558	1.5
86.06122	0.6
90.05600	0.5
91.05482	2.6
92.53459	0.3
93.07057	4.4
94.06556	0.5
95.04967	0.6
95.08612	10.0
96.08168	0.5
97.06521	0.4
97.10168	0.5
98.06082	0.6
99.08064	0.4
102.05564	3.7
104.27965	0.3
105.07059	2.3
107.08604	4.0
109.10151	3.6
111.08090	0.5
112.07583	0.4
116.07096	0.7
117.07014	0.4
119.08571	3.0
120.98251	0.3
121.10149	6.4
123.08044	0.4
123.11738	1.4
125.09657	0.4
131.08586	0.8
133.10167	2.7
135.11682	4.2
142.08649	0.5
145.10162	0.8
147.11746	2.5
149.13245	0.9
159.11661	0.4
161.13297	2.3
163.14879	0.6
171.11726	0.4
175.14812	0.6
177.16374	0.8
187.14912	0.4
189.16512	0.5
197.97522	0.3
217.19658	0.5
241.19608	0.4
271.95050	0.3
276.23251	4.1
294.24344	5.2
312.25403	5.2
330.26392	9.7
348.27490	16.6
366.28522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26264	0.7
50.82134	0.7
51.00852	0.6
51.17679	0.6
55.05505	0.9
56.05043	1.7
60.04533	69.5
62.68892	0.7
66.56898	0.7
67.05505	7.9
69.07047	1.3
70.06581	3.3
72.04501	1.0
72.08125	1.2
74.06044	1.2
74.52103	0.8
78.28214	0.8
79.05482	3.9
81.03402	0.9
81.07063	11.9
82.06570	0.9
84.08145	1.1
85.06538	1.9
85.20826	0.9
90.05499	0.8
91.05466	1.6
93.07043	6.1
95.08607	8.8
97.43147	0.9
102.05534	3.5
105.07038	3.5
107.08620	6.5
109.10181	6.6
117.07056	1.0
119.08559	3.0
120.08105	1.2
121.10126	4.4
125.09558	1.1
131.08514	1.4
133.10133	3.4
135.11691	4.1
135.17213	0.8
145.10190	1.0
146.05882	0.8
147.11687	3.0
153.09137	1.3
160.07520	0.9
161.13269	1.5
173.13243	0.8
217.10684	1.6
217.19588	1.1
264.23047	0.9
276.23257	5.3
278.08408	0.8
294.24329	4.0
312.25424	5.5
330.26361	8.3
348.27460	13.2
366.28497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
55.05499	1.2
56.05046	2.0
56.21798	0.5
58.13244	0.5
60.04534	63.6
67.05518	5.8
69.03419	0.8
69.07063	1.0
70.06564	2.1
71.04978	0.7
72.04506	1.2
72.08163	6.4
74.06078	0.9
79.05483	3.2
80.05024	0.8
81.07072	7.9
83.08639	0.9
84.04501	3.0
84.08176	0.7
85.06506	0.6
91.05477	2.6
92.18382	0.8
93.07056	6.0
94.06520	0.8
95.08616	7.8
97.06528	0.9
99.08102	0.8
102.05544	3.6
105.07037	1.5
107.08571	3.2
109.06554	0.6
109.10148	3.4
112.93904	0.5
114.09154	4.1
114.10291	2.6
115.09454	1.1
116.07072	2.4
118.97411	0.6
119.08561	1.3
120.08091	1.1
120.10326	0.6
121.10123	6.4
130.04991	0.8
130.06596	0.8
131.08536	0.8
133.10098	3.2
135.11685	3.8
136.07617	1.1
145.10085	1.2
147.11652	2.8
149.13274	1.1
159.11824	0.6
161.13226	1.0
161.94701	0.8
175.14870	0.8
177.16364	0.8
183.42549	0.6
189.64655	0.6
194.02728	7.9
203.17918	0.9
221.11057	0.8
236.03505	0.8
264.23306	0.8
276.23187	3.0
294.24387	4.8
307.11203	0.7
312.25330	4.1
330.26364	8.2
334.19400	5.4
348.27454	16.5
366.15988	11.1
366.28497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.0
56.40199	1.4
56.66896	1.5
57.07076	1.6
67.05519	3.2
69.00713	1.6
69.07059	2.1
72.57249	1.7
72.97357	1.6
80.93616	2.2
81.07086	7.2
83.08631	3.7
89.92121	1.6
91.05503	2.3
95.08648	3.1
97.10168	13.3
104.28356	1.6
107.04952	1.9
107.08612	9.9
112.06341	1.8
119.08562	3.1
125.09619	17.9
137.87276	1.8
140.14386	14.8
164.62051	2.0
210.15945	2.0
212.96799	1.8
219.56323	1.7
274.21793	8.6
275.20078	2.6
292.22751	11.2
293.21457	2.0
306.24341	6.8
307.22675	15.0
307.60876	2.1
324.25366	2.6
366.26425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67313	1.9
65.55128	1.7
68.81882	1.8
70.82429	2.0
79.05468	2.3
80.72029	1.9
81.07061	3.6
93.07054	3.6
94.33398	2.2
95.08615	26.9
97.55691	2.0
105.07037	3.3
107.08607	10.6
111.11739	2.7
116.26022	2.0
121.10141	70.9
121.10963	3.9
133.10124	2.1
135.11699	2.0
145.10127	2.9
147.11652	3.7
163.85318	2.2
181.12259	11.7
183.02109	2.1
229.19521	45.1
257.19031	4.0
289.21613	100.0
289.24838	3.6
293.58783	2.7
349.23749	2.9
366.10864	2.3
366.26471	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	366.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	3.6
57.03429	0.6
65.37002	0.6
71.42870	0.7
81.64140	0.6
82.88185	0.7
84.65747	0.7
87.07676	0.6
88.58141	0.7
91.12933	0.7
164.85536	0.6
179.46278	0.7
187.06517	0.9
213.07999	11.1
225.07979	4.6
227.09604	4.4
229.11137	0.8
231.09111	6.1
232.39839	0.7
237.08023	1.0
239.09642	4.4
241.07401	1.2
243.09041	39.6
245.10660	1.2
255.09073	8.1
257.10587	39.4
259.08389	0.7
261.10132	16.0
273.10129	19.0
275.11713	14.6
283.15836	3.5
291.10861	1.0
296.11600	0.8
307.15894	6.3
325.13702	1.1
325.16870	49.9
343.17944	100.0
361.18903	7.0
366.19144	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	366.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52531	0.5
56.01680	0.4
59.99108	3.4
72.04527	30.1
72.08165	7.2
88.01699	0.8
88.02222	18.4
89.10789	2.9
91.34838	0.5
100.07629	100.0
111.97615	0.5
116.05325	39.9
116.06149	1.3
122.91647	0.6
124.33150	0.5
138.25246	0.5
149.00592	0.5
176.99976	0.8
204.99579	6.0
252.10606	0.7
261.53720	0.5
265.13947	0.5
276.06879	4.2
277.37216	0.5
278.08466	3.2
293.09659	3.5
332.19693	2.9
349.15738	5.3
365.55966	0.6
366.18472	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	366.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99114	2.2
72.04524	25.3
72.08173	6.0
74.09723	0.7
82.79796	0.3
83.54264	0.3
85.26382	0.3
86.09710	0.4
88.02225	11.8
89.10799	1.6
90.82379	0.3
95.08542	0.3
100.07627	100.0
105.35622	0.3
106.63937	0.3
113.01945	0.3
115.08688	0.4
116.05321	24.8
136.06216	0.5
163.03828	0.3
177.00032	0.4
204.99574	7.7
237.84828	0.4
252.10529	0.6
276.06885	4.5
278.08441	3.1
293.09537	2.3
318.78601	0.3
332.19620	1.2
349.15842	5.7
366.18475	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55296	0.3
53.72276	0.3
57.96576	0.4
59.99113	2.5
61.99662	0.4
72.04522	26.5
72.08157	6.9
74.09723	0.6
83.37054	0.4
88.02220	13.9
89.10802	2.5
100.07623	100.0
116.05315	29.5
129.41924	0.4
177.00076	0.5
204.99545	7.8
222.34099	0.4
233.04515	0.9
234.04816	0.9
252.10504	0.5
276.06891	5.3
278.08276	4.1
293.09586	2.7
332.19653	1.6
349.15836	5.3
366.18430	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36084	1.3
53.03952	2.4
55.01866	6.4
57.03444	2.6
60.23799	1.3
61.02929	3.5
69.03437	26.8
71.05003	3.4
73.02919	5.5
81.03426	20.8
83.08598	2.1
85.02914	100.0
87.00831	45.2
87.03571	1.4
92.18449	2.7
97.02903	34.9
99.04462	13.3
103.03945	1.9
105.01877	71.7
109.02891	36.1
109.43507	1.4
126.05402	1.5
127.03922	77.4
129.01834	2.2
145.04976	27.6
147.02879	2.4
158.19377	1.3
159.02875	18.0
191.10658	1.9
207.24350	1.6
209.11794	6.7
213.03827	1.9
231.04987	31.7
249.06020	14.1
295.11789	9.7
313.12872	8.4
331.14059	2.0
366.17645	8.5
366.22150	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	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
57.07076	7.3
85.06518	4.9
104.30001	4.6
104.80166	3.6
120.19970	3.7
149.57155	4.1
169.27933	4.8
175.25357	4.2
240.67445	4.7
263.20093	5.7
288.82538	4.0
347.25714	41.9
365.22794	4.0
365.26926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1339
Annotation	Corynoloxine
Peak:m/z	Relative Intensity
50.83751	1.2
53.45932	1.2
70.06584	5.7
72.08156	3.2
85.02908	3.2
95.04978	7.5
105.01859	2.3
107.04953	18.5
110.06017	3.0
114.09140	2.3
127.03889	2.7
131.32593	1.7
132.38788	1.4
135.08041	2.1
138.05513	3.1
144.08043	3.6
170.09677	9.0
171.13840	5.9
188.12979	2.0
219.22874	1.5
243.06418	1.7
255.06477	10.1
287.17584	2.0
309.07596	3.4
321.11130	2.6
323.09235	3.1
331.09857	1.5
337.10568	3.3
348.12396	24.5
349.10724	76.4
349.14960	3.4
366.13388	100.0
366.20148	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	365.269
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
51.17332	0.6
55.05522	0.8
57.07086	35.3
64.21165	0.6
67.05507	1.2
69.07072	2.8
81.07052	3.9
83.14130	0.7
85.06075	0.8
85.06551	19.0
85.82490	0.7
86.68874	0.7
93.07047	1.3
95.08607	3.6
97.06490	0.9
97.10169	0.7
105.07022	1.3
107.08598	3.9
109.06538	8.7
109.10166	1.2
116.83282	0.7
119.08558	0.9
119.23073	0.7
121.10168	1.5
123.08074	5.3
135.08099	6.2
135.11720	1.1
147.11667	0.8
149.09587	1.0
151.07448	0.7
163.11320	0.7
165.43130	0.7
177.12834	1.2
191.14223	1.3
195.13808	0.9
263.20090	21.8
279.19644	1.3
305.24615	1.6
347.25812	43.2
348.87726	0.7
365.26880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	1.8
62.10078	1.7
70.06582	1.7
75.59596	1.5
119.08611	2.0
209.63577	1.8
249.96666	1.6
254.20323	1.7
265.14041	2.2
301.29221	2.6
303.29813	4.0
365.22989	100.0
365.33371	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	365.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49305	0.1
57.03439	0.8
58.06598	1.8
59.07364	0.3
60.08159	1.2
61.41380	0.2
70.06591	3.0
71.04994	0.3
72.08140	0.4
75.04487	0.3
83.76820	0.2
84.04510	0.2
84.08150	0.4
85.02898	0.3
87.04469	1.1
103.03943	0.2
112.08720	1.9
119.01910	0.3
120.37105	0.2
130.09767	6.0
131.01843	0.2
131.07018	0.9
136.06245	0.2
143.01877	1.1
173.03004	0.4
185.02899	0.2
203.05479	0.5
203.07666	0.5
215.07646	0.4
221.06673	0.9
236.14931	100.0
245.05057	0.7
252.73706	0.2
264.07019	0.8
266.58401	0.2
282.08081	0.3
305.10641	0.9
321.14493	0.5
365.10654	4.8
365.14511	0.2
365.23950	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66292	0.3
57.07045	0.3
72.51951	0.4
78.51929	0.3
79.54507	0.4
107.81285	0.3
227.40668	0.4
326.89853	0.4
348.66977	0.3
365.22992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79180	0.9
63.52668	0.6
69.77611	0.8
79.05441	0.7
107.08569	0.9
131.00055	0.8
177.05408	0.8
216.15999	0.9
249.55161	0.9
349.78870	0.9
365.23001	100.0
384.88986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96899	0.5
58.76371	0.5
61.08416	0.5
66.57843	0.5
69.06810	0.4
69.07078	6.7
70.06586	0.8
72.08150	6.8
72.33332	0.5
79.05476	2.8
80.37168	0.7
82.71231	0.5
83.08554	0.6
97.06531	68.0
98.06019	2.4
114.09220	0.7
114.64470	0.5
115.08667	1.3
119.87557	0.6
131.25095	0.6
133.10104	1.1
135.04446	0.7
136.06169	5.5
142.08914	0.6
153.56760	0.6
159.04410	4.0
161.02335	8.8
163.03899	44.2
173.02338	15.8
175.03891	1.0
185.05917	0.7
187.07594	1.4
197.05975	2.4
203.07005	1.0
215.07022	100.0
241.08585	1.4
259.09628	15.8
261.15356	0.5
277.10696	52.6
283.75397	0.5
313.91351	0.6
347.19684	14.6
348.18152	6.3
357.98370	0.6
365.20685	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96899	0.5
58.76371	0.5
61.08416	0.5
66.57843	0.5
69.06810	0.4
69.07078	6.7
70.06586	0.8
72.08150	6.8
72.33332	0.5
79.05476	2.8
80.37168	0.7
82.71231	0.5
83.08554	0.6
97.06531	68.0
98.06019	2.4
114.09220	0.7
114.64470	0.5
115.08667	1.3
119.87557	0.6
131.25095	0.6
133.10104	1.1
135.04446	0.7
136.06169	5.5
142.08914	0.6
153.56760	0.6
159.04410	4.0
161.02335	8.8
163.03899	44.2
173.02338	15.8
175.03891	1.0
185.05917	0.7
187.07594	1.4
197.05975	2.4
203.07005	1.0
215.07022	100.0
241.08585	1.4
259.09628	15.8
261.15356	0.5
277.10696	52.6
283.75397	0.5
313.91351	0.6
347.19684	14.6
348.18152	6.3
357.98370	0.6
365.20685	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
57.03417	0.8
59.27243	0.5
65.68693	0.5
69.06747	0.8
69.07082	11.5
72.08145	2.5
76.38995	0.5
79.05489	3.4
81.07072	0.6
91.63026	0.6
97.06537	79.9
101.00597	0.5
115.08701	1.0
119.08553	0.7
129.88493	0.6
135.04495	0.8
145.02838	0.9
159.04390	2.6
161.02341	7.4
163.03903	53.6
173.02350	22.9
185.05998	0.9
185.09581	0.7
215.07036	100.0
241.08627	2.5
259.09653	55.8
277.10706	43.5
330.16931	0.8
347.19467	7.7
348.18069	5.2
365.20703	97.8
368.17807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00801	0.7
79.83493	0.6
80.45670	0.7
84.68889	0.7
102.27210	0.7
117.44371	0.6
126.05550	0.8
138.05467	2.8
145.93565	0.7
221.02979	0.9
240.53136	0.7
365.08380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07606	0.5
79.03791	0.5
79.04261	0.6
80.20080	0.6
85.02908	1.0
92.99971	0.6
106.96909	0.7
122.33984	0.6
131.01936	3.9
137.01906	2.6
140.42845	0.6
143.01933	3.6
151.00728	0.7
152.02420	0.8
155.01950	0.7
161.02980	0.7
163.00670	0.6
164.02449	1.5
173.02957	12.6
182.03488	2.7
185.02844	0.7
185.04330	1.0
203.03761	1.0
203.05359	15.2
236.14970	5.8
242.05795	0.8
263.06131	2.3
272.37595	0.7
284.06677	1.2
290.83713	0.6
296.20618	0.7
307.93735	0.7
365.10635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0638
Annotation	Dehydropachyrrhizone
Peak:m/z	Relative Intensity
54.41497	1.0
55.06686	0.9
55.72071	1.0
56.28439	0.9
70.06593	1.1
72.08174	1.1
85.59215	1.0
86.33954	0.9
110.73152	1.2
121.74055	1.0
163.03828	1.4
176.77563	1.1
193.04974	2.1
200.88983	1.1
220.09500	1.3
365.06342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3211
Annotation	Terminaline
Peak:m/z	Relative Intensity
55.05505	11.7
55.45689	6.9
67.05499	35.8
69.00872	6.8
69.07067	12.6
75.09003	6.8
81.07063	35.1
89.88020	8.2
93.07038	28.2
95.08624	16.5
96.67768	7.1
107.08561	10.5
121.10131	11.8
133.10194	10.5
139.83565	7.1
181.33990	6.7
198.66783	10.3
272.73093	7.1
305.24762	18.0
312.05917	7.7
325.61307	7.8
336.20059	8.6
364.32135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2699
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
51.74325	1.0
55.05512	5.1
56.05055	1.2
57.03426	1.7
60.04538	100.0
61.13913	1.0
67.05508	2.4
70.06588	2.5
71.04993	1.3
72.04522	1.4
72.08152	9.2
74.06071	2.2
77.50163	1.2
79.05504	6.0
80.05045	1.7
80.70030	1.3
81.03431	1.5
81.07054	7.4
83.05022	1.6
83.08630	12.8
86.09724	1.6
93.07063	9.4
95.08601	7.6
96.08132	1.8
98.06077	2.1
105.07037	2.5
107.04973	1.7
107.08616	5.0
109.10197	2.6
111.08061	2.9
116.07126	1.5
119.08570	7.2
120.08171	1.7
121.10130	5.3
131.08594	7.4
133.10150	2.9
135.11676	2.2
139.11229	2.3
145.10150	2.3
147.11671	5.0
149.05962	1.2
149.09651	2.9
151.03931	5.1
152.04276	2.1
159.11655	1.8
161.13210	2.8
163.03891	2.3
163.11081	1.3
173.13399	1.3
175.14668	1.8
186.09109	2.3
187.09677	1.2
199.02350	1.6
207.06519	1.9
234.02194	8.5
262.80591	1.3
274.21609	4.9
292.22797	9.8
303.46320	1.3
310.23798	19.8
328.24814	36.7
334.64877	2.1
346.25900	90.2
354.35413	1.3
364.14545	3.0
364.19031	5.3
364.26990	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.0
56.05037	2.0
57.03441	3.0
60.04536	100.0
67.05499	2.5
69.07061	2.3
70.06595	1.3
72.08152	8.2
72.64925	1.3
79.05492	5.5
80.05019	2.3
81.07052	6.8
82.06584	2.4
83.04973	1.4
83.08632	11.4
85.05550	1.3
85.33652	1.2
90.12341	1.3
93.07033	7.6
94.06584	1.3
95.08613	7.7
96.08105	1.5
99.08040	1.4
102.05539	5.1
105.07035	3.1
107.08596	7.9
109.10159	2.5
111.08041	1.6
117.06996	2.5
119.08573	7.6
121.10122	6.6
131.08562	6.7
133.10133	7.0
135.08043	1.7
135.11702	2.4
138.94618	1.5
139.11212	2.4
145.10124	2.9
147.11671	5.5
148.11145	1.4
159.11720	1.9
161.13286	1.7
163.03938	2.2
164.55167	1.3
175.14890	1.6
186.09166	2.9
207.06593	3.1
234.02240	7.5
253.98534	1.4
274.21619	5.2
292.22763	9.9
310.23767	17.3
328.24835	38.9
346.25888	85.1
346.30139	2.8
364.14218	2.5
364.18405	7.7
364.26959	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25791	0.8
57.07067	0.7
58.64981	0.6
62.89665	0.7
73.02926	52.0
75.70474	0.8
87.04483	12.3
98.51888	0.7
99.04441	0.8
103.05476	0.9
110.47543	0.9
131.04944	4.0
145.06557	0.9
149.05986	56.2
163.03856	1.2
163.07544	3.7
173.09625	4.3
186.09148	1.2
191.10699	10.7
205.12254	15.1
215.10747	1.0
221.08112	1.2
266.61752	0.9
277.14362	8.6
305.13834	100.0
364.21191	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85586	0.2
57.07076	1.9
67.05508	0.3
80.88910	0.3
81.07035	0.3
85.06541	1.8
95.48417	0.3
96.27978	0.3
114.01410	0.3
127.70083	0.3
131.04950	1.5
148.69905	0.3
159.04442	2.8
169.10075	0.7
173.05984	1.2
175.03949	0.7
177.05432	4.0
179.08514	0.5
187.03914	0.5
187.07472	0.6
187.11209	0.7
189.05577	0.4
193.04961	0.5
197.09573	2.4
201.05504	3.2
201.09088	1.3
205.04982	1.5
207.08076	0.4
215.07367	0.4
215.10684	14.6
219.06453	0.6
220.07277	0.6
225.09129	3.2
228.07777	0.4
243.10135	3.1
261.11243	5.6
269.53607	0.4
277.14212	0.4
287.12833	5.1
305.13846	100.0
364.21188	38.3
364.26132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.212
Annotation	Consiculine
Peak:m/z	Relative Intensity
50.56161	0.4
55.05513	0.5
58.06598	1.9
61.44209	0.4
61.52523	0.4
67.05502	0.7
68.05038	9.6
69.07065	6.7
70.06588	1.0
72.08159	1.0
80.05026	2.1
81.07056	0.6
85.98368	0.5
86.06074	45.8
93.07043	1.1
95.08610	1.1
98.06070	0.8
114.09140	1.8
116.07076	1.8
119.08558	2.4
128.80812	0.5
136.11221	11.1
141.69061	0.5
143.34921	0.5
144.83679	0.4
154.11031	0.7
154.12277	19.2
154.13503	1.2
158.90553	0.5
164.07132	0.5
172.13315	14.6
175.07605	0.5
176.96893	0.7
189.21033	0.5
193.08611	39.8
234.87704	0.5
297.55670	0.6
332.12170	0.6
364.21198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11998	0.3
55.67508	0.3
57.92466	0.3
60.04274	0.4
60.04536	4.9
61.09501	0.3
63.31694	0.3
70.06589	1.5
72.04536	0.5
72.08160	25.5
81.07031	0.4
84.08134	0.7
87.37879	0.3
89.10776	0.5
93.07053	0.4
93.51649	0.3
97.07669	2.5
98.06023	0.4
104.91974	0.3
114.10294	29.4
115.08692	2.8
124.44582	0.3
131.13011	0.5
147.04378	0.4
152.79250	0.4
162.05476	4.1
163.03914	0.5
170.59793	0.4
176.07037	1.4
177.67250	0.3
190.08636	0.9
192.06555	48.1
201.06419	0.4
206.08118	1.3
215.08229	0.5
216.06401	2.2
216.07770	3.5
218.07927	0.4
228.10139	0.5
230.08083	0.8
233.09135	1.6
234.07614	11.8
245.12892	1.5
258.08746	1.8
270.11087	0.4
275.13904	0.7
276.09250	0.5
287.13922	18.2
304.16516	6.8
305.14969	20.9
305.18503	0.7
310.24130	0.4
322.17703	0.7
328.24811	0.4
329.16092	10.6
342.16449	1.3
346.25793	2.9
347.17227	6.2
364.19788	100.0
364.27060	4.9
382.45517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18871	0.5
55.05505	0.7
60.04523	2.7
67.05487	0.7
69.03436	0.6
70.06577	3.1
72.08159	21.4
82.07702	0.5
82.81886	0.5
87.59609	0.7
97.07644	3.9
103.79530	0.6
105.07027	1.1
107.08575	0.6
109.79090	0.6
114.10289	39.2
115.08687	4.7
117.07016	0.6
119.08567	0.6
121.06516	0.7
128.55774	0.6
131.12875	1.0
136.06175	4.8
143.61905	0.7
163.03885	2.5
164.07019	0.8
177.05475	0.7
178.04990	1.2
181.08562	1.3
182.08900	2.7
192.06548	76.1
206.08070	2.3
233.09244	1.1
234.07599	14.9
291.13489	0.7
304.16531	5.6
305.14920	18.8
305.18359	0.8
347.17078	8.8
364.19785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67661	0.3
61.85952	0.4
62.02853	0.3
63.39456	0.3
66.96901	0.3
69.29541	0.3
73.17574	0.3
79.05489	0.6
85.02898	1.7
91.05482	3.3
93.07047	100.0
95.04974	1.6
97.70506	0.4
105.07019	0.4
107.08606	0.7
111.08115	0.5
120.79446	0.4
121.10144	50.3
129.18513	0.4
149.08749	0.7
149.09622	38.5
167.10670	42.2
198.09723	0.4
218.55290	0.4
339.85461	0.4
384.22556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64746	0.4
53.82854	0.4
58.06594	1.9
70.06583	2.0
72.08161	27.4
83.09035	0.5
84.08147	5.2
85.07677	8.4
86.06072	0.7
96.03879	0.4
98.06072	3.7
101.07166	0.6
108.50506	0.4
110.09673	0.7
112.11258	18.1
113.07121	1.1
114.09161	1.9
123.04411	2.2
129.13867	4.9
139.12267	0.7
147.04379	2.1
155.11798	12.0
156.14993	1.0
163.03853	1.7
165.05475	5.9
165.90482	0.5
167.03348	1.2
172.14444	2.5
175.03923	6.9
177.05431	0.9
181.04999	0.7
190.05003	5.2
208.20927	0.4
209.04465	6.2
230.04512	0.6
231.11417	0.7
232.09685	14.3
234.11192	0.6
236.12833	1.7
248.09251	0.8
257.09097	1.6
258.07657	0.7
262.10693	2.0
265.11853	2.1
275.10245	4.1
276.08719	0.9
293.11377	1.1
335.82004	0.5
336.19302	0.7
346.17621	2.6
347.16348	0.8
364.18680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57780	0.4
53.87884	0.3
55.05532	0.8
60.04548	0.8
60.47142	0.4
65.57291	0.4
70.06600	17.6
72.08153	6.5
73.08540	0.4
76.02258	0.6
78.31783	0.4
81.07118	0.4
81.60346	0.4
84.08161	0.9
86.09728	0.6
91.05524	0.8
95.04958	0.6
97.01147	2.7
98.06076	0.6
105.00147	0.6
105.07093	0.5
111.04474	2.7
114.10338	0.9
119.04971	2.7
122.02728	8.4
123.04449	1.0
133.10156	0.6
135.04495	0.7
141.03714	3.4
147.04414	49.5
151.11195	0.6
159.04811	2.0
161.09608	17.6
161.10867	0.8
162.05548	2.3
163.03926	7.4
168.64958	0.4
170.06119	0.5
177.04312	0.4
179.10704	4.6
185.09857	0.6
189.09108	6.1
193.04967	0.6
204.10152	0.7
207.10175	3.4
217.67221	0.5
218.10249	7.7
222.11301	0.6
225.11218	5.3
232.09679	3.8
234.02141	1.1
234.09445	0.5
235.06012	100.0
243.12236	4.4
257.08575	0.6
305.09656	0.6
342.16202	0.4
346.25854	1.7
364.10382	1.0
364.13931	25.2
364.18735	4.2
379.15753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67228	1.4
51.81427	1.4
57.07083	92.8
57.49326	1.5
58.06608	2.4
67.05505	2.8
68.82693	1.7
69.07059	2.4
71.08635	66.8
73.62691	1.9
81.07035	2.4
85.10184	39.7
88.07634	3.7
89.06033	100.0
95.08601	4.4
99.11701	2.5
106.95257	1.6
107.07068	2.7
133.08601	34.9
149.38457	1.8
151.09686	4.4
165.12775	2.4
177.11208	11.2
179.18927	1.8
195.12280	67.2
271.28296	9.8
315.06598	1.8
315.30984	2.6
363.30774	72.9
374.27463	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	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60967	1.4
55.01875	5.3
55.05526	13.0
57.03448	17.4
57.07072	2.3
65.03925	1.4
67.05511	51.4
69.07078	19.5
70.20327	1.2
70.31884	1.3
79.05496	25.5
81.07061	49.2
83.04967	2.4
83.08609	7.4
91.05485	12.7
93.07043	24.3
95.08605	36.0
97.06538	10.9
97.10159	1.9
105.07043	9.6
107.08611	15.4
109.10146	13.2
117.06993	2.8
119.08588	10.1
121.10134	17.4
123.11689	3.3
129.05498	11.7
131.08577	8.9
133.10106	6.3
135.11674	7.4
139.51175	1.4
141.96886	1.4
145.10107	6.3
147.11697	2.6
149.13237	1.6
159.11697	7.3
161.13206	2.4
169.02644	2.3
173.07228	1.3
173.13196	2.0
187.14705	1.7
201.16479	2.3
205.19501	5.8
212.58571	1.5
267.25278	1.6
271.24234	6.5
363.28934	100.0
363.32687	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	363.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
55.05527	14.0
56.40565	0.8
57.03446	14.2
57.07080	2.2
57.10305	0.8
65.73158	1.0
67.05515	44.4
69.07083	20.6
75.04449	1.2
79.05505	21.7
81.07069	45.0
83.04997	1.5
83.08640	8.0
85.06525	1.2
89.06031	1.0
91.05473	8.8
93.07048	28.1
95.04941	1.9
95.08064	1.7
95.08620	35.5
97.06534	10.2
97.10176	1.1
105.07023	6.6
107.08617	14.0
109.10178	11.2
117.07047	1.7
119.08573	7.9
121.10159	16.5
123.08051	1.3
123.11686	4.6
129.05455	10.7
131.08554	6.5
133.10132	5.0
135.11719	9.0
145.10120	4.7
147.11726	2.5
149.13249	1.7
159.11690	6.0
161.13208	2.1
173.13284	2.1
189.16460	1.8
203.17897	1.5
205.19543	5.7
271.24292	7.9
311.33005	1.0
327.89307	1.1
363.28955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69847	0.6
53.80611	0.6
55.05520	4.3
57.03449	27.1
57.07077	1.2
61.02927	4.6
67.05518	6.7
69.07075	10.3
75.04487	2.8
76.12304	0.7
79.05502	1.2
81.07072	11.2
83.08617	5.9
91.05472	1.4
93.07038	2.7
95.08617	14.6
97.03471	0.7
97.10183	5.4
107.08586	2.9
109.10146	8.1
111.11722	1.1
117.05499	100.0
119.08566	3.6
121.10163	3.4
123.08018	0.9
123.11705	3.2
131.00072	1.8
133.10150	3.5
135.11723	1.7
137.13231	1.3
143.00111	0.8
143.08568	0.8
144.19862	0.9
147.11685	3.2
155.00066	1.7
155.51277	0.8
169.01553	1.7
170.99583	5.3
174.99030	5.9
182.82635	0.8
185.01039	6.5
189.00587	17.0
193.19482	0.8
203.02148	4.8
204.24440	0.8
205.05322	1.4
217.19467	2.7
227.05804	1.4
229.21619	3.1
251.05843	1.1
281.06943	4.7
299.07880	16.7
299.10968	1.3
317.09045	3.0
322.09473	8.3
327.25253	9.9
345.26352	13.2
363.21552	3.8
363.25476	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	363.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57744	0.6
51.63197	0.6
55.01857	0.9
57.03443	0.8
62.18620	0.8
66.12986	0.6
66.62929	0.7
67.05499	1.5
81.07044	4.3
84.11395	0.7
85.06475	0.7
93.07022	1.4
94.07918	0.6
95.08581	1.0
121.10167	1.2
128.18501	0.8
128.49153	0.8
212.23807	1.0
213.24113	3.0
249.05699	0.8
261.18539	7.7
298.36578	0.8
345.24216	3.2
363.20581	4.5
363.25079	100.0
363.28711	4.3
363.32791	2.9
389.13593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2145
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
54.67436	1.9
62.75293	2.3
63.62516	1.9
77.80389	2.2
81.07033	2.8
81.83428	2.2
182.04167	2.3
363.21426	100.0
363.29004	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	363.2138
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
54.25812	0.9
67.74957	1.1
73.14956	1.1
91.96896	1.3
124.72909	1.3
129.92717	1.2
139.26149	1.2
141.60251	1.6
180.06349	1.3
363.21429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2142
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
53.55723	0.4
55.05511	0.3
60.03127	0.3
66.86058	0.4
69.03431	0.4
70.81368	0.5
94.80142	0.4
105.56794	0.4
133.99281	0.4
138.97565	0.4
270.28296	0.5
276.13693	0.5
363.21414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17832	2.9
52.16087	2.4
55.53524	2.8
59.99098	4.2
62.33412	2.7
64.12922	2.8
67.92482	3.5
69.07041	3.8
81.07063	5.1
83.08614	7.4
86.06008	3.0
88.02201	25.3
88.98069	2.9
100.07612	5.9
111.05606	3.3
116.05322	100.0
118.89953	3.7
130.19710	3.3
148.02504	14.2
164.87025	3.2
166.03513	22.7
167.07036	3.4
249.46970	3.2
256.74689	3.4
327.57581	3.6
346.18774	14.6
363.21332	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	363.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75829	0.5
52.93137	0.5
57.27909	0.5
60.04532	0.8
68.91604	0.6
70.06592	3.9
72.08159	49.3
84.08146	0.8
85.31554	0.6
86.42466	0.5
89.10806	4.8
96.25272	0.5
134.23239	0.5
152.07042	2.7
153.10213	4.3
167.06999	1.3
170.02718	2.4
181.24962	0.6
215.08102	2.3
216.06592	3.6
233.09210	52.4
245.12833	0.6
247.10870	0.8
257.09158	3.6
258.07559	8.8
270.11203	1.3
274.12091	0.7
275.10291	11.3
284.49786	0.6
287.13882	4.3
328.16501	2.3
329.14948	19.6
346.17636	12.1
363.08609	2.2
363.20258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04316	0.4
64.56915	0.5
67.05501	2.5
67.31605	0.4
67.66925	0.4
71.04637	0.7
71.04996	13.1
72.02530	0.4
72.08164	4.2
81.17052	0.5
83.23443	0.5
85.06540	1.0
87.81200	0.5
95.04961	4.5
98.06091	0.6
110.62894	0.5
113.06011	25.6
115.08710	0.8
131.05008	0.5
159.04404	2.2
161.02345	6.5
163.03911	44.5
173.02342	12.6
187.03880	0.6
187.07538	2.0
189.05614	0.7
211.07683	0.6
213.05461	3.2
215.03537	2.8
215.07036	100.0
229.08586	2.8
257.08093	10.8
275.09134	57.2
346.16437	5.5
363.19147	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68651	0.6
57.03427	0.7
67.05519	5.9
71.04999	2.8
71.84870	0.5
72.08150	2.9
78.44563	0.6
92.18429	0.5
95.04973	47.3
98.06062	0.7
98.24863	0.6
108.04546	0.5
113.06012	13.5
115.08681	1.3
131.04930	4.2
131.30090	0.6
140.90919	0.6
145.02843	3.1
161.02339	1.2
162.15134	0.5
163.02495	0.9
163.03902	25.7
166.50583	0.6
171.04420	0.6
173.02359	13.3
173.06003	1.4
181.08633	2.3
185.05954	0.6
185.75932	0.7
199.70996	0.6
201.05394	2.0
211.07643	0.9
213.05396	5.0
215.07036	100.0
229.08594	18.8
229.10706	1.1
257.08075	19.6
275.09155	42.3
283.30511	0.6
346.16486	6.2
363.19153	75.2
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
54.39480	0.4
56.96825	0.4
62.40417	0.4
67.02711	0.4
70.06596	15.8
72.08125	0.9
79.05479	0.8
81.63701	0.5
85.02872	3.1
105.07035	61.0
112.07639	1.6
122.09669	14.1
128.13147	0.5
130.04955	3.4
130.08640	8.2
147.90802	0.5
151.03970	0.8
188.10767	0.5
206.11754	13.9
234.11244	100.0
242.10271	0.5
252.12225	5.2
363.19162	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1803
Annotation	Macrocalin B
Peak:m/z	Relative Intensity
51.94972	0.2
58.32700	0.2
62.45906	0.2
70.06614	0.2
81.07070	0.2
83.45997	0.2
91.05481	0.4
93.07011	0.4
100.85946	0.2
102.86142	0.2
103.05465	2.5
103.70049	0.2
105.07037	1.8
107.04934	0.2
115.05421	0.5
117.07003	0.9
121.06479	1.0
122.03655	0.2
122.09544	0.2
123.08097	0.4
131.04930	13.2
133.06485	0.2
135.08009	0.3
137.05984	20.6
138.06300	0.4
143.08548	1.1
145.06441	0.3
149.06010	0.4
149.09613	0.3
151.07559	5.1
157.10078	0.2
161.05989	0.2
162.06732	0.3
163.07536	35.5
171.08058	0.4
175.07594	1.9
177.09106	100.0
195.10187	3.6
203.10626	0.3
206.11755	0.3
209.11230	0.3
221.11729	14.0
234.11205	2.5
270.93759	0.2
296.88425	0.2
299.12799	0.4
363.11020	0.2
363.19073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38583	0.7
69.07075	1.2
72.08153	0.9
79.47024	0.8
85.02871	1.1
100.07580	1.2
112.11162	0.8
131.04866	0.9
137.05927	4.2
144.00679	1.1
162.05533	4.9
163.07510	3.0
167.07054	3.0
177.09093	8.9
178.04961	1.2
181.04843	0.8
184.06007	3.2
186.08978	1.4
225.06595	1.6
227.08154	1.7
227.11804	1.2
228.06931	1.0
229.09663	1.1
234.98912	3.2
253.09625	1.9
254.08163	3.2
255.07611	3.4
255.11281	3.9
267.58847	0.8
271.10727	9.8
281.09225	2.0
282.09442	1.5
299.10254	37.4
300.08658	14.2
301.11713	1.4
317.11328	15.5
319.14264	1.3
327.09723	9.3
328.08130	14.8
345.10745	21.6
363.11841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14481	0.3
60.48594	0.3
70.06585	0.5
72.21637	0.3
97.06528	0.4
138.05473	0.6
139.26627	0.4
141.74548	0.4
156.06573	1.5
160.03856	0.5
161.04776	0.6
162.05511	3.9
171.09132	0.4
178.04982	1.8
182.08170	0.7
184.06055	3.4
187.05017	1.0
199.08662	1.5
200.07088	0.7
225.06592	2.4
225.10165	0.9
227.08192	2.4
227.11778	1.8
228.06584	0.5
234.99030	0.7
243.07706	0.8
243.11255	0.6
244.06107	0.5
245.09132	0.9
246.07614	0.6
253.09758	4.5
254.08110	4.6
255.07574	3.5
255.11378	4.0
256.06006	0.6
256.09680	0.6
257.09122	0.8
271.10800	10.1
272.05643	0.5
272.09113	1.9
273.12421	1.8
281.09207	4.0
282.07596	1.9
299.10278	41.8
300.08658	15.0
301.11853	2.7
317.11292	12.4
327.09790	9.8
327.13379	0.8
328.05365	0.5
328.08136	15.4
345.10806	22.8
363.11871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12189	0.3
55.05518	0.3
60.04536	0.3
65.03983	0.3
67.05506	5.0
69.03426	0.3
70.06601	1.9
72.08161	2.7
80.05028	0.4
81.03438	0.4
83.04980	0.5
84.04539	0.4
85.02913	0.4
86.09696	1.6
93.03404	0.4
95.04964	2.6
95.08589	0.5
98.06088	0.4
98.25911	0.3
99.02689	1.8
99.96472	0.3
109.05247	0.3
109.10143	0.3
110.06017	0.4
110.43600	0.3
112.27014	0.3
113.82191	0.3
114.03738	0.4
116.07082	0.4
124.02205	0.7
125.00571	0.6
127.02139	0.7
136.06252	0.4
137.05986	0.5
137.88319	0.3
138.05504	64.7
142.03249	1.1
144.08046	0.4
152.01649	1.3
153.00050	1.2
153.68077	0.3
156.07690	0.3
165.09134	0.5
166.09435	0.7
167.07051	0.3
170.02701	100.0
177.05496	1.3
180.06538	0.6
188.07040	0.6
234.11154	1.4
242.04799	38.6
261.08737	0.4
345.05716	0.7
345.10394	0.6
345.17780	0.7
363.12247	2.1
363.18909	4.0
363.22617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.5
62.06089	1.8
67.04256	22.6
67.75278	0.8
68.05021	1.5
70.06577	1.4
72.08173	6.5
82.02975	1.2
84.04530	1.2
84.08157	1.3
85.02913	1.0
86.09695	2.0
89.10763	1.3
95.05063	0.9
95.06109	8.5
98.00658	1.2
98.06049	5.9
110.07278	1.1
111.05566	9.8
113.01727	13.0
125.01704	57.9
126.02462	8.7
127.03250	16.9
129.01198	3.6
132.10249	1.1
133.02855	1.1
135.04408	1.0
139.05118	2.8
141.01180	11.6
142.01942	9.5
143.02754	22.0
151.96483	1.2
153.01178	2.4
153.05540	1.2
161.02327	1.3
163.03909	22.8
165.00099	1.3
167.07050	13.5
169.06129	1.1
171.02272	3.8
186.97003	1.1
192.99561	10.3
195.06299	1.0
243.02234	1.9
246.04445	1.4
247.05379	9.4
257.03751	1.8
258.07758	1.0
259.05389	15.7
261.03238	1.2
271.07071	1.2
275.04834	29.2
285.03232	10.1
287.04855	31.4
289.02722	6.8
303.04349	73.8
304.08365	4.0
313.02505	3.2
317.05859	1.0
319.07446	21.5
331.03680	7.5
331.11380	1.4
335.06961	100.0
345.05313	1.1
363.06458	75.3
363.13580	4.2
388.85373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11446	0.5
53.46564	0.7
56.05033	2.9
57.07078	1.4
58.06615	6.6
60.04517	0.8
71.08640	0.8
72.69987	0.6
74.06071	4.0
86.06082	5.2
88.07635	17.1
89.06037	1.0
91.52211	0.7
104.07113	3.7
132.10207	4.5
147.12003	0.8
162.11320	1.7
166.10762	3.7
210.88724	0.6
270.27917	43.0
282.27872	1.0
314.30527	14.3
344.31686	3.0
362.32663	100.0
370.83047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3267
Annotation	CHEBI:131749
Peak:m/z	Relative Intensity
51.78839	0.5
53.35699	0.5
54.61126	0.5
56.05033	3.0
57.07072	3.0
58.06607	6.5
60.04517	0.8
65.35783	0.4
70.06562	0.8
71.08627	1.0
74.06074	3.8
86.06067	6.3
87.04489	0.7
88.07638	17.8
89.06035	0.6
100.07625	0.9
104.07117	5.0
118.08680	1.1
132.10214	6.8
162.11252	2.8
166.10706	4.3
171.68077	0.6
270.27914	45.3
282.28027	0.9
314.30527	15.0
344.31589	2.1
355.74179	0.6
362.32645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47836	0.3
57.07070	2.3
59.77817	0.3
63.39590	0.3
68.40220	0.3
70.06590	7.9
71.08611	1.9
72.08147	1.2
82.34547	0.3
84.08138	0.8
86.09686	1.8
87.84079	0.3
88.07635	5.3
98.92300	0.4
102.09206	3.3
106.75535	0.4
114.09183	0.5
132.10214	10.7
146.11763	9.8
212.23686	1.9
238.25273	1.7
243.51360	0.3
256.26346	18.6
300.28961	59.7
344.31564	0.8
362.32648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01635	0.4
57.07064	2.6
58.06595	0.5
62.01814	0.4
64.50194	0.4
65.55727	0.4
66.25945	0.4
70.06595	10.5
71.08617	0.8
72.08150	1.7
84.08130	2.1
86.09692	2.4
88.07630	6.3
89.06045	0.5
90.17478	0.4
102.09174	3.5
132.10214	9.6
146.11734	11.8
161.17567	0.5
166.01955	0.4
167.48045	0.4
212.23759	2.6
238.25249	1.0
240.68808	0.6
256.26321	20.5
257.18399	0.5
300.28958	59.1
344.31586	0.7
362.32632	100.0
370.60062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	3.3
57.07071	1.9
58.06611	6.6
60.04517	0.9
63.08533	0.6
67.92291	0.7
71.46441	0.7
74.06057	3.1
86.06083	6.0
88.07637	17.7
100.07614	1.5
104.07100	4.4
120.13262	0.8
132.10194	6.7
141.08740	0.7
157.73929	0.8
162.11217	1.7
166.10722	4.8
234.75832	0.7
240.74014	0.7
256.26147	0.8
270.27933	46.0
282.27988	1.3
314.30493	16.7
344.31750	1.4
362.32660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	7.0
56.94574	1.2
67.05518	46.1
69.07066	3.2
71.05000	100.0
71.08632	10.0
79.05506	6.9
81.07072	48.7
83.04986	1.6
83.08616	9.5
85.92039	1.1
91.05493	3.1
93.07039	8.1
95.08617	12.3
97.10180	24.2
99.08100	8.1
101.06051	1.6
105.07053	2.0
107.08585	8.0
109.10172	50.0
111.08086	2.1
119.08585	6.5
121.10162	2.4
123.11719	15.4
125.09653	21.7
133.10136	1.9
135.11681	2.4
137.09660	1.9
145.10287	1.4
147.11760	1.6
149.13284	2.6
151.11243	5.9
155.10683	30.4
155.14319	87.9
159.11765	2.3
161.13257	3.1
163.11208	2.7
170.53214	1.5
171.10057	1.7
173.11746	67.0
173.13226	3.0
179.14409	1.7
189.11255	7.0
190.14406	3.3
227.16435	18.9
237.26421	1.4
277.21686	18.7
295.22742	13.8
298.35965	1.4
325.94638	1.7
366.17642	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	362.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21978	2.3
55.05513	6.4
62.41682	2.4
63.34753	2.4
67.05229	2.7
67.05517	41.5
69.07067	4.7
70.41244	2.6
71.05013	4.3
71.08633	10.5
75.19788	2.8
79.05503	11.0
81.07055	20.5
83.08624	22.0
91.05492	2.9
93.07039	16.8
95.08602	16.6
97.10148	19.3
99.08075	9.7
105.06998	3.8
107.08585	17.5
109.10165	100.0
109.54144	2.5
111.08058	4.3
119.08565	16.1
121.10130	11.1
125.09628	26.2
131.08527	2.9
133.10129	3.3
135.11707	6.0
137.09576	3.9
138.61038	3.0
139.11163	5.0
147.11771	3.3
149.13237	11.5
151.11214	4.3
153.09109	4.1
155.10660	51.7
173.11723	65.9
187.13283	89.9
195.13751	3.5
203.12811	14.7
204.15256	2.5
227.16501	5.3
277.21622	27.1
291.23080	5.1
295.22537	3.1
309.24207	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.254
Annotation	Broussonetine F
Peak:m/z	Relative Intensity
50.62493	0.6
51.67689	0.6
54.60150	0.6
55.01870	1.3
56.05035	1.4
60.04536	85.0
66.35655	0.7
67.05511	2.9
69.07074	7.6
71.04979	1.0
72.04505	0.9
72.08146	1.7
73.08472	0.6
74.06071	1.4
75.93697	0.6
79.05486	4.7
80.05013	1.5
81.03408	3.1
81.07066	10.0
83.04984	1.7
84.08127	2.7
85.06528	1.3
91.05464	1.2
93.07055	6.3
94.71839	0.6
95.04955	1.6
95.08615	5.5
97.06531	4.2
99.08083	4.0
102.05554	2.7
105.07034	3.1
107.04945	1.1
107.08607	6.6
109.06550	0.7
109.10149	1.7
111.08066	3.2
117.07001	1.8
119.08581	5.8
121.06469	1.4
121.10146	3.0
123.08078	1.1
125.09643	7.0
129.06929	0.8
131.04938	6.1
131.05814	0.7
131.08554	4.0
132.05246	4.7
133.10159	4.9
135.08072	1.4
135.11697	2.8
137.08591	0.6
137.09604	5.4
138.09184	1.2
142.08606	1.6
143.08565	0.7
145.10078	1.2
146.09814	0.7
147.11693	1.1
148.11282	0.9
149.09595	1.0
151.11147	0.8
153.09052	0.9
153.10205	1.3
155.10568	1.3
156.10191	0.9
157.10173	0.8
157.15668	0.7
159.11736	1.3
161.09564	1.7
161.13232	0.7
170.09653	0.7
171.11583	0.8
173.13171	1.7
175.11174	0.8
183.80252	0.8
185.13281	0.8
186.93759	0.9
203.12648	0.8
208.13351	3.8
249.18510	3.2
260.20068	0.9
267.19705	1.7
278.21115	0.8
282.20834	0.9
290.21069	3.5
308.22159	11.7
326.23294	16.8
344.24326	74.0
362.18832	5.5
362.25363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.5
60.04535	88.8
66.34616	1.2
67.05489	1.6
69.07059	8.1
70.06590	1.7
72.08142	1.5
79.05476	6.2
80.05000	2.2
81.03413	1.9
81.07059	10.2
84.08184	1.5
85.42450	1.4
86.09672	1.4
91.05443	1.9
93.07022	9.2
95.08591	8.0
97.06522	3.3
99.08097	1.9
105.07012	5.5
107.04921	2.1
107.08587	6.9
109.06506	1.6
109.10165	2.0
111.08061	2.2
119.08537	6.3
121.10133	2.5
125.09618	6.6
131.04945	12.2
131.08542	2.2
132.05266	7.5
133.10123	1.9
135.08066	3.2
135.11630	2.5
137.05988	10.7
137.09618	4.9
138.09158	2.1
142.08604	2.8
143.08493	1.8
145.10031	2.4
151.03873	3.0
151.11171	2.1
157.10072	1.5
160.09732	1.6
161.06003	1.6
161.09680	1.9
163.03864	2.1
163.07510	5.6
167.06993	3.2
168.07344	2.8
173.13322	2.0
176.42633	1.5
177.09074	5.4
181.08665	1.8
182.08948	1.8
189.09151	2.4
190.09477	1.7
199.14642	1.6
203.12411	1.9
207.10233	1.6
208.10915	2.6
208.13295	7.2
249.18370	1.7
267.19574	2.0
273.18454	1.4
290.21109	2.7
308.22116	11.3
326.23145	16.1
344.20029	1.9
344.24338	84.0
362.19101	6.6
362.25345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55264	0.7
53.76049	0.5
55.05523	1.2
57.07084	6.3
60.34673	0.6
62.99089	7.3
64.42300	0.6
64.61187	0.8
67.05474	1.0
69.03416	0.6
69.07076	38.3
70.06600	5.3
73.01128	0.7
82.81388	0.6
83.08634	1.5
87.02704	0.9
93.07047	1.1
105.00118	0.7
105.03683	0.8
109.10149	0.8
111.11728	6.5
129.12746	4.1
129.88287	0.6
130.08636	13.3
132.95821	1.4
152.39583	0.7
161.09955	100.0
163.03941	1.4
174.96890	5.4
209.50864	0.8
233.12056	37.5
260.96939	1.2
360.37015	0.7
362.20001	33.7
362.26907	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.146
Annotation	Leptoclinidamine B
Peak:m/z	Relative Intensity
60.59412	0.3
66.57968	0.4
72.08156	1.6
85.02912	0.7
85.07648	1.5
86.09691	0.7
87.04478	0.5
128.07045	0.6
135.06760	0.4
140.50000	0.4
215.08218	0.8
231.01744	0.4
241.09714	10.1
243.07640	27.4
256.10754	1.8
260.10379	4.9
267.07642	19.5
268.07285	0.7
278.71512	0.5
281.10355	8.4
283.11945	1.6
284.10318	0.7
285.09726	13.6
302.12506	0.8
303.09753	57.3
309.09845	7.5
316.12192	0.6
320.12408	11.8
327.10870	5.2
328.09305	0.9
345.11923	17.5
362.14560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76132	0.5
55.05522	0.5
64.51982	0.5
67.05509	1.0
71.08617	0.7
81.07030	1.4
83.08614	0.8
92.17681	0.5
93.07021	0.7
95.08608	1.2
107.08643	0.6
111.22054	0.5
125.09663	1.2
126.09904	0.6
164.11610	0.6
191.96404	0.7
218.26427	0.6
218.57018	0.7
294.21561	2.2
326.24097	5.7
361.23495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59258	0.5
61.02930	3.0
64.21053	0.6
68.72841	0.6
69.03426	4.4
70.06590	0.9
71.04996	1.0
72.08165	1.6
73.02892	0.9
81.03428	1.1
84.04505	0.8
84.05638	1.1
85.02911	26.0
86.09686	0.8
87.04474	0.8
91.03942	0.7
91.05470	6.2
96.04484	1.3
97.02897	7.5
99.04474	1.4
103.05467	3.0
109.02869	1.4
119.04943	100.0
123.04446	1.4
127.03941	4.9
130.04962	0.7
137.05983	82.7
145.04962	8.5
147.04407	11.4
156.07793	0.8
159.95047	0.6
163.06068	0.9
165.05470	18.2
180.08675	1.4
182.09070	0.7
183.06528	35.4
200.09171	2.6
243.07600	1.4
249.07642	1.0
253.08665	1.0
259.05325	1.4
270.11453	0.9
303.09821	3.9
316.08292	0.7
316.11813	3.0
316.16635	1.2
317.11395	0.7
320.12195	0.7
344.12424	1.2
345.11826	1.1
362.14197	10.0
362.20990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13393	0.3
69.40385	0.3
72.78016	0.4
85.36573	0.4
157.19322	0.3
159.05977	0.3
169.55887	0.4
186.09291	0.3
354.38763	0.4
361.23492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67413	0.5
52.70598	0.5
54.92511	0.6
55.05508	1.5
56.05029	0.7
58.64228	0.8
63.03650	0.6
64.17074	0.6
72.08155	2.8
79.89791	0.6
81.07072	12.9
82.06581	3.4
83.08622	15.2
84.08177	0.7
85.08442	0.7
86.09694	0.9
98.09702	21.1
108.08112	2.8
109.06541	3.1
114.09138	0.8
126.09161	93.9
127.07565	1.5
142.65227	0.7
144.10207	70.8
145.94206	0.7
154.08636	1.6
161.02374	0.6
172.09702	29.8
190.10759	31.5
190.12456	1.2
234.14813	0.9
251.17575	3.1
252.15973	1.2
269.18610	5.1
270.17010	0.8
297.18137	4.4
315.19174	25.7
361.19705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.165
Annotation	(-)-Lariciresinol
Peak:m/z	Relative Intensity
51.92411	1.6
53.03959	1.4
55.05522	2.7
55.24035	1.5
55.96561	1.6
56.96567	1.8
61.02923	2.0
69.03423	4.2
70.06593	7.6
72.08162	37.4
78.86407	1.7
79.05502	7.4
81.03419	11.0
81.07037	2.9
84.04481	1.7
84.08140	12.7
84.96048	4.2
85.02905	11.4
86.09713	19.0
87.10043	6.7
91.05479	9.8
93.07063	14.1
95.04975	3.9
97.02931	1.9
98.97572	2.3
99.04463	3.6
103.05497	3.4
105.07040	7.8
107.04956	28.9
107.08585	1.9
109.02904	3.4
109.06488	2.2
111.04432	1.9
115.08708	2.0
117.07002	2.8
119.04974	6.6
121.06483	21.6
123.04417	4.4
124.05292	2.2
125.06010	7.7
127.03918	16.9
128.06245	2.4
129.07027	18.9
129.10263	10.6
129.67378	1.6
130.05008	2.2
130.11566	1.8
131.04958	7.5
131.08580	12.4
132.95853	2.4
133.06506	3.9
135.04419	3.5
135.08064	8.4
137.05989	19.2
144.95821	2.0
145.06555	3.8
147.04375	2.9
147.08043	3.2
148.05232	2.0
149.06017	9.3
149.09772	1.8
151.03925	2.8
151.07565	23.0
152.04660	1.9
152.87689	1.6
153.05486	13.9
157.06499	24.4
161.05975	39.2
161.09628	16.7
163.03902	9.8
163.07565	21.3
164.04233	8.7
165.05499	2.3
165.06918	2.3
165.09117	10.9
166.06262	11.2
167.07043	67.5
167.08379	2.6
174.06790	10.5
174.96863	3.5
175.07556	9.3
177.05516	2.5
177.09142	8.7
179.07042	3.8
181.05106	3.1
181.06976	3.3
181.08597	100.0
182.05298	2.5
189.09113	79.6
191.07047	2.0
191.08632	3.6
191.10556	1.6
195.08046	16.0
197.02641	2.3
197.09613	9.9
199.07547	2.0
200.18333	2.3
207.03325	7.8
207.10225	23.6
209.09639	2.4
211.07394	2.6
213.09142	7.2
219.08214	2.2
221.06047	4.0
223.07518	12.2
223.11172	4.2
224.08403	2.7
225.04349	6.8
225.09079	14.4
228.17862	3.3
236.08377	3.5
237.00781	8.0
237.09140	2.1
240.07854	7.0
241.01631	3.9
241.08672	7.6
242.09581	1.7
251.07082	3.9
251.10713	8.6
253.08623	11.1
254.09364	2.7
255.01750	15.5
255.10222	8.2
257.11685	18.4
265.08603	2.0
267.10107	2.4
270.08981	6.4
279.01566	2.6
279.10287	8.4
283.09717	18.6
283.13348	8.8
285.11240	30.1
297.02893	3.5
297.11365	3.4
299.09259	2.7
299.12613	2.2
301.14209	1.9
302.11465	7.2
305.14090	2.2
311.12912	9.6
315.03931	12.3
315.12308	17.6
317.13864	41.9
329.13916	7.2
331.15286	12.3
343.15390	34.2
356.81567	1.7
361.05911	4.0
361.16577	90.0
361.21194	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	361.1648
Annotation	(-)-Lariciresinol
Peak:m/z	Relative Intensity
52.66910	0.9
53.80807	1.0
55.01867	1.2
59.53430	0.9
69.03419	0.9
70.06591	4.3
72.08162	2.5
73.34993	1.0
76.10777	1.1
79.05508	7.5
81.48723	1.0
85.02898	4.2
86.09715	1.3
91.05476	13.6
92.17836	1.2
93.07054	14.2
95.04953	6.1
99.04506	0.9
103.05464	8.6
105.07034	10.5
107.04970	32.7
107.08618	1.1
109.06552	2.1
111.04452	1.7
111.08074	1.1
115.05418	1.2
117.07022	7.1
118.08630	1.6
119.04934	6.3
119.08579	4.5
121.06508	23.7
122.03675	1.1
123.04433	4.3
124.05196	5.0
125.06029	3.9
127.83308	1.1
128.06187	2.1
129.07021	28.2
130.08649	1.9
131.04936	19.6
131.08578	10.8
133.06465	5.9
135.04459	3.8
135.08047	8.0
137.05991	61.7
138.06740	1.7
139.07567	1.3
140.04764	1.2
145.06523	8.1
146.07239	1.9
147.04419	2.3
147.08020	2.1
148.05209	5.4
149.06000	7.7
151.03947	5.0
151.07550	22.8
152.04648	1.2
153.05505	12.9
157.06480	29.9
158.07272	2.0
159.08049	4.2
161.05988	45.4
161.09575	12.4
163.07544	76.7
164.04614	1.1
165.05562	1.3
165.07021	3.8
165.09108	12.1
165.40602	1.2
166.06253	11.6
167.07043	79.3
168.70818	1.0
168.88338	1.1
171.08025	1.5
173.06009	1.3
174.06700	13.7
175.07547	20.2
177.05429	1.7
177.09108	10.3
179.07072	5.8
179.08516	1.6
179.10774	1.1
180.07863	1.6
181.05080	3.4
181.08600	100.0
181.62988	1.0
182.07259	4.1
187.07623	1.6
189.09114	79.1
190.07719	1.3
191.07057	1.3
191.08594	4.1
191.10625	1.6
193.06645	2.0
193.08569	1.6
194.07309	1.4
195.08002	11.9
197.09576	11.5
199.07678	1.2
203.10686	1.4
205.10208	1.1
207.06554	1.2
207.08229	1.7
207.10127	21.9
208.08765	1.4
209.09659	1.4
210.06757	2.0
211.07645	4.0
211.11220	1.7
212.08362	1.7
219.08124	6.6
219.10138	1.3
221.05925	7.2
222.06866	1.7
223.07605	10.2
223.11206	6.1
223.14603	1.1
224.08466	1.3
225.09087	20.7
227.07059	2.0
227.10600	2.5
229.12251	1.9
233.09550	1.3
235.07556	1.1
236.08429	1.6
237.09232	5.5
239.10715	1.7
240.07762	1.7
241.08650	1.7
242.09450	1.8
247.07498	4.1
251.07025	7.7
251.10748	5.1
253.08604	12.7
254.09438	1.3
255.06566	2.3
255.10219	6.0
257.11688	17.1
261.09241	1.3
265.08643	6.1
267.10141	2.4
268.07312	1.7
269.08002	2.4
270.08871	6.0
271.09793	1.0
271.13193	2.2
279.10297	6.3
281.08228	2.1
281.11835	1.4
283.09708	17.3
283.13287	9.4
285.11234	26.4
286.12186	1.3
296.10449	1.8
297.11359	4.2
299.09131	4.4
299.12796	4.5
302.11508	6.4
305.13974	3.7
311.12814	9.2
313.14407	10.5
315.12228	15.9
317.13858	36.8
325.14377	1.2
329.10236	1.3
329.13821	2.5
331.15384	12.6
333.13416	1.2
343.15460	24.7
361.16525	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	361.1654
Annotation	(-)-Lariciresinol
Peak:m/z	Relative Intensity
51.21944	6.5
58.17954	8.7
61.06361	7.6
63.10060	6.9
63.38679	6.9
63.67381	8.7
65.24532	6.9
67.67190	6.9
71.20484	8.9
73.92947	8.0
78.47187	7.4
78.52256	7.6
93.07069	18.1
96.91974	7.2
107.04952	30.1
117.68044	7.7
121.06501	39.7
129.07028	11.5
135.08090	12.0
149.05965	11.7
151.03922	10.6
151.07524	17.7
157.06506	14.6
160.07581	11.7
161.05988	47.0
163.07573	18.4
165.09119	8.1
166.06255	16.9
167.07031	100.0
174.06735	14.9
181.08623	84.4
186.09161	39.1
189.09132	76.4
195.08151	11.4
207.10248	10.2
218.14215	10.2
223.11311	12.6
225.09233	14.1
253.08549	12.9
257.11746	12.7
262.07693	43.1
267.20139	10.8
283.13437	9.2
285.11279	43.8
315.12491	15.6
317.13959	55.7
343.15442	45.6
361.12192	36.6
361.16541	75.3
361.21262	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	361.1646
Annotation	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
Peak:m/z	Relative Intensity
55.39383	0.6
59.03139	0.6
61.99882	0.7
65.06286	0.7
67.05500	0.8
74.59205	0.8
79.05503	1.0
83.04935	0.8
83.31561	0.6
84.81393	0.7
84.91866	0.5
91.05451	1.6
92.17857	1.2
93.07031	3.6
95.04974	1.6
99.68877	0.8
103.05457	1.2
103.10117	0.7
105.07051	3.6
107.04957	9.7
108.02080	1.0
117.07006	0.7
119.04922	1.3
121.06522	5.8
123.04433	3.3
129.06998	6.0
131.04951	1.4
131.08557	5.8
133.06505	3.0
135.08092	1.3
137.05984	4.1
141.05472	1.6
141.94785	0.7
145.06488	0.9
148.05220	1.1
149.05986	3.0
149.09428	0.6
151.03911	100.0
151.04985	6.1
151.07471	7.1
153.05476	1.5
157.06503	6.7
161.05952	15.7
161.09586	6.2
163.03937	0.9
163.07541	5.7
165.09123	2.5
165.66803	0.7
166.06235	3.5
167.07036	83.3
174.06841	5.5
175.07480	1.5
177.05513	0.7
177.09128	1.0
179.07108	0.8
179.08589	1.0
181.06947	1.2
181.08592	29.6
187.07553	0.8
189.09099	22.4
189.21564	0.6
193.08606	4.9
195.08076	2.9
197.09647	4.3
207.06479	4.9
207.08475	1.1
207.10152	9.1
210.06833	0.8
211.07719	0.8
211.09612	1.2
214.02841	0.8
219.08046	1.3
223.07581	2.6
223.11208	1.1
225.09224	5.0
235.07585	0.8
236.81203	0.8
239.10612	1.1
251.07076	1.0
251.10767	1.5
253.08621	3.7
255.10251	3.2
257.11700	4.0
259.14529	1.5
265.08585	0.8
270.08826	1.0
279.10184	1.0
283.09726	3.1
283.13428	2.8
285.08435	0.9
285.11258	7.0
296.10419	0.8
311.12775	3.0
315.12314	4.4
317.13779	9.7
331.15439	2.7
343.15411	7.4
361.16479	26.9
382.21268	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1646
Annotation	(-)-Lariciresinol
Peak:m/z	Relative Intensity
58.70927	1.4
61.76077	1.2
62.68349	1.4
70.15979	1.6
72.96820	1.3
79.05502	2.8
91.05479	10.0
93.07054	13.5
95.04974	3.1
103.05452	5.3
105.07021	7.2
107.04967	28.9
117.07011	2.3
119.04984	2.9
119.08573	2.6
121.06513	24.0
123.04449	6.1
124.05204	2.3
125.06026	2.5
128.06218	2.3
129.07013	20.3
131.04932	7.6
131.08571	9.5
133.06525	3.4
135.04437	2.2
135.08043	6.1
137.05984	18.0
138.06740	2.4
139.56154	1.5
145.06485	3.5
147.04430	3.3
147.08029	2.7
149.05974	7.3
151.03865	2.0
151.07544	20.6
152.04677	1.6
153.05458	15.6
157.06482	21.8
161.05968	23.9
161.09633	13.3
163.07545	19.0
165.09116	9.7
166.06284	11.4
166.07582	1.6
167.07034	67.3
174.06793	7.9
175.07565	5.7
177.09155	8.7
179.07048	5.9
179.08553	3.1
179.10660	1.7
181.08588	100.0
182.07350	1.9
187.07451	1.9
189.09113	78.2
191.08588	2.0
191.10635	1.9
194.07202	2.4
195.08063	10.5
197.09598	11.3
201.28621	1.6
205.10193	1.6
207.08247	4.2
207.10178	15.8
210.06763	2.9
219.08047	1.8
221.05910	1.9
222.06758	1.7
223.07520	3.3
223.11098	5.2
224.08316	1.7
225.09085	18.0
232.02545	1.7
236.08269	2.0
237.09088	3.1
238.06236	1.7
239.10675	2.3
240.07849	3.2
241.08607	2.4
242.09352	2.7
247.07533	2.3
251.07149	2.5
251.10658	8.6
253.08656	11.9
254.09158	2.0
255.10100	7.6
257.11703	18.9
267.09967	2.2
268.07242	3.1
270.08829	2.0
271.13239	1.9
279.10144	7.0
283.09659	11.8
283.13202	9.3
285.11160	25.6
296.10349	2.5
297.11255	3.2
299.09277	2.1
302.11169	3.8
311.12680	10.0
315.12241	16.0
317.13788	40.5
329.13284	7.0
331.15366	5.9
342.97763	1.5
343.15359	28.4
361.16333	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	361.1644
Annotation	(-)-Lariciresinol
Peak:m/z	Relative Intensity
51.85743	1.0
54.00118	1.0
55.01879	1.1
64.71279	1.0
67.05499	1.5
70.06591	8.1
72.08154	5.5
73.81841	1.2
79.05496	6.5
81.03413	2.2
81.07059	2.1
85.02893	2.4
85.28990	1.3
91.05486	14.9
91.16795	1.1
93.07057	11.7
95.04958	7.1
95.06094	2.0
95.08594	2.3
98.97570	2.1
100.07636	11.4
103.05470	15.1
105.07027	10.3
107.04966	47.8
107.08598	1.7
109.06500	2.4
111.04459	3.0
115.05415	1.8
117.07063	4.8
119.04932	8.4
119.08555	1.8
121.06503	16.2
123.04456	2.4
124.05194	1.7
125.06028	2.4
127.03890	2.5
128.06262	1.8
129.07014	19.1
130.08624	2.5
131.04929	14.3
131.08571	10.4
133.06485	2.4
135.04385	2.5
135.08102	10.4
137.05984	27.0
138.06821	1.3
143.08606	1.4
144.08054	1.3
145.06516	5.8
146.06059	2.2
147.04378	4.2
148.05165	1.9
149.05988	9.9
149.09546	1.6
151.03894	1.8
151.07536	23.7
153.05482	13.9
155.06989	1.8
157.06502	24.9
161.05975	56.7
161.09642	21.1
163.03909	2.3
163.07538	44.6
164.08340	1.3
165.05490	6.9
165.06868	1.8
165.09129	7.2
166.06281	9.1
166.80609	1.2
167.07053	64.6
167.08546	5.8
173.06033	1.7
174.06718	13.1
175.07544	11.7
177.05409	8.9
177.09103	7.4
179.07040	13.5
179.08505	2.3
180.07828	20.4
181.08600	100.0
182.07283	2.8
184.09055	7.5
185.09853	2.5
187.07535	1.7
188.07098	4.4
189.09119	81.8
191.06995	1.5
191.08578	2.2
191.10724	1.9
193.06587	1.7
193.08517	1.7
194.07312	1.8
195.08138	10.3
196.04752	1.2
197.09637	11.8
203.10751	1.3
207.10155	31.6
208.08813	1.7
209.06070	1.7
210.06783	1.8
211.07541	1.7
212.08255	1.4
213.09196	1.5
217.07016	2.1
217.82198	1.2
219.01793	3.0
219.08095	4.6
221.06027	2.9
223.07553	8.7
223.11198	2.2
224.08376	1.2
225.09119	17.0
227.07179	2.5
227.10672	2.3
229.88609	1.2
235.07477	1.5
236.08449	1.8
237.09164	2.6
238.06142	1.4
239.06911	1.9
239.10646	1.9
240.07735	2.7
241.08612	2.8
242.09312	2.2
247.07585	2.0
248.12576	1.1
251.07135	5.8
251.10699	6.9
253.08699	12.6
254.09401	2.3
255.06432	2.6
255.10092	9.0
257.11768	17.2
259.77414	1.5
267.10123	4.8
268.07471	1.4
269.08081	4.7
270.08926	6.5
271.13245	1.4
279.10217	2.7
283.09677	14.0
283.13348	8.7
285.11212	29.2
287.12631	1.5
290.12863	1.3
293.09039	6.8
296.10400	2.4
297.11325	4.4
299.09537	1.4
302.11603	5.8
305.13721	2.2
311.12863	8.3
313.14392	2.6
314.11807	1.7
315.12268	15.3
317.13943	42.9
329.10266	2.7
329.13907	5.7
331.15295	8.3
343.15451	22.5
361.09421	23.4
361.16656	40.2
361.20972	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	361.1647
Annotation	(-)-Lariciresinol
Peak:m/z	Relative Intensity
51.02371	0.7
65.48045	0.9
67.05505	1.1
77.03932	2.1
79.05482	6.6
86.97211	0.8
91.05487	13.2
93.07039	11.8
95.04953	8.3
98.11875	0.9
103.05480	6.8
105.07024	9.0
107.04966	35.4
110.03674	0.9
111.04453	2.1
115.05444	2.4
117.07008	4.9
119.04938	6.2
119.08558	1.7
121.06512	22.8
123.04443	4.6
123.08017	1.1
124.05180	1.9
125.05980	4.0
128.04973	1.4
128.06203	2.0
129.07008	30.4
131.04927	9.5
131.08601	12.6
133.02800	1.3
133.06491	4.9
135.04443	3.6
135.08044	6.5
137.06001	20.1
138.06760	2.4
140.04639	1.1
143.04886	1.7
144.08061	6.2
145.06473	6.5
146.07193	1.2
147.04460	2.1
147.08057	2.1
148.05212	4.1
149.06013	10.3
149.09598	1.7
150.06770	1.2
151.03870	6.9
151.07558	21.9
152.04758	1.7
153.05479	14.6
154.06435	1.3
155.07086	2.0
157.06488	27.6
157.07678	1.0
158.07274	1.3
159.08095	2.0
160.08894	1.3
161.05984	52.1
161.09586	18.3
163.03873	1.1
163.07544	24.8
165.05457	2.0
165.06917	3.3
165.09103	9.4
166.06274	11.6
167.07042	80.9
170.09619	5.8
171.07997	1.2
174.06757	15.9
175.07544	9.1
177.05467	1.1
177.09142	9.1
179.07033	5.3
179.08554	4.5
180.07843	2.0
181.08604	100.0
182.07239	5.1
187.07523	2.0
189.09114	77.4
191.07018	1.7
191.08662	1.7
191.10590	3.3
193.06584	1.9
193.08565	1.2
194.07233	2.1
195.08102	13.5
197.09619	12.7
203.10646	2.1
207.08170	2.5
207.10158	23.4
208.08800	4.3
209.05881	1.6
209.09677	2.1
210.06787	6.3
211.07565	2.3
212.08273	1.6
219.08055	6.3
221.05991	2.3
221.09596	1.2
222.06824	1.5
223.07541	9.5
223.11113	6.7
224.08443	3.7
225.09099	20.1
227.07100	2.0
227.10712	1.8
229.12309	1.4
233.09669	1.5
235.07520	2.0
236.08342	5.1
237.09157	4.9
239.07043	4.5
239.10654	5.3
240.07845	5.4
241.08540	2.4
242.09399	1.8
247.07535	3.8
249.09061	1.3
251.07021	7.1
251.10677	7.7
253.08536	14.8
254.09367	1.6
255.06512	5.2
255.10168	11.2
257.11716	18.4
265.08472	2.2
267.10266	3.8
268.07401	3.8
268.10812	1.6
269.08099	1.7
269.11728	1.5
270.08771	7.4
271.09756	1.3
271.13272	1.7
279.10159	5.3
282.08932	1.6
283.09698	16.3
283.13275	11.7
285.08008	1.6
285.11218	29.7
296.10385	1.9
297.11188	5.2
299.09167	4.0
299.12842	3.8
300.09918	1.3
302.11456	7.4
305.13937	2.0
311.12869	8.4
314.11377	1.6
315.12344	18.7
317.13840	36.7
328.13269	1.8
329.13605	3.4
331.15399	6.1
343.15390	24.8
361.16461	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1647
Annotation	(-)-Lariciresinol
Peak:m/z	Relative Intensity
60.26960	2.1
72.08141	2.1
79.05492	8.4
85.02901	2.4
91.05489	12.9
93.07034	12.6
95.04953	8.3
95.08623	3.7
103.05490	4.9
105.07001	8.8
107.04965	30.2
107.08582	2.8
109.06525	2.6
111.08032	2.3
116.83884	1.8
119.08589	4.0
121.06509	27.0
123.04440	4.6
124.05239	2.5
125.05997	3.8
128.06160	3.7
129.07014	24.3
131.04955	8.3
131.08575	12.4
133.06509	4.3
133.10103	2.5
135.04428	2.4
135.08034	4.2
137.06001	18.4
143.08559	2.1
145.06500	4.4
147.04410	3.0
147.08018	2.4
149.05991	4.9
151.07527	20.3
152.80133	2.1
153.05441	9.6
157.06465	20.2
161.05969	34.1
161.09628	13.1
163.03807	2.8
163.07539	24.6
165.09061	8.2
166.06248	12.3
166.65536	2.1
167.07039	68.2
167.08450	4.4
174.06786	13.9
175.07544	11.6
177.05537	3.6
177.09096	12.1
179.07050	2.3
181.05051	2.5
181.08595	100.0
189.09096	75.8
193.06310	2.0
194.07321	2.3
195.08057	5.2
197.09604	9.6
206.75189	2.5
207.06390	3.1
207.08356	2.6
207.10123	18.2
210.06807	3.6
211.11028	3.0
219.08089	4.1
221.05858	3.7
223.07562	12.9
223.11171	2.7
225.09079	17.4
227.07222	3.2
236.08459	2.4
240.07899	2.2
241.08684	3.1
242.09419	4.1
251.07082	4.6
251.10693	8.3
251.14297	8.1
253.08578	9.4
254.09421	2.3
255.10229	4.6
257.11768	22.1
270.08829	3.0
277.99429	2.2
279.10263	2.8
283.09698	16.5
283.13092	4.3
285.11261	26.0
299.09082	4.1
299.12845	2.7
302.11469	2.4
311.12848	8.5
315.12314	14.3
317.13828	31.1
319.11420	2.2
329.13861	3.4
331.15335	2.7
331.41855	2.1
343.15280	31.6
361.16492	70.5
361.23926	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	361.1645
Annotation	Lariciresinol
Peak:m/z	Relative Intensity
55.05524	3.3
57.03450	4.9
67.05512	3.5
68.67706	2.0
68.70236	2.2
69.03462	2.5
69.07068	3.2
71.04988	2.1
72.08130	3.8
79.05488	4.9
81.07063	10.1
82.91447	2.2
86.09705	2.9
91.05482	12.9
93.07056	18.5
95.04955	8.6
95.08609	9.3
97.06538	9.5
103.05485	4.3
105.07051	22.8
107.04967	31.1
107.08591	4.1
109.06564	3.3
109.10137	8.1
111.04483	2.4
111.08099	19.7
117.05479	18.6
117.06998	3.0
119.04993	4.2
119.08585	8.8
121.06510	23.4
123.04386	3.7
128.06189	2.9
129.07025	23.2
131.04933	11.0
131.08577	14.9
133.06511	3.5
135.08034	3.9
137.06001	20.3
144.08034	2.8
145.06500	4.2
145.10138	12.7
146.07188	2.8
147.04324	2.3
148.05215	3.2
149.06007	9.2
149.09554	2.3
151.07532	22.5
152.04645	2.5
153.05461	19.5
157.06516	20.1
157.10173	2.9
159.25558	2.2
160.07605	4.3
161.05994	29.4
161.09636	9.9
163.04007	8.1
163.07581	29.8
165.06955	2.7
165.09146	10.6
166.06277	8.9
167.07048	74.2
167.08430	2.9
169.10136	2.3
171.13904	2.4
174.06786	10.6
175.07552	12.8
177.09132	9.8
179.08675	2.2
180.07724	2.5
181.08612	100.0
182.07347	2.9
186.09169	14.5
189.09125	66.9
195.08101	8.6
197.09622	11.1
197.13361	2.9
207.10214	13.9
212.08687	3.3
215.07043	9.8
215.14391	4.7
223.07503	8.9
223.11266	4.0
225.09015	21.1
232.12059	2.6
236.08441	3.1
240.08073	2.8
251.07002	4.0
251.10715	5.2
253.08629	16.1
255.10150	5.2
257.11801	22.0
259.09659	5.5
278.68243	2.3
279.10129	5.0
281.08075	3.7
283.09726	12.9
283.13416	4.4
285.08307	2.8
285.11246	28.7
297.11264	2.9
302.11676	4.0
311.12848	10.7
315.12375	12.2
317.13843	36.1
329.13852	3.8
331.15393	4.9
343.15417	32.5
361.12531	3.7
361.16431	47.9
361.21237	52.8
361.25284	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1647
Annotation	(-)-Lariciresinol
Peak:m/z	Relative Intensity
55.05513	2.0
55.64782	2.1
57.09739	1.9
70.19572	2.0
70.85569	1.9
72.08150	2.3
78.45322	2.1
79.05490	8.6
91.05499	16.0
93.07064	14.8
95.04948	3.6
103.05481	11.2
105.07034	5.1
107.04980	43.1
109.06535	2.3
117.07084	2.6
119.04971	3.3
119.08548	3.5
121.06530	27.4
124.05190	2.8
129.07014	26.1
131.04910	11.9
131.08582	18.0
133.06526	4.2
135.08038	9.3
137.05986	20.2
140.04764	2.1
145.06474	4.6
147.04437	3.4
147.08084	3.2
148.05199	2.9
149.05989	7.8
149.09535	2.2
151.07535	23.7
153.05476	17.1
157.06528	23.3
159.08069	2.3
161.05966	39.9
161.09587	15.6
163.07556	26.8
165.06935	3.5
165.09126	13.7
166.06288	14.1
167.07045	87.0
167.08401	4.3
174.06778	12.2
175.07559	8.1
177.09103	11.3
179.07124	5.1
179.08517	3.4
181.05008	12.0
181.06956	3.6
181.08600	100.0
182.07245	3.3
189.09114	91.8
191.08554	2.8
191.10626	2.3
193.06485	3.0
195.08113	12.9
197.09608	15.6
207.06569	9.2
207.10182	24.4
208.08864	2.5
209.09554	2.5
223.07549	11.4
223.11263	4.4
224.08395	2.8
225.09189	18.8
229.12234	2.8
237.09103	5.0
239.06989	2.8
239.10786	2.4
240.07683	4.4
242.09402	4.8
247.07513	2.5
251.07047	3.5
251.10648	10.9
253.08505	19.1
255.06674	2.4
255.10172	8.4
257.11774	22.6
267.10486	2.2
268.07281	3.2
270.08838	3.8
279.10110	2.3
281.08328	2.4
283.09671	17.7
283.13306	9.8
285.11206	36.1
296.10361	5.2
299.09344	2.9
299.12729	4.5
302.11441	2.3
311.12778	11.7
315.12277	20.4
317.13846	43.6
328.12796	3.2
329.13910	2.9
331.15421	9.5
343.15457	35.6
361.12057	3.7
361.16467	65.3
361.20798	4.4
361.27155	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	361.1648
Annotation	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
Peak:m/z	Relative Intensity
51.17961	1.5
53.11300	1.8
63.06612	2.3
79.05507	4.5
79.71527	2.1
91.05505	12.5
91.98984	2.1
93.07071	13.5
93.57786	2.2
95.04968	3.4
103.05489	2.8
105.07052	8.3
107.04957	38.7
108.41177	1.8
111.04434	2.2
117.07008	4.8
119.04974	3.4
119.08543	2.5
121.06520	20.8
123.04460	4.4
123.20385	2.3
124.05273	2.5
128.06302	2.2
129.07019	18.0
131.04942	4.8
131.08585	13.4
133.06438	3.1
135.08109	4.2
137.06003	17.7
138.06870	2.1
140.49147	2.2
145.06523	4.1
146.07352	3.5
148.05193	2.9
149.05980	9.1
151.07523	22.4
153.05501	15.9
157.06458	22.8
159.08157	2.9
161.05975	53.8
161.09618	20.7
163.07523	28.7
163.08551	1.8
165.09132	10.6
166.06274	12.1
167.07050	70.6
167.08401	5.1
174.06784	10.5
175.07532	8.3
177.09131	11.2
179.07089	3.6
181.05049	3.4
181.06934	4.1
181.08583	100.0
181.10072	4.1
181.75307	2.2
189.09108	82.0
193.06479	3.9
195.08087	9.9
196.08759	2.3
197.09673	11.9
207.08261	3.6
207.10194	28.1
208.08992	2.2
210.06836	2.8
219.08092	5.2
221.05951	3.1
223.07622	10.9
223.11192	5.0
224.08180	2.5
225.09082	17.8
227.10970	2.4
235.07539	2.2
237.09143	2.8
240.07858	4.9
242.09483	4.5
247.07666	3.2
251.06955	3.5
251.10698	4.2
253.08673	13.6
255.06630	2.7
255.10251	4.0
257.11743	16.6
268.07297	2.7
279.10330	3.3
283.09763	16.5
283.13339	11.0
285.11163	28.3
297.11243	8.2
302.11575	12.4
311.12830	9.0
315.12195	18.2
317.13843	48.7
329.13974	3.4
331.15488	5.1
343.15469	25.2
361.16522	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1542
Annotation	Leuconicine E
Peak:m/z	Relative Intensity
56.71052	0.6
60.05628	0.9
72.08156	1.7
84.05636	100.0
85.02886	1.3
101.11086	0.7
110.07156	0.9
119.07317	1.2
140.04646	1.2
156.07693	1.0
178.87369	0.8
180.10150	1.5
184.07152	1.3
222.12373	12.5
240.13419	44.1
241.08665	1.5
252.10402	1.0
254.11771	2.8
269.12823	3.4
270.11346	1.0
272.10675	4.0
274.12207	7.8
296.83496	0.8
300.13803	6.1
315.13449	3.8
316.13480	7.6
338.76498	0.7
343.14090	5.9
361.15427	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25303	0.9
55.13577	0.9
56.09329	1.0
58.53473	0.9
70.06589	1.3
72.08156	4.6
84.04478	1.2
84.08154	1.7
85.02910	1.2
86.09708	2.4
92.17908	1.3
97.34012	1.1
140.88042	1.3
156.22127	1.1
158.71410	1.1
165.06920	1.5
167.08192	2.2
173.06610	2.3
179.08528	1.9
183.08095	2.6
185.06664	1.7
201.12341	1.3
207.08131	12.5
209.09616	2.3
210.09213	2.6
211.07513	6.6
219.07997	1.1
221.05986	6.2
223.07489	1.6
234.09219	1.3
234.97003	1.1
235.07532	100.0
236.10764	1.7
237.09067	14.0
238.08615	4.9
239.07039	68.2
239.09402	2.3
252.10184	95.2
253.08635	2.0
262.08655	1.6
263.07007	10.1
263.15067	1.2
267.06519	1.5
275.09436	1.5
280.09662	12.5
281.08081	50.5
282.11121	1.2
284.09238	8.8
285.07391	1.2
293.10666	2.0
297.12296	20.1
298.10739	39.9
315.13449	7.3
317.11673	6.7
326.10248	7.2
343.12888	73.8
344.11295	4.2
361.10617	18.8
361.14551	64.8
361.23608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1277
Annotation	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone
Peak:m/z	Relative Intensity
81.33379	4.1
82.27251	4.3
83.69137	3.8
91.05479	6.2
105.91032	4.8
107.04967	10.6
119.04922	9.9
147.04411	25.8
151.07541	5.3
153.05415	5.3
154.06323	9.0
161.05945	6.8
165.43700	4.9
167.07042	28.8
170.09677	6.4
175.03929	10.7
179.07021	80.8
181.04991	28.0
181.06459	5.7
181.08650	9.3
195.08070	5.5
207.06560	71.7
213.09032	6.0
223.07507	8.9
237.05295	4.2
241.08627	18.4
252.98164	4.9
269.08115	10.3
269.87430	4.4
270.08725	5.1
301.10721	10.5
329.10208	90.7
333.13373	37.7
343.08264	6.2
361.12778	100.0
361.16739	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	361.1286
Annotation	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone
Peak:m/z	Relative Intensity
51.55181	0.4
53.90737	0.4
55.01878	0.5
55.98691	0.4
68.58939	0.4
70.06590	1.9
70.29865	0.4
71.05022	0.4
72.08165	1.2
74.46931	0.4
79.05507	5.3
81.07050	2.3
83.04965	0.5
87.63125	0.4
91.05487	2.4
92.02602	0.7
93.07038	0.6
95.04943	1.1
97.06554	0.5
99.98581	0.4
103.05473	4.5
105.07040	3.0
106.04161	0.6
107.04953	5.7
107.08592	0.5
109.06524	2.4
111.04436	0.9
119.04968	0.7
120.04218	0.5
121.06513	1.9
123.04427	2.3
124.05219	0.7
125.06000	2.2
131.04935	8.4
133.06496	8.2
134.03697	0.6
135.04431	10.4
135.08075	1.2
136.05225	0.6
137.06006	4.9
144.08044	0.5
146.06029	1.0
147.04454	0.7
148.05200	5.5
149.05984	3.1
151.03885	6.0
152.06194	0.6
153.05386	3.7
160.05220	0.5
161.05960	13.2
163.03902	26.8
163.07530	9.9
165.05518	8.7
165.06892	1.0
166.02600	1.0
167.07040	60.7
167.08386	2.5
173.06032	0.6
175.07588	0.8
176.04684	3.1
177.05479	9.7
177.06918	1.3
178.06161	0.5
179.07031	4.7
180.04297	0.8
180.05731	1.1
181.04956	100.0
188.07092	1.1
189.05460	6.7
189.09117	0.9
191.07062	4.1
192.04161	0.6
192.07721	0.8
193.06842	0.7
193.08623	15.5
194.07339	2.0
195.08029	7.2
196.04974	0.6
197.06003	1.8
197.09668	0.6
198.06572	0.5
205.06516	0.8
207.06511	16.4
208.05237	3.3
209.06059	0.5
210.06702	0.7
211.07523	4.4
212.08324	2.3
221.05984	1.1
222.06805	4.3
223.07523	7.8
224.08286	0.9
225.05479	5.4
225.09059	2.3
226.06308	0.7
226.09872	3.4
227.10709	0.9
229.08504	0.6
236.04613	4.6
236.08153	0.6
237.05417	2.8
237.09137	1.7
239.06975	5.6
240.07805	11.7
241.08545	0.7
250.06317	2.6
251.06996	8.8
252.07918	0.9
253.04958	6.2
253.08617	2.4
254.09448	7.6
255.10020	4.0
257.08127	3.3
264.07855	0.5
265.08685	2.5
267.06473	5.0
268.07309	12.0
269.08090	3.2
272.10309	0.8
279.06601	1.1
281.04639	0.6
281.08087	0.5
282.08884	9.6
283.09659	9.6
285.07602	12.1
285.10733	1.0
287.09161	1.0
296.06845	0.8
297.11157	7.5
300.06491	1.8
300.09879	9.0
311.09128	4.3
313.06952	0.8
315.08649	3.7
315.12079	0.5
317.14081	2.0
322.36722	0.5
325.10770	2.5
329.10248	3.5
332.08899	4.3
343.11761	90.3
361.12805	44.6
371.09723	0.6
379.13876	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50979	0.5
51.46717	0.6
53.80132	0.6
59.22225	0.5
59.93994	0.7
63.98493	0.5
73.90424	0.6
77.09978	0.6
83.60042	0.5
91.05479	1.3
93.07058	2.6
95.04945	0.7
98.73818	0.9
100.86298	0.6
103.05467	1.2
105.07067	2.0
107.04957	6.9
108.02094	0.7
112.14048	0.7
115.05389	0.7
119.04950	0.9
121.06476	4.4
123.04436	1.0
124.05151	0.6
126.63617	0.6
129.07004	3.8
131.04918	1.2
131.08568	1.4
132.29936	0.6
133.06494	2.5
135.08116	0.7
137.05974	4.3
145.06499	2.9
149.05977	1.3
151.03909	100.0
151.04973	5.6
151.07544	3.7
153.05510	1.4
157.06502	5.6
158.44266	0.6
161.05963	12.0
161.09651	3.3
163.03911	0.9
163.07507	5.1
165.09081	2.6
166.06329	1.2
167.07039	70.8
174.06764	2.9
175.07529	1.3
177.09074	1.1
179.07045	0.8
179.08521	0.7
181.05032	0.7
181.08601	19.5
189.09109	14.4
191.08620	0.6
193.08548	5.7
195.08049	1.3
197.09724	0.9
207.10164	5.2
210.06743	0.8
211.09636	0.8
219.08125	0.9
221.06059	0.9
223.07568	2.2
225.09102	4.4
242.09306	0.8
251.10677	0.8
253.08621	2.8
255.10162	0.9
257.11774	2.7
270.08795	0.8
279.10138	1.1
283.09656	3.3
283.12830	0.8
285.11057	5.0
296.10608	0.9
302.11560	1.0
311.12704	1.5
315.12207	3.6
317.13907	5.1
331.15375	1.5
343.15472	4.7
361.12149	0.7
361.16467	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	361.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31464	0.2
55.01889	0.2
57.02947	0.2
65.03952	0.3
67.05504	0.4
72.08170	0.5
73.27344	0.2
76.86365	0.3
81.03445	0.3
84.08180	0.3
94.82431	0.3
101.61031	0.3
102.90192	0.2
103.05463	0.4
105.06997	1.8
107.04961	1.4
108.02116	0.5
114.10298	0.4
116.65927	0.2
121.06506	0.5
123.04385	0.9
124.05234	0.3
126.33595	0.3
131.04883	0.4
133.06506	1.9
136.43759	0.3
141.05466	1.7
143.62547	0.3
146.94241	0.3
149.05975	1.0
151.03909	100.0
151.04979	5.8
156.31403	0.2
161.05995	3.1
163.07466	0.4
167.07036	62.3
170.09596	1.1
181.08572	0.6
181.42604	0.3
186.09145	0.5
189.07433	0.4
189.09074	0.9
193.08600	4.8
211.09666	2.7
230.07994	0.4
231.08430	1.4
254.94197	0.3
269.07224	0.3
361.16550	1.0
361.20758	3.4
361.26984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58887	0.9
51.45245	0.9
68.63338	0.9
77.02987	0.9
81.07069	1.0
82.14582	1.0
83.04980	1.3
83.07364	2.3
90.72626	0.9
107.08659	1.3
136.11206	6.5
163.69511	1.3
181.10959	6.0
186.09123	2.5
205.01987	6.7
206.02684	2.2
207.06606	2.1
212.12746	1.0
227.91055	1.3
236.75291	1.2
245.07495	4.8
261.06958	2.6
262.07706	100.0
361.12228	46.8
361.16296	2.2
361.20432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	4.1
65.37300	3.1
65.71104	2.5
66.95436	2.6
70.06600	48.7
71.06917	4.5
72.08159	56.1
73.08468	5.8
84.08141	6.2
85.02924	3.5
86.09674	3.3
91.05471	4.5
95.04993	4.0
98.06045	3.3
98.97604	3.7
107.04963	6.8
112.07542	3.6
114.10304	12.3
119.04964	3.6
125.05997	3.0
128.07115	4.7
130.08644	16.5
131.04930	13.4
132.10199	2.9
135.04414	3.9
137.05983	11.9
144.07979	3.4
146.06044	23.4
147.04402	5.2
151.07600	4.7
160.28764	2.9
161.05986	6.0
161.09692	5.0
163.03923	36.7
163.07542	4.6
163.11098	3.1
167.07005	14.2
174.07663	6.5
181.04970	12.9
181.08615	12.7
188.07034	28.5
189.09161	13.3
201.12640	4.9
202.12604	3.0
207.10338	4.8
229.11794	5.1
263.67664	3.2
293.09116	20.2
302.05447	14.8
302.15024	4.0
317.14920	14.1
333.07507	5.4
335.10187	5.0
343.11639	4.8
360.68271	21.6
361.08908	100.0
361.13800	19.5
361.18503	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52464	12.9
57.91307	15.2
67.05512	33.0
69.07069	25.0
70.70186	17.9
71.04980	100.0
72.50350	16.7
75.85421	13.4
79.05495	36.1
80.79599	15.4
81.07049	71.1
83.89336	15.1
85.02888	23.0
93.07023	63.9
95.08590	32.1
102.60140	15.0
107.08567	25.7
113.09666	21.2
121.10143	37.1
122.83699	15.3
135.11703	19.4
147.11662	20.9
155.10672	21.7
162.14381	17.6
171.64961	16.4
173.11783	68.3
177.49960	16.8
185.07120	72.9
189.98882	19.1
191.76486	20.5
213.06577	37.5
360.19901	29.2
360.25772	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	360.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
55.05523	16.8
57.07064	1.5
59.05005	2.0
61.12778	1.5
61.69094	1.5
64.98424	1.6
67.05518	50.4
69.03434	2.2
69.07080	18.7
69.19013	1.6
71.00851	1.7
71.04996	3.1
75.12225	2.0
79.05502	13.8
80.27644	1.6
81.07066	24.9
83.08627	16.1
85.02911	1.8
85.06539	2.9
91.05486	8.6
92.02612	1.7
93.07061	15.8
95.04987	2.6
95.08616	19.0
95.09135	1.9
97.06537	7.4
97.10186	30.1
99.08103	2.0
102.64509	1.7
105.07061	16.0
107.08607	48.7
109.06514	2.2
109.10169	100.0
111.08088	3.2
117.07030	2.7
119.08589	15.0
121.10162	10.8
123.11667	1.9
125.09654	38.1
131.08585	3.2
133.10150	9.2
135.08105	3.0
135.11685	2.9
137.09642	8.2
145.10149	4.2
147.11676	12.1
149.09612	3.7
149.13252	3.8
153.09108	2.7
155.10672	48.9
159.11723	4.1
163.11203	3.2
173.11743	68.4
173.13148	3.6
177.12752	2.1
181.34991	1.8
186.38751	2.0
187.13301	99.5
195.13873	2.2
203.12799	30.2
227.16377	4.0
239.17831	4.3
257.19031	9.0
259.09607	2.2
269.68588	1.9
275.20062	33.6
289.21683	16.8
293.21158	3.1
307.22635	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.6
55.87933	1.7
67.05504	7.9
69.03416	2.0
69.07063	2.3
71.08639	9.6
79.05514	1.9
81.03427	3.3
81.07063	9.7
83.04976	3.0
83.08628	18.0
93.07053	3.2
94.13500	2.1
95.04973	10.9
95.08631	4.1
97.10167	18.0
99.08127	2.6
103.57505	1.9
106.35611	1.7
106.83877	2.0
107.08598	11.7
109.10164	8.3
111.08090	2.2
117.65787	2.0
119.08550	2.0
121.10162	3.0
125.09666	21.3
131.08594	2.7
133.10091	3.3
135.08040	2.7
135.11722	3.6
145.10127	3.2
149.09583	3.7
152.28059	2.4
163.11180	15.9
165.12727	2.6
185.11713	2.2
193.12294	11.3
195.13799	10.3
203.12766	4.0
213.16217	1.8
223.13260	2.0
248.65591	1.9
275.20120	10.0
293.21127	39.8
307.22745	11.8
325.23755	100.0
329.88928	2.0
360.22211	9.4
360.25949	5.8
360.30838	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	360.2283
Annotation	Aspergillimide
Peak:m/z	Relative Intensity
59.29635	0.8
65.43543	0.9
70.06605	1.3
71.63998	0.8
72.08166	6.2
84.08157	1.4
86.09711	10.4
91.05454	1.6
98.09702	100.0
100.07002	1.7
100.07626	22.4
110.09720	1.1
118.08706	1.2
119.04940	5.9
126.09198	3.4
137.05966	1.0
143.11766	6.3
147.04420	96.5
155.15448	1.0
169.13338	1.5
171.14948	5.5
172.53947	0.9
196.18097	4.9
197.16534	4.5
198.12027	2.1
214.19124	25.5
215.13878	1.4
218.11806	1.8
243.13455	1.2
261.16116	1.8
302.45840	0.9
310.91278	0.8
342.25806	1.2
360.22809	99.7
360.26920	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2132
Annotation	Asp Ile Leu
Peak:m/z	Relative Intensity
60.04531	0.4
61.40651	0.3
67.05991	0.3
68.42421	0.4
69.07072	6.3
70.02939	0.6
70.06588	0.7
74.02180	0.4
81.07052	0.8
84.08130	2.2
85.04036	0.6
86.09712	75.0
88.03492	0.7
88.03995	11.8
93.07027	0.4
96.08112	0.7
98.02418	2.4
110.09672	0.6
113.10812	0.6
114.09141	1.6
115.05043	0.8
123.66059	0.4
131.04939	0.6
132.10207	7.0
133.06091	3.2
137.06027	3.2
138.09135	1.8
141.10233	17.3
142.08647	2.2
143.11798	2.2
144.12143	0.9
145.06471	0.6
155.11803	1.5
156.10207	24.3
166.08658	0.8
173.05919	0.4
183.11279	8.0
184.09705	3.6
187.07494	0.4
188.08276	1.6
200.13834	0.5
201.12349	100.0
229.11833	39.4
306.24191	0.4
324.24615	0.5
336.97543	0.5
342.19907	0.8
342.25955	2.6
357.34906	0.4
360.15463	1.1
360.20966	2.0
360.27322	5.1
370.66962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.213
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
51.25812	0.5
54.14160	0.6
55.05524	5.0
56.05038	1.0
69.07051	1.1
70.06599	53.4
72.08161	100.0
72.21267	0.6
74.40070	0.8
76.03187	0.7
79.72214	0.6
84.04515	30.3
85.02896	3.4
86.09710	95.5
99.08364	0.7
102.05544	34.9
110.09685	0.7
116.07098	1.1
118.08657	12.7
129.06619	3.9
132.10208	76.0
132.34868	0.8
138.09142	13.7
141.06575	1.2
145.04942	1.0
155.11801	6.5
156.10211	18.8
169.13307	0.8
170.11719	1.0
183.11293	77.7
184.09721	1.1
197.12846	8.1
201.12352	54.8
211.10828	12.8
215.13884	9.3
225.12370	2.5
228.13275	0.8
229.11845	31.2
231.17062	3.4
243.13383	6.6
296.19904	1.2
311.74896	0.8
324.19180	4.4
342.20163	15.6
358.95096	0.9
360.21344	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	360.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32646	0.3
55.05531	5.1
70.06598	12.3
72.08161	100.0
73.08495	0.8
83.06067	0.4
84.04505	7.1
84.08138	3.0
85.02916	2.8
86.06081	0.5
86.09711	14.5
87.10023	0.5
94.06577	0.4
95.06106	2.1
100.11293	0.7
102.05547	17.5
104.05330	0.5
108.06591	0.4
110.07188	0.4
113.65481	0.4
116.07072	2.9
120.08128	2.5
127.03950	0.5
129.06656	0.9
130.04956	0.5
130.08734	0.5
131.49069	0.4
132.10217	13.8
132.11171	0.6
135.08102	0.5
141.06696	0.6
143.11845	1.9
144.12259	0.5
145.04970	0.9
156.10153	0.8
172.11671	0.6
176.11807	0.5
183.11317	2.1
188.11891	1.6
193.92868	0.5
197.12862	13.8
200.12254	0.4
200.67070	0.4
201.12343	22.8
213.12491	1.9
217.13643	0.9
222.14957	0.4
225.12361	1.7
229.11833	51.7
243.13420	11.9
245.12985	2.8
261.14478	5.7
261.84961	0.4
268.18152	1.0
316.20355	1.8
342.20135	0.7
360.10962	0.7
360.15204	0.6
360.21170	10.0
360.27127	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26280	0.4
55.05511	0.7
60.05653	0.4
70.06589	0.9
70.69543	0.3
72.08166	19.1
73.04044	0.6
77.54081	0.4
85.74918	0.4
89.10765	0.5
97.07635	1.7
98.06052	0.9
112.34245	0.4
114.10297	26.0
114.11100	0.9
115.08695	4.6
120.08143	0.4
131.12900	0.4
163.03902	0.8
170.06003	1.7
177.15643	0.5
188.07062	26.9
200.07074	1.8
202.08609	4.6
212.07039	2.3
213.06601	2.1
222.87808	0.5
229.09727	8.8
230.08127	70.4
255.07635	4.0
283.14465	0.6
284.12723	0.5
284.46255	0.4
300.16989	2.5
301.15494	17.1
326.15027	7.6
343.17767	3.8
360.20300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54482	0.4
55.05532	0.5
56.21838	0.4
60.05672	0.7
60.08144	0.5
64.22829	0.4
70.06594	0.7
72.08163	17.5
77.06339	0.4
80.84399	0.5
82.13722	0.5
82.39031	0.5
86.09713	2.4
97.07650	2.6
98.06062	0.7
113.88616	0.5
114.10297	26.7
115.08710	3.4
156.10085	0.6
163.03944	0.7
170.06032	2.1
188.07071	27.9
200.07095	2.0
201.12328	1.0
202.08621	4.5
212.07112	3.0
213.06642	2.0
226.14398	0.5
229.09689	9.7
230.08133	70.4
242.07855	0.7
255.07753	3.9
284.12488	0.5
300.17111	3.2
301.15469	17.9
326.15012	6.2
343.17734	4.5
360.20316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40750	0.4
60.05630	0.8
72.08161	23.8
73.04034	0.5
74.77366	0.5
97.07672	5.0
97.14855	0.6
102.60051	0.5
114.10296	51.8
115.08697	4.4
129.44276	0.5
131.12846	0.8
134.06017	1.3
158.06027	0.8
170.09607	0.7
182.91539	0.6
188.07069	86.3
202.08670	1.1
229.09724	2.5
230.08124	23.8
285.14676	0.7
287.41962	0.6
300.17044	7.3
301.15460	23.3
301.18936	0.8
318.18027	0.7
343.17606	10.1
360.20288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80389	0.2
52.47876	0.2
54.64407	0.2
55.05520	0.2
58.52702	0.2
66.24783	0.2
68.05036	0.5
70.06598	100.0
72.08163	1.8
84.04519	1.4
84.05630	0.3
84.08165	0.3
85.02918	0.5
86.09713	0.5
89.03934	0.3
95.04987	0.4
96.04483	0.3
102.05563	0.4
112.07634	1.9
114.05525	5.2
117.03439	0.3
123.04480	0.4
127.03901	0.3
130.06537	0.5
136.68834	0.2
142.05038	1.8
159.09229	0.5
160.06062	4.8
163.03947	1.9
172.38525	0.2
188.07080	0.5
227.08153	0.9
229.11972	0.4
245.09270	0.6
273.08673	0.3
291.09714	1.6
316.12866	0.4
316.16644	0.4
351.66809	0.3
360.12485	0.3
360.16852	1.3
360.20651	0.4
360.68771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76933	0.2
57.31556	0.2
58.91704	0.2
59.76839	0.2
67.05520	0.4
69.07084	0.2
70.06597	100.0
84.08192	0.2
85.02908	0.2
88.74609	0.3
89.75991	0.2
95.04977	1.5
106.46695	0.2
112.07607	3.7
124.31546	0.2
127.03906	0.3
130.06567	0.9
146.40285	0.2
159.09169	0.5
185.07135	0.3
188.07159	1.1
201.10335	0.4
227.08266	1.2
245.09265	1.3
245.98825	0.2
247.58099	0.2
273.08853	0.4
291.09756	1.7
316.16565	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	360.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01883	0.6
57.03436	2.7
57.64663	0.4
61.02939	6.2
69.03439	9.5
71.04993	2.3
73.02906	3.0
81.03423	2.9
84.81474	0.5
85.02908	100.0
87.04478	2.3
91.03958	5.7
96.87072	0.5
97.02895	19.4
99.04467	5.1
109.02878	9.7
115.03912	1.0
127.03914	27.9
145.04965	41.6
163.06010	26.7
180.08670	2.9
198.09813	1.2
199.59673	0.5
199.61673	0.5
203.16768	0.5
289.09186	2.0
325.11340	14.8
360.15146	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	359.2654
Annotation	Ile Val Lys
Peak:m/z	Relative Intensity
50.76792	0.5
53.31467	0.5
55.05512	0.6
60.55793	0.5
60.96218	0.6
70.06601	2.5
72.08155	2.9
77.30766	0.6
84.07674	1.2
84.08152	22.7
85.64526	0.6
107.08585	1.2
109.10133	2.8
114.09178	22.6
115.08694	1.0
125.10783	0.8
126.10307	0.7
131.11728	1.0
133.10139	0.8
143.11809	47.8
151.11163	0.8
157.09718	1.2
299.23306	2.6
317.24323	4.2
323.24698	0.8
324.23090	0.8
341.25510	1.4
359.26541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2658
Annotation	Ile Val Lys
Peak:m/z	Relative Intensity
56.05128	0.4
63.85101	0.4
67.05515	0.5
71.04972	0.5
72.04506	0.9
72.08154	2.8
78.00584	0.6
81.07082	3.8
93.07046	1.1
95.08616	0.6
107.08608	3.1
109.10178	2.4
113.10784	12.7
114.09180	30.2
115.08702	4.7
121.17399	0.5
123.11736	3.0
130.27077	0.5
131.11823	7.8
133.10167	2.1
143.11855	0.7
151.11217	0.8
156.11334	21.1
165.41490	0.5
173.13991	28.3
180.36345	0.6
218.65547	0.6
317.24255	0.8
341.25479	0.6
359.26602	100.0
377.10626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2653
Annotation	Val Lys Leu
Peak:m/z	Relative Intensity
68.76357	0.7
70.06593	12.1
71.04989	2.7
72.04529	0.8
72.08157	1.6
81.07062	3.5
83.08516	0.6
84.08144	7.7
92.17710	0.6
93.07069	1.4
107.08615	2.8
112.07611	13.7
114.09180	14.3
115.08752	1.1
125.09613	2.5
129.10297	0.7
131.11781	1.5
132.05725	0.8
135.11748	1.3
140.69710	0.7
143.10707	2.3
143.11807	18.9
146.63153	0.6
150.12848	0.8
153.12756	0.8
155.08188	3.2
157.09781	1.3
171.12425	4.3
173.14119	0.8
186.09163	1.5
189.13490	11.2
209.16475	0.9
317.24561	2.7
327.08771	0.8
341.25494	3.2
359.11392	2.8
359.26602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96181	0.4
70.06585	2.4
72.04526	0.7
72.08173	2.8
81.07059	0.5
84.08150	15.9
86.09719	0.4
93.07047	0.5
95.04985	0.5
107.08616	2.0
109.06504	0.5
109.10164	1.8
112.07607	0.9
114.09172	18.4
115.08751	0.9
115.09496	0.5
124.08754	0.5
125.09677	0.5
127.08736	0.5
131.11810	2.1
133.10123	0.4
137.06035	0.7
143.11810	34.7
150.12788	0.4
151.11201	0.8
156.11346	0.7
157.09752	1.6
173.14050	0.5
175.07585	0.4
183.14980	0.4
185.14046	0.5
186.09143	0.4
192.15019	0.5
197.13995	0.4
205.75513	0.4
210.16107	0.8
223.15575	0.7
237.17218	0.5
241.16579	0.4
263.21225	0.7
281.22238	0.8
299.23331	4.1
305.23343	0.6
317.24362	2.5
319.52417	0.4
323.24429	2.4
341.25577	7.2
359.26584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2654
Annotation	Ile Val Lys
Peak:m/z	Relative Intensity
51.99503	0.2
52.89278	0.2
55.05505	0.2
63.35982	0.2
69.03436	0.2
70.06586	1.2
71.04984	0.3
72.04532	0.4
72.08164	1.9
81.07084	0.2
84.08147	13.7
85.66529	0.2
94.69150	0.2
97.06522	0.3
101.10787	0.2
103.43144	0.2
106.77964	0.2
107.08592	0.8
109.10151	1.5
112.07626	0.8
113.10797	0.2
114.09170	12.5
115.08669	0.9
115.09468	0.2
123.11685	0.8
125.09647	1.2
125.10766	0.4
126.10307	0.7
127.08701	0.4
127.11217	0.3
131.04921	0.7
131.11790	0.9
133.10130	0.3
143.11801	43.7
150.12764	0.2
151.11189	2.7
156.11298	0.3
157.09723	2.1
157.13408	0.3
160.07339	0.2
169.12230	1.6
173.14030	0.8
197.14090	0.2
210.16037	0.3
246.18134	0.6
247.18068	0.2
263.21350	0.3
264.20599	0.3
265.19086	0.9
281.22318	1.0
283.20230	0.2
299.23380	1.6
306.21741	0.2
317.24338	8.3
323.24435	1.2
324.22720	1.3
341.25385	1.3
342.23938	2.1
359.26520	100.0
359.67526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2654
Annotation	Ile Val Lys
Peak:m/z	Relative Intensity
52.45078	0.5
70.06588	0.7
72.04518	1.1
72.08140	4.0
84.08148	20.6
85.17585	0.6
86.64445	0.7
86.94840	0.6
93.08809	0.6
107.08601	1.1
109.10094	0.6
114.09174	30.5
115.08672	2.6
127.08678	1.3
131.11789	3.1
133.10143	0.8
143.11807	38.8
157.09694	1.0
193.13333	2.7
203.23946	0.7
204.17401	0.9
211.10612	0.7
263.21176	0.9
317.24350	11.8
341.25543	0.9
359.26526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93244	0.5
51.57856	0.5
69.07072	0.6
70.06591	1.2
72.04509	2.1
72.08168	4.5
81.07059	0.9
84.08151	19.9
95.08614	0.9
95.85045	0.6
107.08629	0.9
111.16187	0.5
114.09176	28.2
115.08694	2.8
127.08669	1.3
131.11797	3.5
133.10127	0.8
134.09555	0.7
136.11176	0.5
143.10690	1.3
143.11810	36.6
144.08060	0.6
151.11258	0.6
157.09743	1.9
157.13327	0.7
193.13383	3.1
204.17447	0.9
246.34251	0.6
260.43481	0.6
263.21176	2.6
265.19223	0.6
266.17545	2.3
299.23074	1.1
317.24365	11.7
359.26544	100.0
375.60464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2654
Annotation	Ile Val Lys
Peak:m/z	Relative Intensity
55.05482	0.3
60.88142	0.2
70.06583	0.6
72.08140	1.3
79.11542	0.3
84.07679	0.5
84.08146	10.9
107.08591	0.5
109.10144	1.7
109.10860	0.3
114.09172	10.2
121.33409	0.3
123.11717	0.5
124.74487	0.4
125.09631	0.7
125.10738	0.4
131.11818	0.6
143.11801	42.4
151.11177	2.6
157.09738	0.5
157.13335	0.5
169.12271	0.7
173.13994	0.7
191.42751	0.3
232.38786	0.3
241.16583	0.5
259.17715	0.4
299.20279	0.4
299.23254	2.7
300.09192	0.4
317.24332	11.8
323.24347	0.5
324.23083	0.4
341.25458	2.0
342.23749	3.3
359.26532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
57.34069	0.3
65.03939	0.6
66.63763	0.3
70.06601	4.4
72.04520	0.6
72.08157	9.3
81.07056	0.7
84.08150	22.9
86.09684	2.0
92.17841	0.5
93.03400	1.0
93.07048	0.6
102.04685	2.9
103.05460	2.1
105.07027	3.4
107.08591	0.8
107.22980	0.5
109.06558	0.4
109.10179	3.0
111.04440	1.6
112.07589	0.9
113.10799	0.6
114.05496	0.5
114.09170	20.9
115.08698	0.6
118.78017	0.6
123.04437	1.8
127.08667	0.8
129.10347	0.6
130.04143	4.7
131.04921	5.2
131.11832	0.8
133.06499	2.3
133.10115	0.6
137.02335	0.8
137.05968	2.6
143.11804	50.2
147.04401	2.6
149.06006	3.5
151.03964	0.8
151.07555	0.7
151.11168	1.5
154.02568	0.5
156.11349	0.8
157.09731	1.8
160.07594	0.5
161.05954	6.1
162.06757	13.0
163.03894	2.2
169.04982	1.9
175.07520	0.5
177.05463	3.7
181.04774	0.6
182.05754	4.0
186.09149	0.5
189.58336	0.5
192.14935	0.6
193.90128	0.5
195.06624	0.9
197.04463	8.9
200.13181	0.5
201.13866	3.9
204.47382	0.5
208.14388	0.5
222.11171	0.4
223.15611	0.6
281.22162	0.6
282.39380	0.4
299.23352	2.5
305.23557	0.6
317.24161	3.3
324.22879	0.6
327.08643	27.2
341.25409	1.8
342.23697	0.5
350.66867	0.5
359.11493	5.4
359.26526	100.0
359.67426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
62.85397	0.2
67.05492	0.3
69.07059	0.9
70.06606	1.8
72.04491	1.7
72.08160	5.5
79.05505	0.2
80.05020	0.3
80.23274	0.2
81.03388	0.4
81.07055	1.1
84.04488	0.4
84.05584	0.3
84.08147	18.6
91.05484	0.4
93.07015	0.5
93.93028	0.2
98.06071	0.4
98.09663	0.6
105.07027	0.4
107.08556	1.1
109.10155	0.6
112.07573	0.3
113.10768	1.1
114.09167	29.4
115.08652	2.1
121.10128	0.4
125.10745	0.5
127.08675	2.5
128.07071	0.3
130.04985	0.2
131.11821	3.5
131.12724	0.4
133.10121	1.0
134.09663	1.0
138.17834	0.2
143.11797	41.2
147.95805	0.3
148.11229	0.3
150.12752	1.2
151.11147	0.3
156.11325	0.3
157.09718	2.4
157.13339	0.4
161.05920	0.3
173.14011	0.4
185.13940	0.3
193.13388	3.9
210.16168	0.3
238.17790	0.3
240.19653	0.2
246.18111	0.3
247.62619	0.3
251.03151	0.3
263.21155	2.3
265.19196	0.4
266.17517	1.3
271.06030	0.3
281.22131	0.4
283.20169	0.4
317.24323	12.3
323.24692	0.4
325.53604	0.2
341.25507	1.1
342.23801	1.0
359.26520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77786	2.1
66.76355	2.0
69.98061	2.2
79.05514	4.5
81.07062	13.9
88.02228	4.2
91.05477	3.6
93.07034	10.0
95.08627	11.1
98.56157	2.2
101.45063	2.2
105.07030	16.3
107.08614	10.7
109.10165	4.8
116.05308	17.1
117.07005	3.2
119.08592	8.9
120.91509	2.3
121.10140	4.3
123.22913	2.0
133.10147	8.9
135.11632	2.9
145.10135	13.4
147.11684	23.7
159.11691	12.6
161.13258	100.0
173.13271	11.0
243.96065	2.1
255.21072	65.5
318.21378	7.5
358.98065	7.8
359.21814	12.7
359.25763	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75170	0.4
55.05500	1.1
55.33199	0.4
57.03450	0.6
57.07060	0.4
67.05503	3.3
69.07085	1.1
79.05515	5.1
80.68177	0.4
81.03436	0.7
81.07063	8.7
83.08681	0.6
87.04488	0.6
91.05492	4.2
92.17822	0.7
93.07034	7.2
95.08612	9.0
97.16898	0.5
98.98462	3.3
105.07037	13.5
107.08608	12.0
109.02850	0.6
109.10157	3.5
117.05493	3.0
117.06995	4.5
119.08556	6.1
121.10167	6.6
123.11723	1.0
129.20288	0.5
131.08568	5.6
133.10156	8.2
135.11682	4.9
137.53427	0.5
142.54234	0.6
145.10130	17.4
145.18349	0.6
145.33055	0.5
147.11696	23.8
149.13269	2.0
149.99020	0.5
155.01041	11.5
156.31442	0.5
157.10176	0.7
159.11687	15.3
161.13257	100.0
171.11652	1.1
171.19397	0.5
173.13261	10.0
175.14838	1.1
184.29958	0.5
185.13274	2.6
185.35635	0.5
186.14088	0.5
187.14801	0.9
197.02080	1.2
199.14879	3.7
213.16508	1.8
227.17793	0.8
255.21066	67.7
257.91238	0.6
332.35818	0.5
359.07584	0.7
359.25821	59.9
375.54861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43648	0.7
55.05511	3.8
56.05035	1.2
58.92767	0.8
60.04517	1.7
65.03924	1.1
65.28030	0.8
69.18879	0.9
70.06577	6.0
72.08157	66.8
74.06068	1.7
80.62542	0.9
83.06110	37.7
84.04025	1.4
84.04512	35.3
84.08152	14.8
85.88863	0.9
86.09710	100.0
91.59230	0.8
93.03401	1.1
98.06063	1.6
101.07146	12.3
102.05499	1.0
105.07023	1.8
107.08559	1.7
109.10181	1.1
111.04433	1.0
114.05536	3.5
114.09173	7.5
118.08659	4.7
127.81917	0.9
129.06638	9.5
129.10242	13.3
130.04155	2.2
130.05006	5.3
131.04945	4.1
132.10208	74.7
133.06450	1.1
137.06007	1.1
138.09157	18.6
141.06583	1.3
142.05020	4.7
143.11800	19.8
147.04445	1.2
147.11336	1.2
149.05997	2.1
152.10741	1.6
155.11784	17.6
157.09749	1.3
157.13385	1.4
159.07626	4.0
161.05959	3.8
162.06761	10.7
167.07007	1.8
177.05405	1.7
179.10591	1.1
182.05717	2.0
182.12885	99.6
183.11293	94.5
196.14526	8.0
197.04456	8.7
197.11446	1.1
197.12965	2.0
200.13956	25.0
201.13936	1.1
210.12314	15.2
211.10768	7.3
214.15602	1.8
228.13443	26.1
242.15015	3.8
296.19525	1.2
299.23523	1.2
317.31964	1.2
324.19217	1.8
327.08615	22.9
340.95599	1.1
341.21829	66.7
342.20221	17.9
359.11313	9.1
359.17776	7.1
359.22784	28.6
359.26584	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	359.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28395	0.6
60.05645	0.9
60.29122	0.6
62.80582	0.7
68.08672	0.5
70.06597	5.1
70.95853	0.6
71.16380	0.6
72.04512	1.0
72.08165	7.2
72.93758	0.8
82.54695	0.6
84.05648	1.0
84.08143	12.8
85.02862	0.6
86.09699	3.8
87.10237	0.6
90.94816	0.8
92.08550	0.6
93.03371	0.6
105.07005	1.0
109.06514	0.7
112.05104	0.8
113.10760	1.1
114.09171	20.9
115.08689	1.5
116.07033	0.7
120.08073	0.6
121.02860	1.1
122.09664	0.7
122.91065	0.6
129.10243	0.7
132.08066	0.8
132.95816	2.9
138.98395	2.5
143.10696	1.0
143.11806	31.6
150.09119	2.4
150.96909	2.3
151.07518	1.0
156.11343	2.8
160.95279	0.9
166.97881	4.1
168.10158	5.0
173.13997	6.2
175.11913	1.1
182.97606	0.8
184.98918	2.4
192.11330	0.9
192.95880	0.6
193.09775	0.7
197.14047	0.8
208.98857	0.8
210.12439	2.3
210.96928	3.6
228.97984	0.8
229.62874	0.6
236.63879	0.7
239.15056	2.5
280.20105	0.6
286.10760	0.6
305.19641	4.9
306.18213	0.8
316.99487	2.3
323.20786	18.4
324.19241	0.8
341.12805	1.3
341.21832	38.3
359.00537	3.4
359.13400	3.4
359.22885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2292
Annotation	Val Leu Gln
Peak:m/z	Relative Intensity
50.87675	0.3
53.12246	0.3
55.05520	3.5
55.79472	0.3
56.05036	0.5
56.35030	0.5
61.70052	0.4
62.06093	1.0
70.06583	2.4
72.08162	56.9
81.04581	0.5
82.68108	0.4
84.04510	12.7
84.08151	8.2
85.02884	0.6
86.09711	55.1
88.11237	0.4
95.04948	0.5
99.04413	0.4
101.07154	5.5
102.05587	0.5
111.63759	0.4
121.02877	0.4
129.10243	4.3
130.05006	58.5
131.11768	0.6
138.98409	0.5
147.07652	100.0
148.92809	0.4
151.06082	0.4
155.11874	0.7
161.09193	0.5
163.03900	1.9
167.11792	0.8
171.14948	2.4
185.12825	0.7
185.16504	15.1
197.04622	0.5
199.14488	2.5
213.16010	9.3
243.13403	0.9
253.06007	0.5
260.16071	10.0
270.18216	0.6
271.06964	1.0
341.21848	0.8
342.20175	0.5
350.65424	0.5
359.00714	1.6
359.11957	2.7
359.19000	1.2
359.23022	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	359.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.2
57.73052	0.2
58.76474	0.2
59.58261	0.2
66.31729	0.2
66.78476	0.2
69.03454	0.3
69.07077	0.4
70.06591	3.5
72.08163	100.0
72.37606	0.2
81.07085	0.2
84.04512	0.6
84.08151	2.4
85.02906	0.6
86.09712	20.8
91.05469	0.3
97.02895	0.5
98.06064	0.3
101.07140	2.9
102.09225	0.7
103.09516	0.4
107.08599	1.0
112.08733	0.4
115.05125	0.4
116.07128	0.4
127.08666	0.4
129.06593	4.9
129.10245	8.7
131.04985	0.4
132.10220	5.8
133.10155	1.4
137.06004	0.6
143.11803	5.2
144.08109	2.4
145.08438	1.7
147.04460	0.5
149.05984	0.4
151.03981	0.4
153.82375	0.3
155.04689	0.3
157.09796	1.1
159.04463	0.4
161.05980	0.3
162.06796	0.6
163.03906	0.4
170.09645	6.4
171.10037	9.1
171.11380	1.6
172.10759	2.5
173.02469	0.4
177.05499	1.1
179.10634	0.4
183.11314	3.9
189.12296	2.9
197.04482	0.6
197.11803	1.8
200.13925	1.9
202.14560	1.4
203.15076	1.7
228.13440	22.4
231.17041	4.8
242.15179	0.4
246.14583	1.3
255.06583	0.4
256.16669	0.4
288.19211	0.3
313.22479	1.7
327.08936	2.1
341.21829	1.1
350.65729	0.4
359.11234	0.7
359.15036	0.6
359.16678	0.4
359.22302	12.8
359.26544	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	359.2291
Annotation	Val Leu Gln
Peak:m/z	Relative Intensity
51.68326	0.3
54.47668	0.3
55.05519	3.3
62.06068	0.3
70.06564	2.0
72.08158	56.9
74.06088	0.4
82.18547	0.3
83.04978	0.6
84.04039	0.5
84.04510	14.6
84.07691	0.5
84.08149	10.7
85.02897	0.5
86.09708	55.5
88.11271	0.4
93.03396	0.4
101.07157	5.9
101.10761	0.4
102.05565	1.1
102.87907	0.3
114.09145	0.4
116.07076	0.5
121.02850	0.4
129.10246	3.8
130.05005	60.8
131.11812	1.2
132.95853	0.4
138.98422	0.7
147.07646	100.0
150.96913	0.3
161.78622	0.3
163.03789	0.4
167.11778	1.3
170.11729	0.3
171.11319	0.4
171.14951	1.6
185.12871	0.8
185.16493	15.6
199.14426	0.4
211.50076	0.4
213.15991	9.8
243.13481	1.3
260.16019	9.7
270.98999	0.5
316.99698	0.8
323.17566	0.5
341.18121	0.7
341.21878	1.2
342.16220	0.4
350.08209	0.3
359.00824	0.7
359.12299	1.4
359.19202	3.2
359.23022	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	359.1701
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.46386	1.2
55.01876	8.3
55.05520	12.8
57.03445	2.4
63.99011	1.2
67.05507	11.6
67.05795	1.1
68.99789	1.5
69.03438	33.9
69.07072	100.0
71.04990	6.9
71.16361	1.5
79.05495	9.2
81.03426	25.5
81.07063	15.9
83.04987	8.9
83.08614	6.9
85.02906	24.0
85.06554	28.6
87.00829	14.3
91.05463	6.7
93.07057	23.6
93.94138	1.5
95.04963	12.8
95.08600	21.0
97.02895	11.4
97.06535	9.3
99.04445	6.1
99.08085	7.7
105.01846	2.6
105.07036	16.4
107.04981	6.3
107.08603	23.0
109.02877	7.3
109.06525	7.7
109.10164	20.2
111.04479	11.0
111.08092	36.7
111.11731	11.7
113.98521	1.5
115.03912	6.5
117.07053	3.2
119.04957	1.5
119.08568	16.3
121.06487	17.6
121.10149	15.8
123.04424	2.6
123.08043	7.6
123.11714	16.4
125.09643	3.6
127.03912	15.0
127.11214	10.5
129.01845	6.4
129.05501	2.1
131.08498	10.7
133.10138	15.2
135.08061	12.1
135.11774	11.3
137.05988	8.2
137.09630	20.5
137.13213	2.2
139.07605	12.9
139.11189	14.4
141.09120	2.1
141.12804	12.9
143.08588	6.9
145.10114	8.2
147.02802	1.7
147.11690	9.5
149.09642	6.0
151.11159	10.8
153.12732	3.4
157.10161	2.0
159.02914	2.4
159.08060	3.4
159.11685	11.1
161.09630	15.4
163.11209	11.4
165.12737	2.8
167.07062	2.6
167.10791	2.0
169.12213	6.2
171.02893	2.3
173.13257	1.9
175.11188	7.0
177.05637	1.6
177.12833	13.7
179.10680	13.1
181.12263	3.5
183.11726	2.0
191.14400	2.4
195.13815	15.6
197.11772	10.9
201.03944	2.4
201.12785	12.1
207.13686	1.8
210.89722	1.6
215.05524	1.5
216.83157	2.1
217.08467	1.8
219.13792	24.1
231.04967	2.2
237.14847	23.1
255.15950	6.0
283.11841	3.1
295.10248	1.9
297.16959	32.2
313.10388	1.6
323.14911	65.7
323.18561	3.2
341.16086	21.3
359.16855	13.0
359.20667	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59858	3.0
52.04711	2.7
53.03959	4.4
55.01889	3.8
55.05513	17.5
57.03443	12.7
57.07069	7.8
61.02927	3.7
67.05514	30.1
68.78226	3.1
68.89635	3.3
69.03438	54.1
69.07081	63.3
70.06554	2.9
71.04984	16.3
71.08631	32.7
77.44917	3.2
79.05490	19.4
81.03422	100.0
81.07054	28.5
83.04983	21.1
83.08605	11.9
85.02921	48.8
85.06525	3.9
85.10166	6.7
87.00834	25.0
91.05480	6.0
93.07023	24.9
95.04964	19.8
95.08609	32.7
97.02895	18.0
97.06519	7.4
99.04443	14.0
99.08109	22.7
102.04315	3.1
103.03963	4.8
105.01858	6.0
105.07030	16.8
107.04959	16.9
107.08607	18.0
108.51691	2.9
109.02905	25.2
109.06511	4.9
109.10122	31.6
111.04433	15.7
111.11685	3.4
113.09583	5.5
117.07017	3.6
119.08582	5.4
121.06516	18.2
121.10102	11.8
123.04434	40.2
123.11709	7.8
125.09651	4.3
127.03922	51.5
129.01842	11.7
131.08545	7.6
132.06575	6.0
133.10117	16.1
135.08093	4.9
135.11682	7.3
137.05997	7.6
137.09631	4.2
137.13292	6.3
139.11217	11.9
141.05434	3.6
141.12706	23.4
144.08063	3.6
145.04918	4.7
145.10089	4.6
149.13228	3.8
151.11200	4.7
153.12759	12.2
165.12750	5.1
169.12245	11.9
175.11185	3.7
177.05437	4.0
189.03990	7.9
191.14189	5.8
195.13806	25.5
201.12759	7.5
207.13861	12.2
211.18823	3.8
219.13791	37.7
227.10789	16.1
231.05011	12.8
237.14885	41.3
240.74625	3.7
247.41145	3.3
255.10226	7.2
255.15923	13.9
283.09686	3.5
323.15009	5.9
327.12085	4.6
341.16049	16.3
359.11313	33.5
359.15033	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	359.1707
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.05515	0.5
57.03428	0.9
58.13627	0.4
61.02929	1.3
67.05527	0.6
69.03431	5.2
70.06597	7.5
71.04980	1.2
71.06949	0.5
72.04474	0.5
72.08160	5.2
72.69879	0.4
73.02883	0.8
81.03410	1.2
84.08150	14.9
85.02909	27.6
86.09699	3.5
87.04484	0.9
91.03953	0.7
91.05431	1.7
93.07055	5.7
95.04938	0.6
96.17136	0.5
96.29612	0.6
97.02898	6.7
99.04462	1.0
105.07039	2.1
107.08600	15.9
109.02904	1.3
109.06528	1.1
109.10177	3.7
114.09162	18.2
115.09488	0.9
119.08579	1.3
121.06504	2.6
127.03923	5.6
127.08720	0.7
129.10254	2.1
130.06575	0.6
133.02853	0.7
133.10143	15.3
135.11696	22.1
137.05975	4.6
137.09654	2.5
143.11806	40.2
145.04976	3.3
151.07542	0.6
151.11182	2.9
156.11336	0.7
157.09750	0.6
161.09627	10.9
161.45552	0.6
167.07047	0.9
170.09714	0.7
173.12796	1.1
173.14128	1.3
179.10672	43.0
183.11382	0.8
185.14081	0.6
186.12433	0.6
197.11743	100.0
241.16603	3.9
242.14975	1.3
259.17715	2.6
263.21390	0.8
273.19504	1.2
299.23492	0.9
315.17221	0.7
323.24432	0.9
341.25583	6.9
359.11136	2.2
359.26599	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	359.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82848	4.5
53.03959	9.5
55.01889	6.7
55.05508	22.5
57.03421	7.9
57.07062	6.0
63.93269	5.2
66.80734	5.2
67.05497	29.5
69.03451	57.0
69.07071	100.0
71.05000	13.7
71.08049	5.7
71.08629	14.0
72.08163	6.7
79.05508	7.1
81.03071	5.2
81.03435	85.0
81.07060	30.9
83.04955	8.1
85.02917	57.2
87.00844	25.8
91.05462	8.5
93.07049	9.8
95.08612	10.0
97.02903	12.5
99.04465	23.0
99.08081	11.1
105.01917	8.0
105.07032	7.0
107.04969	10.4
107.08626	8.4
109.02886	51.3
109.10160	6.0
113.09612	5.7
121.06572	8.6
121.10122	6.0
123.04411	31.5
127.03910	87.3
129.01805	7.0
131.08572	6.7
133.10158	7.4
141.12744	7.6
151.11142	13.5
153.12758	8.0
179.79665	6.1
195.13794	10.9
201.12897	7.7
207.13747	6.9
219.13820	27.0
227.10806	31.1
231.05045	26.1
237.14897	25.2
254.34206	6.5
255.10286	6.7
255.15956	11.3
323.14783	5.7
341.16132	8.7
359.11322	42.7
359.15448	7.1
359.21375	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	359.1496
Annotation	Saururin A
Peak:m/z	Relative Intensity
55.01852	0.8
57.57780	0.6
60.41660	0.6
70.06595	1.0
72.08156	1.8
81.07080	0.7
86.09730	1.1
91.05502	0.7
95.04964	1.0
96.08136	3.0
103.05487	5.8
105.07009	1.4
114.09172	1.6
120.05730	1.0
128.44977	0.8
129.07036	5.0
131.04926	13.6
135.08044	3.9
137.05992	78.8
143.11809	1.0
144.08101	6.9
148.05217	1.3
149.05917	1.3
151.07597	1.0
157.06494	7.0
160.07567	1.2
161.05991	12.7
163.07541	15.3
167.04948	1.4
170.09669	1.6
175.07564	2.7
185.05966	4.6
186.09114	5.9
187.09906	3.4
189.09158	3.0
191.07030	13.3
199.07574	3.5
203.08568	4.9
213.51027	0.8
217.08591	12.9
218.14168	4.5
219.12016	0.8
228.10295	0.9
228.30107	0.7
231.08037	18.7
232.08818	1.2
237.14395	4.4
247.07713	1.2
248.08292	8.9
258.06787	1.0
259.07538	13.5
260.08328	4.0
260.15384	1.6
263.07111	3.1
263.10666	21.4
265.08713	1.6
273.12463	1.0
275.07016	0.9
275.67349	0.8
276.07788	11.3
277.08636	3.4
279.06522	4.8
279.09689	1.4
280.11002	1.6
284.68124	4.1
291.10184	27.8
292.10962	1.3
293.08105	4.3
293.68665	5.6
294.08878	1.3
295.09763	1.8
308.10400	6.3
323.12796	100.0
341.13730	3.6
341.22098	1.4
350.22754	4.9
359.11646	0.9
359.19537	7.2
359.23291	23.0
359.26831	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	359.1496
Annotation	Chaetoquadrin H
Peak:m/z	Relative Intensity
50.71069	0.7
70.06607	1.3
75.16333	0.8
75.33798	0.9
75.97428	1.0
92.18406	2.1
93.03412	1.3
93.06992	1.0
102.65752	1.0
104.95441	0.9
107.04951	3.9
107.54487	0.9
110.03639	1.0
111.04436	3.6
115.67085	1.0
121.02878	6.9
121.06505	1.4
125.05990	5.2
128.15239	0.8
135.04427	1.0
137.05972	4.3
139.41133	0.9
144.08095	16.2
149.02382	1.1
151.07616	0.8
151.51036	1.1
153.05493	4.6
159.08069	1.6
161.06030	1.6
161.09703	1.5
163.03841	1.0
167.07037	1.7
171.10387	1.1
177.05518	5.2
181.04974	12.5
181.06422	1.3
193.10112	1.2
194.07294	1.3
195.08125	4.3
197.09610	1.6
198.06734	7.9
199.07623	1.0
206.07133	1.1
209.09499	0.9
210.06720	1.7
211.07526	8.2
212.08305	1.6
221.09677	4.8
223.07558	4.0
224.08308	4.3
225.09177	6.0
227.07065	1.4
228.07877	1.1
234.06891	1.0
237.09155	4.5
238.06201	1.9
238.09874	5.5
239.06958	12.7
240.07744	10.3
241.08656	1.8
247.48918	0.9
249.09105	3.7
250.10155	1.2
251.07019	2.2
253.08600	24.4
253.12238	6.0
254.09465	3.2
255.06508	1.1
255.10133	7.4
256.07346	7.7
257.08267	1.6
266.05847	1.1
266.09332	5.0
267.06595	4.6
267.10117	5.1
268.07306	14.9
269.08032	6.4
270.08871	3.7
271.09573	7.6
272.04639	1.2
273.12454	1.9
281.08215	5.5
281.11792	6.4
282.08917	1.7
283.09702	6.0
284.06876	2.1
284.10501	4.2
285.07599	1.9
285.11124	1.1
287.06708	1.3
295.09729	4.6
297.11343	1.4
298.08304	6.9
298.11963	3.5
299.09186	67.0
299.12704	6.2
300.09961	9.7
309.11197	6.7
311.09064	1.2
313.10760	39.8
313.14377	17.2
326.11569	2.0
327.08575	1.9
327.12244	25.0
331.15326	9.7
341.10223	29.1
341.13947	11.0
359.11148	14.3
359.14975	100.0
359.19678	3.1
359.23236	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	359.1492
Annotation	Prestegane B
Peak:m/z	Relative Intensity
53.79783	1.0
71.25180	0.9
86.09685	4.1
101.92174	1.1
103.05467	6.7
107.04935	1.5
109.06450	1.2
112.45132	1.1
121.06517	1.7
131.04939	15.4
137.05986	66.6
144.08141	2.0
149.05989	2.0
157.06474	2.4
162.06667	1.4
163.07553	35.2
163.46169	1.3
167.07079	1.9
170.09627	8.7
175.07542	100.0
175.17430	1.0
179.07074	2.4
185.05910	1.3
189.09166	5.8
191.07027	21.0
193.08611	1.2
202.14734	4.7
205.08609	21.2
209.08109	12.8
217.08620	9.8
231.08031	1.0
235.07318	1.4
235.09651	37.7
236.69032	1.0
239.10614	1.2
258.94498	1.2
259.07294	1.1
267.10208	1.5
291.10068	2.6
299.12735	6.6
311.12540	1.4
323.09094	1.4
323.12796	2.3
327.08566	1.6
341.10156	3.2
341.13840	24.4
359.11499	3.3
359.14905	9.0
359.19244	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	359.1493
Annotation	Clemaphenol A
Peak:m/z	Relative Intensity
59.29950	4.5
71.25807	3.7
82.03915	4.4
111.06507	4.7
114.56240	4.4
121.02911	7.5
181.04979	9.2
186.09167	7.4
221.62819	5.2
223.78198	4.3
225.03439	4.5
240.07739	5.0
253.08582	23.6
253.12218	8.5
269.08047	7.1
283.09653	8.7
298.08502	7.1
299.12674	9.1
300.09985	8.2
313.10779	41.8
313.14395	20.2
327.12213	22.2
331.15179	5.9
359.14877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1495
Annotation	Chaetoquadrin H
Peak:m/z	Relative Intensity
51.35040	1.3
57.03409	1.3
69.03429	1.7
69.07072	10.7
69.40937	1.3
70.06586	2.9
71.04958	1.7
71.73901	1.2
72.08137	6.4
79.05530	1.3
81.03416	1.5
81.07069	2.6
82.54772	1.3
84.08140	1.6
85.02902	1.6
86.09718	16.2
87.10001	1.7
89.98106	1.5
91.05427	2.0
95.08607	1.8
99.04494	1.7
103.28311	1.3
109.02850	1.6
109.10172	1.6
111.04449	2.9
111.11727	1.3
116.17230	1.4
119.08572	6.0
121.02851	3.3
121.06516	1.4
121.10134	1.6
123.04429	1.9
125.05991	5.8
127.03913	5.5
131.04939	3.0
132.10211	2.5
137.05943	2.7
138.61276	1.4
144.08118	5.2
145.06471	1.8
149.02344	2.0
149.05986	1.8
151.07515	1.7
151.11256	2.1
153.05411	5.6
161.06070	1.6
162.06659	1.7
163.03888	6.6
165.09183	2.0
167.07106	2.7
170.09607	7.9
173.15292	1.7
181.04979	11.4
187.07556	2.7
195.08025	1.5
198.06764	2.5
209.09775	1.5
211.07614	2.7
212.08177	1.7
221.09583	5.9
223.07538	3.3
224.08452	1.8
225.09071	6.9
231.04982	5.5
232.17081	2.5
234.06697	1.6
237.09157	2.2
238.09789	3.4
239.07037	7.4
239.10617	2.4
240.07858	7.8
241.08499	1.4
249.08945	5.6
253.08647	20.2
253.12224	7.4
255.10213	3.2
257.07965	2.3
265.08542	1.8
266.09418	3.3
268.07306	6.0
269.08224	3.3
270.08746	2.7
271.09833	2.4
281.08136	2.4
281.11649	3.4
282.08801	2.7
283.09723	12.5
284.10156	2.3
285.07773	1.5
285.11157	2.3
295.09512	3.3
296.18588	6.9
298.08344	2.3
298.11987	2.8
299.09155	31.5
299.12781	7.0
300.09921	8.8
309.11169	3.3
310.08328	1.6
310.12085	1.8
313.10675	36.5
313.14340	22.3
326.11636	2.4
327.12241	31.7
331.15402	7.5
341.10281	13.9
341.13458	12.7
342.19147	12.2
359.11185	6.6
359.14926	100.0
359.19162	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	359.1488
Annotation	Chaetoquadrin H
Peak:m/z	Relative Intensity
53.66560	4.3
59.21777	5.3
66.96369	4.5
80.60921	5.3
103.88215	5.4
111.04529	5.3
121.02880	6.7
153.05365	5.3
153.83690	5.2
181.04919	9.5
186.73528	4.9
207.43095	5.2
221.09564	7.9
228.07805	5.4
239.07036	12.6
240.07846	6.8
253.08633	32.9
253.12175	7.4
256.07071	6.7
268.07220	10.5
281.08124	7.1
283.09592	11.9
299.09210	84.3
299.12479	10.5
309.11282	11.8
313.10736	50.0
313.14340	18.6
327.12250	33.4
341.10202	30.7
341.13892	8.3
359.10959	10.0
359.14767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1492
Annotation	Polystachyne B
Peak:m/z	Relative Intensity
65.03951	2.4
65.59248	1.8
67.46268	2.0
93.03455	2.1
96.65331	1.9
102.13613	1.9
103.57055	2.2
107.04955	2.8
121.02861	8.0
125.06008	9.0
144.08124	3.2
149.02452	1.9
153.05502	8.1
159.07953	2.6
161.09633	2.9
167.07022	3.7
170.09668	8.4
171.10585	2.3
181.04961	9.0
195.08212	2.1
221.09608	7.7
223.07616	3.0
224.08360	2.3
225.09193	9.1
227.10631	3.6
236.08087	2.3
237.09236	4.1
238.06322	2.4
238.09914	4.1
240.07890	12.2
249.09018	3.5
250.10036	2.3
253.08609	31.1
253.12289	8.4
255.06459	2.6
255.10211	8.7
262.10733	2.6
263.07123	2.3
266.09348	4.9
268.07385	3.1
269.08279	3.4
270.09164	2.3
281.08191	3.6
281.11761	7.9
283.09595	14.8
284.10513	4.2
295.09702	4.2
297.11194	2.4
298.08783	3.4
298.12021	2.8
299.09479	3.1
299.12851	10.0
300.10037	8.7
309.11298	8.8
313.10773	42.2
313.14392	22.3
326.11624	3.4
327.12280	46.6
331.15475	11.4
341.13861	15.9
359.11130	5.7
359.14941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1491
Annotation	Leptolide
Peak:m/z	Relative Intensity
58.87932	1.3
76.40097	1.5
79.91975	1.8
93.03394	1.9
94.76015	1.5
107.04924	1.9
111.04424	2.4
111.93218	1.6
121.02867	7.5
125.05972	8.4
142.61296	1.6
144.08066	2.5
145.02844	16.7
149.02248	2.1
153.05409	5.9
159.07980	2.8
167.07027	3.1
170.09645	11.3
177.05447	33.7
181.04926	7.9
195.08089	3.0
197.09650	1.6
207.07867	1.8
210.06960	1.9
216.05341	1.9
221.09587	7.4
222.10214	1.9
223.07596	2.4
225.08980	3.0
228.24681	2.0
237.09047	6.7
238.09848	6.1
239.06955	5.8
240.07823	6.1
249.08907	2.2
251.06995	3.0
253.08578	18.9
253.12181	9.0
254.09438	2.4
255.10210	6.0
266.09412	3.7
267.10138	2.5
270.08945	1.7
281.08105	6.6
281.11783	9.2
283.09711	7.5
284.10477	2.8
285.14978	1.9
295.09576	2.4
298.08395	2.6
299.09412	4.9
299.12796	10.6
300.09821	12.2
309.11234	3.7
313.10693	37.7
313.14328	19.8
326.11279	3.1
327.12256	35.8
331.15414	8.1
341.13864	13.7
359.10556	3.7
359.14893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.9333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65347	1.1
57.42861	1.0
58.56736	1.0
71.83405	1.3
74.80206	1.1
84.13547	1.3
91.72071	1.4
94.93024	17.4
104.51530	1.2
120.94526	5.3
142.00565	1.2
147.48766	1.2
164.93539	14.7
202.89122	8.2
224.18317	1.4
232.96149	10.0
252.90741	1.6
270.91977	1.9
340.92227	16.8
358.93329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	0.4
58.30929	0.4
67.05515	0.5
70.95271	0.3
71.08633	9.1
71.12007	0.3
79.05468	0.8
81.03398	2.1
81.07043	2.0
83.08604	0.5
93.07017	0.4
94.13722	0.4
95.04963	0.8
97.10179	0.7
99.08100	6.2
111.04410	0.5
123.04425	0.6
125.09624	0.7
142.47527	0.4
149.09705	0.5
151.27625	0.4
175.11122	0.5
179.10667	0.7
183.10153	0.4
193.12244	100.0
245.18929	0.4
263.20062	0.6
291.16312	0.9
291.19543	24.7
309.20630	4.7
323.18292	0.5
323.22153	12.7
341.23251	0.7
358.36942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2378
Annotation	Spiradine G
Peak:m/z	Relative Intensity
62.05802	1.9
62.06096	31.6
79.05488	3.4
81.07066	33.2
95.08585	2.1
96.70811	1.5
105.14314	1.2
109.06537	11.1
147.08057	5.5
149.09610	5.4
171.08061	2.4
172.17000	1.5
175.11133	1.5
187.11208	9.0
189.12776	28.7
200.05992	1.5
211.11099	1.8
213.12769	9.8
227.14297	1.8
237.12764	6.6
255.13797	12.1
255.17693	1.4
279.17551	2.2
297.18472	3.3
358.23782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04496	0.3
69.03414	0.7
70.06616	2.8
70.89248	0.4
71.06934	0.5
72.04517	0.9
72.08156	4.0
73.08483	0.5
81.07056	0.8
84.04531	0.4
84.05636	0.6
84.08151	14.4
85.08473	6.2
86.09694	0.6
92.17865	0.5
93.07037	1.5
95.08582	0.4
97.48332	0.4
98.54218	0.4
107.08611	0.4
109.06526	0.5
112.07607	0.6
113.10736	0.4
114.09174	16.4
115.08712	2.0
115.09490	9.8
119.08594	0.6
121.10110	0.5
127.08706	0.5
133.10162	0.4
137.05983	2.2
143.11807	27.1
143.19118	0.4
144.12190	16.9
145.12340	1.8
149.09673	0.6
150.10091	0.4
157.09793	0.6
158.10089	0.4
159.11652	0.4
167.12715	0.4
173.14076	0.4
174.13145	0.6
197.13763	0.4
198.14218	0.4
233.64531	0.5
240.15492	0.5
242.14749	0.5
258.16486	1.6
259.14685	0.5
262.20013	0.5
275.16849	0.5
276.17288	0.6
281.08075	0.4
315.22852	0.7
316.23169	10.5
317.10248	0.7
322.22339	0.5
340.23587	0.7
341.22272	1.8
358.13782	1.7
358.25095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
55.99064	0.4
65.52339	0.6
68.70769	0.6
69.03412	1.0
69.18448	0.6
70.06590	4.6
72.04496	3.3
72.08162	10.7
74.32625	0.5
79.05467	1.0
81.07053	1.4
84.04530	0.6
84.08154	19.7
91.05454	0.8
93.07018	2.3
95.04899	0.8
95.08596	0.7
97.06531	0.9
98.06024	2.5
99.08085	2.2
107.08568	1.0
108.34779	0.6
109.06475	3.4
109.10081	0.9
112.07585	2.5
113.10735	2.5
114.09184	31.0
115.08650	6.7
115.09466	3.6
121.10150	1.0
127.07519	2.8
127.08625	5.0
131.08516	1.1
131.11743	2.6
137.09615	2.2
141.09093	0.8
141.68962	0.6
143.10736	1.1
143.11804	29.5
144.12137	0.8
148.11180	0.9
149.07101	0.6
149.09555	3.7
151.11147	2.2
156.11293	4.5
157.09747	8.8
157.11615	2.0
166.12265	4.7
167.10573	2.2
173.13931	1.3
174.14285	1.4
184.13283	0.8
191.11816	2.0
192.10107	2.4
193.13321	2.4
209.12817	0.9
210.11176	0.7
220.16801	0.6
246.14775	3.6
263.17618	4.1
264.15820	3.1
279.20602	0.7
281.18436	1.4
340.15146	0.9
340.21832	1.4
358.23233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11899	0.5
66.12913	0.6
69.03422	1.1
70.06593	4.4
70.94529	0.5
71.04983	0.6
72.04512	1.3
72.08156	6.9
81.07073	1.3
81.52322	0.7
84.08149	20.2
86.09698	0.8
93.07068	1.5
95.04930	0.7
95.08572	0.7
97.06508	0.7
98.06052	0.7
99.08125	1.0
107.08593	1.4
109.06521	2.9
112.07638	1.2
114.09173	33.1
115.08710	6.5
115.09482	1.6
116.07107	1.2
121.10190	0.8
127.07583	1.4
127.08681	4.6
131.08574	0.6
131.11803	0.9
134.09633	0.7
137.09644	2.5
143.10687	1.3
143.11807	31.7
149.09633	2.8
151.11226	2.4
155.10638	1.3
157.09734	9.9
166.12265	2.8
167.10602	0.9
169.12250	0.8
181.09750	0.9
181.13388	0.7
191.11761	1.3
192.10243	2.4
192.14954	0.6
193.13373	3.4
197.13997	1.4
198.14244	0.7
209.12840	0.8
210.11232	0.7
235.66718	0.8
245.16809	1.0
246.14967	3.1
261.19638	1.0
263.17593	3.4
264.15976	3.4
279.20682	1.0
280.20908	0.8
281.18680	3.4
282.16858	2.5
287.66467	0.6
297.22070	0.7
298.22089	2.5
322.23373	0.7
340.22510	3.7
340.24026	4.2
358.23721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15907	0.2
51.41053	0.2
53.23957	0.2
55.01857	0.4
55.05510	0.8
59.65176	0.2
60.04496	1.1
63.39093	0.2
64.22399	0.2
67.05476	1.0
69.03394	1.1
70.06600	4.9
71.06905	0.3
71.30772	0.2
72.04523	2.8
72.08157	7.0
72.61555	0.2
79.05501	1.7
81.03395	0.4
81.07069	3.1
83.04980	0.3
84.04457	0.4
84.05637	1.6
84.08151	29.6
85.02884	0.3
85.06507	0.4
86.09673	0.4
91.05450	0.6
93.07054	4.0
95.04951	0.5
95.08562	1.2
98.06062	2.0
98.09639	1.1
101.10722	0.5
105.06996	1.4
105.62237	0.2
107.04937	0.4
107.08630	1.8
109.06525	1.9
109.10105	1.3
112.07558	1.4
114.09173	33.2
115.07967	0.3
115.08630	7.0
115.09464	2.3
116.07100	0.4
119.08542	0.9
121.10178	1.8
121.10812	0.3
123.07958	0.3
123.11629	0.2
125.10672	1.3
126.09064	0.3
127.07806	0.3
127.08677	7.7
131.08566	2.4
131.11769	0.5
134.09610	0.5
136.11191	0.4
137.09628	2.5
139.08623	0.9
140.06889	0.3
143.11806	36.7
144.11226	0.6
144.12189	0.3
148.11124	1.2
149.09677	2.9
151.11067	0.4
155.08023	0.3
156.11285	0.3
157.09731	9.1
157.13290	1.4
166.12270	0.4
167.10641	0.2
170.09105	1.2
172.26878	0.3
181.09613	1.1
191.11723	0.5
192.10110	0.9
193.13422	1.6
197.14015	4.7
198.14334	5.7
202.15810	0.3
220.16985	0.5
245.16460	0.5
246.14859	1.7
246.89967	0.2
261.19446	1.0
263.17520	2.5
264.15909	2.4
264.18253	0.3
279.20419	0.4
281.18420	1.5
282.16769	1.0
298.31219	0.3
299.19522	0.5
314.18771	0.4
340.18365	0.3
340.23590	2.5
344.69507	0.2
358.23190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69849	0.4
60.04515	0.3
63.54671	0.3
69.03422	1.4
70.06592	4.2
72.04504	1.9
72.08157	6.1
79.05499	0.5
81.07053	0.8
83.04970	0.5
84.04499	0.5
84.08154	14.3
92.89182	0.4
93.07012	0.7
95.04962	0.4
98.06021	0.8
99.08125	3.1
107.08575	0.8
109.06507	2.0
109.10161	0.7
110.06046	0.6
111.08086	0.4
112.07579	0.8
114.09184	21.5
115.08682	3.2
116.07104	0.4
121.10123	0.8
123.08055	0.5
127.07641	3.2
127.08630	3.6
131.08546	0.5
131.11783	1.6
137.07074	0.6
137.09616	1.6
143.11812	23.1
148.11255	0.6
149.07045	0.6
149.09610	2.7
151.11134	1.6
155.10608	2.4
157.09753	5.9
166.12309	4.2
167.10658	1.5
169.12183	0.6
184.13307	1.8
191.11900	2.7
191.13277	0.4
192.10234	4.2
193.13388	3.8
209.12837	0.7
210.11282	0.5
211.14354	0.6
214.16458	0.4
245.16362	0.6
246.14929	4.0
251.13760	0.6
257.54727	0.4
261.19458	0.6
263.17502	7.2
264.15872	3.2
279.20627	0.7
281.18564	3.0
282.16864	1.8
286.37177	0.4
297.21695	0.6
299.19431	0.6
299.77774	0.4
304.20135	0.7
305.18439	0.5
316.49710	0.4
340.24496	0.9
358.23288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74174	0.4
56.76037	0.4
59.04984	3.2
61.98666	0.5
63.42603	0.4
63.59531	0.5
66.61355	0.5
79.96986	0.5
80.75446	0.4
83.47981	0.6
89.06024	1.2
103.07570	3.1
137.05888	0.6
144.08087	65.1
145.08823	3.7
148.07585	0.7
153.81841	0.5
158.09630	2.6
170.09636	66.7
171.10406	14.3
172.09872	0.9
173.10738	1.0
187.12277	7.4
188.13083	30.4
192.65634	0.5
224.10684	3.0
269.16476	2.6
287.17325	0.8
299.09201	3.1
317.10388	1.0
326.10864	0.6
341.21762	3.8
358.13809	2.7
358.21225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2127
Annotation	O-(2-Pyrrolylcarbonyl)-virgiline
Peak:m/z	Relative Intensity
54.91408	0.3
58.06598	0.6
72.31013	0.3
74.66610	0.3
77.51099	0.3
84.08134	0.7
91.05486	0.3
92.18401	0.4
95.90307	0.3
112.93387	0.4
114.09200	0.7
123.06194	0.3
131.06548	0.3
143.07362	0.5
143.11818	2.2
144.08095	27.9
144.12155	1.3
145.08907	0.5
158.09656	0.8
161.09673	0.5
170.09647	100.0
171.10426	30.7
171.12602	0.5
187.12270	0.6
189.09279	0.4
201.13823	4.5
202.14655	26.4
240.54691	0.4
358.21259	69.8
358.25174	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	358.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72346	2.1
55.05514	6.3
67.05501	15.6
67.61320	2.5
69.07076	32.0
72.08158	5.7
74.00674	3.4
75.00078	2.6
79.05473	16.7
81.07071	37.1
83.04959	3.2
83.08614	3.9
84.08125	4.1
86.09702	4.9
88.02224	28.9
88.03997	14.4
91.05470	6.9
91.44268	2.5
93.06462	3.2
93.07054	93.4
95.08608	39.0
97.06538	6.1
99.02710	5.1
100.02208	11.7
105.07067	23.8
107.08601	78.0
109.06467	2.7
109.10160	33.0
111.02680	6.7
111.08098	3.1
113.04202	3.6
114.09175	13.7
115.09514	4.8
117.07005	5.9
119.08607	33.5
121.10160	32.2
122.02740	5.3
123.11708	3.3
127.05743	2.8
127.07716	3.0
129.03746	3.3
131.08566	15.9
132.01154	4.6
133.10141	19.6
134.02776	5.0
135.08087	4.0
135.11697	54.3
137.09639	3.8
141.03699	5.2
143.08516	3.5
145.10133	48.0
146.02716	21.8
147.11725	14.5
149.13274	28.7
157.10057	4.7
159.11685	48.0
161.13214	4.6
163.11165	6.1
172.04271	3.7
173.13264	11.6
177.16452	3.2
179.08870	3.7
199.14963	3.6
201.16396	73.6
213.05940	2.9
219.17447	12.4
221.17265	4.1
230.08382	4.2
238.18074	5.0
239.18396	20.2
248.09489	3.4
251.14619	6.8
256.20914	4.6
258.11456	4.9
264.64444	2.8
266.12317	3.4
276.12766	11.9
283.80481	2.7
316.23087	6.6
322.18362	37.0
340.19440	45.2
358.13571	12.3
358.20499	100.0
358.25287	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	358.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84630	0.5
57.23958	0.5
60.49290	0.5
70.06587	3.0
72.08157	3.8
78.27775	0.5
79.48639	0.5
84.08134	3.3
89.49829	0.5
95.06084	0.5
102.09188	1.2
104.84252	0.5
105.65536	0.5
107.04981	0.8
114.09171	4.2
114.12780	2.9
115.09452	1.1
120.68706	0.5
123.04379	0.5
133.02843	0.8
134.31924	0.6
140.31825	0.5
143.11787	6.2
144.12192	3.8
147.04395	8.4
155.37637	0.6
163.03899	69.9
181.04941	6.7
189.01823	100.0
207.02885	51.5
215.17528	0.7
238.07089	8.0
257.16245	0.7
267.06403	0.9
275.33698	0.6
283.09610	12.6
287.60312	0.6
327.08627	47.6
358.12769	11.9
358.18179	0.9
358.20551	0.8
358.25204	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73728	0.4
69.04547	0.8
70.06594	0.7
74.09682	0.6
77.95183	0.5
84.05637	6.4
92.05014	7.2
94.84283	0.5
96.05583	2.3
100.05075	1.3
101.34289	0.5
108.05592	2.2
110.03522	3.5
110.06054	14.5
116.07116	0.6
124.05099	6.2
126.06647	13.1
128.04588	1.1
131.37209	0.5
136.76259	0.5
142.06125	6.0
148.07578	1.2
152.04575	6.8
152.05707	0.8
160.07594	0.7
166.08508	0.9
167.07022	0.9
170.05598	11.0
178.08641	5.7
188.06694	9.8
194.08127	4.6
196.09743	3.5
209.09279	1.0
210.43570	0.5
232.10838	1.0
237.08609	2.1
239.10216	0.6
248.10152	0.9
250.11821	0.8
254.11392	7.3
260.10211	1.0
266.11304	3.4
272.11221	2.0
276.09750	5.5
278.11340	3.3
294.10873	7.4
296.12427	16.8
304.09299	5.1
312.12064	3.6
314.12408	0.9
322.10406	11.4
340.11420	30.7
358.12329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83078	0.6
50.96771	0.6
52.90912	0.6
59.35508	0.7
62.06057	0.7
63.21051	0.7
65.03933	1.3
69.03396	5.2
70.06554	1.1
71.04980	0.9
76.81218	0.7
81.03394	2.4
83.82698	0.8
84.05592	5.0
84.08119	1.5
85.02916	8.5
92.05009	55.1
93.05759	1.7
94.06533	1.8
95.06075	0.9
96.05569	1.2
97.02842	3.1
99.04438	0.8
103.03865	0.8
108.05579	1.4
109.02831	3.0
110.03473	3.2
110.06047	78.4
124.05019	4.6
125.78062	0.7
126.06638	9.1
127.03829	5.0
132.08051	1.6
142.06047	4.2
145.04890	1.0
148.07581	6.9
148.96506	0.8
152.04475	4.4
152.07040	1.9
160.07608	5.4
170.05605	9.6
176.06909	0.9
178.08629	16.0
188.06674	6.9
194.08017	1.2
196.08194	0.8
196.09676	11.9
235.37566	0.9
248.10139	1.6
248.33682	0.8
254.11075	5.0
266.11169	2.9
272.11319	12.1
276.09921	5.3
278.11340	1.2
294.10901	6.5
296.12399	11.2
304.09039	3.9
312.11758	3.6
314.12057	5.1
322.10410	8.8
340.11392	24.4
358.11597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01636	0.4
58.63029	0.4
67.73638	0.4
69.07066	0.8
70.06577	2.0
71.06837	0.4
71.54458	0.4
72.04499	2.2
72.08156	6.1
79.05473	0.8
81.07057	1.9
84.05623	0.6
84.08150	3.9
84.79418	0.5
91.05486	0.7
92.18494	0.5
93.07026	1.9
95.08603	1.1
98.06030	1.1
105.07032	0.9
107.08601	2.1
107.63357	0.5
109.10144	1.0
114.09169	27.6
115.08678	2.7
121.10114	4.4
131.04909	0.6
131.08641	0.7
131.11772	1.0
137.05988	5.3
138.09201	0.7
143.11784	3.5
149.09615	1.0
157.09787	1.1
161.05934	0.6
166.12277	0.8
173.12868	0.8
178.12279	3.4
184.13274	0.5
196.13336	1.9
197.13979	9.9
207.06517	3.9
215.15039	1.1
218.15413	0.8
220.16965	14.2
237.19594	4.0
238.18018	25.0
246.14934	0.8
251.21146	0.8
255.20711	7.7
263.17615	0.9
264.15979	2.1
279.20627	0.7
281.18607	1.0
297.21674	2.5
303.23138	0.6
315.22849	7.5
326.45700	0.5
339.12415	0.5
339.24722	1.0
340.22333	2.8
357.13293	3.9
357.24957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2499
Annotation	Pro Leu Lys
Peak:m/z	Relative Intensity
50.55547	0.3
52.03473	0.3
55.05526	0.5
58.42291	0.3
64.88845	0.3
67.51073	0.4
70.06615	0.5
72.04518	0.4
72.08147	1.6
74.88633	0.3
76.16739	0.4
84.05622	2.2
84.08142	2.1
112.07622	0.5
114.09168	12.2
126.76865	0.3
143.11800	3.2
151.46104	0.3
155.08170	0.4
197.13986	24.0
208.14525	0.7
226.15587	0.4
257.19724	0.6
281.19601	0.7
303.21957	0.5
321.22876	1.7
339.23935	17.0
357.24954	100.0
360.76794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43096	0.2
52.94773	0.2
55.05498	1.1
56.58251	0.2
56.59313	0.2
59.16296	0.2
60.05635	0.2
60.16583	0.2
61.77293	0.2
69.03410	0.4
70.06606	2.2
72.04504	1.2
72.08160	4.2
79.05496	0.3
83.04956	0.5
84.04505	1.2
84.08153	3.7
91.05452	0.3
93.07030	1.0
96.08095	0.3
98.06055	0.4
108.08111	0.3
110.93764	0.2
111.09980	0.3
113.10777	3.6
114.09170	22.3
114.10269	1.0
115.08713	2.3
117.03389	0.5
119.96893	0.2
121.10149	1.1
123.04390	0.6
126.10268	0.3
130.05009	0.4
131.11801	8.5
143.11797	5.7
145.02864	0.4
148.11214	1.3
149.06001	1.1
149.09636	1.2
156.11314	6.1
157.09766	0.4
163.03874	2.2
165.05434	0.4
166.12296	2.2
173.10815	0.4
173.13969	7.6
177.05469	11.6
178.12392	0.3
184.13300	1.4
191.11794	0.5
197.14027	1.4
208.14348	0.4
226.15491	1.3
249.19669	1.1
261.19598	2.0
263.18613	1.2
264.15945	0.3
279.20618	2.4
281.18600	1.0
297.21729	11.3
303.21805	1.0
321.19443	0.4
321.22891	4.1
322.21283	1.4
339.20526	1.0
339.23911	29.9
357.21481	4.9
357.24963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88352	0.7
62.32772	0.7
63.21342	0.7
67.01012	0.7
69.41276	0.8
70.28024	0.9
72.04497	1.8
72.08156	3.7
72.73697	0.8
84.08153	22.4
114.09176	26.9
118.61018	0.9
131.11800	1.3
137.09560	1.3
137.15277	1.0
143.11804	45.4
164.05132	1.0
197.13945	1.6
239.15021	4.8
254.72955	0.9
257.16092	7.2
258.14459	1.1
275.17105	7.0
339.23822	3.5
357.24957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66375	0.2
55.05511	0.4
55.55655	0.2
60.04519	0.3
63.14900	0.2
67.05473	0.2
69.03413	0.2
69.07072	0.2
70.06598	3.0
72.04517	2.4
72.08157	5.7
73.04077	0.2
73.08436	0.2
75.56360	0.2
79.05492	1.7
81.07054	1.5
82.06558	0.3
84.05639	0.3
84.08147	30.4
91.05508	0.4
93.07041	2.0
95.04949	0.3
95.08620	0.5
98.07176	0.4
105.07066	0.7
107.04958	0.5
107.08574	1.3
109.06545	0.3
109.09241	0.2
109.10185	0.2
110.05996	0.2
111.27266	0.2
112.07594	1.1
113.10764	1.3
114.09167	34.2
115.08669	1.4
118.34812	0.2
119.08565	0.4
120.08082	0.2
121.10146	1.0
122.40224	0.3
123.08019	0.2
125.10750	1.2
126.06656	1.3
126.10281	0.2
127.08661	0.5
130.67654	0.2
131.08537	1.1
131.11789	1.2
136.11299	0.2
137.05969	0.5
137.09666	0.4
138.09184	0.3
143.11800	52.1
144.07762	0.5
145.02901	0.3
147.87230	0.2
148.11220	1.3
149.05963	0.5
149.09631	1.8
150.10254	0.2
153.05472	0.3
155.11801	0.2
156.11311	2.3
157.09729	1.3
161.05942	0.3
163.03911	0.9
167.22931	0.2
170.09630	0.3
173.09235	0.2
173.12674	0.4
173.14032	1.6
177.05481	1.7
177.09119	1.0
185.13983	2.1
186.12451	0.2
190.13402	0.8
197.14093	2.3
199.10834	0.3
202.15919	0.2
203.06937	0.3
220.16959	0.4
226.15508	0.2
227.15057	0.4
239.14993	3.5
241.16635	0.3
248.12813	0.2
252.56522	0.2
254.85347	0.3
257.16055	3.7
258.14542	0.8
261.19696	0.7
273.19324	0.5
275.17035	1.1
297.11127	0.4
297.21790	0.4
303.21811	1.0
315.22693	0.9
321.22787	1.0
322.21249	2.4
328.17984	0.2
339.23917	10.2
357.24942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93273	0.8
72.08133	0.9
89.50782	1.0
98.97556	1.2
100.38033	0.9
107.04935	1.3
137.05998	7.2
149.05920	0.9
167.06993	1.7
175.07625	1.1
203.07083	1.4
264.56467	1.0
327.12259	2.0
357.13522	9.8
357.22476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
55.49006	0.6
63.02372	0.8
64.22578	0.6
70.06601	5.8
72.04507	2.6
72.08159	7.8
79.05484	1.1
83.04985	2.9
84.05603	0.9
84.07685	1.0
84.08152	23.4
89.03904	4.4
91.05489	1.2
93.07033	3.6
102.91965	0.6
107.08584	0.8
112.07600	1.0
113.10754	3.7
114.09170	42.3
115.08672	3.1
117.03379	1.1
121.10162	1.1
125.10800	0.7
131.08594	1.3
131.11810	3.4
134.03693	0.7
136.11192	1.3
143.11803	28.3
149.09633	1.1
156.11340	3.7
157.09761	1.2
160.07845	0.7
163.03911	1.2
173.14032	3.7
185.14102	1.1
188.58308	0.6
191.44708	0.7
192.04301	0.9
197.14119	4.7
202.15974	0.9
220.16847	0.7
231.17059	4.3
256.16623	0.7
257.16174	0.9
273.19156	8.7
292.07379	0.6
339.23892	7.4
340.85028	0.7
357.24939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2138
Annotation	CHEBI:73270
Peak:m/z	Relative Intensity
55.05528	0.7
57.03437	0.7
59.81713	0.5
61.02940	0.6
66.23637	0.6
69.03428	3.9
69.07072	2.5
69.38151	0.5
70.03768	1.1
70.06605	9.1
72.08162	13.6
73.06543	2.4
79.60335	0.5
81.03428	2.2
83.06136	0.6
84.04509	4.3
84.08147	4.6
85.02911	11.2
85.03413	0.7
86.03249	3.9
86.09711	100.0
87.00845	3.9
88.01171	1.4
97.02902	3.3
98.03248	0.9
98.06044	0.9
99.04450	1.0
101.07131	1.1
104.07127	0.6
105.01880	11.9
106.02227	2.4
109.02904	4.3
110.03196	0.9
110.07159	0.7
114.09172	1.3
114.10299	1.3
115.08699	2.3
116.07100	12.9
127.03909	7.0
128.04272	5.0
129.06584	0.6
129.10249	3.6
130.04961	0.8
131.11813	19.3
131.12793	1.0
137.05997	5.6
143.11823	2.8
145.02866	0.8
146.05318	0.9
157.10919	0.9
163.03876	0.9
166.08635	2.9
171.11328	2.2
173.13985	0.8
174.04121	0.8
175.54707	0.6
177.05481	8.5
181.09703	0.7
187.10822	2.2
193.03168	3.1
198.08897	2.9
208.09746	6.7
209.09326	0.9
213.05513	1.3
214.04373	0.6
214.15477	0.6
225.12369	3.9
226.11826	5.7
227.10287	4.5
231.04916	0.7
232.05379	3.1
242.14992	48.8
250.06367	2.3
265.05017	0.9
265.15448	1.2
269.04578	1.3
339.20160	0.9
340.13455	0.7
340.18359	0.6
348.64761	1.1
357.02426	0.7
357.09335	0.8
357.16226	8.7
357.21359	14.4
357.25003	3.5
357.65988	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	357.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78674	0.2
55.05513	0.4
63.89562	0.3
69.03431	0.4
69.07072	3.6
70.06600	8.1
72.08167	5.0
73.06567	0.3
77.40338	0.4
78.91465	0.3
83.06110	0.6
84.04492	3.9
84.08164	3.4
84.18634	0.3
85.02930	1.7
86.09714	100.0
87.00854	0.4
89.68932	0.3
92.17949	0.4
97.02843	0.5
98.06041	0.4
100.27395	0.4
101.07159	1.6
105.01888	1.6
109.02870	0.5
110.07200	0.5
114.09148	1.6
114.10277	0.4
115.08726	0.5
116.07100	12.7
127.03945	0.8
128.04271	0.6
129.06592	0.5
129.10257	5.3
131.11812	22.4
133.10138	0.4
137.05991	2.0
143.11823	2.2
145.02866	1.2
151.03932	0.4
163.03963	1.4
166.08653	3.6
171.11365	1.7
173.14032	0.4
174.31197	0.3
177.05476	4.7
181.09756	0.5
183.03030	0.4
187.10742	2.4
197.12840	0.5
208.09692	6.6
214.15639	0.7
215.13916	0.7
225.12346	5.7
226.11839	6.6
227.10294	5.1
230.66605	0.4
233.08180	0.4
241.83150	0.4
242.14998	50.8
244.12933	0.4
269.04477	0.4
339.12344	0.5
339.20444	0.5
357.11191	0.4
357.17026	1.5
357.21469	10.4
357.25104	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	357.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01869	6.6
55.05526	23.3
57.03447	5.6
65.03947	3.3
67.05512	100.0
69.03436	92.6
69.07061	6.8
70.06609	33.0
71.04995	5.2
72.07813	3.0
72.08170	48.8
79.05501	27.7
79.40269	3.2
81.03433	43.1
81.07062	38.3
83.04967	12.3
83.08631	3.3
84.04493	3.7
84.08147	30.6
85.02906	38.8
85.06548	19.2
86.09711	3.7
87.00829	17.0
88.51328	3.1
91.05479	20.7
93.03452	2.8
93.07058	30.9
95.04970	6.7
95.08591	28.5
97.02901	14.1
97.06488	5.4
97.07640	12.2
98.06043	3.3
99.04461	7.1
99.08100	17.7
103.03932	3.0
105.07016	21.4
107.04951	14.2
107.08617	28.4
109.02879	21.0
109.06527	12.7
109.10168	84.6
111.04456	5.9
111.08094	11.9
114.09173	15.4
114.10281	18.5
117.03386	3.9
117.07013	4.5
119.08579	16.6
121.06493	7.4
121.10130	12.6
123.04444	19.3
123.08044	5.0
125.09673	11.7
127.03929	45.6
129.06966	10.1
130.05014	3.5
131.04883	3.2
131.08583	19.0
133.06491	6.1
133.10110	18.9
135.04384	23.1
135.08028	11.5
137.05984	18.6
137.08644	3.2
137.09628	20.6
139.11134	4.6
143.08597	4.3
143.11771	21.1
145.02875	11.3
145.10127	16.5
147.08020	13.1
149.09616	19.6
151.11192	6.6
153.05504	4.7
159.07962	4.1
161.09604	4.2
163.03915	83.2
163.11171	6.8
165.05466	4.3
167.07033	4.3
171.08112	3.0
171.11691	4.2
173.09702	6.1
175.11064	3.2
177.05539	17.6
177.09070	4.5
189.12695	3.6
191.10646	4.1
195.06461	6.2
195.10211	4.6
199.11253	6.1
206.68481	3.1
213.03987	5.0
217.12239	20.7
220.09718	4.0
224.65796	3.4
231.05051	11.2
234.11328	4.9
235.13312	20.6
253.14388	4.6
266.13855	7.2
271.15417	3.7
295.15421	5.8
295.34854	2.8
298.16211	3.7
321.13339	39.0
339.14847	21.2
339.18372	3.5
357.15152	16.9
357.17615	7.9
357.21198	45.8
357.25104	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	357.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.0
55.01881	6.8
55.05519	11.8
57.03444	6.6
60.53284	1.3
65.03941	1.9
66.96585	1.3
67.05512	100.0
68.99796	2.6
69.03053	2.6
69.03436	77.2
69.07059	8.2
71.01337	1.7
71.04993	7.0
72.08147	1.7
73.81957	1.5
79.05493	19.6
81.03429	37.7
81.06605	2.0
81.07066	44.7
83.04977	8.7
83.08624	6.6
85.02911	38.6
85.06543	15.6
87.00846	18.7
91.05492	22.4
93.07055	27.9
95.05013	11.2
95.08607	27.6
97.02898	17.0
97.06537	3.7
99.04440	11.8
99.08097	16.8
105.01871	3.6
105.07054	18.8
107.04930	11.7
107.08602	28.7
109.02883	27.8
109.06535	8.5
109.10165	90.5
111.04448	6.3
111.08097	12.7
115.03940	3.1
117.07011	8.4
119.08572	17.7
121.06506	5.8
121.10166	15.3
123.04447	8.9
123.08051	6.8
125.05995	2.8
125.09647	10.7
127.03931	41.3
129.01831	3.4
129.07059	10.7
131.08546	15.5
132.39360	1.6
133.06508	10.0
133.10136	16.2
135.04367	2.6
135.08046	9.6
135.11726	2.0
137.05975	7.1
137.09627	16.0
139.07666	1.5
139.11203	7.9
143.08583	6.2
145.10127	15.3
147.08057	8.3
147.11644	2.2
149.09644	20.3
151.07625	1.6
151.11176	11.1
157.06462	1.8
157.10162	2.9
159.02911	6.3
159.08035	8.1
161.05995	1.6
161.09674	7.2
163.11156	7.8
167.10670	6.2
171.11664	6.8
173.09651	7.2
175.07655	1.7
175.11153	8.2
177.09094	2.7
179.10666	3.4
181.12186	1.8
187.11172	2.2
189.04109	2.4
189.12794	6.3
191.10674	6.2
193.12260	3.2
199.11188	7.5
201.03923	2.5
205.12334	2.0
213.03882	3.5
217.12296	19.9
231.04941	10.7
235.13329	25.5
253.14337	3.7
295.12222	1.7
295.15475	7.5
303.11957	1.7
321.13333	31.8
339.14471	24.8
357.15665	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	357.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
53.70523	2.0
55.01884	9.7
55.05516	11.2
56.43650	2.0
57.03443	9.9
66.87331	2.2
67.05183	3.2
67.05515	65.7
68.99805	2.2
69.03438	94.7
69.07067	13.3
70.06590	3.5
71.01385	2.6
71.05000	24.7
72.08132	3.0
79.05499	34.2
81.03427	55.5
81.07067	34.3
83.05006	8.4
83.08621	10.2
84.08177	2.6
85.02911	56.0
85.06564	16.1
86.09750	2.4
87.00829	24.3
91.05493	31.8
93.06638	2.1
93.07057	36.2
95.04964	11.1
95.08617	22.2
97.02909	17.0
97.06532	15.6
99.04463	22.7
99.08114	5.7
103.03956	3.0
105.01846	2.7
105.07031	26.9
106.91697	2.2
107.04945	12.3
107.08594	35.4
109.02882	38.2
109.06538	9.7
109.10172	52.6
111.04445	8.9
111.08067	10.1
113.02333	2.7
113.05996	2.4
115.03944	4.4
117.07008	11.2
119.04939	3.4
119.08591	21.8
121.06498	10.9
121.10175	28.5
123.04418	3.8
123.08070	10.0
123.11779	2.7
125.06101	2.7
125.09628	13.1
127.03920	59.6
129.01851	4.0
129.06978	12.0
130.05008	2.3
131.08578	21.8
133.06496	11.6
133.10110	16.4
135.04457	3.2
135.08070	4.9
135.11693	2.5
137.05986	19.0
137.09602	24.3
139.11151	12.9
143.08589	4.6
145.05009	2.7
145.06470	3.8
145.10107	18.7
147.07993	9.4
149.09637	19.0
151.07674	2.9
151.11221	17.4
156.09367	3.2
157.10114	2.9
159.02849	4.8
159.08035	9.2
161.05936	5.0
161.09641	10.0
163.11198	12.5
165.09119	9.6
167.10681	8.5
169.06439	9.5
171.08125	2.7
171.11707	8.3
173.09628	14.3
175.07497	4.1
175.11214	11.4
177.05504	2.8
177.09090	3.5
179.10664	8.9
181.12184	4.1
187.07574	18.7
189.12834	4.0
191.08650	2.5
191.10693	4.5
193.12280	9.4
199.11214	13.9
201.03932	3.6
201.09082	3.7
203.07120	4.4
205.12294	4.0
217.12210	37.5
231.05019	9.5
235.13315	38.2
247.07642	3.0
253.14487	5.2
265.08652	2.4
271.11963	2.4
279.10065	2.7
292.80280	2.6
295.15506	4.0
311.12848	3.3
313.12473	5.3
321.13406	30.2
325.11002	3.2
339.14395	25.9
339.18912	5.5
357.11356	100.0
357.20847	10.2
357.24957	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	357.1336
Annotation	(+)-EI 1507-2
Peak:m/z	Relative Intensity
55.01868	14.2
63.24667	9.8
63.76268	9.4
98.97636	9.9
107.04916	13.0
111.43325	9.9
122.79942	10.2
131.04980	9.6
137.06010	98.5
161.05933	20.4
165.05476	20.0
167.06982	10.9
169.16228	10.8
170.09633	16.4
219.08076	19.5
247.07526	20.7
261.09161	41.5
264.07822	23.3
274.06512	12.5
275.06931	15.4
277.08545	18.1
282.99338	10.4
289.08606	43.7
291.06506	13.4
307.09677	82.2
309.11258	10.3
321.11227	82.6
327.12277	17.6
339.12259	80.3
357.13461	100.0
371.33249	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	357.1337
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
50.13210	0.8
51.88863	0.9
57.19763	0.8
59.66619	0.8
66.07465	0.8
72.08157	2.1
84.08151	6.8
91.05486	1.7
92.17886	1.3
93.07064	1.0
103.05472	3.8
105.06994	1.4
109.06503	1.1
114.09174	11.7
115.05428	1.7
119.04918	1.3
122.03632	1.3
131.04924	10.7
133.06508	3.7
137.05984	100.0
143.11780	13.2
149.06038	1.2
151.03908	24.1
151.04996	1.7
151.07487	1.3
155.04942	7.7
157.06503	1.1
161.06032	6.6
163.07510	11.7
165.05481	1.2
182.61937	1.3
183.04417	6.1
187.07547	13.7
189.05362	6.9
189.09090	1.1
200.04738	7.9
203.07156	1.4
207.06511	30.6
207.08449	1.2
215.07048	19.5
229.06485	2.1
233.08069	3.9
246.06903	1.2
247.07515	1.4
249.99408	1.2
257.06006	5.9
261.09155	10.8
265.08768	1.1
273.81003	1.0
274.06274	3.8
278.09424	3.9
289.08563	12.8
291.06580	2.4
297.11118	1.4
306.08823	9.5
307.09433	1.8
308.91168	1.0
311.12796	2.0
315.22864	7.0
321.11224	42.1
339.12268	35.2
357.13385	8.0
357.17752	2.2
357.24945	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
52.42639	0.8
54.27254	0.6
55.32201	0.8
63.91999	0.8
71.59350	0.8
72.08155	1.5
79.04192	0.8
104.97301	0.9
105.07051	1.2
117.07032	0.9
131.04909	1.0
137.05983	100.0
143.04892	5.5
151.03896	16.0
161.05952	4.4
170.09622	4.2
175.07512	2.1
177.05458	1.3
193.08630	1.1
203.07042	3.5
259.31454	0.9
325.10873	3.3
327.12192	7.1
339.12454	1.4
357.13281	46.5
357.16656	1.7
357.20972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
50.05971	0.5
54.53539	0.5
64.38376	0.6
67.05484	0.8
69.03430	0.9
72.08136	1.0
74.84318	0.6
76.35601	0.6
81.07062	0.7
84.08141	1.4
91.05508	1.0
107.04940	1.6
109.10146	1.0
114.09155	0.7
119.04864	0.8
121.06520	5.0
123.04471	0.9
133.06487	1.4
135.04396	0.7
137.05974	24.2
143.04913	1.4
143.11797	4.3
147.04398	1.1
149.05923	0.7
151.03894	5.8
151.07535	1.4
153.05428	0.9
161.05965	10.1
163.07523	2.7
167.07033	12.3
175.07552	3.4
177.05405	1.0
177.09090	34.2
179.06978	1.5
184.18864	0.7
188.04688	4.1
188.28404	0.6
191.07033	4.5
193.08643	8.1
195.08067	3.8
203.05141	1.0
203.07030	24.2
203.10652	1.6
205.06680	1.3
205.08606	6.3
223.07574	5.2
227.10680	0.8
233.06100	0.9
237.09132	7.5
240.07838	0.8
241.08607	1.2
247.07526	0.8
251.06992	4.7
255.10139	6.8
263.06876	0.9
264.07776	0.8
265.08609	9.6
268.07248	1.4
269.08154	0.7
279.09937	1.1
282.08823	0.8
283.09698	10.0
287.12473	0.7
292.07266	0.9
293.08096	2.8
295.09631	2.8
297.11182	10.1
300.09845	0.8
307.09622	7.6
310.08353	3.5
312.97141	0.8
313.80234	0.8
315.12268	4.5
315.15982	0.9
325.10703	11.7
327.12363	1.6
339.12543	1.0
357.13290	100.0
357.25113	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	357.1332
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
53.32207	0.6
60.56784	0.7
77.30437	1.0
83.96973	0.8
105.07084	0.8
107.02802	0.8
107.04954	3.9
107.77113	0.9
109.02828	1.0
114.74390	1.0
137.05969	6.6
153.05446	1.4
161.05972	9.3
163.07597	1.5
167.07039	7.8
175.07524	1.6
175.31979	0.9
179.07068	1.4
188.04697	6.6
191.07080	4.0
195.08095	4.6
203.07037	24.9
205.06616	1.9
205.08595	9.3
207.08249	0.9
209.09744	1.9
217.04922	0.9
223.07535	5.1
229.46361	0.9
233.06128	0.9
233.20380	0.9
235.07629	0.9
237.09042	7.2
240.07813	1.2
241.08508	1.4
247.07649	1.5
251.06956	3.8
253.08670	1.0
254.09575	0.9
255.10094	11.2
265.08591	8.1
267.06430	1.1
268.07330	1.4
279.10196	1.8
283.09686	10.6
292.07303	1.7
293.08075	3.6
294.08740	0.9
295.09280	1.0
297.11191	9.7
307.09702	10.6
310.08401	4.8
315.12265	7.6
324.09879	1.1
325.10730	13.2
327.12137	1.1
339.11911	1.0
342.10757	2.8
357.13339	100.0
357.17862	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	357.1332
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
55.51795	0.3
70.22130	0.4
70.92094	0.4
91.05469	0.8
92.17764	0.7
95.04967	1.4
107.04932	1.6
115.05467	0.4
121.06516	0.5
123.04363	0.4
130.06470	0.4
131.04962	0.6
137.05965	2.4
144.08080	0.7
147.04424	0.9
151.07545	1.7
153.05502	1.7
156.18753	0.4
161.05983	9.1
163.07536	1.7
165.05527	0.5
167.07051	8.1
167.08429	0.9
170.09631	1.8
175.07549	2.0
177.05507	0.6
177.06915	0.4
179.07040	2.2
180.07745	0.6
182.19008	0.4
188.04663	5.8
191.07053	5.1
191.08589	0.5
195.08063	4.1
203.07027	22.7
205.06612	1.4
205.08582	8.4
207.08076	0.5
209.09622	1.6
219.04424	0.7
219.08078	0.5
222.06693	0.9
223.07532	5.2
227.10678	0.7
233.05861	1.2
235.07588	0.4
237.09096	6.8
240.07863	1.9
241.08588	1.9
247.07500	0.7
251.07016	4.2
253.08682	0.7
254.09698	0.5
255.10150	10.5
263.07077	0.5
264.07892	1.4
265.08627	7.9
267.06351	0.6
267.10095	0.5
268.07336	1.7
269.11707	0.7
279.10135	1.6
281.07977	0.5
282.08777	2.6
283.09674	11.7
284.10233	0.4
292.07343	1.6
292.73788	0.3
293.07986	2.7
295.06381	0.4
295.09656	2.1
296.10324	0.6
297.11221	8.9
300.09747	0.5
307.09641	6.5
310.08356	5.7
315.12289	5.2
324.09940	0.8
325.10730	13.7
326.11594	0.4
327.08716	0.7
327.12268	1.4
339.12302	2.5
342.11057	2.4
357.13324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Spiraformin A
Peak:m/z	Relative Intensity
51.17476	0.6
55.01870	1.7
57.77461	0.6
65.03947	0.7
85.02912	1.4
91.05447	1.0
107.04957	8.8
111.04408	1.7
111.43565	0.6
113.65723	0.7
118.29176	0.8
119.04932	0.7
121.02036	1.2
121.02872	26.6
121.06556	0.7
125.05984	1.7
131.04861	0.8
133.06458	0.8
133.73242	0.7
137.05983	4.2
145.06487	3.4
147.04330	0.8
147.08049	0.9
149.02361	1.3
151.03891	1.4
153.05450	6.7
153.06789	0.8
159.08032	6.5
161.05980	1.6
165.07016	0.8
167.07043	1.4
167.08470	1.3
170.09586	1.4
175.07530	1.2
177.05408	0.7
179.08514	0.9
181.04935	8.1
181.06403	1.4
182.07220	1.1
187.07500	0.7
190.07903	1.0
191.08574	3.9
193.06416	1.2
194.07320	3.1
195.08067	4.4
197.09653	1.0
198.06770	0.8
203.07022	1.2
204.07799	1.0
205.06506	1.0
206.07321	1.0
207.08090	1.4
208.08954	3.0
209.09694	1.3
210.06735	1.2
211.07588	1.6
218.07327	1.3
219.08032	5.5
220.08795	3.3
221.05927	1.1
221.09680	1.2
222.06802	1.1
223.07599	6.4
223.11214	1.3
224.08376	1.1
225.09087	6.3
226.06281	4.8
226.09770	0.9
234.06744	1.2
235.07497	3.3
236.08272	6.8
237.09087	3.6
238.09981	0.9
239.07101	7.9
239.10683	3.8
240.07845	1.5
241.08600	1.2
247.07550	2.0
247.09660	24.6
249.09122	1.2
250.09891	1.6
251.07082	2.7
251.10735	7.5
252.07796	3.0
253.08574	26.6
254.09285	8.4
263.07138	1.1
264.07761	2.7
265.08615	3.5
266.09473	2.9
267.10120	4.0
268.10892	1.6
269.11685	8.5
279.06693	0.9
279.10144	4.0
281.08066	4.1
282.08929	6.2
283.09689	3.7
293.08252	1.0
295.09674	4.1
296.10388	1.6
297.07834	1.2
297.11163	20.4
299.12610	0.8
307.09653	1.5
311.12750	1.0
313.10657	3.6
324.09906	0.8
325.10675	47.7
327.12408	6.0
329.13879	8.2
339.08582	2.6
339.12317	2.5
357.13318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
50.59054	0.7
56.23271	0.8
56.56826	0.7
64.53983	0.8
69.03416	1.2
70.06579	1.0
72.08150	1.9
75.35048	0.8
79.57441	1.0
81.03419	2.0
87.53710	0.8
87.81054	0.8
89.06023	0.8
90.08879	0.8
97.02893	1.2
99.04404	1.0
107.04941	3.5
109.02866	7.2
111.04442	1.3
123.04417	1.5
123.29147	0.8
127.03915	3.6
137.05991	13.4
147.04431	3.8
149.05959	1.0
151.03896	1.8
151.07520	1.6
153.05446	1.0
161.05986	8.7
163.03813	1.6
167.07056	14.1
170.09639	0.9
175.07603	2.1
177.05507	1.7
179.07048	1.7
188.04688	5.9
190.70767	0.9
191.07007	4.8
195.08081	4.7
203.07037	22.0
205.06718	1.8
205.08627	7.4
209.09633	1.7
222.06728	1.2
223.07547	4.7
237.09045	6.5
241.08589	2.1
247.07506	1.5
251.07028	2.1
253.08557	1.5
255.10101	10.6
265.08594	9.7
268.07397	1.8
279.10107	1.3
282.08780	2.0
283.09598	11.1
292.07355	1.2
293.08063	3.5
295.09766	1.6
297.11185	11.0
307.09695	8.6
310.08328	4.0
315.12299	8.3
324.09607	1.1
325.10803	13.2
327.12155	1.4
339.08011	1.1
339.12460	4.3
342.10803	1.6
357.13312	100.0
365.73911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0975
Annotation	4,2'-Epoxy-5,7,4',5'-tetramethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
58.06594	1.3
68.55875	1.1
72.78899	1.1
72.87010	1.0
81.07072	1.2
95.08584	1.4
102.57763	1.3
107.08621	1.7
109.02915	1.2
131.04942	1.6
143.71266	1.2
144.08127	1.5
165.07030	2.5
170.09660	6.4
177.05545	2.3
181.06482	1.3
186.09137	1.2
193.06493	1.7
194.07253	2.1
199.71428	1.1
201.13928	2.0
208.05220	1.7
208.08632	1.3
210.06772	9.9
221.05934	5.1
222.06743	2.4
223.07500	2.5
224.08250	1.6
225.05302	1.9
225.09149	4.9
226.24341	1.4
236.04674	7.1
237.05493	2.1
238.06288	6.6
251.07034	12.0
252.07704	2.0
253.08788	2.6
264.04218	2.1
266.05594	4.5
267.06519	1.6
269.08118	4.8
279.06528	59.5
282.05237	6.0
295.06070	8.6
295.09238	1.3
296.06836	7.7
297.07608	18.6
297.10812	1.9
307.06015	6.9
310.04828	11.2
311.05762	4.0
325.07089	100.0
326.07858	6.3
357.09683	55.4
357.18985	1.4
358.65945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86096	2.5
51.89826	2.7
60.16532	2.8
85.02939	4.5
86.77000	3.4
112.65639	3.1
134.96114	3.3
282.89200	3.7
339.10318	5.6
340.01624	4.0
357.06082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.9602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	3.8
87.76328	2.5
98.97588	23.4
116.98627	14.3
119.01907	5.0
121.60056	2.2
136.53581	2.5
142.36287	2.3
169.89656	2.5
191.19353	2.4
213.00087	4.4
216.98724	2.9
232.96230	9.9
234.99750	3.5
250.97063	3.5
256.96555	13.8
261.03098	12.4
262.03394	2.7
263.02994	4.6
266.94983	3.2
272.94220	3.6
274.97113	33.6
290.94955	22.2
292.98276	10.6
301.01645	15.2
303.00229	3.2
310.96078	15.8
314.95001	100.0
315.95114	8.8
315.99664	3.1
319.96667	5.4
321.97070	4.0
322.46860	24.7
331.47479	4.4
332.96072	56.4
333.92831	5.0
356.96509	13.6
357.04434	10.4
374.97256	14.6
375.02237	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	356.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94833	1.7
51.47947	1.4
54.05970	1.7
55.01871	3.1
55.05505	10.7
57.07075	8.6
57.32131	1.6
60.04547	14.8
67.05504	18.4
69.07083	23.6
71.08624	12.2
76.10742	1.8
79.05499	14.6
81.07069	27.7
83.08633	22.8
85.06540	2.0
85.10205	2.2
91.05470	3.6
93.07049	20.3
95.08604	23.3
97.06503	2.9
97.10184	7.4
99.08099	2.9
105.07018	7.6
107.08585	15.1
109.10147	3.9
119.08574	9.2
121.10159	28.1
129.07071	2.5
131.08571	7.7
131.66513	2.1
133.10139	2.8
135.11732	14.7
139.11137	3.7
142.15929	86.2
143.08521	1.9
145.10091	8.2
147.11671	7.7
149.13275	2.7
156.17491	2.7
156.38078	2.2
159.11650	2.4
163.11302	3.3
167.14317	3.6
171.11655	3.9
183.11624	2.4
184.16954	10.0
207.13846	2.5
233.22659	4.2
253.98689	2.4
261.22247	2.7
278.24731	2.1
279.23251	2.6
285.22137	3.6
296.25812	8.2
303.23239	3.0
320.25812	2.4
343.59296	1.9
356.27957	100.0
356.32343	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	356.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10611	15.7
51.98913	11.6
55.05519	18.6
57.07082	27.3
63.37570	14.5
63.74760	12.8
67.05521	43.6
67.21120	13.8
67.78991	11.9
69.07059	25.6
69.12505	14.3
71.08624	17.7
72.37885	15.9
79.05495	35.0
81.07053	100.0
83.04966	19.1
85.06561	14.0
91.05486	22.8
92.17822	15.6
93.07040	80.9
95.04990	15.2
95.08607	85.7
97.06550	14.1
99.08083	18.6
105.07031	29.8
107.08517	16.8
117.07026	26.8
119.08560	58.2
121.10125	30.5
121.51044	15.7
131.08531	27.9
133.10146	28.4
137.09604	17.9
139.11206	18.6
143.08589	15.3
161.13306	31.5
186.97276	15.5
221.15359	30.5
244.95764	14.1
269.98657	16.2
323.40131	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	356.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24691	0.4
60.04520	0.9
60.05651	0.6
63.28058	0.4
67.05505	0.6
69.07077	4.4
70.06597	12.0
70.07387	0.5
70.74062	0.4
71.06936	4.3
72.04523	5.3
72.08173	4.1
73.08494	0.7
81.07059	1.0
84.05636	1.1
84.08147	7.3
85.08485	2.2
86.09715	5.8
91.05472	0.6
92.05804	0.8
93.07057	4.8
94.07375	2.9
95.08630	0.7
96.08923	0.6
98.06049	0.7
98.09644	0.7
100.07627	7.1
112.07610	8.6
112.08382	0.5
112.08755	1.1
113.07211	1.3
113.07954	4.0
113.10791	0.5
114.09183	16.8
115.08755	1.1
115.09502	8.4
116.05294	0.5
119.73124	0.4
121.10139	2.8
122.10521	1.8
129.10265	1.9
132.10187	2.2
138.10217	0.7
143.11807	6.5
144.12132	4.6
147.11345	0.6
150.09076	0.5
151.09549	0.5
153.11363	0.6
155.08179	2.9
156.08501	0.5
156.11346	0.6
169.10556	0.7
171.12383	1.9
172.12744	0.6
174.14323	0.6
181.04994	0.6
189.13499	3.4
190.13788	1.8
191.07056	1.8
197.14212	0.5
198.14285	1.0
224.15871	0.8
243.15244	0.6
246.15298	0.5
271.14587	0.9
292.22067	0.6
310.23264	2.7
311.21613	0.6
314.21500	1.6
328.24411	2.3
338.22729	2.9
351.41858	0.5
356.15460	3.0
356.23752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2379
Annotation	Agelasidine A
Peak:m/z	Relative Intensity
50.46957	0.5
60.05657	0.8
67.05502	0.7
70.06607	5.7
71.06944	0.7
72.04531	3.5
72.08169	6.9
73.08501	0.6
74.19817	0.5
79.05504	1.1
81.07091	1.1
84.08153	19.7
85.08481	5.1
86.09699	2.2
91.05489	0.6
93.07061	3.5
94.07414	0.7
95.08612	0.9
100.07649	0.6
101.14295	0.5
105.07058	2.4
107.04964	0.7
107.08624	0.9
112.07617	2.6
113.07984	0.8
113.10718	0.7
114.09174	23.8
115.08762	1.7
115.09539	7.8
117.07069	0.6
119.08571	4.0
120.08961	0.9
121.10183	0.9
123.04487	0.5
125.10773	0.8
126.10296	0.6
127.08720	1.1
132.10178	0.6
133.06499	2.7
133.18001	0.6
134.06818	0.9
141.06996	0.8
142.07307	0.6
143.11816	13.3
144.12184	6.8
147.08080	4.6
148.08453	3.1
156.11360	2.0
157.09868	1.0
157.11693	1.0
161.06033	1.3
162.06415	2.2
167.07036	8.3
167.08188	0.5
168.07410	6.0
169.06520	3.1
170.06885	3.4
171.12589	0.6
173.14107	0.8
174.14377	0.8
175.07542	19.2
176.07892	18.2
189.09126	0.6
190.09636	0.6
193.08607	3.9
194.08986	4.2
197.14061	2.0
198.14375	0.9
201.09106	0.8
202.09499	0.8
213.13434	0.9
214.13760	1.0
218.15471	1.0
219.15820	1.3
224.15887	1.0
237.16904	0.9
238.28307	0.5
240.57147	0.6
243.15385	0.9
255.17944	0.7
296.20599	0.8
297.18091	1.0
314.21716	1.1
320.21796	0.9
338.22702	9.7
356.16196	18.3
356.23849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95931	0.6
53.03960	0.9
55.01873	3.5
57.03442	3.7
61.02933	5.2
66.03151	0.6
66.97688	0.6
69.03436	27.7
70.06593	4.3
71.05002	3.0
72.08159	6.1
73.02930	6.2
73.06567	15.5
80.42931	0.7
81.03436	15.5
84.04514	4.8
84.08133	1.7
85.02911	100.0
87.00835	41.3
87.04478	1.2
97.02901	29.4
99.04462	13.0
104.07105	0.7
105.01878	84.6
109.02893	29.7
110.07171	1.4
113.09634	1.1
117.01886	0.9
123.04437	0.8
125.06297	0.7
127.03921	68.7
129.01851	3.9
130.05008	1.2
131.12958	0.7
145.04977	21.4
147.02811	0.8
159.02878	11.3
163.03937	1.4
183.02954	1.1
187.02448	0.8
189.03975	2.9
199.09721	2.5
213.03932	5.4
231.02739	1.2
231.05011	29.2
235.07318	0.8
249.06073	15.2
303.10617	3.1
310.17752	1.2
321.11591	1.5
339.12704	0.9
356.15836	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	356.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	1.7
70.06596	4.0
71.01360	4.6
72.08155	3.6
75.04487	1.2
79.97235	0.7
84.04517	1.1
85.02911	5.1
86.06116	0.9
87.03217	6.6
87.04485	1.7
87.65161	0.8
91.05485	16.1
96.04495	3.3
97.02914	3.2
99.00845	0.8
99.04473	1.6
103.03945	0.8
103.05457	6.1
104.07129	3.8
105.01883	1.0
105.07052	5.8
107.04988	3.4
111.04440	19.1
120.08116	40.8
123.04426	1.1
126.05515	10.4
127.03953	1.4
127.06319	1.3
129.10284	0.7
130.05037	1.2
130.06544	30.2
131.04935	7.6
132.08101	28.6
134.09636	6.0
143.08521	3.0
144.08122	15.6
145.05028	0.9
149.06015	0.9
153.07025	1.1
156.08073	11.6
157.06018	0.7
162.09155	13.0
163.03941	1.2
167.07338	1.4
168.08118	3.1
171.05315	3.7
171.08020	6.8
172.06068	1.7
174.09138	0.8
176.07150	0.9
178.08571	1.0
183.02927	6.0
184.07587	1.4
186.09135	0.8
190.08629	1.3
196.07594	4.2
198.09171	15.9
199.09956	1.4
200.10754	3.4
218.08231	1.2
224.07106	3.7
228.10139	2.7
230.11824	1.7
242.08159	4.2
244.09659	10.6
254.11256	1.1
260.09232	0.9
264.12418	1.1
268.03699	0.9
274.10730	9.8
292.11826	49.9
303.10855	0.9
310.12857	19.9
320.11304	38.2
320.14865	1.6
338.12363	100.0
356.09113	1.7
356.13269	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	355.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	23.8
55.71848	2.1
57.07079	13.3
67.05515	73.0
69.07082	29.7
71.08626	9.8
74.17216	2.4
79.05525	17.1
81.07066	100.0
83.08655	23.8
91.05483	14.4
93.07030	27.9
95.08050	4.5
95.08613	91.3
97.06564	5.7
97.10164	17.5
99.08102	3.8
105.07050	5.9
107.08594	17.2
107.54352	2.6
109.10168	54.4
111.11745	2.6
117.65070	2.2
119.08584	14.2
121.10160	44.1
123.11722	32.1
125.09623	2.4
133.10161	17.3
135.11710	20.3
137.13242	11.0
147.11723	17.9
149.13268	17.9
151.14842	5.6
157.14244	2.6
161.13240	24.5
163.14830	15.3
165.16451	9.9
175.14827	16.1
177.16418	2.6
179.17993	3.7
180.90787	2.6
189.16460	4.6
243.20071	2.5
245.22643	58.5
249.37405	3.0
263.23703	85.3
265.25360	4.1
337.27435	44.5
355.28259	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.03941	5.1
53.36200	4.3
53.54551	4.0
54.57323	4.7
55.05515	9.5
56.19281	4.8
57.03458	5.5
57.07074	19.7
64.70137	4.4
67.05510	77.3
69.06748	4.5
69.07062	43.7
71.08646	6.9
73.76508	4.6
79.05503	9.5
81.07069	100.0
83.08615	25.0
85.48763	5.6
91.05470	12.0
93.07049	30.4
95.08610	96.5
97.06574	7.7
97.10159	32.2
97.38195	4.7
107.08604	26.4
109.10145	55.7
111.62653	5.1
119.08575	9.6
121.10127	39.5
123.11703	23.1
133.10107	18.7
135.11609	18.6
137.13228	6.6
147.11668	12.1
149.13283	11.9
161.13272	11.2
163.14804	19.6
173.86237	5.9
199.12628	5.3
220.98256	5.3
238.52916	6.3
245.22699	51.0
262.98773	5.1
263.23654	75.1
337.27499	37.4
355.28314	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2845
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05510	16.8
57.03436	5.7
57.07067	13.4
60.82155	2.0
67.05183	3.0
67.05510	60.3
69.07069	36.9
71.08616	8.8
72.32748	2.1
79.04400	2.2
79.05473	12.9
81.06603	4.1
81.07062	84.3
83.08622	26.2
85.10182	3.5
91.05492	10.9
93.07036	23.9
95.08606	100.0
97.06509	12.3
97.10150	25.1
97.53234	2.5
99.08082	3.5
105.07034	11.4
107.08623	24.7
109.10150	57.6
109.34470	2.3
111.08067	3.6
111.11678	2.9
113.54459	2.1
119.08593	19.2
121.10159	28.3
123.11706	25.8
133.10173	24.1
135.11671	19.7
137.13214	10.1
147.11679	15.9
149.13257	13.0
151.11194	2.5
151.14810	4.1
156.38667	2.7
161.13226	16.9
163.14798	14.4
165.16379	3.9
175.14815	13.4
175.44994	2.4
179.17932	3.0
189.16405	4.3
193.15891	2.5
223.80684	2.5
245.22620	60.7
252.51639	2.4
263.23682	88.1
265.25467	2.7
281.24829	4.5
326.38953	2.5
337.27380	57.2
355.18661	4.6
355.28601	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.07203	1.1
51.04071	0.9
54.49335	1.0
55.05505	4.6
57.03428	1.3
57.07082	2.2
67.05508	9.9
68.30482	1.2
69.07054	5.8
71.32018	0.9
71.94904	1.3
79.05492	1.3
81.07057	17.0
83.08623	7.3
85.79633	1.1
90.17711	1.1
93.07040	5.1
95.08600	14.4
97.06492	1.3
97.10152	6.4
99.08038	1.4
105.06991	1.1
107.08592	2.5
109.10143	9.0
110.95454	1.1
111.73383	1.3
119.08536	1.3
121.10149	5.4
123.11681	4.7
125.97215	1.4
133.10156	2.8
135.11678	4.8
137.13208	2.6
147.11717	2.3
149.13242	1.7
161.13249	4.8
163.14816	2.7
165.16441	1.6
174.59297	1.2
175.14873	1.8
189.16248	2.0
245.22638	20.6
263.23712	26.6
337.27319	15.5
355.28223	100.0
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	Unknow
Peak:m/z	Relative Intensity
55.05495	9.7
57.07069	9.9
57.91115	7.5
59.96534	8.2
60.25518	8.6
66.92375	7.3
67.05507	70.1
67.29204	8.7
69.07077	32.9
81.07072	93.9
83.08630	20.4
91.05451	12.8
92.15925	7.4
93.07046	19.1
95.08613	100.0
97.10196	12.4
105.07052	10.9
107.08605	20.2
109.10157	53.5
121.10150	18.3
133.10156	10.3
135.11728	9.5
147.11716	16.5
161.13290	15.6
162.56503	8.8
163.14764	12.4
165.16431	12.4
175.14764	11.5
245.22562	72.1
263.19742	11.3
263.23807	82.4
337.27295	44.0
355.28433	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2821
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
116.20284	0.4
122.28104	0.3
174.73535	0.3
186.96036	0.3
200.24542	0.4
355.28207	100.0
377.81522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05519	20.5
55.52338	1.7
57.03433	7.8
57.07070	13.0
57.07315	2.0
67.05178	3.4
67.05513	66.3
68.75323	1.8
69.07078	32.9
71.08627	3.4
79.05499	21.1
81.07063	100.0
83.08634	25.7
85.06548	3.5
85.10184	2.5
87.69684	2.3
88.25614	1.8
91.05476	13.6
93.07050	31.5
95.08607	97.0
97.06556	3.4
97.10152	20.3
99.08143	6.9
99.49255	2.2
105.07030	10.9
107.07978	1.9
107.08607	18.3
109.04405	1.8
109.10163	53.3
111.08065	2.6
111.11726	3.3
119.08572	14.7
121.10157	34.6
123.11705	27.8
133.10167	22.6
135.11719	17.7
137.13255	10.6
147.11722	16.6
149.13232	16.0
149.15108	2.0
151.14819	3.8
161.13219	13.1
163.14804	13.0
165.16365	3.2
175.14841	15.8
179.17821	3.0
189.16434	2.5
203.17998	2.5
206.86305	2.0
212.74393	2.1
245.22617	60.8
250.26854	2.2
263.23730	67.5
265.25296	3.2
337.27310	52.6
355.28442	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	355.2481
Annotation	Rhodomollein XVII
Peak:m/z	Relative Intensity
53.18520	3.8
55.01884	8.7
55.05518	10.1
59.70134	3.7
60.11521	3.6
67.05508	28.0
69.03420	10.2
71.08638	34.5
79.05497	17.9
81.03407	7.6
81.07067	30.4
83.05002	9.0
83.08620	25.3
85.06550	4.8
86.07697	4.5
91.05507	39.0
92.18379	5.7
93.07052	30.9
95.04977	34.4
95.08610	20.9
97.06519	4.6
98.97578	6.9
99.08098	10.5
105.07077	34.8
107.04965	6.1
107.08607	20.6
109.10101	6.3
111.04443	8.5
111.08071	4.0
117.07003	9.3
119.08588	30.2
121.10136	16.9
125.09647	5.7
129.07028	9.3
131.08574	23.9
133.10135	64.5
135.08075	17.8
135.11717	5.5
137.09647	4.6
143.08563	19.7
145.10124	9.5
147.11690	9.6
149.09625	6.1
151.11200	27.7
157.10136	15.8
159.11732	7.6
161.09647	43.2
161.13231	6.0
163.11197	7.3
165.12782	18.6
169.10188	4.6
171.11696	27.5
173.13229	8.4
175.11186	7.8
175.14821	4.4
179.10739	31.3
185.13272	10.2
189.12787	22.7
193.65379	4.3
195.13802	17.8
201.12852	6.3
203.14317	23.8
207.13808	7.2
212.19492	4.4
217.15891	7.2
221.15283	6.1
235.16862	19.3
283.20563	23.8
290.94821	17.1
301.21622	74.8
319.22681	100.0
337.23706	36.1
345.18069	4.1
345.95999	4.2
346.58588	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	355.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04032	0.5
51.95219	0.5
54.08126	0.5
55.07357	0.5
69.07061	2.9
70.06599	0.8
72.04517	3.1
72.08152	4.9
84.05631	1.1
84.07681	0.7
84.08152	14.3
92.17771	0.7
93.07006	0.7
105.03376	3.4
107.08534	0.7
113.10804	1.2
114.08376	1.3
114.09170	30.7
115.08669	1.5
127.08662	0.9
131.11803	0.8
136.11269	0.8
137.06035	0.7
137.09572	0.8
143.11809	34.2
156.11296	2.6
157.13356	0.7
167.06946	0.9
167.11786	0.8
173.13919	3.1
175.07590	0.8
177.06958	0.6
197.13994	5.2
223.15564	3.7
236.16457	0.8
251.17546	1.4
267.58380	0.6
275.90558	0.7
291.21805	3.8
309.22830	16.0
310.21341	6.7
313.21704	0.7
327.23862	18.5
332.60147	0.7
355.23386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32176	0.5
65.36725	0.6
70.06586	0.6
72.04523	1.1
72.08146	2.7
83.85354	0.6
84.05621	3.6
84.08131	2.6
95.08582	2.9
97.06526	0.9
105.07034	2.2
107.08588	1.2
113.09507	0.9
113.10722	0.7
114.09165	16.4
123.08046	2.2
141.91536	0.6
143.11836	3.9
148.62054	0.5
150.09128	2.2
151.07564	1.0
156.11319	2.2
163.02432	0.5
165.09090	1.3
167.11752	0.8
168.10127	3.8
168.40494	0.6
173.13969	4.3
197.13977	21.3
211.05116	0.6
223.15501	3.5
235.98093	0.6
242.15025	0.9
248.19974	0.5
250.19069	0.7
253.16631	0.7
255.14555	0.8
289.58142	0.5
291.21747	1.1
294.05380	0.9
296.19757	0.7
309.22876	19.1
309.26477	0.9
323.20746	10.9
335.66998	0.6
337.06943	0.9
337.22278	6.3
355.08133	1.1
355.23392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93957	0.4
52.16990	0.5
54.65680	0.4
55.56529	0.5
60.72416	0.5
62.54615	0.5
65.89273	0.5
67.11108	0.5
70.06568	1.0
72.04500	3.5
72.08149	3.4
80.55122	0.5
84.05613	5.9
84.06499	0.5
98.07195	3.8
99.07962	2.1
112.08694	0.9
113.09483	2.1
114.08375	1.0
114.09163	23.2
126.10298	1.0
138.06636	0.6
138.10297	1.0
167.12885	0.6
178.13315	0.7
197.13976	47.0
198.14731	1.0
204.78174	0.7
206.12936	2.3
209.13994	0.8
223.15520	1.1
224.13914	5.4
239.15092	1.2
249.17102	2.6
251.14981	5.1
253.16661	2.3
255.14415	0.9
265.16571	0.6
278.18646	1.3
291.21790	3.4
293.23364	2.4
301.20294	0.7
319.21115	5.5
337.22336	74.3
355.23398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75839	0.4
69.81997	0.5
70.06614	0.8
72.04533	1.9
72.08161	4.0
79.05482	3.0
84.05629	5.0
85.98545	0.5
91.05479	2.0
93.07058	3.6
98.07171	1.1
99.07948	2.1
105.07055	0.7
113.09530	1.9
113.10768	2.6
114.09180	26.2
115.08652	0.6
119.08598	8.5
121.10138	1.1
123.04455	4.9
126.10288	0.7
131.11823	3.9
136.11218	3.0
138.10229	0.8
147.08029	4.5
156.11302	3.3
165.09082	2.4
173.13948	2.9
189.18338	0.5
197.13991	28.3
198.14673	0.7
218.15385	10.1
223.15594	0.5
224.13945	2.6
227.13864	1.0
228.75478	0.5
235.06505	0.5
235.18069	3.1
248.03165	0.6
249.19675	0.5
269.16083	4.7
277.19232	0.9
278.18585	0.9
291.21741	0.7
293.23413	2.0
295.20142	0.6
319.21259	0.7
337.18246	0.7
337.22354	41.1
355.23416	100.0
362.96524	0.5
372.22913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10838	0.3
56.05002	0.4
64.26677	0.4
70.06568	1.9
72.04505	2.3
72.08163	4.8
77.15060	0.4
84.05623	8.2
84.08119	2.1
86.09700	0.6
93.07056	0.6
95.06049	0.6
98.07069	0.4
106.77550	0.4
107.04958	0.8
113.10762	0.5
114.09163	24.4
115.08692	0.6
121.06534	0.9
122.06831	0.8
130.04997	0.5
131.11781	0.6
132.10168	0.7
136.06166	0.6
137.05988	0.5
138.10231	1.0
143.11763	1.8
147.04422	0.5
156.11250	1.5
163.03889	1.7
167.07014	0.4
173.13943	0.9
176.09262	0.4
177.05417	0.5
181.08492	0.5
193.04863	0.7
197.13965	41.4
205.01247	0.4
206.12868	0.7
209.13899	0.5
211.15509	4.0
219.66487	0.4
223.15471	0.6
224.13918	4.5
276.17026	0.5
278.18552	0.8
291.21716	0.7
319.21225	3.3
322.32339	0.4
323.19574	0.7
337.18115	0.9
337.22302	21.9
355.23367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55074	0.4
65.16730	0.4
66.22879	0.5
70.06598	0.9
72.04529	1.2
72.08157	2.9
84.08154	20.6
95.05032	0.7
110.07223	0.6
113.10748	0.7
114.08375	1.0
114.09176	26.3
114.09952	1.1
115.08662	0.6
119.08568	0.8
126.10310	0.9
131.11789	2.0
143.11807	43.6
147.08073	2.7
156.11357	4.1
168.11394	0.8
173.13972	3.2
185.14014	2.1
196.44966	0.5
206.12929	1.0
218.15480	0.8
224.13754	0.5
236.16479	2.1
254.17642	1.2
278.18518	0.6
295.20169	1.1
297.18018	0.7
302.46640	0.6
313.21280	2.3
319.21310	2.2
337.22501	4.1
338.20728	3.1
355.23410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31233	0.5
52.86169	0.5
53.59789	0.5
55.12096	0.5
62.89053	0.6
66.94348	0.6
70.06582	2.7
70.66326	0.6
71.65038	0.6
72.04508	1.1
72.08157	5.5
84.05598	3.5
84.08147	9.3
86.13123	0.7
90.37325	0.6
93.07024	1.3
98.07197	1.5
99.07951	1.4
101.31763	0.6
112.08700	0.7
113.09502	1.0
113.10764	1.2
114.09169	28.4
115.08695	0.8
119.08558	2.7
121.10134	0.8
123.04451	3.2
126.06635	0.7
126.10236	1.4
127.08641	0.7
131.11768	0.9
138.10222	1.0
143.11804	14.7
143.95952	0.7
147.08043	1.2
156.11290	1.5
178.09747	0.6
197.13982	23.4
198.14754	0.9
206.12961	0.8
208.09683	2.8
218.15431	1.3
223.15463	1.3
224.13884	2.8
236.16438	1.0
239.12938	0.8
239.14880	4.7
251.14999	2.5
264.11484	0.7
278.18463	0.8
291.21741	0.7
293.23563	1.0
295.20135	1.3
307.21307	3.1
311.25040	0.8
313.21338	2.4
337.22321	41.1
338.20602	1.4
355.23383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38219	1.1
55.05505	1.5
58.20310	0.9
70.06580	6.5
72.04520	10.9
72.08155	26.9
84.05624	8.1
84.10792	1.1
96.05612	1.7
97.07649	4.0
98.06049	7.3
110.07202	1.5
112.07584	1.4
114.09169	90.2
114.10329	6.6
115.08656	3.2
121.93062	1.0
122.07143	4.5
131.12943	1.4
140.08197	5.0
142.06131	6.1
147.04402	6.5
153.09044	1.8
157.10828	16.9
163.03889	2.4
167.07036	4.9
176.11665	1.2
177.05501	1.2
178.02672	1.5
178.09714	1.4
178.13353	5.0
188.11871	6.7
193.04962	55.2
197.13976	57.1
206.12897	10.9
209.14005	6.5
214.03531	1.1
222.12448	1.1
223.15390	1.7
224.60965	1.1
235.15508	15.4
237.13499	4.7
238.14174	6.7
251.15031	6.1
253.16570	51.6
255.14485	38.7
261.17047	1.9
290.20920	1.4
291.21768	4.8
301.20197	6.0
319.21265	32.7
323.17139	31.2
337.00363	1.3
337.22339	100.0
355.00964	8.6
355.19638	29.7
355.23459	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01361	0.4
67.64448	0.5
70.06590	2.2
70.80378	0.5
72.04550	0.7
72.08159	5.8
75.71821	0.5
84.05633	9.6
98.06059	0.6
108.04496	1.0
112.07591	0.9
114.09171	13.3
138.09138	2.1
142.77092	0.5
147.08057	0.9
148.11151	0.5
149.10767	2.2
150.09151	27.9
155.11884	0.6
167.11830	6.8
176.10719	1.0
178.13326	0.7
182.11819	1.0
183.10344	0.5
184.13295	3.9
186.15346	0.5
194.11699	0.9
197.14003	2.8
206.12857	2.3
209.12756	4.3
218.15387	13.8
224.13925	0.8
226.05414	1.2
235.18007	6.5
236.16473	26.6
239.14900	0.9
249.17165	2.0
249.19594	0.6
251.14996	3.5
253.19081	12.5
267.20718	0.9
277.19092	5.3
295.20123	5.0
296.05832	0.6
319.21277	4.0
325.54080	0.5
337.22333	11.0
355.10797	17.1
355.23401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16565	0.9
52.39429	0.9
63.83939	1.1
70.06604	10.6
72.04522	6.7
72.08154	16.4
81.07066	2.0
84.05629	1.7
96.05602	4.4
109.06524	4.5
112.07629	5.7
113.22762	1.0
114.09175	81.7
122.07175	1.5
142.06136	6.0
146.09676	1.2
150.10204	1.4
167.12883	4.4
175.41705	1.1
176.11734	1.5
178.09758	7.1
178.13405	2.3
188.11810	5.2
195.12416	5.1
197.13959	17.1
206.12939	9.3
209.13962	13.9
211.15588	2.6
223.15550	1.6
226.15382	1.1
235.15530	4.4
237.13440	15.1
238.14275	2.6
247.15543	2.5
249.70811	1.1
253.16660	4.7
255.14522	59.9
261.16953	1.7
279.18204	2.0
289.20166	6.6
290.21060	1.4
291.21790	10.6
301.20227	4.4
307.21243	1.7
319.21320	82.3
324.95575	1.5
337.22354	100.0
355.23404	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2271
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.97999	2.3
56.01431	2.7
57.03451	3.3
57.07070	6.7
70.17341	2.5
97.50538	2.9
98.86998	3.0
98.97608	10.4
103.31293	2.5
109.10154	3.0
115.85744	2.8
117.05470	4.8
121.06531	22.6
135.08047	2.9
137.09618	3.4
139.33972	2.5
154.51103	2.7
175.07552	3.2
177.12747	92.1
179.10814	3.6
191.10669	100.0
299.16409	9.7
323.25830	6.1
351.14493	2.6
355.22614	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	355.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23562	0.1
60.04530	0.7
60.05702	0.1
70.06590	1.5
71.04993	0.1
72.04148	0.2
72.04525	3.9
72.08160	7.7
73.02933	0.1
81.03392	0.1
81.07067	0.2
84.04526	0.2
84.05640	5.1
94.06580	0.8
95.08594	0.6
96.05624	2.8
98.07172	1.1
99.08109	0.2
108.95705	0.2
109.06491	0.3
110.06036	0.2
110.07150	1.1
112.07609	0.2
114.09174	35.6
116.07082	0.2
122.07140	0.2
123.08083	1.7
126.06606	1.5
131.11771	0.2
136.08693	1.7
138.06633	2.5
141.10252	0.3
143.11800	0.2
146.09590	0.2
147.01312	1.4
148.08698	0.2
149.09439	0.2
150.06628	0.2
150.10248	0.8
152.08231	0.3
156.11359	0.2
164.10669	0.5
164.11885	0.5
166.09775	0.2
167.12926	1.5
168.11295	0.2
175.00928	0.1
176.11844	0.2
178.09866	0.2
178.13391	2.7
182.11778	0.9
188.11795	1.9
190.13350	0.3
192.11342	0.3
193.01866	3.1
196.14548	1.3
197.13982	4.4
202.03822	0.2
206.12904	7.8
208.14531	0.2
209.13986	6.8
211.15523	1.1
221.05591	0.5
221.07678	0.2
223.15518	4.0
224.13950	4.5
235.15503	0.3
237.13496	0.6
237.17154	0.2
238.14360	1.4
239.15024	6.6
247.15550	0.6
248.16362	2.0
249.17097	8.8
251.15016	17.9
261.17050	0.3
263.14984	0.3
265.16568	1.8
272.44748	0.2
276.19507	0.2
277.20166	1.1
279.18097	0.2
290.21054	0.2
291.21765	5.4
293.23376	1.1
295.20984	0.1
301.20157	1.5
309.22870	3.3
319.21286	19.9
322.71729	0.2
337.22336	50.5
355.11301	3.0
355.23401	100.0
370.93372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
56.31698	0.5
56.36391	0.5
60.05655	2.1
70.06592	4.1
70.59749	0.5
72.08159	11.5
79.05483	0.8
84.08147	1.2
86.07152	0.7
87.07966	1.1
89.10767	0.9
97.07659	4.6
98.06050	14.0
103.12080	0.6
107.04945	2.5
112.08710	0.7
114.09140	3.1
114.10297	15.7
115.08685	7.1
119.04948	0.6
123.04413	0.7
124.23827	0.5
131.12910	5.2
132.95842	1.2
133.06439	0.7
140.08206	0.6
145.58012	0.6
149.05952	0.7
150.05504	0.6
153.05394	0.8
157.10855	36.8
163.03896	1.5
165.05453	3.3
167.07033	16.3
178.02606	3.7
178.04991	0.8
179.07008	0.7
180.99419	0.6
185.09305	1.0
193.04970	100.0
194.97404	1.0
197.13924	3.1
208.98990	5.5
223.00533	3.7
231.11371	0.8
232.09531	1.1
245.12462	0.5
250.99966	3.9
263.13968	0.8
264.12238	6.5
265.01672	1.2
273.64838	0.6
291.14758	0.6
293.01172	1.1
294.99152	1.1
295.17459	0.6
306.14450	2.8
309.15512	2.8
319.21115	1.0
323.17151	54.6
324.18124	1.0
337.22342	3.9
355.01004	1.3
355.19733	67.5
355.23398	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02034	0.3
52.88506	0.3
55.05512	1.3
57.13134	0.4
60.05643	2.3
61.07338	0.3
69.03417	0.4
70.06595	3.5
72.04515	0.5
72.08162	12.1
73.06437	0.5
77.05598	0.3
80.16872	0.3
84.05619	2.4
84.08114	0.8
86.06057	0.4
86.07185	0.9
87.07978	1.6
89.10780	1.6
91.05470	0.7
97.07655	3.5
98.05454	0.5
98.06060	13.3
100.08739	0.5
107.04904	0.4
112.08710	0.7
113.05988	0.4
114.09154	8.0
114.10281	12.6
115.08703	7.7
119.04923	2.1
119.42113	0.4
121.06509	0.5
123.04430	0.5
123.52335	0.4
131.12915	5.0
139.07489	0.3
140.08186	0.6
143.11819	0.4
147.04410	6.1
149.05946	1.4
153.05444	1.8
157.10849	31.4
157.22044	0.4
158.11565	0.4
158.97444	0.8
163.03908	0.8
165.05478	2.5
166.09706	2.1
167.07056	12.4
173.01328	0.6
173.12865	1.5
178.02634	3.2
178.04982	0.6
190.04973	0.4
192.06557	0.8
193.04965	100.0
194.08101	0.4
196.28511	0.4
197.13986	5.4
198.96837	0.5
209.12682	0.4
210.16006	2.4
210.96889	1.6
211.41167	0.4
222.07527	0.4
228.17065	2.3
228.97935	0.4
231.11305	0.6
232.09694	1.8
234.99030	0.6
236.12840	1.6
246.12395	0.5
252.97954	2.8
263.14008	2.4
264.12201	4.9
278.99527	2.3
279.18167	6.9
281.15140	0.5
291.21646	0.8
295.17575	0.4
306.14444	2.2
309.15582	2.1
319.21201	4.6
323.17136	43.2
324.17801	0.7
325.18930	0.4
336.99976	0.7
337.22327	7.6
354.13843	0.4
355.01117	9.9
355.19724	63.2
355.23535	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	355.1176
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
51.50241	0.8
52.29398	0.9
55.01883	14.3
57.00814	0.9
64.66898	0.9
71.20901	0.9
85.02912	3.5
96.37640	1.0
98.97577	1.2
103.04871	1.0
107.04950	4.1
109.10117	1.2
111.04459	1.3
115.05485	1.2
120.73889	0.8
121.02867	18.6
125.05986	1.3
131.04906	1.7
137.05983	1.6
144.08069	15.8
145.06538	3.7
145.08420	10.6
149.02338	1.2
153.05386	3.7
157.60483	1.0
158.09605	1.6
159.10019	1.2
160.11217	1.2
161.05815	1.1
165.07007	1.8
170.09599	12.0
171.10008	12.2
173.05986	5.7
174.06702	2.1
178.07828	1.6
179.08565	2.2
181.04897	1.3
181.06465	2.2
186.11084	1.3
187.12292	1.2
188.12958	7.3
189.07115	1.3
189.13414	5.6
191.08580	2.1
196.08812	1.4
198.12758	1.5
199.13039	4.0
201.05473	11.1
202.06358	1.8
206.07297	4.3
207.08047	8.4
218.07239	2.3
221.06015	1.4
221.09491	4.3
223.07611	1.7
224.08345	8.4
228.15796	1.6
228.29390	1.0
234.06795	7.9
235.07491	10.0
236.08231	2.4
237.09073	4.9
239.10658	1.5
242.17316	1.5
245.08040	14.3
247.07431	1.7
249.09071	9.6
251.06964	2.5
252.07816	29.8
262.06168	1.9
263.07019	5.1
264.07819	1.9
265.08514	8.1
266.09329	2.3
267.10190	13.6
269.08112	4.3
277.08487	5.4
279.06580	2.1
280.07352	8.3
281.08121	5.7
290.94748	3.9
291.06296	1.1
291.42508	1.1
293.08130	2.2
294.08627	3.7
295.09631	27.2
296.10406	5.0
297.07578	1.6
299.12820	1.1
305.08078	1.2
312.09982	1.5
322.08392	1.3
323.09152	57.1
324.10129	1.5
325.10776	1.1
327.12396	7.8
355.11740	100.0
355.23294	27.4
355.27371	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	355.1072
Annotation	Flumioxazin
Peak:m/z	Relative Intensity
52.08146	0.3
57.96964	0.2
58.90166	0.3
60.05637	0.4
63.14856	0.2
72.04504	0.3
72.08138	1.1
82.61456	0.3
84.05634	45.2
88.03978	0.3
89.77296	0.3
103.66644	0.3
110.97044	0.3
114.09172	5.0
130.99023	0.3
180.04729	0.3
182.06364	0.4
188.11871	0.4
192.06631	1.0
197.14043	1.0
206.06395	0.3
206.12950	0.4
209.14005	0.5
224.03783	0.4
224.13837	0.3
226.05298	7.7
228.06865	0.6
239.14961	0.3
248.16357	0.3
249.17180	1.0
250.05252	1.0
251.15042	1.7
252.06848	0.4
272.05869	0.5
278.04794	0.3
291.21744	0.5
296.05963	4.3
309.10458	0.4
319.21320	1.9
337.22385	6.7
355.10703	100.0
355.23260	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.9837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99088	1.4
67.09185	1.1
72.08145	13.0
88.02229	15.0
88.03650	1.3
98.97579	3.0
116.05324	27.9
130.28676	1.5
149.51086	1.2
158.75519	1.3
163.95700	9.5
191.10797	1.6
191.98935	13.7
194.00504	2.0
205.96803	1.7
207.96570	8.1
223.97879	7.6
224.96927	1.9
225.97646	17.7
229.02083	5.8
248.99287	2.0
261.99991	1.4
263.00598	1.8
290.94931	3.2
291.03906	25.7
354.98364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.2
56.47840	2.5
57.07071	2.5
69.07058	14.0
80.85331	3.1
81.07053	5.5
82.33261	2.5
83.08603	6.7
90.05560	100.0
95.08603	4.0
97.10176	10.4
109.10115	4.1
111.11700	4.5
124.45631	2.7
125.25024	2.7
197.69739	3.3
229.61099	3.0
233.31415	3.4
243.99661	2.8
257.14160	2.9
336.32776	3.6
354.30008	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.9839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69628	0.3
53.26418	0.2
54.67811	0.3
59.99119	3.6
67.05518	0.4
72.07751	0.5
72.08163	12.7
72.08774	0.4
81.07052	0.5
85.20514	0.3
88.02223	18.5
95.08577	0.4
109.10115	0.4
116.05322	21.8
130.92175	0.3
137.04117	0.3
163.95764	8.8
173.97865	1.9
191.98898	13.1
194.00429	2.1
195.94701	2.3
205.96849	2.7
207.94797	0.5
207.96628	8.5
215.00475	0.5
217.01767	0.4
218.96434	0.4
219.96561	0.5
223.97859	8.8
224.96854	1.7
225.97620	15.4
225.99498	2.3
229.02066	6.9
233.05212	2.3
235.71057	0.3
245.05183	0.7
248.99255	0.7
262.00171	2.0
263.00723	2.1
265.04050	0.4
279.03882	0.5
291.03943	22.3
304.86069	0.3
354.98367	100.0
355.23151	0.7
355.27802	0.4
355.33298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17674	0.9
61.94253	1.0
68.05047	1.0
69.05805	2.1
70.79189	1.0
82.06602	10.3
94.06563	5.6
95.07336	6.1
96.08149	1.8
101.06020	1.7
107.26560	1.1
107.81956	1.1
108.08109	5.9
116.67731	1.1
120.08106	1.8
122.09597	1.5
132.08096	5.9
134.09639	7.0
135.10367	2.6
144.08090	100.0
145.08856	25.1
146.09651	10.0
147.10422	1.8
148.11230	2.3
149.08369	4.2
149.11998	2.6
157.08832	2.6
158.09641	37.5
159.10429	7.3
160.11209	41.9
169.10164	1.1
170.09641	77.3
171.09140	1.7
171.10431	16.1
172.09926	20.7
172.11224	2.3
173.10713	1.7
173.12021	4.7
182.09702	4.3
184.11208	9.9
185.10728	46.8
187.12292	33.3
188.13089	57.2
196.11252	1.7
198.12782	73.5
199.12125	1.4
199.13710	1.5
210.12706	2.2
212.14369	8.6
227.15404	24.6
241.16977	18.1
242.14131	2.0
242.17799	24.1
255.18665	1.3
270.17709	1.4
354.23013	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70134	1.3
56.05042	1.5
69.05803	7.2
69.07060	4.0
70.71535	1.5
75.83685	1.6
82.06599	14.5
83.07308	1.7
84.08134	2.2
94.06564	9.3
95.07349	6.9
96.08158	2.3
103.40354	1.4
107.47507	1.6
108.08116	7.1
109.23883	1.8
109.90127	1.6
120.08088	2.8
121.06550	1.5
122.09605	1.9
131.07356	2.9
132.08089	7.3
134.09654	2.4
135.10463	2.6
142.94055	2.0
144.08092	67.0
145.08875	25.2
146.09636	13.6
147.10468	2.8
148.11235	3.7
149.06110	1.5
149.08351	3.0
149.12015	8.1
158.09651	48.1
159.10442	6.6
160.11224	51.4
170.09637	55.2
171.10481	13.6
172.09944	20.2
172.11235	3.7
173.11987	2.8
182.09773	2.0
184.11237	13.2
185.10745	50.0
187.12305	38.3
188.13091	58.1
194.68462	1.9
196.11330	2.6
198.12788	100.0
198.99063	1.9
212.14398	7.9
227.15445	35.9
241.17047	21.5
242.17749	31.8
276.06857	2.0
288.82040	1.6
294.09552	11.8
354.11649	29.7
354.22989	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22570	0.4
55.05502	0.5
58.18781	0.5
58.93972	0.4
70.06594	3.5
72.04496	2.9
72.08157	7.6
72.45706	0.5
72.76131	0.5
79.05450	0.5
84.05596	0.6
84.07686	0.5
84.08147	12.7
87.42769	0.5
93.07016	1.0
98.06033	2.0
99.13231	0.5
107.08564	0.9
109.06479	0.7
112.07584	0.9
114.09169	24.9
115.08714	5.1
115.09381	0.8
117.06974	2.3
119.08530	2.2
120.81293	0.5
126.10281	0.6
127.08688	5.3
131.11781	1.2
135.08099	4.0
143.11792	12.2
145.06441	1.2
157.09738	6.4
162.09108	2.9
163.07500	4.5
198.14175	0.5
206.04472	0.6
216.13765	2.6
234.14720	2.0
252.16229	0.5
258.04425	0.5
277.15433	0.9
293.18570	1.1
295.16550	5.0
295.19357	0.7
311.19455	2.6
354.20160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25061	0.4
56.05038	0.6
65.86042	0.4
67.17222	0.4
68.77439	0.5
69.03429	0.7
69.07047	0.6
70.06590	1.0
71.05004	0.5
72.08154	1.9
84.04516	13.3
84.08160	1.1
85.02898	3.5
86.06065	10.9
87.04472	19.4
88.11268	9.4
96.08125	2.4
97.06533	0.9
101.97780	0.4
102.05544	6.9
104.07091	3.3
105.01846	0.7
106.63593	0.5
120.08093	0.8
123.04410	3.3
124.07594	100.0
126.88394	0.4
127.03910	0.9
130.05009	0.7
136.06195	2.0
139.07550	0.6
142.08589	1.6
152.07069	23.1
157.08603	5.2
170.08112	5.7
188.09183	99.7
198.99075	0.6
221.12744	0.7
241.03857	0.6
274.06998	0.6
354.11649	2.3
354.15479	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	354.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66622	0.3
69.03463	0.4
70.06612	0.4
80.41167	0.4
82.08092	0.4
83.05947	0.4
84.04505	0.9
85.02909	10.8
87.00856	0.8
91.05503	0.8
93.07053	3.2
95.06078	3.7
102.05534	4.6
103.05473	2.2
112.04060	0.4
121.06509	100.0
127.03894	2.2
130.05008	84.5
131.03429	2.9
138.09152	27.4
145.04973	0.9
191.16623	0.4
204.10217	6.7
222.11267	17.0
231.05122	0.5
249.06004	0.9
250.10739	75.3
251.17476	4.8
262.63083	0.4
268.11786	19.0
268.14539	0.8
310.24945	3.1
336.10818	4.2
354.11792	18.0
354.16864	0.7
354.18130	0.7
354.23981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1185
Annotation	5-HYDROXY TRYPTOPHOL BETA-D-GLUCURONIDE
Peak:m/z	Relative Intensity
52.27997	0.2
55.05500	0.3
56.05035	1.7
62.61873	0.3
68.20992	0.3
69.07077	0.3
70.06607	2.4
70.07655	0.2
72.08142	1.5
74.06083	0.4
81.07043	1.5
84.04504	0.5
84.05608	0.6
84.08156	0.5
85.02901	0.4
86.03844	0.3
86.09696	2.6
89.61036	0.3
91.05490	0.4
99.08077	1.7
101.02386	1.9
102.34367	0.3
105.03407	0.3
105.07025	4.3
105.42389	0.3
108.55750	0.3
110.06053	0.4
114.09141	1.4
115.09491	0.4
116.07078	0.5
117.07021	0.5
119.03417	0.6
120.08088	1.1
121.06489	0.4
122.09669	3.0
123.04361	0.4
135.08051	0.4
141.07082	0.4
145.06447	1.1
149.05898	0.3
151.03922	0.6
157.08630	0.5
161.05939	2.1
163.07513	3.1
169.06474	0.7
171.07964	0.4
173.05971	4.6
174.05516	6.2
175.03925	0.6
175.09735	0.6
177.05453	13.3
177.06946	0.6
179.07080	2.7
185.05960	2.3
187.07518	1.6
189.05481	4.5
190.08636	1.9
191.07024	20.2
192.06555	2.2
197.06001	1.6
197.13982	1.6
198.14401	2.1
199.03902	0.7
199.07539	0.4
201.05467	3.7
201.09253	0.3
203.06985	0.5
205.04968	1.1
206.08127	2.3
207.06917	0.6
207.08875	7.0
208.09685	18.1
213.05444	8.5
215.06992	3.7
217.04971	4.4
219.06505	0.6
225.05559	1.1
228.91936	0.3
229.04970	6.1
229.08672	1.4
230.05807	1.6
231.06496	2.4
233.04451	0.4
233.08006	0.6
234.07637	1.3
241.04999	5.1
242.05608	0.3
243.06509	3.3
247.06006	7.7
250.10730	1.8
257.04379	1.6
258.07590	0.6
259.05994	9.9
261.07532	2.8
262.07004	0.7
265.07098	0.5
269.04443	1.3
271.06012	0.6
273.07568	5.6
275.05490	1.3
276.08691	1.5
278.10226	1.2
280.11374	0.3
287.05350	0.5
289.07080	3.8
294.09711	1.8
301.07056	0.4
307.08084	1.1
318.09848	0.7
326.00870	0.4
336.10718	2.8
336.21091	0.5
354.11826	100.0
354.21973	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15364	1.8
55.05515	10.3
57.07077	4.9
57.36845	2.2
59.84129	1.8
64.34061	2.4
67.05176	3.8
67.05515	77.1
69.07066	8.1
71.85854	2.1
72.78611	2.2
75.32860	2.1
79.05505	41.8
81.07069	97.5
83.05008	2.1
83.08617	14.0
91.05491	16.3
93.07056	60.4
95.08611	77.8
97.06506	4.0
99.08083	3.4
105.07068	18.6
105.07662	2.4
107.08607	51.5
108.67566	2.1
109.10154	39.2
117.07008	8.7
119.08601	12.0
121.10145	41.9
123.11710	14.5
131.08582	24.3
133.10155	14.0
135.11690	38.4
137.13257	3.3
145.10156	14.0
147.11722	14.0
149.13240	19.4
151.14838	4.0
159.11671	15.9
160.45554	2.1
161.13264	13.1
163.14810	19.4
173.13310	19.0
177.16446	3.8
186.91483	2.2
187.14772	9.5
202.88641	2.5
243.21059	31.4
261.22128	100.0
261.24823	4.5
279.23444	2.3
310.81342	2.1
317.50034	2.4
335.25854	25.6
353.26868	41.9
365.58646	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.78068	1.2
52.60617	1.5
54.53284	1.2
55.05513	7.2
55.21549	1.4
57.03437	10.1
57.07076	1.9
63.15479	1.6
67.05518	23.9
69.07082	12.7
71.04993	1.7
71.08633	46.2
77.36160	1.6
79.05492	12.5
81.07065	40.0
83.05005	2.3
83.08620	8.3
85.06541	1.9
91.05460	6.6
93.07068	12.8
95.08605	23.5
97.10160	7.3
99.08108	28.3
102.76338	1.6
105.07020	9.7
107.08592	16.4
109.06539	2.0
109.10162	11.5
117.07058	2.1
119.08591	7.8
121.10128	9.5
123.11675	1.9
127.11154	1.8
131.08597	5.9
133.10121	2.7
135.11700	8.1
137.13242	5.6
141.49832	1.4
143.26109	1.6
145.10191	2.9
147.11697	18.3
149.13246	2.2
159.11655	2.3
161.13321	2.2
163.11081	2.1
163.14848	7.5
165.12711	2.3
166.32121	1.5
221.74927	1.8
243.21111	7.9
259.95224	1.5
261.22116	15.8
279.23236	22.4
322.95593	1.6
353.26883	100.0
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
54.67883	4.4
63.76299	3.8
67.05511	43.6
67.42394	3.4
68.04365	3.6
69.07043	5.1
71.08598	4.0
79.05493	33.4
81.07059	74.2
91.05487	19.5
93.07045	65.6
95.08600	60.0
97.06471	4.7
99.08102	5.0
105.07013	9.9
107.08603	47.2
109.10169	31.0
119.08580	10.4
121.10131	35.6
131.08543	19.8
133.10149	6.0
135.11711	35.7
145.10107	15.9
147.11758	13.2
149.13301	25.1
159.11728	16.8
161.13223	8.5
163.14766	21.6
173.13254	10.0
177.16385	4.6
178.71947	4.0
182.88023	4.0
187.14830	5.5
243.21089	36.8
261.22150	100.0
284.01157	4.6
335.25839	4.8
353.15067	5.1
353.26904	41.8
365.05725	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	353.2689
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
53.62032	1.4
55.05501	2.8
56.78971	1.5
57.07053	1.5
67.05492	9.5
69.07069	6.2
71.08627	14.6
79.05461	6.1
81.07039	9.3
83.08604	1.8
83.14703	1.7
85.06519	2.0
93.07051	11.7
95.04975	3.9
95.08598	11.2
97.06460	2.3
97.10144	3.0
99.08122	4.1
105.07012	3.4
107.08585	8.8
109.06541	13.0
109.10153	8.1
115.99603	1.8
119.08554	3.5
121.10120	6.1
122.36736	1.8
123.11732	2.6
131.40945	1.6
139.90005	1.8
147.11644	2.5
165.12758	28.0
175.14719	2.9
179.14297	2.4
193.15945	2.6
223.08038	1.8
235.16998	3.3
269.87500	1.9
291.23181	41.7
353.26837	100.0
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	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.47926	1.8
52.74227	1.8
55.05505	4.4
55.27118	1.9
55.47679	2.0
57.03439	5.1
59.51630	2.3
67.05186	3.5
67.05519	62.6
69.07061	14.1
77.29201	2.6
79.05511	27.8
81.07072	77.5
83.08630	3.0
88.86385	2.7
91.05492	12.0
92.18345	2.5
93.07052	46.9
95.08045	4.2
95.08612	69.4
99.08073	2.7
102.18195	2.5
105.07034	12.0
107.08589	41.0
109.10183	40.9
119.08607	15.9
121.06528	2.4
121.10157	30.5
123.11707	19.0
128.21652	2.6
131.08582	19.5
133.10155	5.8
135.11728	32.2
137.13237	11.9
143.63075	2.7
145.10112	10.2
147.11723	4.5
147.80507	2.9
149.13280	20.8
159.11725	17.6
161.13239	12.6
163.14833	13.8
173.13228	11.5
187.14801	9.3
216.18143	2.6
243.21085	32.8
261.22131	95.6
268.49570	2.5
279.23373	3.6
335.25858	19.8
348.66815	2.6
353.26889	100.0
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	Grandilobatin A
Peak:m/z	Relative Intensity
55.05520	8.8
57.07078	2.4
67.05502	11.0
69.03417	1.1
69.07074	16.0
71.04987	2.1
71.08640	22.4
75.40551	1.0
78.65941	0.9
79.05517	7.9
81.03436	1.1
81.06606	1.5
81.07063	24.3
83.08617	7.1
85.06576	2.1
91.05491	4.9
93.07066	11.3
95.04991	1.5
95.08620	22.3
97.06532	6.2
97.10175	4.0
99.08090	14.5
105.07041	12.6
107.08627	10.3
109.06536	19.6
109.10191	10.4
111.08081	1.8
119.08589	11.5
121.06501	5.2
121.10174	10.2
123.08050	2.3
123.11694	7.1
126.57936	1.0
131.08603	4.6
133.10133	10.2
135.08066	2.7
135.11717	8.7
139.11200	4.8
145.10173	4.5
147.11716	5.1
149.09636	2.2
149.13354	3.7
151.14806	1.3
159.11626	2.5
161.09682	1.2
161.13292	2.4
163.11212	4.2
163.14815	1.3
165.12753	54.2
165.14105	2.3
175.14810	4.5
177.12837	4.3
179.14381	1.3
189.16309	1.8
191.14391	1.9
195.13779	1.2
201.16273	1.1
209.19000	11.6
216.89664	1.2
237.18483	1.8
261.18335	1.2
279.19543	1.1
289.25244	18.3
291.82379	1.2
307.26566	2.1
317.24768	70.4
321.24283	7.1
335.25824	100.0
336.16565	1.2
342.04614	1.1
349.65765	1.1
353.26709	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	43.4
69.07078	9.1
77.57452	6.4
79.05491	41.1
80.87236	5.9
81.07076	64.5
81.53175	6.1
83.54700	6.1
84.72722	5.8
85.12890	5.9
88.49300	6.2
91.05466	7.6
92.17890	9.6
93.07077	46.2
95.08602	57.1
105.07016	7.6
107.08578	35.3
109.10187	33.9
111.69839	6.2
119.08589	9.2
121.10159	47.9
131.08556	23.6
133.10156	10.9
135.11696	14.9
145.10159	12.8
147.11678	10.5
149.13306	34.3
157.14584	6.0
159.11700	6.9
161.13258	7.3
163.14867	11.4
171.11787	7.2
173.13274	12.6
175.14911	6.7
222.07687	7.1
243.21022	44.2
246.68690	7.2
261.22131	100.0
335.25644	7.7
353.26813	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
57.03442	9.7
57.07081	49.8
57.52556	5.2
64.24107	6.3
67.05507	46.0
69.07081	6.3
71.08599	7.6
79.05533	8.7
81.07060	45.9
82.53057	5.5
93.07072	11.4
94.81030	5.9
95.08613	44.0
99.72098	5.3
100.28400	4.8
102.21746	6.5
104.99339	5.5
107.08606	11.7
109.10156	29.4
121.10110	6.4
123.11683	8.6
127.11250	7.5
135.11711	8.5
169.12242	33.5
180.78964	5.5
201.64211	6.0
261.21957	7.4
279.23300	27.6
353.26816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.20892	1.7
55.05522	8.3
57.07087	2.5
59.47235	2.1
60.17056	1.8
67.05174	3.5
67.05510	61.1
69.07060	9.8
72.82524	1.9
79.05492	27.3
81.06609	2.9
81.07065	76.9
83.08619	10.0
85.06565	2.5
91.05490	13.2
92.17907	2.2
93.07055	54.4
95.08615	55.3
97.06532	2.4
99.08077	2.9
105.07040	9.5
107.08617	44.8
109.10158	36.9
117.07001	3.9
119.08573	12.9
119.95940	2.1
121.10139	35.2
123.08124	2.1
123.11727	21.3
131.08533	16.8
133.10152	18.0
135.11729	32.3
137.13293	4.4
145.10158	16.7
147.11681	13.2
149.13263	28.2
159.11700	12.2
161.13284	9.1
163.14818	20.1
169.40305	2.5
173.13248	12.3
179.14311	2.5
187.14856	4.2
220.40189	2.2
243.21144	25.2
261.22156	100.0
278.96378	2.2
288.50906	2.3
304.64520	2.1
304.81708	2.2
326.77484	2.1
335.25775	9.6
353.26843	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05522	10.7
57.03431	4.7
57.07078	3.9
60.12955	2.5
67.05515	72.8
69.07061	17.2
75.85091	2.9
79.05497	30.3
81.00312	2.8
81.07066	94.9
83.08622	3.3
91.05486	16.3
91.39354	2.5
93.07048	46.9
95.08611	77.5
97.10231	2.7
105.07061	5.9
107.08598	40.4
109.10163	42.7
117.07026	6.6
119.08581	12.6
121.10139	34.4
123.11721	22.1
131.08534	19.9
133.10126	13.8
133.53629	2.7
135.11711	38.6
137.13263	4.1
143.97450	2.8
145.10139	13.4
147.11697	10.1
149.13286	28.9
159.11736	12.1
161.13261	13.7
162.48305	2.6
163.14818	16.3
173.13266	15.5
177.16403	9.9
187.14793	6.6
212.15628	2.8
230.72125	3.1
243.21115	28.0
257.94644	3.1
261.22144	100.0
279.23065	9.8
294.06772	3.0
311.26144	2.8
335.25790	27.2
353.26801	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.56219	1.4
55.05507	7.6
55.07774	2.0
57.03426	7.6
57.07066	4.2
63.01653	1.8
67.05511	74.6
69.07056	11.7
71.04963	2.9
79.05494	28.6
81.07062	100.0
83.08616	7.7
85.06522	3.3
91.05460	14.5
93.07050	51.1
95.08607	85.8
100.40241	2.0
105.07043	13.8
107.08597	38.3
109.10169	46.7
117.07003	7.3
119.08588	14.7
121.10149	39.8
123.11717	24.2
131.08606	21.8
133.10139	16.3
135.11687	36.9
137.13232	10.5
139.11066	2.6
145.10095	20.5
147.11626	13.5
149.13261	27.6
149.69702	2.1
150.80063	1.9
159.11729	18.0
161.13234	8.8
163.14793	14.5
172.61111	2.3
173.13217	15.0
175.14893	2.6
177.16399	2.0
187.14830	12.9
194.69257	2.2
201.16551	2.1
206.20998	2.1
233.22614	3.5
243.21028	30.6
261.22147	92.7
262.34662	2.4
279.23154	3.6
335.25797	22.5
353.26868	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05499	5.0
57.03431	2.2
57.07083	3.1
63.75142	2.4
64.44080	2.5
67.05515	64.0
67.48083	2.3
69.07063	12.2
71.06194	2.9
71.14712	2.3
76.07526	2.3
79.05498	31.2
81.06603	4.0
81.07063	92.1
83.08607	9.2
91.05488	10.7
93.07049	50.5
95.08610	68.7
97.06557	3.4
105.07048	21.9
107.08605	46.0
109.10172	43.9
117.07001	5.1
119.08556	16.5
121.10149	38.9
123.11677	20.2
131.08595	25.6
133.10143	18.2
135.11737	33.8
136.77094	2.5
137.13245	4.8
145.10138	17.6
147.11699	12.3
149.13261	25.0
159.11673	15.6
161.13278	14.2
163.14830	15.3
173.13297	15.0
177.16383	3.4
187.14787	5.9
218.31615	2.4
243.21060	26.2
261.22128	100.0
261.24826	4.2
330.10498	2.6
335.25784	11.6
353.26862	87.8
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
52.67801	1.0
55.01883	12.3
55.05524	14.9
57.03429	5.8
57.07069	5.6
67.05519	22.6
69.07083	23.4
71.05000	1.4
79.05502	17.5
81.07065	30.5
83.04990	1.7
83.08631	35.5
85.06544	1.4
89.50465	1.1
91.05479	2.6
93.07043	27.1
95.08617	24.7
97.06530	6.2
97.10190	11.9
105.07056	1.2
107.08598	21.1
109.10171	14.5
111.08096	2.1
121.10155	31.5
121.10975	2.2
123.11689	4.6
125.09621	2.0
131.08566	1.4
133.10094	1.4
135.11702	15.0
137.13312	2.2
139.11205	1.1
145.10115	1.4
149.13335	8.8
151.14825	2.1
167.14290	8.3
173.13226	1.7
192.34143	1.2
194.39258	1.1
212.54390	1.3
233.22621	13.3
261.22229	6.8
279.23306	2.2
353.26895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	13.6
57.00644	9.5
64.62017	9.9
64.83439	10.8
67.05498	63.9
68.64752	9.7
71.08627	11.9
73.49644	11.4
81.07065	66.0
83.08628	19.1
93.07020	18.6
95.08617	53.7
107.08630	17.6
109.10158	16.1
109.42971	10.9
121.10149	15.4
181.38647	11.5
183.13959	13.1
261.22284	18.6
279.23361	15.0
353.22491	13.4
353.26743	100.0
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	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.01869	3.6
55.05298	0.8
55.05524	16.2
57.03430	5.1
57.07090	1.0
57.77357	0.7
67.05180	1.3
67.05511	23.6
69.07070	16.9
71.00320	0.6
71.04961	0.9
73.02931	0.9
79.05501	7.1
81.06609	1.3
81.07065	34.7
83.04963	1.1
83.08617	8.2
90.10583	0.7
91.05468	3.5
93.07034	8.3
95.08607	25.9
97.10155	4.1
100.43725	1.0
102.53961	0.9
105.07043	1.3
107.08559	6.2
109.10170	10.7
119.08551	1.7
121.10156	6.4
123.11695	1.0
124.98161	0.8
135.11705	1.9
163.14810	1.2
174.04805	0.8
176.98579	0.8
226.91982	0.8
261.22122	1.7
335.12909	0.9
353.26859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11272	1.1
69.07072	30.8
72.08147	2.9
73.04035	1.1
73.06544	7.3
76.30296	1.2
81.03416	1.3
84.12496	1.2
113.06017	9.7
113.10781	2.2
114.09158	18.2
116.84921	1.2
121.10143	2.4
141.06046	1.3
147.04434	1.8
147.88589	1.2
149.09608	5.6
150.40961	1.2
156.11354	2.8
167.07066	2.4
170.09552	1.7
181.12245	26.1
191.07069	8.4
199.52408	1.4
207.06345	1.6
212.14015	1.5
220.16977	9.1
233.09483	2.7
237.19800	1.5
261.09137	5.4
265.08594	2.1
278.09485	2.1
289.08743	11.0
290.09308	2.3
293.11658	1.7
306.08835	2.9
311.23291	4.9
321.11115	13.5
337.14087	1.4
339.14206	1.6
344.21237	1.6
353.10138	4.4
353.13831	21.7
353.25491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18014	0.5
56.67659	0.4
58.38591	0.4
67.05524	0.6
72.04508	2.0
72.08149	3.4
75.60989	0.4
84.05632	8.7
85.21854	0.6
93.07049	0.6
93.39939	0.5
95.28641	0.4
109.10133	0.5
114.09178	18.6
138.10266	2.5
163.03897	1.9
176.96890	0.5
186.09103	2.8
190.60353	0.4
197.13989	34.1
218.14088	1.0
240.17061	4.5
294.21768	2.7
295.22781	0.5
344.19742	0.5
344.68106	0.6
353.25476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.23
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09322	0.5
72.38526	0.6
73.95763	0.5
82.50465	0.6
83.57661	0.5
93.31271	0.5
97.06499	0.7
103.95018	0.5
105.74809	0.5
113.12382	0.6
309.22980	0.6
317.45508	0.5
353.22977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00196	0.3
52.25275	0.3
69.07072	0.4
70.06605	0.4
72.08164	4.7
77.82001	0.3
84.05647	7.2
86.06052	2.6
104.72440	0.4
121.10126	0.4
128.10725	24.9
138.10269	3.6
150.61824	0.4
160.07668	0.4
163.03896	0.8
182.69304	0.4
186.09134	0.9
192.07883	0.5
197.13885	0.4
208.14340	0.4
211.15556	35.5
218.14162	0.7
226.15511	5.2
278.18619	0.8
280.20273	3.6
297.22876	0.8
342.83731	0.4
353.25473	100.0
359.52811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93250	0.8
60.14806	0.9
64.22585	1.0
67.05515	2.0
81.07055	2.3
84.06493	0.9
95.08624	1.2
97.06528	2.1
105.07073	1.0
107.04945	1.7
107.08643	1.5
109.10173	2.1
131.04924	2.4
167.07063	4.2
172.72462	1.0
191.07053	14.2
199.07689	1.2
229.08540	1.1
233.09647	6.6
243.08084	1.0
257.05835	1.3
261.09195	7.9
274.06250	1.5
275.10510	1.2
278.09369	2.5
288.07977	1.6
289.08527	16.1
290.09430	5.1
293.11737	2.1
306.08887	4.7
307.09766	1.5
321.11206	19.9
322.11932	1.1
335.21896	15.1
338.11475	1.1
353.13763	29.4
353.22968	100.0
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
57.03425	0.4
67.05513	1.2
69.07081	1.0
71.08632	0.7
79.05508	0.6
81.07097	4.1
83.05003	0.5
83.08624	0.9
91.05457	0.7
93.07026	0.7
95.08603	1.0
99.08081	0.6
104.07973	0.6
105.06970	0.5
107.08572	0.6
107.44305	0.5
119.08578	0.7
121.10119	0.8
131.07281	0.5
131.08589	0.7
169.97177	0.5
173.02435	0.5
317.21182	1.2
321.11264	0.6
329.75873	0.5
330.16809	2.3
335.21957	4.3
353.22989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00850	0.5
51.03949	0.5
54.41576	0.7
72.04487	0.8
72.08148	1.2
81.03413	0.8
81.34765	0.7
84.05630	69.1
86.06068	32.8
86.06592	0.9
95.83123	0.8
108.96824	0.6
114.09155	4.9
115.08728	0.6
119.22088	0.6
128.07071	9.4
136.06178	0.7
171.40146	0.6
208.14458	4.4
226.15494	100.0
268.16626	0.8
352.77466	0.7
353.14172	1.2
353.18356	1.4
353.21777	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10789	0.7
58.99952	0.6
60.05659	24.8
61.37380	0.6
67.05473	0.6
70.06598	58.5
72.05656	0.7
82.06580	0.8
93.07033	2.6
95.08662	0.7
102.06665	1.5
107.08575	0.9
108.08089	0.8
109.10133	5.7
110.07142	1.4
112.07607	32.7
117.84851	0.7
119.08585	5.9
121.10165	1.4
125.09499	6.1
135.08090	1.1
136.11221	1.6
137.09598	3.5
147.08063	17.2
164.10718	10.0
165.09099	2.6
180.14949	1.1
182.11783	18.9
206.12936	1.7
208.36256	0.8
224.13927	21.8
242.14981	53.0
252.14816	0.9
284.16028	3.7
309.77231	0.7
353.21832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83285	0.4
54.34974	0.5
66.40327	0.6
66.76499	0.5
68.67305	0.6
69.54020	0.5
70.06593	0.8
72.04517	5.0
72.08160	9.6
76.16328	0.5
89.03906	1.3
93.57698	0.6
96.50829	0.5
96.89335	0.6
113.10779	1.2
114.09167	33.1
117.03436	0.7
134.09648	2.5
156.11362	1.0
162.09145	1.1
176.11729	4.2
187.21286	0.6
196.51352	0.6
197.14024	2.1
203.10484	0.6
204.11324	29.4
204.13277	1.1
218.63475	0.6
222.12402	4.1
223.15535	0.9
236.16325	1.3
258.16098	2.8
261.17099	2.5
262.18015	0.6
275.18738	1.1
289.20157	7.0
299.18909	0.8
317.19711	31.1
335.20761	100.0
353.21796	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	353.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31886	0.4
60.24775	0.4
72.04521	1.0
72.08144	2.8
84.05640	6.2
99.07941	0.9
114.09177	19.7
114.41106	0.5
138.10284	2.1
149.00580	0.6
194.12764	0.6
197.13988	31.2
222.12373	0.6
240.13419	3.9
289.20355	0.7
294.18146	1.0
297.88190	0.5
309.22681	0.7
335.20825	3.2
353.21841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84491	1.1
60.26575	1.5
69.07067	6.0
70.06577	1.6
72.04488	1.3
72.08143	5.9
84.05634	63.3
84.08136	2.1
86.06075	23.1
93.07042	1.5
103.36982	1.3
107.04956	1.8
114.09190	20.9
115.08687	1.6
128.07071	3.3
143.11806	1.6
143.49654	1.5
161.06024	2.3
163.12263	1.4
167.07040	3.4
184.07324	1.6
191.07013	2.4
197.13979	2.0
208.14456	5.4
221.13951	39.6
226.15514	100.0
233.09650	3.1
260.08411	1.8
263.06955	1.5
267.14520	32.4
268.16611	1.9
289.08847	1.9
289.20200	3.3
317.19803	7.1
321.11282	6.7
335.20715	17.5
353.13940	7.4
353.21902	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.7
70.06586	3.5
72.04504	3.7
72.08157	6.4
75.77193	0.6
81.07035	2.3
84.08142	1.2
87.14465	0.5
89.60273	0.5
93.07043	1.3
95.08601	3.1
100.05100	1.0
107.08601	1.2
112.35521	0.6
113.05912	0.7
114.09169	34.2
114.70409	0.5
119.08626	0.6
121.10257	0.6
123.08058	2.2
133.10136	2.2
137.04646	0.9
138.10249	2.6
141.09033	0.9
143.11797	3.8
145.10165	0.9
147.08047	0.6
152.08110	0.6
154.09734	6.4
159.11830	0.6
162.09128	0.6
162.48523	0.5
163.07571	0.6
167.07076	1.0
171.12320	0.7
186.09056	0.7
191.10594	0.7
196.10811	1.0
197.13815	1.3
204.11401	0.8
211.11975	0.9
213.13472	55.7
226.15425	0.6
237.17067	0.8
242.14992	3.1
251.18700	11.1
261.17059	0.9
279.18253	2.8
292.02274	0.5
317.20023	1.2
335.20752	7.0
353.21832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07875	0.2
60.04521	0.2
63.64450	0.2
70.06586	0.2
72.04518	1.5
72.08160	3.2
84.05122	0.2
84.05630	7.1
91.05499	0.3
96.05558	0.2
98.07169	1.1
99.07943	0.9
102.17120	0.2
112.08684	0.7
113.09495	0.9
114.09171	16.6
119.04937	0.7
126.10290	0.7
133.04115	0.2
138.10321	1.7
147.04424	2.7
151.63763	0.2
157.94849	0.2
176.11787	0.4
183.12399	0.2
194.12804	0.3
197.13982	35.3
198.14757	0.3
209.13934	0.2
222.12398	1.9
240.13400	3.2
276.17041	0.2
289.20273	0.4
291.21774	1.6
294.18112	1.8
304.42291	0.2
307.21158	0.5
309.22784	0.4
325.22400	0.4
335.20728	4.2
353.21826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06667	1.4
66.81728	1.5
69.03424	2.2
69.07076	15.0
70.06599	6.3
72.08163	32.4
84.08155	3.3
85.02917	7.7
87.00819	1.7
87.08108	8.8
89.10783	6.1
97.02852	1.8
100.07620	24.7
101.07948	6.0
105.01877	5.4
109.02909	2.0
114.10306	1.6
115.08722	1.6
116.31505	1.7
119.04921	3.0
123.04427	7.6
127.03917	2.7
130.04979	1.4
138.09160	3.3
145.01733	2.0
145.02850	9.5
147.04419	6.2
155.11789	3.0
161.06044	1.8
163.03903	80.9
175.03909	63.7
176.04666	7.9
177.05493	19.5
187.03873	3.2
201.05528	17.6
202.94536	1.6
203.07076	1.6
207.06503	1.9
219.06531	57.4
233.04451	3.4
249.07549	2.6
263.13947	3.2
265.07062	23.3
317.14993	19.7
335.16199	1.8
346.85251	3.3
351.53336	1.5
353.12723	3.4
353.17166	100.0
353.22491	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	353.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
60.62630	1.2
69.03415	1.9
69.07080	11.6
70.06591	4.6
72.04483	1.2
72.08157	29.3
81.03390	1.3
84.08130	2.9
84.79258	1.4
85.02900	7.1
87.00798	1.5
87.08114	10.0
89.10787	5.7
97.02870	2.4
98.06059	2.1
100.07614	8.7
100.08660	1.2
101.07912	2.8
101.10818	1.6
105.01869	2.2
105.09161	2.4
109.02860	1.7
114.09198	1.3
114.10278	4.9
115.08668	1.8
119.04913	2.9
123.04419	1.6
127.03914	6.1
135.04396	1.5
138.09059	1.5
145.02829	9.1
147.04408	7.1
163.03874	33.8
175.03908	70.0
176.04710	6.0
177.05437	17.7
185.07866	1.1
201.05505	21.7
219.06519	63.6
233.04475	2.1
263.13776	1.7
265.07062	30.8
276.12402	1.6
281.06046	1.4
293.15390	1.3
317.14798	5.0
335.21005	1.6
336.13986	1.4
345.23514	1.2
353.17145	100.0
353.22263	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	353.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44316	0.2
57.95677	0.3
62.62226	0.2
67.81620	0.3
89.01746	0.3
91.05483	31.7
108.01270	1.9
130.92429	0.3
156.08392	0.3
165.36560	0.3
173.89511	0.3
183.03552	2.1
184.04373	0.7
185.05168	4.9
201.04579	0.4
261.08221	1.9
262.09045	19.5
293.07397	0.4
294.08032	3.5
337.85492	0.3
353.14536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1384
Annotation	Bolucarpan D
Peak:m/z	Relative Intensity
55.47127	0.8
56.27696	1.0
76.45211	1.0
96.31867	0.9
105.07008	2.0
107.04952	6.6
107.81808	1.0
108.02860	0.9
118.04114	1.5
131.04907	10.0
133.06558	1.3
147.04346	1.1
149.10960	1.0
159.08037	4.1
161.05989	5.4
167.07054	21.4
171.08029	1.7
175.07518	1.4
176.04695	6.9
190.07764	1.9
191.07045	51.5
191.08769	2.1
195.95407	1.0
199.07573	6.9
203.08484	1.8
205.10225	1.4
205.28087	1.1
215.08533	5.8
218.07237	2.6
224.23074	1.0
229.06477	2.0
231.08089	1.6
232.08788	4.2
233.09610	25.3
243.08037	5.9
246.06744	6.2
250.09889	1.9
257.05975	5.8
259.07538	2.4
260.08310	6.6
261.09109	36.3
262.09824	2.0
263.07004	2.2
265.12210	1.5
274.06271	6.3
275.06976	1.7
275.10861	1.2
276.07986	1.7
277.08499	1.7
278.09445	13.8
288.07877	4.2
289.08557	49.4
290.09363	18.9
291.06277	1.7
291.10300	2.4
292.10861	1.3
293.11713	10.3
303.10220	1.6
306.08893	18.7
307.09708	5.2
321.11243	84.1
322.11990	4.1
323.09058	1.8
353.13858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1386
Annotation	Bolucarpan D
Peak:m/z	Relative Intensity
50.77742	1.7
50.91086	1.6
62.13855	1.8
75.10290	1.7
76.29509	1.9
81.07072	1.9
90.46965	2.1
104.45470	1.9
105.07029	3.0
107.05008	6.8
107.74682	1.8
122.01498	2.2
128.47595	1.9
129.29536	2.2
131.04935	13.4
146.54901	2.0
147.04303	2.7
147.72607	2.2
148.05228	3.2
152.72903	2.1
161.22166	2.1
163.15009	2.1
167.07034	18.2
176.04703	3.2
191.07033	49.9
199.07564	5.0
199.16930	2.1
215.08534	3.8
218.07248	3.1
229.06448	2.3
232.08888	2.9
233.09595	29.4
235.07573	2.2
243.08136	3.7
257.05994	2.5
260.08292	4.3
261.09094	37.2
263.07074	2.6
275.07211	2.3
275.10428	3.0
278.09335	14.9
288.08011	3.6
289.08636	64.1
290.09439	18.1
291.06650	2.8
291.10010	2.6
292.10709	2.0
293.11783	12.7
303.10062	2.7
306.08835	21.2
307.09845	2.7
321.11212	81.3
335.21915	10.2
353.09595	3.5
353.13843	100.0
353.22977	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.7
55.01884	0.9
55.05523	9.2
57.07071	2.4
61.02930	0.7
61.34368	0.5
62.99088	0.8
65.68193	0.4
66.19421	0.4
67.05510	5.7
67.59563	0.4
68.12598	0.5
68.99801	0.9
69.03443	3.5
69.07076	100.0
73.02917	2.1
73.06561	1.8
79.05498	1.9
81.03422	0.8
81.07063	4.3
83.05009	0.7
83.08613	1.7
85.02911	0.6
87.00845	7.7
87.02696	1.0
89.02423	2.0
91.05466	1.9
93.07052	2.3
95.04957	0.6
95.08620	3.5
97.06551	6.6
99.08061	0.7
102.98536	3.3
105.01874	0.8
105.07055	2.3
107.08623	1.2
109.02958	0.5
109.10200	3.0
111.11736	7.3
119.08572	3.3
120.99571	25.8
121.06559	0.5
121.10171	2.7
123.11771	0.5
126.16051	0.5
129.01842	4.5
131.03444	1.1
131.08607	0.9
131.49937	0.5
133.01340	4.8
133.10179	2.1
135.08080	0.9
135.11708	0.6
136.06230	0.8
137.04776	0.5
143.08818	1.0
147.02943	0.7
147.08084	0.8
147.11740	1.0
151.07600	0.6
157.01297	4.0
161.09970	7.5
163.11203	0.6
171.11700	0.6
175.02396	8.7
177.05458	0.6
193.05086	0.7
203.03493	0.5
203.17929	1.8
206.99619	4.4
219.10201	0.9
221.08209	0.7
229.08690	0.6
231.10590	0.9
231.17467	0.6
243.91685	0.5
245.08185	0.7
249.11462	4.6
249.18582	0.8
267.12582	10.5
289.10577	5.1
293.21161	0.8
335.11545	29.9
335.22269	0.8
353.12537	20.5
353.19940	1.6
353.23529	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	352.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57818	0.6
60.05642	0.6
70.06596	1.4
72.08160	39.0
84.04530	1.1
84.08128	1.1
89.10777	1.2
97.07648	3.1
98.06046	4.6
101.19400	0.7
105.03356	0.9
107.92115	0.7
114.10292	51.3
114.11083	1.9
115.08694	14.9
115.29098	0.8
123.04436	1.2
131.12985	0.7
135.04420	1.1
145.02843	1.2
146.05969	0.7
147.04422	1.6
152.07077	10.2
153.47679	0.7
162.05482	9.1
163.03920	8.2
177.05467	1.5
178.05783	1.3
180.06580	5.7
193.09749	1.7
194.08131	37.8
203.08229	0.8
204.06561	2.8
221.09230	9.2
222.07550	1.4
265.15579	0.9
275.13925	3.3
292.16528	8.8
293.14984	6.6
307.17670	0.9
309.86530	0.7
310.17706	1.5
320.63541	0.7
335.17249	6.5
352.19818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.5
67.05514	14.8
69.03436	2.4
69.07069	4.6
71.04991	12.4
72.08179	1.6
74.00650	7.7
76.02237	4.9
79.05489	6.9
81.03477	1.3
81.07054	28.7
83.04987	5.9
83.08640	2.5
84.08185	1.3
84.81037	1.1
85.02905	8.7
85.06544	1.9
87.00854	1.9
87.02686	1.3
87.04485	1.9
88.03996	5.4
90.30869	1.1
91.05463	4.6
92.18439	1.3
93.07043	14.7
95.04887	1.1
95.08633	11.5
97.02905	2.2
97.06525	24.7
97.10172	7.4
99.02699	1.6
99.04408	1.5
99.08065	1.4
105.01887	5.9
105.07018	2.8
107.08595	10.7
109.02905	2.1
109.06560	1.2
109.10156	5.4
111.02662	1.5
111.08106	2.4
117.07053	4.7
119.08581	2.1
120.01156	15.9
120.08081	2.1
121.10131	5.2
122.02726	15.2
123.11636	2.0
125.04212	1.9
125.09602	9.0
127.03934	8.4
128.64450	1.3
131.08583	5.5
133.10101	9.0
135.08049	2.1
135.11703	14.1
147.11668	10.1
149.13248	10.4
157.47499	1.1
159.11653	13.8
165.12767	1.9
177.12769	13.6
182.15390	2.3
183.14030	1.3
194.15321	2.8
195.13814	29.5
212.16443	2.9
213.12817	1.5
213.14854	44.9
223.11374	1.2
244.13652	1.4
249.05901	1.6
253.12611	1.2
255.40915	1.1
257.67776	1.2
261.16168	1.3
270.15161	2.4
286.14777	2.1
288.16229	5.3
298.14713	5.0
316.15839	10.9
317.14072	10.6
334.16815	100.0
352.17923	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	352.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67058	1.4
53.03947	2.1
55.01863	2.4
57.03442	2.8
60.04522	8.4
61.02920	3.2
63.03353	1.5
69.03433	23.6
69.07072	63.9
70.06590	2.1
71.04987	3.5
71.56413	1.6
72.08155	28.7
73.02905	3.3
75.64309	1.8
81.03421	16.1
81.07079	3.3
83.11914	1.7
85.02905	100.0
85.06544	3.0
86.09653	2.2
87.00825	35.1
87.05587	10.3
93.07051	8.1
95.04974	1.9
97.02892	57.7
97.06526	2.0
99.04434	14.8
105.01868	90.6
109.02876	26.4
109.06532	2.3
111.08073	11.2
114.09138	10.8
120.08098	10.9
127.03910	82.0
129.01794	2.4
135.08060	2.8
145.04942	39.5
147.08043	4.3
149.09624	2.2
153.09116	8.4
159.02858	20.7
159.11284	62.9
166.08673	9.9
177.09106	7.8
187.10783	27.3
189.03995	2.5
195.10095	16.6
231.04961	38.0
249.06042	26.8
281.10156	3.0
299.11044	6.4
334.17145	2.2
352.10471	4.0
352.15964	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.9
55.01876	5.4
55.05519	1.0
57.03441	2.1
61.02928	4.7
66.10632	0.9
67.05509	1.8
69.03437	25.3
69.07076	95.5
71.05000	9.6
72.08160	2.1
73.02923	8.2
74.00674	1.1
79.05476	1.4
80.32536	1.0
81.03440	14.0
81.07079	9.1
83.04970	2.0
83.08631	1.3
85.02914	89.5
86.09702	7.2
87.00838	38.7
87.04475	1.5
93.07030	4.7
95.08597	4.9
97.02900	67.3
97.03532	2.4
97.06556	3.8
99.04460	17.7
100.52332	1.1
105.01875	100.0
105.07011	1.1
107.08614	2.1
108.04475	1.8
109.02891	23.3
111.08087	1.2
119.08544	1.1
120.01160	1.0
121.10165	1.6
122.02735	4.2
125.09676	1.2
126.05521	1.4
127.03922	92.4
129.01836	4.3
131.08556	1.3
133.10153	1.1
135.08084	1.7
135.11684	2.0
136.06215	1.3
145.04964	48.4
147.02878	2.0
147.11650	1.4
149.13260	2.4
159.02910	15.8
159.11687	4.3
165.12759	1.4
168.14034	1.0
177.09026	1.8
177.12785	2.1
186.09229	1.8
189.03900	1.6
195.13817	8.5
213.03943	2.1
213.14830	2.3
217.39151	1.1
231.05008	46.5
242.11975	1.1
248.16385	1.7
249.06038	42.2
284.09729	4.4
288.19507	1.3
299.11133	1.9
334.16879	15.1
334.20392	1.7
352.17825	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	352.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01647	0.4
51.57526	0.4
56.05033	1.1
60.04523	1.1
66.49610	0.5
70.06596	4.5
72.08164	5.6
84.04510	0.8
85.02886	0.7
90.12297	0.5
90.33665	0.5
99.00832	3.8
110.05991	0.6
114.10300	0.8
119.62230	0.6
123.04398	2.3
131.03378	1.1
133.06500	0.9
135.04468	0.7
147.04387	1.0
161.06000	4.0
163.03969	4.3
175.03931	4.3
177.05389	0.9
178.08681	0.8
179.06949	1.1
185.06012	0.6
189.05447	1.3
199.03766	0.8
201.04019	0.6
201.05476	8.1
203.03368	2.6
205.05016	4.4
205.06755	0.6
207.06512	9.2
213.01859	0.7
213.05409	2.3
215.03418	8.1
215.06659	0.6
217.04939	6.0
219.06517	1.2
220.64984	0.5
224.09178	7.3
225.55740	0.5
229.04947	3.6
231.06497	0.9
233.04405	2.2
233.06763	0.7
241.04912	0.9
243.02895	5.6
245.04462	22.7
247.05980	3.0
248.08842	0.6
257.04422	11.3
259.05957	2.9
261.03976	4.0
263.05542	4.4
264.03329	2.3
271.05991	4.0
275.05371	0.8
276.08688	2.6
285.03925	2.3
293.06543	0.6
305.06659	2.2
310.09027	0.8
334.09161	2.6
352.10208	100.0
352.26605	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	352.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.7
70.06597	2.5
72.08129	0.6
99.00816	3.8
101.02370	0.5
105.07034	0.4
110.06026	0.5
111.14752	0.4
131.03427	0.7
133.06448	0.4
147.04425	1.7
161.05986	3.6
163.03943	0.4
170.71872	0.3
171.04390	0.4
175.03879	4.8
177.05522	0.6
179.07056	0.8
185.05995	0.4
187.04008	0.4
189.05496	1.6
193.04987	0.7
195.06473	0.4
199.04013	0.7
201.05490	7.4
203.03372	2.6
203.07002	0.5
205.04958	4.6
206.08163	0.4
207.06519	8.3
213.01923	0.5
213.05484	1.4
215.03394	9.6
217.04965	6.0
219.06538	2.7
224.09161	8.9
227.03409	0.4
229.04977	3.5
231.06461	0.6
233.04343	0.8
235.06050	1.6
241.04921	0.8
243.02899	6.3
243.06609	0.5
245.04466	24.1
247.06027	3.6
248.09222	1.3
256.06046	0.4
257.04446	11.2
259.06110	2.6
259.19128	0.4
260.05560	0.7
261.03995	2.8
261.07541	0.4
263.05530	4.9
271.05957	4.5
273.03833	0.7
275.05484	1.4
276.08667	2.1
285.03934	2.4
292.08109	0.5
302.06726	0.5
305.06516	0.8
310.09375	0.7
316.08148	0.5
317.06409	0.5
324.10919	0.5
334.09317	2.0
352.10278	100.0
371.21878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.4
57.55586	0.3
65.35123	0.3
70.06591	3.2
70.65578	0.4
72.08145	0.3
81.88666	0.3
84.54803	0.3
84.55305	0.3
95.04877	0.3
95.06081	1.6
99.00826	3.5
103.98150	0.3
113.07129	0.4
114.61674	0.4
122.37077	0.3
123.04412	0.8
131.03380	0.6
133.06497	0.7
136.06201	1.4
141.01823	0.4
147.04405	0.7
161.05997	3.0
163.03857	0.6
164.04626	0.4
173.05925	0.6
175.03905	4.0
177.05493	0.7
178.08539	0.6
179.07031	2.0
185.05888	0.5
187.03914	0.7
189.05479	1.3
191.07042	0.5
193.04913	0.6
195.03003	0.4
195.06599	0.8
199.03874	0.5
201.05475	7.4
203.03441	2.7
205.04962	4.7
206.08096	0.4
207.06520	9.7
213.05392	1.6
215.03378	8.8
215.06789	0.4
217.04941	5.4
219.06543	2.9
220.11908	2.2
222.07587	0.4
224.09155	8.3
227.03268	0.4
229.00275	0.4
229.04901	3.3
230.08052	0.4
231.02991	0.7
231.06488	1.4
233.04501	0.8
235.06047	0.7
241.04924	1.8
243.02885	7.0
245.04434	24.2
245.77736	0.4
247.06009	2.7
248.09084	0.6
255.02950	0.8
256.05972	0.5
257.04431	11.7
259.05991	3.6
260.05493	0.7
261.03870	3.0
261.07623	0.6
263.05524	6.5
264.03226	0.7
264.08618	0.5
271.05975	5.5
274.07248	0.6
275.05481	0.8
276.08569	0.8
285.03955	2.2
293.06396	0.7
293.18442	0.7
303.04962	0.4
305.06390	1.4
310.09070	0.6
316.08011	0.5
317.06644	0.4
334.09134	3.2
352.10245	100.0
352.26031	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	2beta,3beta,4beta-Trihydroxypregnan-16-one
Peak:m/z	Relative Intensity
55.01878	2.3
55.05517	9.6
57.03437	2.7
57.07077	2.2
57.46321	1.0
67.05508	23.8
67.19814	1.2
69.07070	11.2
71.08638	20.8
79.05511	12.7
81.03405	1.6
81.07066	25.7
83.05000	2.7
83.08649	9.2
91.05478	7.9
93.07056	22.4
95.04951	4.9
95.08614	17.8
97.06551	2.9
99.08092	13.2
105.07047	13.9
107.08607	15.9
109.06544	2.0
109.10154	6.2
111.08113	1.9
117.07021	2.4
119.08563	11.7
121.10139	8.0
123.08044	1.6
125.09645	1.4
131.08536	1.6
133.10168	9.9
135.07971	1.3
135.11731	8.7
139.11194	1.4
143.08627	1.6
145.05466	1.4
145.10127	5.0
147.11676	2.8
149.13284	1.9
151.11188	8.7
159.11700	2.3
161.13228	11.1
163.11191	6.3
171.11636	2.3
173.13307	1.6
175.11154	1.2
175.14856	2.5
179.14282	6.0
231.21150	1.9
231.69473	1.2
241.19521	2.8
259.20636	10.7
264.04178	1.2
277.21619	20.6
289.21399	4.6
333.24335	2.3
351.21350	30.2
351.25339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.2
57.03441	5.9
63.67398	1.1
67.05515	20.2
69.07076	10.0
71.05007	1.2
71.08640	45.4
77.85908	1.1
79.05072	1.1
79.05502	20.4
81.03396	1.1
81.07072	27.5
83.04976	5.0
83.08630	8.2
91.05500	14.4
93.07047	28.6
95.04942	4.5
95.08614	20.3
97.06551	8.8
97.10131	1.6
97.25087	1.1
99.08103	18.2
105.07050	11.8
107.04951	5.4
107.08600	18.2
109.10165	9.6
111.08072	2.0
113.09638	2.2
117.07027	1.2
119.08604	11.0
121.10154	13.9
131.08562	2.7
133.10101	8.6
135.11694	17.7
137.09621	2.1
141.09151	1.7
145.10130	1.9
147.11676	1.7
149.13277	2.8
151.11203	15.7
153.12856	1.6
159.11723	2.3
161.13283	9.3
163.11195	2.0
165.12761	1.6
171.11621	1.4
177.12749	1.9
179.14311	55.2
189.12708	2.0
190.17032	1.2
199.83612	1.3
221.34525	1.1
235.16966	2.5
277.21597	32.2
351.25317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08702	4.5
51.02576	4.5
53.37346	4.6
55.05525	7.1
67.05508	23.9
69.07074	7.2
70.30092	5.2
79.05484	22.2
81.07059	29.0
83.08617	6.0
91.05485	19.0
91.41628	6.3
93.07048	29.4
94.37132	5.3
95.08614	29.7
97.06525	8.6
105.07045	13.7
107.08590	24.4
109.10140	8.2
112.50269	5.8
119.08597	24.6
121.10120	7.0
131.08588	6.6
133.10104	12.9
147.11702	9.4
161.13283	8.6
169.74812	5.4
183.88858	5.6
224.48145	7.0
241.19603	8.5
259.20630	32.6
277.21689	24.4
351.12259	10.3
351.21494	20.7
351.25351	100.0
357.08511	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81400	1.8
55.05513	10.1
57.03456	13.5
67.05515	27.7
69.07085	13.1
71.08274	2.9
71.08643	57.5
79.05513	15.3
81.03413	2.0
81.07062	22.4
83.04984	3.4
83.08606	6.4
91.05507	15.2
92.18397	2.1
93.07051	26.6
95.04959	3.9
95.08617	14.4
97.06551	4.0
97.10185	4.0
99.08092	27.4
105.07041	15.1
107.04950	7.2
107.08605	14.8
108.42461	1.6
109.10169	8.5
110.53287	2.2
111.08083	3.3
117.07014	3.0
119.08580	11.2
121.10139	6.9
131.08585	3.2
133.10167	13.0
135.11684	10.2
137.09627	1.9
147.11682	3.2
149.13254	4.4
151.11192	26.7
159.11697	2.7
161.13283	12.9
163.11165	8.5
167.10683	1.9
173.13226	2.0
179.14308	19.5
181.10918	1.9
185.13228	2.6
185.16675	1.9
189.12802	2.6
204.15070	2.5
236.96689	1.9
241.19524	3.9
259.20569	2.6
277.21643	49.9
295.22787	4.0
351.25320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.2
57.03443	2.3
57.07074	2.5
61.85532	1.2
67.05503	14.8
68.73073	1.5
69.07086	10.8
71.04985	1.6
79.05505	26.0
81.07063	24.5
81.40048	1.4
83.08631	2.7
83.49672	1.6
85.06569	2.0
91.05482	18.5
93.07053	36.1
95.04950	2.3
95.08605	18.9
97.06550	2.1
99.08112	1.8
105.07035	26.7
107.08595	26.1
109.10153	7.0
117.07031	3.2
119.08594	26.8
120.44281	1.4
120.62580	1.4
121.10133	24.7
128.69595	1.3
129.07037	1.8
131.08546	8.0
133.10133	32.4
135.11696	22.7
143.08563	6.9
145.10143	10.0
147.11700	27.2
149.13252	13.1
157.10086	8.6
159.11678	11.5
161.13252	19.3
163.14774	5.6
171.11693	6.9
173.13232	5.9
175.14864	10.5
185.13240	7.6
199.14774	2.9
231.17599	2.1
241.19597	17.6
259.20593	43.7
277.21564	3.3
333.24332	5.6
351.12619	10.2
351.25308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87751	1.6
52.93387	1.6
53.03970	4.4
55.01866	2.2
55.05515	7.1
57.03433	8.7
57.07080	3.5
62.25618	2.0
67.05518	30.2
69.07076	25.0
79.05495	14.6
81.03047	2.1
81.03426	26.8
81.07066	31.6
81.11849	1.8
83.04987	10.4
83.08620	4.3
91.05464	11.4
93.07042	25.1
95.04980	28.3
95.08598	11.9
97.06522	3.3
97.10151	3.2
105.07037	9.9
107.08622	18.7
109.06519	8.2
109.10199	13.3
112.41397	1.7
119.08603	4.4
121.10139	3.8
125.09637	8.5
133.10156	12.6
135.11719	2.9
147.11691	2.7
151.11168	21.9
161.13234	3.6
165.12758	8.6
173.57867	2.1
180.65210	2.1
207.13690	2.6
231.20985	2.6
241.19427	2.1
277.21658	41.4
351.25299	100.0
371.37613	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.4
57.03426	3.3
64.09484	3.0
67.05508	26.6
67.10428	3.1
69.07055	14.5
70.99532	3.2
71.08623	15.9
71.46493	3.6
79.05500	7.8
81.07071	35.5
83.08635	7.4
91.05479	14.6
93.07036	31.5
95.04984	3.8
95.08606	19.5
99.08077	3.7
105.07028	7.0
106.32487	3.7
107.08590	17.0
109.10148	7.6
119.08563	22.0
121.10155	8.6
133.10124	14.4
135.11708	8.7
145.10162	4.7
147.11673	12.8
148.94379	3.2
151.11147	6.9
154.24838	3.9
161.13278	6.9
175.14865	3.4
177.70212	3.8
259.20612	20.6
277.21622	20.2
318.42404	3.9
351.12277	14.3
351.21399	25.6
351.25299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98759	0.7
53.03959	0.7
55.05506	5.9
57.03425	3.4
57.07068	1.3
67.05514	18.1
69.07056	6.9
71.04978	1.2
76.47630	0.8
79.05495	22.3
81.06619	0.9
81.07064	23.9
83.08605	5.6
85.06540	2.0
91.05477	19.4
93.06451	1.4
93.07044	40.6
95.04928	1.7
95.08602	21.8
97.06519	2.1
97.10205	0.9
98.27193	0.8
99.08036	1.1
105.07028	30.4
107.08599	29.3
109.10138	6.7
117.07010	7.0
119.08587	30.8
119.09383	1.1
121.10142	28.3
123.11671	2.0
129.06976	4.1
131.08580	11.5
133.10126	28.2
135.11688	22.2
143.08556	4.6
145.10124	14.2
147.11682	27.4
149.09644	1.2
149.13254	13.4
157.10167	7.0
159.11699	10.0
161.09631	1.5
161.13243	23.0
163.14780	1.5
171.11673	9.3
173.13251	7.9
175.14821	10.3
185.13245	8.0
187.14838	1.5
189.12874	1.0
189.16405	1.0
199.14763	4.9
203.14383	1.1
217.19376	1.6
231.21034	2.0
241.19473	16.1
247.21609	0.8
259.20566	47.3
277.21619	4.0
319.09302	1.0
333.24194	4.3
351.12253	3.1
351.21411	8.9
351.25266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05520	8.7
57.03434	6.8
57.07072	2.5
67.05512	23.7
69.07076	12.8
71.04980	1.1
71.08641	10.7
79.05505	14.3
81.03493	1.0
81.07064	31.4
83.04986	2.4
83.08611	7.2
83.54047	1.0
85.06542	1.3
91.05492	9.3
93.07054	21.7
95.04976	1.9
95.08621	23.6
97.06520	4.5
97.10168	2.0
99.08096	5.9
105.07044	17.4
107.08605	15.0
109.06503	2.0
109.10181	9.1
111.04440	4.3
111.08068	4.7
117.05445	1.7
117.06973	1.6
119.08582	21.9
121.10162	9.3
123.11687	2.5
131.08557	2.3
133.10129	9.8
135.11697	9.4
137.05995	22.8
137.09645	1.3
137.13194	1.6
143.08607	2.2
145.10132	2.4
147.11700	13.5
149.09625	2.2
149.13275	6.2
151.11166	6.2
157.10095	2.5
159.11722	2.5
159.69475	1.3
161.13309	12.6
163.11168	1.7
171.11687	1.7
173.13255	1.9
175.11166	1.3
175.14839	5.9
185.13281	5.7
199.14766	2.1
220.10254	1.2
231.17361	1.3
231.21091	1.7
241.19431	2.4
249.22217	2.1
259.08438	1.5
259.20602	11.8
277.18005	10.2
277.21616	14.7
291.10339	1.5
293.51355	1.2
295.19101	2.0
319.09613	1.5
351.12335	4.2
351.21570	9.6
351.25308	100.0
369.89011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97526	1.3
55.05498	6.6
57.07072	1.7
67.05515	19.3
68.85618	1.5
69.07055	8.1
69.23655	1.7
71.08614	6.8
77.69709	1.7
79.05511	21.1
81.07067	28.2
81.72919	1.9
83.08600	9.0
85.06445	1.8
89.30577	1.7
91.05485	18.8
93.07050	31.1
95.08614	17.2
97.33461	2.0
99.08085	3.7
105.07051	25.3
107.08599	29.3
109.10149	8.8
113.09692	2.0
117.06982	4.1
119.08604	28.2
121.10153	23.4
123.11701	2.3
128.03423	1.6
129.06973	3.9
131.08583	14.1
133.10138	33.4
135.11690	21.9
143.08536	8.5
145.10127	13.9
147.11688	27.2
149.13202	13.0
157.10072	6.6
159.11696	16.0
161.13283	22.8
163.14821	3.2
171.11679	10.1
173.13275	7.0
175.14827	10.7
185.13242	8.5
191.56209	2.0
199.14871	4.0
241.19566	19.3
247.07541	2.1
248.08321	2.4
259.07544	2.4
259.20575	46.2
273.09067	8.1
276.07706	7.4
277.21439	2.1
289.08597	3.2
290.09433	3.2
291.10187	3.9
304.07263	4.4
305.53995	1.8
319.09744	18.3
344.32028	2.1
351.12381	29.8
351.21460	11.1
351.25290	100.0
355.32626	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
55.05506	7.5
57.03430	6.3
59.95654	3.7
62.24701	3.8
64.43060	4.4
67.05515	33.4
69.07066	9.3
79.05499	19.2
81.07069	42.8
91.05471	6.1
92.19497	4.4
93.07047	18.9
93.34244	3.8
95.08611	31.1
107.08614	7.5
109.10104	9.5
119.08585	7.1
121.10165	7.3
135.11700	5.7
147.11678	6.9
148.54619	3.9
233.09503	4.6
319.09818	5.8
351.21439	8.2
351.25290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02497	0.5
55.05505	0.7
56.05047	0.5
66.93745	0.6
71.04984	0.6
79.05511	0.7
81.07034	1.0
82.02723	0.7
93.07079	0.9
95.04986	0.7
95.08602	0.7
98.06051	0.7
105.07055	0.7
107.08564	1.0
119.08624	0.8
120.08076	3.0
132.08017	0.7
136.07593	1.1
137.24683	0.6
148.07587	10.0
150.09166	1.1
162.09142	40.7
163.03851	0.8
166.08621	3.1
174.09140	1.4
176.10719	1.2
178.08621	6.6
180.10197	40.8
184.07373	1.2
186.09119	4.2
188.10681	8.7
192.10194	6.7
202.12245	0.9
204.10239	0.8
206.11771	1.2
216.13821	1.1
228.13846	3.9
232.17133	1.0
240.09657	0.7
242.15335	2.8
244.16988	3.2
248.16423	1.0
254.15414	4.7
260.16431	15.9
262.18024	14.6
268.60019	0.7
272.16452	18.3
274.18005	2.7
280.16904	1.0
288.19592	1.4
290.17508	60.1
296.18637	3.5
298.18015	11.3
308.18558	31.8
316.19135	9.5
333.21191	0.8
334.20105	57.3
351.22781	100.0
366.31729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10496	0.6
55.05520	16.3
56.01392	0.8
60.04519	4.5
70.06588	1.9
72.08161	35.6
79.05470	1.1
81.07053	0.9
87.35122	0.7
89.10800	16.3
91.05518	0.8
98.06059	100.0
111.83379	0.7
114.09145	6.9
115.08693	84.4
123.04465	1.0
135.08047	1.4
147.04407	3.8
149.05980	6.5
157.10046	1.1
158.70801	0.8
161.05954	8.7
173.13972	3.2
175.03900	3.6
176.04721	1.0
177.05417	1.3
179.07027	20.2
181.14430	1.1
185.09610	1.0
189.05481	18.3
203.10678	3.7
203.14326	1.4
205.12326	0.9
207.06572	1.3
231.10162	62.8
234.02901	0.8
302.17545	2.9
319.13156	0.8
319.20172	30.3
351.20316	7.2
351.23373	4.1
351.29465	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	351.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88089	3.2
55.01881	3.1
55.05518	4.5
57.03445	6.8
64.72369	2.8
67.05503	14.2
69.07076	13.1
73.42294	2.9
76.80019	2.8
79.05489	8.2
81.07059	38.2
83.04974	5.7
83.08627	4.9
91.05430	10.9
93.07047	15.5
95.08608	21.6
99.08112	3.9
105.07041	7.0
107.08590	21.1
109.06480	4.6
109.10191	5.1
111.04439	17.8
118.53554	3.3
119.08588	15.5
121.10145	13.6
123.08039	3.5
125.05981	3.7
133.10135	15.1
135.08109	3.6
135.11703	13.7
137.05986	100.0
145.10150	4.6
147.11682	17.0
159.11705	3.5
161.09741	3.2
161.13237	7.6
162.66423	3.0
163.11171	6.6
175.11192	3.9
231.08063	4.3
231.17445	3.7
248.08211	4.1
259.07538	3.5
259.20682	6.2
260.08255	3.8
263.10690	4.8
273.09070	14.2
276.07837	20.1
277.17996	42.3
277.21167	8.8
289.08469	4.2
290.09335	7.3
291.10217	13.1
295.19086	6.3
301.08450	4.4
304.07376	13.3
305.08194	6.3
319.09720	27.5
320.10376	6.8
351.12335	75.8
351.21555	60.0
351.25388	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.30112	0.5
51.23094	0.5
56.21937	0.5
59.49681	0.5
63.65038	0.6
67.05489	0.8
81.07044	1.0
93.82511	0.5
98.84635	0.6
132.85966	0.6
183.06561	0.8
262.45499	0.6
273.09018	0.6
333.16995	0.9
333.20383	11.1
351.12479	6.2
351.21420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.217
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
52.52897	0.4
53.90067	0.5
54.19400	0.5
55.01880	2.6
55.05524	4.8
57.03454	3.8
57.07099	1.6
61.71856	0.5
67.05518	11.2
69.07076	7.8
71.08642	5.7
74.65800	0.4
79.05515	7.2
81.07070	18.4
83.04971	2.2
83.08632	4.5
88.02237	0.6
91.05487	5.2
93.07058	11.5
95.04970	0.8
95.08611	13.0
97.06518	1.0
97.10201	1.0
99.08106	2.9
105.07047	7.3
107.08602	10.3
109.06522	6.1
109.10173	6.6
111.04446	13.3
111.08034	0.9
116.05335	2.6
117.07008	0.8
119.08572	8.6
121.10148	6.0
123.08040	1.1
123.11728	2.7
123.42015	0.5
125.05988	2.9
125.09657	0.8
129.07034	0.7
131.08586	2.9
133.10158	8.2
135.08081	1.3
135.11714	6.9
137.05992	100.0
137.09578	1.2
137.13284	0.9
143.08604	1.1
145.10129	2.8
147.08026	0.7
147.11678	8.2
149.09625	3.3
149.13261	3.7
151.07570	2.4
151.11200	2.6
157.10155	2.4
159.11720	1.0
161.09622	5.2
161.13243	4.9
163.11192	3.2
163.14836	1.2
165.09154	2.4
165.12794	2.0
171.11696	2.8
175.11214	4.7
175.14822	3.4
179.10703	0.8
179.14175	0.6
181.12341	0.7
185.13319	2.2
189.12709	0.8
203.17990	4.9
213.16409	3.1
231.17496	4.3
231.20982	1.9
241.19629	0.8
249.18407	4.1
259.20587	4.3
273.09103	0.7
276.07828	1.3
277.18024	43.1
277.21512	5.0
290.09546	0.6
291.10098	0.7
295.19061	2.6
304.07211	0.9
319.09644	3.2
320.10410	0.9
333.17157	0.6
333.20670	0.7
351.12372	4.0
351.18423	1.8
351.21625	35.0
351.25409	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.02007	0.4
56.19141	0.5
57.70193	0.4
60.63669	0.4
65.35323	0.5
68.10435	0.4
69.83298	0.5
86.04486	0.6
112.68915	0.6
123.48254	0.5
128.53209	0.5
131.76543	0.5
237.00179	0.6
284.98935	0.6
332.76556	0.6
351.21423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77272	0.4
65.58581	0.3
69.72246	0.3
72.04523	45.0
76.37606	0.4
94.22478	0.4
100.07624	100.0
105.07005	0.5
193.45732	0.4
195.53334	0.4
234.63530	0.4
309.40942	0.4
351.21039	45.4
351.28644	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2025
Annotation	Rolinose
Peak:m/z	Relative Intensity
60.22413	0.3
67.49338	0.3
70.06586	2.5
72.04524	3.3
72.08158	6.6
74.25230	0.3
76.99182	0.4
84.04494	0.6
84.05618	0.9
84.08131	0.8
85.12827	0.4
86.09708	0.7
110.07139	0.5
114.09175	29.1
180.27478	0.4
191.04506	5.7
197.13988	5.7
206.09351	0.4
220.10817	2.7
237.40385	0.4
238.11859	11.3
245.04367	0.5
247.07210	0.6
247.58907	0.4
254.11295	0.5
259.15482	0.9
260.16336	2.6
265.08090	0.9
274.15463	1.8
285.53030	0.4
289.16440	1.7
292.16501	0.9
307.09280	1.6
319.17731	2.1
333.19214	13.6
351.08588	3.7
351.20255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67697	0.3
50.79350	0.3
51.43379	0.3
70.06601	5.5
72.04508	0.6
72.08167	3.5
84.08147	0.4
84.46475	0.4
90.47913	0.3
95.04956	2.4
105.07094	0.4
107.08608	0.5
108.02988	0.4
112.07615	1.5
114.09174	12.3
115.08666	0.6
120.56905	0.4
120.68079	0.4
133.06430	0.5
135.08080	0.7
150.09145	5.2
152.10712	2.2
153.10287	0.4
156.61072	0.4
162.09145	7.4
178.08676	0.5
178.56047	0.4
180.10201	7.7
190.08604	0.5
197.14052	3.3
203.15475	4.4
204.13846	58.6
214.12262	0.5
221.16502	21.9
231.14857	2.9
232.13338	16.5
235.18126	0.9
240.13396	0.5
245.16391	0.4
249.15979	13.7
250.14366	7.2
257.17950	0.4
263.17548	17.2
291.17014	8.5
318.36829	0.4
333.19284	2.8
351.20279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.203
Annotation	Rolinose
Peak:m/z	Relative Intensity
53.07237	0.5
55.01875	0.4
56.05054	4.5
70.06578	2.9
72.04511	1.2
72.08160	5.6
72.95444	0.5
84.04496	3.5
84.08143	1.1
89.13963	0.5
92.17827	0.6
95.04941	0.9
96.13347	0.5
102.35543	0.5
108.08117	1.2
109.06524	1.2
113.10796	4.0
114.09178	24.8
115.08723	1.7
117.07011	0.6
124.05084	0.9
124.07606	0.7
131.11763	0.9
132.08144	0.6
133.06519	2.1
134.09659	3.2
136.07591	2.5
138.06635	0.9
143.11797	1.9
150.09157	3.8
152.10712	0.7
152.11806	2.5
156.11330	4.8
160.07590	0.9
161.05925	2.5
162.09134	0.9
178.08620	5.6
180.10214	1.1
188.11980	0.5
190.75772	0.5
196.09602	3.8
203.15489	0.5
204.13847	14.9
211.15565	18.2
220.10815	3.2
221.16475	4.8
232.13260	3.5
237.13455	7.1
238.11765	0.7
249.15984	3.2
250.14336	1.8
260.39838	0.5
263.17554	3.2
288.84845	0.5
289.20377	1.1
291.17072	2.1
300.85553	0.6
333.19272	6.3
351.20282	100.0
366.68063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96751	0.2
59.78291	0.2
60.04535	0.3
60.37648	0.2
63.15806	0.2
69.07076	0.2
81.07052	0.3
81.81008	0.2
84.05631	0.5
91.05460	0.6
93.07041	4.1
94.87837	0.3
98.09691	1.3
105.07053	1.4
109.06491	0.3
113.10777	2.3
114.09160	3.9
115.08704	0.4
126.09151	0.7
131.11768	0.4
133.06525	0.3
135.08060	12.2
141.42461	0.3
156.11316	4.0
170.87631	0.3
173.13988	17.6
173.79935	0.3
179.07028	100.0
210.59402	0.3
325.89453	0.3
351.20261	48.4
351.23660	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1231
Annotation	Indicanine C
Peak:m/z	Relative Intensity
55.05513	3.8
57.03419	2.0
57.07067	1.6
67.05528	10.9
69.07069	6.4
71.08626	9.4
79.05512	11.3
81.07066	14.0
91.05500	5.8
93.07038	12.2
95.08600	10.6
96.73175	1.5
99.08142	5.2
105.07030	10.2
107.08592	11.8
109.10152	6.8
113.87109	1.5
119.08561	10.3
121.06531	1.9
121.10133	8.7
123.33032	1.7
131.04947	1.8
131.08548	3.8
133.10144	11.8
135.11693	7.2
137.05978	1.5
145.10104	6.1
147.11659	10.4
149.13295	2.9
151.11165	2.5
157.10054	1.9
159.11694	3.3
161.13248	2.6
163.11139	1.7
171.11685	1.9
173.13217	3.1
175.14825	2.1
189.52916	1.8
203.08574	2.4
205.36424	1.6
220.08882	3.1
231.08000	9.0
231.91940	1.6
241.19588	3.3
247.07513	2.1
247.18076	1.7
248.08324	6.2
255.08862	2.7
258.06729	1.9
259.07587	7.8
259.20587	10.0
260.08344	2.8
261.09174	1.9
263.10648	3.3
265.08521	2.7
269.10635	2.3
273.09137	22.2
276.07837	28.2
277.08688	2.7
277.21582	3.7
287.11642	16.3
289.08624	8.8
289.21558	2.8
290.09357	16.6
291.10110	18.4
293.08130	3.3
298.82016	1.9
301.08557	12.7
304.07266	16.8
305.08145	6.7
305.12579	3.6
308.10480	2.6
318.09213	2.2
319.09616	53.8
320.10443	16.0
323.12863	3.9
333.24234	7.5
336.09995	2.6
351.12296	100.0
351.21417	22.9
351.25327	44.9
365.72296	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1228
Annotation	Indicanine C
Peak:m/z	Relative Intensity
52.12591	0.6
95.11652	0.9
95.43240	0.9
111.04404	0.9
121.08966	0.8
183.18861	0.9
191.06941	1.1
193.83568	0.7
202.07782	1.0
205.06532	1.3
210.35738	0.8
215.08578	1.2
219.08057	1.9
230.07240	1.3
231.08028	11.4
232.08868	3.1
234.06604	1.0
245.09581	1.0
247.07607	1.5
248.08263	10.6
249.09044	2.0
258.06772	3.6
259.07428	7.0
260.08322	6.9
261.05225	1.4
261.09201	1.7
262.09735	1.1
263.10693	4.4
265.08630	5.0
273.09094	24.3
274.06302	1.2
275.06989	4.5
276.07822	34.8
277.08615	3.5
286.89850	0.8
288.07870	1.4
289.05350	1.5
289.08524	11.3
290.09357	15.3
291.10181	16.8
293.08051	4.3
293.11121	1.1
301.08478	11.4
304.07315	19.1
305.08139	7.9
308.10406	5.2
318.08951	1.6
318.93997	0.9
319.09662	64.0
320.10498	14.8
321.07581	1.3
323.12759	6.6
336.09970	3.6
351.12265	100.0
351.21423	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	351.1236
Annotation	Indicanine C
Peak:m/z	Relative Intensity
50.98751	0.9
52.67878	0.8
55.61757	0.9
57.55149	0.9
65.96620	1.1
67.05518	1.1
72.03194	1.2
79.05468	1.9
79.91118	0.9
81.07063	2.1
91.05456	1.2
92.00945	1.1
93.07028	4.9
95.02441	1.1
95.04951	1.1
95.08593	4.2
101.05432	1.8
101.06033	31.8
105.07028	4.1
107.08609	2.2
108.75633	1.0
109.10174	1.6
119.08568	2.2
131.08565	2.6
133.10139	1.3
135.11723	1.7
136.90637	1.2
145.10159	1.9
147.04440	1.7
161.13263	1.2
171.11705	1.3
175.07590	1.3
185.13304	4.2
187.14767	2.4
202.07878	1.3
203.14270	8.8
213.12816	2.1
219.08183	1.3
221.15244	2.0
227.18098	1.7
231.07964	7.5
231.13780	10.0
232.08824	1.5
248.08263	9.5
249.14900	2.3
258.06833	1.3
259.07510	6.6
259.13397	1.6
260.08368	2.5
261.05566	2.0
261.09082	1.5
263.10654	4.3
265.08609	4.2
273.09091	24.9
274.06265	1.3
275.07111	4.9
276.07834	34.6
277.08664	1.8
287.20020	2.2
289.05234	1.8
289.08536	10.5
290.09390	19.5
291.10172	18.4
291.19565	2.3
293.08084	4.4
301.08612	9.6
304.07291	22.0
305.08066	10.1
306.08588	1.2
307.09760	1.1
307.20926	1.0
308.10358	5.2
318.08994	2.4
319.09647	68.1
320.10410	15.3
323.12750	4.0
333.20590	5.2
336.09866	5.6
351.12286	100.0
351.21378	16.3
351.24561	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1229
Annotation	Indicanine C
Peak:m/z	Relative Intensity
50.37897	1.2
55.59934	1.4
59.03142	1.2
89.54557	1.5
110.33278	1.3
114.39378	1.3
119.30658	1.5
119.45553	1.4
151.84207	1.3
166.96167	1.4
199.53847	1.7
201.01669	1.5
203.08585	1.8
231.08078	9.9
232.08922	1.8
233.09587	1.9
247.07524	5.6
248.08342	8.2
258.06824	3.3
259.07574	6.8
260.08386	5.4
263.10663	3.3
265.08560	6.9
273.09085	29.9
275.07089	2.6
276.07782	34.9
277.08621	2.6
289.05447	2.0
289.08432	12.6
290.09384	19.6
291.10135	18.7
293.08130	2.6
301.08554	13.0
304.07324	20.6
305.08167	8.5
308.10574	6.2
318.09103	2.7
319.09659	64.3
320.10349	16.8
323.12756	8.1
336.09933	1.9
351.12286	100.0
351.21219	19.8
351.24857	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.123
Annotation	Indicanine C
Peak:m/z	Relative Intensity
53.16870	1.0
57.03428	1.1
57.72012	0.9
67.05515	1.6
77.73681	1.1
79.05495	1.7
79.84204	1.2
81.07056	2.2
83.62146	1.0
91.05455	1.5
93.07028	2.5
95.08605	1.6
111.04382	1.9
113.15674	1.0
135.11658	1.3
137.05981	13.3
147.11691	1.8
202.07732	1.8
220.08778	2.2
231.08005	9.6
247.07529	2.4
248.08246	7.7
258.06757	1.5
259.07535	5.5
260.08276	2.6
261.05496	2.4
261.09082	1.3
262.09711	1.2
263.10666	4.8
265.08569	6.3
273.09106	25.5
274.06250	1.5
275.07013	4.4
276.07806	32.9
276.10590	2.2
277.08545	2.5
277.17999	2.7
280.67239	1.2
287.06918	1.7
289.05606	1.6
289.08545	12.2
290.09354	16.7
291.10205	17.9
293.08136	6.4
301.08597	14.1
304.07288	21.0
305.08102	6.0
308.10358	4.4
317.31525	1.2
319.09647	71.7
320.10446	17.5
323.12793	6.0
336.09998	3.9
351.12256	100.0
351.21570	7.4
351.25458	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	351.1192
Annotation	Cystothiazole E
Peak:m/z	Relative Intensity
54.22332	0.4
66.50764	0.4
70.06580	1.2
71.05002	1.1
72.08157	3.8
79.68362	0.5
84.08143	0.9
85.02891	2.0
85.06548	10.1
88.11248	1.7
95.04951	2.8
96.04463	0.6
102.62206	0.5
105.01859	0.8
110.06025	2.2
111.04446	3.3
113.05997	2.4
120.08110	0.9
122.06117	0.6
124.03952	2.5
127.03890	0.9
128.07092	0.8
130.04965	1.1
138.05530	4.2
139.03874	0.8
140.07068	2.5
142.08595	0.7
147.07635	2.0
150.05504	1.9
156.06558	9.4
156.07939	0.7
157.04958	1.0
160.07509	0.5
160.26013	0.5
173.10753	2.7
174.09195	0.7
176.03436	1.8
177.10213	0.6
184.06058	23.8
184.07681	0.8
186.07874	2.7
188.07103	0.5
198.09120	0.6
200.07117	1.8
201.10242	32.3
202.08780	0.7
213.10149	1.0
214.08664	4.3
215.08208	0.9
216.06642	0.8
216.10335	1.1
217.07764	0.7
217.09663	4.9
224.06865	0.5
226.08560	0.5
229.09799	2.2
230.06790	1.0
230.10435	6.4
232.09651	0.8
235.10699	0.6
236.09088	0.5
237.15349	0.6
241.09758	3.1
242.08138	6.4
243.07503	0.7
243.11369	0.8
244.09575	0.7
245.09225	36.6
257.09152	5.5
258.07690	0.5
258.09982	14.3
258.77155	0.5
259.10797	4.9
260.09213	6.3
269.09198	10.5
270.07535	4.2
271.06030	1.1
271.10641	0.5
277.11749	0.9
278.10229	1.7
281.11304	3.5
287.10272	12.6
288.08658	44.3
299.05524	2.2
300.07452	0.5
305.11401	6.2
306.09741	0.9
315.09805	2.8
316.08160	15.8
323.12408	5.8
333.10818	96.5
351.11868	100.0
351.15448	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87473	0.6
55.05511	1.5
57.03438	0.6
57.88280	0.7
69.03445	1.1
70.06603	8.4
71.04996	1.8
72.07797	1.3
72.08167	19.4
73.88672	0.9
77.72959	0.6
83.04990	1.6
84.08150	6.0
85.02928	1.6
85.75457	0.7
86.06030	0.7
86.09725	1.3
87.00841	0.7
88.33548	0.7
93.07061	0.8
95.04976	1.5
96.04522	0.8
97.02905	0.7
97.06537	0.7
97.07700	0.9
98.06026	1.3
107.43123	0.7
109.02876	0.6
110.06042	1.3
111.04462	3.0
113.05990	1.5
114.10291	4.4
115.08715	1.5
120.08098	0.9
121.10124	1.0
122.02763	0.8
123.04465	1.5
125.06033	0.9
127.03963	0.7
128.07101	1.1
130.04970	1.0
130.06497	1.0
130.08670	1.0
138.05530	3.7
138.68404	0.7
140.07068	3.8
143.07025	1.7
144.07353	1.6
150.05502	1.4
153.05415	0.8
154.09729	1.5
156.06567	9.0
159.09589	0.7
163.03917	14.1
171.12386	1.2
173.10741	1.1
176.03430	1.0
179.84149	0.7
181.31174	0.8
184.06076	22.8
186.07735	1.7
190.50346	0.7
191.94733	0.7
200.07155	0.9
201.10262	28.8
203.03526	0.9
205.09653	0.7
213.10222	0.9
214.08693	3.3
215.08127	0.9
217.09779	4.7
218.08083	0.9
220.09729	1.2
221.04477	3.0
228.06567	3.1
230.06680	1.0
230.10464	6.2
231.11214	1.1
232.09877	0.9
236.09320	0.9
241.09767	3.6
242.08151	5.3
243.07578	1.1
243.11273	1.1
244.09883	1.1
245.09250	34.5
257.09198	5.7
258.09998	10.8
259.10837	4.8
260.09158	6.0
262.07242	1.4
269.09161	6.7
270.07617	3.2
271.05887	0.9
277.12000	1.7
278.10455	1.2
281.11365	1.4
287.10312	9.4
287.13531	1.0
288.08661	35.6
289.15363	0.9
291.13422	2.7
292.11816	7.2
299.05484	2.8
300.07410	0.8
305.11371	6.9
305.15808	1.5
315.09814	4.2
316.08185	13.7
323.12454	4.1
333.10843	91.5
333.14514	3.9
351.08322	6.8
351.11929	100.0
351.16379	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	351.1189
Annotation	Cystothiazole E
Peak:m/z	Relative Intensity
55.01866	2.0
70.06604	4.1
72.08151	2.1
76.07092	0.5
84.08151	0.7
89.10780	0.6
94.36269	0.5
97.26646	0.5
97.44585	0.5
98.83536	0.5
99.04434	0.6
112.07622	0.6
123.04443	1.1
145.02844	2.9
163.03889	2.1
165.05505	0.5
168.06531	1.9
175.11948	0.8
177.05476	14.2
197.03596	0.5
213.06670	0.7
217.09634	0.6
219.07724	1.9
227.08168	0.7
231.07532	0.9
232.08479	1.9
233.09248	2.4
237.06506	0.6
241.06009	0.8
241.09703	3.8
242.06879	1.0
243.07613	0.7
244.09636	1.0
245.09219	5.1
253.09587	0.5
255.07594	7.1
259.07257	2.4
259.10709	3.9
260.07892	4.7
261.08664	3.6
265.15509	3.8
269.09143	7.6
271.10788	2.3
272.09143	0.9
273.08691	14.4
279.10135	0.5
287.07129	0.6
287.10254	17.2
287.13266	0.8
289.11813	2.8
291.09903	3.6
297.08734	13.7
300.98154	0.5
305.11356	3.0
315.09750	57.1
329.17160	0.7
333.10812	61.8
333.28000	0.5
351.11874	100.0
351.15680	3.5
351.19690	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	351.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74788	0.4
59.87410	0.4
61.72052	0.4
64.47728	0.4
69.03420	0.6
72.08158	1.0
74.79438	0.5
80.09799	0.4
81.03393	0.9
85.02922	0.7
91.05489	1.7
91.50094	0.4
111.04452	0.7
163.03888	0.8
185.04227	3.7
188.03206	0.5
189.05255	6.3
191.39215	0.5
202.92412	0.6
210.07573	0.7
230.11697	0.7
351.10495	100.0
351.19879	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.9369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65086	1.8
71.40992	2.6
71.59706	1.8
76.44102	2.2
83.73331	1.9
109.51514	2.2
163.52063	2.4
246.90034	4.2
246.92558	100.0
264.93658	3.9
278.95160	3.8
288.93576	4.0
312.77673	2.5
348.09714	2.6
350.93555	9.6
350.97183	2.8
351.06915	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	351.069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00537	0.7
68.00994	0.8
106.92129	0.7
134.53433	0.9
173.02965	1.7
236.14973	4.5
351.06860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.5
56.05030	1.1
60.04532	69.8
67.05511	6.7
69.07055	3.6
70.06598	0.6
71.02254	0.6
71.04975	1.0
72.04499	2.6
72.08121	0.6
74.06065	1.6
79.05492	3.2
80.05004	0.9
81.03382	0.7
81.07067	9.8
83.08595	2.7
93.07028	4.7
95.08612	8.0
97.06535	1.1
97.10155	2.4
102.05532	3.3
105.07030	1.1
107.08573	3.5
109.10161	6.1
117.91724	0.6
120.06631	0.9
121.10140	4.5
123.11697	2.5
131.08528	0.7
133.10123	0.7
135.11685	4.6
149.13275	1.3
163.03865	1.4
167.06985	0.7
172.21831	0.7
219.20958	0.7
241.51350	0.7
248.23776	1.1
260.23871	1.1
266.24844	0.7
274.10956	0.8
274.95798	0.7
278.24774	6.7
296.25848	5.4
314.26941	5.2
317.73492	0.6
332.19281	3.4
332.27896	16.5
350.20013	3.2
350.28998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72924	0.2
66.80301	0.2
72.04523	18.6
72.08155	3.1
74.09734	0.6
80.76371	0.3
84.27598	0.2
89.10798	1.4
98.06052	0.3
100.07623	100.0
115.08703	0.5
131.13396	0.3
179.48965	0.3
189.01883	3.9
195.23547	0.3
246.04970	0.3
247.05026	1.1
260.09116	2.2
262.10770	2.2
277.11917	3.4
291.07843	1.6
333.18237	1.6
350.20752	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	350.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74215	0.2
57.03452	0.5
57.53950	0.2
64.64194	0.3
69.07053	0.4
72.04523	21.4
72.08161	4.0
74.09721	0.4
78.15239	0.2
80.21925	0.2
81.07065	1.3
89.10786	1.5
93.07042	0.3
97.06558	0.4
97.63865	0.3
98.06088	0.4
99.08093	2.4
100.07624	100.0
109.10108	0.3
115.08725	0.5
134.42433	0.2
135.11688	0.3
153.12697	1.8
163.03900	0.5
164.04260	0.4
189.01807	3.8
260.09158	2.3
262.10986	3.2
277.11826	3.4
292.66190	0.3
333.18152	2.3
350.20746	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41570	0.2
55.05086	0.2
56.04372	0.2
57.36708	0.2
66.16386	0.2
72.04523	17.1
72.08159	3.2
74.09736	0.3
89.10790	0.9
89.45066	0.2
100.07623	100.0
115.08697	0.3
116.61510	0.2
184.91173	0.3
189.01814	4.4
258.47241	0.3
260.09195	4.1
262.10712	3.7
277.11887	1.6
333.18127	3.9
345.14429	0.3
350.20752	32.9
359.24310	0.3
362.80817	0.3
367.60953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97058	0.3
56.23644	0.2
62.61436	0.3
70.13327	0.3
72.04523	17.2
72.08159	5.7
74.09711	0.5
75.75160	0.3
81.07046	0.4
89.10829	0.4
91.79865	0.3
92.18409	0.6
97.06541	1.4
99.48148	0.3
100.07626	100.0
105.07065	0.5
115.08677	0.4
123.04403	0.5
130.06522	0.3
173.95161	0.4
179.82512	0.4
189.01826	4.1
260.09189	4.8
262.10730	4.5
277.11951	2.3
315.17841	0.5
333.18106	3.8
350.20767	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	349.295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	38.7
71.08640	25.0
73.06564	1.8
85.10184	21.9
89.06036	100.0
95.85187	1.1
97.10152	1.5
99.11700	1.8
102.67094	1.1
107.07076	5.0
126.37399	1.0
129.14017	1.0
131.90485	1.0
133.08595	25.7
151.09656	4.2
154.84706	0.9
177.11205	7.3
195.12280	41.0
243.23178	2.3
306.39313	1.1
349.29523	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	349.2741
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.75206	1.0
55.05500	1.2
62.41308	1.1
67.05513	2.1
69.07059	2.7
81.07049	6.0
83.08626	1.9
85.06596	1.4
88.57590	1.4
93.07063	1.6
95.08584	6.1
97.06498	1.6
105.07016	1.4
107.08574	5.0
109.06506	2.2
109.10171	5.3
111.08131	2.1
119.08577	1.6
121.10133	3.3
123.08075	49.8
133.10181	2.1
135.11658	1.9
137.09584	6.3
147.11681	2.5
159.11665	1.2
175.11339	1.2
179.14330	22.8
188.21030	1.2
216.40746	1.3
233.18953	1.5
275.19818	2.1
278.02725	1.4
293.21078	19.4
349.27386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05519	1.5
57.07068	0.8
62.03134	0.7
66.51388	0.6
67.05495	2.7
69.07073	5.6
69.30761	0.6
71.04981	1.1
79.05486	0.7
81.07073	4.6
82.76640	0.6
83.08617	3.3
93.07041	3.3
95.08600	5.2
97.06524	1.1
97.10159	0.8
98.03294	0.6
105.07066	1.4
107.08620	4.9
109.06496	5.0
109.10175	1.3
111.08085	1.1
119.08598	1.2
121.10149	4.4
123.08070	52.4
123.11682	1.4
125.09636	0.6
126.14269	0.7
133.10101	2.8
135.08119	0.8
135.11752	1.5
137.09590	4.6
137.13231	0.7
145.10168	0.9
147.11687	2.6
149.13274	1.1
159.11711	1.0
161.13309	1.2
163.11160	0.6
179.14291	15.3
275.20105	1.5
293.21118	20.6
307.22888	0.7
331.26398	2.4
349.27396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	6.4
62.98552	3.6
68.21107	3.4
70.85928	3.3
77.53625	3.9
85.10188	6.3
89.06036	5.2
101.29636	3.6
104.45347	3.8
164.61929	3.8
195.12314	5.2
220.19720	4.3
258.70822	4.2
349.23557	100.0
349.28232	5.9
349.29446	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.8
55.70714	0.6
57.03438	0.8
61.31820	0.8
64.79565	0.6
67.05492	4.7
69.07017	0.6
72.07519	0.7
79.05489	3.0
81.07053	3.8
83.08601	0.9
83.68389	0.7
87.66753	0.8
91.05468	3.3
93.07028	3.5
95.08603	3.4
105.07041	1.1
107.08571	1.2
109.10156	1.5
117.06980	1.1
119.08560	4.1
121.10160	1.4
121.24145	0.8
133.10146	3.4
145.10103	1.4
147.11684	1.7
159.11765	1.4
171.11595	0.9
173.13341	1.0
275.19995	4.4
349.23535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99571	0.4
55.95033	0.3
60.04520	0.5
70.06574	0.6
72.04507	1.9
72.08167	3.6
96.08111	0.7
100.01881	0.4
104.42300	0.4
114.09174	16.8
115.76988	0.4
171.15706	1.0
204.11328	36.7
269.41592	0.4
317.19733	100.0
344.17606	0.5
349.18484	2.5
349.22391	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	349.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27693	0.4
55.01880	0.5
55.09100	0.5
55.15138	0.4
56.45745	0.4
56.84184	0.4
57.07085	6.6
58.90805	0.4
61.08567	0.4
69.03416	0.8
70.06570	0.5
71.35852	0.4
72.08160	29.0
84.20024	0.4
85.06544	6.0
89.10798	22.1
96.95486	0.5
98.06041	1.2
100.72929	0.5
115.08709	2.7
121.89486	0.6
141.06996	0.6
149.06020	3.7
159.04425	6.0
163.07520	0.9
165.07130	0.5
167.08557	2.3
169.06464	0.8
169.10130	5.5
173.05997	5.7
174.06720	2.5
175.03923	8.0
177.05408	5.3
177.09879	0.5
179.08632	3.7
181.06467	1.2
182.07239	2.0
183.04431	1.3
183.08038	1.1
185.05983	1.0
186.06841	0.9
187.03900	3.3
187.07582	5.1
187.11206	1.2
189.05492	3.2
191.03395	6.9
193.04945	3.5
195.08072	2.8
196.05167	0.9
197.05957	2.9
197.09633	22.5
199.07558	2.2
200.08322	1.1
201.05472	24.2
201.09082	5.7
205.04987	2.4
205.12238	1.2
207.08041	5.3
210.06796	1.1
213.05542	2.0
213.09093	0.8
214.06325	4.7
215.07162	12.3
215.10669	38.3
225.09102	45.6
228.07773	5.0
243.10162	26.6
261.11215	43.4
332.18527	7.2
349.21231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
57.83658	0.8
57.92838	0.7
58.06572	3.5
70.06591	6.3
72.08158	7.8
83.04987	8.3
84.08122	4.9
86.06056	1.1
86.09695	1.4
89.78629	0.9
96.08144	7.1
101.05995	3.0
103.03926	0.9
115.07555	0.9
121.74532	0.8
136.07538	3.9
137.77994	0.8
144.10211	1.2
146.02922	0.9
160.07507	4.1
162.09113	1.4
174.09122	5.8
175.11877	1.5
184.13243	1.5
186.09151	2.9
187.05992	0.8
188.10657	1.0
190.12282	7.0
198.09016	3.2
200.10609	3.2
202.12247	1.4
212.10596	4.2
215.11816	0.9
217.13414	0.8
229.13293	3.2
233.16412	4.2
240.13762	1.5
243.14847	6.2
247.07970	3.1
260.12604	1.5
261.15973	80.0
268.13260	1.0
274.14575	1.0
286.14099	1.1
288.16086	0.9
299.17285	1.2
300.15817	3.9
316.17709	3.0
331.20157	35.6
339.96808	0.7
349.09259	1.5
349.21176	100.0
364.25610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36280	0.4
53.75834	0.5
53.86773	0.6
54.32509	0.5
58.06597	1.0
68.05027	0.6
70.02556	0.5
70.06599	1.4
71.23858	0.8
87.45652	0.5
96.08164	4.0
130.08615	0.9
136.07559	1.3
144.10194	2.2
150.09142	2.5
150.84949	0.5
152.10670	1.0
156.10179	3.3
160.07559	4.8
161.08417	0.8
162.09175	0.7
164.10721	1.1
173.08353	0.7
174.09143	7.2
176.10632	0.9
184.13370	5.2
186.09126	1.1
187.09818	0.6
188.10722	2.8
190.12273	0.9
198.09190	3.7
200.10760	3.9
202.12309	2.9
212.10735	6.9
214.12169	0.9
215.11792	3.0
216.12543	1.4
217.13412	1.2
229.13431	2.9
240.13806	1.3
243.14922	5.2
260.12915	1.4
261.16003	7.4
268.13403	1.3
274.14340	1.2
286.14261	1.1
288.15768	2.7
300.15936	8.8
303.17078	3.6
316.17731	4.5
317.18564	1.4
318.16714	0.7
329.18658	2.8
331.20148	38.9
349.21219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00698	0.2
58.06592	0.7
68.05013	0.5
70.06593	3.4
71.05003	0.4
72.08155	0.5
76.03945	0.3
84.04512	0.3
84.08121	0.7
86.09702	0.6
95.08595	0.4
96.08128	5.0
98.06010	0.6
106.10064	0.3
107.08607	0.3
108.08150	0.4
115.07566	0.7
124.07580	0.4
125.05975	0.3
126.06262	0.5
128.07059	1.8
130.05023	0.3
130.08630	1.4
135.39740	0.4
136.07599	1.5
142.08635	1.3
144.10184	2.8
147.06830	0.5
148.06036	0.6
148.07625	0.4
150.09125	2.6
152.10695	1.4
156.10236	3.5
156.11322	0.4
160.07550	4.4
161.08360	0.6
162.09149	1.5
164.10669	0.7
169.04883	0.6
173.08395	1.2
173.12868	0.3
174.09155	7.7
182.11742	0.7
184.07568	0.6
184.13338	6.6
185.08389	0.4
186.09077	1.6
187.09898	1.7
188.10767	2.6
190.12305	0.6
197.08272	0.4
198.09166	3.0
199.09918	0.7
200.10751	5.0
202.12328	2.2
212.10710	7.1
213.11502	0.4
215.11757	3.4
216.12621	1.5
217.13379	2.6
226.12228	1.3
229.13380	3.0
230.11720	0.5
233.16556	0.4
240.13791	2.8
243.14922	5.1
256.13199	0.4
260.12805	2.4
261.15982	7.3
268.13303	0.7
271.18158	0.6
272.12512	0.4
274.14407	1.4
285.13495	0.5
286.14374	1.8
287.14008	0.5
288.16095	2.7
299.17599	1.6
300.15958	9.2
301.15244	0.9
303.16977	4.1
316.17871	2.9
317.18671	2.3
318.16956	0.7
327.15771	0.4
329.18628	2.4
331.11752	0.5
331.20151	38.9
349.21207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.7
57.03453	1.8
67.04031	1.0
67.42715	1.0
69.07088	1.2
70.06594	7.8
72.08167	12.8
79.05515	1.3
81.07081	1.7
84.18630	1.0
85.79568	1.0
89.10815	5.8
98.06056	1.4
99.08134	2.3
114.09231	2.2
115.08749	1.3
116.07092	15.4
120.08136	4.7
129.07030	1.5
131.04977	7.1
144.08080	1.4
145.06468	1.2
149.05991	100.0
159.04497	2.2
161.06056	2.3
163.04034	2.6
163.07536	18.3
167.07069	12.1
170.09767	4.9
177.05478	8.6
181.05078	1.5
186.09140	2.2
188.07103	1.4
191.10721	1.4
197.09737	1.4
197.14014	1.6
205.12302	11.2
206.08202	2.3
215.10753	2.2
218.14244	1.4
219.10310	1.5
233.11732	9.9
243.10344	4.3
246.04948	4.2
261.11206	17.2
290.07382	8.3
331.20267	2.6
332.18823	5.2
349.07217	1.6
349.14789	2.3
349.21426	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09697	1.1
57.07074	7.7
72.07806	1.4
72.08170	30.5
85.06532	5.8
89.10797	24.5
103.83676	1.1
107.05383	1.4
115.08692	2.2
120.52618	1.2
144.22008	1.2
159.04401	2.9
163.03908	1.4
163.31075	1.2
167.08510	1.5
169.10135	7.0
173.05954	6.4
175.03917	7.2
177.05490	6.7
179.08623	3.0
182.07335	1.4
185.05888	1.4
187.03970	1.6
187.07536	4.7
189.05380	2.0
191.03471	5.7
193.04903	1.7
195.08115	1.5
197.06059	1.4
197.09637	21.2
199.07661	1.8
201.05490	20.6
201.09174	7.3
205.04987	2.7
207.08086	6.3
210.06841	4.6
213.05432	1.4
213.08951	1.5
214.06328	4.8
215.07077	7.8
215.10684	51.1
224.14000	2.5
225.09106	48.4
228.07758	5.7
243.10187	27.1
261.11237	46.4
332.18594	6.8
349.21231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.199
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39471	3.0
92.82119	3.8
99.05438	3.5
147.53130	4.2
153.93623	3.2
181.11008	3.6
255.81839	3.6
349.19839	100.0
349.23633	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	349.201
Annotation	Gibberellin A110
Peak:m/z	Relative Intensity
67.05497	2.2
70.54125	0.9
75.96603	1.2
79.05513	2.3
81.07064	7.3
83.04874	1.0
85.02929	1.8
91.05459	1.6
93.07030	2.3
95.04975	1.8
95.08602	5.1
105.07069	3.6
107.08585	5.5
109.10186	2.4
112.52254	1.1
117.19343	1.1
119.08598	10.1
121.10151	1.8
123.08065	1.4
123.11739	1.0
129.43723	1.0
129.57324	1.1
131.08586	4.4
133.10138	4.8
135.11714	1.3
137.09627	1.1
143.08522	1.5
145.10139	4.5
147.08151	1.4
147.11691	1.7
155.08540	1.7
155.19713	1.0
157.10149	6.1
159.04475	1.1
159.08032	2.5
159.11684	2.5
161.09630	6.4
163.03787	1.5
163.11191	1.1
169.10135	3.8
171.11694	1.8
173.09653	8.2
175.11230	2.1
181.10175	1.1
183.11676	7.2
185.09653	1.9
187.11189	2.6
193.10225	2.0
197.13300	6.8
199.11180	2.0
201.12759	1.6
207.11703	4.6
209.13287	1.9
211.11171	11.3
211.14891	4.8
221.13290	4.4
225.12949	7.6
229.12233	4.4
239.14293	6.9
239.17960	28.3
243.17529	2.3
249.16296	8.1
257.18997	9.1
267.17441	100.0
285.18503	35.2
303.19446	9.5
331.19049	49.5
349.10852	1.4
349.20023	30.0
359.10107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24957	3.3
57.03435	16.2
57.77997	3.5
59.36544	3.4
62.61402	3.5
63.35366	3.1
77.58940	3.4
82.37316	3.3
83.72163	3.2
119.08636	3.5
140.07155	3.9
163.61070	3.4
176.01283	3.9
179.70729	5.0
190.97127	3.5
231.08029	4.2
235.48334	3.8
349.10675	29.2
349.19843	100.0
349.23953	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	349.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97859	1.2
65.85606	1.5
88.33017	1.5
141.68520	1.4
173.53748	1.3
225.36525	1.4
291.06650	1.6
305.98999	1.5
309.50302	1.5
349.10577	9.7
349.19843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18409	0.3
58.01519	0.3
63.12901	0.3
67.05503	0.7
69.07063	0.5
79.05496	0.7
81.07044	1.4
83.04994	0.3
91.05447	0.4
93.07024	0.8
95.08645	0.5
97.06529	0.4
105.07034	0.5
107.08572	0.4
117.99610	0.3
119.08540	0.7
121.10149	0.5
133.10121	0.5
137.05733	1.7
145.10117	1.3
147.11707	0.7
159.11734	0.5
173.99625	0.4
188.56825	0.4
189.52515	0.4
275.20120	0.8
277.75922	0.4
288.07813	0.7
316.07248	0.5
349.11115	4.3
349.19864	100.0
349.23538	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	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06804	1.8
54.57593	2.1
57.23503	1.6
58.27048	1.6
123.92095	2.3
126.55055	2.5
217.44861	2.1
349.10742	4.2
349.19830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1874
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
51.22097	0.4
55.05505	1.1
60.04523	4.0
70.06574	1.1
72.04520	17.9
72.08162	32.3
82.14712	0.6
83.72981	0.6
98.06048	0.7
114.09175	80.0
122.03511	3.9
137.08369	2.1
148.07581	0.9
150.06552	0.6
174.09138	0.9
176.07121	0.8
187.03703	1.3
204.11359	2.9
218.09242	2.5
231.11273	6.0
233.12802	2.8
237.62958	0.6
317.19751	6.6
331.17203	12.9
349.09268	11.3
349.18582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38971	0.7
53.35973	0.6
53.65590	0.5
54.41764	0.6
55.05520	0.8
58.91248	0.7
60.05659	25.9
70.06598	34.8
71.04977	4.7
72.08154	5.8
82.95486	0.8
83.04989	1.7
85.01406	3.3
85.02919	1.5
86.06084	2.6
95.06104	6.1
97.07674	1.0
98.06067	1.0
99.02927	0.9
101.00844	1.2
103.02464	12.4
104.10732	3.5
105.11083	1.1
112.08725	11.3
113.00862	1.0
113.07129	1.6
114.10258	1.4
115.08649	4.8
116.07100	25.7
116.07920	1.1
116.75494	0.7
117.04001	15.3
119.01907	4.9
121.03429	1.7
125.06052	0.9
127.02430	7.2
127.03832	0.7
128.03461	1.0
129.01859	0.9
129.03958	3.6
130.09773	12.3
131.01921	8.0
131.02776	1.1
135.05029	5.8
143.01851	1.1
143.05505	4.0
145.02385	1.6
145.03467	32.4
147.01425	3.5
147.05064	1.9
153.03960	7.2
155.05519	3.9
157.03497	1.7
157.09708	1.0
157.10837	1.5
158.08102	2.1
158.09250	15.2
161.02977	0.8
161.06563	3.3
163.04462	5.3
169.03447	3.9
169.04793	2.1
170.05347	1.4
171.01399	1.7
171.05032	48.2
173.02931	6.1
173.05232	0.9
173.06563	5.5
173.09216	1.0
174.03993	1.3
174.55026	0.9
175.00847	1.2
175.11903	97.9
181.03452	9.8
187.04539	11.5
189.02495	8.0
189.03952	1.0
189.04593	0.8
189.06061	8.8
192.04919	0.9
193.01910	1.4
197.02950	13.5
199.04514	16.4
201.02420	1.3
201.09937	0.9
207.03537	1.6
208.05959	0.9
215.00563	1.0
215.04008	10.3
217.01889	0.8
225.02484	13.3
226.07101	3.0
235.07140	4.2
236.05621	7.6
241.01961	1.1
243.03499	23.0
245.01436	1.8
245.12387	3.8
259.02966	1.3
259.13922	1.3
260.06656	1.3
261.04587	1.7
269.01489	2.9
287.02512	9.9
289.65485	0.8
305.03589	2.9
313.00372	6.4
331.01514	18.9
331.05075	1.8
331.12061	0.9
349.02567	31.1
349.09418	5.3
349.13513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1307
Annotation	PI-103
Peak:m/z	Relative Intensity
51.66153	3.7
53.70858	4.3
56.36584	4.4
67.05514	6.5
67.55085	4.9
73.74657	6.3
75.11770	5.4
81.07063	7.7
93.07050	9.7
105.07100	7.5
107.49921	4.8
119.08553	5.9
174.99055	10.8
185.01027	23.4
189.00552	8.4
203.02000	5.5
211.02652	7.6
237.04060	7.5
251.05696	5.3
298.48428	6.0
308.09280	7.0
349.13168	100.0
349.16965	11.1
349.23666	28.3
349.31140	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	349.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30449	0.4
65.03941	1.0
67.05507	0.7
69.03413	3.6
70.06576	0.7
70.13223	0.5
72.08158	1.0
79.05508	0.7
81.07072	0.6
85.02893	0.8
86.09702	0.7
89.25449	0.5
91.05470	2.1
97.02894	2.2
99.04459	0.7
103.05465	1.1
107.04961	2.5
111.04498	1.8
114.09197	1.0
121.06506	2.5
123.04375	0.6
125.05990	0.9
130.05008	0.6
130.42804	0.6
131.04965	5.0
133.02866	0.8
135.04378	0.9
137.05956	6.0
145.06512	0.6
149.05992	53.9
151.03947	4.5
151.07574	6.7
153.05464	6.5
153.06679	0.5
155.07062	0.7
155.08521	1.1
163.03908	1.0
163.07549	3.9
165.05547	0.6
165.06981	3.9
167.07066	6.3
171.06555	4.9
174.10216	1.2
177.05473	100.0
179.07054	3.4
181.04958	87.4
183.08073	11.1
185.09784	0.6
191.07118	1.2
193.06444	0.9
196.05246	0.7
201.09187	0.6
203.03415	1.2
207.04567	0.9
207.06528	3.2
209.06061	0.7
210.06718	0.6
211.07535	22.1
213.09151	0.7
215.10732	2.0
225.09157	2.4
228.07881	0.9
239.06975	7.7
243.10178	12.5
256.07257	0.7
271.09671	13.9
273.07654	0.8
288.09991	1.9
299.09247	3.0
303.12265	44.1
321.07590	2.7
324.11932	0.5
327.16135	0.7
331.08127	1.0
331.11798	17.8
349.07126	3.9
349.13190	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	349.0899
Annotation	Pibocin B
Peak:m/z	Relative Intensity
59.79575	1.6
60.05658	3.5
65.05533	1.6
68.86220	1.5
70.06599	9.6
72.08154	12.0
80.05231	1.8
84.05649	2.1
84.08160	3.0
91.03706	2.6
94.33833	1.7
116.07119	3.4
139.15146	1.8
169.06816	10.2
171.04965	2.1
175.11909	22.1
182.11678	2.4
187.05724	7.7
187.07916	18.8
193.00362	1.9
197.03001	1.7
205.05650	11.3
205.09065	3.9
229.06673	14.4
277.07117	2.2
278.17181	2.7
289.07367	10.1
294.24103	2.3
349.08984	100.0
349.13345	36.9
349.24384	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	349.1285
Annotation	Syringopicrogenin B
Peak:m/z	Relative Intensity
55.72017	0.5
60.81257	0.5
61.57289	0.5
61.70515	0.4
62.69337	0.5
63.71243	0.4
65.03943	0.9
65.27465	0.5
67.05492	0.8
68.70026	0.5
69.03429	1.3
70.06591	0.8
71.05003	0.6
72.08144	2.1
76.33746	0.6
84.08148	0.8
85.02899	0.8
91.05481	1.1
95.05000	0.9
97.02880	0.8
99.04425	0.8
103.05462	0.9
107.04955	3.0
109.06554	0.6
110.03637	0.7
110.17857	0.7
111.04429	0.6
117.03321	0.8
119.04912	0.7
121.06451	2.6
123.04449	2.3
125.06005	0.7
127.03940	0.6
131.04912	5.7
134.03603	0.6
135.04401	2.8
137.06003	5.9
145.02855	0.7
147.04372	0.7
149.05988	52.8
150.44508	0.6
151.03914	5.0
151.07536	7.3
153.05482	5.6
153.06592	0.5
155.08557	2.2
163.03944	2.3
163.07520	2.5
165.05731	0.7
165.07010	3.6
167.07050	6.4
171.06509	5.0
177.05466	100.0
179.07022	3.5
181.04948	88.9
182.07471	0.6
183.08032	12.0
191.07048	1.1
193.06519	0.8
197.09705	0.7
207.04562	1.2
207.06557	6.1
211.07542	20.3
211.09538	0.7
212.08473	0.7
213.09195	1.0
215.10612	1.3
221.46179	0.6
225.09236	1.8
228.07845	1.0
239.06973	6.4
243.10127	10.1
271.09589	14.1
272.10492	2.2
288.10034	1.0
299.09149	2.6
303.12265	42.3
331.11777	17.6
349.13208	3.1
349.19757	0.9
361.20114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0897
Annotation	Pibocin B
Peak:m/z	Relative Intensity
52.80016	0.2
53.51117	0.2
69.03433	1.2
70.06587	0.7
72.08142	0.6
81.03417	0.7
83.08593	0.4
84.08123	0.4
85.02884	1.2
86.09697	0.4
97.02889	0.3
103.27686	0.3
127.03896	1.7
149.06004	0.4
158.97414	0.3
163.03882	0.5
175.28665	0.3
177.05475	1.2
181.04990	0.4
185.04211	3.0
187.03653	11.4
192.95590	0.3
216.97853	0.3
220.98959	0.4
234.98996	3.9
259.04517	0.4
261.24524	0.3
303.05435	1.1
327.16064	0.4
349.08951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.2
57.03439	3.1
58.17402	1.7
58.84801	1.7
65.93606	2.2
67.05515	47.9
68.96071	2.0
69.07066	12.0
71.04991	3.0
71.08627	9.4
79.05503	10.8
81.07069	26.7
83.08628	16.6
91.05470	4.9
93.07052	19.1
95.04927	2.7
95.08604	14.7
97.06543	4.0
97.10175	16.8
99.08118	8.5
105.07023	3.7
107.08614	17.0
109.10167	76.4
111.08099	4.6
117.07024	2.5
117.40456	1.9
119.08580	9.4
121.10156	10.1
123.11765	2.1
125.09645	14.1
130.06502	3.1
131.04951	2.5
132.05237	3.3
133.10139	9.2
135.11697	12.5
137.09625	9.1
144.08037	3.2
149.13275	16.3
151.11115	3.8
155.10674	58.5
159.11650	4.2
163.11241	4.0
170.09657	3.8
171.10172	2.5
173.11737	100.0
173.13222	4.4
177.12724	4.0
179.14371	3.6
189.11259	12.7
190.14401	4.9
195.13809	37.1
213.14897	28.9
230.26210	2.1
237.63628	2.6
249.22539	2.2
255.24933	2.8
277.21552	32.2
295.22641	45.0
346.10846	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27209	1.2
55.05512	3.6
57.03438	3.1
67.05513	31.9
69.07082	1.7
71.08616	8.1
71.39217	1.5
79.05492	6.4
81.07066	16.1
83.08619	11.9
91.05486	2.2
93.07043	9.2
95.08601	10.6
97.10168	19.3
99.08099	2.6
105.07047	9.0
107.08593	8.2
108.71229	1.4
109.09422	2.4
109.10164	65.9
111.04490	2.0
111.08080	3.3
115.91016	1.4
117.07000	1.6
117.32916	1.4
119.08595	7.8
121.10178	5.8
122.09667	2.5
123.11768	1.7
125.09612	13.0
130.71886	1.6
131.04958	3.3
132.05246	2.3
133.10143	1.8
134.48495	1.7
136.06195	5.7
136.34451	1.6
137.09613	8.0
137.44521	1.6
151.11217	6.1
153.12773	2.6
155.10663	46.4
160.07832	1.4
171.10208	2.5
173.11737	100.0
179.14246	1.9
179.82507	1.5
181.12314	1.9
189.11282	12.1
190.14456	3.0
213.14804	1.6
214.02608	1.6
237.66238	1.9
252.64883	1.4
259.20532	2.1
277.21661	26.7
295.22662	20.7
299.44519	1.7
330.20755	3.5
348.21683	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	348.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08376	0.4
54.69318	0.3
59.77075	0.4
60.05648	0.6
60.64127	0.4
63.50928	0.4
72.08163	19.4
78.17271	0.4
89.10826	0.6
89.20259	0.4
97.07670	4.1
98.06084	0.4
114.10297	47.5
115.08702	5.4
122.71855	0.5
131.13007	0.6
146.06023	0.9
149.54185	0.5
155.53653	0.4
171.07938	0.5
176.07074	76.3
184.09958	0.4
190.08644	1.8
217.09761	2.5
218.08147	22.1
257.95682	0.4
273.14618	0.7
288.17059	9.5
289.15451	23.9
331.17667	11.1
348.20325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.2
58.27610	0.7
60.05642	1.2
60.08162	0.9
63.79688	0.6
70.06580	4.4
72.08160	27.5
84.04473	0.9
84.08144	1.5
88.46878	0.7
89.88567	0.8
91.05492	1.4
97.06524	1.1
97.07649	3.9
98.06055	0.7
107.96561	0.7
114.10292	46.7
115.08665	6.6
119.04945	1.0
123.04423	3.8
126.02480	3.2
126.12854	0.8
127.03224	1.3
146.05978	0.9
163.03876	6.4
170.15443	1.7
176.07068	74.7
182.46144	0.8
183.09184	0.8
185.02234	0.8
185.09860	4.0
190.08661	1.8
199.88542	0.8
217.07922	0.8
217.09798	1.4
218.08144	22.0
219.95926	0.8
222.11188	3.4
227.36447	0.8
245.07478	3.6
260.09836	0.8
288.17026	7.4
289.15479	24.0
297.15613	1.4
302.29932	0.8
304.14792	5.6
331.13867	1.1
331.17682	12.2
348.13995	3.0
348.20306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46124	0.4
55.05508	0.6
56.05018	1.5
58.38033	0.4
67.05515	3.7
67.05822	0.5
69.07065	1.6
70.06592	2.1
72.08150	1.8
79.05499	0.9
81.07063	5.6
83.08647	0.5
84.04537	0.5
84.08142	0.7
86.81628	0.4
87.00821	0.9
87.23612	0.5
93.07047	0.8
95.08617	6.1
97.06578	0.5
107.08574	0.7
108.25702	0.5
109.10153	0.4
111.62296	0.5
121.10146	1.0
135.11696	2.3
145.10126	0.7
152.14368	1.9
154.15909	30.5
163.03958	0.7
163.11215	0.8
170.15401	100.0
172.04181	1.0
177.05495	0.5
180.13828	3.6
184.43288	0.5
198.14915	6.2
200.16415	5.2
213.75017	0.5
216.15950	44.1
233.78488	0.5
238.14388	0.8
244.15443	1.9
258.16992	5.4
262.16479	11.8
284.14951	0.8
302.15985	9.6
304.17679	1.6
330.15176	0.8
348.16544	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39519	0.3
67.10109	0.3
72.08137	0.4
77.14407	0.3
86.37433	0.3
93.07085	0.4
102.36857	0.4
114.09138	0.6
121.13632	0.3
149.52139	0.3
155.40419	0.3
174.10217	0.8
188.03365	0.3
201.05626	0.3
245.04445	52.0
263.05536	1.7
286.18985	0.4
288.86887	0.3
289.07071	100.0
304.20364	0.4
339.23981	0.6
348.14438	40.1
348.19138	1.7
348.24435	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2795
Annotation	2,3-Dihydroxypropyl 16-hydroxyhexadecanoate
Peak:m/z	Relative Intensity
53.33496	3.9
55.05505	18.6
57.07075	26.0
59.22459	5.3
60.14164	4.6
60.95041	4.0
67.05495	11.6
69.07060	27.5
71.08643	11.0
81.07068	25.7
83.08597	32.3
93.07053	10.9
94.37753	5.1
95.08606	27.0
97.06496	6.1
97.10157	24.3
107.08610	8.3
109.10171	10.7
135.11713	9.5
139.11235	6.0
153.12767	6.4
163.14828	5.8
197.33105	5.4
209.62236	5.6
219.21080	11.6
237.22163	11.4
255.23106	11.4
271.91193	5.2
329.26895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2195
Annotation	Cortexolone
Peak:m/z	Relative Intensity
54.36783	0.9
55.64447	0.9
56.87654	0.7
61.81621	0.8
62.05010	0.8
63.06178	1.1
68.43210	1.1
95.35365	0.9
114.34735	0.9
136.97096	1.0
141.44238	1.0
167.99120	1.0
268.05402	0.9
272.25870	1.1
310.08807	0.9
347.21930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.229
Annotation	Lys Ile Ser
Peak:m/z	Relative Intensity
51.00786	0.3
51.55140	0.3
56.05044	3.4
60.04533	0.7
60.05669	3.4
60.19857	0.4
65.33820	0.3
70.06593	2.0
72.08163	26.6
74.06108	0.4
83.08600	0.4
83.84444	0.4
84.05636	6.5
84.08150	16.7
84.31969	0.4
86.09711	4.7
87.05563	0.8
89.50870	0.4
93.07069	0.6
95.46389	0.4
95.94878	0.3
98.06065	0.4
101.10835	0.4
114.10271	1.6
129.10234	14.5
130.05003	0.7
130.08615	4.2
131.12938	0.5
137.09653	4.1
138.10341	0.4
147.07686	0.9
147.11319	3.0
154.12312	0.6
155.12929	2.2
173.12869	6.7
176.11855	0.7
183.11304	0.5
194.12912	3.3
196.14510	0.7
197.05565	0.5
197.16492	0.6
198.05870	0.6
212.13934	2.0
215.08530	1.7
223.19627	0.4
240.13408	4.7
258.14548	7.9
265.43433	0.4
276.15561	12.7
283.21280	0.6
294.18149	0.4
300.61612	0.4
301.22260	0.6
311.20715	0.7
328.10745	0.3
329.18210	0.9
329.21793	7.1
330.20297	0.7
347.22910	100.0
356.15842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16298	2.8
57.34392	2.6
93.64832	3.3
106.62194	2.8
135.08081	4.6
140.99223	2.8
165.61937	3.0
177.12708	4.3
214.76903	3.0
285.22159	3.6
347.18127	3.8
347.21985	100.0
347.25723	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	347.2196
Annotation	Cortexolone
Peak:m/z	Relative Intensity
51.32685	1.2
52.85213	1.4
61.86769	1.4
62.23988	1.4
66.38900	1.9
95.08627	1.8
103.67649	1.7
131.00185	2.4
137.41458	1.7
147.03136	2.7
149.01247	2.7
156.03619	14.1
191.57549	1.7
211.13715	1.7
290.36627	2.0
347.17325	24.8
347.21960	100.0
347.26102	3.9
347.67453	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	347.2196
Annotation	Cortexolone
Peak:m/z	Relative Intensity
51.99413	4.9
59.34735	5.6
151.34384	7.0
152.48416	5.9
157.47110	6.1
179.78693	7.0
207.18718	5.6
324.60794	6.4
347.21957	100.0
347.25812	8.7
352.33789	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	347.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
91.35918	3.1
98.40351	3.5
134.99216	3.2
142.31445	3.1
157.20157	3.5
168.99927	3.3
329.20850	19.8
347.21881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97990	0.3
59.98829	0.4
59.99121	9.7
61.97307	0.3
63.64166	0.4
70.22657	0.3
83.08643	0.5
87.28270	0.3
88.02222	46.7
116.05322	100.0
142.12573	0.4
243.67250	0.3
347.22098	5.0
347.25867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01882	1.1
84.04532	5.4
88.11288	18.2
98.06059	11.1
103.05486	11.7
110.14847	1.3
131.04932	100.0
153.13869	2.7
154.12277	3.1
157.19089	1.4
171.14906	18.3
197.59277	1.4
199.14423	22.0
200.12785	3.4
227.10655	5.4
231.10039	1.8
240.58952	1.5
247.95097	1.4
260.09311	2.4
269.15240	1.6
283.16891	3.3
329.17496	15.3
347.19415	26.5
347.23917	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	347.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	1.2
53.56581	1.0
55.05522	4.6
60.19855	1.0
60.51420	1.0
62.73174	1.1
63.79434	1.1
70.06571	1.2
72.08163	29.1
73.68276	1.0
74.06082	2.0
77.03920	1.6
83.15235	1.2
84.95090	1.4
86.09696	1.9
87.10031	2.0
89.10787	14.0
97.06529	11.7
98.06049	5.0
101.07137	1.3
115.05423	1.9
115.08701	2.7
124.71490	1.1
137.05995	2.3
144.08047	7.5
159.04370	1.8
161.05956	5.8
161.97276	1.5
163.03918	14.1
167.08589	2.3
168.08017	1.6
170.09634	4.3
173.05991	1.9
175.03905	3.0
177.05482	1.8
187.07495	7.5
187.14351	2.5
188.14728	2.9
189.05472	75.5
195.08070	6.4
197.05992	7.5
213.09103	4.6
215.04953	2.7
215.07031	76.1
216.14137	1.6
223.07545	1.6
231.10141	5.5
241.08580	8.6
259.09671	31.1
329.18723	2.9
330.16949	6.9
347.19638	100.0
364.37064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05520	3.9
55.40165	0.4
57.03443	0.5
58.06557	0.4
68.18550	0.5
69.07073	1.0
71.05002	0.7
72.08162	37.5
74.06084	0.9
79.05492	1.1
81.40283	0.5
86.09715	6.0
87.10022	2.4
89.10293	0.9
89.10800	17.1
94.64330	0.5
97.06539	24.7
98.06051	4.8
101.07128	2.1
102.07459	0.5
114.09129	0.5
115.05429	0.8
115.08698	4.6
143.04880	0.9
144.08112	0.7
145.06490	0.5
147.04300	0.6
153.07004	0.5
159.04410	1.2
160.05222	0.6
161.02344	2.6
161.05977	7.4
163.03902	16.4
167.08551	2.7
169.06494	0.7
169.10086	0.9
170.09666	1.2
171.08089	0.8
171.10513	0.6
173.02327	4.3
173.05960	2.5
175.03845	3.5
176.04666	1.1
177.05479	4.7
179.08397	0.6
185.06110	0.6
185.09660	0.8
187.07597	1.0
187.14421	3.5
188.14761	6.1
189.05473	76.4
195.08098	4.7
197.06030	2.7
197.09633	2.0
199.07637	2.2
201.05467	3.0
203.03485	0.6
203.07124	0.7
213.09119	6.2
215.07042	38.9
215.10419	1.4
215.13835	3.5
216.14221	3.3
217.05077	0.6
217.08681	2.5
223.07520	1.0
227.69653	0.5
231.10190	6.2
234.15242	0.7
241.08565	8.2
259.06921	1.1
259.09659	30.6
312.15765	1.3
329.18521	5.1
330.17004	6.2
347.19650	100.0
347.23141	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	347.1128
Annotation	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
50.69313	0.4
60.32273	0.4
69.58946	0.5
75.88167	0.4
79.91197	0.5
84.08128	3.0
84.33152	0.4
88.31578	0.4
91.05492	0.7
94.04235	0.6
95.04947	0.5
98.78922	0.5
109.06512	0.7
119.04919	0.8
121.06484	4.6
122.03659	1.9
134.03632	0.8
135.04456	1.8
137.05986	100.0
147.04390	0.9
149.05975	7.5
150.06769	0.8
151.07571	1.0
153.06966	3.3
161.06010	2.4
161.55347	0.5
163.03886	5.3
165.05530	2.0
165.06926	0.8
169.06546	0.6
177.05479	3.8
181.04942	7.7
181.06506	9.0
182.07399	0.7
193.05103	4.1
193.06551	0.8
195.08095	1.1
196.05328	0.7
197.06015	0.6
198.06784	1.8
205.05017	3.1
207.04427	1.0
209.06038	2.6
210.06696	1.9
211.07532	6.2
213.09035	5.2
215.07001	0.5
221.06000	1.0
222.06816	0.5
225.09061	1.0
226.06190	0.6
228.07867	0.8
235.03987	1.1
238.06232	2.8
239.07056	5.8
241.08540	2.7
251.06900	0.9
253.08627	1.2
256.07242	2.3
257.08087	0.9
267.06534	4.1
269.08160	2.1
271.09567	1.7
279.06595	2.8
283.09756	0.7
284.06921	0.7
285.07605	2.0
297.07654	7.1
299.09131	37.8
302.07828	0.8
311.09171	2.8
317.10178	19.5
329.10196	26.9
347.10886	6.2
347.19385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1125
Annotation	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
50.86024	1.0
55.05523	1.4
56.54038	1.0
70.06591	5.6
72.08157	18.2
79.05490	1.3
84.08140	1.9
85.02898	1.2
85.87430	1.0
86.09725	1.5
91.05473	9.6
93.07038	1.3
95.04946	2.2
103.05476	2.0
105.07050	1.6
107.04892	1.1
114.10297	1.8
115.88338	1.3
119.04938	18.9
121.02899	1.7
121.06499	31.8
121.07293	1.9
122.03671	1.3
122.72194	1.1
123.04381	1.6
124.05182	1.7
131.04953	1.2
133.06522	1.7
134.03625	4.6
135.04399	6.2
137.05981	100.0
147.04408	23.2
149.05972	41.1
150.06764	31.6
151.03925	6.9
151.07524	5.0
153.07018	2.0
161.05974	7.3
162.05540	1.2
162.06760	10.1
163.03896	13.0
165.05461	2.2
167.07100	1.9
175.03894	7.1
175.78627	1.3
177.05453	5.1
178.02553	11.7
179.07079	2.8
180.07793	2.8
181.04939	12.1
181.06487	7.2
193.04974	33.5
202.08817	1.1
205.04956	1.8
209.06010	1.5
211.07547	5.4
213.09171	6.4
216.06390	1.4
239.07062	2.8
241.08623	2.0
253.08704	1.8
256.07458	1.8
259.07089	9.1
273.11148	2.3
285.07513	2.5
297.07559	9.8
299.09155	33.0
317.10187	18.3
329.10123	21.8
347.11282	43.4
347.17178	12.2
347.50705	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	347.1127
Annotation	Angulifolin B
Peak:m/z	Relative Intensity
57.24312	0.7
88.76291	0.8
91.05479	5.1
95.04987	6.4
100.06326	0.9
104.77107	0.9
107.04942	1.5
112.46555	0.8
117.78349	0.9
119.04907	3.5
120.21506	0.8
121.06491	16.3
131.04926	1.1
134.03624	4.9
137.06004	3.7
140.04665	1.6
149.05978	9.6
151.03960	0.9
151.07391	1.3
153.06999	5.8
155.07048	1.9
155.08554	3.6
161.05931	1.3
163.03883	1.9
165.05623	2.2
165.06985	11.9
175.03972	1.8
178.02505	0.9
180.05725	1.0
181.04907	3.8
181.06442	21.3
182.07358	1.6
183.08073	17.5
193.04935	3.9
193.06451	1.6
196.05226	1.2
197.05930	1.7
198.06691	4.0
207.04367	1.6
209.05975	13.7
210.06746	1.5
211.07533	16.9
212.08356	1.8
213.09157	1.6
223.03763	1.0
223.07571	0.9
225.05554	1.4
226.06248	9.7
227.07010	5.4
228.07851	4.1
237.05380	6.7
239.07083	4.5
240.07784	1.4
241.04869	1.0
241.08646	11.1
242.09369	1.7
243.06490	1.9
243.10106	2.0
251.03462	1.3
251.07097	3.6
254.05705	8.7
255.06606	7.0
258.08774	1.2
265.04901	1.5
268.07214	1.6
269.08078	20.5
271.06015	4.3
281.04489	0.9
282.05319	1.6
286.08295	8.9
287.06427	1.0
287.09039	6.8
296.06876	1.3
297.07501	6.5
301.10800	1.9
314.07877	2.2
315.08621	29.4
329.10190	100.0
332.08603	1.2
347.11243	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.113
Annotation	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
56.82539	1.1
57.02818	1.1
64.08986	1.1
79.05495	1.5
81.07059	1.3
91.05496	1.3
93.52315	1.2
94.04186	1.2
97.06541	13.1
98.04142	1.1
121.06487	1.8
137.05992	100.0
145.02818	1.2
149.05971	6.9
153.06993	2.0
153.44789	1.1
161.02402	1.4
163.03940	10.7
165.05557	1.6
169.06410	1.3
170.09557	1.7
173.02376	2.6
177.05479	2.0
181.04941	6.8
181.06516	8.8
183.08182	1.3
193.04970	5.4
195.07980	2.3
205.04967	2.0
209.05885	1.3
211.07593	9.1
213.09090	3.0
215.07021	10.9
221.06030	1.5
235.03882	1.7
239.07080	5.2
240.07863	2.0
241.08650	3.1
256.07364	1.4
257.08212	1.4
259.09665	11.2
267.06531	2.1
269.08176	1.5
279.06467	2.0
284.06793	2.4
285.07510	1.7
297.07669	9.6
299.09177	43.5
311.09033	2.1
317.10190	25.1
329.10193	29.5
347.11441	5.9
347.19199	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	347.1128
Annotation	5,4'-Dihydroxy-6,7,8-trimethoxyflavanone
Peak:m/z	Relative Intensity
54.14056	3.0
54.72504	2.8
69.80318	3.2
84.04507	5.8
85.02905	3.5
91.05478	3.6
91.67606	3.7
95.04984	6.1
107.04964	4.1
114.09176	29.6
120.31574	3.7
121.02820	4.1
121.06497	15.0
122.27089	3.2
131.08565	16.4
133.06514	3.7
149.06012	8.5
157.10052	3.9
159.11703	37.6
165.06952	6.2
173.13199	27.4
181.06447	15.0
183.08073	18.7
201.12778	29.1
209.05974	13.8
211.07500	27.5
215.07150	6.0
226.06247	6.8
227.07074	4.9
237.05362	6.7
241.08678	19.2
255.06375	4.7
259.09607	5.0
269.08084	8.6
297.07596	8.5
315.08719	24.2
324.13077	4.2
329.10178	100.0
347.11356	64.3
347.19354	30.0
347.26947	4.0
359.58615	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	347.1128
Annotation	5,3'-dihydroxy-6,7,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
50.11153	1.0
52.11507	1.1
63.85348	1.0
70.72415	1.1
79.05479	1.2
86.09702	1.2
89.97124	1.3
91.05482	21.7
95.04961	6.3
107.04955	6.6
119.04939	19.5
123.04427	8.1
131.04889	2.8
133.02859	5.1
135.04431	1.2
140.04697	14.4
145.02843	5.1
147.04420	6.9
151.03905	1.8
155.07034	22.4
163.03882	14.3
165.05548	1.7
165.06972	4.5
167.07033	100.0
168.59567	1.4
175.03899	28.0
181.06483	2.5
193.06548	1.8
195.08041	4.6
211.07446	1.8
213.09122	1.4
221.06070	1.5
223.07663	2.3
225.05579	1.7
226.34940	1.5
236.04568	1.2
237.05440	2.0
239.06958	8.5
251.07092	6.3
253.96402	1.2
254.05656	1.4
256.07300	4.8
257.08066	2.5
265.05048	13.3
267.06506	2.9
268.07404	1.7
283.05991	2.2
283.09650	7.3
284.06708	1.3
285.07645	6.1
297.07629	4.9
299.09137	26.7
302.07782	15.4
311.09229	6.0
317.10202	32.2
329.10089	18.0
347.11163	6.5
347.19543	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	347.1127
Annotation	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
53.09977	0.5
55.05510	1.6
57.03446	0.8
58.87410	0.6
59.13787	0.7
69.03452	0.9
70.06563	1.0
72.08154	1.2
82.18937	0.7
83.08628	3.1
84.08144	0.8
85.02905	1.0
91.05502	6.8
93.07043	1.1
94.04169	0.8
95.04948	3.5
97.02940	0.9
101.68149	0.7
102.04721	0.8
105.07005	1.4
107.04994	0.8
109.06506	0.9
111.04405	1.0
119.04941	15.1
121.05692	1.2
121.06506	24.9
122.03632	1.5
123.04446	1.6
124.05224	4.2
125.05951	1.4
130.04143	1.6
133.06474	1.5
134.03632	4.5
135.04408	7.5
137.05981	100.0
147.04413	21.8
149.05995	32.5
150.06760	30.1
151.03918	2.8
151.07530	3.8
152.08369	1.3
161.06006	6.0
162.06744	11.5
163.03853	5.4
165.05492	1.1
175.03905	2.7
177.05476	3.8
178.02606	7.1
179.07083	3.6
181.04947	9.7
181.06506	7.9
191.03319	0.9
193.04961	25.5
193.06659	1.2
198.06781	1.3
205.05023	1.1
207.04460	1.3
209.06044	1.4
211.07539	5.8
212.08536	0.8
213.09195	5.6
221.05881	0.8
223.06021	1.1
235.03958	1.1
239.07043	3.7
240.07872	1.3
241.08661	3.4
253.08327	0.8
256.07349	1.5
257.08087	1.3
267.06598	3.7
271.71539	0.8
273.11154	1.4
279.06598	0.9
284.06750	1.3
285.07660	1.4
297.07544	8.8
299.09128	42.3
301.12518	1.0
317.10181	15.0
329.10172	23.6
347.11234	33.0
347.16019	1.5
360.40881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86024	1.0
55.05523	1.4
56.54038	1.0
70.06591	5.6
72.08157	18.2
79.05490	1.3
84.08140	1.9
85.02898	1.2
85.87430	1.0
86.09725	1.5
91.05473	9.6
93.07038	1.3
95.04946	2.2
103.05476	2.0
105.07050	1.6
107.04892	1.1
114.10297	1.8
115.88338	1.3
119.04938	18.9
121.02899	1.7
121.06499	31.8
121.07293	1.9
122.03671	1.3
122.72194	1.1
123.04381	1.6
124.05182	1.7
131.04953	1.2
133.06522	1.7
134.03625	4.6
135.04399	6.2
137.05981	100.0
147.04408	23.2
149.05972	41.1
150.06764	31.6
151.03925	6.9
151.07524	5.0
153.07018	2.0
161.05974	7.3
162.05540	1.2
162.06760	10.1
163.03896	13.0
165.05461	2.2
167.07100	1.9
175.03894	7.1
175.78627	1.3
177.05453	5.1
178.02553	11.7
179.07079	2.8
180.07793	2.8
181.04939	12.1
181.06487	7.2
193.04974	33.5
202.08817	1.1
205.04956	1.8
209.06010	1.5
211.07547	5.4
213.09171	6.4
216.06390	1.4
239.07062	2.8
241.08623	2.0
253.08704	1.8
256.07458	1.8
259.07089	9.1
273.11148	2.3
285.07513	2.5
297.07559	9.8
299.09155	33.0
317.10187	18.3
329.10123	21.8
347.11282	43.4
347.17178	12.2
347.50705	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	4.6
64.94645	0.3
68.77316	0.4
70.06276	0.5
70.06602	7.0
71.08627	2.4
84.61044	0.4
85.10191	0.6
88.07638	18.7
90.16260	0.4
90.69572	0.4
93.01534	0.4
102.08537	0.5
102.09191	11.0
108.00422	0.4
132.10152	0.7
150.11261	0.4
240.26846	5.2
284.29480	57.8
328.32217	4.0
346.33167	100.0
362.71890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64664	0.3
54.46482	0.3
57.07088	4.0
57.12791	0.3
58.06614	0.6
70.06595	6.2
85.10160	0.8
88.07637	22.0
92.17806	0.5
93.62222	0.4
102.09183	15.8
132.10211	0.9
150.11275	0.7
155.17014	0.5
213.55200	0.4
240.26871	0.8
248.05215	0.4
279.30637	0.4
284.29483	68.1
328.32028	5.3
346.33163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	3.9
65.22455	0.4
70.06596	7.0
71.08627	2.6
72.08137	0.5
82.41013	0.4
85.10183	1.0
88.07101	0.8
88.07635	21.8
90.18130	0.4
90.79118	0.4
102.09186	14.4
112.05100	0.4
120.26797	0.5
132.10194	0.6
146.11821	0.6
169.40483	0.4
185.38670	0.5
216.10362	0.5
239.03114	0.4
240.26863	1.7
284.29483	66.3
328.32181	4.3
346.33163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2747
Annotation	Himbacine
Peak:m/z	Relative Intensity
55.08199	0.8
57.03439	0.9
65.80675	0.9
69.07072	2.1
71.04993	1.4
72.75681	0.8
77.55276	0.8
95.08595	4.2
115.07576	7.6
117.05550	1.2
118.05820	1.0
120.08142	1.2
122.06071	1.7
125.91203	0.8
136.07605	1.7
138.09103	9.6
155.05911	0.9
173.37100	0.9
177.06142	0.9
180.13882	6.4
208.13332	100.0
222.14868	2.1
286.11517	1.2
314.11041	4.5
335.33221	1.0
346.13751	6.4
346.27420	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.6
65.90031	6.7
67.05503	45.2
68.43024	7.5
69.07068	25.9
71.05017	6.6
71.05824	5.9
79.05498	8.4
81.07062	38.7
83.08614	13.7
84.83693	8.0
84.90654	6.9
91.05455	8.7
93.07037	16.0
95.08610	16.1
97.10184	28.5
105.07018	12.8
107.08601	38.8
109.10172	78.5
119.08593	14.1
121.10134	11.0
125.09634	14.5
133.10170	8.3
135.11696	7.9
149.09631	10.5
155.10677	41.5
173.11766	100.0
189.11272	10.6
195.13840	33.6
213.14847	8.1
275.20035	81.4
293.21164	14.0
299.39789	7.2
314.10986	14.7
346.13525	13.3
346.22961	16.0
367.35376	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	346.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23969	0.3
55.05514	2.9
61.38198	0.3
63.64076	0.4
67.05486	0.6
70.02929	0.4
70.06583	1.6
72.08161	66.0
73.08485	2.2
74.02434	0.7
80.64123	0.4
82.06592	1.5
84.08141	0.8
85.06548	0.4
86.09712	35.8
86.99042	0.5
88.03990	9.7
96.08129	1.0
97.06516	0.4
98.02411	2.7
98.97591	0.9
99.09230	0.6
109.71207	0.4
115.05038	0.5
116.07110	0.4
117.12416	0.4
118.08655	1.8
119.08549	0.4
124.07601	1.5
127.08686	23.3
127.09628	0.8
128.07059	2.1
129.10217	0.7
131.01625	1.6
132.10216	8.3
138.05496	0.5
138.09169	6.0
141.10242	5.9
142.08647	29.0
152.07063	1.7
156.10204	3.2
163.03932	0.6
168.04868	0.5
169.09731	9.8
170.02647	0.6
170.06821	0.5
170.08147	5.1
170.09486	0.7
173.01170	0.5
183.11273	2.6
184.09691	1.6
184.97594	0.4
187.10783	100.0
201.12337	26.8
214.11826	0.6
215.10278	53.9
229.11835	14.1
231.17128	1.6
239.04436	0.4
280.15393	0.8
323.08951	0.4
328.18646	2.2
346.09369	0.8
346.12897	0.6
346.19177	5.0
346.60303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17849	0.3
53.49600	0.3
55.01884	7.5
55.23612	0.3
61.02931	0.6
61.34953	0.4
63.11432	0.3
63.85404	0.3
69.03433	0.7
71.42831	0.3
72.08163	2.7
77.03938	0.3
81.03436	0.6
85.02917	11.5
87.04470	0.4
91.03957	0.5
93.07047	0.4
97.02908	3.2
99.09162	0.5
100.05082	0.4
103.05432	0.4
107.04969	33.1
109.02908	0.8
114.05575	0.4
115.49919	0.4
121.06517	77.8
127.03926	2.0
137.05984	0.6
142.11778	0.6
145.04935	0.7
149.05997	100.0
150.06326	0.5
167.07050	91.9
177.05487	0.5
178.05804	0.8
180.08739	0.8
184.09654	0.5
187.03423	0.6
188.03754	0.5
193.79199	0.4
215.03140	0.4
216.03221	0.6
233.67329	0.4
237.10670	0.7
240.06168	0.4
275.91489	0.4
287.10489	1.8
308.17996	1.8
328.12735	0.4
346.11838	1.7
346.15396	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	346.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.9
58.97840	1.1
60.04537	1.7
62.42673	1.1
62.55597	1.1
70.06592	17.3
71.18285	1.1
72.08158	17.5
75.13007	1.0
76.21272	1.2
77.88135	1.1
77.89447	1.3
81.04518	1.8
82.58697	1.2
84.04478	1.6
84.08141	6.8
86.09704	1.9
88.03972	1.5
98.06062	1.4
120.08068	1.9
123.04428	3.0
133.97334	1.2
146.06091	1.7
157.10907	1.3
163.03915	9.1
167.08548	9.0
171.08057	4.7
177.07004	5.2
191.08420	10.3
194.07233	1.8
195.08066	51.3
195.09811	2.3
199.07533	11.0
203.08556	2.0
207.08076	2.4
209.09636	2.4
213.08994	10.5
214.09717	2.2
219.08055	42.8
221.09563	5.2
223.07521	32.1
225.09221	2.6
227.07048	14.6
237.09085	59.0
241.08594	67.6
242.09320	5.9
247.07628	2.2
249.05116	1.4
251.07103	6.5
254.11707	6.4
256.10834	14.9
259.09613	5.1
259.14297	1.3
265.08585	8.4
269.08084	8.6
283.09650	100.0
284.10281	2.8
286.08087	3.0
287.02362	1.5
287.09070	28.3
300.08963	2.3
300.12299	49.9
300.15665	2.3
308.76654	1.4
329.10229	92.1
346.09525	9.6
346.13422	54.1
346.18127	8.3
346.21661	3.0
346.26010	5.6
350.02689	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	346.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04765	0.2
56.05041	0.8
57.64410	0.3
61.02937	0.8
69.03428	1.3
70.06593	0.7
72.08159	0.7
73.21590	0.3
81.01318	0.3
84.05602	0.5
85.02915	2.6
85.24611	0.3
87.04477	0.3
97.02874	0.5
110.25152	0.3
126.06654	0.4
135.02075	0.3
136.06212	0.6
138.05435	0.5
147.84563	0.3
148.03940	15.2
166.04991	99.6
184.06049	100.0
188.06705	1.3
199.67921	0.3
204.27451	0.3
214.08214	0.4
328.14917	0.4
329.12054	0.5
346.11252	14.2
346.15942	3.7
346.19666	0.8
346.23038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08176	2.9
63.52733	0.7
70.06609	1.3
72.07803	1.2
72.08163	21.4
72.79289	0.6
73.02923	12.8
73.22612	0.7
84.04488	1.1
84.05628	1.0
84.08131	0.9
84.91837	0.7
86.09713	15.6
87.04475	15.0
94.49468	0.7
102.05526	3.1
104.10760	44.7
114.09093	0.9
115.09556	0.7
118.08628	0.9
133.02846	4.6
153.00044	2.5
154.97949	0.8
159.20006	0.9
161.02350	15.8
162.03101	1.5
162.07611	1.6
163.03880	19.2
168.99507	6.7
170.91534	0.7
177.05513	4.0
182.97502	6.8
183.11305	5.0
193.04985	1.4
195.02887	3.9
199.00591	10.0
199.18044	0.9
200.98540	17.0
201.12289	6.1
202.98174	0.8
205.04982	46.7
207.06433	1.1
219.08067	1.6
219.66127	0.8
221.04518	4.2
227.17543	3.1
229.11838	12.2
241.08374	1.1
242.99493	1.4
265.13214	0.9
269.01184	7.0
269.03824	0.8
283.09616	3.8
287.02197	84.2
310.22131	4.2
326.22708	0.9
328.23029	1.6
329.10260	2.8
346.09555	100.0
346.19482	3.9
346.24084	7.7
359.42349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2639
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.05513	21.6
57.07080	16.5
60.55746	3.0
61.02925	7.1
61.20276	3.6
67.05515	55.6
69.07085	47.3
71.08632	5.0
79.05502	19.5
80.07871	4.0
81.07069	86.6
81.77105	3.4
83.08632	44.4
91.05476	15.3
93.07063	27.1
95.08612	100.0
95.09182	6.6
97.06528	18.0
97.10192	38.2
105.07047	6.3
107.08611	29.3
109.10165	57.4
111.08086	8.3
111.11743	17.3
113.46669	4.1
119.08575	20.6
121.10143	53.5
123.08047	6.7
123.11687	29.1
125.09655	5.6
133.10168	26.1
135.11703	43.7
137.09650	5.0
137.13283	14.9
147.11708	21.4
149.13298	7.3
151.14870	6.6
161.13261	20.7
175.14845	8.0
193.19478	5.9
217.19511	35.6
235.20549	49.6
253.21602	60.8
262.98245	4.4
271.22723	8.9
277.21622	7.2
285.24240	4.2
295.22693	92.6
296.23096	6.9
313.23599	8.6
327.25327	20.7
345.26483	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	345.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.0
56.34491	0.8
57.03448	41.6
58.61152	0.9
61.02932	9.8
67.05508	1.7
69.07057	5.6
75.04480	1.0
77.61882	0.9
81.07053	6.4
83.08633	2.1
95.08592	8.8
100.79430	0.9
102.05093	0.9
109.10152	4.9
111.11713	1.3
117.05497	100.0
121.10143	1.0
131.04912	9.0
135.11581	1.1
137.05998	1.3
159.04413	1.3
167.07072	1.6
191.07054	6.3
207.08084	1.0
210.06758	1.7
219.51033	1.1
220.95430	1.1
221.05998	1.1
223.07516	1.2
225.09062	3.6
229.21544	3.6
238.06400	1.4
253.08618	4.8
267.10223	2.3
269.08066	1.1
270.08789	2.3
283.09549	1.3
284.10532	2.3
285.11176	4.0
295.09683	4.9
299.09097	4.6
313.10718	22.5
314.11453	2.1
327.25424	9.6
345.09308	1.1
345.13342	24.9
345.17377	1.0
345.22510	2.1
345.26456	4.5
349.06390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	100.0
70.06815	1.3
76.90253	1.1
83.70571	1.1
100.07626	7.8
103.60075	1.3
147.00285	1.2
156.13840	72.0
161.47102	1.5
171.26546	1.3
172.11589	1.4
233.08102	1.4
259.46390	1.1
261.07629	2.0
309.07495	1.3
327.08527	8.6
330.07318	1.6
345.09744	7.1
345.25623	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	345.2638
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.05521	1.4
57.03449	44.0
59.59277	0.8
61.02941	11.2
66.59783	0.8
67.05508	2.0
69.07084	3.3
75.04483	1.1
81.07069	5.9
83.08620	1.4
95.08607	9.2
109.10177	4.2
111.11756	1.1
117.05504	100.0
123.11708	0.9
137.13248	0.9
176.83676	0.9
191.07014	0.9
281.10635	0.9
313.10815	4.3
327.25317	8.0
345.13162	4.1
345.26410	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	345.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55889	0.4
54.15556	0.3
55.05520	0.3
59.36988	0.3
60.05659	18.9
69.07054	2.0
70.06234	0.7
70.06594	13.9
71.04996	6.0
72.08158	3.6
75.49695	0.3
79.05492	1.9
81.07065	11.2
91.21909	0.4
93.07049	6.2
95.08594	1.7
97.06501	0.6
97.14007	0.4
107.08596	6.6
109.10132	1.5
112.08738	2.1
114.10282	0.6
115.08681	1.7
116.07090	15.1
130.09790	7.6
135.11685	8.0
142.80910	0.5
153.12741	3.3
157.10829	1.0
158.09267	8.6
171.35899	0.4
175.11905	38.2
240.97314	0.5
253.11406	0.5
261.08633	0.5
300.22736	0.8
345.24969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.6
101.24980	0.4
110.48479	0.4
160.07573	35.3
161.08325	0.6
170.09727	0.9
174.09152	0.7
186.09142	100.0
187.09924	38.8
203.11763	0.8
217.13400	4.2
218.14139	38.2
345.21716	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2174
Annotation	Oxyphencyclimine
Peak:m/z	Relative Intensity
50.89300	0.3
51.92699	0.3
58.06586	0.8
62.63113	0.4
127.53021	0.4
127.87468	0.4
151.03932	0.4
152.48090	0.4
160.07576	37.7
161.08328	0.7
170.09631	0.8
174.09120	1.4
175.09796	0.3
176.35486	0.4
186.09142	100.0
187.09923	41.3
202.11066	0.4
217.13347	4.3
218.14145	38.8
345.21713	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	345.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90876	0.4
55.05514	4.7
55.10675	0.3
57.61889	0.4
64.36457	0.4
67.05522	0.9
69.03420	0.5
69.07059	1.1
70.02953	0.8
70.06589	1.0
72.08160	100.0
81.03426	0.9
81.07059	0.6
82.06606	1.9
83.04981	0.5
83.73209	0.4
84.04506	3.1
84.08145	2.5
85.02937	1.1
86.09710	24.1
86.28460	0.4
87.05585	11.3
88.04002	3.1
88.81961	0.5
89.10782	0.7
93.07013	0.6
95.04967	0.6
95.08600	1.0
96.08127	0.9
97.10155	0.8
98.02409	5.2
99.09224	2.8
107.08580	1.0
109.10151	0.9
110.02410	1.7
112.07611	2.1
115.05064	1.8
116.07096	0.6
118.08662	0.7
121.10068	0.5
123.08044	0.4
124.07565	3.2
125.09599	0.8
127.03871	1.0
127.08677	33.8
129.10249	2.8
130.05042	1.8
130.08615	3.0
131.04935	1.7
132.10210	11.5
135.11862	0.4
137.05975	1.7
138.09120	0.7
141.10233	41.4
143.11830	0.9
147.04332	0.4
151.07436	0.6
152.07053	9.2
153.09129	0.6
155.11864	0.5
157.09688	3.1
163.07516	0.9
163.11159	1.8
164.11487	0.7
166.08624	0.6
168.11392	0.7
168.13835	0.7
169.09709	28.1
175.14552	0.5
177.09119	3.5
181.08595	2.0
183.11389	0.9
186.12375	88.3
187.05934	0.4
197.09157	0.5
200.13992	3.0
201.09193	0.5
201.13861	0.7
211.07504	0.6
214.11864	65.6
228.13426	2.7
229.04950	0.7
229.08664	0.6
231.17073	3.5
239.07025	0.6
241.15459	2.4
257.08093	4.7
265.15454	0.7
269.15024	2.0
274.10754	1.0
286.17444	0.8
309.13950	0.6
311.15939	5.0
313.10706	0.5
327.16415	0.8
327.20197	2.3
328.18591	2.7
345.13068	2.8
345.17566	4.0
345.21606	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	345.1771
Annotation	RHODOTORULIC ACID
Peak:m/z	Relative Intensity
53.11625	1.1
53.42378	1.0
57.09476	1.1
58.06599	9.1
67.86353	1.2
68.05034	10.1
70.06597	37.2
70.56928	1.3
72.04509	2.3
72.08147	9.0
84.04501	1.4
84.08152	6.2
85.07661	5.3
86.06078	83.5
86.06608	3.3
86.07181	1.8
86.09712	3.0
88.11270	8.0
97.07621	2.2
98.06045	2.2
102.05582	1.6
107.08582	1.9
110.09647	1.6
111.05615	1.2
113.07137	23.8
114.05544	22.7
116.07101	5.6
123.05554	9.1
127.08685	31.6
128.07086	29.4
129.10315	2.4
130.05064	1.8
131.08171	42.5
132.04462	7.2
135.08083	1.9
137.05960	1.5
145.09726	17.8
152.10710	7.2
155.08083	2.4
165.07477	1.4
167.08214	2.5
170.11792	7.7
173.09236	6.0
181.09756	2.3
188.10747	6.5
192.11365	5.9
193.09741	8.4
195.11304	24.7
198.09192	1.9
200.10721	3.3
208.10844	1.9
210.12350	11.1
214.08742	1.7
214.12294	14.4
226.11928	6.7
228.13495	9.9
244.02818	8.2
244.09813	12.3
254.60255	1.4
258.04303	3.1
258.11227	7.5
259.11926	6.2
268.15280	1.8
270.14471	6.8
284.11533	7.0
285.15582	34.8
299.16071	2.0
301.15408	2.0
302.12598	6.9
303.16608	16.8
327.16678	12.0
345.14029	86.3
345.17728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68864	0.3
69.41774	0.3
72.08156	0.5
76.46560	0.4
79.05515	0.3
81.07061	0.4
81.29257	0.3
86.09680	1.5
89.90740	0.3
91.05457	0.8
102.05550	0.4
103.05491	4.2
107.04935	0.4
107.08611	0.7
109.06571	0.3
117.07026	2.6
119.04967	0.4
119.08611	0.6
121.06496	1.8
123.08096	0.5
131.04018	0.7
131.04941	15.3
135.08044	1.6
135.11595	0.3
137.05991	44.9
143.08595	0.8
145.06543	1.4
147.08124	0.4
149.05980	1.6
149.09628	0.9
151.07558	14.5
161.05971	0.5
162.06693	0.7
163.07547	41.8
171.08035	0.5
175.07552	5.1
176.98843	0.4
177.09116	100.0
188.80455	0.4
195.10201	7.5
203.10701	1.4
221.11737	13.8
267.10278	0.5
299.12790	1.8
327.11627	0.4
327.15952	0.7
345.13248	0.4
345.17169	0.8
345.20956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24702	0.5
72.08152	2.4
72.88738	0.5
80.09061	0.6
85.72850	0.6
85.97075	0.5
86.09716	0.5
93.07029	0.8
103.05482	3.4
105.07035	0.7
117.07039	2.2
121.06513	1.4
131.04939	15.5
135.08075	1.0
137.05991	45.1
143.08510	0.7
149.06075	0.8
149.09639	0.9
151.07555	13.3
163.07541	44.9
163.87299	0.6
168.56285	0.6
171.08051	1.3
174.98331	0.6
175.07506	4.6
177.09105	100.0
186.12355	2.4
195.10184	11.7
203.10730	0.9
204.17169	0.6
214.11832	2.5
221.11751	16.9
237.21216	0.7
299.12741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1337
Annotation	6-Methoxycomaparvin 5-methyl ether
Peak:m/z	Relative Intensity
57.18982	1.2
65.03926	1.9
67.05499	1.9
69.07049	1.8
70.06566	1.6
72.08134	6.6
81.07041	3.0
83.04935	1.3
84.08119	1.3
85.02904	1.3
93.07067	2.0
95.08620	1.9
96.02116	1.4
103.05486	1.7
105.07035	1.6
107.08566	1.4
109.10152	1.7
111.04455	13.9
111.24963	1.4
119.08532	1.7
121.06507	1.7
123.11677	1.6
131.04945	19.1
135.08121	1.4
137.05965	1.7
139.03903	9.7
147.08044	1.3
148.35071	1.3
153.05487	1.6
159.07979	2.8
160.08839	4.8
161.05956	5.5
161.09583	1.9
167.03311	2.8
173.70886	1.4
179.08560	2.2
180.54817	1.3
183.07919	1.4
185.09642	1.7
187.07596	2.9
188.08247	5.4
191.07034	2.8
197.05850	1.7
197.09657	1.5
198.06732	9.4
206.07338	1.6
207.07965	3.2
211.07523	8.8
211.11113	2.5
213.05472	2.5
213.09009	1.7
221.06001	2.3
221.09628	1.8
223.07597	2.8
224.08307	2.1
225.09129	2.9
226.06105	2.6
228.07883	1.9
235.07472	4.8
238.06049	1.4
238.09843	7.5
239.06960	16.5
239.10619	15.4
241.08510	6.2
243.06552	10.5
249.09053	1.9
252.07791	3.2
253.08565	8.7
253.12262	4.9
255.06522	4.5
256.07230	10.4
256.11026	2.7
263.14069	1.8
266.09354	1.4
267.06573	5.7
267.10095	25.7
268.07275	18.0
269.08102	18.2
270.08691	1.8
271.09659	6.4
271.13095	2.0
281.08319	1.8
281.11581	2.0
281.15332	1.4
284.06854	4.9
284.10370	12.9
285.11148	2.9
295.09607	9.3
296.10385	8.4
296.13422	1.5
299.05762	2.8
299.09201	58.8
299.12759	9.6
299.16440	6.4
313.10678	23.9
327.12320	51.9
327.15866	4.0
345.06329	2.5
345.13260	100.0
345.16672	4.3
345.19974	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	345.1334
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
55.63978	1.0
60.15872	0.9
62.83912	1.0
65.42492	1.1
78.08694	1.0
95.46192	1.4
117.60902	1.1
121.06548	1.3
125.06028	1.1
131.04875	1.2
137.05986	19.2
143.04919	2.6
144.08101	6.5
149.06007	5.4
151.03900	1.3
153.05417	4.2
161.05940	19.8
165.07005	1.6
170.09625	10.9
171.10400	1.9
175.07570	5.5
179.07069	1.7
188.04691	5.9
191.06987	1.9
193.06502	8.1
202.14670	2.6
203.07063	13.2
207.07973	1.5
210.06735	2.1
218.67096	1.0
221.06013	23.6
224.08333	2.6
225.09102	27.1
235.07637	2.2
238.06262	4.1
239.10657	2.6
249.09111	4.6
252.07747	1.6
253.08588	62.6
267.10165	23.8
270.08887	5.0
273.16611	4.4
276.66418	1.2
277.08582	6.5
285.11206	100.0
294.08774	1.3
295.09680	5.1
309.11249	11.2
313.10654	2.3
327.12265	81.8
345.13483	17.4
345.19373	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	345.1331
Annotation	6-Methoxycomaparvin 5-methyl ether
Peak:m/z	Relative Intensity
56.73974	1.1
60.78734	1.1
61.81972	1.1
67.78656	1.1
73.01945	1.2
74.75491	1.4
111.04446	15.1
131.04890	6.6
139.03923	12.9
151.96252	1.3
157.06512	1.9
159.06746	1.2
159.08015	2.2
160.08755	2.9
161.05884	2.1
165.07042	1.4
167.03421	2.4
167.88643	1.2
170.09724	1.7
179.08560	5.5
181.06583	2.1
183.08064	1.5
187.07536	1.7
187.92215	1.4
188.08322	5.0
191.07013	5.7
195.08128	2.1
198.06760	10.3
207.08070	5.5
210.06741	2.4
211.07562	6.0
221.09697	2.4
223.07509	4.7
224.08388	4.7
225.09065	5.3
226.06187	2.0
235.07574	2.8
238.06282	2.2
238.09897	5.6
239.07039	21.2
239.10645	10.3
241.08510	5.4
243.06482	7.6
251.06921	2.2
252.07874	2.2
253.08598	9.2
253.12305	5.5
255.06451	1.9
256.07297	10.9
256.10849	1.4
263.07086	1.8
267.06912	2.5
267.10172	20.9
268.07361	12.7
268.09845	1.3
269.08163	16.2
270.08945	2.7
271.09692	5.3
281.08099	3.0
283.06680	1.4
283.09894	1.9
284.06851	5.0
284.10428	12.0
285.11298	5.5
286.08383	2.7
295.09656	11.1
296.10519	9.5
299.09192	56.8
299.12744	8.4
313.10715	29.1
314.11572	2.7
327.12253	46.6
327.16089	2.8
341.64969	1.4
345.13345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1335
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
51.19943	0.7
51.81492	0.7
54.50910	0.8
55.01876	0.8
62.80597	0.7
64.65462	0.7
65.03944	1.8
66.15111	0.8
66.63569	0.8
88.24346	0.8
93.03414	1.6
96.02111	1.6
107.04990	1.4
111.03762	1.0
111.04446	16.7
119.04956	0.9
129.06982	1.3
131.04938	5.0
137.05992	3.7
139.03914	13.9
144.08070	1.8
145.06519	1.0
153.05479	1.4
159.08054	1.9
160.08813	5.1
161.05977	5.4
161.09598	1.9
165.06964	1.0
167.03421	4.5
167.08505	1.0
170.09686	5.8
175.07532	1.0
179.08595	3.3
181.06476	1.1
183.07953	2.0
187.07497	0.9
188.08411	7.2
189.09052	1.1
191.06998	2.1
193.06419	1.1
195.08012	3.5
197.09648	1.9
198.06757	9.7
200.08353	1.2
207.08055	4.5
210.06732	4.1
211.07649	8.8
211.11249	3.5
213.09143	1.6
221.06021	3.7
221.09596	1.6
223.07547	4.5
224.04706	1.4
224.08366	4.7
225.09123	7.5
226.06230	3.9
227.07104	1.3
228.07796	3.5
228.11351	1.3
235.07532	3.8
238.06252	1.9
238.09874	6.0
239.07002	16.1
239.10689	11.6
240.07843	1.4
241.08632	6.6
243.06551	8.2
249.09009	1.7
251.07127	2.1
252.04150	1.4
252.07854	4.3
253.08568	12.7
253.12241	3.8
255.06381	1.2
256.07312	12.1
256.09830	1.1
256.11044	1.3
266.09305	2.2
267.06708	4.4
267.10135	27.9
268.07291	15.5
268.10330	1.9
269.08096	16.2
270.08914	1.5
271.09650	8.0
271.13123	3.3
281.08194	1.8
281.11829	2.0
283.09668	1.0
284.06793	4.0
284.10443	8.5
285.11230	14.6
286.08408	3.4
295.09558	8.0
296.10468	7.3
297.11215	3.4
299.05704	2.0
299.09198	57.2
299.12778	8.5
309.11096	1.3
312.09753	1.2
313.10663	20.8
314.11545	1.0
327.12274	56.1
344.71054	4.0
345.13333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1335
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
54.49316	1.1
55.05522	1.0
67.57596	0.9
69.77580	1.2
72.02860	1.0
87.36267	1.1
95.04967	5.6
105.07014	1.3
107.04942	2.5
108.15609	1.6
117.06982	1.9
119.04948	1.3
121.06507	4.8
123.04368	1.9
131.04927	84.2
133.06506	5.6
137.05986	5.8
140.04706	7.1
142.03244	2.8
145.06488	15.5
149.06056	1.7
153.05505	1.7
155.07057	10.8
161.05969	5.5
165.05476	1.5
165.06935	1.7
167.07033	7.3
170.02721	1.4
173.05978	50.1
175.07507	9.5
177.09180	1.6
179.07011	4.9
179.08543	4.7
182.07222	1.4
191.06987	9.3
193.06575	4.8
195.08112	1.6
197.09590	5.2
207.08113	13.3
210.06750	5.3
211.07373	2.4
221.06081	8.4
221.09576	1.1
223.07375	1.7
224.08247	1.9
225.09084	35.5
235.07506	17.6
237.09210	1.7
238.06314	2.2
239.07085	1.3
239.10654	1.5
252.07802	2.3
253.08568	39.3
263.07141	2.1
265.08615	2.6
267.10132	18.3
270.08902	1.7
277.08554	6.4
285.11191	45.7
294.09006	1.3
295.09674	17.3
309.11218	5.5
313.10730	4.4
327.12247	100.0
345.13312	22.3
345.16946	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	345.1344
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
61.81516	0.7
72.08160	0.9
78.31249	0.7
85.31178	0.7
97.83718	0.8
109.06492	0.9
115.05478	1.5
125.05988	1.2
131.04897	1.0
135.08064	3.2
137.05984	23.3
142.03221	4.2
143.04916	3.9
149.06001	4.4
151.03865	1.2
151.07530	1.2
153.05475	4.7
161.05963	26.5
163.07555	3.2
165.05557	0.8
165.06999	3.3
175.07544	5.2
177.09132	1.3
179.07066	1.3
179.08530	1.6
188.04683	6.2
191.07092	3.0
193.06546	10.1
197.09659	1.6
203.07031	13.0
205.08743	0.8
207.08044	4.8
210.06769	5.9
211.07530	1.6
221.05991	29.6
221.08069	1.3
222.06721	0.9
224.08336	3.4
225.09079	29.1
235.07602	3.8
238.06256	5.2
239.07027	0.9
239.10687	4.0
249.09108	4.2
251.06889	1.0
252.07823	3.8
253.08583	66.7
254.09409	1.6
255.06575	0.9
257.11612	0.9
263.07156	0.9
266.09067	1.3
267.10162	24.1
267.12833	1.3
270.08801	7.7
270.74258	0.8
277.08661	5.1
280.07407	1.7
285.11206	100.0
294.08765	3.3
295.09641	5.2
309.11157	11.4
313.10904	1.4
327.12247	81.0
345.13336	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	345.1331
Annotation	6-Methoxycomaparvin 5-methyl ether
Peak:m/z	Relative Intensity
54.25240	1.2
57.20921	1.1
65.03931	1.8
75.49892	1.3
79.20377	1.5
107.30719	1.3
111.04453	18.5
131.04926	3.1
137.05940	2.1
139.03908	12.2
159.08072	2.4
160.08891	2.0
161.05981	1.6
161.09621	1.9
167.03378	2.1
179.08521	2.2
181.06525	1.9
187.07495	1.7
188.08324	5.4
195.08032	1.4
198.06670	11.3
199.07567	1.9
207.08069	6.0
209.06062	1.5
210.06789	2.2
211.07573	6.5
211.11263	3.4
213.05504	1.7
221.09592	1.7
223.07489	2.8
224.08311	5.3
225.09106	3.2
235.07632	1.8
238.09894	8.0
239.06978	18.2
239.10623	10.1
240.07828	3.0
241.08516	7.5
243.06496	9.5
252.07872	5.4
253.08598	7.9
253.12367	2.4
255.06714	1.6
256.07324	13.2
256.10944	1.7
258.08817	1.8
267.06839	3.1
267.10147	28.4
268.07312	17.7
268.10251	2.1
269.07999	15.8
271.09689	7.4
271.13266	2.2
281.08014	5.9
281.11359	1.8
284.06775	5.6
284.10406	12.8
285.11139	2.3
286.08212	2.8
295.09637	7.4
296.10498	7.1
299.09171	65.7
299.12665	8.1
313.10672	26.1
327.12268	48.0
342.60095	1.5
345.13333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1159
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
56.37863	0.4
63.80017	0.4
68.62188	0.5
72.08148	1.9
72.59686	0.5
84.31247	0.5
86.09732	4.4
100.11254	1.1
101.11580	0.8
102.67952	0.5
117.06914	0.5
128.26959	0.5
137.05988	1.8
161.05977	0.8
163.03922	1.0
169.17311	0.5
199.11687	0.6
200.09283	0.5
253.08421	0.5
285.11368	1.0
301.12579	5.8
327.12210	0.6
345.11536	100.0
345.22156	4.2
346.02155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.097
Annotation	Clinopodic acid A
Peak:m/z	Relative Intensity
50.72526	0.5
53.46681	0.5
66.52006	0.6
70.06608	0.7
72.08159	7.1
97.07670	0.8
99.09238	0.8
107.04964	1.1
114.10313	0.7
115.08721	0.8
115.16211	0.7
121.02831	1.3
123.04442	1.5
131.04904	3.0
135.04414	0.9
137.05992	24.1
141.11395	1.4
145.02847	13.7
147.04434	15.2
149.05977	1.0
151.03912	10.3
161.05942	1.3
163.03868	0.9
163.07539	0.8
166.08649	1.1
167.03384	15.1
175.03897	16.2
176.04709	3.2
177.01820	4.2
177.05470	26.9
183.08058	1.0
187.03314	1.1
191.07095	1.0
195.02859	6.9
197.06012	1.6
203.03453	0.9
208.83168	0.7
210.06897	1.0
211.07507	5.3
213.08975	0.9
215.06940	1.1
221.05977	6.7
225.08978	1.5
229.08464	0.9
235.56883	0.7
236.10313	4.1
238.06296	0.9
239.07076	13.3
249.05449	11.4
253.08568	5.1
257.08270	1.5
266.05746	3.8
267.06506	16.9
271.09738	3.4
277.04956	4.3
281.08105	7.2
284.06827	13.4
285.11224	4.6
286.10162	2.8
294.05249	1.7
295.09586	2.8
299.09140	54.8
307.17648	1.7
309.07602	6.5
309.11124	1.4
313.10611	5.7
326.48456	0.8
327.08643	100.0
327.11850	4.1
345.09680	8.4
345.14920	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	345.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23700	0.4
65.03188	0.4
71.19878	0.5
85.02910	0.9
94.04449	0.5
98.97588	0.9
119.01891	0.6
154.03423	0.5
166.07622	0.5
177.00958	0.9
182.99962	1.9
200.98273	1.0
201.00923	10.6
219.02010	100.0
221.02432	0.5
224.98354	1.0
242.03580	3.7
242.99347	0.7
249.93410	0.5
256.96671	6.0
273.80493	0.5
279.98093	0.7
280.96857	2.2
285.00348	0.6
298.97714	31.3
303.98102	0.8
305.02402	0.5
321.99280	21.6
327.05466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59146	0.4
53.01912	0.4
55.05505	0.5
57.07084	3.8
58.14635	0.5
60.27652	0.5
67.00951	0.4
67.05495	0.7
69.07054	0.6
69.15255	0.5
69.61162	0.4
70.06602	13.0
71.08626	3.3
76.60976	0.5
79.29219	0.5
83.08598	0.7
85.10155	0.8
88.07634	58.5
95.08635	1.7
95.09204	0.6
102.87917	0.6
103.50640	0.5
106.08675	100.0
109.10179	1.0
131.47176	0.5
161.96976	0.6
172.75089	0.5
190.80052	0.5
283.26324	16.1
311.29126	0.6
326.30566	3.1
339.87259	0.5
344.01871	0.6
344.31601	49.4
358.57278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86348	19.4
58.55153	21.1
63.44700	24.7
67.05500	54.5
71.08621	25.0
74.06094	21.7
74.48653	22.4
81.07072	29.4
82.99916	22.7
88.07617	48.4
93.07040	44.3
95.08564	30.7
107.08620	45.6
109.10172	47.8
173.11687	31.5
187.13336	33.5
195.13762	25.7
198.04161	30.1
258.77850	25.0
303.19327	40.5
344.25443	30.6
344.31699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94508	2.6
53.64847	2.6
55.05511	18.6
67.05510	13.9
69.03423	4.9
69.07078	5.4
71.08636	27.1
73.29920	2.9
79.05494	4.3
81.07062	13.4
83.08627	17.4
91.41537	2.7
93.07099	9.7
95.08621	5.8
97.10166	81.8
99.08112	28.3
101.00547	3.2
107.08614	35.7
109.10165	6.5
111.08075	4.5
121.10126	4.7
125.09642	100.0
135.08067	19.1
142.25354	3.0
147.11638	3.0
147.36484	3.2
150.41127	2.8
151.11230	7.3
153.09125	11.6
157.12244	5.2
203.12773	78.5
214.92509	6.8
225.18452	6.2
228.94081	12.2
232.93561	6.2
246.95279	5.6
270.95276	4.8
277.21680	27.5
289.08212	2.9
291.23203	15.9
302.97690	24.8
309.24258	97.2
344.22720	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	344.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11549	4.2
55.01881	6.7
55.05524	48.6
57.03448	8.1
57.07068	9.4
66.40926	4.4
67.05514	59.6
69.03432	6.7
69.07084	54.8
71.08646	40.1
79.05500	59.1
81.07069	90.4
83.04990	34.4
83.08630	27.4
85.06561	5.6
91.05481	26.8
93.07054	100.0
95.04957	20.3
95.08620	63.8
96.51832	4.3
97.06532	24.3
97.10186	8.4
99.08102	37.9
100.11256	6.2
100.12424	4.3
105.07045	28.1
106.30148	5.3
107.08630	54.0
109.10182	23.2
111.08093	5.1
113.71568	4.7
117.07018	6.6
119.08584	21.5
121.10141	32.4
123.08040	5.3
125.20504	4.4
129.07025	6.3
131.08571	9.5
133.10120	36.9
135.11720	27.0
139.11188	58.1
145.10181	17.7
147.11678	29.3
148.65657	4.2
149.13301	23.4
151.11220	20.9
157.10120	5.3
159.11691	10.7
161.13266	32.0
163.11217	7.3
163.14772	6.2
163.58498	4.6
175.14774	8.8
177.12701	9.9
186.53404	4.8
193.12292	6.9
195.13771	11.5
241.19518	21.0
249.22202	8.7
259.20660	27.0
265.21655	6.8
277.21680	87.3
291.23187	53.9
292.57101	4.7
309.24341	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	25.4
61.88532	20.4
67.05523	34.4
69.07053	47.4
71.04996	29.2
79.05481	31.8
81.07052	55.5
83.08649	32.2
93.07043	100.0
95.08627	51.5
107.08642	39.8
135.11696	38.4
139.11186	25.5
151.21262	27.1
277.21631	99.7
278.34406	23.8
291.23264	34.9
309.24347	37.8
351.97064	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22925	2.0
51.33175	2.2
55.05503	9.8
56.29556	2.2
57.03442	9.6
63.75776	2.4
67.05515	18.5
69.07072	31.5
71.04976	10.0
74.49569	2.3
79.05516	21.5
79.05894	2.5
79.43792	2.0
79.81813	2.2
81.03433	14.6
81.07075	27.4
83.04960	2.9
83.08616	4.5
85.06515	3.1
89.84086	2.4
91.05487	8.8
93.07038	26.2
95.04954	22.0
95.08599	15.0
97.05934	3.8
97.06536	100.0
99.08066	5.2
103.59660	2.2
105.07010	16.6
107.04930	2.7
107.08585	9.2
109.06525	10.5
109.10133	3.5
111.08047	4.3
113.05997	2.9
115.07549	26.1
117.07009	3.9
119.08572	4.4
121.06539	3.3
121.10125	5.2
125.09629	2.4
131.08571	9.7
133.10129	14.6
135.08096	3.2
135.11720	3.6
143.08618	2.8
145.10109	9.6
147.11713	3.2
149.13275	2.9
157.10123	4.4
159.11687	10.8
161.09538	2.5
173.13226	2.8
177.12733	9.2
195.13853	9.9
217.16005	2.9
223.13394	3.0
240.13832	3.6
273.18542	3.4
286.14365	4.2
291.19531	16.5
312.09476	9.8
326.21701	2.6
344.12323	12.8
344.18759	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	344.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26996	0.4
51.84938	0.5
69.07059	2.5
69.81925	0.5
79.05472	0.7
81.07043	1.2
83.04984	0.8
86.09713	100.0
86.80845	0.6
91.05456	0.9
93.07047	8.4
95.04951	2.2
95.08599	3.4
97.06526	4.3
105.03487	0.6
105.07016	1.1
107.08604	19.1
109.06524	2.3
109.10158	2.6
119.07813	1.1
119.08590	22.6
121.10144	6.1
123.08056	3.6
125.06031	0.9
125.09634	5.1
130.08615	1.0
131.08557	7.1
132.10208	36.5
133.10141	0.8
135.08055	13.0
137.05983	0.7
147.08080	1.2
149.09633	12.1
149.17343	0.6
151.11217	1.0
153.09114	7.9
159.08015	4.7
165.09174	1.0
167.10622	1.3
177.09154	5.7
177.64546	0.6
194.11749	0.7
194.15485	0.9
195.10158	10.8
203.03377	0.6
208.13373	5.9
212.12895	0.7
220.17049	1.0
232.16963	9.0
240.15913	3.0
244.16934	1.3
262.18060	6.1
278.17465	7.8
280.19089	20.3
290.17465	1.1
296.18713	1.1
308.18539	9.5
326.19632	73.2
344.16425	1.3
344.20685	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	344.197
Annotation	(R)-betaxolol HCl
Peak:m/z	Relative Intensity
50.29793	0.6
51.29505	0.5
53.06609	0.6
57.90612	0.6
70.06587	0.8
72.08152	2.5
79.78128	0.6
86.09701	1.2
89.70152	0.6
91.05428	0.8
105.07027	0.9
107.04934	0.8
107.08584	0.7
132.08076	3.5
136.07521	1.1
144.08092	74.1
145.08844	5.0
148.07622	0.9
156.06586	0.9
158.09650	1.1
163.03908	1.5
164.04314	1.0
167.07013	0.7
170.09637	70.3
171.10426	14.3
173.10669	1.1
178.08708	0.8
187.12370	8.3
188.13081	36.6
198.11205	1.1
216.12366	1.2
224.10750	2.8
226.65109	0.8
269.16498	3.7
344.12222	4.2
344.19702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66235	0.5
56.05038	1.6
60.04503	0.6
61.51165	0.6
62.06092	1.0
67.05216	0.7
67.05516	10.4
70.06616	1.0
72.08137	3.7
79.05495	1.6
79.59348	0.8
81.07027	1.7
83.06112	21.8
84.04511	24.7
84.08125	3.4
85.02895	1.5
86.06060	1.3
86.09689	1.6
86.82008	0.6
91.05449	1.2
93.07034	4.6
93.38010	0.7
95.08593	1.7
95.18050	0.7
98.06056	0.7
101.07158	17.0
102.05534	3.4
104.19768	0.7
107.04924	0.8
107.08614	7.7
109.10157	14.3
110.09699	5.9
112.11224	2.9
116.07118	2.4
116.32813	0.7
117.07025	0.9
123.08054	0.9
124.11221	9.9
127.03894	0.9
128.00018	0.7
128.07127	0.9
129.06601	52.5
130.04024	0.9
130.05009	22.1
134.09666	5.4
135.08049	13.9
136.07497	0.8
145.02811	1.0
146.03172	2.9
147.07643	13.2
152.10713	73.2
153.09117	1.0
163.03902	17.7
164.04236	30.3
164.07031	1.5
169.13333	5.1
170.11760	36.1
182.08107	3.1
190.12378	1.0
198.11229	7.3
215.13893	3.8
216.12204	1.1
218.11743	3.6
236.12830	6.1
253.15280	1.1
263.13834	1.5
264.12338	3.0
281.14990	4.8
298.17694	6.6
299.15955	3.7
309.14502	1.3
326.07831	1.0
326.17291	1.4
327.11783	1.2
327.15448	14.0
344.06226	1.8
344.09381	3.7
344.18146	100.0
344.25299	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	0.5
69.03413	1.7
70.06597	5.0
77.61573	0.4
84.04527	0.4
85.02902	8.2
85.55901	0.4
86.09705	0.6
88.04008	0.7
91.05484	2.6
95.04975	1.8
97.02895	2.1
103.05469	15.4
109.02889	0.5
113.21022	0.4
119.04920	0.8
121.06492	8.1
123.04428	48.0
127.03950	0.9
145.04964	0.8
147.04410	100.0
156.06255	0.4
156.46410	0.4
165.05464	83.3
180.08665	0.8
182.08044	0.6
209.76193	0.4
344.13309	1.7
344.17371	0.8
345.63245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.8
56.38537	0.4
59.04993	0.7
62.06084	2.7
63.16474	0.4
66.09091	0.4
67.89951	0.4
70.06589	2.5
72.08138	2.8
73.02924	0.6
76.02229	0.6
79.05488	0.9
81.07037	2.4
83.04983	6.9
84.08137	0.8
86.06072	22.7
86.09715	0.9
88.03954	0.6
91.05470	0.6
94.84167	0.4
95.08602	0.7
96.08105	0.7
98.06097	0.6
98.09691	3.4
99.70548	0.5
100.07568	0.5
100.24220	0.5
101.02374	3.7
101.06023	10.5
105.00082	0.7
105.07021	1.8
107.04958	2.4
108.08103	0.7
109.06540	6.3
111.04448	13.9
111.08089	5.3
112.43484	0.5
114.10338	0.6
116.10728	10.6
121.08901	0.7
122.02747	4.6
123.04421	0.6
126.05530	0.8
129.05490	2.6
131.04910	1.0
131.08548	2.7
134.09669	3.1
135.04425	2.3
136.07607	0.7
137.05977	7.9
138.06339	0.6
138.09122	0.8
145.04955	0.6
149.05986	1.9
152.10695	5.3
154.08617	3.0
155.06993	6.3
159.08040	3.6
163.03891	2.9
163.11218	0.6
164.04265	1.0
164.11629	0.7
165.04192	0.6
168.04707	0.5
168.10242	0.5
170.09706	0.6
170.11768	6.6
172.09659	0.7
173.08095	14.1
175.07501	0.9
176.07770	0.7
177.09122	0.8
179.48079	0.5
180.10211	7.2
187.07529	0.9
198.11258	100.0
205.08652	4.1
216.12309	57.9
223.09666	1.9
244.15468	1.0
307.47171	0.5
326.10553	2.5
326.15979	16.8
344.12027	2.2
344.17017	22.7
344.28091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37636	0.2
57.07080	2.3
58.06595	1.2
67.05489	0.5
69.07062	0.3
71.08651	1.9
77.23030	0.2
80.72160	0.2
81.07051	1.0
83.08636	1.5
85.10172	1.3
95.04945	0.3
95.08614	2.5
97.10168	0.3
105.07055	0.2
109.10167	2.9
121.10187	0.3
123.11705	0.5
157.98932	0.2
161.80740	0.2
163.03864	0.5
165.16443	0.3
183.17448	5.1
224.21384	0.3
240.23224	100.0
300.09921	0.5
315.12250	0.4
343.11801	5.9
343.29498	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06342	0.1
50.78620	0.2
55.05496	0.2
59.05001	0.2
60.05645	0.2
69.07058	1.5
70.06593	0.3
71.04637	0.2
71.04995	4.2
72.04503	0.9
72.08160	2.2
73.04014	0.3
73.06538	0.3
79.05488	1.2
81.06606	0.4
81.07061	8.7
82.96053	0.2
83.08631	0.3
84.08137	0.3
85.06551	0.8
91.05468	0.3
93.07047	5.2
95.08587	1.3
97.06557	0.4
98.06042	0.3
101.46198	0.2
107.08590	4.6
109.10155	0.9
113.10765	17.0
114.09167	31.8
114.10390	1.1
115.08687	6.6
131.11810	4.8
135.11696	7.0
135.12724	0.3
139.60512	0.2
143.11855	1.4
153.12752	3.7
156.11319	26.8
167.07059	0.4
170.09663	0.3
173.13972	38.0
209.08128	0.2
297.23056	0.4
325.22412	1.5
343.27032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.9
57.03403	0.4
59.05021	0.4
60.98202	0.4
69.07059	3.1
69.92285	0.5
70.06571	0.5
71.04979	2.7
72.04516	1.1
72.08147	3.2
73.11063	0.5
75.00592	0.5
79.05479	1.9
81.07053	5.1
83.08620	0.6
90.12537	0.5
91.05466	0.7
93.07043	4.7
94.62413	0.5
95.08580	1.0
97.02890	0.5
98.97577	1.8
103.05482	0.6
107.08613	4.6
109.10152	1.1
111.08049	0.6
113.10770	17.0
114.09170	32.1
114.10323	1.1
115.08707	7.0
117.07020	0.6
121.90225	0.5
131.04863	0.7
131.11800	5.7
135.08046	4.4
135.11664	3.7
137.05988	12.2
143.11772	0.6
147.08118	0.7
149.63211	0.5
151.54648	0.5
153.12730	2.1
156.11320	27.5
163.07526	2.2
173.13979	37.0
175.07524	8.4
215.02824	1.7
216.03471	0.9
217.52855	0.5
230.03247	1.0
242.03224	0.7
266.04587	0.6
267.40137	0.5
275.04944	0.6
277.54758	0.5
293.59052	0.5
320.06390	0.6
334.95264	0.6
343.27026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50785	0.4
52.23125	0.4
66.63095	0.4
69.07040	0.5
70.06588	1.9
72.04509	2.0
72.08159	3.5
84.08149	25.8
93.06998	0.7
98.15874	0.5
105.42728	0.4
107.08584	0.8
109.10185	0.6
112.07594	1.1
113.10763	0.6
114.09165	30.3
115.08671	0.6
127.08644	1.0
131.11797	1.0
135.11674	1.1
143.11803	54.3
157.09724	1.9
185.14037	1.9
194.16547	1.0
197.16533	0.9
224.20110	0.9
230.18611	0.6
250.17990	0.6
265.22757	1.0
283.23688	3.2
301.24902	4.1
307.25003	3.6
308.05423	0.5
325.26105	2.3
343.27036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55822	0.3
70.06599	2.7
72.04527	2.3
72.08163	4.0
79.56287	0.2
81.07053	0.3
84.08153	26.9
87.98866	0.3
92.17844	0.4
93.07051	1.3
98.09654	0.4
107.08608	1.5
109.10105	0.3
109.91673	0.3
112.07599	0.7
114.09177	28.4
115.08706	1.5
125.10731	0.5
126.10304	0.5
127.08697	1.9
131.11879	2.2
134.16151	0.3
135.11702	1.6
143.11812	60.1
144.11290	0.5
156.11327	0.6
157.09720	1.4
173.14018	1.5
181.67567	0.3
185.14003	1.3
194.16531	1.6
197.16570	1.3
224.20116	1.4
249.19615	0.5
250.18025	0.4
265.22748	1.9
283.23813	2.6
301.24796	5.3
307.24954	3.7
308.23248	0.6
324.61768	0.3
325.26028	1.9
343.27060	100.0
365.85294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05642	0.6
69.07069	1.0
69.60781	0.4
71.05003	5.3
72.08135	2.1
79.05458	1.0
81.07072	7.9
90.26656	0.6
93.07034	5.8
107.08584	4.4
111.08086	0.6
113.10767	17.7
114.09169	34.6
114.10307	1.0
115.08703	7.3
131.11832	5.1
134.80957	0.5
135.11702	8.0
137.05981	0.6
145.02797	0.9
153.12729	3.5
156.10034	0.5
156.11319	31.4
173.13972	44.3
173.76741	0.5
175.07507	1.1
175.13766	0.5
177.05411	4.4
186.36520	0.6
205.56224	0.6
248.12888	0.7
271.42422	0.5
325.22122	0.7
343.16403	2.8
343.27029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83879	0.3
67.49811	0.3
70.06587	2.2
72.04504	1.4
72.08171	4.2
80.44437	0.4
84.08150	26.8
85.95737	0.4
93.07051	0.7
107.08613	1.6
110.44421	0.4
112.07611	0.7
113.10739	0.7
114.09170	28.1
115.08702	0.7
125.10709	0.8
127.08680	1.6
131.11795	1.8
131.54395	0.4
135.11676	2.0
135.12677	0.4
143.11807	55.8
156.11325	1.0
157.09686	0.7
170.09544	0.6
173.13995	0.8
185.14008	0.6
194.16504	0.7
197.16461	0.7
230.94124	0.5
236.54535	0.4
249.19545	0.6
250.98607	0.4
265.22781	2.2
283.23776	2.1
301.24915	4.1
307.24878	2.6
308.23181	0.5
325.25888	0.8
326.24191	0.5
343.27042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61897	0.3
57.74219	0.2
64.12378	0.3
69.07064	0.6
70.06596	2.6
72.04521	2.3
72.08158	4.4
72.26579	0.3
81.07052	0.4
84.08149	27.2
93.07014	0.7
98.09682	0.3
107.08578	1.7
109.10159	0.6
112.07602	1.5
113.10767	0.5
114.09172	29.4
115.08714	0.6
123.15134	0.3
126.10287	0.5
127.08651	1.8
131.11792	2.3
135.11655	1.5
143.11807	52.7
156.11301	0.7
157.09695	0.4
168.11374	0.4
173.13947	1.5
185.13974	1.2
194.16556	1.5
197.16562	1.2
208.05571	0.3
230.18489	0.4
249.19565	0.5
265.22699	2.3
283.23785	2.8
301.24832	4.0
307.25006	3.5
308.23355	0.4
325.26001	1.4
343.27042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.1
55.05527	23.1
57.07072	2.1
65.07580	1.8
67.05519	15.5
69.03446	3.1
69.07066	8.1
71.08628	12.4
75.18247	1.6
79.05487	12.8
81.03410	12.4
81.07072	20.4
83.04993	4.0
83.08621	33.1
91.05467	4.6
91.35873	2.0
93.07056	13.5
95.04966	23.1
95.08605	10.2
97.10168	33.5
99.08083	10.2
105.07045	7.9
107.04935	1.8
107.08588	21.9
109.10124	10.6
111.04454	3.3
111.08077	4.3
113.09700	1.9
117.07014	3.9
119.08601	3.1
121.06539	3.4
121.10152	7.8
123.08055	4.2
125.09617	35.5
131.08591	4.0
133.10144	4.1
135.08070	7.1
135.11713	8.7
137.09627	2.2
139.11182	2.4
145.10127	8.8
145.49202	1.9
147.08022	3.7
147.11739	4.0
149.09647	8.5
149.13190	1.8
153.09113	4.2
157.10094	8.8
159.11765	3.1
163.11171	27.9
167.10672	2.1
173.09587	2.1
173.13081	2.2
175.11197	3.2
177.12738	3.1
189.11174	2.4
193.12308	8.7
193.56960	1.7
195.13815	10.4
203.12753	8.4
208.51241	2.1
223.13358	7.4
257.19067	2.9
275.20059	12.8
293.05994	2.0
293.21109	80.5
306.36752	1.9
307.22815	16.3
314.85577	2.1
325.23752	100.0
338.84842	1.9
343.18704	6.5
343.22342	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	343.2382
Annotation	Tetrahydrosecodine
Peak:m/z	Relative Intensity
58.06596	1.2
59.09922	0.8
60.03004	0.7
66.13249	0.7
70.06604	2.8
72.08129	4.2
82.30142	0.7
92.24728	0.8
98.06049	1.1
107.04931	0.8
114.09099	1.4
120.08078	4.0
121.10120	0.7
132.08066	1.0
137.05977	4.9
144.08087	34.7
145.02808	8.3
145.08859	1.3
146.09682	1.0
147.04416	1.3
149.05994	1.0
150.06668	0.9
157.08900	1.7
158.09637	9.9
160.11195	1.0
163.03915	9.5
167.07034	1.7
170.09647	87.2
171.10432	25.8
172.11177	3.6
175.07486	1.3
177.05464	58.2
184.11192	3.3
187.12248	0.8
189.09151	1.0
197.00810	1.1
200.13124	1.3
201.13896	9.2
202.14665	28.9
205.06525	1.3
212.14349	4.1
215.15417	2.9
220.80495	0.9
224.14359	1.7
225.39313	0.8
234.10939	1.0
248.12794	20.1
265.08597	1.5
297.17285	1.0
307.09476	1.2
312.19574	17.6
325.10693	1.6
343.12323	2.6
343.16812	30.4
343.23764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04357	0.5
60.04513	0.5
72.04513	1.1
72.08167	4.1
72.08498	0.5
79.05473	0.6
83.61358	0.5
84.08148	14.7
93.07019	0.9
102.10830	0.6
107.08585	2.2
109.06519	0.9
112.07618	0.9
113.10735	2.2
114.08372	0.9
114.09175	22.5
115.08693	0.7
134.09660	2.3
135.08072	0.8
143.11804	37.3
152.10713	6.9
153.09132	0.7
156.11360	3.9
163.03871	1.2
170.11760	0.9
173.13968	7.1
176.11795	1.1
177.10458	0.6
194.12906	2.0
195.11215	0.7
249.16042	0.9
264.20615	0.6
266.54630	0.5
289.20303	1.1
303.63934	0.5
307.21249	11.5
308.19708	2.8
318.78491	0.6
325.22342	37.1
326.20706	1.2
343.23407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76570	0.4
55.05497	0.8
61.34410	0.5
68.34048	0.5
72.04509	1.1
72.08163	4.6
74.42793	0.5
83.08617	3.0
84.05618	1.1
85.06532	0.9
86.66372	0.6
111.08083	3.1
114.09175	27.8
122.07160	2.8
129.09120	4.2
176.11815	5.7
194.12886	10.9
197.13979	18.8
223.68002	0.6
235.15549	14.6
236.16301	1.2
237.17223	2.5
262.16370	0.6
279.21799	0.8
289.20261	13.6
307.21295	64.2
325.22351	58.4
343.23413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
59.57127	0.5
67.05210	0.6
72.04525	1.0
72.08144	3.6
83.08620	2.7
84.05620	1.2
85.06537	0.8
93.23649	0.6
96.56670	0.5
99.87871	0.6
111.08059	2.6
113.72744	0.6
114.09180	21.3
117.27276	0.7
122.07126	2.6
124.08697	0.9
129.09131	1.2
143.11780	1.2
154.63031	0.6
173.13977	4.5
176.11815	4.1
194.12924	10.3
194.14574	0.9
197.13985	21.5
209.14075	0.8
221.05801	0.6
235.15521	13.4
236.16219	1.1
237.17154	2.4
279.21606	0.8
289.20248	11.5
307.21289	55.0
325.22357	42.2
325.25433	0.6
343.23413	100.0
364.16193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	Longithorol D
Peak:m/z	Relative Intensity
55.01881	1.8
55.05519	2.0
57.03452	1.2
57.07077	1.9
66.55774	1.0
67.05490	4.2
69.03413	2.1
69.07053	1.8
71.05000	10.3
73.05652	1.0
74.60403	1.0
79.05483	7.1
81.07052	7.6
91.05472	2.8
93.07046	20.9
95.04977	20.2
95.08608	24.9
97.06528	6.1
101.81380	1.2
105.07034	21.7
107.08605	19.7
108.69936	1.1
109.06506	2.7
115.27946	1.3
117.07021	8.5
119.08564	9.1
121.06495	7.4
121.10148	7.1
123.08060	8.6
130.07794	2.8
131.08569	2.5
133.06487	2.1
133.10118	2.3
135.08031	7.2
135.11693	6.8
137.09691	1.7
143.08560	2.0
145.10138	33.0
147.08049	4.7
149.09621	2.2
151.07553	17.2
157.10097	1.9
159.11775	1.3
161.09676	1.9
163.11198	18.3
165.09138	2.7
169.09993	1.2
171.11656	1.7
173.09737	1.3
179.07117	1.2
187.11183	4.4
189.12762	2.5
209.15404	1.5
221.15302	8.9
263.16360	2.0
325.21579	6.2
343.22681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	Longithorol D
Peak:m/z	Relative Intensity
55.01887	1.6
55.05514	4.4
57.03439	2.5
57.07065	1.8
58.95341	1.0
67.05502	1.6
69.03416	2.3
69.07053	2.1
71.04973	6.6
79.05480	6.8
81.07072	8.9
83.08607	1.4
91.05472	6.0
93.07047	23.9
95.04982	17.4
95.08606	28.1
95.40047	1.1
97.06518	5.7
105.07038	21.4
107.08608	22.7
109.06513	5.8
111.51484	1.2
117.07025	12.4
119.08558	9.6
121.06493	5.0
121.10167	6.6
123.00343	1.1
123.08081	8.4
130.07794	5.5
131.08563	2.2
133.06494	1.4
133.10138	5.1
135.08089	10.3
135.11711	2.5
143.08574	2.4
145.09024	1.4
145.10149	31.9
147.08023	6.6
147.11694	1.7
149.09595	2.1
151.07545	19.9
154.50977	1.1
155.08539	1.5
157.10107	4.2
158.15749	1.1
159.11693	2.6
161.09630	2.5
161.13312	1.7
163.03925	2.0
163.11197	17.5
165.09134	7.0
179.07097	1.1
182.10782	1.3
189.12762	2.7
190.81528	1.2
203.14282	1.2
207.13737	1.2
221.15361	12.0
263.16455	1.3
288.81262	1.1
325.21533	1.5
343.22678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	Longithorol D
Peak:m/z	Relative Intensity
51.44175	2.2
55.05516	3.3
55.86088	2.4
57.13084	2.2
71.04993	10.7
79.05479	5.0
81.07063	11.8
86.65678	2.5
91.05480	3.2
93.07058	21.2
95.04958	19.7
95.08630	23.5
97.06525	4.9
105.07033	18.4
107.08599	16.5
117.07030	11.5
119.08581	10.5
120.29604	2.6
121.10159	5.3
123.08028	6.9
130.07849	4.0
133.10188	4.8
135.08051	14.0
135.11743	3.6
145.10135	33.4
149.09636	3.3
151.07545	19.4
157.10033	4.3
159.11633	3.6
163.03889	3.4
163.11176	22.6
163.43997	2.8
165.09151	6.5
171.11784	3.1
189.12732	4.3
221.15355	12.7
257.08167	4.1
285.07697	3.8
287.13397	2.9
300.10049	6.7
343.11798	41.1
343.22665	100.0
343.33194	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	343.1754
Annotation	Anacine
Peak:m/z	Relative Intensity
54.30357	0.7
55.01901	0.8
55.05505	1.4
57.03442	4.3
57.07084	0.7
61.02927	4.3
69.03444	10.8
69.07086	2.7
70.06592	5.0
71.04989	1.4
72.08160	12.3
73.02913	1.1
79.05515	1.3
81.03416	4.4
81.07069	7.5
83.04992	6.2
84.04524	1.3
84.08135	3.3
85.02913	32.7
86.09714	7.7
87.04475	2.9
87.10033	0.7
91.03945	1.0
91.05479	1.5
93.07050	6.8
95.04977	16.3
95.08602	1.4
97.02894	11.6
97.06535	3.5
98.06067	0.8
99.04443	3.6
105.07041	4.8
107.04977	1.3
107.08609	8.4
109.02872	4.9
109.06525	2.9
109.10151	0.8
114.09151	0.6
114.10301	0.9
116.07128	0.9
117.07027	3.0
119.08619	4.8
121.06507	2.9
121.10163	13.8
125.05997	13.9
127.03937	8.1
129.10231	1.2
130.07765	0.8
131.12933	0.8
133.10089	1.0
135.08076	1.3
135.11710	9.2
137.05995	2.8
143.11816	1.3
145.04913	8.0
145.09010	1.2
145.10138	26.3
147.08029	2.8
147.55690	0.8
149.06038	1.3
163.03958	2.7
163.11179	100.0
165.09105	0.9
170.86713	0.6
175.11165	0.9
177.05463	1.0
181.12231	22.9
183.10168	0.8
186.06435	0.7
205.12302	1.2
209.07059	1.6
210.16859	0.8
223.13290	1.5
237.06433	1.0
255.07680	3.4
307.15280	1.5
325.16376	1.6
325.25687	1.5
326.15005	1.0
343.13315	5.6
343.17542	12.9
343.23337	1.2
343.26923	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1653
Annotation	Humantenidine
Peak:m/z	Relative Intensity
55.05508	0.4
66.39146	0.3
68.60997	0.3
70.06581	0.5
72.08154	4.6
81.07043	0.5
89.03884	0.4
91.77008	0.3
96.04493	0.6
98.06055	0.7
113.10763	2.1
114.09171	3.9
115.08710	1.1
117.03364	1.8
131.11809	0.7
135.11687	1.2
139.57126	0.3
145.02841	20.3
153.12610	0.4
156.11272	2.5
158.29538	0.3
163.03873	5.0
173.13980	4.4
177.05463	100.0
199.20848	0.3
234.11177	0.5
248.12804	31.8
343.16525	60.1
343.26968	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	343.1545
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
50.77114	0.6
55.67118	0.4
67.24581	0.5
71.67354	0.5
79.05465	0.7
89.45087	0.5
91.05491	3.5
103.05479	4.2
107.04929	0.8
115.05415	2.4
117.07018	2.2
119.08592	8.0
121.10142	6.1
122.03630	2.4
128.06242	0.8
129.06978	2.4
131.04929	10.6
132.05717	4.6
133.06522	0.8
135.11743	0.7
137.05992	100.0
138.97269	0.5
145.06491	0.8
147.08067	10.8
157.06511	0.5
160.05197	4.9
161.06004	2.1
163.07552	17.4
163.11148	1.0
169.06517	3.2
175.07550	94.5
181.08575	0.6
181.12277	2.5
186.06747	2.1
187.07646	0.8
188.08260	0.9
189.09149	1.1
201.09206	3.3
233.09677	1.0
261.09201	0.8
293.11734	0.8
325.14243	5.4
343.15103	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	343.1542
Annotation	(-)-Chicanine
Peak:m/z	Relative Intensity
57.90283	0.8
59.71289	0.6
65.17575	0.8
77.03915	1.3
77.77562	0.7
79.05502	1.5
82.54120	0.7
91.05494	5.9
92.82490	0.8
93.07041	10.6
95.04958	1.1
103.05473	2.0
103.41041	0.9
107.04967	22.8
109.06543	1.0
109.67429	0.9
121.06512	16.8
123.04411	1.1
124.05228	1.6
125.05991	1.8
128.06206	3.2
129.07007	26.1
131.04984	0.8
131.08568	8.6
135.08078	1.9
137.05989	17.0
138.06749	1.8
145.06499	3.0
148.05156	1.0
149.06012	5.8
151.07556	1.7
153.05424	3.7
157.06499	26.6
159.08078	1.3
161.05986	4.1
161.09589	3.4
163.07524	4.5
166.06238	10.9
167.07042	53.3
174.06755	19.4
175.07558	9.4
181.08597	77.3
189.09113	100.0
191.10725	1.8
203.10736	1.0
205.10225	0.9
208.08833	1.6
219.08078	4.9
219.10075	2.6
223.11215	1.7
233.09755	1.1
235.07527	0.9
236.08273	1.3
237.09169	1.5
251.10672	7.7
261.08975	0.9
265.08591	1.5
279.10190	4.9
283.10394	1.1
283.13351	8.6
291.42096	0.9
293.11563	1.1
297.10986	1.1
299.09158	2.0
302.11578	1.4
311.12823	10.7
314.11386	1.3
325.10773	1.8
343.15408	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1542
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
72.96371	0.5
91.05489	2.7
103.05470	4.7
105.07062	0.7
107.04967	1.2
114.09146	0.4
115.05448	2.7
117.07008	1.0
118.27496	0.4
119.08581	6.0
122.03635	2.3
129.06990	3.7
131.04939	11.4
132.05743	4.5
137.05983	99.4
141.07014	1.9
143.04919	0.6
145.61102	0.6
147.08051	10.3
151.07582	0.8
157.06468	2.0
160.05206	3.3
161.05962	2.5
163.07530	17.5
169.06497	2.4
175.07538	100.0
177.05452	2.5
181.04927	0.9
186.06761	2.7
187.07530	3.2
188.08330	3.1
189.09125	2.2
201.09099	4.0
233.09587	2.3
261.08990	2.0
265.08569	0.8
265.12112	1.8
281.08133	1.0
293.11636	1.9
325.14307	10.5
343.15488	9.8
343.26349	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1532
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
55.05518	0.5
57.11032	0.5
63.51761	0.5
70.06565	2.5
72.08157	31.7
77.03871	0.5
81.82018	0.5
82.06570	1.1
83.82842	0.5
84.08118	1.0
86.09714	0.6
90.39516	0.5
91.05479	0.7
93.07056	0.7
97.07631	2.7
98.06055	2.6
99.09212	9.8
100.05114	4.6
107.04901	0.7
111.42577	0.5
111.72314	0.5
112.05083	1.1
114.10290	7.1
115.08679	2.4
119.08585	0.6
121.06487	0.7
121.10134	1.0
124.08698	0.6
126.10272	2.0
129.07008	0.6
131.04886	2.6
133.06502	2.0
135.08049	0.7
137.05978	23.8
140.08214	0.7
141.10437	0.6
141.11345	14.8
144.08130	0.6
145.02818	2.5
147.08099	0.7
148.05228	1.1
149.05988	9.1
151.07568	2.1
157.06464	2.9
157.10832	2.8
161.05984	1.0
163.03867	1.0
163.07535	3.4
166.08614	7.6
167.07027	2.6
170.09639	3.4
175.07530	12.1
177.05461	17.6
178.08615	0.9
181.08585	3.3
185.03641	15.5
189.09111	4.8
194.08141	0.5
202.14586	0.6
208.10805	2.4
208.76016	0.5
213.03139	5.2
220.13377	5.2
236.10287	22.3
236.12683	0.8
242.94850	0.7
247.14377	3.3
248.12781	5.6
262.15540	2.2
282.50623	0.5
283.09430	0.6
284.10461	17.8
284.13434	1.0
290.15030	4.8
307.17642	16.2
307.21167	0.7
311.12738	0.7
325.14157	0.9
326.12534	0.7
343.11874	3.9
343.15320	100.0
343.23959	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	343.1533
Annotation	Obovatifol
Peak:m/z	Relative Intensity
58.11516	0.5
60.05649	1.0
70.06573	3.0
72.08162	29.0
72.29439	0.6
82.06576	1.1
84.08121	0.6
92.18402	0.9
97.07652	2.2
98.06041	2.3
99.09212	8.7
99.77430	0.6
100.05116	5.4
107.04929	3.0
114.09271	0.6
114.09459	0.7
114.10276	8.8
115.08701	1.3
121.06503	0.9
125.01544	0.5
126.10293	1.4
129.06992	1.4
137.05991	15.1
140.08215	1.0
141.11360	15.0
145.02850	1.2
148.05238	1.1
149.06000	10.5
151.07545	0.8
157.06480	1.3
157.10831	3.7
161.06020	0.9
163.07512	3.4
166.08607	8.2
167.06992	4.3
170.09648	1.3
173.13911	0.6
174.06726	1.2
175.07603	2.4
177.05460	18.9
178.08588	2.4
181.07149	0.6
181.08562	4.7
185.03653	14.2
189.09117	6.7
194.08221	0.7
206.08188	0.8
208.10815	1.2
213.03159	3.7
220.13275	5.8
236.08067	1.0
236.10294	19.9
242.05768	0.9
247.14467	3.2
248.12839	5.2
262.15582	2.5
265.08572	1.2
271.12619	0.7
281.07867	0.7
283.09451	0.9
284.10458	15.7
290.15042	4.7
297.11423	0.9
299.12885	0.9
307.17612	14.3
311.12622	2.1
326.12738	1.2
343.15329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.153
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
55.05502	0.7
60.05637	0.9
67.72225	0.4
69.79722	0.4
70.06612	3.0
72.08160	37.1
75.88533	0.5
82.06564	0.9
84.08132	0.8
91.17944	0.4
97.04732	0.4
97.07658	3.0
98.06042	2.5
99.09219	10.0
100.05107	5.3
114.10289	10.4
115.08720	3.1
124.08723	1.5
126.10248	2.6
127.39179	0.5
131.12914	0.8
137.05980	13.6
140.08151	2.3
141.11345	15.5
145.02837	2.0
148.05223	1.7
149.05978	10.9
151.07561	2.2
153.00946	0.6
157.10849	4.9
157.43443	0.4
166.08653	7.6
177.05466	20.2
178.08583	1.6
185.03645	18.3
185.05222	0.8
206.08125	0.6
208.10789	2.9
213.03142	6.0
220.13293	6.6
224.57722	0.5
236.10298	22.8
236.12685	0.8
242.05753	0.6
247.14476	4.3
248.12788	6.7
262.15466	3.0
283.12189	0.7
284.07300	0.7
284.10471	19.8
290.15018	5.3
290.18188	0.6
307.17621	17.3
325.10660	0.5
326.12604	1.0
343.15317	100.0
343.23422	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	343.1383
Annotation	Coniferin
Peak:m/z	Relative Intensity
54.16571	0.5
63.73993	0.5
69.03439	5.6
78.68118	0.6
79.05486	3.2
81.03421	8.8
85.02906	5.6
91.05476	4.3
93.07056	0.7
97.02908	1.2
99.04459	0.8
105.06997	0.8
107.04968	1.3
107.08598	21.8
109.02877	3.2
109.06478	1.8
115.05482	1.2
117.06995	5.5
123.79967	0.6
129.06963	0.7
131.08571	0.7
135.08057	100.0
137.05965	5.9
157.06496	2.6
161.05948	0.8
163.07538	35.1
166.06126	0.6
167.07040	5.6
174.06758	0.7
175.07547	3.1
181.08585	12.9
189.09146	5.9
276.64694	0.6
304.25903	0.6
325.12787	7.0
343.14270	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	343.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
61.91996	1.0
91.05520	1.8
93.07086	1.2
95.08606	1.4
105.03370	2.0
115.05428	4.6
119.04979	1.7
121.06528	1.5
137.05992	35.5
140.85899	1.4
143.04924	2.8
145.06516	1.3
147.04359	1.6
149.06024	4.6
150.06786	1.8
150.49889	1.1
151.03947	1.9
159.04456	1.7
160.05217	2.5
161.05991	2.0
170.15971	1.3
173.05974	6.5
174.06700	1.6
175.03958	2.3
175.07568	7.7
177.07039	1.7
181.06700	1.1
181.08574	1.2
186.03145	7.7
187.03896	1.7
189.05487	2.2
189.09155	5.7
191.07114	1.3
195.08217	1.4
201.05489	27.8
205.06523	23.4
207.08244	1.3
209.09657	1.7
217.06732	1.2
219.06404	2.1
222.06790	7.1
227.06989	2.2
233.05975	25.0
234.06746	5.1
237.09122	27.1
247.07564	5.4
249.05542	1.5
250.06265	23.4
251.07054	6.3
254.09341	1.3
261.05524	3.0
264.07730	8.8
265.08603	54.8
265.11484	2.0
266.09509	2.9
267.06619	5.5
268.07492	1.9
271.15799	1.4
275.07162	1.5
277.05023	2.8
278.05725	18.1
279.06586	1.8
279.10129	2.4
282.09000	6.0
283.09866	2.6
292.07291	32.0
293.08115	36.7
294.08884	1.9
295.05966	2.8
297.11136	15.1
307.09659	44.5
310.08337	10.2
325.10730	100.0
343.11765	45.9
343.15448	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	343.1182
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
55.01864	1.2
65.03938	0.8
73.37020	0.8
103.05420	0.9
105.07079	0.8
111.04456	9.1
115.05415	1.1
121.02863	1.4
121.06392	1.0
123.04408	1.1
131.04965	1.3
137.02339	0.9
137.05991	8.0
139.03917	7.3
144.08096	11.5
145.06451	1.6
146.07249	1.5
147.04433	1.1
148.05215	1.5
149.05977	1.8
153.05515	1.2
159.08061	4.5
161.05957	1.2
163.03845	0.9
165.07007	1.0
167.03413	6.8
167.08525	1.6
170.09651	27.1
171.10378	6.2
175.07536	3.4
177.05455	1.2
177.06927	1.1
181.06400	1.1
182.07178	1.0
183.08080	0.9
187.07492	1.8
189.09064	1.3
194.07281	1.1
195.08104	3.2
201.05415	3.0
201.13948	1.3
202.14648	4.3
205.06543	6.8
206.07274	1.2
209.09583	3.2
211.07527	4.0
213.09109	0.8
219.08084	2.0
221.06009	1.5
222.06740	4.2
223.07593	5.0
225.09068	3.4
226.06258	1.0
226.09930	1.2
227.07025	3.4
233.05933	4.2
234.06819	2.0
235.07567	1.1
236.08295	1.4
237.09143	10.8
239.07101	8.9
240.07883	2.9
241.08392	1.1
250.06244	6.2
251.06938	4.6
252.07805	1.1
253.08562	4.6
254.09346	4.5
255.06422	1.6
255.10242	10.8
256.07254	1.8
257.08157	1.3
264.07858	1.0
265.08560	14.7
266.09406	1.2
267.06555	3.0
267.09991	0.8
268.07306	4.3
269.08270	0.9
269.11771	3.2
271.09674	1.1
278.05646	1.6
279.06680	1.2
279.10123	1.3
281.08112	1.6
282.08936	9.1
283.09628	17.3
292.07300	4.0
293.08063	6.8
297.11115	8.4
299.09064	5.5
300.09961	2.0
307.09564	7.2
310.08389	1.5
311.09119	21.2
312.09851	1.1
315.12299	4.3
325.10718	20.1
343.11755	100.0
343.20114	8.4
343.23755	1.5
343.53552	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	343.118
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01873	1.4
61.91996	1.0
91.05520	1.8
93.07086	1.2
95.08606	1.4
105.03370	2.0
115.05428	4.6
119.04979	1.7
121.06528	1.5
137.05992	35.5
140.85899	1.4
143.04924	2.8
145.06516	1.3
147.04359	1.6
149.06024	4.6
150.06786	1.8
150.49889	1.1
151.03947	1.9
159.04456	1.7
160.05217	2.5
161.05991	2.0
170.15971	1.3
173.05974	6.5
174.06700	1.6
175.03958	2.3
175.07568	7.7
177.07039	1.7
181.06700	1.1
181.08574	1.2
186.03145	7.7
187.03896	1.7
189.05487	2.2
189.09155	5.7
191.07114	1.3
195.08217	1.4
201.05489	27.8
205.06523	23.4
207.08244	1.3
209.09657	1.7
217.06732	1.2
219.06404	2.1
222.06790	7.1
227.06989	2.2
233.05975	25.0
234.06746	5.1
237.09122	27.1
247.07564	5.4
249.05542	1.5
250.06265	23.4
251.07054	6.3
254.09341	1.3
261.05524	3.0
264.07730	8.8
265.08603	54.8
265.11484	2.0
266.09509	2.9
267.06619	5.5
268.07492	1.9
271.15799	1.4
275.07162	1.5
277.05023	2.8
278.05725	18.1
279.06586	1.8
279.10129	2.4
282.09000	6.0
283.09866	2.6
292.07291	32.0
293.08115	36.7
294.08884	1.9
295.05966	2.8
297.11136	15.1
307.09659	44.5
310.08337	10.2
325.10730	100.0
343.11765	45.9
343.15448	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	343.1026
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.77199	0.2
55.05515	0.4
57.03446	0.2
60.05659	0.9
68.38878	0.2
70.06587	1.1
71.04981	0.3
72.08151	0.2
77.20904	0.2
81.03432	4.2
81.07090	0.3
85.02881	1.2
89.03898	0.5
91.05490	0.5
101.06027	0.3
105.07042	1.0
109.02867	2.2
115.23773	0.2
116.07127	0.9
117.03354	2.1
130.09743	0.3
130.80231	0.2
135.04428	4.9
145.02853	7.8
158.09221	0.4
162.19829	0.2
163.03908	100.0
175.11905	1.5
181.04948	6.1
216.48645	0.3
240.66362	0.3
308.41138	0.2
325.09177	1.4
325.22397	0.4
343.10300	3.0
343.23416	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	343.1026
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.06979	0.1
78.67081	0.2
79.05489	0.2
81.03413	0.4
87.46092	0.2
89.03913	1.1
94.18311	0.2
107.04927	0.3
108.16588	0.2
109.02868	0.3
117.03375	2.4
121.01773	0.2
135.04414	6.9
145.02856	10.1
145.03989	0.4
163.03905	100.0
203.93945	0.2
211.94563	0.2
343.10458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66470	2.8
56.96338	4.0
56.96574	68.1
60.08178	21.6
68.66592	2.9
69.03427	3.0
70.06603	2.9
72.08158	7.3
75.92692	3.0
79.16790	2.6
84.05637	11.3
85.02912	18.2
87.45930	3.5
94.92988	4.7
95.06101	62.8
98.97585	57.8
105.00165	13.4
112.99123	3.3
113.68024	2.7
116.98655	32.3
123.01184	16.3
123.02000	3.4
126.97061	3.2
127.00710	3.0
127.03963	10.9
134.99680	5.8
136.94011	4.1
139.00691	19.8
140.98596	3.4
141.02266	4.0
144.98114	7.6
145.04980	6.9
146.09219	4.0
151.00674	34.2
154.13400	81.9
157.01758	13.9
158.99722	4.1
162.99150	16.0
163.03925	30.4
167.00139	6.9
169.01726	58.1
176.98575	7.3
178.94984	6.2
185.01276	12.3
187.02766	40.8
194.99661	45.6
198.12373	100.0
213.00699	75.9
213.04434	2.8
231.01747	69.7
249.02916	23.9
255.01736	11.7
273.02774	22.7
273.81424	3.3
283.01086	4.2
301.02341	51.6
319.03302	45.9
342.96146	24.7
343.03320	63.6
343.15759	14.9
343.19720	20.5
343.23462	12.2
361.04486	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	26.5
55.05510	41.8
67.05503	57.3
69.07087	13.1
70.92110	12.8
81.07056	68.6
83.04976	18.9
83.08590	12.3
91.05460	27.3
93.07054	20.7
95.08617	20.5
105.07022	24.2
107.08579	44.5
109.10163	66.0
123.08104	14.4
123.11702	14.9
123.50837	11.2
125.09635	24.2
133.10101	95.0
137.09683	16.4
141.85358	9.6
151.11182	100.0
159.82909	12.1
163.11203	15.1
183.13757	24.0
229.14308	11.3
235.89473	14.2
236.87805	14.3
254.89107	27.0
275.20123	67.8
277.90677	22.6
293.21182	23.8
307.22647	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00331	0.4
55.05509	1.0
57.03435	1.5
67.05502	2.6
69.07079	3.1
79.05488	2.6
81.03417	1.6
81.07070	5.7
83.08624	2.4
84.90978	0.4
85.06519	0.6
91.05466	2.5
92.17500	0.4
93.07040	3.8
94.88528	0.4
95.08621	3.3
97.06509	0.9
105.07047	3.6
106.10072	0.4
107.08610	3.1
109.06528	0.4
109.10170	0.8
117.07014	1.5
119.08585	3.8
121.10136	1.5
123.11710	2.5
131.08578	1.9
133.10110	2.9
135.11688	2.1
145.10110	0.7
147.11655	1.4
149.09659	0.6
149.13234	0.4
157.10149	0.4
159.11684	1.6
161.13341	0.5
163.07578	3.1
163.08708	0.5
163.11194	0.6
171.08025	0.9
173.13301	0.6
175.11003	0.5
181.12177	0.6
185.09610	0.5
185.13235	0.6
195.13800	0.7
199.11105	1.4
203.14444	0.5
205.12248	1.5
213.12769	2.0
213.14861	0.6
215.14328	0.7
235.16951	0.7
239.17813	0.7
241.15791	0.9
256.22498	0.4
257.19000	1.6
259.16943	5.8
275.20105	3.5
289.21573	1.6
301.21658	100.0
307.22861	0.4
319.21317	0.5
342.30093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	26.0
60.00325	3.3
67.05505	16.5
69.03424	4.1
69.07057	9.0
72.62385	3.7
79.05497	15.2
81.07053	20.7
83.08622	26.9
91.05492	4.9
93.07043	27.9
97.10179	85.2
97.17259	3.7
105.07033	14.6
107.08601	92.0
109.10168	4.3
119.08524	5.2
121.86349	4.2
125.09637	100.0
133.10159	6.8
135.08043	14.6
135.11656	7.1
145.10132	8.0
147.11728	7.3
153.09108	8.5
203.12775	66.0
208.98314	3.3
249.32794	4.0
257.18994	15.6
274.33115	3.9
275.20108	36.1
289.21613	44.9
307.22647	39.6
342.28619	5.1
353.03671	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	342.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91645	0.9
67.05509	1.5
69.07075	2.4
70.06583	8.0
72.04501	5.0
72.08163	12.1
81.07077	1.5
84.08151	50.4
85.08463	5.9
85.08991	1.2
93.07040	2.6
98.06040	2.0
105.07032	1.4
107.08614	2.6
109.06594	1.1
109.10156	4.5
112.07608	2.6
114.09179	50.9
115.08689	9.4
115.09512	5.5
116.07094	1.7
121.10084	1.3
121.11611	1.3
123.11724	1.7
127.08714	13.3
133.10138	2.1
138.12860	1.4
143.11818	54.2
144.12212	9.2
151.11174	1.1
157.09718	10.9
193.13548	1.9
197.16560	2.0
198.16864	2.4
204.57417	1.1
223.15497	1.7
242.16737	1.5
257.19788	1.6
258.20078	7.6
266.17468	6.2
266.62802	1.1
283.20288	2.2
310.23343	8.4
342.24051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.239
Annotation	Diprotin A
Peak:m/z	Relative Intensity
55.05523	4.3
55.72752	0.6
56.63934	0.5
59.44375	0.5
60.73177	0.5
67.05499	0.7
69.03434	0.9
70.06599	4.4
72.04501	2.3
72.08149	4.0
78.40986	0.5
81.07061	1.8
83.04961	0.7
84.05606	3.2
84.08149	40.2
92.17886	0.9
93.07020	2.9
97.06462	0.7
98.05987	0.8
105.07014	0.9
107.08559	2.5
109.10133	3.3
113.10748	1.0
114.09174	30.9
115.08728	6.0
115.09457	1.1
123.11679	2.2
125.09600	1.0
125.10714	2.5
127.08697	9.7
131.11830	0.6
133.10168	4.4
143.11806	62.6
144.11282	1.0
150.12735	0.9
151.11127	3.2
156.11282	0.7
157.09735	7.8
157.13322	0.7
166.08531	0.5
169.12215	0.9
183.12872	0.5
186.12341	1.0
197.12846	0.6
247.17917	1.2
248.16403	0.7
265.19083	0.6
298.12173	0.6
342.23788	100.0
344.02054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31808	0.4
54.98472	0.4
55.05496	0.6
56.71586	0.4
65.64834	0.5
67.05493	0.5
69.07049	3.1
70.06579	3.1
70.87088	0.5
72.04499	3.0
72.08167	7.2
79.05510	0.8
81.07043	2.8
83.04932	0.4
83.08578	0.7
84.08154	37.3
91.05482	1.6
93.07047	1.9
95.08585	0.6
98.06032	2.4
98.09657	0.6
105.07023	2.2
107.08583	3.2
109.10153	0.9
114.09180	30.7
115.08720	8.3
116.07101	0.8
119.08526	0.5
121.10109	2.5
123.11675	0.9
127.08682	10.7
128.07043	0.7
133.10123	3.9
139.08685	0.5
139.11194	0.6
143.11816	37.0
144.12189	0.7
150.12692	0.7
151.11153	1.2
157.09732	11.0
178.93613	0.5
193.13329	1.0
197.12804	0.8
205.42531	0.5
247.17976	0.9
248.16531	0.6
263.21167	2.1
265.19025	2.1
266.17545	5.6
283.20105	2.7
342.23801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.3
55.72752	0.6
56.63934	0.5
59.44375	0.5
60.73177	0.5
67.05499	0.7
69.03434	0.9
70.06599	4.4
72.04501	2.3
72.08149	4.0
78.40986	0.5
81.07061	1.8
83.04961	0.7
84.05606	3.2
84.08149	40.2
92.17886	0.9
93.07020	2.9
97.06462	0.7
98.05987	0.8
105.07014	0.9
107.08559	2.5
109.10133	3.3
113.10748	1.0
114.09174	30.9
115.08728	6.0
115.09457	1.1
123.11679	2.2
125.09600	1.0
125.10714	2.5
127.08697	9.7
131.11830	0.6
133.10168	4.4
143.11806	62.6
144.11282	1.0
150.12735	0.9
151.11127	3.2
156.11282	0.7
157.09735	7.8
157.13322	0.7
166.08531	0.5
169.12215	0.9
183.12872	0.5
186.12341	1.0
197.12846	0.6
247.17917	1.2
248.16403	0.7
265.19083	0.6
298.12173	0.6
342.23788	100.0
344.02054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2389
Annotation	Diprotin A
Peak:m/z	Relative Intensity
53.30684	0.6
55.05527	1.3
56.61649	0.8
63.16759	0.6
65.08768	0.7
67.05508	3.2
67.86934	0.7
69.07056	3.8
70.06600	9.2
71.06936	1.0
72.04508	5.8
72.08164	10.9
75.79646	0.7
78.38876	0.7
81.07059	3.2
84.05607	0.8
84.08150	60.6
85.06565	1.1
85.08476	4.8
91.05511	1.0
93.07047	3.6
95.08587	1.8
98.06064	3.6
105.07050	1.8
107.08610	1.8
109.06516	1.3
109.10174	3.1
110.10547	0.9
112.07576	1.9
114.09175	64.2
115.08693	12.9
115.09512	9.3
121.10137	1.5
123.11673	1.1
125.10765	1.7
127.08672	12.9
130.07401	1.0
131.11766	1.0
133.10117	5.4
138.12799	3.0
139.13132	2.7
143.11807	63.9
144.11263	0.7
144.12173	14.9
151.11208	1.2
157.09712	12.1
157.13269	1.0
173.37016	0.8
186.09122	1.8
188.07954	1.6
197.16544	1.9
198.16855	5.8
216.18036	1.1
224.15776	1.5
241.16556	1.3
242.16896	1.1
247.18069	1.0
257.19766	4.2
258.20062	9.5
260.18024	1.5
263.21225	1.8
265.19003	1.9
266.17502	6.8
268.70877	0.8
282.11975	1.0
283.20157	3.6
310.11475	3.2
310.23184	11.5
324.23932	3.9
342.14423	4.5
342.24066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13849	0.4
56.96565	0.5
57.17219	0.4
57.25043	0.5
65.09351	0.4
69.07071	3.6
77.48888	0.5
79.05495	0.8
85.02917	0.5
86.09710	71.6
92.18581	0.7
95.08549	0.6
99.04458	0.8
104.93219	3.8
107.08590	2.4
111.25962	0.5
119.08601	1.0
121.10179	1.3
122.94318	0.5
132.10210	27.5
133.10069	0.6
135.08060	100.0
158.04866	0.6
167.10649	0.7
176.05922	0.9
230.10616	0.9
246.60286	0.7
248.12146	0.6
248.16446	11.6
260.06259	2.9
260.16583	0.8
275.73938	0.6
276.15930	2.9
278.07349	6.9
278.17511	1.2
294.17004	47.8
296.08417	7.5
311.64194	0.6
324.18127	4.8
324.21667	1.0
342.19162	14.4
342.22821	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	342.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06440	0.2
51.98831	0.2
52.16589	0.2
60.94558	0.2
63.95131	0.2
70.06597	100.0
72.08170	0.5
80.74965	0.2
84.08174	0.2
86.09730	0.3
108.61295	0.3
126.30544	0.2
128.10719	0.2
128.71181	0.2
130.12595	0.2
163.03894	0.9
236.93858	0.2
252.21901	0.2
324.18054	0.3
342.19122	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	341.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66307	0.4
53.21352	0.4
55.59295	0.3
60.05655	0.4
65.15440	0.3
67.05506	0.7
70.06601	11.8
72.04512	1.7
72.07865	0.3
72.08161	5.4
79.05476	0.5
81.07082	3.0
84.07672	0.8
84.08151	16.4
89.33129	0.5
91.05477	0.8
93.07041	3.1
101.15157	0.4
105.07037	1.6
107.08606	5.4
109.10150	0.9
109.97628	0.4
112.06888	0.6
112.07606	7.8
113.07121	0.5
113.10768	0.7
114.09175	22.0
115.08682	2.0
121.10184	0.4
123.11701	0.9
131.11804	0.9
133.10158	3.0
143.10841	0.9
143.11801	24.5
150.12845	0.9
151.11185	0.6
156.11319	0.5
157.09711	2.2
171.12421	0.7
173.13959	1.9
181.13400	0.5
189.13463	1.9
197.13934	0.7
204.17416	0.6
239.18672	0.6
263.21130	1.7
281.22232	2.1
299.23288	2.3
305.23279	2.0
323.24448	3.5
341.25470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18834	0.6
58.05186	0.6
64.76515	0.6
65.68627	0.6
67.05511	1.1
69.12315	0.7
69.87192	0.7
70.06594	6.8
72.04513	3.8
72.08158	6.2
84.07681	1.1
84.08154	25.8
85.06546	4.0
86.93081	0.8
107.08564	0.7
109.06571	0.9
109.10180	4.8
110.07154	4.0
112.07672	2.9
113.10748	0.7
114.09178	44.6
115.08725	1.1
126.10200	0.8
137.06001	12.2
138.12799	8.9
139.32413	0.7
140.59901	0.7
143.11819	50.7
149.52980	0.7
161.05927	0.8
163.07542	1.3
167.99121	0.7
175.07527	3.4
181.13330	2.8
185.13982	1.7
191.07034	6.4
197.13936	1.6
197.16501	20.6
205.08659	7.5
215.17476	5.9
217.08662	1.2
223.15558	9.0
239.18611	2.3
240.17082	0.8
241.16583	4.3
257.19748	30.7
259.17630	0.9
283.96567	0.8
305.23352	1.4
316.79602	0.8
323.24329	3.1
341.14090	8.6
341.25507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27555	0.3
54.97470	0.3
55.05500	0.5
56.29573	0.4
67.05495	0.5
70.06589	3.8
71.05007	0.5
72.04517	3.0
72.08165	5.9
81.07041	2.1
84.08152	31.2
91.05448	0.5
93.07036	1.6
105.07023	0.6
106.54771	0.5
107.08593	2.6
109.10166	3.5
110.07153	2.3
112.07597	0.7
113.10741	1.8
114.09175	31.8
115.08662	1.5
120.13825	0.4
123.11692	1.5
125.10756	0.7
126.10303	0.7
131.11766	0.7
133.10124	1.9
139.11047	0.6
143.11812	44.8
150.12776	0.6
151.11171	0.9
156.11302	2.9
157.09691	0.6
173.13989	2.7
185.13997	4.1
192.14977	3.7
197.13882	0.8
210.16000	0.5
223.15501	3.0
228.17139	0.6
264.20624	0.5
299.23270	0.6
305.23279	3.4
323.24371	4.1
341.25476	100.0
362.42249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60495	0.3
61.53448	0.3
64.60371	0.3
67.70943	0.3
69.03440	0.9
69.07066	2.3
70.06586	2.0
72.04505	0.9
72.08156	2.2
81.07047	0.8
84.07677	0.8
84.08153	18.2
84.19881	0.4
92.10294	0.4
93.07034	0.8
95.04948	0.4
95.08585	1.7
101.14270	0.4
106.82998	0.4
107.08608	1.5
109.06540	0.6
109.10148	2.6
112.07617	0.7
113.10720	0.6
114.09169	23.6
115.08727	0.6
119.08567	0.5
125.09663	0.5
125.10814	0.5
126.07609	0.5
127.08723	0.7
131.11815	1.0
133.10144	0.6
136.11229	3.5
137.05983	1.6
137.09648	0.8
137.21445	0.4
143.11809	41.0
149.39160	0.4
151.11201	2.1
154.12291	3.0
156.11354	1.9
156.16994	0.4
167.11885	0.6
173.14003	5.3
175.07481	0.5
176.46352	0.4
179.11848	0.6
185.13846	0.4
191.07104	0.6
195.01501	0.4
196.14436	1.9
205.08690	0.6
223.15581	0.9
241.16585	0.6
253.16449	1.5
291.21738	2.5
299.23398	7.9
309.22861	27.3
324.22845	2.4
341.25485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17860	0.4
72.04507	2.5
72.08157	3.7
77.77707	0.4
82.37823	0.4
84.05607	2.6
84.08147	0.7
96.05611	0.8
114.09178	17.1
124.08640	0.5
126.04676	0.5
136.08725	0.5
137.06004	4.4
138.10194	0.5
143.11778	2.0
175.07497	0.6
192.14960	2.6
197.13979	11.0
210.16035	3.5
228.17149	0.8
230.86014	0.4
237.17053	0.7
291.10315	0.6
293.23456	2.5
305.23282	1.1
323.12952	0.6
323.24457	12.6
330.88113	0.5
341.25479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38203	0.2
55.01869	0.3
55.05527	0.3
60.05659	0.4
67.05229	0.3
67.05519	4.0
69.07059	2.2
70.06584	0.7
72.04504	1.5
72.08165	4.1
76.07683	0.3
79.05502	2.7
81.07069	8.1
83.04977	0.5
84.08138	0.6
85.06558	1.2
86.06084	0.5
91.05472	3.2
93.07039	2.0
95.04992	0.5
95.08602	0.4
97.40013	0.3
98.06046	0.6
100.07648	0.6
105.07033	4.0
107.08578	2.0
109.06522	0.7
109.10146	1.3
113.10777	19.3
114.09176	46.3
114.10398	1.4
115.08694	7.9
123.11738	2.2
126.12786	1.7
130.69070	0.4
131.11813	9.6
133.10117	2.2
136.59695	0.3
143.11813	1.2
150.12784	0.6
151.11203	0.5
156.11333	26.6
173.13983	29.2
187.07544	0.4
193.13359	0.5
197.14034	0.5
249.63390	0.3
263.21307	2.6
281.22217	1.3
305.23410	1.4
306.21777	0.6
323.24442	5.7
341.25488	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08176	0.3
53.35341	0.3
55.05523	9.8
57.04319	0.3
59.04980	1.5
59.37033	0.3
60.05642	0.5
67.05500	0.7
70.06594	0.8
71.04995	0.5
72.04504	0.8
72.08161	5.3
73.06561	0.5
78.92601	0.3
79.05495	1.9
79.58294	0.3
79.70083	0.3
81.07057	4.1
83.04984	7.0
84.08115	0.7
91.05488	5.8
93.07049	2.7
95.04948	0.4
95.08593	0.7
101.06017	2.5
105.07046	9.8
107.08570	0.8
109.10168	0.5
113.09981	0.7
113.10770	21.1
114.09168	37.2
114.10392	1.1
115.08687	9.0
131.08563	0.4
131.11795	5.1
132.01109	0.6
133.02837	1.2
133.10147	2.5
137.06021	0.7
143.11809	0.6
156.11330	26.5
163.03911	0.4
173.13979	37.8
176.04651	2.2
177.05444	0.4
187.07520	0.6
191.07021	0.7
208.09732	0.8
210.89635	0.3
220.09662	1.2
223.15652	0.4
299.23291	0.3
306.21500	0.3
323.12628	0.6
323.24344	3.0
341.25467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18262	0.3
51.24354	0.3
55.05263	0.5
55.05521	10.2
55.58306	0.4
59.04993	1.1
67.05507	0.9
68.89407	0.4
70.06573	0.7
72.04501	0.9
72.08164	3.5
73.04022	0.4
73.06522	0.7
76.22448	0.4
79.05483	1.9
81.07065	5.2
83.04986	7.4
86.87744	0.4
91.05508	3.8
93.07045	3.7
101.05996	3.0
105.07030	8.3
105.24567	0.4
107.08607	2.1
109.10112	0.7
110.15924	0.4
111.08049	0.9
113.10772	22.9
113.86465	0.5
114.09166	38.9
114.10377	1.8
115.08692	8.3
131.11844	6.0
133.10124	2.6
143.11783	1.1
154.34682	0.5
156.11327	26.3
172.70297	0.5
173.13971	34.3
194.98962	0.4
223.15575	0.9
225.35002	0.4
251.82889	0.5
266.05945	0.5
323.24487	3.2
330.71481	0.5
338.23914	0.5
341.25467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84362	0.4
59.35772	0.4
60.05638	2.5
65.60703	0.4
67.05492	2.6
69.07060	1.6
70.06602	3.4
71.63476	0.5
72.04507	1.0
72.08156	5.1
79.05490	2.0
81.07065	7.1
84.08131	1.1
85.06523	0.7
91.05457	2.5
92.18401	1.0
93.07057	6.0
95.04994	0.9
95.08570	0.9
103.05475	1.0
105.07030	3.4
107.08590	1.1
109.10146	0.6
113.10771	17.7
114.09171	41.3
114.10303	1.6
115.08704	6.9
116.07083	2.1
121.10096	2.2
123.11690	1.8
131.04918	2.7
131.11818	7.7
133.02835	1.9
133.10092	1.1
137.05989	2.4
143.11810	2.9
144.69298	0.4
156.11325	24.7
163.03926	0.8
163.07547	2.6
167.67618	0.5
173.13980	23.2
175.11858	1.9
177.05389	0.6
187.07564	0.6
226.15672	0.6
263.21170	2.3
299.23312	0.7
305.23343	0.9
311.12607	0.7
323.21066	0.7
323.24359	5.1
341.21973	6.9
341.25467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96033	0.4
55.05515	0.5
56.44664	0.4
60.04528	0.6
61.97860	0.5
69.07064	1.1
70.06606	1.9
72.04503	3.4
72.08150	6.7
77.26852	0.6
78.74493	0.5
81.07053	2.0
84.05626	0.5
84.08150	40.8
96.51466	0.6
107.08620	0.8
109.10135	1.9
111.76080	0.6
112.07715	0.6
113.10776	1.0
114.09173	41.0
115.08708	0.9
125.10767	1.0
126.10253	0.8
131.11812	2.2
143.11803	47.6
150.12691	0.6
156.11325	2.2
157.09654	0.8
180.14894	0.6
185.13969	2.5
192.14932	0.9
193.13428	0.9
197.13968	2.5
210.15948	1.1
263.21155	0.8
305.23288	0.9
323.24454	4.5
341.25473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41640	0.6
55.05496	1.2
56.03589	0.6
60.05648	1.2
61.34409	0.6
67.05493	3.7
69.07069	1.3
70.06580	1.3
72.08156	9.8
76.02210	1.4
76.65603	0.6
79.05476	1.6
81.07071	5.4
84.08128	0.8
85.06542	9.8
86.00658	11.3
86.99042	0.9
91.05460	1.4
93.07021	4.3
95.04955	1.3
95.08547	0.9
98.06055	0.8
105.07009	3.2
107.08610	1.0
109.10130	1.1
113.10769	19.4
113.83667	0.6
114.09167	44.9
114.10329	1.3
115.08678	7.3
121.10130	2.7
122.02728	8.4
123.11730	0.8
126.70212	0.6
129.87071	0.8
131.05009	0.6
131.11812	8.4
132.01151	20.5
133.10143	0.8
137.05972	3.8
143.11761	0.8
150.12857	0.8
156.11320	22.3
163.03902	1.0
165.05511	0.7
173.13971	26.0
174.50655	0.7
175.11812	1.0
176.04686	26.6
176.54843	3.2
179.07028	1.3
180.07870	7.1
187.03888	4.7
187.07520	1.1
191.06985	4.5
197.13773	0.9
211.58357	1.1
220.09668	4.5
263.21143	1.4
291.09998	0.9
299.23254	0.8
305.23242	1.2
323.12494	0.8
323.24417	6.2
341.10187	2.9
341.25473	100.0
351.08716	2.8
357.14792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58433	0.5
54.09414	0.5
69.07063	3.0
69.95438	0.6
70.06583	3.1
72.04519	3.2
72.08154	6.9
81.07072	0.7
84.05592	0.7
84.08152	37.9
93.07057	0.6
107.08593	0.6
108.73032	0.6
109.10211	1.8
112.07643	0.6
113.10714	0.6
114.09180	42.9
115.08697	1.1
117.68699	0.6
123.11682	0.7
125.10721	0.8
131.11803	3.2
133.10043	0.6
134.09669	1.0
143.11809	48.7
146.10440	0.6
156.11354	1.3
156.33521	0.6
157.09683	1.1
180.24017	0.5
185.13988	2.5
192.14917	1.0
193.13431	1.1
197.13991	2.6
210.16068	1.2
210.18269	0.6
228.17035	1.1
246.19125	0.5
305.23254	1.1
307.91489	0.6
314.50012	0.6
323.24527	4.3
324.22787	0.7
341.25491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86887	0.3
59.63158	0.3
60.04504	0.3
60.37700	0.3
63.92029	0.3
64.78316	0.3
67.05508	1.4
69.07054	0.9
70.06598	3.4
72.04533	3.2
72.08157	6.9
79.05507	0.5
81.07032	1.5
84.05612	0.6
84.08149	36.3
91.05453	0.8
91.31570	0.4
93.07047	0.9
96.05625	0.5
105.06990	0.4
107.08580	0.7
109.10146	2.0
110.07242	0.4
113.10757	0.6
114.09171	40.8
115.08682	2.3
124.08663	0.5
125.10763	0.9
126.10268	0.4
131.11812	3.1
133.10109	0.8
134.09540	0.4
143.11800	48.8
150.12791	0.4
152.17653	0.4
153.61984	0.4
156.11292	2.0
157.09814	0.5
185.13959	2.8
187.07266	0.4
192.14885	0.8
193.13373	1.5
197.13959	2.6
210.16016	1.8
228.17281	0.4
228.40149	0.4
256.28546	0.4
263.21143	0.5
269.84427	0.4
293.23404	0.5
305.23276	0.9
323.24442	3.7
341.25464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
55.05522	26.9
57.03445	2.6
67.05510	29.0
69.03424	8.4
69.07084	20.1
71.04981	5.6
71.08636	2.5
75.26310	2.0
79.05513	23.4
81.03422	13.1
81.07073	59.9
83.04989	5.3
83.08633	38.5
91.05474	12.8
92.27422	2.2
93.07072	26.1
93.07582	3.5
95.04990	18.4
95.08617	24.3
97.06525	9.5
97.10181	83.5
99.08086	10.8
101.74754	2.3
105.07034	11.3
107.04902	2.6
107.08601	38.9
109.06519	4.4
109.10167	11.4
111.04441	13.3
111.08098	10.7
117.07014	4.7
117.92628	2.3
119.08578	19.5
121.06496	3.3
121.10162	16.0
123.08073	37.4
125.09631	84.9
129.07103	3.6
131.08553	9.3
133.10143	9.9
135.08076	16.4
135.11684	11.7
137.06030	3.6
137.09612	9.7
139.11174	2.4
145.10129	14.0
147.08104	9.8
147.11679	10.0
149.09677	3.0
153.09131	11.7
153.12782	4.4
153.22610	2.4
157.10184	5.5
159.11662	5.1
161.09592	3.7
163.11198	24.5
165.09119	9.2
165.12785	3.1
170.07146	2.2
171.10199	3.0
171.11673	4.5
172.04224	2.1
175.11186	5.2
181.12320	3.6
185.13206	2.4
189.11232	15.1
191.10660	3.2
193.12273	15.6
203.12857	25.2
227.12813	10.2
241.14497	2.2
251.16301	2.4
273.18478	31.0
291.19608	100.0
305.21100	28.2
309.20798	21.5
309.23993	3.0
323.22174	98.6
341.23297	1.9
341.24838	3.1
341.28693	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72088	0.5
52.83078	0.6
54.21711	0.5
58.52078	0.6
67.65728	0.5
70.06583	1.4
72.04511	2.4
72.08151	4.6
81.07047	1.0
84.05611	0.6
84.08146	9.7
84.08613	1.0
85.37673	0.5
91.05495	1.1
93.07008	1.0
95.04938	0.7
95.08606	4.8
103.05482	0.7
105.07024	3.6
107.08590	1.0
110.07146	4.0
113.10777	8.9
114.09171	37.3
114.10317	1.0
115.08685	3.9
123.08050	3.7
131.04919	1.3
131.11787	2.4
137.05975	3.0
140.62491	0.6
143.11798	31.5
150.09138	5.1
150.10162	0.7
151.07503	1.1
156.11308	13.2
161.43796	0.6
168.10167	7.1
168.11311	0.7
173.13966	18.4
181.21489	0.6
185.27557	0.6
192.11261	0.8
192.14948	7.8
197.13954	4.7
210.12447	2.4
210.16064	3.7
223.15485	5.4
224.16428	0.7
228.13458	1.4
247.14488	0.6
264.16995	3.2
278.18643	3.2
282.18118	1.3
305.20047	1.4
305.23233	7.4
323.20752	26.9
323.24460	29.6
341.21793	100.0
341.25531	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	341.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42723	0.2
66.28963	0.2
70.06574	1.8
72.04510	1.5
72.08160	4.6
74.27029	0.2
78.85623	0.2
79.05484	0.6
81.07056	1.2
84.05616	0.5
84.08148	4.7
93.07052	0.3
95.04957	0.4
95.08594	1.1
98.12173	0.3
99.29514	0.3
105.07021	1.6
109.06483	0.3
112.05084	1.0
113.10751	1.4
114.09173	15.5
115.08692	1.1
122.09668	0.6
123.08086	1.4
131.11855	0.3
132.08070	1.3
133.06490	1.0
143.11809	9.9
150.09154	3.3
151.07545	0.3
156.11316	2.7
168.10211	5.5
169.08699	0.4
169.10109	0.3
173.13988	8.7
174.10291	0.4
175.08650	0.3
185.14034	0.4
186.11256	1.4
192.11311	1.5
197.13934	0.6
210.12369	2.7
225.13495	0.3
239.14987	1.9
264.17068	0.4
275.18640	0.4
280.20004	0.4
305.19760	4.6
323.20761	18.5
323.24576	0.6
341.21832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33678	0.5
55.05511	0.7
60.05655	24.8
67.05502	2.4
68.68458	0.5
69.07064	0.7
70.06597	22.4
72.04528	0.8
72.08158	4.8
72.09416	0.5
75.04476	2.8
79.05489	1.1
81.07076	5.5
84.08147	0.8
85.06552	6.7
86.00678	0.9
91.05470	3.7
92.55670	0.6
93.07050	31.2
95.08597	0.9
96.92509	0.5
98.26662	0.6
105.07018	1.1
107.08591	0.7
111.08084	3.7
112.08750	5.5
113.10763	6.7
114.09174	19.7
114.10008	1.0
114.10316	1.0
115.08707	5.1
116.07092	20.9
121.10151	17.7
122.02765	0.7
123.11744	0.7
130.09781	10.3
131.08569	0.7
131.11824	3.7
132.01164	2.5
133.10074	0.6
133.39886	0.6
143.11826	2.3
149.09642	2.5
156.11327	11.1
157.10814	0.6
158.09251	9.1
173.14001	11.2
175.11906	24.1
176.04710	2.5
182.93152	0.7
187.04071	0.8
226.15511	2.5
263.21112	1.2
296.19727	3.2
305.23474	1.0
323.24167	4.2
341.21835	100.0
341.25568	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	341.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
58.06606	0.9
60.05643	1.1
60.08158	0.8
60.15031	0.5
60.44741	0.6
68.85891	0.5
68.91407	0.5
70.06245	0.7
70.06598	19.4
71.04977	0.5
72.08161	21.2
75.82486	0.5
76.22141	0.5
79.64310	0.5
80.80001	0.5
84.04530	1.0
84.08144	10.5
85.02924	0.7
86.00634	1.0
91.05402	0.8
97.07124	0.5
97.07685	9.0
98.06030	4.5
104.26314	0.7
107.04948	2.8
107.07887	0.6
112.08759	0.8
113.07140	5.8
114.09195	0.9
114.09457	0.8
114.10284	10.8
115.08701	5.6
115.98714	0.5
120.97340	0.6
122.02710	0.9
123.04420	1.2
125.05999	0.6
129.10175	1.1
130.09767	0.9
130.11201	0.5
131.11833	0.6
131.12917	0.8
132.01154	3.1
135.04399	2.2
136.06177	3.0
137.05963	3.1
140.08199	3.5
145.02861	2.5
147.04498	0.8
151.03896	3.3
153.04224	0.8
153.05467	22.5
163.03905	5.3
164.07065	0.9
165.05438	1.4
167.07100	4.3
170.55060	0.6
176.04623	2.9
177.05415	4.5
178.04922	1.0
179.03384	12.5
179.07071	0.8
187.07533	1.0
193.04955	7.5
195.06516	1.2
196.05981	0.9
204.10178	1.1
205.13452	0.7
206.11746	4.7
210.07651	1.3
211.06030	1.3
220.09633	0.8
221.09616	0.6
221.13011	0.6
222.11296	3.1
229.07060	0.7
232.09723	1.3
248.13943	2.6
249.09344	0.7
249.12230	2.3
250.10814	4.0
252.12445	0.6
264.12497	3.2
279.17023	1.3
281.11841	1.2
281.14975	4.1
282.13309	10.1
292.12885	3.5
299.15952	0.7
309.11279	1.2
323.16531	4.6
323.19803	2.6
324.15588	3.6
335.50211	0.7
341.14462	4.0
341.18188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
58.06606	0.9
60.05643	1.1
60.08158	0.8
60.15031	0.5
60.44741	0.6
68.85891	0.5
68.91407	0.5
70.06245	0.7
70.06598	19.4
71.04977	0.5
72.08161	21.2
75.82486	0.5
76.22141	0.5
79.64310	0.5
80.80001	0.5
84.04530	1.0
84.08144	10.5
85.02924	0.7
86.00634	1.0
91.05402	0.8
97.07124	0.5
97.07685	9.0
98.06030	4.5
104.26314	0.7
107.04948	2.8
107.07887	0.6
112.08759	0.8
113.07140	5.8
114.09195	0.9
114.09457	0.8
114.10284	10.8
115.08701	5.6
115.98714	0.5
120.97340	0.6
122.02710	0.9
123.04420	1.2
125.05999	0.6
129.10175	1.1
130.09767	0.9
130.11201	0.5
131.11833	0.6
131.12917	0.8
132.01154	3.1
135.04399	2.2
136.06177	3.0
137.05963	3.1
140.08199	3.5
145.02861	2.5
147.04498	0.8
151.03896	3.3
153.04224	0.8
153.05467	22.5
163.03905	5.3
164.07065	0.9
165.05438	1.4
167.07100	4.3
170.55060	0.6
176.04623	2.9
177.05415	4.5
178.04922	1.0
179.03384	12.5
179.07071	0.8
187.07533	1.0
193.04955	7.5
195.06516	1.2
196.05981	0.9
204.10178	1.1
205.13452	0.7
206.11746	4.7
210.07651	1.3
211.06030	1.3
220.09633	0.8
221.09616	0.6
221.13011	0.6
222.11296	3.1
229.07060	0.7
232.09723	1.3
248.13943	2.6
249.09344	0.7
249.12230	2.3
250.10814	4.0
252.12445	0.6
264.12497	3.2
279.17023	1.3
281.11841	1.2
281.14975	4.1
282.13309	10.1
292.12885	3.5
299.15952	0.7
309.11279	1.2
323.16531	4.6
323.19803	2.6
324.15588	3.6
335.50211	0.7
341.14462	4.0
341.18188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02985	0.4
55.05497	0.7
60.05667	2.6
69.03399	0.5
70.06598	3.3
72.08161	17.5
75.52747	0.3
82.06564	0.4
84.04514	1.2
84.08163	3.8
85.02924	2.5
86.09689	0.5
88.03986	0.5
88.11260	0.5
89.10803	0.4
89.11643	0.3
92.77898	0.3
94.45063	0.3
96.68932	0.3
97.02877	0.7
97.07664	4.9
98.06062	4.7
113.96365	0.4
114.10292	17.3
115.08680	3.3
123.04452	2.5
126.10291	8.4
128.07065	0.7
129.10236	0.7
130.05019	3.1
131.12935	6.4
133.02834	2.5
135.04396	0.8
137.06004	1.3
138.05496	0.5
140.08185	1.4
147.04382	0.5
147.07639	2.2
150.05470	0.3
151.03891	5.8
152.07024	0.4
153.05463	3.4
154.09778	0.5
156.06534	0.7
157.06880	0.6
157.10867	11.1
164.07108	0.4
165.05446	4.0
167.07048	0.5
167.97440	0.4
169.09682	0.4
174.07664	2.5
175.07898	1.9
177.05507	1.8
178.02599	0.5
179.03395	100.0
182.08124	2.4
183.06552	7.0
185.10416	0.4
193.04951	8.8
200.11047	0.3
207.07442	0.3
207.64914	0.3
211.11922	6.0
228.14604	1.9
236.12784	0.5
249.12283	0.5
250.10686	2.5
251.13849	0.7
252.12321	2.0
263.13986	0.6
264.12991	0.8
266.59177	0.4
274.12000	0.4
278.15048	5.3
282.13443	1.5
294.14526	0.6
306.14612	3.0
309.15628	1.4
311.17108	0.6
313.23520	0.7
323.11972	0.4
323.17154	2.3
323.20584	0.5
324.15506	0.7
341.08929	6.2
341.14218	2.7
341.18207	58.3
341.22162	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	341.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26414	2.2
53.00309	2.9
53.03960	4.4
55.01871	15.1
55.05526	29.7
57.03440	14.0
57.07079	15.1
59.05008	3.5
65.09937	2.6
67.05180	5.3
67.05511	84.9
68.99792	5.1
69.03436	70.3
69.07076	100.0
70.02171	2.4
71.01362	4.2
71.04987	5.1
71.08636	4.5
73.02911	2.8
79.05050	4.1
79.05496	41.8
81.03430	39.6
81.07066	78.0
83.04990	30.6
83.08636	21.7
85.02911	48.3
85.06536	4.4
85.10191	3.3
87.00848	27.9
91.05491	29.9
93.07056	51.7
95.04965	46.0
95.08610	35.1
97.02904	22.7
97.06528	12.9
97.10146	5.7
98.97584	4.4
99.04481	5.3
103.03903	3.7
105.01859	3.1
105.07021	31.0
107.04998	23.8
107.08592	49.1
109.02872	11.8
109.06522	13.9
109.10152	57.3
111.04465	26.4
111.08096	3.7
113.02331	4.4
114.29654	2.7
116.00365	2.7
117.07012	15.5
119.08583	20.1
121.06490	15.4
121.10168	26.2
123.04433	23.5
123.08022	2.7
123.11707	27.1
125.06001	3.1
127.03928	14.5
129.01828	4.6
129.06989	3.4
131.00182	3.1
131.08566	22.3
131.09396	2.6
133.06499	5.9
133.10136	21.0
135.04417	5.2
135.08014	4.1
135.11693	23.3
137.06009	20.0
137.09573	3.9
139.11180	3.8
143.08667	4.7
145.06461	3.2
145.10167	21.6
146.79547	2.8
147.02870	3.7
147.08032	5.1
147.11693	16.4
149.05969	6.6
149.09647	6.7
149.13289	3.5
151.07600	3.2
151.11171	54.1
153.12715	4.6
155.08557	3.3
158.99669	15.0
159.02928	10.4
159.08046	3.1
159.11705	13.8
163.11159	11.8
165.12746	5.6
171.11633	3.9
173.01205	19.0
173.09673	3.4
173.13266	13.3
175.11223	15.8
177.12735	6.3
184.97667	3.4
187.07535	4.2
189.12732	3.0
191.14337	17.6
193.12248	5.8
195.13835	4.6
201.00757	5.5
201.03983	13.6
201.12738	17.0
209.15254	3.6
219.13824	40.3
237.14819	43.4
244.99678	3.6
255.15994	6.3
305.13840	18.8
323.14923	27.1
341.16348	33.0
341.24704	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	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
60.05393	1.7
65.55429	1.8
71.04991	2.7
71.34330	2.2
107.04961	9.3
129.06981	3.7
131.04961	3.0
133.02843	11.1
137.05986	98.4
145.95738	2.2
149.05981	2.3
151.07584	8.6
157.06488	14.3
158.43759	2.2
161.05998	4.6
165.05464	5.3
167.07069	5.0
174.06731	3.9
175.07578	24.7
177.05498	4.0
177.09074	3.4
187.07536	51.8
189.09148	11.5
199.07579	3.2
203.08591	9.3
211.07552	17.2
217.08464	16.1
219.08031	4.9
231.08046	16.8
231.28912	2.7
236.08249	2.5
237.09052	3.7
239.07033	15.4
240.07899	15.8
247.07536	2.6
248.08337	16.5
249.09224	3.9
251.10594	4.0
255.06523	16.5
256.07269	12.4
259.07651	4.9
263.10657	26.4
264.07751	2.8
265.08499	3.3
269.08121	3.3
270.08862	51.0
271.09653	50.8
273.47476	2.2
276.07831	13.3
277.08527	5.1
279.10086	17.4
281.11740	3.1
283.09741	19.0
291.10175	56.2
293.08121	8.4
296.10464	12.1
297.10971	3.2
300.10059	3.2
308.10489	8.1
309.11246	10.4
311.12866	21.6
313.14346	4.4
323.12735	60.9
341.09720	3.8
341.13818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1388
Annotation	(+)-Galbacin
Peak:m/z	Relative Intensity
51.90325	1.6
55.46193	1.6
56.53483	1.8
59.48112	1.6
69.07074	1.9
70.11354	2.0
70.95826	1.8
81.07076	2.3
87.06715	1.9
87.13091	2.1
93.07042	1.9
95.04970	2.3
96.08130	4.5
107.04977	3.1
107.06092	1.9
107.08675	2.1
109.06537	2.4
113.10764	2.8
114.09172	51.5
115.09495	4.4
119.04955	2.2
129.06975	9.1
131.04942	7.1
133.02834	9.8
137.05989	100.0
143.08565	2.3
143.11804	10.1
147.04413	3.5
151.03903	8.3
151.07506	3.6
156.11334	2.5
157.06522	8.3
160.05234	2.8
161.05939	2.8
162.06754	4.3
163.07501	3.9
165.05461	3.8
167.07103	3.4
171.08133	2.4
172.05246	3.2
173.14012	3.1
174.06773	12.9
175.07552	13.0
187.07539	38.9
189.09091	22.2
199.07549	10.2
203.08490	3.8
211.07610	2.3
217.08595	24.4
219.08054	4.7
228.15930	2.8
231.08075	11.9
239.07062	3.7
240.07755	2.7
247.07410	2.8
248.08353	11.9
251.10693	7.8
253.08585	4.4
259.07529	4.1
261.08932	2.0
263.10712	22.7
264.07770	2.6
271.09671	10.9
276.07864	8.8
277.08875	2.9
279.10178	13.8
291.10150	35.4
292.10773	2.4
293.08023	4.5
296.10489	11.8
299.09079	2.9
308.10391	4.0
309.11264	3.4
311.12686	19.2
313.14209	2.7
323.12827	34.0
339.21521	2.1
340.75998	7.9
341.10129	10.1
341.13782	76.2
341.25409	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
52.42619	1.7
57.37568	1.5
62.08479	1.6
62.51789	1.6
69.03414	2.5
70.06599	3.4
71.04979	2.1
72.08144	7.2
72.93630	1.7
79.05491	3.2
81.07078	2.8
84.08150	4.3
85.02896	4.2
90.86086	2.0
91.05473	2.6
94.53222	1.7
95.04941	2.4
97.02933	2.5
97.06533	2.1
99.29447	2.0
100.29939	1.9
103.05474	2.3
105.07032	2.6
107.04955	7.5
107.56675	2.1
107.79794	2.0
109.06480	2.1
109.10192	2.1
112.90027	2.0
113.10778	7.4
114.09180	22.4
115.08661	3.3
125.05976	2.2
129.07008	16.4
133.02844	1.9
133.06477	4.7
137.05984	100.0
151.03877	2.9
151.07500	3.3
153.05464	2.2
155.04982	2.2
156.11330	14.2
157.06470	8.2
159.08046	2.9
161.05975	12.7
165.05470	2.2
167.06966	13.8
173.13948	15.6
174.06743	10.6
175.07547	11.9
176.90834	2.6
179.07074	3.1
185.06007	2.4
187.07553	60.8
188.08336	2.6
189.09088	22.4
191.06984	3.3
191.08624	2.4
197.13971	17.1
199.07614	4.6
203.08597	8.7
208.09705	8.1
210.12398	2.5
211.07571	4.3
217.08572	24.8
219.01855	2.5
219.08134	11.3
221.09717	4.3
225.05708	1.9
231.08063	16.4
234.06731	2.9
237.03000	2.2
239.07085	2.2
247.07420	8.3
248.08298	13.8
249.09135	12.2
251.10683	10.0
255.06612	2.3
259.07599	11.0
260.08264	3.2
261.09192	3.4
263.10751	21.9
264.07834	3.5
265.08652	8.0
266.09344	4.5
270.08868	10.1
271.09686	4.4
276.07898	9.6
277.08722	8.5
279.10110	18.1
280.10953	7.4
281.08008	3.2
281.11755	14.7
283.09729	3.4
291.10153	33.0
293.08011	7.0
294.08829	3.0
295.09726	2.2
296.10495	12.4
308.10498	3.5
308.38690	1.8
309.11224	17.2
311.12787	17.8
323.12808	45.1
323.24356	4.8
341.13855	79.3
341.21826	42.1
341.25528	89.8
362.02673	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	6-(1,1-dimethylallyl)naringenin
Peak:m/z	Relative Intensity
55.19086	0.6
78.54242	0.5
84.08141	0.9
88.82994	0.6
103.05456	0.6
108.97283	0.7
113.42319	0.6
114.09134	0.9
121.06514	2.8
122.03626	0.9
122.91547	0.6
131.04933	5.0
135.08008	0.8
137.05984	100.0
143.11798	3.8
149.05956	0.9
161.05984	1.6
163.07536	14.2
169.08459	0.7
173.05927	0.9
175.07541	25.8
179.07033	1.1
189.09200	0.8
191.07028	66.1
202.06239	2.6
205.08611	55.8
209.08116	5.8
217.08600	14.5
259.07495	1.0
267.10443	0.7
281.11560	0.9
291.10150	3.9
299.13019	1.3
323.12744	3.4
341.13846	50.5
341.25278	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	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
59.02910	1.4
59.35390	1.7
66.08428	1.5
67.05507	3.4
67.33057	1.5
71.04984	2.9
72.08166	2.1
79.05479	2.0
81.07080	1.9
84.08147	3.6
91.05505	1.8
93.07058	2.2
97.64949	1.4
109.06515	7.0
109.10174	7.2
109.72775	1.5
114.09158	14.8
123.08107	2.0
133.02866	3.4
136.11238	5.9
137.05986	100.0
143.11787	9.2
149.05968	2.8
151.07544	7.0
151.11214	2.6
153.05383	1.8
154.12323	2.7
157.06552	2.7
161.05974	2.1
163.07486	3.0
165.05452	2.8
173.13963	7.2
174.06795	3.3
175.07545	19.5
177.05498	2.7
177.09155	2.4
179.07108	2.6
187.07552	37.1
189.09024	14.6
194.52953	1.7
197.13921	1.9
199.07607	2.6
203.08585	8.6
211.07568	10.9
217.08559	17.1
219.08102	6.6
231.08037	15.9
233.09695	2.3
239.07071	13.3
240.07899	7.7
247.07503	3.6
248.08278	11.9
251.10677	3.4
255.06554	10.0
256.07355	7.0
259.07559	3.9
260.08420	2.5
263.10675	20.2
264.07797	2.7
265.08429	2.1
270.08835	34.4
271.09671	41.6
276.07803	12.7
277.08572	2.9
279.10269	11.2
283.09689	10.4
291.10162	55.4
292.10950	2.9
293.08090	9.7
296.10468	6.8
297.11139	3.1
305.11838	2.1
308.10419	7.8
309.22815	18.2
311.12793	17.0
323.12799	62.5
323.24048	2.4
341.13812	69.7
341.25436	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1022
Annotation	Cornigerone
Peak:m/z	Relative Intensity
55.01886	19.1
59.06622	1.6
61.57945	1.4
64.99247	1.7
89.48134	2.0
105.07039	2.9
107.04968	9.1
111.04440	2.8
127.04773	1.8
133.02803	1.8
133.06534	12.4
137.05969	13.7
139.03796	2.9
158.33141	1.7
161.05959	13.4
167.07077	2.2
170.03587	1.7
173.05995	3.0
174.06732	3.8
175.07530	4.0
183.08055	2.0
187.07518	7.4
189.05498	14.6
194.07164	2.0
201.05487	9.5
202.06299	8.6
203.51253	1.7
211.07538	2.8
213.09157	1.8
221.06023	3.7
224.08319	2.8
225.09161	2.2
227.06917	6.2
235.07527	6.9
241.08534	2.1
248.08028	1.9
249.09158	2.3
250.06142	4.1
252.07779	11.2
253.08549	20.0
255.06523	11.9
256.07513	2.6
259.09671	2.3
261.09308	1.8
263.06995	14.7
265.08612	60.0
266.05630	2.0
266.09543	2.6
267.06491	7.1
267.09924	2.1
270.08832	3.6
271.09671	2.3
276.96838	2.0
279.06424	3.0
280.07312	11.9
281.08069	13.1
281.10977	2.2
282.08994	2.7
283.06030	7.3
291.10272	2.6
292.07419	2.3
295.09668	8.0
309.07632	16.9
309.11230	77.8
310.08383	3.5
313.10608	3.8
323.09152	8.9
323.12625	5.6
341.10178	100.0
341.13925	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1021
Annotation	Vitexdoin E
Peak:m/z	Relative Intensity
54.20504	1.1
54.87282	1.3
55.01653	1.3
55.01881	22.1
65.03960	1.4
65.21832	1.0
66.37083	1.1
85.93686	1.2
90.71111	1.3
105.07043	1.6
107.04984	1.4
111.04413	5.1
115.05452	2.3
133.06476	11.8
137.05972	11.6
139.03883	4.9
144.08075	7.5
145.06514	2.4
153.05421	1.4
161.05969	13.6
165.06955	1.6
167.07056	2.5
170.09624	15.5
171.10396	2.3
173.05946	1.9
174.06709	5.7
175.07523	2.4
187.07542	5.4
189.05476	12.6
199.07681	1.9
199.12308	1.7
201.05463	11.5
202.06232	2.3
202.14612	1.6
203.07117	1.7
210.06798	5.6
217.08597	1.4
221.06018	5.1
222.06685	1.9
224.08260	2.3
225.09167	5.1
227.07031	6.4
235.07619	6.5
237.05579	2.2
238.06294	3.1
239.06938	2.3
241.08424	1.4
245.38666	1.4
249.05463	5.1
249.09109	1.8
250.06345	2.7
252.07869	7.3
253.08546	19.8
254.09872	1.4
255.06471	8.9
256.07419	2.3
257.08255	1.4
263.06955	18.0
264.07959	1.7
265.04950	4.9
265.08505	1.5
266.05814	2.7
267.06540	8.4
267.10153	1.4
270.08856	5.8
278.05670	1.7
279.06622	2.3
280.07187	9.9
281.08173	15.4
281.10907	1.9
283.06046	2.9
291.06793	1.4
292.07349	7.0
295.06259	1.6
295.09692	6.7
298.08423	2.9
309.07675	13.9
309.10870	2.7
310.08301	4.8
311.12659	2.0
313.10602	3.1
323.09125	14.3
341.10199	100.0
341.13757	9.3
341.19791	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	340.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29987	1.7
54.04236	1.6
55.05519	3.7
60.04536	19.6
67.05492	2.6
69.07069	15.3
74.99185	1.7
78.62572	1.8
79.05461	2.4
81.07049	8.9
83.08617	12.3
92.30999	2.1
95.08585	4.5
97.10162	13.0
108.06143	1.8
109.10166	3.8
114.12807	8.1
182.15454	3.4
200.16487	3.0
233.89981	3.6
252.89642	14.2
257.89859	4.2
275.91046	10.2
280.26410	8.4
298.27515	16.4
312.71356	2.0
340.28500	100.0
348.06836	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.285
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
55.05525	4.9
57.07078	3.2
60.04250	0.9
60.04533	17.9
67.05518	4.0
69.07067	10.6
71.08621	0.8
76.34010	0.5
78.25131	0.5
81.07060	7.6
83.08621	9.6
85.83112	0.5
91.05444	2.1
93.07045	2.2
95.08606	8.3
97.10180	6.7
97.40324	0.5
105.07023	1.3
107.08592	2.0
107.25031	0.5
109.10147	5.8
111.11718	2.4
119.08565	2.2
121.10149	1.4
123.08055	0.9
123.11669	2.5
128.14355	3.1
133.10130	2.7
135.11710	0.8
137.09633	1.3
140.10785	0.7
142.15924	9.8
147.11739	1.0
151.11166	0.6
154.12273	4.2
161.13254	0.9
164.68657	0.6
172.13301	3.7
173.51073	0.5
175.14767	0.9
180.46080	0.5
184.17018	0.5
233.90103	1.2
245.22765	1.1
252.89574	4.2
257.89923	0.7
263.23727	2.3
275.91064	4.8
280.26340	30.0
283.33725	0.6
298.27405	46.6
322.27399	1.3
340.28482	100.0
348.64392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02880	2.6
50.90873	2.8
52.69488	2.8
54.79420	2.4
55.05512	3.6
57.07104	3.2
60.04529	22.5
61.73463	2.9
69.07085	7.3
81.07056	5.0
83.08640	6.1
95.08576	4.8
97.10192	5.6
133.08864	3.6
142.15924	13.2
208.72870	2.8
233.90082	18.0
247.31528	3.3
252.89354	26.8
257.90018	7.4
270.17331	3.4
275.91061	20.1
280.26331	7.4
298.27466	16.9
298.92624	3.6
299.24185	4.2
340.28583	100.0
340.39453	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	340.2822
Annotation	N-Oleoyl Glycine
Peak:m/z	Relative Intensity
51.35990	0.4
52.27258	0.4
52.70705	0.4
58.99586	0.4
64.32790	0.4
72.64296	0.4
118.09112	0.5
123.60621	0.4
159.88846	0.5
183.81282	0.4
233.78926	0.4
302.27240	0.6
340.28226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24610	0.4
58.71866	0.5
121.01455	0.5
124.91946	0.5
151.07814	0.6
236.00734	0.5
252.89413	0.6
254.87181	0.7
271.06522	0.7
272.43994	0.5
275.91083	0.4
304.53125	0.6
331.75583	0.5
340.28232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01915	0.4
69.07078	7.0
70.63590	0.4
74.80558	0.3
76.15491	0.4
79.05484	2.2
86.91288	0.4
93.42046	0.4
96.08134	32.2
97.06529	1.6
100.68148	0.3
113.10774	18.2
114.09171	37.7
115.07534	1.6
177.71626	0.4
190.26625	0.4
208.18127	0.9
209.16499	60.0
226.19128	7.7
227.17537	20.1
228.15985	2.8
288.73788	0.4
322.24899	41.3
340.25952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35956	0.5
68.91917	0.6
69.07069	2.4
70.06594	0.6
70.07407	0.9
72.04528	1.3
72.08165	4.2
73.08474	0.8
81.07060	0.9
84.05640	1.1
86.07230	0.6
87.07990	0.5
92.95291	0.5
111.04431	0.6
113.10777	3.8
114.09182	17.7
114.11089	1.0
115.08721	2.4
115.09504	8.2
121.10127	1.2
122.10497	0.9
131.11800	1.3
132.12131	0.8
149.09587	2.0
150.08946	0.8
150.10043	2.2
151.09480	0.7
153.92982	0.6
156.11258	1.9
157.11723	1.0
168.11073	0.9
169.14128	0.7
173.13980	0.8
174.14304	1.0
178.12270	2.0
179.12650	2.8
197.14037	4.9
198.14325	4.9
220.16963	4.8
221.17307	16.8
237.19572	0.7
238.20018	5.1
249.33339	0.6
280.20929	2.7
281.20709	1.3
289.93832	0.6
298.22192	0.8
340.24240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2273
Annotation	Spiradine D
Peak:m/z	Relative Intensity
52.62123	0.3
57.07078	0.7
58.06602	0.5
71.60258	0.3
74.27100	0.3
83.95382	0.3
92.17896	0.4
95.04958	0.5
107.07376	0.4
107.08614	0.4
108.08131	0.6
120.08051	0.5
121.10125	0.7
133.10162	0.5
134.09650	0.6
135.07976	0.4
147.08058	0.3
147.11766	0.4
149.09631	0.6
163.11172	0.4
171.08023	0.6
175.11211	0.8
185.09554	0.7
189.12735	1.6
191.10710	0.5
199.11205	0.5
213.12785	0.9
215.14157	0.4
223.11189	2.7
227.14293	0.9
234.88383	0.4
237.12514	0.4
241.12329	1.3
244.28712	0.3
252.89503	2.2
257.89990	0.6
264.98929	0.3
265.15942	0.5
275.91000	1.6
280.16971	0.9
283.16888	2.3
284.17252	5.0
291.17612	0.4
322.21680	13.3
340.22723	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	340.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	7.9
70.06601	4.6
72.08163	59.3
73.08476	0.7
75.09247	1.3
83.06152	0.5
83.50652	0.6
84.04514	0.8
84.08151	8.0
85.02879	0.7
86.06059	0.8
86.09708	2.4
89.10766	0.8
92.46348	0.6
95.06087	3.5
98.06055	3.6
98.09698	0.9
100.07676	0.8
110.07172	10.4
110.09645	0.7
112.11250	11.7
113.07129	3.3
114.09169	2.6
115.07578	0.5
115.68825	0.6
119.37037	0.6
123.04408	3.1
124.05045	0.7
126.22057	0.6
127.08686	4.7
129.13896	7.0
134.74724	0.5
136.07632	2.5
137.05998	3.9
143.07063	0.7
143.11800	0.6
145.02982	0.9
145.05008	1.1
146.16553	6.6
151.78529	0.5
152.04558	0.8
155.11797	64.9
156.07719	0.7
156.10194	1.1
157.13373	5.7
161.05856	0.6
163.03905	37.2
166.97952	0.6
167.07068	0.7
170.05653	1.4
172.14452	7.2
177.05441	1.0
178.05055	1.2
178.08621	0.9
178.13403	1.0
189.16754	0.6
192.10194	0.6
206.08031	0.7
213.09006	2.2
214.09953	0.7
220.09663	7.8
223.15468	0.8
234.11234	11.6
237.12341	1.1
237.16051	1.1
242.09349	1.1
248.10388	0.9
251.14752	0.8
252.12306	19.7
269.15018	2.1
276.09683	0.6
291.17038	6.9
294.10840	0.7
296.20068	0.7
296.23380	1.0
304.09229	0.6
308.19687	27.2
318.85056	0.6
322.10236	2.2
322.13776	1.2
322.17657	0.8
323.19629	4.9
340.07013	1.3
340.11176	8.6
340.19098	5.3
340.22394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23459	0.6
53.03948	1.4
55.01865	1.2
55.05529	0.7
57.03435	4.4
61.02917	3.0
64.39348	0.7
69.03429	34.8
71.05004	7.5
72.08171	1.6
73.02902	3.9
81.03424	22.9
83.01344	1.1
84.08125	0.9
85.02905	69.3
86.09711	0.9
87.00827	33.7
87.04460	3.4
96.08138	1.1
97.02892	52.5
97.77295	0.8
99.03799	0.8
99.04446	24.1
101.02380	0.9
103.03958	0.8
105.01870	60.1
109.02875	21.6
115.03944	1.7
120.08091	1.2
123.89496	0.8
127.03911	100.0
129.01859	3.0
145.04955	46.6
152.77744	1.0
159.02873	5.8
171.02878	1.7
213.03990	3.5
224.16525	1.4
231.04976	48.7
249.06021	46.8
305.12271	1.7
340.15878	0.8
340.25797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37733	0.7
53.06715	0.8
55.01877	0.8
57.03438	1.7
57.07081	1.0
58.06623	0.9
59.67398	0.7
61.02927	3.2
69.03436	17.8
70.06595	3.9
71.04988	3.4
72.08133	1.5
73.02904	3.7
73.08412	0.8
81.03429	9.5
84.08122	0.9
85.02908	71.5
87.00830	35.6
89.62401	0.8
97.02303	1.5
97.02898	30.5
99.04466	10.4
105.01871	100.0
108.04488	1.8
109.02882	15.5
123.04398	1.1
127.03919	57.7
129.01814	1.8
136.06189	1.5
136.07504	0.9
138.05397	0.9
145.04965	27.8
159.02878	7.6
163.03893	1.5
177.05444	0.8
178.05028	1.3
192.06599	2.6
194.05380	1.0
210.30226	0.8
213.03944	1.4
231.04987	34.3
249.06058	44.8
284.09872	1.3
290.16068	1.0
340.16159	1.6
340.19720	4.8
340.23642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.1
57.03433	3.1
61.02934	1.7
65.13631	1.3
69.03436	26.7
70.06590	2.1
71.04985	5.3
72.08157	6.0
73.02930	3.0
81.03411	19.5
85.02905	100.0
87.00830	41.3
96.08141	2.1
97.02311	1.6
97.02889	32.1
97.38470	1.4
99.04452	16.3
104.30279	1.3
105.01868	92.2
109.02875	28.5
114.09142	5.2
117.01839	1.6
120.08038	2.0
127.03915	82.9
129.01843	2.0
145.04958	30.7
147.02843	1.6
159.02914	17.5
163.03859	2.0
177.05397	1.9
189.96844	1.4
209.16481	6.6
213.03860	1.4
231.04977	34.0
240.87775	1.7
249.06032	14.6
287.11160	1.5
305.12326	5.1
305.42493	1.4
322.24918	3.1
340.16116	6.5
340.25906	8.4
362.90311	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	340.103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.3
57.44126	0.4
62.25035	0.4
69.03468	0.5
70.06583	2.2
72.08147	2.6
76.59641	0.4
84.08134	0.7
88.11279	3.5
91.59647	0.5
101.97305	0.5
110.06069	0.5
114.78391	0.5
117.07037	0.5
120.08095	0.7
121.02835	0.6
136.06241	0.5
138.98413	0.7
143.07005	0.6
157.06497	1.2
158.17918	0.5
161.05948	2.2
162.09103	0.5
163.03905	0.6
163.07506	2.2
169.06490	0.6
170.43744	0.5
171.08095	1.0
173.05991	6.5
177.05458	10.2
179.07083	1.7
185.06006	3.2
185.45671	0.4
186.09056	0.5
187.07587	0.8
189.05522	5.3
190.08614	1.9
191.07051	17.1
197.05977	4.2
199.07477	0.7
201.05510	3.0
203.07047	2.1
205.05023	0.8
206.08057	1.8
207.08916	12.7
208.09708	15.3
213.05490	9.8
213.37460	0.6
215.07094	5.5
217.05016	3.3
217.08609	0.7
225.05539	1.2
229.04980	5.2
230.06006	0.7
230.65361	0.5
231.06479	3.6
241.04935	4.3
243.06479	5.3
247.05998	5.2
250.10721	3.2
250.14436	0.8
252.08661	0.5
257.04376	1.7
259.06039	8.0
261.07462	1.0
265.06995	0.6
269.04349	0.8
275.05396	4.3
278.10294	2.2
280.08276	2.3
293.06784	0.8
304.08176	0.5
316.99576	2.3
322.09195	2.9
323.39227	0.6
340.10278	100.0
340.14050	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	339.2534
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
53.02454	2.6
55.05515	11.9
57.07076	13.4
58.78015	2.6
67.05515	31.2
69.07082	25.9
71.04987	2.9
71.08645	5.1
79.05504	15.1
81.03419	4.3
81.07064	34.6
83.04971	6.1
83.08613	3.9
85.06537	3.1
85.10182	31.9
91.05484	31.3
93.07050	26.7
95.04975	14.9
95.08620	20.8
97.06535	22.2
98.97560	5.5
99.08054	4.1
105.07005	21.0
107.04954	3.9
107.08598	27.1
109.06547	3.6
109.10156	53.6
111.08096	6.0
113.05996	2.8
113.09644	29.0
114.09162	3.6
116.98602	5.0
117.06992	5.1
119.08582	44.1
121.10164	12.9
123.11713	12.9
127.07609	3.5
129.07040	3.5
129.26746	3.0
131.08598	22.2
133.10139	55.7
135.08057	4.2
135.11743	6.9
137.09601	13.2
144.88425	3.1
145.10162	4.9
147.11659	6.4
151.11212	14.0
157.10149	26.8
159.11778	3.2
165.12764	56.7
169.12286	14.6
173.13280	27.2
175.11203	18.2
179.14301	5.8
181.12149	3.3
191.14272	20.8
197.14003	5.6
201.12726	2.7
201.16388	4.3
205.15930	18.4
219.17429	17.6
256.96637	3.9
267.21146	3.9
274.97495	19.3
285.22141	29.8
289.18079	3.5
292.98566	7.0
303.23169	71.5
321.20804	5.6
321.24280	100.0
339.19031	28.6
339.24976	20.6
364.49329	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	CHEBI:67808
Peak:m/z	Relative Intensity
55.01886	5.7
67.05514	10.3
69.03436	8.3
69.07079	7.1
71.08627	27.5
79.05489	12.9
81.03424	5.5
81.07061	27.4
82.26738	5.6
83.08632	24.6
84.24752	5.6
91.05478	5.9
93.07050	25.3
95.04970	5.7
95.08601	26.5
98.97586	31.5
99.08051	10.0
105.07053	6.9
107.08595	21.2
109.10138	7.5
111.08060	23.9
114.09169	22.4
116.98613	7.5
119.08578	28.4
121.10159	26.2
129.06955	8.0
131.08557	22.0
133.10117	21.9
135.11662	7.4
138.35568	5.0
141.27859	5.5
151.53668	5.8
159.11729	9.4
165.12784	7.1
173.13211	7.4
197.13988	32.7
220.16948	6.1
226.15688	6.1
228.89098	6.4
256.96454	13.4
274.97549	67.9
285.22098	11.8
292.98630	23.5
294.24112	6.6
303.23279	57.9
321.24197	90.7
339.12387	7.0
339.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2533
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
50.04871	2.2
55.05522	19.0
55.30026	2.7
57.03442	2.6
57.07076	6.0
67.05514	27.4
69.03442	3.6
69.07056	16.3
69.07388	2.6
71.04998	5.4
79.05489	15.1
81.03412	11.1
81.07060	36.1
83.04993	5.5
83.08628	6.4
85.02908	3.6
85.06528	4.2
85.10183	38.4
90.22194	2.6
91.05463	24.0
93.07046	19.1
95.04999	11.8
95.08616	23.1
97.06547	10.9
98.97591	13.7
99.04486	3.7
105.07037	18.9
106.57393	2.7
107.08615	24.0
109.06530	11.5
109.10165	51.0
111.08099	4.0
113.09637	27.1
119.08574	45.9
121.10152	12.0
123.11699	5.7
131.08588	16.7
133.10132	51.5
135.08043	4.0
145.10120	3.9
147.11743	5.7
151.11168	13.5
157.10136	29.2
165.12744	43.5
169.12263	22.0
171.11646	4.5
173.13252	29.8
175.11182	23.5
191.14337	18.3
201.12752	3.7
205.15933	14.6
219.17421	26.7
223.08522	2.6
256.96420	5.9
274.97516	22.3
283.16901	2.9
285.22137	32.3
292.98651	6.5
303.23218	74.0
307.22720	18.1
321.24286	100.0
327.12378	2.7
339.18808	3.4
339.24841	20.2
339.28979	3.1
346.55530	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	339.2534
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
56.25642	2.6
56.88842	3.3
57.03435	4.1
58.77166	3.2
62.99652	2.9
67.05504	22.0
69.07063	4.2
69.79046	3.1
71.05003	16.7
71.08637	34.5
77.64935	4.4
78.54500	3.5
79.05495	7.3
81.07057	31.3
83.04987	6.2
91.05495	31.6
93.07056	19.3
95.04989	7.5
95.08608	16.7
97.06519	14.8
98.97598	20.7
99.08112	26.8
105.07034	23.9
106.07373	5.8
107.08601	8.8
109.10169	16.4
111.08096	5.4
116.98600	16.6
117.07022	7.3
119.08584	68.3
121.10136	9.3
123.08070	15.1
127.11213	7.4
129.06996	9.2
131.08583	15.1
133.10130	17.9
135.08087	5.5
135.11710	8.5
137.09642	5.0
141.12759	100.0
143.08557	5.5
145.10124	7.1
147.11694	4.3
151.11215	7.4
157.10103	4.2
159.11664	14.2
161.09677	4.9
169.10222	4.9
169.12225	22.3
171.11681	44.4
173.13356	5.3
185.13287	5.0
187.14957	4.6
189.12723	20.5
201.16348	4.5
207.13826	7.7
219.17436	8.3
247.02428	5.5
256.96402	8.2
267.21063	15.6
274.97482	45.9
285.22000	35.4
292.98599	9.2
303.23145	56.0
321.24365	8.8
339.24527	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	339.2532
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
55.01889	3.3
55.05523	14.4
57.03437	1.2
57.07080	1.6
62.38545	0.8
64.62042	0.9
67.05512	10.9
68.81869	0.7
69.03416	1.4
69.07076	20.6
70.80431	0.7
71.04998	1.4
71.08646	9.9
73.78958	0.7
79.05508	11.2
81.03432	8.2
81.07064	18.7
83.04996	7.6
83.08626	12.8
85.06562	1.2
91.05481	5.9
93.07042	15.0
95.04969	13.5
95.08613	14.2
97.06542	12.3
97.10163	0.8
98.97610	1.7
99.08091	7.8
105.07034	6.3
107.04970	1.4
107.08610	14.8
109.06506	1.7
109.10173	7.3
111.04465	6.5
111.08071	4.0
111.11701	0.9
115.67735	0.8
117.07056	3.2
119.08599	5.2
121.06519	2.0
121.10161	8.0
123.11703	1.5
125.09653	1.6
129.06958	0.8
131.08551	5.6
133.10138	6.5
135.08049	3.5
135.11696	21.5
137.09618	4.0
139.11162	0.9
145.10121	3.5
147.11731	3.2
149.13225	1.4
151.11215	1.0
153.12758	6.8
157.10106	1.1
163.11179	1.3
163.14836	0.9
165.12787	1.7
171.32996	0.8
173.13246	1.4
175.14938	1.2
181.15878	1.4
183.13718	0.9
185.13298	1.3
195.13855	4.3
197.13774	0.8
217.14349	9.2
221.15446	5.4
237.14601	1.1
239.16431	3.5
251.16418	2.0
253.38551	0.9
255.15903	4.2
266.97235	1.0
274.97437	2.0
275.23822	0.9
303.23193	10.6
321.24243	100.0
324.65860	0.9
339.25351	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	339.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06621	0.3
60.08175	1.6
66.93777	0.2
68.66041	0.2
104.03553	0.2
104.10756	100.0
121.73260	0.2
133.20750	0.2
135.74626	0.2
136.90128	0.2
147.04210	0.2
149.90462	0.3
339.24829	1.9
364.20905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.4
55.56459	0.4
57.75147	0.4
60.04526	0.8
60.05880	0.4
65.92799	0.5
67.05501	0.6
69.07074	1.6
70.06608	0.5
71.86480	0.4
72.04526	3.2
72.08157	6.0
79.05507	0.5
81.07057	0.6
84.05635	6.7
93.07013	1.1
95.08593	2.0
96.05596	2.1
98.41350	0.4
101.75244	0.4
105.07030	0.7
106.07375	0.5
110.86784	0.4
113.10731	2.0
114.09174	28.4
115.08717	0.6
121.10104	1.8
125.05963	0.6
131.08653	0.4
131.11780	0.7
131.81979	0.5
137.05978	0.5
138.10280	0.6
143.11801	0.5
149.09589	1.8
150.09126	1.8
150.81273	0.4
156.11389	0.6
173.14052	0.6
178.12294	1.8
180.14983	6.0
189.05379	0.5
197.13983	26.2
220.16957	8.8
226.15483	2.9
235.11575	1.6
237.19637	2.3
279.20590	0.6
280.20221	1.0
293.23419	3.4
339.23920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12833	0.5
60.04517	0.7
60.16885	0.6
60.18959	0.7
70.06605	8.2
72.04511	2.7
72.08157	6.9
78.03083	0.7
79.05481	0.8
79.47301	0.7
81.07063	1.3
82.04230	0.7
84.05613	5.4
84.08133	0.9
85.02896	3.4
87.20175	0.7
91.05480	1.6
91.24238	0.7
93.07004	1.0
105.27831	0.9
112.07604	2.9
113.10757	1.4
114.08376	1.3
114.09174	39.0
119.25180	0.7
124.08742	1.4
126.06651	1.0
128.10760	0.9
128.23668	0.7
128.24835	0.7
131.08574	0.9
131.11774	2.9
137.05849	0.7
143.11810	1.5
148.11136	6.7
156.11250	1.6
158.73636	0.7
167.10712	1.3
173.13956	3.0
176.11871	1.1
177.05453	1.6
178.05852	1.0
197.13972	10.2
202.15894	4.6
210.15981	0.9
226.15448	1.7
228.11107	0.8
235.01648	0.8
237.17130	20.5
239.15063	6.5
240.67268	0.7
253.71881	0.9
261.16953	1.4
261.19623	34.0
279.20703	3.3
289.20285	3.9
296.23276	1.0
307.21295	6.1
321.22852	12.3
322.21140	1.7
339.20291	5.2
339.23911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02031	0.1
55.05499	0.2
59.04998	0.2
60.04540	0.2
67.05493	0.2
69.07049	0.6
70.06586	0.3
72.04512	1.7
72.08166	2.6
79.47709	0.2
81.07037	0.3
84.05125	0.3
84.05630	6.9
89.06042	0.1
93.07041	0.6
97.77779	0.1
99.04460	0.2
100.27611	0.2
105.07010	0.7
107.08577	0.2
111.04430	0.3
113.10731	0.7
114.09169	22.5
115.08644	0.5
121.10131	0.8
131.04932	0.9
131.11761	0.2
133.06476	0.3
137.05980	3.3
138.10274	2.2
149.09618	2.3
150.09129	0.2
151.03885	0.4
156.11298	0.8
161.06039	0.5
163.07570	0.2
178.12277	0.3
189.05574	1.3
189.06973	0.2
197.13977	33.9
198.12390	0.2
209.12735	0.2
214.06149	0.2
215.07034	0.3
220.16968	3.2
225.16977	0.2
226.15497	3.6
229.76283	0.1
235.11636	0.3
237.19585	0.4
278.18451	0.3
280.20251	2.2
297.22623	0.8
307.09698	0.2
321.22955	0.3
322.21368	0.3
329.01895	0.2
339.12988	1.6
339.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42878	0.2
58.63749	0.2
67.60754	0.2
72.04513	1.7
72.08156	3.3
77.27339	0.2
81.43764	0.2
84.05635	10.3
94.02605	0.2
114.09170	22.8
138.10239	2.5
138.52122	0.2
149.50238	0.2
197.13980	42.4
211.85202	0.2
220.17000	0.4
226.15446	4.3
265.41983	0.3
278.18640	0.5
280.20151	2.0
297.22925	0.3
321.22974	0.5
339.23917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73654	0.5
52.53600	0.5
61.16718	0.5
69.97379	0.5
71.31065	0.5
72.04509	1.4
72.08167	5.5
81.07049	2.9
93.07021	0.8
98.97519	0.6
105.06986	0.7
106.07344	0.8
109.06481	1.0
113.10755	1.5
114.09171	23.2
115.08694	1.0
119.08615	0.7
121.10142	1.2
125.05978	1.5
131.11797	3.2
149.09616	5.2
156.11359	1.4
163.12268	0.8
167.10640	5.1
173.13956	0.9
178.12257	5.2
197.13995	1.1
201.75917	0.6
219.18549	2.5
220.16965	60.1
226.15504	0.9
235.11552	2.5
237.19662	11.4
262.19168	3.2
263.17447	0.8
276.20679	8.9
279.20670	3.7
280.20248	0.9
297.21793	10.2
339.23911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	0.8
70.06572	2.7
71.98069	0.6
72.04513	3.0
72.08176	7.2
73.41965	0.6
81.35111	0.6
84.05627	0.7
85.12170	0.6
90.74954	0.6
105.07047	1.1
107.10948	0.7
107.11678	0.7
109.50555	0.6
112.07603	1.5
113.10812	1.4
114.09179	31.6
115.08685	0.8
122.57534	0.6
131.11873	0.9
144.08061	0.9
149.09529	1.2
156.11363	2.9
156.13823	1.4
166.09689	0.7
166.12311	1.2
170.09677	1.4
173.13937	1.5
184.13351	0.9
197.13982	0.8
208.14252	1.1
209.51706	0.6
225.13423	3.6
226.15503	3.8
251.21173	2.7
253.16451	0.8
269.22247	1.2
280.20239	6.7
321.22855	7.1
339.15060	2.6
339.23911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.8
60.04522	1.1
62.80699	0.5
63.15106	0.5
67.75237	0.6
69.07058	1.0
72.04511	6.2
72.08158	10.8
84.05631	1.3
96.05620	2.4
98.07163	3.5
107.08608	1.4
109.48828	0.6
114.09169	43.0
119.52519	0.6
125.09603	0.7
140.08211	0.9
148.11252	1.2
152.08160	2.3
160.74326	0.5
162.10295	0.7
166.12285	2.5
167.12819	0.8
169.67270	0.6
180.15019	2.7
190.13382	16.5
197.13959	9.8
197.84840	0.6
208.14456	11.3
211.15607	0.7
223.15596	2.2
234.19911	0.6
235.15610	2.3
251.15089	1.1
253.16704	3.4
261.17041	0.7
262.19122	0.7
265.16623	2.9
275.18713	1.5
293.23370	4.6
303.21774	14.1
321.22852	100.0
339.23914	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	339.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78603	0.6
55.46141	0.6
60.04539	0.7
60.05663	8.9
70.06606	16.1
72.04519	1.8
72.05611	0.8
72.08141	4.9
81.07051	0.9
84.05637	10.0
84.08136	1.2
92.18346	1.0
93.07050	0.9
94.06570	1.0
112.07641	6.0
114.09175	34.5
143.11745	2.9
174.45808	0.7
197.13989	100.0
210.16046	3.1
228.17102	11.3
293.23343	3.9
300.47363	0.8
321.22867	52.9
339.23944	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58041	0.4
70.06584	1.8
72.04520	2.3
72.08141	3.0
84.05635	8.1
84.08139	0.8
87.23828	0.5
98.07166	0.8
98.65839	0.4
99.07967	0.8
112.07597	0.8
113.09461	0.5
114.09168	36.4
138.10298	0.5
141.96707	0.5
143.11740	1.9
197.13982	76.6
223.15521	2.4
228.17087	0.6
234.49512	0.5
239.15022	1.0
242.53191	0.4
280.20135	0.9
293.23352	3.5
300.76019	0.5
321.19138	0.8
321.22830	18.6
339.23923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75845	0.7
54.06670	0.8
54.09207	0.7
69.07048	5.0
70.38084	0.8
72.04501	1.7
72.08167	6.8
81.07063	1.0
93.07021	1.2
94.71312	0.9
109.06496	1.3
113.10770	9.2
114.09173	34.1
114.10265	1.7
115.08718	3.2
121.10137	4.0
131.11787	5.3
138.12822	1.6
149.09636	8.7
150.09131	1.9
156.11317	5.6
167.10677	3.8
168.13817	1.7
173.13971	2.4
178.12282	8.0
198.12318	1.2
200.11909	1.0
220.16968	30.6
226.15404	1.4
237.19641	9.8
268.54959	1.0
279.20575	6.1
281.18710	0.9
339.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06826	0.7
57.07083	11.6
91.05451	1.1
95.08615	0.7
97.06521	1.0
98.97578	3.1
105.07034	4.6
107.08588	1.1
114.99946	0.5
116.98582	1.0
119.08585	10.0
119.46471	0.5
121.06494	2.2
121.10142	25.8
131.08534	0.5
133.06490	2.3
133.10130	14.8
145.10138	0.6
147.08034	1.2
147.11696	28.6
151.11237	0.6
157.10132	1.0
160.08899	0.6
163.11180	2.1
164.38292	0.5
175.11183	26.4
177.12691	0.9
256.96524	0.8
274.97360	4.7
283.16922	100.0
292.98532	3.0
339.23184	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	13.2
72.48242	1.7
81.07055	2.6
90.90027	2.0
95.08602	3.0
97.06483	2.5
98.97574	8.7
100.44021	2.2
105.07018	3.8
119.08587	13.4
121.10156	25.8
133.10121	12.0
142.71782	1.9
147.11690	35.6
175.11172	26.5
175.86932	2.1
256.96512	2.5
274.97391	14.9
283.16934	100.0
292.98557	4.1
339.23166	54.3
339.29044	3.8
351.87451	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	339.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.8
58.37064	0.6
60.05655	1.1
62.64769	0.6
69.03454	1.1
70.06577	4.8
72.08160	37.9
78.11337	0.7
84.08137	3.1
85.02909	4.7
89.03888	0.9
89.10791	1.0
97.02903	1.1
97.06509	0.7
97.07654	1.4
98.06078	5.0
102.02935	0.7
110.07133	1.1
113.10728	5.4
114.09172	13.5
114.10291	18.9
115.08717	5.3
117.03367	1.2
120.08095	1.0
122.06037	0.8
123.04406	1.1
128.10724	7.2
128.11844	11.1
129.10210	5.8
131.04893	0.7
131.11842	2.5
131.12874	0.9
136.06161	7.0
137.05992	1.5
139.03938	0.9
141.01794	3.3
144.10362	0.7
145.02852	23.0
145.13379	3.4
149.05943	0.8
152.07059	3.1
153.05478	42.1
156.11389	1.0
157.10851	15.5
163.03920	5.7
164.07001	1.0
167.03412	4.6
167.07083	1.1
169.90118	0.9
175.07536	0.9
177.05469	92.0
179.07117	0.8
182.08112	0.7
195.06517	4.3
203.03358	0.9
209.04454	4.1
223.43706	0.8
227.05444	1.4
247.07660	0.8
247.14578	0.9
248.09232	0.9
248.12717	1.0
265.15469	7.4
266.13882	30.4
272.46576	0.7
279.13370	4.0
279.61520	0.7
280.11810	8.1
283.16434	1.3
287.68463	0.7
289.15649	1.0
298.09756	1.2
307.16513	26.0
308.16064	3.1
321.14667	1.8
321.18140	9.0
322.17746	2.5
339.16492	21.2
339.20276	100.0
339.23776	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61756	0.3
54.60209	0.4
61.01150	2.3
70.06571	0.5
72.08158	9.7
75.02699	0.7
76.29900	0.3
84.08145	0.4
89.03923	0.8
97.02871	0.4
98.06051	0.6
113.10759	4.8
114.09166	4.6
114.10278	0.7
117.03356	2.4
128.10725	10.3
131.11795	4.2
136.06189	59.1
145.02850	32.1
145.13379	3.3
149.05988	0.8
153.05510	0.5
157.10814	3.3
162.03464	0.4
163.04002	1.6
171.11313	0.5
177.05467	100.0
248.12978	1.4
289.15469	1.9
298.09659	18.6
307.16513	44.3
321.18109	13.6
339.20178	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	339.1445
Annotation	Terricollene B
Peak:m/z	Relative Intensity
55.01882	1.1
55.05502	0.9
67.05510	1.4
69.07070	4.3
70.74727	0.7
71.05001	1.1
73.02908	0.7
79.05499	4.2
81.07077	5.7
86.00258	0.7
87.00841	2.9
91.05486	9.0
93.07054	7.0
95.04965	0.8
95.08610	3.4
97.06556	0.7
105.07041	30.8
107.04958	1.7
107.08615	5.2
109.06539	4.1
109.10199	1.9
114.09180	0.8
117.07040	3.1
119.08591	11.9
121.06524	4.6
121.10136	4.9
123.08076	6.0
129.06995	1.5
131.08583	11.5
133.06514	15.2
133.10162	4.5
135.08067	6.6
135.11700	1.3
137.06053	1.2
139.07576	1.4
143.08568	3.2
145.05095	0.9
145.10114	8.2
147.08061	9.9
147.11697	8.3
149.09674	1.9
151.07544	9.9
157.10144	4.1
159.08052	4.1
161.05966	4.4
161.09688	1.0
161.13232	3.0
163.11214	3.2
165.09134	3.9
167.07068	1.6
171.11681	8.5
175.07497	1.3
175.11247	3.7
177.09180	1.9
179.07074	6.3
189.12737	9.6
193.08646	4.9
197.08109	5.7
199.11192	1.8
207.13815	44.1
211.09671	1.7
217.12236	3.9
235.11455	0.8
235.13397	9.5
253.14386	9.5
295.15485	4.0
321.13437	3.9
339.14453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1442
Annotation	Terricollene B
Peak:m/z	Relative Intensity
52.34925	0.3
55.05506	0.4
55.24688	0.4
60.98956	0.5
67.05503	1.0
69.07056	2.2
71.04991	0.7
74.83682	0.4
79.05513	4.4
81.07065	3.2
83.04980	0.8
85.02918	1.7
87.00811	2.1
91.05484	6.1
92.18523	0.4
93.07051	6.7
95.04992	0.9
95.08594	2.1
103.59733	0.5
105.07045	27.6
107.04960	1.7
107.08598	4.4
109.06524	2.3
109.10165	0.6
117.06995	3.1
119.04970	0.6
119.08595	7.0
121.06506	3.6
121.10110	2.0
123.08080	7.1
123.53933	0.5
129.07027	1.9
131.08580	8.2
133.06497	14.8
133.10121	2.8
135.08044	4.2
135.11716	1.1
137.05989	0.9
137.09570	0.6
139.07539	2.1
141.01845	0.8
142.07841	0.5
143.08607	3.7
145.10126	6.8
147.08057	8.6
147.11700	6.7
149.05983	0.6
149.09616	0.9
151.07552	8.7
157.06487	0.7
157.10144	2.5
159.08047	3.3
159.11703	0.6
161.05952	4.3
161.09547	0.6
161.13258	2.8
163.11215	3.5
164.12027	0.8
165.09151	3.8
167.07059	1.0
171.11687	8.5
175.07579	1.7
175.11185	2.7
177.09064	2.1
177.12747	2.2
179.07042	4.6
181.10228	0.5
185.08057	0.7
189.12752	8.0
193.08623	4.4
197.08119	4.7
199.11278	2.6
207.13812	41.3
211.09627	1.8
217.12277	4.1
235.13326	8.1
253.14352	7.9
295.15494	5.0
315.62799	0.5
321.13260	3.5
339.14410	100.0
348.65247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75771	1.1
55.01883	5.1
55.05513	10.0
55.92805	1.2
57.03419	2.4
57.07110	1.1
61.49597	1.1
64.46067	1.0
67.05181	2.2
67.05513	39.5
69.03438	100.0
69.07059	7.4
71.04984	1.3
79.05489	11.3
81.03416	12.6
81.07063	17.2
83.04984	6.2
83.08597	5.6
85.02900	10.8
85.06541	1.6
87.00810	2.6
91.05486	10.9
93.07050	17.1
95.04971	7.5
95.08624	12.2
97.02889	3.0
97.06523	2.7
99.04450	2.3
105.07024	10.5
107.04966	8.2
107.08602	15.5
109.02866	2.2
109.06516	2.7
109.10149	26.1
111.04427	3.2
111.08089	25.0
113.06023	1.6
117.07015	2.6
119.08562	10.0
121.06506	3.0
121.10133	8.7
123.04443	3.0
123.08067	3.1
125.05935	1.4
125.09634	1.3
127.03982	2.3
129.01871	2.2
129.07013	3.0
130.82925	1.3
131.08540	11.0
133.06508	2.8
133.10124	5.9
135.08081	2.5
137.06003	7.3
137.09628	11.2
141.06987	1.3
143.08606	3.1
145.10152	7.0
147.08044	5.1
147.11742	2.1
149.09628	13.4
151.07555	1.6
157.10217	1.7
159.02977	1.5
159.08047	5.3
161.09607	2.5
163.11122	1.6
167.10693	4.9
171.11746	2.6
175.11201	2.0
176.30238	1.4
177.05434	1.3
179.10587	1.9
181.10115	2.0
189.12761	2.0
191.10686	1.6
193.12343	1.8
199.11160	6.9
212.80661	1.5
217.12276	16.4
235.13295	20.8
277.95621	1.5
295.15591	2.0
321.13354	41.8
339.14447	23.9
339.18192	2.8
348.62076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73611	1.3
55.01872	4.0
55.05515	7.0
57.03437	2.6
67.05508	29.5
69.03436	100.0
69.07076	6.0
71.05013	11.9
72.08187	2.0
79.05508	18.7
80.80993	1.5
81.03426	15.0
81.07076	15.6
83.04988	7.5
83.08627	8.6
85.02914	16.5
85.06537	3.1
85.07749	1.7
86.07768	1.5
87.00821	10.3
91.05479	18.6
93.07030	23.2
94.36668	1.4
95.04975	7.4
95.08609	13.0
97.02887	10.1
97.03470	1.5
97.06535	13.8
99.04449	2.1
105.07036	21.0
107.04937	14.2
107.08598	19.4
109.02863	2.3
109.06551	3.9
109.10168	15.5
111.04438	7.6
111.08111	12.0
113.06030	6.9
117.07051	7.4
119.08611	15.2
121.06516	8.5
121.10129	19.7
123.04433	2.4
123.08073	9.4
125.09618	2.1
127.03904	2.2
129.07005	7.6
131.08565	15.5
133.06512	6.0
133.10112	12.2
135.08051	7.0
136.06186	3.5
137.05940	6.3
137.09604	22.8
139.05003	2.0
139.11116	3.0
141.06990	1.8
143.08540	9.5
145.10121	15.1
147.08044	7.2
147.11679	3.6
149.09605	26.1
151.07578	4.0
151.11223	6.7
157.06422	1.7
157.10182	2.8
159.02917	2.6
159.08096	2.4
161.09615	10.3
163.11200	10.7
165.09091	3.1
165.12836	1.9
167.10733	3.4
171.07986	2.8
171.11571	9.9
173.09590	3.0
175.07570	3.2
175.11198	8.6
177.09172	2.2
179.10732	3.5
189.12759	7.5
191.10724	6.3
199.11188	7.3
205.12437	1.6
217.12248	29.9
223.07568	1.6
235.13280	32.9
251.06967	34.1
253.14313	3.0
254.76068	1.6
255.06638	6.2
295.15314	3.6
303.12103	2.1
321.13385	45.7
339.08246	2.8
339.14529	37.3
339.18066	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1232
Annotation	2-formylporphine
Peak:m/z	Relative Intensity
65.79086	1.1
67.46643	1.0
70.06593	1.8
72.04513	1.8
72.08141	2.0
84.05625	5.0
98.51547	1.3
103.05491	1.5
105.06983	1.1
114.09175	24.7
120.92866	1.2
131.04913	12.6
133.06522	1.7
137.05988	100.0
143.11823	1.2
151.03912	36.0
155.04890	6.2
161.05981	2.3
163.07532	8.1
183.04424	4.6
187.07539	8.8
189.05499	15.8
197.13983	37.0
200.04640	8.1
207.06627	1.4
215.07056	23.5
229.06445	2.8
246.06818	2.5
247.07576	2.4
257.06027	5.8
261.09128	9.5
263.07266	1.7
269.17276	1.4
274.06320	2.7
278.09509	5.1
279.10312	1.9
289.08578	16.5
291.06589	2.4
306.08865	9.8
307.09677	4.9
321.11191	48.1
321.22836	15.6
339.12241	40.5
339.16019	2.3
339.23898	51.8
339.27878	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	339.1228
Annotation	CHEBI:67529
Peak:m/z	Relative Intensity
51.32259	0.7
53.03965	0.7
54.62125	0.9
79.05494	1.2
85.02902	1.5
93.03382	1.0
98.97600	1.0
105.07034	1.3
107.04935	4.7
110.03661	1.2
111.04466	1.2
116.98607	1.1
118.03967	0.8
119.04926	1.0
125.05993	2.1
131.08595	1.3
137.05992	1.4
145.06477	1.0
153.05452	4.9
159.08008	6.8
165.06958	1.0
185.06012	1.5
186.06755	5.6
189.07063	0.9
189.72505	0.9
191.08539	4.1
193.06458	1.0
203.08664	1.0
208.08813	1.5
214.06276	6.1
218.07240	4.7
219.08037	10.6
220.08836	6.5
221.06160	1.9
221.09569	1.9
223.11142	1.7
229.08583	16.7
233.09665	1.5
234.06653	1.2
235.07445	8.5
236.06035	2.1
236.08211	12.5
237.09048	0.9
245.06438	2.2
246.06813	2.1
246.45934	1.0
247.07549	9.0
248.08473	1.3
249.09019	4.0
250.09901	1.6
251.10661	27.6
253.08485	1.1
259.07996	1.1
261.09140	5.9
263.07162	1.7
264.07809	26.3
265.08627	5.6
274.08585	2.3
274.97449	1.0
275.06897	1.5
277.08719	3.2
278.09357	8.7
279.10245	11.4
280.11026	3.8
281.08118	11.1
283.09024	6.2
292.07220	4.2
292.98419	1.4
293.08115	2.1
296.10367	1.7
306.08926	1.0
307.09671	31.4
308.10443	9.5
309.07568	0.9
311.12766	41.6
324.09839	5.7
339.12274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	Terphenyllin
Peak:m/z	Relative Intensity
50.09938	1.8
51.11194	1.6
51.79268	1.5
56.23168	1.7
70.75198	1.8
74.24255	2.2
85.02914	4.3
98.97622	3.2
105.07047	4.9
106.07391	3.1
107.04943	3.9
108.70789	2.3
109.10167	2.9
112.53560	2.2
125.05971	3.3
137.05951	4.2
152.47171	2.2
153.05505	3.0
159.08073	4.1
161.34200	2.1
170.09634	9.0
171.10091	2.5
186.06641	2.0
191.08517	3.4
214.06281	3.3
219.08092	12.8
220.08826	5.1
229.08569	9.6
235.07484	4.2
235.11578	4.3
236.08334	11.8
242.56361	2.7
245.06448	5.0
247.07562	11.6
248.08372	4.6
249.09152	4.4
251.10706	25.6
263.07199	4.2
264.07745	27.2
265.08612	9.4
268.08539	3.6
274.97519	4.0
277.08493	3.9
278.09378	9.2
279.10117	17.9
281.08081	9.8
283.09030	4.2
292.98599	2.2
293.07819	2.9
296.10422	4.7
307.09662	29.2
308.10434	4.0
311.12756	34.4
324.09888	3.9
339.12183	100.0
339.23859	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	339.1226
Annotation	CHEBI:67529
Peak:m/z	Relative Intensity
55.01867	1.3
58.82964	0.9
60.94416	0.8
65.03928	0.9
69.07021	1.2
71.30093	1.0
79.05479	1.2
85.02879	4.1
91.05447	1.4
93.07026	1.5
95.04977	1.1
96.20571	1.1
98.76913	0.9
103.67403	1.2
105.06984	4.5
106.07322	1.1
107.04903	2.3
107.08614	1.5
109.10197	1.5
118.67238	1.0
133.06506	1.6
133.10040	1.5
137.05957	2.3
145.10158	1.3
153.05453	1.4
155.69176	1.1
159.08083	7.9
185.05960	1.3
186.06715	6.0
190.07751	1.3
191.08563	4.4
207.07982	1.1
207.13731	1.4
208.08716	1.8
213.41855	1.3
214.06172	6.1
217.12227	1.1
218.07263	2.2
219.08057	10.7
220.08824	10.1
221.09570	1.6
229.08604	16.5
234.06657	1.1
235.07478	4.6
235.11633	1.2
236.08322	15.5
237.08807	1.4
246.06654	1.7
247.07532	10.3
248.08199	4.7
249.05356	1.3
249.09048	1.4
251.10675	26.5
261.09000	5.5
263.06924	6.1
264.07852	26.0
265.08517	6.8
274.97421	1.5
275.07043	1.9
277.08441	4.8
278.09271	7.1
279.10144	16.4
281.08105	7.6
292.07251	6.9
293.07971	4.6
296.10275	1.9
306.08911	2.1
307.09665	35.0
308.10287	8.5
311.12747	26.4
324.09763	4.1
339.12180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1226
Annotation	CHEBI:67529
Peak:m/z	Relative Intensity
50.73911	1.5
75.88422	1.7
84.38295	1.9
85.02910	2.2
92.17865	3.1
107.04939	2.6
133.10086	2.3
157.66873	2.0
159.08041	8.5
182.67860	1.8
185.05850	2.9
186.06776	3.2
191.08563	4.2
194.07330	2.1
208.08727	2.8
214.06197	7.8
218.07178	2.7
219.08049	15.9
220.08823	9.5
228.74701	2.1
229.08638	19.0
235.07523	3.5
236.08282	12.2
236.71741	2.0
247.07556	15.8
251.10600	28.7
261.09036	9.1
263.06982	2.5
264.07800	30.9
265.08545	8.4
274.97189	4.3
277.08597	3.1
278.05408	1.8
278.09351	9.8
279.10284	16.5
280.10849	1.9
281.08078	7.8
292.07187	4.8
293.07806	2.9
296.10431	2.8
307.09586	37.0
308.10492	3.9
311.12720	28.4
324.09854	8.1
339.12207	100.0
345.31659	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	339.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44910	1.9
52.08943	1.7
66.06669	1.7
70.06580	7.9
72.08147	12.0
84.08135	4.2
85.02907	2.9
86.09674	2.2
95.06096	1.8
95.08617	2.9
110.06058	14.8
114.10263	3.3
136.07582	1.9
140.07037	2.5
141.09059	3.0
163.03929	7.5
177.05504	7.4
201.01599	4.3
284.01047	2.1
295.16840	2.7
339.04785	100.0
339.16226	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	338.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.0
69.03413	2.0
70.06604	3.7
70.95234	0.4
72.04498	3.0
72.08165	4.9
84.08150	14.6
91.05473	0.7
93.07013	2.3
94.14994	0.4
94.78733	0.4
95.04932	2.2
95.08582	1.9
98.06017	0.7
102.08512	0.4
105.07028	0.6
109.10147	0.7
111.08044	0.9
112.07595	0.9
112.39114	0.5
114.09176	24.9
115.08714	4.3
115.09381	0.8
119.08540	2.9
121.10122	1.8
123.08046	1.0
125.10694	0.6
127.08683	3.8
128.76103	0.5
131.11803	0.6
133.95279	0.5
137.09586	2.3
137.11960	0.7
143.10698	0.7
143.11800	14.8
147.08083	6.0
157.09726	7.0
164.10609	0.5
165.09041	2.2
176.10692	0.8
178.46356	0.4
195.86057	0.5
196.15689	0.5
197.13936	1.1
198.14203	2.2
218.15344	2.7
225.12192	0.9
234.14812	0.5
236.16277	1.7
238.48883	0.5
261.15903	0.8
262.14334	0.8
279.17041	5.0
295.20032	2.9
320.21481	0.7
338.20645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80962	0.6
62.93772	0.6
67.05504	0.9
69.03429	1.6
70.06593	4.4
72.04509	2.6
72.08153	8.1
73.29136	0.6
73.91700	0.6
82.06550	0.8
84.08153	14.2
95.04975	2.4
95.08609	1.4
109.06499	0.9
111.08080	0.6
113.99069	0.7
114.09174	25.3
114.10272	0.9
115.08703	5.4
119.08585	2.7
121.10133	1.3
123.08087	1.0
127.08667	4.1
131.11833	0.8
135.08113	0.8
137.09595	3.4
143.11810	12.5
147.08051	6.1
157.09761	6.0
163.03894	3.2
165.09082	1.2
175.03937	0.9
190.16115	0.8
207.06522	0.9
208.06918	1.1
218.15417	2.8
225.12433	1.0
225.31931	0.8
236.16481	1.6
261.15790	0.8
262.14313	0.9
279.16998	4.6
292.20190	0.8
295.20288	3.8
297.44858	0.7
317.68402	1.1
338.20743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46194	0.3
55.56461	0.3
58.14462	0.3
77.70752	0.3
79.05488	0.7
85.02911	6.0
98.70943	0.4
99.13060	0.4
103.05431	0.5
105.07046	100.0
122.09683	25.2
130.05008	3.8
131.03427	1.5
161.97812	0.4
173.31995	0.4
188.10774	2.3
206.09830	0.6
206.11768	14.8
206.13576	0.8
234.11270	81.6
252.12314	9.8
276.37680	0.4
320.11206	1.8
338.12354	5.2
346.86743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1234
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
55.01887	0.4
57.03448	0.6
60.73603	0.3
61.02940	1.5
61.81850	0.3
63.82924	0.3
69.03441	3.3
73.02917	0.6
81.03413	1.2
85.02912	17.6
97.02914	4.3
99.04469	0.8
103.03945	0.4
106.94329	0.4
109.02900	2.2
114.09170	0.7
127.03946	3.0
130.06534	100.0
144.08069	5.8
145.04961	0.8
147.23669	0.4
154.06459	0.4
158.06120	0.5
160.07596	0.4
170.05984	1.5
172.07581	16.8
172.09053	0.5
176.07071	69.3
186.09160	0.6
188.07077	2.7
190.08580	0.6
196.07553	0.5
197.13951	1.4
198.14281	1.8
210.09177	0.7
214.08661	0.4
218.08136	12.5
238.08661	0.8
260.09274	0.6
274.10669	2.2
274.61514	0.4
284.09216	0.6
292.11691	0.4
302.10342	3.4
320.11346	3.7
338.12274	0.6
338.22659	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	338.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95181	0.3
61.56158	0.5
72.09483	0.4
79.05495	0.5
85.02901	6.4
86.54663	0.4
86.57519	0.4
88.25267	0.4
103.05482	0.5
105.07040	100.0
122.09673	25.4
130.05002	3.0
131.03450	1.0
132.46982	0.4
188.10722	2.8
206.11783	16.1
234.11256	86.1
252.12286	10.2
293.59821	0.5
315.43414	0.5
320.11258	1.7
338.12308	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	338.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36064	0.3
70.74207	0.4
71.18724	0.4
79.05486	1.0
81.55479	0.4
85.02908	6.6
85.63493	0.4
92.18592	0.4
96.53823	0.5
102.05688	0.5
103.05441	0.5
105.07036	100.0
108.95977	0.5
120.93030	0.4
122.09663	23.4
130.04973	3.0
131.03426	1.5
188.10735	2.2
206.11757	15.0
234.11247	85.1
252.12267	9.7
260.32913	0.4
320.11298	1.9
338.12360	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	338.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39865	0.4
54.10076	0.4
55.94873	0.4
78.06553	0.4
78.55041	0.5
79.05504	0.6
85.02908	6.5
87.93452	0.4
95.42657	0.5
97.53043	0.7
103.05453	0.7
105.07039	100.0
122.09674	22.3
130.05019	2.1
131.03445	0.8
184.99046	0.5
188.10744	2.3
206.11760	14.7
206.13597	0.7
228.77545	0.5
234.11252	81.8
246.69720	0.4
252.12274	9.5
299.52209	0.4
307.97452	0.6
320.11453	2.4
338.12357	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	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
55.05512	13.2
57.03442	9.5
67.05492	34.9
69.07066	26.4
76.77209	5.7
79.05470	8.9
81.07046	57.0
83.08607	8.6
93.07008	6.8
95.08606	29.8
107.08611	5.9
109.10159	11.2
132.98489	7.0
337.19852	23.6
337.27536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.48908	2.0
51.94723	1.9
52.56142	1.7
54.96856	1.8
55.05506	12.8
57.03423	12.3
59.37042	1.8
63.23417	2.0
64.10524	1.8
67.05512	27.6
69.07074	24.2
71.08604	2.7
79.05481	8.5
81.07059	39.3
83.08613	9.3
90.67564	2.0
91.05462	4.0
93.07021	9.0
94.11362	1.9
95.08604	32.1
97.10146	2.7
105.07005	1.9
106.40816	1.9
107.08608	8.7
109.10162	17.6
109.10780	2.2
116.33820	2.2
121.10118	3.7
123.11697	2.3
133.10127	3.6
138.61566	1.9
147.11656	4.4
161.13278	2.9
162.55573	1.9
169.57855	2.2
220.36134	2.0
337.19595	3.9
337.23312	4.5
337.27350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05291	0.9
55.05518	13.7
57.03445	12.5
57.07059	1.2
57.88527	0.7
58.73647	0.8
65.02880	0.8
67.05187	1.5
67.05512	28.0
69.06714	0.8
69.07074	19.5
79.05492	4.6
81.06612	1.3
81.07063	31.2
83.04961	1.1
83.08632	11.0
85.06583	0.8
91.05470	5.2
93.07052	7.8
95.08610	25.8
97.10161	5.6
99.87025	0.8
105.07023	4.5
107.08567	2.0
109.10175	9.0
119.08590	3.1
121.10117	4.9
123.11688	3.4
133.10133	3.5
135.11688	1.0
146.00958	0.9
147.11699	1.5
162.92123	1.0
202.77701	0.9
263.02097	0.9
263.23730	1.1
292.37210	0.8
337.27359	100.0
350.36765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
55.05242	0.8
55.05516	13.5
57.03445	10.7
57.07066	1.4
67.05512	33.2
69.06708	0.7
69.07072	22.3
79.05494	8.7
81.06614	1.5
81.07065	34.7
81.07533	1.3
83.04990	1.4
83.08620	11.3
85.06568	1.1
91.05502	5.7
93.07047	9.4
95.08609	28.9
97.06513	2.8
97.10171	5.7
105.07002	4.5
107.08578	5.7
109.06490	0.8
109.10167	10.7
111.04478	0.8
111.08084	0.8
119.08547	3.8
121.10118	3.2
123.11698	3.7
126.28698	0.7
133.10097	4.1
133.89384	0.7
135.11688	1.5
137.13290	1.0
147.11656	0.8
161.23514	0.7
161.95392	0.7
167.01047	0.7
175.14850	0.7
269.68442	0.8
337.23566	9.4
337.27328	100.0
340.56226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2374
Annotation	Crassumolide E
Peak:m/z	Relative Intensity
54.14276	9.3
55.01874	13.3
56.76493	8.0
67.05511	38.8
67.39476	8.1
69.03428	7.8
69.07075	15.1
71.08627	36.4
79.05498	14.6
81.07052	40.6
83.05002	9.7
83.08627	16.3
91.05495	38.5
93.07042	35.3
95.04955	11.1
95.08615	40.2
95.91675	8.6
97.06490	9.0
99.08098	16.7
105.01958	9.6
105.07021	39.3
107.08575	18.2
111.04475	15.5
111.08042	11.5
117.07048	9.0
119.08567	40.9
130.60974	9.4
131.08571	14.8
133.10127	52.9
135.08055	11.6
139.83759	9.7
140.68314	10.8
143.08585	12.0
145.10139	13.7
147.11670	10.5
151.11169	13.3
157.10141	17.9
159.11693	12.1
161.09668	15.1
163.11111	8.9
171.11639	19.1
173.13301	15.5
175.11237	11.5
177.12721	10.0
179.10664	15.4
185.13300	18.4
189.12801	35.8
195.13776	14.4
203.14340	49.5
204.28259	9.0
217.12248	9.4
235.16992	17.2
265.96899	8.9
283.20627	16.6
301.21637	63.6
311.58978	9.6
319.22659	100.0
337.19888	40.0
337.23660	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
52.52620	4.0
55.05514	17.4
57.03436	5.8
67.05500	29.2
69.03436	5.9
69.07062	17.4
71.08639	8.5
79.05485	18.7
81.07069	31.3
83.04993	8.3
83.08630	11.2
91.05487	24.1
93.07032	27.6
95.04974	21.2
95.08607	33.8
99.08122	6.7
103.85364	4.2
105.07040	19.9
107.04946	7.0
107.08593	19.9
109.10130	5.9
111.04448	24.6
111.08077	7.3
119.08568	11.6
121.10120	7.9
124.04942	6.0
125.05981	5.6
129.40909	4.7
131.08746	5.6
133.10138	66.0
135.08119	7.6
135.11682	7.6
137.09595	8.7
138.75937	4.9
143.08626	9.6
149.09584	5.4
151.11157	8.1
157.10136	8.1
161.09616	38.6
163.11177	8.2
171.11664	19.9
175.11159	5.4
179.10666	30.2
185.13301	5.7
189.12762	8.8
195.13829	11.4
197.11758	8.7
203.14415	6.6
215.12822	5.7
216.20811	5.4
217.15932	9.7
221.15334	7.9
235.16956	11.7
247.31967	4.5
283.20462	9.9
301.21664	36.5
319.22653	100.0
337.20465	10.1
337.23721	41.6
337.27444	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2374
Annotation	hepoxilin B3
Peak:m/z	Relative Intensity
53.84766	0.6
55.05300	1.2
55.05522	17.5
57.03441	10.6
57.07054	3.3
67.05508	31.9
69.07072	23.4
71.04984	3.1
71.08616	5.3
77.21075	0.9
79.05503	6.7
81.06623	1.4
81.07063	35.2
82.06624	1.0
83.04942	1.2
83.08627	9.8
85.02891	1.8
85.06567	0.8
91.05476	9.0
93.07045	11.4
95.04951	1.3
95.08603	34.5
97.06507	3.8
97.10142	4.6
99.08075	4.6
105.07055	6.8
107.08583	7.6
109.06464	1.2
109.10152	13.3
111.04423	1.3
111.08090	1.5
119.08570	6.4
121.10143	7.8
123.11704	1.0
125.09717	0.8
127.11180	1.0
133.10109	5.2
135.11664	2.0
137.09619	4.9
137.13208	1.8
147.11690	3.3
149.13184	1.2
151.11147	3.9
155.10645	8.3
157.10135	1.0
157.29163	0.7
161.13237	1.5
171.11617	1.2
173.13338	1.0
177.12741	1.6
185.13214	1.6
192.32211	0.8
203.14291	1.1
263.23654	1.5
271.75024	0.8
283.20627	1.3
301.21405	3.7
319.22644	20.4
337.23480	9.4
337.27295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2364
Annotation	PGB1
Peak:m/z	Relative Intensity
51.46900	1.3
54.07730	1.5
55.01887	20.7
55.05523	25.1
55.37502	1.5
57.03433	10.2
67.05512	31.1
69.07075	23.3
71.08621	9.2
71.64020	1.6
77.64428	1.6
79.05510	13.3
81.03397	2.7
81.07071	28.7
83.04996	3.2
83.08630	40.0
91.05461	7.2
93.07057	22.3
95.04971	2.8
95.08598	26.1
95.23441	2.0
97.06516	6.9
97.10178	3.2
99.08099	4.1
105.07030	10.8
107.08595	10.1
109.10152	7.3
111.08113	11.9
112.67394	1.8
117.06979	3.6
119.08592	9.0
119.13314	1.9
121.06477	2.3
121.10148	12.7
123.11773	2.0
125.09627	21.1
129.07037	2.6
131.08559	8.7
133.06512	2.3
133.10138	10.8
135.11728	2.5
143.08580	1.8
147.11687	7.8
149.09631	3.8
149.13232	2.0
151.11136	3.1
155.10744	1.8
157.08627	3.2
161.09576	2.8
163.11200	2.2
163.14847	3.7
171.11711	2.5
175.09683	14.9
175.11102	5.1
177.12730	3.9
189.09120	3.2
189.12810	3.0
221.54401	1.9
273.22122	2.7
283.20438	2.6
296.25687	2.2
301.21652	30.8
319.22644	17.1
332.67960	1.8
335.04080	1.9
337.23489	100.0
337.27441	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	(-)-Stolondiol
Peak:m/z	Relative Intensity
50.75679	2.1
51.73691	1.5
54.16641	2.0
55.01881	10.3
55.05528	22.1
57.03432	4.3
67.05515	30.3
69.03430	11.0
69.07072	14.6
71.04986	2.6
71.08640	35.5
75.00097	2.5
79.05515	21.9
81.03419	9.4
81.07068	37.7
83.05003	15.3
83.08633	19.9
85.02905	3.2
85.06536	9.4
91.05495	34.5
93.06644	1.9
93.07063	32.2
93.52847	2.5
95.04971	26.8
95.05851	2.1
95.08614	20.5
97.06520	4.6
97.10196	2.4
99.04485	4.2
99.08103	29.5
105.07041	32.3
107.04977	12.2
107.08611	26.4
109.06513	5.6
109.10144	11.8
111.04452	22.9
111.08067	10.9
113.05975	2.5
117.07036	16.8
119.08598	37.1
121.06502	3.5
121.10096	16.1
123.08008	8.5
123.11754	2.6
125.09669	3.7
129.07013	14.1
131.08597	18.7
133.06546	4.0
133.10141	51.8
135.08034	16.9
135.11690	9.4
137.06023	2.8
137.09618	5.3
139.11215	4.7
143.08575	13.3
145.10123	13.2
147.08099	5.2
147.11667	16.8
149.09628	4.4
151.07547	3.8
151.11209	20.3
155.08553	4.0
157.10100	19.6
159.11681	11.9
161.09604	22.4
161.13252	4.4
163.11211	13.6
165.12767	12.4
167.10707	3.2
167.84897	2.0
169.10100	2.9
171.11696	31.9
173.13248	10.7
175.11224	13.3
175.14789	3.7
177.12770	3.1
179.10701	26.5
181.10052	2.9
183.11726	2.4
185.13243	27.0
189.12694	20.4
191.14380	4.4
193.12244	3.0
195.11728	2.8
195.13832	15.3
197.11720	3.7
199.11157	9.3
199.14919	3.7
201.12682	7.9
203.14313	29.0
207.13832	10.0
215.12796	3.3
217.12332	3.1
217.15894	17.3
221.15399	11.7
235.16855	22.4
255.21129	2.8
283.20538	18.1
301.21616	52.8
319.22708	100.0
337.17444	25.5
337.23688	56.0
337.27371	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	337.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05526	10.5
57.03444	5.8
57.07076	1.0
67.05179	0.9
67.05518	17.6
69.07072	13.3
75.01586	0.5
79.05492	5.0
81.07070	22.1
83.08636	5.9
84.01904	0.5
91.05498	3.1
92.17887	1.0
93.07055	5.5
95.08619	16.0
97.06522	1.3
97.10172	3.4
105.07044	2.9
107.08595	2.3
109.10166	7.5
111.04434	0.9
119.08590	3.2
121.10120	3.1
123.11716	1.3
133.10130	2.8
135.11752	0.7
137.13359	0.7
141.04739	0.6
146.85953	0.6
147.11705	1.2
162.49260	0.6
163.74326	0.6
319.22607	0.9
337.23471	100.0
337.27426	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72922	0.6
58.63375	0.8
60.04521	1.1
70.06604	4.9
72.04523	7.6
72.08164	11.6
84.05602	0.9
88.62272	0.7
96.05640	1.2
106.54844	0.7
109.28142	0.8
112.07610	2.7
114.09173	70.3
124.05108	1.2
134.77058	0.7
142.06099	7.7
146.09669	0.9
150.10231	0.8
167.12869	1.4
176.11816	1.1
178.09755	3.4
188.11819	1.2
195.12538	1.2
197.14044	9.3
206.12920	2.9
209.13976	4.6
223.15559	0.9
235.15511	5.1
237.13492	6.4
238.14262	1.2
253.16566	4.7
255.14514	71.6
291.21805	1.6
301.20380	2.8
319.21298	26.8
337.22345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89255	0.3
69.06638	0.3
70.06599	0.4
71.10931	0.3
72.04537	1.1
72.08164	2.6
75.18011	0.3
84.05633	5.3
90.35107	0.3
98.07177	2.3
98.27599	0.4
98.70503	0.3
99.07944	2.3
112.08708	0.7
113.09526	3.0
114.09171	13.4
126.10265	1.3
129.36049	0.3
138.10245	1.2
144.67088	0.3
150.09161	0.3
176.10652	0.6
181.55081	0.3
183.12312	0.4
197.13985	34.3
198.14824	0.6
218.15419	5.5
223.15556	1.7
224.13960	3.3
235.17955	0.5
245.12874	0.4
277.19113	2.6
278.18707	1.2
291.21805	0.4
293.23373	1.5
319.12695	0.5
337.22348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09004	0.5
54.00886	0.5
62.60209	0.5
72.04537	0.7
72.08146	2.1
79.37185	0.5
84.05627	3.5
98.07166	1.2
99.07941	2.5
101.96570	0.6
113.09506	2.5
114.09180	10.8
126.10276	0.7
138.10243	0.8
196.83669	0.6
197.13986	32.8
198.14775	0.8
219.50336	0.6
224.13905	1.3
268.29343	0.6
291.21725	0.9
319.21280	1.3
337.22348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57261	0.5
54.09330	0.5
58.50655	0.6
70.06611	5.7
72.04503	1.3
72.08165	5.1
81.07028	0.9
93.07037	0.9
98.06061	0.8
105.90062	0.7
110.39584	0.7
112.07619	1.2
114.09162	10.9
119.08586	3.5
121.06486	1.1
121.10144	0.8
126.79977	0.6
136.07556	3.2
145.01846	0.6
147.08089	5.2
148.11279	0.9
150.09204	2.8
153.10207	2.6
161.10823	0.7
162.09137	4.6
164.10701	3.7
166.12236	3.7
167.11789	3.0
168.13997	0.6
176.10692	11.9
179.11732	1.2
209.12720	0.9
217.16986	3.5
218.15405	64.1
235.18022	17.8
236.16470	3.3
241.50215	0.7
249.19557	2.5
251.15080	4.6
269.15964	0.7
277.19083	9.0
319.21207	5.8
337.22339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57047	0.3
54.01070	0.3
60.04518	0.4
66.03560	0.3
70.06559	0.3
72.04503	0.8
72.08170	2.6
72.61993	0.3
75.38652	0.3
76.14746	0.3
84.05633	7.5
85.28046	0.3
85.76433	0.4
98.07200	0.8
112.08739	2.0
114.09174	17.5
119.10511	0.4
126.10247	0.4
128.99622	0.3
138.10251	1.5
138.42091	0.3
157.08466	0.8
170.09375	0.4
197.13977	32.8
211.15617	1.7
223.15532	0.5
224.13977	3.0
226.51004	0.4
278.18555	2.5
295.21265	0.5
319.21124	0.5
324.38077	0.4
337.22342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58898	0.4
58.29553	0.4
60.20948	0.4
65.99133	0.5
70.06587	0.7
72.04520	0.8
72.08150	3.5
78.61900	0.5
84.05650	5.8
114.09180	17.1
123.04477	0.5
130.47997	0.5
131.16521	0.5
136.07590	0.5
138.10249	0.7
161.38840	0.5
162.09138	0.6
164.10640	0.8
176.10686	1.2
179.11844	0.8
188.92805	0.5
197.13988	32.4
218.15387	13.2
224.13927	4.0
235.18112	3.4
254.35022	0.6
277.19272	1.1
278.18655	2.2
337.22351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18053	0.4
52.54530	0.4
56.05025	2.3
58.47721	0.4
60.04516	0.6
69.07044	0.8
70.06587	1.2
72.04520	5.0
72.08157	9.9
72.79119	0.5
75.91037	0.5
79.05469	0.7
84.04501	0.9
84.05609	0.8
84.08139	2.0
91.05476	0.6
93.07049	2.0
94.06578	0.9
95.08624	0.6
95.84919	0.5
96.08132	0.6
98.07156	0.9
105.07022	2.5
106.23158	0.5
109.06528	0.6
113.10759	3.1
114.09176	35.9
115.08724	1.8
119.08590	5.1
122.05996	2.0
122.09693	3.9
123.04431	2.4
124.05069	0.7
126.06631	0.8
131.11845	1.1
136.08676	2.2
136.11212	1.0
143.11772	4.1
145.02876	0.9
146.09657	1.2
147.08047	4.0
152.11813	1.0
156.11349	4.1
164.10739	5.6
165.09125	0.8
173.13922	3.1
176.10699	1.0
177.05443	2.9
178.09734	2.0
180.48195	0.5
182.09294	0.7
188.11826	2.3
194.12996	0.6
197.14030	7.2
206.12868	3.0
211.15555	10.1
218.15431	7.0
223.15549	1.2
224.13812	0.9
235.18019	1.0
237.13472	5.5
239.14987	3.3
241.13011	0.7
249.17107	4.6
251.15068	3.0
260.17462	1.2
275.18732	1.1
277.19150	1.0
278.18542	0.5
291.21722	3.4
295.20099	0.7
301.20267	1.1
307.21338	2.5
319.17896	1.2
319.21286	20.0
337.18637	7.4
337.22333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53045	0.2
64.87452	0.3
65.88209	0.3
70.06583	0.7
70.87460	0.3
72.04533	1.1
72.08152	2.7
81.07050	0.7
81.26781	0.3
84.05630	4.4
99.08108	0.5
100.27064	0.3
112.07594	0.4
114.09173	14.0
119.08593	0.7
121.10164	0.4
125.00450	0.3
133.10133	0.6
138.10269	1.6
147.08023	0.5
159.21352	0.3
162.09123	0.7
164.10693	1.5
165.09143	0.4
166.12363	0.5
174.16159	0.4
174.85176	0.3
176.10687	2.4
179.11716	1.3
197.13983	33.3
207.70007	0.4
217.16875	0.5
218.15401	12.1
224.13951	4.6
235.18051	3.4
277.19150	1.4
278.18616	1.7
337.22345	100.0
340.88562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26004	0.4
59.84295	0.4
59.84624	0.4
70.06575	1.8
71.35580	0.4
72.04514	1.0
72.08141	2.8
84.05621	5.8
84.27045	0.5
114.09175	13.1
119.08563	0.6
131.11792	0.5
136.07585	0.7
138.10240	0.9
147.08086	0.9
153.10309	0.5
162.09090	0.6
164.10718	0.7
166.12221	0.7
176.10686	2.7
197.13997	33.0
218.15417	11.6
224.13940	4.3
226.15530	0.8
235.18044	4.2
277.19131	1.0
278.18665	2.0
337.22345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65402	0.3
59.29279	0.2
62.80820	0.2
67.44690	0.3
72.04512	0.6
72.08168	1.9
83.35658	0.3
84.05635	5.0
84.08170	0.3
98.07178	2.0
99.07964	2.8
112.08733	1.4
113.09544	2.1
114.09177	13.8
126.10269	2.0
132.46828	0.3
138.10278	1.6
173.24690	0.3
178.13420	0.5
197.13992	34.2
198.14787	0.6
201.18683	0.3
218.15414	0.4
223.15546	1.4
224.13971	2.6
278.18719	1.5
281.15979	0.3
291.21851	1.5
293.23404	2.2
337.22360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76788	0.2
72.04506	0.5
72.08170	2.2
84.05630	4.4
88.12808	0.2
92.17891	0.3
93.07036	0.4
98.07185	2.7
99.07967	2.5
105.07023	0.6
109.10239	0.3
112.08707	1.0
113.09500	2.1
114.09176	10.4
117.06992	0.3
119.08595	0.4
126.10265	1.6
131.08507	0.5
138.10255	1.0
143.08588	0.5
145.10159	0.5
159.11649	0.3
161.09657	0.3
169.10138	0.5
183.12509	0.4
187.11169	0.5
197.13974	32.4
198.14777	1.4
205.12256	1.3
223.15556	1.9
224.13934	2.7
233.11792	0.3
251.12732	0.5
276.17310	0.3
278.18628	1.5
291.21854	1.2
293.23337	1.6
306.55920	0.3
320.18774	0.3
337.13568	4.7
337.22324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06589	2.3
71.27061	0.3
72.04517	0.4
72.08159	3.1
81.07080	0.3
84.05625	5.0
110.54562	0.4
112.07589	0.5
114.09166	14.3
119.08553	0.6
131.60931	0.3
138.10222	0.7
147.07994	0.4
160.02267	0.3
162.09201	0.4
164.10786	0.6
176.10712	1.5
188.81644	0.3
190.15919	0.5
197.13977	31.5
201.53642	0.4
207.18640	0.4
218.15395	10.6
221.20819	0.3
224.13994	2.8
226.15482	2.0
235.18025	3.5
277.19156	0.7
278.18600	2.3
337.22327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.224
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04524	1.4
70.06606	10.0
72.04520	8.5
72.08162	15.3
75.58303	0.7
83.04929	0.7
84.05642	1.3
86.30815	0.7
96.05606	1.9
98.07198	1.6
109.06509	1.2
109.99692	0.8
112.07617	4.0
114.09174	80.8
122.07127	1.3
124.05064	1.0
142.06133	8.8
150.10263	1.6
160.07576	3.2
164.10793	1.0
165.70650	0.8
166.09814	0.8
167.12912	4.7
173.13943	0.8
178.09679	5.4
178.13361	1.7
186.09166	6.4
188.11855	5.0
195.12416	4.9
197.13994	13.4
206.12891	5.0
209.14015	8.7
211.15622	1.4
222.12566	1.3
223.15552	4.5
224.14098	1.1
228.85426	0.8
235.15523	7.7
237.13467	9.0
238.14272	4.9
247.15610	1.3
251.07097	1.8
253.16637	1.9
255.14513	60.5
286.06061	0.7
289.20279	1.6
290.20984	1.4
291.21732	6.3
301.20227	5.5
319.21295	100.0
337.07150	1.1
337.22281	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.224
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04524	1.4
70.06606	10.0
72.04520	8.5
72.08162	15.3
75.58303	0.7
83.04929	0.7
84.05642	1.3
86.30815	0.7
96.05606	1.9
98.07198	1.6
109.06509	1.2
109.99692	0.8
112.07617	4.0
114.09174	80.8
122.07127	1.3
124.05064	1.0
142.06133	8.8
150.10263	1.6
160.07576	3.2
164.10793	1.0
165.70650	0.8
166.09814	0.8
167.12912	4.7
173.13943	0.8
178.09679	5.4
178.13361	1.7
186.09166	6.4
188.11855	5.0
195.12416	4.9
197.13994	13.4
206.12891	5.0
209.14015	8.7
211.15622	1.4
222.12566	1.3
223.15552	4.5
224.14098	1.1
228.85426	0.8
235.15523	7.7
237.13467	9.0
238.14272	4.9
247.15610	1.3
251.07097	1.8
253.16637	1.9
255.14513	60.5
286.06061	0.7
289.20279	1.6
290.20984	1.4
291.21732	6.3
301.20227	5.5
319.21295	100.0
337.07150	1.1
337.22281	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67311	0.3
58.71857	0.3
60.04514	0.4
65.14999	0.3
69.07068	5.3
70.06588	0.4
72.04527	2.2
72.08159	5.0
81.07064	0.4
84.05619	0.5
87.34322	0.3
93.07066	0.4
95.08617	2.4
96.05647	0.4
105.07041	0.5
109.06429	0.3
110.07178	4.5
114.09170	27.2
119.08574	0.6
122.07121	1.2
123.07999	0.4
150.10225	0.6
157.30344	0.3
163.11107	0.5
167.07077	0.4
167.12965	0.5
178.13396	9.8
180.14861	1.1
193.31622	0.3
197.13988	8.2
205.11974	0.5
206.12881	4.5
209.13950	4.6
222.14781	0.6
223.15532	44.1
224.13936	0.7
235.15433	2.6
277.08722	0.4
291.21777	54.5
293.23502	2.3
315.04224	0.4
319.01349	0.4
319.21252	7.4
329.74881	0.4
337.22327	100.0
337.64728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67668	0.3
53.54583	0.3
53.79160	0.3
55.05507	0.5
58.65660	0.3
59.45409	0.3
60.03101	0.3
70.06589	0.6
72.04504	1.5
72.08159	3.2
79.73962	0.3
84.05632	7.6
84.08127	0.6
85.06430	0.4
87.43562	0.3
88.85884	0.4
90.07732	0.3
95.08569	1.3
98.07187	5.3
98.97565	0.6
99.07951	3.7
104.26544	0.3
105.07025	0.4
109.10145	0.4
112.08723	2.4
113.09514	3.6
114.09171	21.2
126.10259	2.6
138.10272	2.0
144.17372	0.4
155.42485	0.3
158.99640	0.7
162.01868	0.4
167.07088	0.5
178.13400	0.5
180.15022	0.5
183.12459	1.4
197.13980	53.3
198.14813	0.7
209.13988	0.6
223.15506	0.8
224.13898	2.2
259.34470	0.3
269.16052	1.7
276.52945	0.3
278.18692	1.7
291.21759	0.8
293.23349	3.9
301.21494	0.4
307.16925	0.4
337.22333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19341	0.7
61.46873	0.6
121.47581	0.7
127.94892	0.7
147.70642	0.7
153.46791	0.7
207.43689	0.7
218.08873	0.8
290.43793	0.9
304.77722	0.8
309.42148	0.8
337.19855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59995	0.7
59.36179	0.8
60.04536	0.9
64.99800	0.9
67.77182	0.8
70.06583	1.3
72.04523	10.6
72.08160	18.4
72.37055	0.9
84.05641	2.1
114.09178	68.1
120.08142	1.2
138.10310	1.7
150.06622	2.0
162.09120	1.1
162.10284	17.5
164.08235	3.5
178.09814	1.9
180.07681	1.5
182.09264	7.7
197.13988	26.8
206.09216	1.4
216.14854	1.4
218.15390	7.2
223.11975	5.7
235.18005	1.3
241.12985	15.1
263.15097	1.2
269.16205	1.1
273.17142	4.7
275.18661	30.6
291.18134	3.5
301.16602	3.4
312.09610	0.8
319.17627	11.9
319.21075	1.6
337.18698	100.0
337.22412	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59995	0.7
59.36179	0.8
60.04536	0.9
64.99800	0.9
67.77182	0.8
70.06583	1.3
72.04523	10.6
72.08160	18.4
72.37055	0.9
84.05641	2.1
114.09178	68.1
120.08142	1.2
138.10310	1.7
150.06622	2.0
162.09120	1.1
162.10284	17.5
164.08235	3.5
178.09814	1.9
180.07681	1.5
182.09264	7.7
197.13988	26.8
206.09216	1.4
216.14854	1.4
218.15390	7.2
223.11975	5.7
235.18005	1.3
241.12985	15.1
263.15097	1.2
269.16205	1.1
273.17142	4.7
275.18661	30.6
291.18134	3.5
301.16602	3.4
312.09610	0.8
319.17627	11.9
319.21075	1.6
337.18698	100.0
337.22412	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
59.26777	0.4
60.05634	1.0
61.43121	0.4
67.05488	0.7
69.03419	0.9
69.88069	0.4
70.06599	2.1
72.08157	7.0
73.03999	0.6
77.06390	0.4
79.05470	0.8
81.07028	0.6
81.57084	0.4
85.02884	0.5
86.09700	0.6
91.05482	0.8
93.07024	0.6
97.02892	0.5
97.07655	10.6
98.06055	27.8
99.20641	0.5
102.99709	0.5
105.07032	6.8
107.04938	1.0
108.49854	0.5
114.09171	1.4
114.10294	26.1
115.08691	19.9
117.06984	1.0
117.91003	0.5
119.08585	1.2
121.02876	4.5
129.06989	0.6
131.04927	28.9
131.08543	2.1
131.12892	2.0
135.08044	0.9
140.08174	1.1
143.08548	2.2
145.06525	0.7
145.10095	3.4
147.08020	1.0
149.06000	0.9
157.10847	40.9
159.11707	0.8
161.09625	2.2
163.03951	0.8
163.07564	0.6
164.13167	0.5
169.10086	0.7
171.08054	0.6
173.09590	1.0
177.05466	6.4
187.11159	2.6
190.09709	2.3
201.13884	19.5
202.12241	17.1
205.12274	2.1
219.15005	1.8
233.11734	1.1
241.09573	0.5
244.14462	14.6
251.12810	1.1
261.17105	12.4
279.18271	1.1
294.05255	2.6
305.76642	0.7
308.06589	1.2
309.07626	1.9
319.06082	1.0
319.11697	0.8
337.07034	27.0
337.12787	9.6
337.18683	100.0
337.21881	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	337.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	0.5
70.06590	1.2
71.54232	0.2
72.08162	2.0
84.08149	0.9
86.09688	0.5
87.04460	0.3
88.07611	0.3
89.03915	0.5
94.70584	0.2
98.06046	1.5
108.85597	0.2
117.03375	2.5
122.06006	0.4
122.09654	0.4
125.10746	0.5
126.09158	25.6
129.10265	0.3
130.05069	0.3
143.04924	0.4
143.11801	8.6
144.10185	2.3
145.02850	38.0
147.04456	0.3
149.05980	2.5
156.04382	0.3
161.05934	0.3
161.12860	4.8
163.03928	0.4
169.09775	1.4
171.04364	0.3
173.07117	1.8
177.05470	100.0
188.07095	0.5
189.05484	0.5
196.54227	0.3
197.13985	0.6
205.56146	0.3
216.06601	0.4
218.14113	1.2
224.00986	0.4
234.11243	25.2
235.14500	0.3
252.14786	0.3
258.14932	0.3
258.23355	0.3
259.06927	0.3
261.16080	0.3
275.01849	0.4
287.06711	0.6
294.05258	0.5
301.18973	0.4
309.07510	0.5
319.09241	0.3
319.12964	0.5
319.16632	1.7
319.20013	0.6
320.14935	0.6
337.06622	1.8
337.17593	70.1
337.21390	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	337.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94651	0.2
55.05520	0.4
59.36729	0.2
63.00838	0.2
69.07053	0.2
70.06583	0.9
72.08162	4.4
72.08553	0.4
74.97149	0.2
79.05503	0.3
84.08154	1.3
85.02932	0.3
87.00828	0.3
89.03929	0.9
98.06055	1.5
115.08722	0.3
116.00279	0.2
117.03365	2.2
118.54952	0.2
120.08101	1.3
121.08472	0.4
125.10756	0.9
126.09154	11.5
136.07607	0.2
143.11803	5.7
144.10202	3.0
145.02852	27.5
147.04398	1.0
149.05972	1.7
153.70601	0.2
161.12859	3.7
163.03935	0.4
169.09734	1.1
170.06003	0.2
175.03896	1.8
177.05467	100.0
187.06184	0.9
187.10808	0.2
216.06570	0.5
218.15468	0.3
219.08798	0.5
230.08029	1.8
231.25832	0.2
234.11243	41.4
258.14920	0.3
260.05493	2.8
272.65219	0.3
274.07123	0.3
274.10150	0.2
282.17340	0.2
319.13046	0.6
319.16489	3.8
319.20590	0.9
320.07672	6.1
320.14786	1.0
337.10352	5.4
337.17569	59.9
337.21176	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	337.08
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04621	0.2
55.05531	0.2
56.22688	0.2
56.46296	0.2
57.03455	2.0
57.85439	0.2
58.58017	0.2
68.82855	0.2
70.06593	3.6
71.04958	0.2
72.07798	0.5
72.08166	7.4
73.02922	1.5
75.04488	11.4
75.04913	0.4
81.04539	0.3
82.06596	0.4
84.08157	2.8
85.02926	2.4
86.09710	0.6
88.43871	0.2
89.10797	1.0
116.01381	0.6
117.02205	0.4
120.08099	0.5
128.07083	2.5
128.07906	0.3
132.50453	0.2
133.06053	0.2
137.02374	0.3
145.01646	58.9
147.01387	0.4
173.01192	0.5
175.03830	0.3
177.05450	0.4
189.01823	4.9
190.04973	0.5
191.02190	100.0
193.01869	0.3
205.04984	1.3
207.02864	4.3
220.05968	0.4
249.04211	0.3
259.10803	2.3
274.10724	1.5
287.10266	0.6
291.13535	0.6
319.12799	1.8
319.16226	0.4
320.11420	1.2
337.07922	1.9
337.14047	12.0
337.17627	0.8
337.20813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0799
Annotation	(R)-4-Bromo-2-methyl-5-(1,2,2-trimethyl-3-cyclopenten-1-yl)phenol acetate
Peak:m/z	Relative Intensity
57.03454	1.2
60.35471	0.2
69.23314	0.3
70.06580	0.3
71.04996	8.7
72.08155	0.7
75.74834	0.2
77.78633	0.3
83.04990	0.4
84.04522	0.3
85.02415	0.4
85.02915	8.3
102.20495	0.3
115.72842	0.3
116.01392	0.7
120.08115	2.5
128.07088	1.1
129.05458	1.1
131.04924	1.0
133.06046	0.7
140.04247	0.3
145.01642	62.3
147.01340	4.3
163.03885	0.4
173.01125	0.5
173.05647	0.3
187.03911	0.6
189.76767	0.3
190.08102	0.3
191.02187	100.0
193.01862	4.6
198.09531	2.5
215.07118	0.4
216.10510	1.6
219.06555	0.4
245.04558	0.4
249.03958	0.4
260.06934	0.4
262.04767	0.3
275.09106	1.4
277.07001	0.6
301.11737	0.4
319.08081	0.3
319.12735	2.4
337.07928	3.0
337.13693	3.8
337.20706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30421	2.9
55.05522	32.2
57.07088	27.6
63.11442	3.9
67.05511	51.6
69.07075	63.6
71.08629	15.3
77.92445	3.9
79.05505	16.3
81.07066	78.6
81.62612	3.8
83.04962	5.2
83.08631	65.9
83.54970	3.6
85.10194	5.4
86.06082	4.7
89.06037	8.0
91.05494	13.3
93.07027	25.2
95.08045	5.5
95.08613	90.1
97.06552	6.5
97.10173	44.3
100.07652	8.8
105.07003	4.1
107.08587	18.1
109.10176	45.8
111.08097	5.5
111.11738	6.7
114.09137	4.5
119.08580	17.3
121.10155	17.0
123.11713	22.4
128.10683	6.0
133.10144	6.6
135.11720	17.3
137.09624	5.0
137.13245	4.6
142.12233	5.7
142.22603	3.8
145.87727	3.4
147.11723	15.5
149.13167	5.7
151.09692	4.8
161.13222	8.6
163.34172	4.2
175.14777	6.1
189.67082	3.7
226.91240	4.0
274.12015	3.9
301.28983	35.2
319.30026	71.1
336.32639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17702	5.2
73.14870	7.2
81.06981	6.5
86.27760	6.1
87.81091	7.0
93.07047	9.1
160.06375	7.3
164.61703	7.7
291.23346	10.0
336.29031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
57.07066	1.0
58.62429	0.6
61.94076	0.6
67.05504	1.5
69.07051	4.4
71.08640	11.9
72.04519	11.6
79.05503	0.9
79.32176	0.6
81.07072	4.9
83.08624	1.1
91.55792	0.6
93.07034	3.5
94.33246	0.7
95.08598	5.3
97.06525	0.7
99.08090	4.3
107.08609	1.6
109.06529	1.0
109.10152	3.2
114.09182	2.5
119.08537	1.0
122.27126	0.7
128.10725	2.9
133.10117	1.4
136.46304	0.6
138.81694	0.7
142.12230	1.0
147.11606	1.1
149.13249	0.7
151.11137	0.8
156.13788	0.9
161.13304	0.9
165.12724	4.7
168.13895	0.8
175.14899	1.0
182.15384	1.2
183.46336	0.7
235.16922	0.9
238.21667	6.9
291.23181	7.7
313.69214	0.7
336.28970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	4.2
60.85878	0.5
66.92585	0.4
70.06596	13.5
72.08171	0.6
72.93698	0.4
77.20202	0.5
82.06596	0.9
84.08148	100.0
84.49740	0.5
85.02915	0.5
86.09715	0.5
90.57320	0.5
95.86283	0.4
110.09680	0.8
112.07600	0.6
113.07121	0.7
118.87969	0.4
125.10735	0.7
126.09120	0.9
127.11362	0.7
127.12316	19.3
148.07597	0.6
149.76749	0.5
151.07507	0.5
155.10698	0.4
155.11765	3.5
173.12830	2.1
202.14119	0.7
218.06863	2.0
233.09123	5.4
262.16235	0.7
272.15494	0.5
277.11865	0.8
291.13379	2.4
292.16583	2.6
318.18680	2.4
319.16531	6.7
336.19223	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1669
Annotation	Isopentenyladenosine
Peak:m/z	Relative Intensity
55.01881	0.5
57.03442	0.9
57.23420	0.4
64.65785	0.4
69.07067	4.7
70.06610	0.4
72.08172	0.5
72.40517	0.4
73.02934	0.5
85.02911	0.9
91.97173	0.5
97.06540	2.2
98.06847	0.9
136.06195	100.0
148.06190	45.3
150.06537	0.6
161.37097	0.5
201.28117	0.5
204.12453	83.4
267.88120	0.5
272.99841	0.6
336.16653	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81864	0.5
52.99094	0.5
55.05500	0.7
60.05648	0.5
70.06573	1.0
72.08152	22.8
72.29546	0.5
75.33195	0.6
81.02926	0.6
84.47873	0.6
84.90176	0.6
86.09678	1.4
97.07629	3.4
98.06032	1.4
105.07056	0.7
105.49586	0.6
109.19019	0.7
114.10281	24.1
115.08689	10.8
127.04954	0.6
131.99368	1.2
132.10211	1.2
164.01656	10.4
178.03241	4.4
205.04274	4.0
206.02704	51.3
276.11670	10.1
277.10016	46.7
283.08093	0.9
294.12634	1.5
302.09357	1.0
319.12311	8.4
336.14847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
69.40069	0.6
70.06612	1.0
72.11321	0.7
74.00665	6.0
76.02239	7.9
85.02885	1.6
86.00673	7.0
86.09715	97.0
91.05523	0.7
99.01435	4.1
100.02216	16.5
105.07043	2.9
105.97855	12.3
113.02534	0.7
114.20279	0.7
120.08125	3.8
131.99385	66.5
132.10217	100.0
133.06458	2.5
140.10707	3.1
141.10222	3.5
149.02049	17.3
151.04120	0.8
151.07564	1.7
159.98868	4.5
163.54637	0.7
172.07932	9.9
177.01511	11.9
185.36127	0.7
187.10782	1.1
189.01518	1.4
189.10590	4.8
197.08139	4.2
205.01030	15.6
211.10803	1.1
212.09819	1.1
218.08478	1.2
220.04639	3.4
228.64124	0.8
229.10490	0.9
232.09695	1.2
235.11269	2.7
245.07780	39.7
257.09195	0.9
258.10239	9.1
261.52573	0.7
272.11142	1.1
274.20078	3.6
283.08047	1.0
291.08325	56.5
300.10602	2.8
301.09225	1.2
318.11819	14.1
336.10452	11.8
336.13239	3.6
336.19757	1.2
336.23682	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	336.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
69.40069	0.6
70.06612	1.0
72.11321	0.7
74.00665	6.0
76.02239	7.9
85.02885	1.6
86.00673	7.0
86.09715	97.0
91.05523	0.7
99.01435	4.1
100.02216	16.5
105.07043	2.9
105.97855	12.3
113.02534	0.7
114.20279	0.7
120.08125	3.8
131.99385	66.5
132.10217	100.0
133.06458	2.5
140.10707	3.1
141.10222	3.5
149.02049	17.3
151.04120	0.8
151.07564	1.7
159.98868	4.5
163.54637	0.7
172.07932	9.9
177.01511	11.9
185.36127	0.7
187.10782	1.1
189.01518	1.4
189.10590	4.8
197.08139	4.2
205.01030	15.6
211.10803	1.1
212.09819	1.1
218.08478	1.2
220.04639	3.4
228.64124	0.8
229.10490	0.9
232.09695	1.2
235.11269	2.7
245.07780	39.7
257.09195	0.9
258.10239	9.1
261.52573	0.7
272.11142	1.1
274.20078	3.6
283.08047	1.0
291.08325	56.5
300.10602	2.8
301.09225	1.2
318.11819	14.1
336.10452	11.8
336.13239	3.6
336.19757	1.2
336.23682	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	336.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	1.6
60.14533	1.3
61.91996	1.3
67.02624	1.2
70.06579	6.3
70.95907	1.8
72.00385	1.6
72.08158	5.6
72.38232	1.3
72.93786	8.6
80.05439	1.3
81.03388	1.6
83.03944	1.3
84.08156	3.4
84.51273	1.4
85.02934	9.7
86.77785	1.3
87.00787	1.8
88.07623	45.3
90.94825	3.4
91.05473	2.1
92.98547	1.3
101.55242	1.4
105.07012	1.4
107.04958	71.3
109.02881	1.4
113.80308	1.4
113.96407	8.9
121.02845	2.3
121.06496	13.2
127.03886	2.6
132.95872	6.0
133.06487	8.8
135.04509	1.9
142.44043	1.6
150.96886	2.7
151.07545	2.1
152.96352	8.5
155.97415	3.3
162.05542	2.4
162.98427	6.7
166.97879	12.8
170.97397	5.3
173.98430	1.8
178.97899	25.9
179.06995	2.1
180.99467	32.7
182.97415	5.6
184.99049	2.0
194.97415	20.2
195.01035	8.6
196.98999	9.7
197.08035	1.4
198.96892	6.4
204.01170	6.3
207.01106	10.7
208.98961	69.2
211.97641	1.9
212.98413	2.3
220.98975	7.2
222.02029	2.1
223.00507	100.0
229.98679	5.7
232.00592	11.0
232.98996	2.0
248.98454	2.3
251.00009	32.1
259.06168	2.0
264.03180	9.2
269.01016	16.1
274.01593	74.1
283.08270	3.0
288.01035	1.5
292.02615	42.4
292.78845	1.4
294.00616	2.4
294.98953	11.1
312.99985	6.3
315.04205	2.0
333.22748	1.5
336.01648	3.0
336.10437	14.5
344.85828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06835	1.5
57.07086	27.3
66.66496	1.3
67.05508	3.1
69.07081	2.4
71.08639	27.0
78.59261	1.3
80.14875	1.5
81.07072	5.7
85.10189	20.1
89.06033	100.0
93.07022	2.1
95.08590	1.9
97.06521	2.2
99.11813	1.7
107.07079	6.4
133.08612	35.6
151.09673	2.7
161.04353	1.6
174.03410	2.0
177.11249	7.3
195.12285	94.9
283.99817	1.7
335.21893	7.3
335.28247	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	335.2583
Annotation	Isoobtusilactone B
Peak:m/z	Relative Intensity
55.70893	5.8
56.57719	5.4
73.41781	6.0
81.07088	9.5
93.07014	8.9
95.08609	13.0
109.06551	55.0
191.87978	6.4
213.47260	6.6
325.28986	7.2
335.25961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
52.29235	1.0
53.62054	1.0
55.01879	1.4
55.05516	5.4
56.92126	0.9
57.03445	13.5
57.07061	2.0
59.53481	0.9
67.05179	1.8
67.05511	35.4
69.03444	1.2
69.07082	8.6
71.08657	1.0
74.15163	1.0
79.05495	19.6
81.03437	1.3
81.07064	45.8
83.08630	5.5
85.06574	1.0
91.05468	9.7
93.07040	28.9
95.08604	35.9
97.06519	2.2
97.10149	1.8
97.14431	1.1
105.07032	8.5
107.08604	17.3
109.10162	15.9
117.07040	2.2
119.08566	9.0
121.10136	18.7
123.11686	2.7
127.06958	1.0
129.05492	5.1
131.08578	5.8
133.10168	8.2
135.11703	11.7
137.13264	1.1
145.10168	7.2
147.11700	2.5
149.09631	1.7
149.13260	6.6
155.07040	1.2
159.11684	5.7
161.13393	3.7
163.14798	1.9
173.13254	2.3
175.14822	1.2
177.12804	1.1
177.16370	1.5
204.00403	1.2
233.22655	1.1
242.24672	1.5
243.21152	9.3
243.25137	4.7
245.22672	1.1
261.22141	5.5
317.21304	1.3
317.24747	4.9
335.21945	14.6
335.25809	100.0
335.29877	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	335.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	61.1
69.99155	47.6
71.08646	100.0
81.07095	54.4
85.22744	44.1
87.05825	55.5
90.86909	49.7
93.07040	83.8
95.08591	75.9
99.08089	77.3
110.69215	55.0
125.27561	54.4
126.60751	53.1
150.20256	59.6
159.11728	60.9
199.23856	51.1
240.60262	52.7
335.23947	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2583
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
55.01886	13.4
62.93169	12.6
67.05519	22.9
69.07057	71.9
70.63806	12.5
71.08614	17.9
79.05510	16.1
81.07056	30.3
90.23657	12.4
91.05467	18.1
93.02091	12.8
95.04967	19.5
95.08627	21.3
109.10171	14.0
117.70852	12.5
119.08585	17.7
121.10137	31.7
133.10133	55.0
139.11179	31.8
145.10159	28.6
147.11713	24.8
157.78111	13.5
166.48444	14.4
171.11623	19.0
205.15997	14.2
255.87247	14.5
285.22110	22.1
303.23157	26.3
317.24786	25.5
335.26016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	Isoobtusilactone B
Peak:m/z	Relative Intensity
50.46563	0.5
51.39347	0.5
54.51258	0.5
55.05519	7.7
57.03205	0.7
57.03447	12.4
57.07076	1.1
65.03929	0.9
67.05511	40.4
69.07072	10.9
79.05070	1.0
79.05497	21.6
81.06614	1.3
81.07066	35.3
83.04986	0.9
83.08609	3.9
91.05482	8.3
93.07050	24.1
95.04973	1.1
95.08607	27.3
97.10152	1.1
105.07011	4.2
107.08602	10.3
109.06479	0.8
109.10165	13.8
114.36573	0.7
117.06998	2.5
119.08603	5.4
121.10157	7.1
123.11699	2.6
129.89810	0.6
131.08530	2.8
133.10118	1.4
135.11684	4.8
137.13179	0.9
145.10123	1.2
147.11688	1.0
149.13217	1.3
159.11632	0.7
160.33989	0.6
161.68643	0.6
175.14893	0.7
261.22147	1.0
335.22235	3.8
335.25790	100.0
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	Isoobtusilactone B
Peak:m/z	Relative Intensity
53.00301	0.7
55.05525	9.9
55.35162	0.7
57.03444	12.6
57.07084	1.7
58.06606	3.2
60.04527	1.0
65.51385	0.8
67.05511	40.6
69.07079	12.5
71.05010	0.9
74.06094	0.8
79.05492	22.2
81.07062	37.4
83.08630	2.0
86.06080	1.2
88.07626	5.5
91.05476	10.9
93.07042	25.1
95.08611	30.3
97.06512	1.9
97.10160	1.1
104.07131	2.0
105.07017	6.1
107.08587	10.7
109.10170	11.2
119.08590	5.2
119.99124	0.8
121.10137	7.3
123.11663	1.6
131.08548	3.8
132.10242	1.0
133.10150	1.3
134.82352	0.8
135.11691	3.8
145.10135	1.0
147.11624	0.8
166.10739	1.4
182.49219	0.9
189.54057	0.8
197.60280	0.9
230.25352	0.9
242.24847	3.8
243.25137	16.3
250.19604	0.9
260.36249	0.9
287.27661	6.7
328.11392	0.9
335.25797	100.0
335.29883	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	335.2217
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
55.01878	4.5
55.05527	12.7
57.03452	14.0
65.03922	1.2
67.05511	49.9
68.65479	1.1
69.07074	19.1
71.04990	2.4
79.05505	31.4
81.06603	2.1
81.07067	58.0
83.04964	2.5
83.08624	5.1
85.02896	6.7
85.06526	1.7
91.05487	21.6
93.07047	33.1
95.04960	7.2
95.08611	39.6
97.06540	5.5
97.10135	1.6
99.04475	1.9
105.07037	21.7
107.04971	2.6
107.08599	14.8
109.06523	8.2
109.10157	13.5
111.04442	8.0
111.08047	1.8
117.07014	6.6
119.08585	20.9
121.06488	2.4
121.10157	13.3
123.08094	18.2
123.11723	1.7
124.70387	1.4
125.06063	1.8
125.09639	1.6
129.07022	7.1
131.08572	8.1
133.06473	2.4
133.10132	20.4
134.48862	1.4
135.08038	2.9
135.11696	6.9
137.09612	6.6
143.08614	5.8
145.05368	1.2
145.10114	5.4
147.08084	2.1
147.11696	7.4
148.68932	1.1
149.09621	1.8
149.13280	2.1
151.07574	4.9
151.11153	4.6
155.08501	1.4
157.10136	8.9
159.11729	2.5
161.09579	11.7
161.13231	4.3
165.09102	1.6
169.10129	1.3
171.11636	10.6
173.13223	5.1
175.11189	5.8
179.10698	5.7
183.11702	5.1
185.13303	2.1
187.14795	1.6
189.12779	6.2
197.13310	1.3
199.11179	2.0
201.12811	4.8
203.14340	1.9
207.13803	2.2
215.14384	2.1
217.12289	6.1
219.13916	2.1
233.15364	2.4
269.24527	1.3
281.18854	5.1
299.20163	14.8
317.21133	33.6
335.22000	43.3
335.25833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.221
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
55.01881	7.5
55.05514	7.5
55.87071	0.9
57.03454	13.8
67.05510	14.5
67.57331	1.0
69.07063	2.6
79.05484	7.7
80.95182	1.1
81.03430	1.3
81.07068	10.2
83.04984	1.3
85.06145	1.2
85.06563	18.5
90.60332	1.2
91.05479	10.8
93.07040	15.0
95.04977	23.1
95.08603	6.2
97.06550	1.6
98.98566	1.3
105.07022	8.7
107.08602	6.2
107.55927	1.2
109.06527	36.1
111.04511	1.2
111.08046	2.0
113.06014	100.0
117.07020	2.5
119.08578	7.3
123.08067	1.5
124.16862	1.1
125.09621	7.1
129.06999	3.0
131.08569	5.8
133.10144	2.9
135.08051	6.7
137.05995	12.9
143.08559	2.0
145.10176	2.8
147.08037	5.4
147.11729	2.7
149.09561	1.3
155.88565	1.3
157.10153	1.6
161.09569	1.6
161.13367	1.8
163.14806	1.5
165.09158	1.6
171.11719	2.2
173.09552	1.3
185.13286	2.0
189.12779	2.3
197.13451	1.4
207.13789	4.8
215.14478	1.5
243.17378	1.4
284.36353	1.4
299.20068	9.4
317.21204	27.4
317.24677	2.4
335.22012	55.8
335.25974	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	335.2217
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
51.23984	3.8
55.05512	19.0
57.03414	6.0
57.07054	5.5
59.00019	4.4
67.05500	24.4
69.03429	4.8
69.07053	26.3
71.04982	5.7
79.05480	25.8
81.07066	48.2
83.08614	21.9
91.05466	20.0
93.07056	48.2
93.58601	4.1
95.04970	9.8
95.08617	64.8
95.77939	4.5
97.06518	10.7
99.08106	11.0
105.07043	48.6
107.08597	65.7
109.06551	4.9
109.10155	51.9
111.08113	7.6
117.07000	17.4
119.08593	63.6
121.10160	46.7
123.04401	5.5
123.08031	19.0
123.11707	80.4
125.05986	5.4
129.06999	8.5
131.08542	50.5
133.06511	4.9
133.10120	58.6
135.08037	20.9
135.11671	21.6
137.09593	5.4
137.13272	9.9
142.07822	8.2
143.08554	34.0
145.10095	62.1
147.08069	10.8
147.11693	25.0
149.05992	7.2
149.09628	8.4
149.13237	7.1
155.08543	10.9
157.10092	41.1
159.11699	59.5
161.09613	10.8
161.13275	8.4
163.07484	11.0
169.10146	32.1
171.11638	49.3
173.09576	6.8
173.13179	40.2
175.11194	9.2
175.14803	21.6
181.08571	6.6
182.10934	6.2
183.11673	30.8
185.13255	22.5
187.11259	7.6
187.14804	11.3
189.12656	8.3
197.13251	54.6
199.14810	27.7
201.12740	16.9
203.10696	6.2
211.14844	10.6
211.59096	5.8
213.16379	24.5
215.14301	8.8
219.13982	5.9
225.16138	6.1
227.17918	10.8
245.11658	6.0
253.19380	37.7
271.20599	57.7
281.19003	18.6
299.19937	41.8
317.21091	32.2
335.11554	17.6
335.18701	11.2
335.22232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15439	1.9
67.05506	5.4
70.98953	2.2
79.05527	2.6
81.07049	9.8
87.60874	2.0
87.68491	2.2
95.08611	5.1
107.08570	2.3
121.10173	2.7
182.11388	2.3
188.17711	2.8
261.90808	2.4
284.87579	2.5
309.12616	2.2
335.22028	100.0
335.25867	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25014	1.0
65.66811	1.0
67.05493	6.6
68.27672	1.1
69.07060	1.8
79.05513	3.8
81.07055	6.5
82.06844	1.1
83.08612	1.5
91.05517	1.5
93.07049	4.3
93.38055	1.2
95.08596	5.8
96.78968	1.1
97.06533	2.4
98.07074	1.0
107.08584	1.7
131.08556	1.4
132.99568	1.7
142.98007	1.2
144.24654	1.1
144.99583	1.2
145.10188	1.1
150.98509	1.0
156.99593	2.2
167.93748	1.1
171.01080	2.1
176.98540	5.2
179.01610	1.7
184.72609	1.3
187.00703	1.7
191.00101	7.2
193.03242	1.1
200.31609	1.2
242.24586	1.3
315.52032	1.2
317.21292	1.9
335.13327	19.4
335.21948	100.0
335.25839	18.0
335.30042	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	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.4
57.03448	12.0
57.07065	0.7
67.05514	33.3
69.07074	7.5
79.05504	16.9
81.07063	27.5
83.05005	1.5
83.08609	3.7
85.06557	2.9
86.90667	0.7
91.05495	9.2
93.07053	21.3
94.80788	0.8
95.04972	4.6
95.08609	22.6
95.56366	0.8
97.06538	3.8
99.50671	0.8
100.76787	0.9
105.07030	4.6
107.08591	10.8
109.06504	3.0
109.10152	7.9
113.06013	7.8
117.07061	1.6
119.08561	4.9
121.10144	5.5
123.11702	1.3
131.08553	3.7
133.10135	3.0
135.08070	1.0
135.11702	4.8
144.07210	0.8
145.10126	1.6
147.11702	1.2
149.13170	0.8
150.47960	0.8
157.42950	0.9
159.11711	1.1
161.09579	0.8
171.11681	1.3
317.21158	1.2
321.34885	0.8
335.21899	100.0
335.25842	77.5
347.75647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55782	0.7
72.62595	0.6
79.63493	0.7
81.07050	1.1
93.07079	1.1
101.09711	0.8
107.08624	1.0
111.93481	0.6
112.46652	0.8
121.10149	0.9
129.44391	0.7
133.10127	0.7
165.12874	0.8
299.20264	0.7
317.21362	1.5
317.24649	7.2
335.21942	100.0
335.25418	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
57.03444	3.5
58.37734	0.6
59.32142	0.6
63.41984	0.6
67.05515	9.7
69.07076	2.8
72.89566	0.8
79.05499	5.4
81.07061	12.6
82.50085	0.6
83.08634	0.9
91.05493	1.3
93.07050	6.0
95.08615	10.6
98.56932	0.7
105.07051	1.7
107.08609	3.0
109.10142	3.9
119.08585	1.0
121.10152	3.8
123.11752	1.3
131.08606	1.6
132.84805	0.6
133.10109	1.7
135.08107	0.9
135.11688	1.4
137.13359	0.8
145.10153	1.0
147.11684	1.1
149.13290	1.7
159.11664	1.4
161.13254	1.2
167.27362	0.7
177.83914	0.8
317.24637	0.7
335.21933	100.0
335.25845	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.4
56.62633	1.1
57.03435	6.5
59.59109	1.1
67.05508	15.1
69.07054	5.4
72.54211	1.0
79.05496	8.1
81.07070	13.0
89.54797	1.0
91.05477	4.9
93.07065	11.7
95.08607	12.3
98.48533	1.3
105.07057	2.3
107.08591	4.3
109.06506	1.5
109.10164	2.6
113.40231	1.2
119.08580	2.4
121.10138	5.1
124.33114	1.0
133.10159	1.6
136.57497	1.1
217.99760	1.4
261.22040	1.2
261.86127	1.5
267.53519	1.2
272.35870	1.2
335.09000	1.9
335.21887	100.0
335.25836	34.5
342.83221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2076
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
60.04532	0.9
67.05544	0.7
70.06594	8.5
72.04516	5.1
72.08164	9.9
80.62756	0.6
81.07082	1.0
84.05623	2.8
93.07027	1.1
95.08579	1.2
96.05593	0.5
105.07019	0.7
112.07569	2.3
114.09173	34.0
121.10072	0.8
123.07944	1.0
127.32249	0.7
129.77156	0.6
134.09634	1.4
137.09485	2.2
143.61827	0.7
151.11028	1.0
159.09174	0.6
162.09122	2.1
162.10304	1.1
176.11809	7.1
186.10254	0.7
197.13965	1.3
204.11310	22.2
213.05534	1.0
214.05824	1.3
219.07690	1.0
220.14468	0.7
222.12373	3.0
224.13945	4.6
236.16353	2.6
247.10832	4.8
257.17383	0.8
258.16055	1.1
261.16916	1.4
275.09161	1.1
275.18802	4.1
276.09412	8.4
289.20175	8.4
299.18713	3.3
317.19693	18.3
335.20755	100.0
352.59607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90645	0.4
55.09973	0.4
56.62081	0.4
60.04525	0.7
70.06597	6.2
72.04528	4.9
72.08160	11.3
78.53123	0.5
81.07102	0.6
93.07034	0.9
95.08605	0.6
96.05572	2.0
107.99113	0.5
112.07588	0.7
114.09167	29.8
121.06531	0.7
121.10205	0.5
123.07954	0.7
133.10165	0.7
134.09682	0.8
136.08731	0.8
137.09523	2.0
147.04343	0.5
151.11139	1.7
152.12994	0.5
160.07571	0.7
161.06088	0.6
162.09129	2.1
162.10330	1.0
163.03766	0.7
163.49387	0.5
164.11848	1.0
176.11832	8.0
178.13364	0.5
180.66838	0.5
186.09065	1.1
197.13965	2.8
204.11337	22.1
214.05806	0.8
220.14439	0.9
222.12373	1.1
224.13940	1.2
234.98068	0.6
236.16312	2.7
258.16034	1.0
261.15921	8.3
273.19604	1.2
275.09186	2.2
275.18796	4.1
276.09515	6.8
287.18713	1.1
289.20142	7.4
299.18597	2.4
317.19711	17.7
335.20734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1967
Annotation	proglumide
Peak:m/z	Relative Intensity
51.20233	0.5
52.82996	0.5
55.24491	0.6
58.06587	2.5
63.08296	0.5
63.13578	0.6
63.35126	0.6
63.57074	0.6
70.06595	4.5
72.04494	1.3
72.08128	3.4
84.08130	2.6
86.09701	1.3
96.08154	4.3
97.93031	0.7
105.84758	0.7
110.09702	0.6
114.09179	6.8
124.48685	0.6
126.12768	2.9
136.07535	1.3
137.09528	0.9
150.09138	0.7
160.07535	2.7
162.09103	1.1
170.09537	0.8
173.05919	3.3
174.09108	3.9
186.03105	2.8
186.09016	1.0
187.09827	0.8
190.12309	4.9
198.09094	2.5
200.10646	1.5
202.12241	3.7
204.11421	6.9
212.10634	2.6
224.13991	2.8
229.04950	1.5
229.13277	1.2
233.16472	2.5
242.15369	3.2
243.14857	4.9
247.05969	1.1
260.12717	0.7
261.15982	69.6
271.18124	0.8
273.19537	5.0
286.14240	2.7
289.20129	0.8
302.16196	0.9
317.18585	21.3
335.19684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45564	0.3
52.28507	0.3
53.89411	0.3
54.36248	0.3
58.06616	3.0
64.56059	0.4
66.00910	0.4
67.18832	0.3
69.07067	0.6
69.14719	0.4
70.06584	2.0
70.12968	0.4
72.08163	3.1
81.03445	0.7
82.06580	0.4
84.04479	0.8
84.08125	0.8
85.02906	0.7
93.07011	0.7
94.72353	0.3
97.06536	0.4
98.09644	0.5
98.85099	0.4
105.07034	3.1
116.07088	0.5
119.04876	0.5
120.08057	0.5
124.75426	0.4
134.09625	2.1
136.07576	1.7
137.08374	11.3
138.09158	0.7
150.09125	0.7
160.07607	2.2
162.05460	0.6
162.09161	3.0
164.10637	0.5
173.08304	3.0
174.09152	7.0
175.06267	0.6
176.07028	0.7
186.09129	1.0
187.09914	0.8
188.07086	1.8
188.10710	2.6
189.07817	1.8
190.08603	2.4
200.10693	0.8
202.08588	0.9
204.10327	0.8
212.10690	0.7
219.11176	0.7
228.10219	2.8
228.13919	1.0
231.11295	34.0
234.13721	0.8
235.14505	0.9
236.15268	0.9
243.11307	2.1
245.12930	0.8
247.07150	0.6
256.13312	2.0
261.16000	2.7
273.19684	0.5
274.14426	2.4
275.06680	4.7
281.16406	0.8
284.15216	2.7
286.14380	0.5
287.17407	0.6
299.06747	0.6
299.17807	0.9
317.07809	3.6
317.18604	80.8
335.09100	3.6
335.19647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1967
Annotation	proglumide
Peak:m/z	Relative Intensity
51.95026	0.6
58.06599	1.1
69.84686	0.6
70.06577	3.7
72.08151	0.6
84.08146	2.8
86.09701	1.4
96.08111	1.5
98.09687	3.1
98.39814	0.8
122.10842	0.7
124.11185	0.7
126.12806	7.5
136.07545	1.5
150.09132	2.4
155.69360	0.6
160.07565	3.7
162.09064	1.0
170.11728	1.1
173.08336	0.9
174.09143	6.7
186.09116	0.7
187.09906	0.8
188.10744	2.8
190.12267	1.4
198.09111	1.0
200.10754	3.0
202.12289	4.1
202.80287	0.7
212.10730	1.2
213.11502	0.8
214.12396	0.8
215.11752	1.5
216.12746	0.8
217.13387	0.6
227.13071	1.2
228.13902	0.9
229.13319	1.1
233.16466	0.8
242.15393	5.3
243.14841	3.1
245.16563	5.5
258.17212	0.8
261.13373	1.4
261.15988	28.5
271.18109	3.1
272.12646	0.8
273.19583	10.7
286.14322	4.9
291.20709	1.4
317.18597	32.4
319.50974	0.6
335.19638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59763	0.5
58.06596	1.5
69.02273	0.5
70.06577	3.6
72.08132	1.0
84.08143	1.0
84.10270	0.6
86.09695	1.3
87.32251	0.6
96.08115	3.3
98.09667	3.7
117.93417	0.7
126.12811	6.1
136.07541	1.1
150.09134	1.5
160.07555	4.1
161.08397	0.6
162.09148	0.7
164.10637	0.8
173.08269	0.7
173.10378	0.7
174.09164	6.2
184.07693	0.7
186.09169	2.5
187.09924	0.9
188.10704	1.3
190.12241	2.9
198.09167	1.2
199.10001	1.0
200.10667	2.5
202.12265	2.8
212.10648	3.0
213.11575	1.0
215.11703	2.6
217.13390	1.0
218.14131	0.8
228.13899	1.4
229.13396	3.0
233.16483	1.0
242.15358	6.2
243.14896	1.5
245.16472	2.6
246.11197	1.1
258.17490	1.3
260.13120	0.7
261.15970	38.2
271.18011	2.4
273.19653	9.2
274.14221	0.9
286.14343	4.3
291.20700	1.5
302.16159	1.0
317.18619	32.1
317.22397	1.0
335.07849	5.5
335.19644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11428	2.7
81.07072	3.2
95.08581	3.9
171.38043	3.2
176.42996	3.0
239.19843	3.6
257.26370	3.5
335.18326	100.0
335.21979	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	335.1966
Annotation	proglumide
Peak:m/z	Relative Intensity
51.59951	0.4
58.06594	1.2
58.12645	0.5
63.02370	0.8
70.06583	3.8
72.08148	1.1
74.58051	0.6
76.34518	0.6
86.09675	1.0
88.85426	0.5
89.03917	1.1
91.47654	0.7
93.66162	0.6
96.08108	2.8
98.09671	2.9
100.39452	0.6
126.12815	4.9
136.07545	2.2
147.06844	0.7
150.09151	0.8
160.07573	3.7
162.09129	1.2
164.10730	0.8
173.08383	1.0
174.09132	7.7
186.09262	1.9
187.09885	0.7
188.10706	2.7
190.12263	3.4
198.07346	0.6
198.09140	2.2
200.10716	1.2
202.12309	1.4
204.10266	0.8
212.10794	1.1
213.11542	0.8
215.11769	1.0
228.13910	1.1
229.13382	2.6
233.16551	0.8
242.15480	6.9
243.14909	3.3
245.16499	1.4
250.19604	0.6
258.17157	0.9
260.12955	0.9
261.15973	39.2
271.17966	1.1
273.19647	9.2
274.14453	1.1
286.14435	3.5
291.20639	0.8
308.14911	0.6
317.18594	27.8
335.19641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.183
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37279	2.5
91.36047	3.0
94.86468	2.4
111.09952	3.0
113.12164	3.5
142.87286	3.5
183.94211	2.9
213.33702	2.9
238.45164	3.0
335.09216	14.5
335.18289	100.0
335.21552	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69033	0.4
56.23045	0.5
63.02378	0.6
66.05909	0.5
69.07050	0.8
70.06595	2.4
72.08149	3.8
89.03910	2.1
98.06023	0.9
105.06992	0.5
123.98518	0.6
127.03970	0.8
147.04414	1.4
161.76488	0.6
163.03882	2.3
174.07813	0.7
188.09450	0.7
199.08662	0.8
201.10220	20.9
202.11011	16.7
203.11790	5.5
227.11714	0.9
231.11292	17.7
245.12856	51.3
251.13853	1.0
255.11359	2.8
263.94778	0.7
271.10791	2.6
273.12354	14.1
275.10300	19.1
289.11981	0.7
297.19186	0.6
299.10367	0.7
317.11328	3.3
317.14828	1.1
318.15271	0.7
335.12378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	7.1
55.02084	1.9
55.70671	0.3
62.31961	0.3
63.25918	0.3
63.77457	0.3
64.09660	0.3
66.40049	0.3
66.88752	0.3
70.06526	0.7
72.08070	0.6
79.05384	0.3
81.81689	0.4
84.08033	0.6
86.09615	0.6
96.04383	0.4
96.78288	0.3
108.04369	0.6
114.91483	0.4
122.05884	1.7
123.04392	0.3
127.03846	0.4
136.07495	0.4
140.06982	0.7
150.05347	0.6
160.07454	0.3
167.06926	0.5
168.06573	2.3
174.08936	0.4
176.06898	0.4
178.08490	1.8
184.07420	0.5
187.08446	0.3
189.07367	0.7
194.08031	0.5
196.05257	0.3
198.09085	0.5
199.08711	0.6
200.06946	0.5
200.10805	2.7
201.10333	3.7
202.08594	0.6
212.07016	0.4
213.10124	1.4
215.08090	0.5
216.08888	1.4
217.09804	3.4
218.50540	0.3
219.11353	0.4
226.08586	1.5
227.08189	5.9
228.06560	1.1
228.10210	8.9
229.09773	5.6
230.08005	0.7
230.10297	0.6
231.11186	0.7
240.06250	0.3
243.11290	7.9
244.08208	2.3
245.06789	0.4
245.09195	8.9
245.12807	0.7
246.11224	0.5
247.10800	3.2
253.09691	1.2
254.08118	4.9
255.11259	0.7
256.09540	0.4
257.09189	22.6
258.10019	3.4
261.12164	0.4
261.15921	3.9
265.11856	2.3
271.10760	15.3
272.09164	1.9
273.12323	0.7
273.19559	0.5
281.09015	0.8
282.07565	0.8
284.07877	0.4
289.11856	9.4
299.10257	17.5
300.08612	0.7
302.08878	2.2
307.12939	4.1
317.11316	100.0
317.18610	2.7
335.12378	58.7
335.19250	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	335.074
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
62.69124	2.0
73.61604	2.0
75.82911	1.8
89.44101	2.4
125.35127	2.0
130.65874	2.2
140.98895	2.1
150.65358	2.3
162.59103	2.1
221.03152	3.1
261.16006	4.7
275.10019	3.4
293.10892	2.3
335.07370	100.0
335.11420	5.1
335.19376	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	335.1128
Annotation	Melampodin B
Peak:m/z	Relative Intensity
50.46571	0.6
53.47430	0.5
55.01869	0.5
55.05508	2.8
57.03445	0.5
57.44990	0.5
65.66060	0.5
67.05492	1.4
69.07058	3.5
75.63480	0.6
79.05494	8.7
81.03403	2.5
81.07059	5.7
83.04976	1.1
91.05525	0.7
94.39477	0.6
95.04961	2.4
95.08602	1.0
96.05730	0.7
97.06509	4.5
103.05452	1.4
104.04477	0.5
105.66803	0.7
119.04884	1.1
123.04440	5.8
131.04909	6.7
134.03633	2.7
145.06497	4.1
147.04436	5.3
147.08138	0.8
151.03917	2.7
155.08591	0.9
157.06506	1.4
159.04443	1.0
159.08038	3.4
160.05153	4.5
161.05919	0.7
163.03928	5.9
173.05963	3.2
173.09627	2.3
173.24474	0.6
175.03903	3.9
176.04654	0.6
177.05469	5.9
183.08043	0.7
187.07594	0.8
189.05479	21.3
191.03371	4.0
197.09694	1.2
199.07533	0.7
199.11208	0.8
201.09119	19.8
202.06248	1.3
202.08026	1.5
202.09891	29.0
203.03423	0.8
203.07027	11.6
203.10657	14.4
203.55081	0.6
207.02881	3.1
219.02960	1.4
225.09062	1.1
227.10704	1.4
229.08603	4.5
231.06523	4.1
231.10150	22.6
233.04488	2.6
243.10211	1.2
245.11726	52.2
250.56729	0.6
253.08640	0.8
255.10181	8.3
267.05014	3.9
271.09622	9.0
273.11148	6.8
275.06039	1.3
275.09155	22.4
281.08136	1.3
289.10751	12.5
293.06659	4.3
299.09183	18.3
301.03168	0.6
312.27509	0.6
317.10181	21.3
335.11261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26857	0.3
57.07086	3.0
58.06609	0.5
70.06600	10.5
71.08615	1.6
72.08138	1.5
84.08137	1.9
85.10180	0.5
86.09691	1.7
88.07639	4.4
89.06014	0.4
102.09171	2.2
114.09180	0.5
120.81230	0.4
124.18517	0.3
132.10213	12.2
133.34079	0.4
146.11763	11.9
184.20642	2.7
210.22153	1.6
228.23230	15.9
272.25842	69.2
273.46683	0.3
316.19968	0.5
319.78476	0.5
334.29520	100.0
351.74127	0.4
356.35587	0.3
356.61890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10378	1.0
54.57756	1.0
70.06586	2.9
72.08136	1.5
84.08159	2.4
86.09704	1.2
95.06104	15.7
191.52028	1.5
230.10124	1.3
232.10884	10.4
257.34875	1.3
261.16058	4.8
273.19626	1.6
288.61487	1.2
291.18173	6.9
312.01028	1.4
317.18585	9.3
335.07401	100.0
335.15894	5.9
335.19675	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	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39203	0.5
54.31581	0.5
55.05506	4.3
55.25478	0.5
56.05017	2.8
57.07067	3.7
60.04532	96.2
67.05518	6.8
67.49059	0.6
69.07070	5.9
71.08628	1.2
72.04510	2.8
72.12500	0.6
74.06068	1.1
79.05483	4.1
80.06469	0.6
81.07061	11.4
82.06579	1.4
83.08620	8.1
91.05470	1.0
93.07023	2.7
95.08607	13.7
97.06519	1.5
97.10162	3.5
102.05534	4.4
105.06986	0.9
107.08569	1.2
109.10152	6.9
111.11628	0.6
119.08559	0.9
121.10130	1.0
123.11700	3.1
135.11674	0.9
230.15356	0.6
250.25308	2.5
262.25375	2.7
280.26312	9.2
298.27380	10.1
316.28452	36.1
316.32120	1.4
334.29529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80262	0.7
55.05500	1.4
56.05029	1.6
57.07069	1.5
59.38910	0.7
60.04532	100.0
67.05508	6.9
69.07071	7.3
71.08596	1.0
72.04494	3.6
74.06064	1.6
79.05500	1.6
80.05005	1.4
81.07063	14.8
83.08615	8.5
84.04545	1.1
84.97531	0.9
85.10187	1.1
89.90643	0.8
91.05499	0.8
93.07033	4.0
94.06544	1.2
95.08611	16.8
96.38642	0.8
97.10177	3.3
102.05534	5.6
105.06976	1.1
107.08549	1.4
109.10148	8.4
119.49394	0.8
121.10132	3.5
123.11700	2.0
137.13312	1.1
237.96561	0.9
250.25311	3.6
262.25211	1.9
280.26355	12.9
280.98694	0.8
298.27475	8.6
298.37140	0.9
316.28436	34.8
334.29514	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65052	0.3
52.93786	0.5
56.05027	2.4
57.07066	2.8
58.06612	6.1
60.04532	0.6
62.06075	0.5
68.04989	0.5
71.08643	0.7
72.08167	0.9
74.06096	5.0
85.10211	0.6
86.06075	4.9
88.07632	13.7
88.24499	0.4
89.09135	0.5
100.07605	0.6
104.07118	5.0
118.08654	1.0
132.10201	4.4
162.11232	2.8
166.10771	4.4
210.22037	0.5
217.42909	0.5
242.24774	41.6
254.24637	0.6
286.27386	15.4
316.28458	2.6
334.29517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07027	0.3
56.05042	3.1
57.07069	2.5
58.06604	6.3
58.08179	0.5
60.04527	0.6
70.06566	0.6
71.08620	1.5
72.08152	0.5
74.06081	4.6
75.04482	0.4
86.06067	5.0
87.21809	0.3
88.07111	0.6
88.07634	15.5
100.07583	0.6
104.07101	4.8
118.08615	1.3
132.10210	4.9
155.12921	0.3
162.11226	2.9
166.10757	3.7
210.22118	0.4
212.52328	0.5
228.23213	0.5
242.24771	41.0
254.24739	0.8
265.56580	0.4
286.27399	14.7
316.28467	2.5
334.29504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19455	0.3
58.06599	2.3
70.06597	2.9
72.08138	2.0
79.53780	0.4
83.68002	0.3
84.08151	6.9
85.02909	0.4
98.09704	0.5
99.05590	14.1
101.58821	0.4
103.85917	0.4
107.04971	6.2
110.07086	0.4
112.07616	3.5
117.17608	0.4
126.09157	2.9
127.05033	6.1
130.08647	1.4
131.72290	0.4
134.60164	0.3
141.10271	0.6
146.06009	2.1
149.08427	0.7
150.09152	13.9
150.10344	0.5
155.11792	1.7
156.13852	2.6
160.07574	10.5
163.03859	0.8
177.10231	5.0
181.09650	0.4
182.10509	2.2
183.09734	0.5
183.11310	9.4
187.08592	0.6
188.07112	1.9
202.12350	0.6
202.14301	0.7
205.09746	5.0
216.13840	0.4
227.16228	0.4
233.09210	5.6
261.16058	5.6
289.15485	47.6
290.50342	0.4
302.60925	0.4
303.17120	0.5
334.21283	100.0
345.15726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69566	0.4
51.89462	0.4
55.05502	1.4
58.78902	0.5
70.06582	2.2
72.08162	32.6
83.08609	0.5
86.09692	2.1
92.18430	0.7
97.07641	3.1
108.58582	0.5
110.07183	6.0
114.10294	43.9
115.08725	5.8
128.87587	0.7
154.08669	1.0
155.07002	0.7
162.05499	52.6
163.03894	5.4
172.09666	1.2
175.08691	2.5
176.07083	2.9
203.08191	2.4
204.06557	14.9
221.09209	2.4
243.42647	0.6
264.13306	0.6
274.15485	12.9
275.13901	37.6
313.66885	2.8
317.16040	10.8
334.18735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1654
Annotation	Spartioidine
Peak:m/z	Relative Intensity
50.87122	0.2
55.03696	0.2
72.08147	0.4
72.88143	0.3
74.83461	0.3
92.17805	0.3
108.10513	0.2
108.72400	0.2
115.05538	0.3
122.76884	0.3
128.36852	0.3
143.04988	0.3
151.02853	0.2
213.05420	1.8
220.88029	0.2
231.06514	41.7
275.09134	100.0
294.21594	0.3
313.55795	0.3
334.16479	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04818	0.5
55.13068	0.5
55.70318	0.4
58.06583	2.4
71.07373	2.2
90.87607	0.6
90.88218	0.5
119.21370	0.5
146.05916	0.7
160.07578	63.0
161.08324	0.7
172.07573	0.9
172.11220	2.8
173.08389	2.6
174.09096	8.0
176.07147	1.0
176.10664	0.7
177.97105	0.5
186.09138	25.1
187.08597	1.8
187.09982	11.1
188.09340	0.7
189.11449	2.4
198.09193	0.6
199.09933	0.9
201.10297	3.4
203.09488	1.2
203.11748	1.3
215.11819	6.2
216.12593	21.2
217.13385	3.8
233.12889	4.0
244.13246	0.9
247.14468	2.4
248.15157	15.2
286.16821	0.6
301.19144	3.5
333.21741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32526	0.4
55.05504	0.5
56.05039	0.6
57.08470	0.5
67.05489	0.6
70.06235	0.5
70.06596	11.4
71.06951	0.6
72.08155	3.9
75.42078	0.5
81.07058	1.2
84.04494	0.7
84.08143	7.8
85.02895	1.1
86.09702	4.0
87.04461	0.6
93.07079	0.6
95.08574	0.5
110.09683	0.6
116.07112	3.6
120.08070	0.6
128.07057	0.7
129.10214	2.0
130.04973	0.9
130.08624	3.0
136.07588	2.3
137.06001	0.5
138.12753	1.0
140.14362	8.5
143.08171	2.2
156.13852	30.0
163.03842	0.7
169.06100	0.6
177.05580	0.8
184.13341	1.0
185.07077	3.1
186.14905	0.8
187.04947	1.0
189.06660	1.2
200.03398	1.1
202.14391	17.1
203.06572	0.9
203.08109	4.4
211.05217	0.8
217.09814	0.8
229.06084	13.6
230.08156	0.8
239.04474	0.6
244.09785	1.1
244.15366	0.8
247.07123	9.8
248.14931	3.8
257.05521	9.4
270.08737	4.7
274.08273	3.8
275.06625	100.0
281.05557	2.1
288.14447	2.9
289.08081	4.4
298.08234	8.6
316.09381	5.0
316.12811	0.6
316.18448	0.6
317.07700	96.9
334.10312	88.6
334.14780	21.3
334.18768	4.5
334.21826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2176
Annotation	Nitropyrrolin D
Peak:m/z	Relative Intensity
53.58550	0.3
55.61017	0.3
58.06590	1.4
68.05020	0.4
70.06586	2.0
75.29893	0.3
93.07053	0.4
95.08617	0.6
96.08134	8.2
98.06057	0.3
115.07563	1.4
120.08118	2.0
120.61462	0.4
124.07596	0.5
124.11221	0.6
128.07053	0.6
130.06557	0.4
130.08620	2.1
132.08121	0.6
134.09669	2.7
134.56364	0.3
142.08624	0.7
144.08096	6.3
144.10185	2.1
145.08847	0.5
146.09657	1.5
148.11224	1.3
152.10683	1.9
156.10188	3.4
157.08865	1.6
158.09654	11.8
167.84378	0.3
168.08075	0.4
170.09607	1.5
170.11769	1.3
171.10390	0.8
172.11218	3.6
173.10713	0.4
174.12798	1.9
180.10179	0.4
182.09677	1.9
183.10481	0.4
184.11232	5.3
184.13333	8.3
186.12743	2.6
188.10745	0.4
196.11221	6.9
197.12048	0.6
198.12878	0.5
199.12346	3.9
200.13094	2.0
201.13840	2.1
207.73196	0.3
212.14436	0.4
213.13857	3.3
217.16960	0.4
224.14360	3.1
227.15446	7.0
228.16162	0.5
235.05458	0.3
240.13817	0.4
244.13358	1.9
245.16502	12.1
252.13898	1.4
255.18596	1.3
256.13522	0.3
258.14856	1.8
270.14871	2.0
272.16302	1.6
276.15735	0.4
283.18094	2.2
284.16455	9.5
285.16119	0.4
287.17514	3.9
300.18307	0.4
301.19211	3.3
302.17532	0.7
313.19128	2.4
315.20679	43.3
333.21725	100.0
341.85358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2172
Annotation	Nitropyrrolin D
Peak:m/z	Relative Intensity
52.81948	0.4
54.32636	0.3
58.06588	1.9
70.06593	3.2
72.08136	0.6
75.95834	0.4
79.96833	0.4
83.04942	0.4
84.08168	0.4
94.06606	0.5
96.08124	8.9
115.07547	0.5
120.08089	2.2
121.04126	0.5
130.08667	0.7
144.08084	3.8
144.10164	2.5
146.09653	0.7
156.10194	0.7
158.09656	7.2
170.09602	1.7
174.12785	10.3
182.09648	0.9
184.11243	3.1
184.13223	0.9
186.12761	3.1
188.10706	2.0
196.11218	3.2
199.12334	1.9
200.13086	0.9
213.13829	2.2
217.17001	2.5
224.14320	0.9
227.15428	5.8
239.23521	0.5
244.13380	1.1
245.16481	73.0
245.58160	0.5
270.39606	0.4
272.16370	0.8
283.17963	0.8
284.16455	3.3
315.16962	0.5
315.20679	30.2
333.21713	100.0
354.99423	0.4
357.12292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2174
Annotation	Nitropyrrolin D
Peak:m/z	Relative Intensity
58.06609	0.9
60.04529	2.2
65.77137	0.4
67.05502	1.9
68.05051	0.6
68.44501	0.4
68.94173	0.4
70.06596	4.5
72.04542	0.4
72.08154	2.9
75.58919	0.4
84.04515	0.9
84.08143	5.7
86.09708	4.7
87.10065	1.6
90.86810	0.4
93.07066	0.5
95.08620	1.7
96.08136	7.7
98.06084	0.7
109.06586	0.5
110.09709	0.5
114.09158	4.4
115.07574	0.8
116.07102	0.5
120.08110	2.7
123.08087	0.5
124.11231	0.6
128.07076	0.7
130.04950	0.6
130.06508	0.6
130.08688	2.1
132.08101	0.8
134.09685	2.2
142.08646	0.9
143.11819	2.6
144.08107	5.5
144.10233	1.9
146.09683	0.6
148.06038	0.7
148.11273	0.5
152.10754	0.9
156.10240	2.9
157.08859	0.9
157.13359	0.5
158.09659	10.4
158.13728	0.6
170.09610	0.9
172.11177	3.7
174.12799	1.8
182.09673	2.4
184.11353	4.1
184.13300	7.3
186.11366	0.9
186.12802	3.5
188.10667	0.6
189.12549	0.5
194.09709	0.4
196.11186	6.9
199.12314	3.1
200.12991	1.6
201.13853	2.5
202.08244	0.5
213.13931	2.4
214.12169	0.4
218.81177	0.5
220.10831	7.9
224.14391	2.6
227.15446	5.9
240.13779	0.6
244.13443	1.8
245.16432	9.3
252.13896	1.7
255.18567	0.8
258.14886	0.9
270.14908	2.1
272.16461	2.1
283.17886	1.6
284.16431	8.1
285.16058	0.8
287.17505	3.9
297.32504	0.6
301.18945	3.0
302.17487	0.8
313.19247	2.0
315.16690	1.3
315.20633	41.8
324.74460	0.5
333.18961	7.1
333.21817	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	333.2065
Annotation	PGB3
Peak:m/z	Relative Intensity
67.05498	1.4
69.03448	0.5
69.07055	0.6
70.06569	0.3
70.69436	0.3
71.04978	0.4
73.94209	0.3
74.10822	0.4
78.22843	0.3
79.33605	0.3
81.03416	0.6
81.07055	2.2
81.07485	0.3
83.04923	0.4
83.08628	0.4
85.02885	0.4
85.06540	1.7
87.10566	0.4
91.05489	0.5
93.07027	1.3
95.08598	2.4
96.69295	0.4
105.06995	0.7
107.08591	1.3
109.02927	0.6
109.10146	1.8
119.08568	0.6
121.06464	0.5
121.10139	4.7
123.11707	0.4
125.09585	0.5
127.03920	0.6
131.08578	0.4
133.10152	0.5
135.08063	0.6
137.05940	0.6
145.06442	0.5
145.10110	0.6
147.04395	3.1
147.08047	0.7
149.05986	26.6
149.09615	0.5
159.08089	1.4
161.05983	10.5
161.09618	1.7
167.07011	0.8
171.08000	0.8
173.09569	0.6
175.07535	19.4
177.09074	0.5
179.06979	1.8
185.09602	1.6
187.11142	2.1
197.09587	0.5
199.11195	1.6
201.09149	0.5
206.89922	0.4
211.11198	3.0
213.12831	0.7
215.10693	1.8
218.02917	0.4
223.11127	0.5
225.12703	0.5
229.12222	0.8
241.12279	0.6
241.15953	0.5
243.21025	0.5
252.14322	0.4
269.15302	0.6
271.16925	0.4
279.17502	1.7
285.18695	0.5
287.16431	24.2
287.19669	1.1
297.18457	2.7
315.19553	58.4
333.20602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2063
Annotation	PGB3
Peak:m/z	Relative Intensity
54.18691	0.3
55.01877	0.3
55.05509	0.6
69.07052	0.5
70.87890	0.3
72.08144	0.3
79.05463	0.3
81.07048	1.4
83.08624	0.7
85.06543	0.8
87.15343	0.3
87.98862	0.3
88.45863	0.3
93.07039	0.5
95.08607	4.2
99.08132	0.3
107.04951	0.4
107.08602	2.7
109.06509	0.4
109.10157	1.9
113.09612	1.4
119.08632	0.6
121.10117	1.5
133.06514	0.5
133.10118	0.5
137.05960	1.6
145.06467	0.8
147.04335	0.4
147.07988	0.6
149.05989	14.6
149.09648	2.5
157.06499	0.6
159.08070	1.5
159.11656	0.3
161.05968	5.3
161.09581	2.1
162.05446	0.7
163.07623	0.4
167.07019	2.2
171.08110	0.5
173.05937	0.4
173.09541	0.7
175.07545	14.7
175.11244	0.5
177.09099	1.4
179.06998	1.5
181.92444	0.3
185.09531	0.7
187.07515	1.8
187.11220	1.8
189.09109	1.5
190.38306	0.3
191.10652	0.5
199.07526	0.8
199.11191	1.8
201.09132	3.1
201.12810	1.4
203.10692	1.4
205.08583	0.6
205.12192	0.4
209.13208	0.4
211.11200	1.3
213.09114	0.6
213.12770	1.7
215.10709	2.3
219.10176	8.6
223.11154	0.4
227.10753	3.2
227.14261	1.6
229.12273	0.8
237.12785	1.5
241.12218	0.8
245.11789	0.7
255.13799	2.0
255.17462	1.3
257.15305	0.7
269.15292	1.4
269.19034	1.6
270.26971	0.3
273.18518	0.5
279.17575	0.6
287.16440	10.7
287.19650	0.7
297.18539	4.2
315.16425	1.2
315.19537	38.4
333.20596	100.0
341.93271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2061
Annotation	PGB3
Peak:m/z	Relative Intensity
54.52709	0.8
67.05470	1.0
74.09727	1.1
79.71671	0.8
81.07051	1.2
92.18456	1.9
93.07058	1.1
95.08607	4.4
105.07045	1.1
107.04905	1.2
107.08583	1.1
131.04913	11.4
137.05864	1.3
143.08539	0.9
145.06564	1.4
149.09526	1.1
161.05983	5.2
161.09644	1.6
177.09224	1.5
185.13014	1.4
187.11162	5.1
199.11168	3.9
201.09131	1.6
201.12669	1.2
211.11142	8.6
213.12782	2.0
215.10686	2.1
229.12125	1.0
237.12775	1.7
241.12102	1.0
243.13794	1.8
255.13821	1.3
255.17403	2.1
277.67029	1.0
297.18555	3.4
314.23624	0.9
315.19571	100.0
333.17654	2.7
333.20645	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	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
92.18421	3.4
135.08136	3.9
220.13307	5.4
221.56461	3.4
279.44812	4.5
313.82385	3.4
333.20496	100.0
333.24326	16.9
333.31863	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	333.204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81395	0.4
64.61926	0.5
66.47487	0.4
78.43502	0.4
87.04476	31.0
88.04808	8.2
93.07062	0.5
125.77742	0.5
145.10146	0.7
179.41664	0.5
209.37689	0.5
315.19379	14.9
333.20380	100.0
333.28308	15.0
334.17044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87875	3.5
55.60434	3.7
56.32900	3.5
62.00595	4.1
74.13274	4.3
85.39312	4.7
92.18475	4.8
107.83710	4.4
115.75752	4.7
137.06062	5.4
138.28464	4.4
167.07040	6.4
241.08136	4.3
249.64037	4.6
333.16629	8.7
333.20355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03517	0.5
73.02158	0.7
172.63913	0.7
214.76271	0.7
269.17996	0.7
333.20367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09263	0.7
63.77966	0.6
69.07059	0.8
71.64705	0.6
76.79428	0.7
78.25662	0.7
88.82410	0.7
108.02119	0.6
119.08607	0.8
123.27541	0.7
131.08513	0.9
132.66809	0.7
145.10118	1.3
239.04494	0.7
269.10818	1.4
301.52805	0.8
315.19644	1.1
333.20386	100.0
333.23895	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	333.1808
Annotation	Isoxaben
Peak:m/z	Relative Intensity
55.05523	0.6
57.03434	0.5
61.86196	0.5
62.62415	0.4
67.05489	0.5
67.36623	0.4
69.03443	0.8
69.07058	0.5
70.06593	0.9
70.53679	0.4
72.08162	7.4
73.08478	0.6
79.05496	0.5
81.03413	2.1
81.07065	0.5
81.07546	0.5
83.04977	1.1
84.04507	0.7
84.08137	0.6
85.02895	2.7
85.06560	0.7
86.09715	7.8
87.00834	0.8
87.10036	2.9
95.06103	0.9
97.02890	1.1
97.06462	0.4
101.05981	1.0
102.05547	0.8
109.02893	0.8
109.06508	1.0
111.04417	0.7
116.15757	0.5
117.59602	0.4
120.08093	2.6
121.08204	0.5
121.08913	7.2
122.09633	0.9
123.04361	0.5
127.03847	1.6
130.04965	0.5
132.10222	0.9
133.10561	0.9
134.68929	0.5
137.05991	24.3
144.08057	2.6
145.04987	1.1
155.08218	0.9
157.08850	1.0
158.09677	0.9
160.07564	3.2
162.09129	2.3
165.12852	0.5
167.07043	29.3
170.09663	0.5
173.05869	0.5
174.09184	3.7
175.31979	0.4
184.07364	4.4
184.11047	0.5
186.16782	0.6
194.08084	0.7
201.05475	0.7
201.07890	3.3
201.09975	0.5
202.08859	0.6
203.09398	0.6
214.16411	1.7
217.09761	4.6
218.10638	0.9
226.12256	0.6
231.11298	3.6
232.12077	33.2
233.12845	13.5
243.11328	5.2
245.04341	0.7
256.13327	0.6
272.13004	0.5
276.15973	0.5
288.09949	2.1
297.15964	1.8
303.17035	2.8
315.17102	9.1
315.20755	1.6
333.14755	4.8
333.18094	100.0
333.21463	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	333.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16572	0.5
84.08164	0.7
92.09949	0.7
114.09138	0.9
137.05984	4.7
143.11774	1.0
147.06776	2.6
160.07576	25.8
167.07031	4.1
173.08379	20.1
174.09146	1.5
176.10747	1.1
186.09149	51.1
187.09938	19.1
201.10187	4.0
203.09409	3.3
204.12553	1.3
215.11830	2.3
216.12590	49.0
217.13377	6.7
218.14148	17.6
219.11334	0.9
234.13539	0.9
246.11299	4.6
258.11243	7.4
272.12778	8.8
315.17126	1.4
333.18103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06100	98.7
69.35013	5.9
76.15849	5.5
81.07043	11.0
88.04012	10.5
95.08610	12.2
147.11694	6.8
286.22903	7.4
291.19540	9.7
296.25858	14.7
311.64978	39.5
314.26953	38.9
332.19312	28.4
332.27966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1336
Annotation	Combretastatin A1
Peak:m/z	Relative Intensity
51.27738	0.7
53.77204	0.7
55.05522	0.9
58.06603	1.5
60.05701	0.8
60.69660	1.0
64.32603	0.9
69.03429	2.1
70.06598	1.8
72.08150	1.3
79.05492	1.5
86.09683	1.4
86.75108	0.8
91.05479	6.6
93.07056	3.9
95.04981	1.1
95.08644	1.3
99.04407	1.9
105.07045	5.4
107.04982	7.5
111.40673	0.9
119.04942	6.8
120.08102	4.6
121.06515	14.9
121.08884	14.0
122.09675	5.8
123.04451	2.2
133.06485	6.0
135.08051	1.4
137.05997	4.7
144.08043	2.0
144.12308	1.1
145.06511	1.0
147.04424	2.2
148.07571	1.8
149.05975	2.2
151.07603	1.7
153.05498	10.5
153.06969	3.8
157.08897	4.1
158.09729	3.5
161.05983	3.8
165.06993	1.5
167.07057	24.1
167.08455	2.9
176.07060	5.2
177.07042	1.2
179.07027	4.2
181.05040	1.7
181.06525	12.3
181.08594	20.6
182.07315	1.7
183.08054	4.3
185.09666	1.9
193.08559	8.6
195.08078	6.4
198.06758	4.0
198.09142	1.3
199.07477	1.5
206.09485	1.7
208.05191	1.1
209.06001	5.0
211.07436	2.0
212.08261	1.9
213.09087	15.0
215.11868	10.1
218.14236	2.2
223.07495	1.8
225.05469	1.2
226.06207	3.5
227.07100	5.0
227.11824	1.6
232.91982	1.1
240.07695	1.3
241.08569	13.1
243.06561	3.9
245.11720	2.1
253.04997	1.3
255.10217	1.6
258.08832	1.8
269.08127	6.6
269.16580	4.4
271.06064	4.1
273.11215	16.9
283.09799	1.7
285.07602	1.4
286.08432	2.1
287.12527	1.1
301.10724	26.3
302.11304	2.1
302.14255	2.1
303.08475	1.1
305.13834	1.8
315.13132	2.8
315.17029	42.7
315.20435	1.8
318.11011	3.9
333.13394	51.1
333.18091	100.0
333.21405	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	332.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06721	0.3
53.32433	0.3
58.00706	0.4
74.70757	0.3
81.15981	0.4
87.04475	100.0
104.07112	0.6
110.15368	0.4
134.36215	0.3
137.53900	0.4
186.14554	0.3
242.24670	0.5
284.25876	1.7
332.27951	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68612	2.5
70.06593	13.2
77.44445	2.1
84.08842	2.3
88.07645	40.7
94.59503	2.4
95.08627	2.7
118.76942	2.3
132.10211	9.8
133.08488	2.5
136.66510	2.6
150.11258	38.7
213.51514	2.6
226.21681	2.8
227.20078	4.0
229.07549	3.7
269.10663	5.7
270.24274	100.0
288.57050	2.9
302.49942	2.4
310.01083	2.6
314.26849	16.5
332.28128	27.0
351.58292	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	332.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44155	0.4
71.08645	0.6
71.57607	0.5
87.04469	100.0
88.07659	0.6
104.07164	0.6
113.45976	0.4
149.32208	0.5
177.51791	0.4
242.24550	0.5
284.25854	1.0
332.27960	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.4
56.05045	5.4
58.06605	2.6
62.37859	0.6
67.05511	1.3
69.07059	0.7
69.15177	0.6
70.06582	1.5
72.08161	39.3
73.04010	0.7
74.06085	20.1
74.62675	0.7
77.17189	0.7
79.05478	1.0
81.07073	1.2
83.08629	0.8
83.62517	0.6
84.04503	4.4
84.08152	1.4
85.02921	0.7
86.06065	5.0
86.09707	12.7
87.04476	5.6
88.03954	1.2
91.05437	0.8
93.07005	1.5
95.08590	0.8
97.06538	1.1
98.06068	11.0
101.07150	25.0
102.05537	0.9
104.07144	1.1
105.07014	0.9
107.08574	1.6
109.10194	0.9
110.09649	1.4
112.07584	0.8
112.11232	1.3
119.08569	1.0
120.08109	1.1
121.10136	1.2
126.05511	5.0
128.10710	19.1
129.10242	8.8
131.08595	0.8
132.10185	3.3
138.09134	1.1
149.09618	4.0
151.03850	1.4
152.04211	0.9
155.11803	2.6
156.13971	0.7
165.12651	0.7
170.11786	3.4
173.12859	100.0
183.11215	0.8
184.13292	1.1
187.14383	1.2
193.12370	0.8
201.12343	58.8
207.06491	0.8
208.06932	2.2
215.13858	1.1
224.16423	1.1
231.17108	0.8
234.14880	1.0
252.15872	6.7
258.17111	1.4
270.17072	1.0
278.17593	0.9
288.18036	9.4
314.19678	13.3
332.16849	1.4
332.20828	16.3
332.25180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.4
56.05045	5.4
58.06605	2.6
62.37859	0.6
67.05511	1.3
69.07059	0.7
69.15177	0.6
70.06582	1.5
72.08161	39.3
73.04010	0.7
74.06085	20.1
74.62675	0.7
77.17189	0.7
79.05478	1.0
81.07073	1.2
83.08629	0.8
83.62517	0.6
84.04503	4.4
84.08152	1.4
85.02921	0.7
86.06065	5.0
86.09707	12.7
87.04476	5.6
88.03954	1.2
91.05437	0.8
93.07005	1.5
95.08590	0.8
97.06538	1.1
98.06068	11.0
101.07150	25.0
102.05537	0.9
104.07144	1.1
105.07014	0.9
107.08574	1.6
109.10194	0.9
110.09649	1.4
112.07584	0.8
112.11232	1.3
119.08569	1.0
120.08109	1.1
121.10136	1.2
126.05511	5.0
128.10710	19.1
129.10242	8.8
131.08595	0.8
132.10185	3.3
138.09134	1.1
149.09618	4.0
151.03850	1.4
152.04211	0.9
155.11803	2.6
156.13971	0.7
165.12651	0.7
170.11786	3.4
173.12859	100.0
183.11215	0.8
184.13292	1.1
187.14383	1.2
193.12370	0.8
201.12343	58.8
207.06491	0.8
208.06932	2.2
215.13858	1.1
224.16423	1.1
231.17108	0.8
234.14880	1.0
252.15872	6.7
258.17111	1.4
270.17072	1.0
278.17593	0.9
288.18036	9.4
314.19678	13.3
332.16849	1.4
332.20828	16.3
332.25180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79063	0.5
55.05510	0.5
56.05025	0.5
60.04528	0.8
62.06100	1.5
62.28874	0.5
67.05492	2.9
69.06712	0.7
69.07074	21.1
72.08134	2.4
73.06540	1.1
79.05469	0.8
80.91250	0.4
81.07038	2.7
82.06548	0.5
84.04490	2.8
84.08139	1.1
84.67695	0.5
85.02913	3.7
86.06064	4.7
88.04008	0.6
90.91531	0.4
93.07020	2.0
95.08610	15.8
96.08095	0.8
97.06512	2.7
98.09691	3.7
99.03496	0.4
99.04440	2.4
107.04977	3.4
108.08132	0.7
109.10139	0.9
110.09648	0.6
111.08032	0.5
115.07569	0.8
116.10736	26.7
121.06506	1.0
122.09634	1.8
123.08098	0.5
135.04388	0.6
135.08064	0.9
138.09148	0.5
139.07515	0.8
141.09100	6.2
142.08658	5.7
153.05493	2.4
153.09148	0.5
154.12242	0.6
159.10114	2.0
182.11780	3.2
200.12822	100.0
212.16461	20.5
218.13901	8.9
230.17487	1.0
243.11343	0.4
275.59222	0.5
296.18555	1.1
304.16611	0.5
314.19614	17.3
332.20682	40.4
346.65875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05512	0.8
56.05035	0.9
56.38425	0.4
60.04534	1.7
60.35508	0.4
62.06108	0.7
67.05499	1.9
69.07078	17.6
70.06587	1.7
72.08149	2.5
73.06572	1.4
76.18301	0.4
79.05494	0.5
81.07068	1.6
84.04497	3.0
84.08166	0.6
85.02914	5.0
86.06091	4.7
86.09695	2.0
88.03982	0.7
93.07028	2.3
95.08071	0.5
95.08621	12.3
96.08126	1.8
97.02901	0.4
97.06543	3.2
98.09676	2.4
98.31678	0.5
99.04450	2.1
101.06046	0.5
102.31846	0.4
107.04315	0.7
107.04972	15.5
108.08096	0.6
111.08094	0.5
115.07552	1.9
116.07118	0.4
116.10735	24.0
121.06494	1.9
122.09655	1.9
123.08067	0.7
125.09641	0.4
135.04425	4.1
136.11142	0.9
138.09134	0.7
139.07539	0.8
140.10750	0.8
141.09125	7.4
142.08650	5.3
153.05478	10.7
154.12254	0.9
159.10216	0.8
182.11746	3.8
194.15361	0.5
200.12833	100.0
212.16457	22.2
218.13889	7.1
230.17566	1.8
296.18658	1.0
313.93634	0.5
314.19635	17.4
332.20697	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	332.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.9
55.05514	2.0
56.05051	1.2
58.06602	0.8
60.04502	0.9
66.65349	0.8
67.05520	6.6
69.03431	1.3
69.07076	11.6
70.06584	5.3
71.05000	1.2
72.08170	8.1
73.05650	0.9
74.06055	4.2
79.05477	3.4
81.03415	1.0
81.07065	8.0
84.04488	3.9
84.08165	3.2
85.02879	3.3
86.05579	1.2
86.06074	23.4
86.09710	21.7
87.04475	19.8
88.03996	1.8
93.07039	5.9
95.08605	9.4
96.08151	1.1
97.06546	6.0
98.06056	49.2
98.09674	1.4
99.04478	1.1
101.02363	1.7
101.07124	3.4
102.05504	1.1
104.07084	4.8
107.08575	5.5
108.08125	1.0
109.10148	5.7
111.08088	0.9
112.07603	1.9
116.10723	17.6
118.08681	1.1
119.08562	1.2
120.08128	0.9
121.10145	10.2
124.07594	1.5
125.09599	1.7
126.05515	21.5
131.08528	1.1
135.08070	1.5
138.09129	1.0
139.11169	3.3
141.09109	4.8
142.08618	7.1
142.12276	1.2
142.17204	0.9
144.06523	1.4
147.08061	0.9
149.09622	16.4
154.08611	4.6
157.08614	3.0
166.12279	6.5
167.10742	1.8
180.10179	1.2
182.11760	1.8
184.03960	2.0
184.13338	12.1
187.14461	10.4
198.05511	3.8
198.11276	6.8
200.12820	51.7
201.12398	1.0
202.14403	3.5
206.15416	5.7
211.13243	1.0
212.16464	10.2
214.18040	20.1
215.13928	11.0
218.13826	5.1
219.13335	3.4
224.16531	9.4
226.04991	8.8
226.35919	0.9
234.14801	6.5
244.06038	32.3
252.15921	33.2
270.16983	1.5
272.53149	1.0
288.18054	59.6
296.18604	1.5
313.37918	1.0
314.19620	37.6
315.13275	4.6
328.86526	1.0
332.16135	16.6
332.20645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05726	0.8
55.05521	1.6
56.05043	1.2
60.04529	9.8
67.05506	3.6
69.03440	1.3
69.07073	2.0
70.06588	3.2
72.08154	4.3
75.97504	0.8
79.05486	1.5
80.05038	0.8
81.03418	6.8
81.07066	4.8
83.04992	1.7
83.08612	2.9
84.04496	4.7
85.02913	1.0
86.06072	21.5
86.09712	44.0
87.03996	1.2
87.04475	20.6
87.05608	6.3
89.38802	0.7
91.14161	0.7
93.07023	3.2
95.04967	1.1
95.08575	2.8
97.06535	5.4
97.10155	1.2
98.06058	7.6
100.07627	0.9
102.05530	3.8
103.05147	0.7
104.07108	21.4
105.07041	1.4
107.08608	1.3
108.60567	0.7
109.10117	0.8
112.07587	5.6
119.08587	1.8
121.10172	3.5
124.07616	1.5
125.09629	1.0
126.05550	0.9
128.07083	10.0
128.10724	4.2
130.13567	0.7
131.08530	0.8
132.10213	4.5
133.10175	0.9
135.08075	0.9
142.08635	3.4
146.08136	20.0
147.11682	4.0
149.09633	11.8
157.10179	1.0
158.08116	6.5
165.12723	1.5
166.12274	1.6
173.11357	1.9
173.12854	45.2
175.11159	5.2
179.12964	0.8
182.15370	1.5
184.13335	1.4
193.12242	7.1
195.13829	3.9
201.12367	17.5
210.14903	10.5
211.13268	8.9
219.13489	1.8
228.16011	1.7
230.17442	1.0
253.47813	0.8
260.16403	1.1
268.19229	0.8
270.16971	11.3
278.17542	4.0
288.18195	3.3
296.18616	5.1
314.19617	100.0
332.15540	1.8
332.20786	20.1
332.24396	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	332.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95173	0.8
55.05510	6.4
55.91112	0.8
56.05026	4.2
58.06587	1.7
59.94321	0.8
67.05498	4.5
69.07071	1.5
70.06607	7.9
71.05013	1.3
72.08163	76.4
74.06087	31.4
74.84937	1.0
79.05496	2.5
81.03430	2.2
81.07076	7.8
83.08614	1.6
84.04506	9.6
84.08121	5.3
85.02903	1.4
85.94067	0.9
86.05569	1.8
86.06073	38.6
86.09706	10.6
87.04471	33.9
91.05477	2.1
93.07033	7.9
95.04937	1.4
95.08617	1.6
97.06520	6.2
98.06060	86.4
102.05529	2.0
104.07112	16.1
105.07034	1.7
107.08579	4.8
109.10181	1.5
111.08036	1.7
111.09210	2.0
112.07587	4.6
119.08544	1.9
120.08080	1.2
121.10139	11.0
124.07596	2.1
125.09586	1.1
126.05527	32.7
128.10713	20.0
129.10249	1.1
131.08540	6.2
132.10243	9.2
135.11674	1.6
136.06158	1.8
138.09155	4.4
138.12737	1.9
139.11183	6.7
140.07060	2.5
142.08617	5.1
147.11708	1.9
149.09636	35.7
154.08589	5.9
155.11850	1.2
158.08128	2.3
166.12305	13.2
167.10651	2.1
169.13239	1.2
170.11801	2.1
173.12865	18.5
175.11195	1.3
177.05414	1.4
183.11293	1.1
184.13310	22.1
187.14441	6.4
193.12201	4.2
197.12814	1.3
201.12331	43.2
202.14471	2.0
206.15436	9.5
210.14909	2.4
211.13289	3.8
215.13857	1.2
224.16458	15.2
233.14984	21.9
234.14815	10.4
252.15929	48.8
260.16425	1.4
270.17102	11.2
278.17422	4.9
288.14807	2.6
288.18069	77.7
296.18759	2.5
314.15866	1.6
314.19614	84.6
332.17282	5.2
332.20709	100.0
332.60266	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	332.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.3
60.56248	0.6
67.05493	0.8
67.07926	0.9
69.07068	8.0
70.06592	1.0
72.08146	3.9
77.06850	0.8
79.05489	6.1
81.07056	4.7
83.04986	1.5
86.09723	0.9
89.28244	0.7
91.05482	19.9
93.07054	7.5
95.04965	1.3
105.07053	20.6
107.04957	1.5
107.08582	4.4
109.06519	5.4
109.10160	1.2
119.08581	12.7
121.10165	1.0
122.02744	9.4
125.06011	4.4
131.08563	6.4
133.06505	1.3
133.10138	100.0
137.05984	7.4
147.11693	24.6
147.12788	1.3
149.09581	0.8
151.07527	6.3
151.11203	15.5
155.07022	4.4
157.10165	1.1
162.09927	0.8
167.07040	0.9
170.09598	1.5
171.10023	4.0
175.11166	9.2
179.86255	0.8
193.12248	33.1
211.13228	10.1
225.03851	1.0
250.12704	1.1
254.12167	1.2
297.11646	3.3
314.14172	6.7
315.09338	1.4
315.12619	18.4
332.15286	22.4
332.20120	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	332.1343
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
57.03434	0.8
60.36945	0.4
61.02943	0.8
67.05509	0.5
69.03428	3.2
72.08157	0.6
73.02918	0.9
81.03438	0.9
84.08141	1.1
85.02914	6.2
86.09711	2.5
87.04463	2.2
87.10003	0.5
97.02891	2.7
99.04504	0.5
99.42025	0.5
106.06564	3.7
108.08126	100.0
109.02900	0.9
118.42467	0.5
123.06805	2.7
124.07585	7.0
127.03915	2.1
129.10260	0.6
131.13817	0.5
134.05997	6.3
136.07588	14.4
145.04938	0.6
147.11346	0.6
152.07072	80.4
154.08664	2.2
157.13373	0.6
170.08102	7.6
223.22380	0.5
257.22635	0.5
314.12369	22.3
314.16028	0.8
332.13391	82.5
332.23874	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	332.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19135	0.3
55.01872	0.8
55.05506	0.7
55.50151	0.4
61.02952	0.3
65.56081	0.3
67.05512	3.9
67.31488	0.4
69.03439	1.7
69.07079	6.8
72.08134	0.6
73.02931	0.5
73.06577	0.5
73.71812	0.4
79.05502	1.9
81.03436	0.7
81.07049	1.9
84.04493	0.6
85.02912	12.7
86.06065	0.9
86.09718	0.5
87.04475	0.8
88.03979	0.9
93.07043	2.2
95.04976	1.7
95.08616	3.9
97.02896	3.5
97.06551	0.7
97.10168	0.5
98.09698	0.8
99.04447	2.1
101.20278	0.4
105.07027	0.5
107.04964	100.0
107.08582	1.7
108.08109	0.4
109.10187	2.9
111.08107	0.5
116.10733	9.0
121.06496	0.9
122.09676	0.6
123.08143	0.5
124.07581	0.5
125.09647	1.7
127.03950	3.3
134.04433	0.5
135.04422	29.8
135.08046	0.9
141.09125	2.1
142.08667	2.4
145.04991	1.8
153.05476	71.5
153.09122	2.2
163.48621	0.4
171.10185	0.6
182.11771	0.5
196.35507	0.5
200.12827	33.8
211.05940	0.4
212.16470	8.8
218.13956	2.7
230.17484	0.5
260.88965	0.4
286.12881	0.7
287.75497	0.4
314.19614	6.9
315.10590	0.6
332.13458	2.5
332.17072	1.0
332.20728	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	332.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	2.1
70.02964	0.6
70.06603	0.4
72.08163	1.7
73.15818	0.3
74.00669	1.1
74.06101	0.3
74.93459	0.2
79.05534	0.3
81.07061	0.3
82.35031	0.2
84.04532	0.4
84.05651	0.4
84.08171	0.3
85.02950	0.4
86.09705	4.1
88.02221	0.6
88.04005	1.8
94.77082	0.3
95.04951	0.4
96.89687	0.3
97.74825	0.3
100.02208	3.0
102.05540	1.4
103.05500	0.3
105.07035	8.2
107.04922	0.4
107.08623	0.7
109.06532	0.4
111.08109	0.6
114.03752	1.7
115.05450	1.3
120.01157	1.6
120.08162	0.4
123.04433	0.6
125.09579	0.3
131.04950	1.2
132.05711	1.6
132.10201	1.1
133.05476	0.5
133.06493	13.8
133.07458	0.6
134.04478	1.4
135.08054	1.2
137.05971	1.3
139.03857	0.5
143.04921	0.5
143.06003	0.6
146.02713	5.7
147.02783	0.3
149.06001	0.6
150.01318	0.4
153.09105	3.3
155.08107	0.4
160.04243	4.2
160.05290	0.3
161.05977	23.3
163.07597	0.5
165.03716	4.1
165.09084	0.3
167.07036	100.0
169.08623	1.8
171.10129	0.5
173.09238	0.7
178.00832	0.6
178.06189	0.4
181.08615	1.0
187.10707	0.4
190.22687	0.3
192.07834	3.5
193.03198	6.7
193.08606	18.9
199.09618	0.5
199.18016	0.3
201.08763	0.5
211.09651	12.5
215.10181	0.4
223.04152	0.3
225.05777	5.6
243.06847	2.4
251.07303	0.3
268.09998	1.1
269.08234	0.3
286.12711	1.7
287.87341	0.3
314.10532	20.7
314.16760	0.6
315.08743	1.0
318.72549	0.3
332.11560	13.6
332.17249	1.0
351.72079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.00314	1.2
55.05521	9.4
57.03433	7.5
57.07087	84.7
66.41164	1.5
67.05218	1.7
67.05516	20.3
69.07075	21.6
71.08640	66.8
75.04469	1.7
81.07065	31.3
83.08627	21.2
84.55923	1.3
85.10191	37.4
89.06017	2.2
90.81223	1.2
92.18455	1.5
95.08614	48.6
97.10191	13.1
99.08090	1.5
109.10169	25.7
111.11709	2.3
121.10140	1.5
123.11713	8.9
137.13275	5.2
165.16486	1.5
173.78476	1.2
218.14258	5.1
221.22620	2.4
221.78749	1.5
231.90569	1.2
239.23688	46.1
241.29295	1.3
257.24756	6.3
285.19513	1.4
313.27386	100.0
331.20108	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	331.2846
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
54.22180	5.9
54.86397	6.0
57.07082	76.7
67.05499	11.9
69.07059	11.1
71.08633	60.8
81.07085	26.1
83.08623	10.7
85.10187	50.5
86.69640	7.2
95.08611	45.7
102.41874	7.5
109.10133	25.5
118.73949	7.4
123.11709	8.7
130.37555	7.2
135.46213	7.1
158.03453	7.2
239.23715	28.6
255.75578	7.3
313.27353	100.0
331.20868	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	331.2846
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.98849	8.7
57.07085	93.5
57.07311	9.6
58.75441	8.4
67.05508	17.3
69.07050	14.3
71.08627	98.2
77.97123	11.0
81.07056	27.6
82.89957	11.6
83.08617	17.6
85.10184	20.2
87.54271	11.4
95.08599	26.9
97.10159	12.1
100.44974	10.8
108.23417	10.4
109.10161	25.2
123.11670	14.9
125.05348	10.0
132.97945	13.3
149.47321	13.7
239.23697	52.0
298.08224	11.1
313.27399	100.0
330.31577	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	331.2845
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05511	8.1
55.89833	1.4
57.03446	3.0
57.07087	80.4
57.74635	1.3
59.28192	1.3
67.05509	14.4
69.07069	14.6
71.08231	2.5
71.08636	68.4
75.04456	2.3
78.76267	1.5
81.07059	26.8
83.08629	22.2
85.10189	39.5
95.08035	2.9
95.08611	43.6
97.10171	10.9
103.99462	1.5
109.10172	19.7
111.11737	2.8
123.11687	7.3
125.13334	1.6
137.13316	2.1
152.04225	1.5
152.96767	1.6
160.86662	1.5
170.87781	1.7
221.22681	2.6
238.15892	1.7
239.23691	44.7
244.41277	1.6
257.24765	3.4
264.82629	1.8
313.27377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29984	0.4
57.98011	0.5
60.05644	0.5
63.61519	0.4
70.06571	0.6
72.08167	26.0
72.95515	0.5
80.44027	0.5
84.05636	22.4
104.83841	0.6
138.10257	1.1
141.18233	0.6
150.09102	0.7
155.12939	3.1
155.72971	0.5
182.11804	0.5
183.10107	0.7
216.05424	0.5
224.13878	4.5
236.16690	0.7
242.15025	14.6
260.16055	21.8
264.93393	0.6
296.19647	0.8
313.22324	3.2
314.20721	1.0
331.23407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2342
Annotation	Leu Ala Lys
Peak:m/z	Relative Intensity
66.46246	0.5
67.99422	0.6
70.06593	1.0
70.95340	0.5
72.08161	25.6
77.94048	0.5
80.46425	0.5
84.05635	25.9
84.08146	0.8
86.09743	0.5
114.10303	0.5
116.30954	0.5
118.34740	0.6
119.26875	0.5
134.06035	0.5
138.10255	2.3
138.13712	0.5
147.99214	0.6
150.09158	1.0
155.12906	3.3
156.80318	0.5
197.90651	0.5
224.13976	5.0
242.14981	15.0
260.16028	19.4
296.19736	0.6
313.22275	3.4
314.20850	0.7
331.23392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19423	9.3
61.93978	11.1
67.66968	11.1
70.82718	10.7
77.11378	10.8
83.14709	11.6
84.45657	10.9
85.92015	10.2
105.16112	11.6
114.01538	10.3
119.08663	11.4
143.76518	11.9
331.22623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.6
55.50612	0.6
56.54246	0.6
58.82029	0.5
60.05641	3.0
60.89401	0.5
68.54181	0.7
69.07065	0.8
70.06603	5.8
72.05630	1.3
72.08161	55.6
72.48344	0.6
74.02408	0.6
81.07050	0.9
83.14977	0.6
84.05620	3.8
84.08150	12.3
85.06546	1.2
85.84611	0.6
89.10799	0.8
93.07048	1.2
95.04942	0.7
95.08611	1.1
96.04486	0.7
98.06055	1.1
102.06657	3.9
104.03470	2.5
107.08590	0.7
110.89760	0.6
113.09540	0.8
114.09180	1.3
114.10313	0.9
115.08719	0.6
116.07092	14.8
121.10099	0.8
125.05975	0.7
125.09626	1.3
126.10252	0.7
127.08681	1.4
130.05002	1.0
137.09644	1.0
139.11246	0.7
153.09135	1.0
155.12912	1.5
156.11356	3.4
163.03864	0.8
170.06003	1.0
196.14572	1.0
214.15515	16.2
218.13898	1.5
235.06058	0.7
236.38335	0.6
242.14903	0.9
250.13126	3.0
254.17522	6.4
260.16046	35.4
267.21912	1.4
268.20132	5.1
271.20255	0.9
272.18579	4.1
285.22861	1.3
292.90933	0.6
295.18329	2.6
313.19534	0.9
314.20746	4.0
331.20306	3.6
331.23413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2246
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
61.59362	1.6
79.59380	2.0
85.15045	1.7
102.76064	1.9
126.91393	2.2
271.09711	2.0
331.22501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57900	0.4
54.92295	0.5
58.06600	0.7
63.43468	0.5
67.16387	0.5
115.07910	0.6
127.58858	0.5
130.63669	0.6
144.47072	0.6
160.07576	37.3
161.08394	1.1
169.32462	0.6
170.09656	0.9
174.09158	1.1
186.09145	100.0
187.09933	37.4
203.11775	0.7
217.13364	3.4
218.14148	33.2
331.20169	85.7
338.50250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34617	0.6
58.06608	0.7
72.08133	0.9
77.61913	0.6
80.43098	0.7
84.95647	0.7
86.11470	0.7
86.49084	0.7
89.35718	0.7
91.05487	0.9
92.17847	0.6
93.70374	0.7
101.53877	0.7
114.12985	0.9
117.63565	0.7
121.06554	0.7
131.04942	1.0
135.11719	0.8
144.08006	0.9
149.05977	1.0
151.07542	1.1
160.07570	39.7
163.11179	0.9
170.09615	1.3
173.09602	0.8
174.09084	0.9
186.09140	100.0
187.09912	32.1
203.11922	0.8
217.13312	4.1
218.12068	1.6
218.14136	34.6
271.09796	0.9
285.18802	1.1
313.18451	0.9
331.20142	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63116	0.5
55.36106	0.6
58.06601	1.1
69.07054	0.9
96.08147	8.5
113.10783	3.1
114.09171	22.3
128.33780	0.7
133.08685	0.6
137.05984	3.8
140.10532	0.6
151.07500	2.7
160.07578	35.3
163.68625	0.6
168.83316	0.6
170.09656	1.2
174.09212	0.8
186.09146	100.0
187.08238	1.2
187.09923	35.1
195.43294	0.7
203.11905	0.7
209.16475	2.7
217.13242	4.5
218.14146	28.7
322.24841	1.5
331.20160	74.3
331.25150	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	331.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89314	0.6
55.05517	4.9
58.06596	0.7
63.46007	0.7
67.28877	0.6
69.03430	0.8
69.07064	0.7
69.69901	0.7
70.06594	7.1
72.08163	100.0
73.08469	0.7
74.06096	1.3
75.05600	1.0
81.53458	0.7
83.06121	8.1
84.04517	6.6
84.05634	1.4
84.08161	9.6
84.43825	0.6
85.02946	1.3
86.09715	61.1
89.07163	10.3
90.05565	0.8
98.06049	1.3
101.07139	3.2
101.99692	0.8
110.06007	1.0
116.07094	8.3
117.07428	0.9
123.04430	1.0
129.06622	1.5
129.10246	43.2
130.08681	1.0
132.10214	13.1
139.55193	0.7
143.11786	11.4
147.07697	2.7
153.05508	0.9
154.09760	12.0
155.08147	11.1
157.09732	9.4
157.10762	0.9
157.13391	3.7
160.07587	1.3
161.09178	5.3
162.03156	1.8
166.05006	3.7
169.04906	0.8
170.11842	1.1
171.11316	4.4
172.10838	0.7
175.10788	34.6
182.09291	2.9
183.07683	4.1
185.12863	3.7
187.14510	1.3
193.04875	0.9
195.08415	0.9
197.12782	0.9
199.04347	1.2
200.10274	12.8
203.13840	0.7
211.14482	3.6
223.05804	0.9
232.12138	3.0
234.99008	0.8
242.12885	0.7
242.14908	6.1
246.11295	5.5
256.16608	10.8
296.15768	0.8
313.18790	13.1
314.17041	4.0
322.15240	0.8
331.04922	1.0
331.05548	1.5
331.10126	23.4
331.16492	8.3
331.20248	10.2
331.23605	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1905
Annotation	Carnosol
Peak:m/z	Relative Intensity
53.90966	1.2
54.24868	1.3
61.87427	1.4
68.99124	1.3
73.68880	1.3
74.29247	1.5
91.65277	1.4
121.10125	1.5
126.24657	1.7
176.96777	1.7
187.07507	9.7
203.10637	11.1
229.12184	13.5
243.13716	18.0
285.18427	11.2
289.14261	2.1
331.11752	7.1
331.18939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1902
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
50.43560	0.4
58.31876	0.4
67.05573	0.4
67.48326	0.4
78.84802	0.4
81.07171	0.7
83.85120	0.3
86.62753	0.4
87.95353	0.4
95.08752	0.6
104.72026	0.4
107.08700	0.4
109.10228	0.4
119.08666	0.5
122.06091	0.5
124.07709	0.5
136.16151	0.4
163.04106	0.5
171.08199	0.9
185.09698	1.5
187.07648	0.7
187.11127	0.4
197.09810	0.6
199.07544	19.3
199.11278	0.6
203.10730	0.9
209.09854	0.5
211.11188	0.7
215.10648	0.6
227.10672	25.6
237.09190	0.6
239.10747	2.1
245.11728	100.0
251.10664	0.6
253.12341	0.9
257.09265	0.8
267.13901	0.6
267.17441	0.4
268.43301	0.5
285.08582	2.0
285.12167	1.6
285.18488	1.0
295.16986	6.5
313.07458	0.6
313.17978	9.5
331.08554	0.9
331.12308	3.0
331.18872	21.5
354.30020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66958	8.1
53.39122	7.6
57.07080	12.8
62.94642	8.6
71.08630	14.7
72.04521	11.3
79.05048	11.7
81.07088	13.2
95.08562	9.7
100.07639	19.2
107.95113	9.2
108.08490	8.3
112.36063	8.3
117.27580	9.5
313.17804	22.5
313.27466	11.1
331.18860	100.0
331.22479	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	331.1545
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03946	1.4
55.05516	6.2
57.03424	1.6
58.14374	1.3
60.24768	1.2
64.14266	1.4
67.05507	1.7
69.03432	6.7
71.04970	2.4
72.08163	1.9
79.05481	2.2
81.03416	3.1
81.07054	2.0
83.04999	21.6
84.08141	1.7
85.02927	3.0
87.00834	2.5
88.25026	1.6
90.84039	1.3
91.05488	16.7
93.07057	2.2
95.04955	8.1
95.08604	2.5
97.06568	1.9
99.04484	2.0
103.05469	6.5
105.07040	5.5
107.04980	3.4
109.02875	2.0
109.06527	6.3
111.08110	1.8
113.09624	1.4
114.09223	1.8
115.05566	1.5
119.04943	19.5
119.08600	2.3
121.06518	5.8
122.03667	1.7
123.08086	2.4
127.03928	3.5
129.07033	12.6
131.04939	37.6
131.08568	2.5
133.02901	1.8
135.08063	10.9
137.05992	75.7
139.07532	2.9
141.09122	2.1
143.08517	2.0
145.06454	3.2
149.06007	12.2
151.03929	20.3
151.07547	100.0
157.06487	11.6
161.05991	11.3
161.09602	6.1
163.03883	2.0
163.07549	16.8
165.05495	3.4
165.06953	3.5
165.09099	3.2
166.09778	3.2
167.07016	7.4
167.08583	8.5
174.06816	2.5
175.07542	6.5
177.05530	2.3
178.07748	2.3
179.01601	1.6
189.09087	33.0
191.07028	1.9
193.06543	2.7
193.10178	9.1
195.08046	27.2
197.08105	6.5
203.08549	2.0
207.10130	3.3
209.09740	2.5
210.06744	3.0
212.08359	1.9
221.05972	8.8
221.09584	13.6
223.07614	9.9
224.08447	1.9
225.09138	9.8
227.10661	37.2
238.06168	3.4
239.17978	1.6
239.38887	1.7
240.07828	1.7
249.09093	7.2
253.08611	15.8
253.12172	16.0
255.10081	25.4
257.19083	3.6
267.10236	6.7
269.07935	2.5
271.09763	1.4
272.10464	2.0
277.21585	1.5
281.11731	8.0
285.08527	4.6
285.11368	16.1
285.18539	8.4
287.12772	55.3
295.11670	6.0
301.14435	3.3
303.19675	2.8
313.08243	7.5
313.14322	21.1
313.17050	11.0
331.09094	4.6
331.12213	4.8
331.15503	21.6
331.19220	11.9
331.22952	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	331.1543
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
51.56832	1.0
53.11513	1.3
67.05530	1.8
70.06584	2.0
81.07071	1.4
83.32365	1.7
91.05469	9.7
93.07027	1.7
95.04974	6.8
95.08620	2.7
105.07024	2.3
107.05003	2.2
109.06523	2.0
112.22202	1.4
119.04928	12.0
121.06530	5.1
121.10168	1.8
129.07056	6.4
131.04961	3.1
133.10207	2.2
135.04414	1.4
135.08133	2.0
137.05986	41.9
137.06940	1.7
143.08603	1.4
145.06462	1.9
145.10158	1.6
149.06050	9.0
151.07549	54.2
157.06566	8.0
161.06087	5.5
163.03996	6.5
163.07567	11.9
165.07097	1.9
165.09219	3.1
167.08624	5.8
174.06796	2.9
175.07620	2.5
177.05609	1.9
177.07031	1.5
189.09109	18.2
193.06554	1.4
193.10191	2.1
195.08067	14.0
196.02419	1.3
196.08711	1.3
197.09822	2.6
200.09547	2.1
209.09726	2.7
210.06859	1.8
211.11322	2.7
221.06148	5.3
221.09747	7.9
223.07713	7.3
225.09265	9.1
227.10623	21.6
249.09068	2.3
253.08670	10.7
253.12222	9.5
255.10118	15.6
257.09213	61.7
267.10504	2.2
267.17578	3.1
269.08264	2.1
270.08917	1.8
272.10501	1.5
281.11804	2.7
285.08670	89.1
285.11249	9.2
285.18649	5.3
287.12775	36.9
301.14429	1.7
313.08221	25.6
313.14566	16.4
313.18213	6.1
331.09201	75.7
331.15613	8.7
331.21085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1545
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
61.31437	1.8
65.89944	1.7
66.75182	1.9
67.05502	2.3
77.03944	2.2
79.05509	3.1
83.04986	3.6
91.05499	19.0
93.07027	4.6
95.04961	11.3
95.08613	3.2
105.07040	9.5
107.04962	29.2
109.06554	2.1
117.07042	3.6
119.04941	11.2
119.08614	4.0
120.91425	2.0
121.06506	20.9
123.04438	7.7
129.06981	5.0
131.04935	100.0
131.08563	43.5
133.06497	13.0
135.08084	7.5
137.05994	37.5
140.04698	11.7
144.05704	3.1
144.08119	2.2
144.78358	2.0
145.06535	7.9
147.04425	2.8
147.08051	9.4
149.06003	10.3
151.03944	3.3
151.07565	50.1
153.05487	8.8
153.07072	2.0
155.07051	18.6
157.06499	9.8
159.08051	59.4
161.05972	3.5
161.09589	3.6
163.07547	9.4
165.09047	2.5
166.06252	2.4
167.07037	34.1
167.08513	7.5
173.09552	3.2
177.09113	27.0
178.07765	2.6
179.07051	4.7
179.08607	7.4
181.08594	11.6
184.06123	2.9
189.09119	13.3
191.07149	2.4
193.06477	3.5
193.10143	4.0
195.08124	18.2
197.09647	7.5
206.07285	2.6
207.08080	10.5
207.10193	7.6
210.06787	10.1
211.07541	2.9
221.06026	9.3
221.09567	16.9
223.07622	7.8
225.09070	21.5
227.10672	19.6
234.06699	2.1
235.07484	7.5
238.06396	4.2
240.07730	3.0
246.72791	2.1
249.09074	4.4
252.07965	2.7
253.08546	23.4
253.12163	14.6
255.10164	15.9
266.09326	2.0
267.10114	15.2
272.10446	8.7
281.11774	4.4
285.11249	44.4
287.12811	36.2
299.09177	4.1
299.12686	4.4
301.14230	2.4
313.14444	44.2
313.17889	3.8
331.12573	24.4
331.15967	51.5
331.19495	3.9
331.22620	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	331.1543
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.13059	1.2
51.30804	1.4
51.92549	1.2
55.05522	1.3
69.03419	1.8
69.07079	2.0
70.06599	5.7
72.08168	35.7
73.08493	2.6
81.03407	1.3
84.08141	10.2
86.06078	17.7
86.09720	17.7
87.10035	2.9
91.05473	13.9
94.04153	1.7
94.10210	1.5
95.04971	6.4
103.05483	6.3
103.08710	10.0
105.07046	3.5
107.04947	6.8
109.06549	5.3
114.09215	1.7
119.04931	17.8
121.06506	6.0
129.07013	9.5
131.04919	9.1
133.06523	2.5
135.04459	2.3
135.08080	3.3
137.05992	91.2
143.04890	2.6
145.06470	2.3
147.04376	2.1
149.05975	13.9
151.03891	3.6
151.07553	100.0
157.06473	13.5
161.05983	14.4
161.09627	3.5
163.03908	1.9
163.07545	25.5
165.09125	7.7
167.08586	9.1
169.10147	1.5
170.11751	1.8
174.06810	2.7
175.07574	3.5
177.05475	7.8
177.09142	2.4
181.04985	31.7
181.06477	2.6
186.16774	6.7
187.14468	1.5
189.09111	31.1
193.06447	5.7
193.10161	7.0
193.12155	1.9
195.08064	23.9
197.09663	1.7
201.09143	8.3
207.10159	9.4
209.09682	3.6
211.07573	3.3
212.08342	2.3
214.16342	3.1
215.08379	1.7
221.06000	10.3
221.09619	10.7
223.07481	12.2
225.05536	1.7
225.09103	13.5
227.10680	39.5
237.09030	2.6
238.06270	2.6
238.09776	1.8
239.06949	2.2
240.07802	6.9
243.11266	10.3
249.09163	7.3
253.08685	22.1
253.12189	16.7
255.10144	24.0
267.10135	6.1
269.08237	1.9
270.08969	2.2
272.10455	3.6
281.11838	7.1
285.11136	21.4
287.12778	66.5
298.12155	2.0
303.12875	1.6
313.10907	3.2
313.14313	30.7
313.17731	2.4
331.11713	9.7
331.15677	14.3
331.20456	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	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
65.83337	1.3
66.58871	1.0
67.69450	1.1
81.07075	1.1
83.96355	1.2
88.24117	1.0
91.05492	17.5
93.28035	1.1
95.04958	7.3
103.05456	4.4
105.07044	4.7
107.04951	6.6
109.06487	2.7
119.04948	24.1
121.06504	5.1
123.04454	1.6
129.06979	16.3
131.04926	9.7
135.08037	7.4
136.05199	2.7
137.05981	85.6
143.04913	1.6
149.05978	14.9
151.03903	2.8
151.07549	100.0
157.06454	12.7
161.05975	13.7
161.09612	5.2
163.03851	1.2
163.07536	25.2
165.09138	2.7
167.07231	1.2
167.08574	10.1
170.09575	1.9
174.06779	7.3
175.07578	6.7
177.09064	1.8
178.07825	2.0
189.09106	37.1
193.06480	7.7
193.10158	11.2
195.08038	30.2
206.07402	1.5
207.10110	6.8
209.09650	2.5
209.94037	1.4
210.06744	3.0
212.08348	4.8
221.06052	12.3
221.09581	16.0
223.07573	11.1
224.08310	4.9
225.09109	16.7
227.10670	47.9
227.12946	1.7
237.09138	1.4
238.06277	2.5
238.09804	1.7
240.07893	4.2
241.62410	1.5
249.09132	6.7
252.07718	1.6
253.08582	20.1
253.12219	20.9
255.10153	30.6
267.10181	8.9
269.08139	5.5
269.11472	1.9
270.08844	1.4
272.10489	4.9
273.55627	1.3
281.11688	6.6
285.11230	21.0
287.12775	70.0
298.12067	1.6
299.12488	1.3
301.14325	1.6
313.14301	34.5
331.15500	27.4
331.19702	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	331.1537
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
59.73300	1.4
60.51109	1.1
81.03435	11.1
82.48598	1.3
91.05494	16.5
95.04966	3.5
99.10982	1.4
99.42107	1.5
103.05438	1.5
105.07059	2.2
107.04979	7.3
109.06532	6.0
111.87076	1.5
119.04942	19.7
121.02844	5.9
121.06510	7.1
129.07008	14.5
131.04953	11.1
133.06508	3.2
135.04416	1.4
135.08069	6.9
136.05223	2.0
137.05989	80.6
143.04938	1.9
145.06459	2.9
149.05969	13.1
151.03923	6.3
151.07553	100.0
157.06503	17.8
160.07639	3.4
161.05959	15.6
161.09630	7.1
163.07570	23.0
165.07062	2.2
165.09071	5.6
167.07036	12.2
167.08537	10.6
174.06805	3.3
175.07536	2.9
177.09117	5.8
189.09102	30.3
193.06529	6.4
193.10167	9.3
194.07341	1.5
195.08073	21.6
205.06627	1.6
207.10150	6.9
209.09517	2.8
212.08327	2.0
221.05966	9.4
221.09552	15.6
223.07542	10.0
224.08470	2.7
225.05466	1.7
225.09035	10.8
227.10661	30.6
237.09100	1.6
239.10594	1.7
240.07806	3.5
249.09109	8.8
253.08607	13.4
253.12218	17.8
255.10205	25.5
267.10284	10.3
269.08151	6.9
270.08923	1.8
272.10480	2.4
281.11594	5.4
285.11163	19.6
287.12787	57.6
298.11981	1.8
301.14417	2.8
313.14447	26.4
323.18069	1.4
331.15543	47.6
342.27515	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	331.1539
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
54.97122	1.3
60.46442	1.7
67.05495	3.8
70.06573	1.8
81.03426	17.2
81.11436	1.6
86.09721	2.7
91.05475	19.8
95.04951	7.8
101.36699	1.6
103.05501	2.6
105.07021	3.2
107.04952	7.0
109.06525	3.0
109.10113	3.3
117.06997	2.2
119.04907	19.2
121.06524	8.6
123.08119	2.9
127.03922	2.4
129.07018	14.7
131.04913	4.3
135.08058	8.4
136.05214	2.6
137.05986	83.7
139.57487	2.0
145.06476	3.2
149.05965	15.6
151.03946	2.0
151.07555	100.0
157.06485	13.6
161.06001	13.0
161.09608	2.3
163.03699	2.0
163.07518	24.2
165.06995	3.3
165.09125	7.8
167.07178	3.3
167.08580	11.0
169.12221	2.3
174.06738	10.3
175.07536	2.7
177.09062	2.6
178.07780	2.2
179.08527	2.0
181.04964	14.5
189.09099	30.4
191.31082	1.8
193.06589	2.9
193.10176	7.7
195.08075	24.0
195.09698	2.7
207.10101	3.0
209.09631	3.4
210.06892	2.3
212.08269	4.0
221.05998	11.6
221.09621	15.2
223.07552	11.5
224.08316	3.2
225.09128	15.1
227.10654	42.2
227.12712	3.0
239.10654	2.9
240.07776	2.4
249.09175	6.4
253.08617	21.5
253.12210	21.3
255.10204	27.2
263.77332	1.9
266.09299	2.1
267.10193	8.3
269.08017	6.3
270.08591	3.4
271.09912	1.9
271.13467	2.0
272.10364	3.3
281.11716	2.0
285.11279	16.8
287.12762	61.1
299.12460	1.8
313.14267	28.2
316.09143	8.1
331.15314	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	331.1543
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01886	1.3
55.05518	1.7
67.42285	1.3
69.07069	2.8
70.06584	8.7
72.08161	35.7
73.08496	5.4
79.05485	2.2
81.03441	2.9
81.07049	2.3
84.08166	9.8
86.06077	27.2
86.09715	38.5
87.10037	13.9
91.05491	10.7
93.07050	1.4
95.04958	6.4
95.72160	1.5
103.05473	1.9
103.08710	18.1
105.07021	3.2
107.04976	5.8
109.06535	7.5
116.07061	1.5
118.08630	1.5
119.04965	12.0
121.06483	3.4
123.04466	1.8
129.06989	6.4
129.10265	2.9
131.04938	9.5
135.04395	1.6
135.08064	5.9
137.05984	99.8
147.04478	2.4
148.05223	2.1
149.05994	8.1
149.09619	1.6
151.03975	1.3
151.07545	55.1
157.06497	6.8
161.05954	5.9
163.03877	8.0
163.07536	27.5
165.09123	1.9
167.08484	4.4
174.06712	3.1
177.05501	5.4
181.04962	100.0
185.16528	2.9
186.16843	7.2
187.08722	3.0
189.05542	1.7
189.09128	21.6
193.10155	2.2
193.12219	1.7
195.08023	13.8
199.11595	3.1
201.09137	3.0
207.06561	8.2
207.10104	5.4
209.09633	2.2
210.06720	2.0
211.13318	3.0
212.08420	1.9
213.16083	5.6
214.09038	1.4
214.16295	10.8
215.08307	2.5
217.12758	1.5
221.05962	3.4
221.09689	7.2
223.07550	7.0
225.09157	6.9
227.10681	17.5
243.11266	12.5
253.08621	8.3
253.12241	9.4
255.10126	13.4
260.14368	1.4
267.10168	2.4
270.08759	3.0
272.10461	2.8
281.11798	2.5
283.10132	1.3
285.11343	6.0
287.12781	34.2
296.18701	1.8
313.10675	11.6
313.14362	13.8
316.09052	1.8
331.11920	15.7
331.15771	7.2
331.20294	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	331.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50954	0.5
54.12386	0.5
55.05521	0.6
56.05027	0.8
59.34955	0.5
60.04517	2.7
67.05183	1.0
67.05511	18.4
68.92114	0.6
69.03420	1.3
69.07063	0.8
70.06577	4.9
72.08159	16.0
74.02445	2.7
79.05499	6.3
81.07044	2.9
82.06572	1.4
84.04501	10.1
84.08147	64.6
85.02925	5.0
85.94996	0.6
86.09709	39.1
88.03984	3.7
91.05472	1.2
93.07052	11.5
95.08601	8.6
97.02903	1.3
98.06020	0.9
98.09685	3.6
101.07147	3.5
101.10765	3.4
104.61153	0.6
107.04951	2.9
107.08605	12.7
109.06491	1.0
109.10167	27.6
110.06037	2.5
110.09669	10.8
111.09217	0.8
112.08784	0.6
114.05524	1.0
115.08680	0.8
116.03458	1.2
117.07034	2.7
123.08080	2.8
124.11227	17.2
128.07094	0.8
129.10242	56.2
130.05009	24.0
130.08607	0.9
132.10162	0.6
134.04480	4.6
134.09650	13.8
135.08063	18.3
147.07645	34.3
147.11258	1.5
150.51117	0.6
151.09389	0.6
152.10710	100.0
153.09160	1.4
155.11739	0.8
157.13348	13.6
161.09361	0.5
170.11761	54.0
171.14966	0.7
180.10185	1.4
185.12840	2.5
197.16499	4.9
198.11269	13.4
199.14432	1.2
200.13908	2.8
204.10170	0.9
216.12297	3.0
217.01563	0.7
218.14983	0.9
222.11298	2.5
224.17674	0.9
242.18651	3.2
250.10728	3.0
251.07086	0.9
267.13428	0.8
268.11624	5.4
279.06549	3.4
285.14413	12.8
295.05820	0.7
297.07669	0.9
297.84204	0.7
313.13968	5.2
331.15027	87.1
331.19434	7.5
331.23322	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1307
Annotation	5,10-diborylporphine
Peak:m/z	Relative Intensity
55.05509	3.6
57.07085	12.2
61.45118	0.7
67.05498	0.8
71.04995	17.0
77.03930	1.1
79.66950	0.8
81.07078	0.9
83.04532	1.1
83.04985	23.5
89.70164	0.7
95.08596	1.2
101.06032	5.8
111.08082	1.1
111.92188	1.0
119.37454	0.8
129.07054	1.2
140.60892	0.8
142.81342	0.8
175.01555	100.0
181.02702	0.8
224.17380	1.2
227.04688	5.0
231.07687	1.6
275.06842	9.1
278.21951	1.0
307.38181	0.8
331.13046	85.3
331.19193	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	331.1187
Annotation	2'-Hydroxymatteucinol
Peak:m/z	Relative Intensity
51.02402	0.1
55.01877	0.1
56.97956	0.1
62.60905	0.1
65.03944	0.1
66.04722	0.1
66.15836	0.1
67.05512	0.3
70.06581	0.2
71.04988	0.2
72.08164	1.3
73.06894	0.1
73.08473	0.2
73.51263	0.1
79.05507	2.2
81.03397	0.2
81.07070	1.9
83.04976	0.2
85.02892	0.1
91.05483	1.9
93.07012	0.2
94.04193	1.1
95.04975	0.9
95.08614	0.1
101.90340	0.1
103.05473	2.9
105.07053	0.6
107.04961	2.2
107.08612	0.3
109.06539	1.8
111.04438	0.5
117.06995	0.2
118.04179	0.1
119.06048	0.2
119.08591	0.2
121.06507	0.2
122.03630	1.2
123.04433	0.6
125.06014	1.4
131.04938	6.6
133.06462	0.2
135.04419	3.6
135.08069	0.7
135.11722	0.7
137.05988	52.8
138.03107	0.1
145.10152	0.2
147.04388	0.2
148.05196	1.3
149.05956	0.2
151.03918	0.6
151.07571	1.2
153.05489	1.5
160.07614	0.5
161.05995	0.9
163.02538	0.2
163.03908	6.4
163.07544	12.5
163.11197	0.2
165.07011	0.3
166.02589	1.7
172.15274	0.2
175.03897	0.2
175.48085	0.1
176.04700	0.7
177.05470	3.0
179.07108	0.2
181.04962	100.0
182.07321	0.3
186.09100	0.2
189.05461	1.3
192.04263	0.2
193.06439	0.3
195.08095	0.5
197.09499	0.2
207.06526	7.4
210.06731	1.1
213.05621	0.1
218.14236	0.1
221.05978	0.8
224.08324	0.6
225.09048	1.4
227.07179	0.5
235.07616	0.2
237.05666	0.2
238.06256	0.8
239.07001	0.2
242.09392	0.3
252.07755	0.3
253.08675	0.9
254.09363	0.2
255.06581	0.8
255.10005	0.2
267.10199	0.5
270.08871	1.9
281.08160	0.8
285.07678	0.3
287.12991	0.2
295.09641	0.5
302.08029	0.3
313.10687	13.9
331.11774	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	331.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
55.05524	8.0
57.03439	0.2
61.02924	1.2
68.99796	1.1
69.03448	1.8
71.04992	0.5
73.08453	0.2
73.67857	0.2
81.03430	5.2
81.07050	0.2
83.04990	100.0
84.56205	0.2
85.02912	3.5
86.06099	0.5
87.00832	1.5
88.13515	0.2
97.02907	2.5
97.06544	0.3
97.86292	0.2
99.04459	1.3
101.05997	2.6
109.02882	6.0
111.04480	0.3
121.06561	0.2
121.10159	0.2
127.03925	6.3
129.01854	3.2
137.06035	0.3
147.02911	2.1
151.07573	0.5
164.11539	0.3
213.04048	0.8
227.09262	1.4
267.17453	0.2
270.14804	0.3
285.08841	0.4
285.18594	0.3
295.17661	0.3
313.08820	0.4
313.18106	0.3
331.10120	8.1
331.19559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04501	0.5
61.02909	0.3
70.06589	2.6
72.08163	14.3
83.06113	0.4
84.04504	1.7
84.05632	0.5
84.08141	2.9
85.02908	0.4
86.09711	15.0
87.10026	0.7
93.63645	0.4
94.40357	0.4
97.24543	0.4
98.06042	0.7
101.00908	0.4
101.07141	0.8
102.05566	0.4
111.24712	0.4
115.08677	0.8
116.07088	2.8
117.07444	0.9
119.01897	0.5
121.06539	0.5
127.02363	0.5
129.10236	6.3
130.04961	0.9
145.03494	0.4
146.84241	0.4
151.07587	0.6
153.05458	0.6
157.09732	0.6
157.13466	0.4
168.95540	0.5
170.11760	0.4
175.10806	4.4
181.04996	0.4
185.02771	0.5
185.12888	0.4
187.00916	1.7
189.12370	0.8
199.04333	0.8
203.14006	0.5
215.13799	0.4
216.14287	0.7
217.11652	0.4
232.12088	1.5
242.15039	2.0
245.09914	0.9
246.11287	3.0
250.13057	0.6
256.16486	0.7
269.09540	0.5
277.01074	0.4
287.11020	7.0
313.08112	0.4
331.09995	100.0
331.16470	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	331.0959
Annotation	8-(3-Chlorostyryl)caffeine
Peak:m/z	Relative Intensity
52.74380	0.2
56.84573	0.3
67.84113	0.3
70.06587	0.6
70.12948	0.3
72.08160	100.0
84.04520	1.6
84.08140	0.5
85.45220	0.3
86.09718	1.5
89.10796	56.3
90.48010	0.3
98.06066	0.6
115.08687	0.4
116.07105	1.3
125.00648	0.4
129.10252	0.6
144.06549	0.4
161.09291	0.7
162.03241	0.3
163.03911	17.3
182.97537	0.6
196.14624	0.3
199.00598	7.4
199.02260	0.4
200.98546	3.4
242.99713	1.2
251.14003	1.2
261.29367	0.4
313.18509	0.5
314.07062	1.1
331.09570	4.3
331.20105	0.5
331.23547	0.7
337.83008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05376	1.8
55.16233	1.8
58.06595	2.1
59.91824	2.2
65.90195	1.9
69.07067	12.1
70.02908	2.4
70.06596	100.0
72.08176	17.9
76.02225	8.1
83.48250	1.8
84.04519	18.9
84.08141	7.9
86.00642	3.1
86.09216	3.9
86.09709	88.6
102.05545	3.6
109.68713	2.0
116.01711	3.6
119.43724	1.8
123.04417	3.3
129.10272	2.3
130.05016	10.1
132.10164	2.4
142.03238	3.5
143.02715	2.3
162.02170	2.7
163.03917	13.5
166.08640	2.8
179.04884	4.2
189.03317	8.3
216.12311	3.3
229.15465	23.4
233.05983	2.7
235.07288	2.8
249.10236	2.1
250.08708	9.3
271.04654	2.0
315.08334	2.7
315.13327	2.7
330.16422	4.8
330.48865	2.8
330.68179	2.2
341.11288	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	330.3369
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
57.07077	2.4
58.06609	1.0
64.98288	1.2
69.72363	0.9
70.06578	4.5
78.06927	0.9
85.10182	1.9
88.07170	1.1
88.07644	12.9
92.11234	1.5
102.09153	2.4
102.93544	1.1
106.08665	7.9
125.46404	1.2
138.98784	1.0
157.87344	1.1
268.29956	9.9
309.85907	1.2
312.32562	7.7
330.33691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07089	4.0
60.37425	0.3
70.06599	5.7
71.08639	2.2
85.10197	1.5
88.07639	12.6
92.17803	0.5
97.84803	0.4
102.09189	4.3
106.08029	0.6
106.08685	9.7
112.61414	0.3
236.89375	0.3
286.31064	0.5
312.32602	9.2
330.33685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40742	0.2
51.88157	0.2
57.07082	3.1
58.83089	0.2
67.78818	0.3
70.06596	5.4
71.08627	2.3
85.10165	1.2
88.07631	13.7
88.08166	0.5
102.09169	3.8
106.08673	10.4
155.69301	0.2
268.30026	0.4
273.05652	0.3
286.30969	0.6
312.32593	10.2
320.84052	0.3
330.33661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69939	12.3
55.05507	23.8
67.05505	61.7
69.07047	17.8
79.05504	36.1
81.07065	76.6
92.18407	23.9
93.07039	38.8
95.08637	64.2
107.08615	29.1
116.51770	15.5
117.74371	19.6
121.10151	25.1
128.34644	15.8
133.10049	16.8
135.11760	23.1
139.11195	18.2
149.13222	35.3
195.13815	38.5
277.21677	29.3
295.22665	100.0
305.39191	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32888	1.2
52.91050	1.2
55.05521	26.6
56.79008	1.2
59.10181	1.3
61.99493	1.3
67.05512	15.9
69.03426	7.1
69.07067	3.3
79.05482	8.7
81.07054	10.6
83.08627	35.0
93.07034	7.2
95.04975	1.6
95.08625	2.1
97.10176	100.0
105.07008	2.2
107.08607	22.5
109.10149	6.6
111.08124	2.3
125.09634	91.0
126.12792	2.5
135.08067	7.2
143.10626	1.7
147.11636	2.4
151.11121	2.3
153.09085	2.7
171.10144	19.8
189.11217	84.8
195.86012	1.4
259.36435	1.6
277.21619	52.3
295.22656	49.3
312.25287	2.4
329.22079	1.6
330.26501	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	22.5
67.05504	81.8
69.07070	30.1
78.47793	13.6
79.05511	29.6
81.07072	100.0
83.08640	23.2
88.07615	19.7
91.78282	13.8
93.07040	66.2
95.08601	78.9
97.06540	21.3
107.08589	63.1
109.10154	18.9
119.08591	17.0
121.10143	18.7
125.43626	13.8
137.95410	12.7
139.11191	30.0
147.11693	16.8
179.06912	12.5
195.13806	84.1
247.25325	14.1
251.04959	15.5
277.21606	67.8
295.22729	66.9
330.21780	16.7
330.27908	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	330.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44726	0.6
52.93322	0.6
53.25047	0.5
58.49708	0.7
59.20897	0.6
64.19050	0.6
64.66132	0.6
69.07065	0.9
70.06593	5.8
72.08166	22.1
81.07063	2.8
84.05630	7.5
86.06088	2.8
86.09214	1.2
86.09711	27.0
87.04465	5.1
89.53186	0.6
93.07067	1.5
96.05599	1.0
98.06068	19.5
98.86568	0.7
100.05112	2.5
104.07111	1.0
108.05604	2.7
112.05089	1.2
116.07095	49.4
119.60199	0.7
121.09331	0.7
121.10152	2.7
124.05082	5.6
126.06644	17.8
128.07027	1.3
142.06140	4.3
146.08199	1.5
146.09200	7.0
149.09662	4.8
152.04555	6.3
170.05606	15.2
170.09303	1.4
171.14937	3.0
185.16510	7.6
188.04947	1.6
188.06676	48.9
188.10316	4.3
199.14464	1.6
206.10214	5.3
211.29779	0.7
212.10204	1.0
212.23073	0.8
213.15987	12.8
217.15474	0.9
218.11505	0.8
220.68364	0.7
226.15540	3.4
230.11388	6.4
248.12395	45.4
250.15610	1.3
254.15047	0.9
266.15030	4.6
268.16537	4.8
271.11954	0.6
276.16818	0.7
293.36243	0.8
294.14496	8.2
294.17804	1.5
312.15543	15.7
312.19226	4.7
330.16586	99.3
330.20309	100.0
330.23581	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	330.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88084	0.6
56.05046	0.8
58.06615	0.8
60.22076	0.6
69.07058	0.8
70.06599	18.7
71.04994	8.4
71.11277	0.6
72.08138	1.4
74.06070	4.1
78.97932	0.7
79.05469	1.4
81.07052	1.1
84.04510	1.3
84.05640	22.1
86.09711	8.2
93.07034	2.7
93.98457	0.7
95.08588	1.1
101.07127	3.8
105.07024	1.2
110.07173	0.7
116.06318	1.3
116.07098	25.1
119.08610	0.8
121.06525	1.4
122.02724	0.9
123.08047	1.0
126.10268	0.8
130.09766	1.4
131.08562	10.0
136.08720	1.8
137.05989	0.9
142.12303	1.2
143.11789	0.9
145.10149	6.1
149.05943	0.7
149.09651	0.8
154.09758	62.1
163.03909	1.1
163.07094	1.6
163.11208	1.0
170.09282	4.5
171.09688	1.1
172.10825	4.5
177.05396	0.8
178.05859	1.1
180.04895	0.9
187.14417	19.7
191.10634	5.4
199.10741	1.3
209.11761	1.0
215.13870	7.3
224.13820	1.0
226.11896	1.4
229.15508	1.7
241.08934	1.4
248.17619	1.3
252.15916	1.1
270.17081	1.0
276.17114	4.4
294.18124	34.4
298.07977	6.5
312.19177	89.7
313.10956	1.2
318.68909	0.7
330.10440	6.5
330.20215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1188
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
50.22211	0.5
50.93198	0.6
55.01647	0.8
55.01886	16.3
55.05524	0.8
55.78045	0.6
57.03429	0.7
58.06598	0.6
61.15138	0.7
63.97175	0.7
67.05499	5.3
69.03398	0.8
70.02956	5.1
70.06593	1.4
72.08135	4.1
73.02908	1.4
74.02424	3.7
79.05498	30.5
81.03421	1.6
81.07066	61.7
83.04977	0.8
84.04507	0.9
84.05636	9.5
84.08157	1.3
85.02898	0.8
85.06519	2.8
86.09701	3.1
87.04443	1.3
88.03997	33.3
89.99956	0.7
91.05464	3.2
93.07024	3.3
95.04970	3.1
95.08610	34.7
97.02744	0.6
99.04449	1.6
103.05513	0.7
105.07037	100.0
107.04939	4.6
107.08590	10.2
109.06519	3.6
116.03433	4.2
116.07111	1.1
121.06506	0.9
122.09673	33.4
123.04474	5.0
123.08067	66.1
129.10260	1.1
133.06494	31.8
134.04492	20.5
137.06044	0.9
141.09100	3.9
149.55455	0.7
151.07550	35.9
161.05959	1.3
169.08611	1.2
179.06995	1.3
187.10895	1.5
195.08807	0.7
197.06285	1.4
197.08084	32.4
209.13829	1.0
210.12344	0.8
212.13837	1.2
215.09140	25.2
215.11115	1.3
223.04274	0.9
254.11302	1.5
284.11270	8.2
286.12308	0.7
312.10724	14.6
330.11694	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.11
Annotation	Fluridone
Peak:m/z	Relative Intensity
55.01839	0.4
56.52771	0.4
61.01124	0.7
63.56512	0.4
63.84666	0.4
70.06536	2.5
72.08102	1.9
76.02876	0.4
81.07037	0.8
84.05642	6.4
86.09679	0.6
95.04939	0.7
103.55795	0.5
105.06982	1.6
116.07006	1.7
119.27280	0.4
123.08012	1.6
133.79677	0.4
148.07565	0.4
151.07430	0.5
152.06140	0.5
159.11217	0.5
164.67761	0.4
169.36630	0.4
179.06995	0.8
197.08107	0.6
208.05194	5.4
223.04219	1.0
227.07054	0.5
236.04623	3.6
241.08516	1.7
254.05736	8.3
255.06459	0.6
256.13016	0.6
258.81577	0.5
264.04065	1.7
267.06531	0.5
268.03445	0.9
269.08075	44.4
271.05966	0.9
272.06732	2.6
278.73880	0.4
282.05170	6.6
283.06049	0.4
286.04742	0.7
286.08508	0.6
287.09122	6.6
297.07529	1.8
300.06290	4.8
301.07007	3.7
314.07852	0.6
315.08621	96.9
330.10992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72376	0.2
55.01884	56.6
55.05504	0.3
56.05839	0.3
58.99580	0.3
59.46894	0.2
60.05655	0.3
68.21839	0.3
69.03412	0.3
69.07070	0.5
70.06595	10.1
72.08157	5.0
73.08491	0.4
74.06062	1.5
76.02224	1.3
79.05494	0.5
81.07040	0.5
84.08142	4.2
85.02900	0.4
85.06555	0.4
86.09698	1.9
87.43474	0.3
88.03986	0.8
91.05463	0.7
93.07048	0.7
95.04974	0.4
95.62068	0.3
98.09631	0.4
101.07120	0.4
103.05476	3.5
105.00068	0.6
105.07022	1.3
107.04937	0.6
109.06496	0.7
111.30188	0.3
112.07607	1.3
114.05512	1.4
114.10262	0.6
116.07090	2.3
121.06507	4.3
122.02735	6.9
122.06044	1.5
123.04408	0.8
123.08041	0.4
126.05454	0.3
127.12320	0.5
130.08647	0.5
131.04921	2.5
131.12973	0.4
133.06505	0.6
135.04405	0.6
136.06166	0.4
138.09180	2.5
139.03879	0.6
145.02808	0.7
149.05980	16.6
151.07521	2.0
152.10670	0.6
153.05463	3.3
155.07010	1.2
159.04465	2.2
159.05539	0.5
161.05925	0.6
163.03902	20.1
163.11195	0.3
164.04245	16.0
167.06999	0.6
168.06534	0.3
170.09601	0.4
171.11252	0.7
177.05472	55.0
181.08598	1.9
184.01889	4.9
185.02684	11.7
187.14392	1.5
191.07033	0.4
197.08032	0.6
198.11275	9.4
199.04253	15.5
199.10686	0.5
209.08089	100.0
215.13956	0.5
216.12386	1.3
221.26590	0.3
223.04318	1.6
229.15440	2.4
234.11301	2.8
235.11566	7.6
241.05283	17.2
244.11786	1.9
269.07990	0.4
276.66034	0.3
298.19040	0.4
312.20929	0.5
315.08603	1.9
330.10272	12.4
330.15268	15.0
330.19882	4.3
351.07837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40847	0.9
51.72768	1.1
52.36297	0.9
57.03444	61.4
61.02930	17.7
69.07076	1.9
69.97958	1.2
73.83347	0.9
75.04469	2.1
88.10054	1.1
103.50421	1.1
117.05495	100.0
140.77293	1.1
174.96368	1.1
329.26880	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	330.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62662	0.4
60.69687	0.5
68.69934	0.5
85.86639	0.5
94.93029	2.2
102.93055	0.5
112.47482	0.5
161.29103	0.5
176.20158	0.7
237.75449	0.5
246.39810	0.6
286.03510	0.7
330.02536	100.0
333.93701	0.5
342.17270	0.5
345.55783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82456	1.0
55.72758	0.9
57.03445	63.2
57.77130	1.1
61.02930	15.0
69.07082	2.2
81.21087	1.0
83.08643	1.7
93.31805	1.2
97.10163	1.5
107.53283	1.2
117.05489	100.0
125.50539	1.2
128.66989	1.1
193.77396	1.2
279.92719	1.3
329.26895	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	329.2688
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.05286	1.4
55.05523	19.6
57.03448	10.9
57.06881	0.9
57.07086	16.2
63.90757	1.2
66.75230	1.2
67.05520	11.2
69.07077	31.3
71.04999	1.6
71.08628	9.3
79.05470	5.7
81.07078	12.4
83.08636	25.5
85.10187	2.2
93.07030	10.3
95.08611	17.5
97.06542	8.9
97.10184	15.9
98.98505	1.2
107.08599	8.6
109.10154	6.6
111.08083	4.6
111.11708	2.5
121.10134	9.1
123.11621	1.5
125.09659	2.5
135.11674	7.6
139.11147	2.0
149.13255	6.3
163.14824	2.2
213.60860	1.2
219.21115	5.7
237.22166	5.9
311.20398	2.1
311.25778	9.6
329.26880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03507	2.5
53.57104	2.3
55.05508	13.2
57.03442	12.8
57.07070	13.0
58.97367	2.6
66.85741	2.3
67.05523	8.3
69.07066	34.9
69.76347	2.6
70.41406	2.3
71.08630	5.0
73.41007	2.4
81.07060	14.1
83.08620	28.1
85.10164	4.5
88.73609	2.3
93.07068	5.9
95.04934	3.0
95.08611	13.4
97.06544	3.6
97.10160	12.7
98.98458	3.6
107.08617	3.7
113.96466	3.2
121.10145	12.1
123.11729	3.6
135.11694	5.2
143.78464	2.4
149.13257	4.2
150.72859	2.3
237.22121	5.0
249.76709	2.8
329.26901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2322
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
54.51139	3.5
55.01882	4.8
55.05511	23.3
56.65667	3.7
67.05506	18.6
69.03418	5.7
69.07063	5.8
71.08624	5.9
81.03405	7.7
81.07055	22.9
83.08624	22.9
93.07046	25.0
95.04967	32.2
95.08620	17.6
97.10171	29.6
105.07062	16.8
107.05032	4.3
107.08604	10.3
109.10162	10.0
111.08079	7.0
119.08572	7.2
121.10174	5.0
125.09653	32.3
127.85583	4.0
135.08138	4.8
135.11615	6.9
145.10149	6.8
163.11206	10.0
169.13245	4.6
173.09526	5.0
174.12814	5.2
189.11259	9.2
195.08029	10.8
199.11288	6.4
211.11275	7.7
213.09026	9.0
237.12798	28.8
255.13826	6.8
269.18933	7.8
275.20071	8.6
279.17529	22.9
293.21112	100.0
297.18536	35.4
311.22183	53.8
329.10138	22.0
329.17462	15.7
329.21158	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13579	0.4
54.03826	0.4
66.98815	0.5
69.07067	1.0
74.80593	0.5
81.07085	0.5
91.45757	0.5
93.07062	0.8
95.08638	0.6
117.05318	0.5
119.29977	0.5
121.10101	0.7
144.08095	25.2
145.08864	1.0
158.09639	2.6
162.38254	0.5
170.09645	100.0
171.10420	33.5
183.05759	0.6
201.13879	3.9
202.14653	34.7
209.09526	0.7
329.10397	2.2
329.22220	90.1
337.29688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.6
77.97399	0.3
78.58951	0.3
99.24385	0.3
111.27875	0.3
124.67027	0.4
144.08092	24.8
145.08885	1.4
158.09601	0.6
159.10440	0.5
160.44772	0.3
170.09645	100.0
171.10416	28.9
173.60147	0.4
187.12299	0.6
201.13899	3.7
202.14651	28.7
284.05356	0.3
329.22238	71.1
340.65924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39751	0.2
58.06590	1.1
83.39994	0.2
136.03033	0.3
144.08086	25.1
145.08856	1.1
156.44777	0.3
158.09654	1.3
170.09644	100.0
171.10426	31.5
175.10437	0.3
187.12325	0.5
190.07771	0.3
201.13843	4.3
202.14650	35.0
213.13852	0.3
238.15996	0.3
269.20139	0.4
275.57959	0.3
329.22232	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2186
Annotation	Peramivir
Peak:m/z	Relative Intensity
60.05649	0.7
66.65865	0.5
68.42305	0.5
72.08164	35.9
84.05638	34.4
85.06432	0.8
113.09473	2.4
138.10228	2.4
155.12924	3.3
173.64102	0.6
176.11861	2.2
178.13409	0.9
188.93529	0.5
190.26428	0.7
194.12907	2.1
197.81071	0.6
198.12454	0.7
218.56993	0.6
219.56610	0.6
222.12407	3.6
240.13416	38.5
258.14484	3.1
294.18204	2.1
311.20789	28.1
329.21848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37696	0.7
62.35707	0.7
65.73088	0.9
67.05504	1.1
67.33482	0.7
69.07056	1.2
70.06549	1.0
71.04986	1.1
72.08125	3.8
79.05479	3.7
81.07038	5.8
84.05630	12.9
84.08139	1.1
88.02216	1.7
89.03909	0.8
93.07031	1.5
95.04951	1.2
96.05054	1.5
96.05616	22.8
98.07160	4.1
100.02208	1.2
102.04707	3.3
105.07031	4.0
107.08608	6.4
110.07169	57.8
113.10750	2.0
114.09193	9.1
121.10162	2.0
122.07154	16.3
130.04129	4.0
131.04900	1.4
131.08487	1.5
131.11819	1.0
134.07153	6.0
135.04451	1.2
135.07903	1.9
137.05989	7.6
137.08176	1.3
138.06645	1.2
139.05754	7.0
139.11124	1.9
140.02797	6.2
141.01407	1.0
142.04358	11.0
147.04391	3.3
147.07889	1.2
148.08737	6.4
148.11221	12.5
149.06039	2.4
154.04297	0.9
156.05902	1.4
156.11295	4.4
161.05913	4.2
162.06773	15.6
162.10265	4.2
163.03903	6.0
164.11787	1.1
165.05583	1.4
165.06947	1.2
166.13385	1.2
167.03398	1.2
168.05891	1.1
173.10683	1.1
173.13997	1.6
177.05478	8.4
177.12572	1.1
178.13351	1.9
180.14853	1.8
188.12006	0.9
190.13393	69.8
191.03389	1.2
193.04974	1.1
208.14439	10.3
211.07480	1.2
211.64207	0.8
222.10641	9.0
224.12163	12.1
226.06174	1.1
240.07771	1.6
240.11655	2.1
251.07068	1.1
266.13217	1.2
297.07620	14.7
311.09256	3.6
311.15332	31.0
329.10434	23.7
329.16388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87835	1.6
54.29117	1.7
55.05503	2.2
56.45722	2.0
57.07078	4.5
61.02930	4.1
64.56492	1.7
68.99805	3.4
75.94337	2.1
90.34872	1.8
92.17857	4.1
95.08615	3.1
96.95374	2.1
98.98486	3.1
111.00799	7.8
117.05519	2.7
128.32993	2.1
129.01852	100.0
139.00279	26.3
157.01323	36.6
162.05408	2.0
185.08142	17.8
187.25632	2.2
217.03535	9.9
236.46323	2.3
262.41879	2.2
272.28775	2.1
280.93771	2.1
329.26996	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	329.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58844	0.3
51.02404	0.2
54.02093	0.3
55.05527	0.6
70.06600	2.3
72.08160	11.9
76.90508	0.3
78.93763	0.3
80.17355	0.3
81.06463	0.3
84.08142	0.8
89.03947	0.4
96.04494	1.4
98.06033	0.7
107.48312	0.3
110.51225	0.3
114.19011	0.3
117.03355	0.6
123.04427	1.3
135.04391	2.1
137.05992	0.7
145.02858	2.9
152.62367	0.4
163.03896	100.0
177.05457	0.3
190.13412	0.7
203.10274	0.3
234.11241	31.1
242.47061	0.3
272.13718	0.4
283.09781	0.4
297.12741	0.4
329.14883	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05069	0.2
53.93550	0.2
55.02740	0.2
55.05514	0.3
55.07300	0.2
61.65454	0.2
70.06588	1.3
70.76159	0.2
72.08160	8.5
84.08130	0.3
96.04494	1.5
98.06061	0.5
103.05522	0.3
109.92753	0.3
117.03364	0.5
121.06491	0.4
123.04433	1.9
125.05112	0.3
130.72063	0.3
135.04430	2.0
137.05971	0.7
145.02849	2.1
147.04395	2.0
148.04744	0.4
149.05969	0.6
163.03899	100.0
165.05411	0.6
167.06003	0.3
196.24522	0.3
234.11247	34.2
329.14951	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	329.1378
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
55.32026	0.6
60.05635	1.5
62.55632	0.8
70.06585	3.0
70.92818	0.8
72.08160	29.4
84.04473	0.9
85.02891	1.0
88.40807	0.7
89.46307	0.8
91.05449	1.3
97.07639	3.6
98.06039	4.3
98.98415	0.9
99.09237	6.5
111.04419	0.8
114.10287	12.5
115.08679	3.8
119.08576	1.2
123.04395	4.0
130.04178	1.1
131.12933	7.3
135.04407	3.8
137.05971	9.3
141.11365	11.5
145.02870	0.9
147.04314	1.3
149.05952	4.8
152.07080	1.0
157.10817	5.4
162.06670	1.3
163.03909	24.3
163.07510	1.8
164.07050	3.1
171.02048	8.9
175.07539	0.9
179.07025	1.0
180.06525	1.2
192.65274	0.9
197.04457	1.4
199.01575	7.0
206.11748	3.0
208.14326	1.3
222.08769	7.1
228.04175	4.3
233.12732	7.4
234.11295	14.2
234.45807	0.8
248.13965	0.8
251.10883	0.9
253.08699	1.1
259.92972	0.9
269.10422	1.6
270.08899	31.5
276.13339	7.5
293.16040	16.5
297.07590	4.3
311.12573	1.2
312.10986	1.0
329.13721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1023
Annotation	Grantionin
Peak:m/z	Relative Intensity
58.44812	0.7
63.01377	0.7
70.06567	3.9
72.08158	5.4
77.03891	0.8
79.05512	2.5
79.95581	0.7
80.12163	0.6
83.54383	0.7
84.08152	1.7
85.02893	1.0
89.03909	0.9
91.05486	1.1
95.04969	10.7
99.66953	0.8
102.04696	11.7
103.05461	4.7
105.04457	1.1
105.07061	7.7
107.04965	1.9
115.05434	1.3
117.03295	0.8
119.04973	1.0
121.02868	3.7
123.04410	3.2
130.04156	20.1
131.04929	11.8
133.06516	8.4
135.04430	13.3
136.05205	0.9
137.05983	26.3
145.02892	1.0
147.04425	16.3
149.02318	1.8
149.06007	15.0
151.03902	2.9
151.07555	1.0
153.05418	1.0
161.05984	24.4
161.07346	1.2
162.06763	83.9
163.03902	36.8
164.04445	1.1
165.05435	7.6
165.06979	3.1
167.03375	7.4
177.05475	36.3
177.13179	0.8
181.06477	3.1
182.07181	0.9
185.09825	0.7
191.03403	6.4
193.04977	2.6
193.06516	1.7
195.08035	1.2
199.08658	0.8
205.04909	4.7
208.05183	1.5
210.06755	1.8
211.07552	4.6
212.08409	0.8
221.05984	3.5
223.07622	0.9
224.08354	1.6
225.05434	1.0
225.09042	4.8
237.05432	3.8
238.06190	3.2
240.07748	3.0
241.08432	1.1
251.06956	3.9
253.08572	3.1
268.07288	3.5
269.08066	5.5
278.50687	0.7
279.06473	3.6
283.09610	3.4
297.07584	89.4
299.09155	5.0
301.10544	0.9
311.09155	10.5
328.66931	1.7
329.10181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.102
Annotation	Grantionin
Peak:m/z	Relative Intensity
55.47005	0.6
65.77831	0.7
79.05480	2.8
84.04527	0.7
91.05450	0.8
92.17820	1.4
95.04974	0.9
107.04955	3.6
109.06532	0.8
122.03546	1.0
134.03635	0.9
135.04416	14.4
136.05215	0.9
137.05972	24.2
137.09615	5.5
140.15282	0.8
147.07629	1.1
149.05948	0.9
153.05571	0.8
161.06000	5.1
163.03909	40.4
164.04701	0.9
165.05522	9.9
165.06958	1.3
165.09129	3.2
177.05464	28.5
177.06953	1.5
181.06519	0.8
191.03426	9.8
193.04990	2.6
193.06523	1.1
195.08118	1.0
205.04968	5.3
209.05920	1.4
210.06784	1.7
211.07506	1.1
221.05965	3.1
222.06712	2.7
223.07529	2.9
225.09093	4.0
236.04764	1.3
237.05409	1.0
238.06357	3.8
240.07742	3.8
241.08731	2.4
251.07033	3.6
252.07597	1.1
253.08655	3.9
255.06609	0.9
264.04254	1.1
268.07376	1.5
269.08127	3.4
279.06567	3.8
282.05206	1.0
283.09653	3.4
296.06799	0.9
297.07639	13.8
301.10742	0.8
311.09021	8.5
311.15909	0.8
329.10208	100.0
347.11615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68055	9.5
55.05516	10.4
66.84859	11.0
67.05531	24.7
69.07070	31.0
79.05503	12.4
79.90588	12.3
81.07045	100.0
91.05481	14.9
93.07025	22.7
95.08607	71.0
105.07010	22.2
107.08619	16.2
109.10158	17.7
126.94508	12.5
133.10118	16.0
135.11702	17.7
152.13983	13.9
181.12245	15.2
195.13866	15.7
241.05579	12.9
275.19983	27.7
293.21317	13.6
314.58459	11.7
320.32336	13.4
328.13040	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.4
67.05502	50.9
69.07070	24.3
75.64356	11.7
76.37726	15.6
79.05486	50.4
81.07057	76.1
82.88021	11.9
91.05508	28.4
93.07036	100.0
95.04985	14.7
95.08631	19.0
97.06483	13.8
98.98466	30.6
102.18779	12.0
105.07037	29.1
107.08630	16.0
119.08578	20.9
133.10094	29.2
145.11174	13.6
166.03839	12.9
173.66667	16.3
181.12305	14.4
196.08386	15.0
235.16939	18.1
275.20099	68.4
326.09952	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
55.05514	18.3
67.05501	16.4
69.03447	6.2
69.07062	4.5
79.05479	15.5
81.07070	15.0
83.08619	35.4
91.05477	4.8
93.07046	6.5
95.08614	4.4
97.10175	88.9
105.07037	8.1
107.08611	86.4
115.33242	3.6
121.10155	5.7
125.09632	100.0
133.10127	13.7
135.08032	5.8
145.10124	6.5
147.11743	5.4
163.08611	3.3
171.10101	4.9
187.30336	3.4
189.11217	71.3
239.01028	3.5
275.20053	89.7
290.90353	3.2
293.21152	32.1
311.48700	3.8
328.12936	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22787	0.3
51.70700	0.3
55.05524	3.1
56.05052	0.5
58.67115	0.3
70.06602	24.6
70.06988	0.9
72.08164	59.8
82.52869	0.4
83.22781	0.5
84.08138	0.7
86.09715	61.8
87.10001	0.3
89.06042	0.8
93.07040	0.5
96.04528	0.5
116.07100	100.0
120.08128	0.4
121.08463	0.6
123.04483	1.4
124.03954	0.6
128.01675	2.1
128.19337	0.4
131.12933	0.5
133.08624	0.5
141.06625	2.5
164.03786	0.4
169.06052	1.9
174.02246	1.7
175.11879	0.6
185.16513	24.1
197.05705	0.9
203.58441	3.3
209.03270	0.8
213.15999	26.6
217.58241	5.5
218.08447	1.0
229.15469	3.6
280.04697	1.8
281.05347	0.5
282.14496	0.7
282.83054	0.4
308.04190	1.8
319.16806	0.6
319.66342	0.5
328.11786	13.0
328.17966	2.4
328.22388	1.8
328.61896	3.0
346.22943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49815	0.6
54.50771	0.5
61.48469	0.5
67.05499	0.9
69.07067	2.6
71.22673	0.6
79.05505	1.2
79.40282	0.6
81.07047	1.2
82.02689	0.6
83.05003	0.9
86.09715	100.0
91.05487	1.2
93.07063	7.1
95.08604	2.3
97.06503	1.0
105.07030	4.6
106.16704	0.7
107.08600	25.6
109.06537	1.2
109.10149	3.0
114.09180	8.7
118.86145	0.6
119.08587	43.5
121.10149	18.0
123.11732	4.7
128.10718	3.3
131.11784	0.8
132.10213	50.1
133.10143	37.1
135.08006	0.7
135.11697	0.8
137.09618	3.2
149.09592	6.7
151.11197	5.8
161.09619	3.6
166.12206	0.6
167.10699	3.4
179.10690	6.0
197.11975	0.6
208.13380	0.9
224.37132	0.6
227.17477	0.7
234.18527	7.3
246.18562	4.0
264.19611	6.7
269.96323	0.6
280.19086	15.6
280.21954	1.1
282.20667	3.3
292.19211	4.1
310.20154	27.7
310.23752	1.3
328.21210	85.9
328.25510	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49628	0.4
58.06597	0.8
63.48165	0.4
65.35044	0.4
67.10277	0.4
88.35601	0.4
119.50339	0.5
124.26936	0.4
137.79579	0.4
144.08087	25.0
145.08821	0.5
158.09622	0.7
170.09647	100.0
171.10423	29.1
201.13847	3.8
202.14655	30.4
265.88318	0.5
282.19589	0.6
328.12436	2.4
328.20187	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07085	4.3
77.11385	0.5
79.05495	2.5
81.07059	3.0
81.87061	0.5
82.42756	0.6
86.09713	100.0
91.05467	1.0
93.07053	7.3
95.08616	0.9
105.07024	3.6
107.08596	17.1
109.06528	1.1
109.10149	3.7
112.77746	0.5
119.08584	28.7
121.06522	2.9
121.10141	21.2
123.08065	1.1
123.11720	7.8
128.10687	2.6
132.10213	50.2
133.10138	33.2
135.11696	0.9
137.09599	2.5
149.09628	6.7
151.11168	3.6
161.09608	3.9
179.10658	4.9
206.15276	1.0
234.18553	5.7
246.18507	3.5
264.19678	1.4
280.19077	23.5
292.19080	2.6
298.20209	1.4
310.20175	20.3
328.21191	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2022
Annotation	Sophazrine
Peak:m/z	Relative Intensity
54.80679	0.5
58.06591	0.7
75.91333	0.5
100.60130	0.6
134.61525	0.6
144.08092	25.3
170.09648	100.0
171.10417	29.8
182.44424	0.7
187.12357	0.7
199.85867	0.6
201.13959	4.6
202.14658	29.0
263.03470	0.6
282.19571	1.1
301.19226	0.8
328.20184	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74221	0.4
52.73586	0.4
52.97028	0.4
58.93121	0.4
70.06607	0.8
72.08154	0.9
72.40939	0.5
84.05632	21.6
86.06087	0.8
87.04476	4.3
95.08589	0.7
98.06042	0.8
114.09167	2.2
115.09429	0.5
143.11809	0.5
152.08176	2.0
161.10698	0.5
165.80960	0.4
170.09241	75.3
178.13474	0.5
196.10800	0.5
206.99472	0.4
224.08919	0.5
224.14000	1.5
264.17120	0.9
292.16507	1.9
310.17615	29.7
310.23306	2.8
328.10321	2.4
328.18677	100.0
328.24408	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	328.1756
Annotation	Cropodine
Peak:m/z	Relative Intensity
50.45229	0.2
53.04622	0.2
55.05537	0.3
55.31350	0.3
61.21408	0.3
61.79034	0.3
62.26651	0.3
62.39836	0.2
67.05502	0.3
70.06598	100.0
72.08160	2.3
72.92896	0.3
83.99789	0.3
84.08141	0.3
105.03404	1.7
107.24850	0.3
107.27891	0.3
109.10168	0.7
112.07572	0.3
116.07153	0.4
123.04449	1.4
127.81852	0.3
130.08641	18.2
135.04453	0.3
146.19864	0.3
153.09102	0.7
163.03871	2.7
165.05496	0.3
167.66681	0.3
169.13374	1.7
179.18178	0.3
197.12839	1.3
212.74045	0.3
222.11255	0.4
328.17557	53.2
353.20065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95275	0.3
57.04534	0.3
57.39018	0.4
60.05642	0.5
70.06590	1.8
70.82624	0.4
72.08141	0.9
77.56405	0.4
79.05499	2.0
79.11887	0.4
82.06565	0.5
84.05637	100.0
85.06405	1.0
86.06094	0.6
86.09709	1.8
87.04467	2.5
89.06022	1.6
91.05476	0.9
93.07028	2.8
95.08624	2.1
96.05600	1.5
104.07132	1.0
109.10183	0.5
110.07184	3.5
116.05367	0.5
116.07104	1.6
119.08583	6.3
121.10132	0.6
122.07148	0.5
123.04454	2.1
135.43431	0.4
136.11240	0.6
137.09712	0.4
146.09241	6.5
147.08096	2.6
157.55234	0.4
161.10739	0.5
165.09105	0.9
168.07782	0.5
178.13380	4.4
180.15060	0.5
193.46217	0.4
200.09224	0.5
204.13812	0.6
206.12973	0.7
224.13945	29.5
242.11366	3.5
242.15074	2.2
253.59523	0.4
284.16064	17.5
310.17703	0.7
328.15146	48.4
328.18845	23.0
328.24228	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	328.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.03725	0.6
61.10471	0.6
64.53532	0.5
69.03436	5.5
72.08160	0.6
74.16482	0.7
85.02906	5.7
87.03230	6.1
91.05483	7.4
95.06087	5.4
97.02893	12.8
99.04455	2.9
103.05480	2.7
105.07033	1.4
107.04964	1.4
112.03947	5.8
117.08316	0.7
120.08100	47.9
127.03909	8.6
128.93179	0.6
129.07004	1.0
130.06546	3.8
131.04930	4.1
132.08090	36.1
134.09659	1.3
141.90492	0.6
143.05811	8.8
143.08563	0.6
144.08081	4.4
145.04938	1.0
149.06029	1.3
151.12267	2.4
156.08060	2.5
161.06819	6.6
162.09166	4.7
166.08632	15.0
168.08078	1.4
171.08040	1.3
174.09100	1.0
178.08615	6.5
184.07806	0.6
186.09082	1.5
198.09148	5.2
198.70164	0.6
199.94731	0.6
202.08611	2.8
204.10286	0.9
209.32584	0.7
210.09157	1.0
224.96838	0.6
225.16011	5.6
226.08569	0.7
228.10193	0.7
234.86658	0.6
244.09648	6.7
246.11275	10.3
264.12283	33.1
276.52411	0.6
282.13379	3.3
284.23340	4.3
292.08496	0.8
292.11780	25.3
310.12833	100.0
328.13907	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	9.6
69.07068	5.4
75.15539	4.4
81.07057	9.5
83.04985	5.5
83.08615	6.3
84.05453	5.9
85.10183	20.6
93.07037	10.1
95.04939	11.0
95.08598	7.5
97.10168	6.1
98.98489	6.2
105.07021	9.7
107.08593	8.3
109.10147	21.2
113.09660	12.4
137.02307	5.2
140.98975	5.2
152.24097	5.2
165.12793	21.1
219.01842	5.1
228.52675	5.4
277.21658	28.8
295.22711	100.0
309.24170	9.0
327.25195	21.0
327.29648	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	328.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19999	0.3
53.34008	0.3
54.03479	0.4
58.95102	0.3
67.04266	3.1
68.98025	0.4
70.06606	0.5
70.99603	0.3
72.08147	0.6
73.01149	1.9
80.05022	2.7
82.99548	0.4
84.04501	1.2
84.08162	0.5
85.01141	0.6
85.94209	0.3
86.00670	0.5
86.99046	0.3
100.02215	1.9
101.00608	1.4
110.00640	12.3
123.04447	0.7
123.09265	0.3
124.03978	0.5
125.04769	0.5
128.01672	100.0
135.49640	0.4
145.06577	0.5
146.02722	1.9
156.01157	2.7
167.07074	5.4
174.02213	93.5
192.07787	1.9
223.04201	0.6
232.04218	1.3
241.64189	0.4
264.06744	0.4
328.08389	7.9
351.45615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30162	0.7
55.05515	4.9
57.07079	1.4
67.05500	3.5
69.07076	7.4
71.04929	0.8
71.08638	15.1
72.65605	0.7
73.43256	0.7
79.05499	3.0
81.07070	11.3
83.05006	1.8
83.08606	3.7
85.06538	1.0
88.68880	0.6
93.07041	7.3
95.08613	11.2
97.06523	1.7
97.10154	2.9
99.08105	8.6
102.55540	0.7
105.07045	4.4
107.08602	9.5
109.06509	3.0
109.10181	6.3
111.08102	1.5
119.08606	2.9
121.10172	6.3
123.11679	1.8
133.10153	3.2
135.11694	1.7
145.10071	0.9
147.11707	1.3
149.13232	1.2
153.12767	1.4
163.14874	0.9
165.12790	6.4
175.14888	1.6
193.15872	3.0
235.16963	1.1
257.13397	0.8
263.23587	1.1
273.22174	0.9
291.23163	10.8
292.19882	0.9
309.24255	100.0
310.21271	0.7
327.25610	1.7
327.29636	0.7
336.12985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.3
55.05511	14.5
57.03429	4.2
57.07076	7.5
62.32615	1.7
67.05183	2.4
67.05513	50.7
69.07083	26.3
71.05009	16.8
73.21409	1.7
79.05505	19.4
81.06615	2.6
81.07066	69.6
83.08631	14.4
84.07172	2.0
84.09149	1.8
85.06521	12.2
91.05460	10.9
93.07047	32.4
95.08607	59.9
97.06537	6.8
97.10146	2.9
99.08086	4.0
105.07012	9.2
107.08601	26.0
109.09604	1.9
109.10170	30.5
111.08131	3.1
117.06970	3.3
119.08566	10.7
121.10152	39.8
123.08074	3.0
123.11686	10.0
124.50905	1.8
129.05450	3.2
131.08546	3.9
133.10126	14.7
135.11694	26.6
137.09593	2.5
145.10085	3.5
147.11679	8.4
149.09694	2.1
149.13251	8.4
157.10019	2.4
161.13226	2.2
163.11093	2.5
163.14815	2.5
171.11765	2.8
175.14810	3.3
185.13269	3.6
217.19499	9.6
235.20551	4.2
241.19510	3.8
259.20508	9.4
277.21603	13.2
295.22699	2.3
309.24164	9.5
327.25275	100.0
345.00562	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.3
55.05518	12.3
55.26882	1.1
57.03447	8.9
57.07084	2.5
61.26215	1.1
63.37053	1.0
67.05510	19.4
68.07426	1.1
69.07069	21.3
69.16609	1.1
71.08648	1.9
79.05481	1.7
80.98147	1.1
81.07063	27.7
83.08631	15.4
93.07039	2.4
95.08610	28.9
97.10150	7.4
107.08570	1.8
109.06562	1.1
109.10156	11.3
119.08549	1.2
123.11637	4.2
133.10144	1.4
137.13274	1.6
145.36546	1.1
146.51949	1.2
149.46381	1.1
151.14781	1.3
201.28900	1.2
235.20551	1.2
327.25284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.9
55.05516	13.8
56.23038	2.8
57.03442	5.0
57.07084	4.1
65.17199	2.9
67.05507	17.9
69.07073	15.8
81.07069	31.6
83.08622	7.6
85.88983	3.0
91.01949	2.9
93.07011	3.3
95.08606	30.3
97.10213	3.3
109.10156	14.7
184.94968	3.1
219.59616	3.0
327.25348	100.0
339.44394	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	327.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	2.9
55.05516	18.2
56.77253	3.0
57.03439	7.6
57.07067	18.9
65.80456	3.1
67.05507	58.7
69.07069	32.4
70.59027	3.1
74.63062	3.0
78.93311	3.2
79.05495	13.4
81.07068	100.0
83.04974	5.0
83.08637	26.0
85.06564	3.3
86.13501	3.6
91.05480	18.4
93.07034	37.1
95.08604	95.7
97.06525	17.1
97.10166	14.7
105.07035	16.0
107.08611	22.8
109.10163	39.5
111.08092	4.9
119.08569	21.3
121.10138	30.6
123.11696	19.5
133.10094	28.1
135.11702	33.4
137.13234	14.8
147.11690	19.2
149.13257	13.9
151.14760	8.4
161.13242	15.9
175.14786	5.5
193.19635	5.0
217.17545	5.2
217.19487	71.1
235.20572	64.3
309.24173	38.2
327.25269	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	327.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	20.1
57.03440	16.3
57.07071	25.2
63.32690	4.2
64.78002	3.5
67.05512	90.6
69.07077	39.2
71.08627	8.9
79.05485	21.7
81.07069	97.9
83.08615	24.2
85.02905	7.0
85.06541	8.4
90.13593	3.8
91.05489	24.8
93.07061	35.8
95.08611	100.0
97.06525	4.8
97.10177	17.4
99.08054	5.5
105.07051	20.9
107.08608	18.6
109.10167	58.1
111.08098	15.9
113.09610	5.3
119.08585	32.7
121.10133	31.9
123.11710	27.7
133.10101	37.9
135.11694	34.7
137.13251	17.8
147.11713	21.8
149.13225	5.2
151.14845	9.8
161.13274	19.4
175.14871	6.4
217.19533	90.9
235.20581	82.5
259.17636	4.7
309.24249	31.5
327.25616	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	327.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17809	0.3
65.82551	0.4
66.36948	0.4
69.07082	0.6
70.06600	0.7
71.34831	0.4
71.67987	0.4
72.04502	1.7
72.08154	4.0
84.08149	19.3
93.07086	0.4
93.97691	0.4
95.08594	0.9
98.09631	0.7
104.85078	0.4
108.83363	0.4
110.07154	0.6
111.05553	0.5
111.95608	0.4
113.10764	1.8
114.09174	28.8
115.08686	2.2
119.08578	0.6
127.08652	0.8
131.11772	0.8
134.34366	0.4
136.11226	4.4
137.09621	0.9
143.11812	51.5
154.12297	3.4
156.11343	4.4
157.13358	0.6
167.11784	0.5
173.13947	5.0
178.13490	0.8
179.11742	0.5
185.13841	0.4
196.14435	1.8
197.14021	0.6
214.15486	0.7
223.15570	3.1
241.16585	0.8
251.17470	2.3
253.16631	2.0
267.21036	0.4
291.21841	4.1
292.20258	0.4
308.67288	0.4
309.22858	40.1
310.21277	5.5
327.23911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31971	0.4
51.24142	0.4
53.33717	0.5
55.01878	1.1
62.48899	0.4
67.05505	0.7
70.06583	1.1
72.04517	0.7
72.08161	1.1
84.08150	11.0
84.79462	0.5
85.06525	1.1
85.18186	0.5
85.31696	0.5
91.05490	0.5
93.07043	4.3
95.08607	1.2
109.10167	3.5
110.69985	0.5
113.10760	6.8
114.09169	21.8
114.10303	0.8
115.08665	3.0
116.07027	0.7
119.08556	2.7
131.11786	1.0
135.08011	0.5
136.11206	7.5
137.09628	9.8
143.11803	33.3
154.12253	7.3
156.11324	10.1
168.11345	0.5
168.60464	0.5
173.13972	17.4
173.15387	1.0
228.28767	0.5
260.10767	0.5
277.96555	0.5
279.28918	0.5
291.21710	6.2
292.20206	0.8
298.97308	0.5
309.22849	39.3
327.23892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
60.05661	5.2
67.05490	1.2
70.06615	5.0
73.29838	0.6
79.05502	0.7
81.07058	0.8
83.04987	5.0
85.06541	1.2
91.05487	0.6
92.06190	0.7
92.77288	0.6
93.07052	9.3
95.04967	0.9
95.08595	4.1
95.44952	0.7
97.06522	0.8
99.75517	0.6
104.66535	0.6
107.08606	5.9
109.10178	6.7
113.10753	1.0
114.09161	3.7
116.07086	4.6
119.08596	1.4
130.09782	2.6
131.87747	0.6
137.09641	20.4
143.11807	1.3
154.12274	0.7
155.10675	30.5
156.11310	5.5
158.09230	1.4
173.13980	33.3
175.11876	5.3
237.17101	0.9
255.76193	0.6
296.96225	0.6
309.22665	1.0
327.23917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00466	0.4
55.65044	0.5
57.34406	0.5
58.11690	0.4
60.77176	0.5
70.05072	0.5
70.06580	0.8
72.04524	0.7
72.08146	3.1
76.41990	0.6
84.05591	1.0
84.08142	2.2
95.87373	0.6
114.09162	8.7
120.76234	0.6
121.76748	0.6
131.11850	0.9
136.11212	4.1
137.09656	0.6
142.54111	0.6
143.11801	10.2
154.12244	2.2
156.11371	1.6
173.14014	1.2
197.13959	2.8
223.15436	1.0
238.17880	2.3
239.18663	5.4
291.21671	4.2
309.22830	21.7
327.23898	100.0
335.47607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69599	0.7
67.05493	1.2
70.06239	1.1
70.06595	22.7
72.04511	3.2
72.08156	13.1
72.09346	0.7
81.07042	1.3
84.05640	1.0
84.08139	5.0
85.02900	0.8
93.07052	0.8
95.04951	1.7
95.08594	3.0
99.46426	0.7
102.04657	1.0
103.00096	0.8
103.05456	1.3
107.08605	1.0
109.10159	1.3
111.04452	1.2
112.08730	1.3
112.24707	1.0
113.10754	3.7
114.06686	0.8
114.09164	34.8
114.10335	1.2
115.08704	1.3
119.08572	1.5
131.04865	2.8
136.11203	1.4
137.05978	5.7
137.09572	3.1
141.13390	0.8
143.11792	17.2
146.55406	0.8
147.04347	1.0
151.03917	1.2
154.12221	1.1
156.11327	7.6
163.03891	3.4
163.10918	0.8
164.04234	0.9
167.12956	1.1
167.23900	0.9
168.11259	3.7
173.14001	10.4
175.11911	0.9
177.05406	0.9
177.12091	1.7
181.04951	3.2
182.04979	4.2
189.01804	3.2
189.07036	1.2
197.04413	4.8
207.02986	1.0
208.02884	4.5
209.13976	1.1
225.17094	64.6
227.15031	44.9
243.18153	3.5
248.13264	0.8
249.09074	5.3
275.36874	0.8
277.08585	7.7
283.09650	4.8
295.09396	1.4
297.11258	1.3
309.11105	3.3
309.22855	15.8
327.08795	16.7
327.12527	4.0
327.23895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33897	0.8
67.05502	2.3
68.89408	0.9
70.06583	7.3
72.08159	8.2
78.19331	0.9
81.07063	1.7
83.06099	1.3
84.05608	1.8
84.08167	7.3
85.02920	1.3
93.07031	4.5
95.08622	12.6
96.05577	2.0
103.05451	2.0
107.08573	2.1
109.10170	1.1
112.99294	1.1
113.10746	1.2
114.09169	26.9
115.50129	1.2
119.08591	2.0
129.06599	1.5
129.09175	1.1
131.04950	1.5
134.04568	1.0
135.11667	1.6
136.11206	1.6
137.05975	3.7
137.09645	1.7
141.05432	1.2
143.11803	14.7
147.79076	1.3
150.10258	1.6
153.12624	1.1
155.10655	1.7
156.11302	2.2
163.03897	4.0
165.09102	1.0
167.12894	7.6
168.11276	1.1
173.13985	5.7
175.11981	1.5
178.13429	2.4
181.04997	7.1
182.04939	28.2
197.04521	1.8
197.14001	7.4
208.02887	36.0
209.13994	13.6
243.83449	1.0
249.19586	1.4
277.08798	3.5
283.09741	1.3
291.21890	6.9
295.93744	1.0
297.22830	4.3
309.22784	19.4
322.08585	1.2
327.08688	23.6
327.12143	2.9
327.17221	5.0
327.23895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35482	0.4
54.12862	0.4
55.01885	1.0
67.05492	1.9
70.06581	0.5
72.08154	0.8
75.25430	0.4
83.04990	6.2
83.36101	0.5
84.08128	3.1
85.06554	3.4
93.06520	0.5
93.07050	4.5
95.04965	1.8
95.08604	2.6
97.06531	0.7
109.10165	9.3
110.07185	0.5
113.10795	3.6
114.09183	7.2
115.08700	1.0
119.08562	2.3
131.11801	0.6
136.11258	1.0
137.08580	0.8
137.09627	23.6
143.11813	9.0
154.12251	2.1
155.10677	30.1
155.11960	1.0
156.11331	7.2
173.13982	33.7
234.06393	0.4
237.17128	0.7
291.21793	0.8
309.22830	6.9
327.23911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72330	0.4
67.25056	0.4
69.07051	0.6
70.06589	0.8
72.04504	2.0
72.08167	3.4
84.08146	16.3
86.21920	0.5
95.08601	0.7
102.14389	0.4
104.47878	0.4
112.07573	0.4
113.10749	2.4
114.09166	26.9
115.08675	2.5
125.09560	0.5
127.08644	0.9
131.11812	0.9
136.11217	4.2
137.09578	2.0
139.66917	0.4
143.11795	48.5
145.55977	0.5
154.12273	4.7
156.11293	4.0
157.09689	0.6
173.12758	0.6
173.13998	5.1
178.13350	0.7
179.11812	0.4
196.14464	1.7
197.14056	0.5
214.15491	0.8
223.15536	4.2
241.16447	0.6
250.18935	0.5
251.17566	1.9
253.16594	1.9
291.21820	4.4
309.22830	38.9
310.21259	5.3
327.23886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97859	0.6
58.48027	0.6
60.59401	0.8
62.44740	0.6
68.20084	0.7
70.06604	0.9
72.04523	1.0
72.08150	3.5
84.07680	1.0
84.08154	18.9
92.18443	0.9
100.17388	0.8
110.07156	0.7
113.10708	1.4
114.09176	30.9
115.08681	1.7
119.08620	1.1
133.06572	1.0
136.11243	5.8
137.05998	4.5
143.11815	50.4
149.17477	1.0
154.12289	4.4
156.11287	4.1
157.09798	1.2
163.07751	1.3
173.13991	3.4
214.15404	0.8
223.15601	3.9
251.17558	3.0
253.16719	1.4
291.21790	4.6
309.22833	44.9
310.21155	7.2
311.62561	0.8
327.23926	100.0
345.46564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42266	0.8
69.07059	0.8
72.04517	1.1
72.08148	3.2
83.65342	0.7
84.08147	13.5
98.06023	1.0
109.10162	0.8
113.10773	1.1
114.09174	26.8
115.08700	1.7
118.58279	0.7
136.11238	3.4
137.05980	1.6
137.09628	1.7
143.11807	44.0
154.12291	4.0
156.11334	3.0
160.97946	0.8
173.14027	2.2
223.15535	3.9
226.48827	1.0
237.16716	0.8
251.17476	1.8
291.21750	4.2
309.19510	1.5
309.22897	37.0
309.26425	1.5
310.21271	4.8
327.23911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	19.3
69.07050	21.8
70.02650	9.9
81.07045	42.0
91.05494	20.9
93.07051	97.6
95.04953	100.0
95.08580	69.5
97.06505	16.9
105.07019	59.1
107.08582	50.3
109.06480	16.0
109.10159	43.9
119.08569	72.0
121.06465	18.4
121.10119	20.1
131.08566	21.9
133.10107	50.1
135.08096	17.0
143.08522	13.6
145.10126	52.0
149.09659	20.0
157.10074	21.0
159.11697	58.7
171.11736	14.9
173.13264	26.2
175.14742	12.5
181.09892	11.7
183.11650	14.0
211.14812	15.8
237.61761	10.9
239.23827	11.4
251.03746	13.0
327.22949	39.5
327.29874	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.217
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.80980	8.0
60.75109	8.9
65.44261	9.2
67.05518	15.1
79.05511	11.2
79.92690	9.0
81.03422	14.9
81.07047	23.5
83.08623	12.1
91.05485	9.7
93.07087	10.7
95.08604	100.0
105.07034	13.0
109.10156	11.3
109.24320	8.7
121.06480	12.0
141.09091	15.5
151.11093	12.8
181.12280	18.3
263.19992	14.7
281.21060	19.4
296.52771	11.1
309.20618	12.4
327.21552	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.8
57.03450	4.0
57.07081	4.4
61.83868	2.5
67.05519	47.0
67.40787	2.9
67.49386	2.8
68.27808	3.1
69.07077	37.4
71.08604	4.6
79.05496	22.6
81.03412	4.0
81.07063	54.6
82.61166	3.4
83.08620	20.4
91.05470	23.9
93.07050	80.8
95.04449	4.4
95.04984	62.8
95.08056	5.6
95.08612	100.0
97.06524	19.3
97.10175	4.2
105.07043	45.9
105.94765	3.0
107.08624	53.3
109.06560	4.5
109.10163	47.1
117.07039	14.1
119.08591	57.2
120.12679	3.8
121.06522	18.1
121.10163	38.3
123.08088	15.1
123.11695	12.2
125.09672	5.1
129.06979	4.6
131.08598	24.2
133.10141	41.4
135.08075	7.1
135.11682	17.9
137.13260	3.4
142.07814	4.3
143.08562	15.5
144.09402	3.8
145.10110	41.7
147.11748	18.2
149.09647	4.5
153.07024	6.0
156.09364	4.8
157.09027	3.6
157.10085	27.5
159.08096	5.7
159.11681	33.3
160.97429	4.8
161.09625	13.3
161.13188	5.0
169.10149	15.8
171.11676	15.2
173.13268	19.7
175.14850	21.4
176.96921	3.4
183.11758	6.6
185.13237	5.1
187.11253	5.8
187.14879	14.7
193.10271	4.3
197.13202	3.8
199.14824	12.1
209.13255	3.6
211.14786	4.8
215.14314	4.6
221.13208	4.1
233.03653	14.3
235.14838	3.8
239.17874	3.8
251.04565	6.0
251.38947	3.2
286.12445	19.1
309.22153	4.3
311.02692	5.5
327.07724	34.8
327.22534	11.6
327.25363	44.7
327.29361	7.0
348.72992	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	327.2168
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.05515	9.8
60.91170	9.4
67.05512	16.0
69.07104	14.7
71.14964	11.3
77.34617	10.1
81.07049	50.2
83.08617	20.3
91.86774	12.2
92.18407	14.8
95.04951	11.7
97.10165	59.4
107.08607	11.8
108.24903	10.7
111.04538	16.9
123.08067	16.5
125.09638	57.3
136.05330	13.0
163.11189	15.8
189.11180	45.0
291.19608	100.0
309.20590	86.5
327.12439	12.3
327.16174	17.7
347.30524	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2166
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01872	6.2
55.05522	31.4
67.05503	20.6
69.03429	5.5
69.07057	7.9
70.02572	3.6
71.94111	3.2
72.52920	3.0
78.59621	3.0
79.05481	7.1
81.03437	4.6
81.07066	49.3
81.62045	2.7
83.04966	13.1
83.08628	45.5
88.84179	3.1
93.07024	18.2
95.04969	11.9
95.08593	15.8
97.10169	96.1
99.08096	6.8
102.75858	3.1
105.07008	5.9
107.04984	3.9
107.08601	32.7
107.47066	2.9
109.10170	7.3
111.04441	6.1
117.07027	3.3
119.08582	6.0
121.10144	7.8
123.08066	34.7
125.09620	74.2
131.08546	4.2
133.10146	6.9
135.08044	5.2
135.11673	6.5
137.06036	4.1
137.09628	5.1
145.10124	4.4
147.08080	4.1
147.11629	5.9
149.09648	4.2
153.12711	3.6
163.11185	7.5
165.09047	4.1
170.69353	2.8
171.10167	14.8
175.11238	4.2
189.11232	47.9
193.12187	5.6
211.13208	3.7
220.79282	3.1
237.14850	5.1
273.18491	15.4
291.19528	93.9
309.20566	100.0
327.12323	19.6
327.21579	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	327.2169
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.56211	8.1
54.58632	7.7
55.98380	8.5
59.20906	10.6
59.69406	9.5
67.05493	15.4
67.97280	9.6
68.25329	8.4
69.07066	9.1
79.05467	15.0
81.07061	42.2
83.17438	9.5
92.17788	10.1
93.07049	38.7
94.87739	9.0
95.08618	57.3
98.18600	9.1
105.07018	13.9
107.08596	18.9
112.45686	9.8
121.10151	63.5
131.08562	11.5
133.10130	15.8
135.08040	13.8
135.11699	19.5
145.10141	16.9
152.50851	11.5
159.11681	15.2
177.89975	11.1
180.17314	10.5
201.62503	11.1
207.10143	44.0
253.55650	10.9
263.20078	22.2
273.18491	65.0
291.19684	100.0
293.48502	10.3
309.20621	55.8
327.12180	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	327.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07818	0.4
57.21656	0.4
69.93460	0.5
70.06601	4.9
72.08160	46.1
76.05135	1.1
84.05634	27.8
84.08131	2.6
85.02879	0.5
101.00872	2.2
103.02444	0.6
103.46576	0.5
105.06997	0.6
110.07111	1.0
114.09200	0.8
114.10282	0.5
116.07066	0.8
119.01919	7.3
121.02847	0.5
127.08713	1.7
132.04480	0.8
137.02982	1.0
138.10240	1.9
153.03906	0.6
155.08200	1.1
155.12889	1.1
163.03909	0.6
171.05070	0.6
173.09213	0.6
176.11801	0.6
179.01967	0.6
182.09236	3.6
192.11414	0.8
195.05049	0.7
197.02975	2.0
197.06567	0.6
208.67834	0.5
210.12320	0.8
215.03935	0.7
221.02930	0.6
222.12318	1.0
224.13817	0.5
227.05940	1.0
236.14017	0.7
237.16982	1.0
238.11830	10.0
256.12906	35.4
292.16791	0.9
309.19257	2.1
310.17621	2.3
327.05591	6.3
327.20267	100.0
345.06396	0.7
345.13147	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49260	0.5
70.06583	0.8
72.08148	2.4
73.06564	0.9
80.37119	0.5
85.02911	1.1
87.04456	3.1
89.06037	100.0
93.07063	0.7
95.04954	3.4
105.40828	0.6
120.08132	0.9
123.04409	2.5
130.93025	0.6
133.08612	45.8
145.02834	1.3
147.04393	2.7
151.96132	0.6
165.05505	0.9
165.09122	0.7
177.05481	3.3
177.11206	12.3
195.06456	0.6
221.13852	2.5
239.14835	1.2
283.17578	2.6
297.22757	1.2
327.20160	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	327.1596
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.01873	0.8
58.04501	0.4
64.18668	0.4
67.60189	0.4
71.55229	0.4
72.08154	2.8
72.68937	0.4
79.05491	0.9
81.07056	0.7
84.08145	2.5
86.09712	0.6
91.05477	1.9
93.07044	0.6
94.04219	0.8
95.04995	0.9
95.08616	1.0
103.05479	8.9
105.07035	4.8
107.04958	2.2
109.06530	2.6
114.09154	1.9
119.04980	0.8
121.06505	5.9
122.03645	2.1
123.04510	0.4
123.08077	1.6
131.04930	21.5
133.05475	1.0
133.06497	36.9
135.08057	13.2
137.05986	100.0
141.06920	0.4
143.04935	0.9
143.08572	0.7
143.11766	3.7
145.06491	7.5
147.08055	2.6
149.05959	1.0
151.07556	12.3
157.06451	1.8
163.07538	58.1
165.09024	0.5
171.08008	0.9
175.07570	4.5
177.09105	1.5
187.07553	0.6
188.08391	0.6
189.09122	2.2
191.33192	0.4
203.10719	2.2
235.11160	2.9
245.09616	2.1
249.09189	0.7
263.10727	3.6
267.10278	0.6
267.13861	0.8
277.08490	2.1
283.09616	0.5
295.09927	1.0
295.13260	20.3
309.22922	3.2
310.21579	0.6
327.09055	0.8
327.12463	2.8
327.15915	30.9
327.23907	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	327.1594
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
50.27068	0.4
51.23730	0.4
54.75648	0.5
58.84665	0.5
61.65821	0.5
73.30262	0.5
91.05475	1.1
103.05470	8.3
105.07047	4.9
107.04947	2.9
109.06491	2.1
117.06979	0.7
119.04935	0.8
121.06506	5.9
122.03629	1.3
128.81401	0.5
131.04935	21.2
131.05934	0.7
131.74608	0.6
133.05478	1.2
133.06497	34.4
135.08043	10.0
136.73441	0.6
137.05988	100.0
143.04907	0.9
145.06488	6.3
147.08032	2.6
149.05998	1.2
151.07558	14.3
157.06496	2.8
162.06604	0.6
163.07538	59.2
171.08047	1.1
175.07538	2.6
177.09129	1.2
182.48029	0.5
187.07497	0.8
189.09106	1.0
203.10660	2.5
207.08060	0.7
235.11195	2.9
245.09537	1.2
256.38107	0.6
263.10641	3.3
271.33572	0.6
277.08621	1.0
295.09906	1.0
295.13303	22.8
327.12436	2.2
327.15903	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	327.1593
Annotation	Limbatenolide E
Peak:m/z	Relative Intensity
69.07105	3.2
79.28693	3.0
81.07077	4.6
95.13774	3.5
99.04502	2.9
109.10211	3.4
211.11235	12.6
224.08487	4.8
225.09120	6.8
238.09938	13.5
239.10759	25.6
249.09108	3.7
252.07825	31.1
253.15909	6.2
266.09409	55.8
267.10168	34.9
267.13724	19.1
277.36316	3.1
281.15396	13.9
291.19382	3.6
309.14975	15.5
327.11966	4.7
327.15851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57926	0.3
55.89591	0.3
64.05436	0.4
70.06584	0.5
72.08176	4.8
84.04514	8.0
84.05605	0.6
84.08166	0.7
91.05480	3.6
93.07028	3.4
95.04981	0.4
98.37334	0.4
100.07603	0.5
113.10751	0.6
114.09180	9.5
115.08678	0.5
121.06519	6.7
123.65054	0.4
125.05991	0.4
126.12766	0.7
130.04994	5.4
131.11790	1.0
138.06758	0.8
143.11818	0.6
148.05280	0.4
149.05977	2.3
156.11293	0.9
163.03868	0.4
166.06288	4.2
181.08603	100.0
196.14445	0.7
197.13995	1.7
198.11293	7.1
214.15547	0.6
264.12372	4.9
267.20447	0.5
309.22903	6.4
310.12897	7.7
327.15524	34.0
327.23895	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1229
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
50.88955	0.4
55.11172	0.4
59.08128	0.4
68.10123	0.5
80.67127	0.5
107.04958	0.7
121.06509	0.7
134.03682	0.7
137.05980	8.9
149.05959	1.7
161.05951	7.3
163.07607	0.5
165.06914	0.6
175.07529	1.9
178.02376	0.5
179.07166	0.9
188.04703	8.9
191.07066	2.9
193.06577	3.9
195.08058	0.5
203.07036	23.2
205.08589	2.1
207.08105	1.1
210.06789	0.9
221.05969	11.2
224.08275	1.1
225.09106	12.6
234.06654	0.7
235.07602	3.0
238.06369	0.4
239.10591	1.9
249.09151	3.3
251.06972	0.9
252.07713	2.3
253.08577	19.0
266.09332	2.2
267.10138	13.6
269.07928	0.6
270.08759	0.8
277.08612	4.4
280.07312	3.5
281.11603	0.7
284.10413	0.7
285.11197	18.8
294.08774	3.5
295.09659	9.1
309.11169	11.0
312.09866	2.0
327.12271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1075
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
51.02387	0.3
67.98604	0.4
68.14807	0.4
69.03418	0.4
91.05476	6.1
93.07043	1.7
95.04971	5.2
103.05473	30.8
105.04510	0.6
111.67723	0.4
114.99857	0.4
119.04988	0.5
121.06504	12.1
123.04430	74.2
147.04411	100.0
165.05466	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	327.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00782	1.1
55.05479	1.1
60.08179	13.5
63.05749	1.3
65.03943	1.8
67.05517	10.8
70.06584	2.0
72.08144	6.8
72.53975	1.4
82.00275	1.6
82.99820	1.9
83.03152	1.3
83.04993	10.1
84.05618	6.3
85.01417	1.8
89.03642	1.4
93.03394	6.5
95.04946	7.7
95.06087	40.3
101.00884	27.9
103.02453	5.7
107.03428	3.3
111.04402	9.6
112.08658	1.5
119.01057	3.1
119.01915	83.1
121.02850	20.2
125.04466	2.9
127.02436	1.7
130.09740	8.2
130.76556	1.3
137.02942	13.8
139.03908	13.9
141.03983	2.2
145.03450	7.0
147.01402	8.0
153.03943	14.4
154.12119	2.4
154.13382	55.8
163.25389	1.4
165.02556	1.7
169.03439	2.1
171.05028	16.2
177.04027	1.7
178.56351	1.5
179.01936	11.1
179.05498	1.9
189.02455	9.0
195.04994	17.5
197.02971	33.4
197.06599	3.2
198.12379	78.6
203.01921	3.2
211.04491	2.6
213.06032	1.7
215.03995	15.5
221.02925	13.0
223.04503	6.7
239.04012	10.4
241.05550	1.7
249.02643	1.6
256.12833	2.9
257.05054	23.9
267.03415	2.0
285.04587	9.1
327.05603	100.0
327.20242	18.9
345.06750	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	327.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	1.0
55.05498	1.9
55.82519	1.3
63.30448	1.1
65.03942	3.1
67.05519	15.5
77.32827	1.2
83.04968	8.5
85.02901	5.5
93.03404	11.4
95.04969	6.1
101.00895	29.7
103.02457	5.5
107.03507	1.6
111.04462	11.1
112.32682	1.2
119.01921	97.9
121.02847	22.7
122.24920	1.5
125.04506	2.4
127.02511	1.3
137.02968	17.3
139.03926	16.9
142.03642	1.5
145.03510	11.2
145.04521	1.2
147.01392	9.3
151.06013	1.5
153.03978	12.5
163.04474	1.5
165.02463	3.2
169.03433	5.2
171.05055	10.2
179.01823	6.7
185.35165	1.6
189.02391	9.5
192.78134	1.5
195.05040	16.1
197.02971	32.2
197.06598	3.1
203.01805	6.5
211.04446	10.3
213.06078	2.2
215.03947	9.4
221.02937	19.9
221.35759	1.3
223.04433	2.8
239.03999	16.7
241.05585	5.7
257.05063	29.0
259.06659	1.9
267.03476	2.2
285.04498	7.1
307.63718	1.3
327.05609	100.0
327.20325	2.2
341.68823	1.5
345.06638	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	326.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07077	0.7
70.06598	5.1
70.06907	0.7
72.04506	3.5
72.08149	4.9
78.92068	0.6
84.08148	51.3
86.09698	3.3
93.07065	5.1
95.08624	1.0
97.94942	0.7
98.06046	0.9
107.08590	5.4
109.10085	1.0
114.09171	42.0
115.08670	6.0
122.09919	0.6
127.07816	0.8
127.08689	13.8
131.08559	0.7
132.10175	0.8
134.92993	0.7
135.08034	1.5
135.11681	4.3
143.11807	60.5
143.86424	0.7
144.11250	1.1
149.09639	5.1
157.09712	7.2
160.07584	2.7
186.09180	4.1
186.12416	1.3
187.09880	0.7
215.11763	0.7
249.19673	1.3
250.17961	3.6
265.22739	5.2
267.20667	0.8
308.18594	3.3
308.23257	0.7
326.24371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
55.26143	0.4
60.04522	0.5
64.34604	0.4
67.05480	0.4
67.46069	0.4
69.07051	0.9
70.06594	3.7
72.04504	3.0
72.08164	5.4
79.05470	0.5
81.07045	0.9
81.98946	0.4
82.21740	0.4
83.08617	0.4
84.08147	49.3
93.07027	5.3
98.06019	1.8
101.10808	0.5
107.08582	4.3
109.10171	0.6
110.95052	0.5
112.07578	2.3
114.09169	40.8
115.08714	4.7
125.10757	0.8
127.07803	0.7
127.08670	13.0
131.11777	0.9
135.11681	5.7
143.11803	65.4
144.11346	1.5
149.64098	0.4
152.14355	1.0
157.09734	6.3
157.13336	1.0
164.14339	0.6
186.09038	0.6
186.12315	1.9
193.13373	0.6
197.16461	0.8
206.18938	0.6
232.16977	0.8
249.19576	3.2
250.18050	4.2
261.21991	0.4
265.22824	4.1
267.20511	1.0
271.74768	0.5
308.25345	0.8
326.24313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56328	0.4
69.03513	0.7
69.07063	1.2
70.06570	4.0
72.04520	3.0
72.08167	6.9
81.02235	0.6
82.18998	0.6
84.08147	50.6
93.07044	4.4
96.93436	0.6
98.06036	1.5
100.32371	0.7
103.91209	0.5
107.08591	4.9
109.10166	1.5
112.07607	1.2
114.09175	35.7
115.08696	6.9
120.05848	0.6
121.67022	0.6
125.10735	1.0
127.08701	10.8
131.11792	1.5
133.13719	0.6
135.11693	4.3
143.11803	71.9
144.11267	1.1
157.09734	7.4
157.13329	0.7
186.12335	1.4
194.99754	0.7
196.15703	0.6
197.16563	1.0
209.16458	1.0
249.19646	4.1
250.17992	3.7
265.22690	4.3
267.20612	1.5
308.23181	1.0
326.24371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	1.2
58.74080	0.7
59.59054	0.7
72.08163	84.4
75.09236	0.9
80.94566	0.8
95.06091	1.4
100.07600	3.4
101.07154	1.0
110.07177	1.0
112.11245	3.4
113.07141	3.8
123.04436	1.1
129.13921	1.8
153.05499	3.8
155.11794	35.8
156.07640	1.6
163.03885	19.3
164.07045	4.2
192.06560	4.7
192.10219	1.2
208.09647	1.1
220.09692	44.6
223.10794	1.5
237.12419	4.4
238.10747	45.5
255.13445	4.3
291.16980	5.0
303.17740	4.8
308.19751	5.7
309.18100	13.4
326.20792	100.0
326.37042	1.0
348.05206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78844	0.3
58.17668	0.3
58.29880	0.3
59.38781	0.4
59.54832	0.3
63.58492	0.3
106.68272	0.4
115.53346	0.3
118.13689	0.3
121.01395	0.8
137.00829	6.7
139.02428	0.5
152.99371	1.0
153.00340	46.8
155.01900	20.8
171.01398	100.0
178.03569	0.6
194.02979	2.3
218.65215	0.4
219.08691	4.2
221.10229	8.2
237.09735	25.3
240.37135	0.4
285.16956	8.1
303.18054	85.7
326.19836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40559	0.4
54.04311	0.5
56.45345	0.4
59.06194	0.5
69.07061	3.0
70.06580	1.2
72.08134	3.0
79.05476	2.9
81.07049	0.9
84.08148	0.6
85.02829	0.7
86.09711	100.0
89.03939	0.7
91.05486	1.9
93.07025	2.3
97.06525	1.0
99.04485	0.8
103.05463	6.6
107.04957	3.3
107.07879	1.0
107.08598	26.6
109.06522	3.0
109.10191	1.1
115.60977	0.6
119.04930	0.6
119.08597	1.1
121.06515	1.1
121.10137	7.3
122.09666	1.2
123.04456	0.6
123.08083	1.1
128.10698	0.9
131.04919	3.8
131.08537	3.1
132.10213	42.4
135.04424	3.1
135.08064	64.4
137.05991	0.6
137.09595	3.7
145.02817	2.5
147.04381	0.8
149.09628	45.7
160.03889	1.1
163.03900	18.5
164.04227	0.8
167.10654	3.6
177.09091	3.6
178.05002	13.1
184.03932	0.6
195.10161	3.0
202.04916	1.0
218.16028	0.5
220.09772	0.8
220.17010	7.7
244.16882	0.9
244.60992	0.6
248.16476	0.7
250.17876	0.8
261.04236	1.3
262.04596	4.7
262.08682	0.9
262.17972	7.8
266.08850	0.5
266.17493	11.4
268.00479	0.5
268.15366	2.5
280.09695	47.4
280.19119	8.6
285.06073	0.9
290.17517	1.0
296.18573	1.0
308.09259	11.9
308.12906	0.8
308.18582	29.7
326.10278	21.5
326.15680	3.7
326.19589	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	326.1965
Annotation	Awajanomycin
Peak:m/z	Relative Intensity
55.05515	1.0
58.93669	0.4
65.03918	0.4
67.05511	6.9
68.96204	0.4
69.03424	0.5
69.07088	4.5
72.08153	1.0
78.55964	0.4
79.05476	0.9
83.04988	3.1
86.09714	80.1
93.07052	2.8
95.04969	0.8
95.08611	0.9
105.07069	0.7
107.04965	0.7
107.08604	15.5
109.06520	0.8
109.10124	0.5
111.04446	1.8
111.08085	0.9
116.14001	0.4
119.08573	0.6
121.10186	3.9
123.08070	4.0
125.09666	0.7
130.08624	0.7
131.08559	2.6
132.10210	21.2
133.10133	0.4
135.08058	32.8
137.09605	0.5
149.09628	100.0
151.11182	4.4
152.10722	0.7
153.05519	0.5
153.09117	9.6
159.08064	0.7
167.10748	0.5
177.09085	7.8
178.12294	0.4
194.11789	2.7
195.10182	17.0
195.11880	0.8
206.11765	1.8
211.12041	2.1
214.43375	0.4
229.82278	0.4
244.16939	1.8
262.18027	24.0
266.17432	0.7
280.19110	11.8
290.17493	2.6
308.18567	70.3
326.19656	31.7
326.26151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1967
Annotation	Awajanomycin
Peak:m/z	Relative Intensity
53.08207	0.8
67.05502	3.9
69.03425	1.7
69.07068	4.8
72.02508	0.8
72.08162	5.6
79.05493	1.4
83.04998	1.4
86.09713	64.6
87.04477	3.5
91.05482	1.2
93.07026	1.3
95.08627	1.0
98.09688	1.0
101.06026	1.3
105.07058	1.3
107.08587	11.1
109.06523	1.0
109.10163	1.7
110.07168	5.3
114.10278	1.0
116.10676	0.8
119.08598	3.8
121.10149	7.2
123.08065	1.6
130.08604	0.9
131.08566	11.3
132.10204	20.9
133.10136	4.2
135.04465	1.0
135.08066	39.3
144.10222	3.1
149.09625	100.0
151.11198	4.6
153.09114	4.1
156.07700	5.3
159.08038	6.1
160.11227	4.8
176.10684	4.1
177.09132	13.9
188.10683	1.1
195.10173	8.0
206.11786	1.6
206.55278	0.9
216.17574	1.4
244.16951	18.2
262.17990	24.3
280.19107	3.6
290.17569	9.7
308.18561	67.7
326.19656	25.3
326.23172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1964
Annotation	Awajanomycin
Peak:m/z	Relative Intensity
59.05009	9.5
63.17158	1.0
64.70522	1.1
67.05506	1.2
69.07076	2.4
69.87572	0.9
70.06601	0.9
72.08159	2.4
73.90824	0.9
79.05528	1.4
81.07055	1.1
81.10471	1.0
82.76514	1.0
86.09713	100.0
93.07058	4.3
93.60240	1.0
95.08635	1.9
107.08604	27.3
109.06503	1.2
109.10185	2.5
114.10336	1.0
117.09109	1.5
121.06458	1.1
121.10179	6.3
127.82153	1.1
131.08571	1.6
132.09233	1.6
132.10217	41.5
135.01770	1.0
135.08066	70.1
137.06067	1.2
137.09619	1.6
149.09634	40.4
163.03920	7.9
163.61032	1.0
177.09196	3.5
213.98776	1.1
220.16954	7.1
262.18024	7.5
262.21744	1.3
266.17514	11.9
280.19101	7.3
280.22723	4.7
290.17401	1.8
308.18570	28.4
308.22073	1.8
326.15298	5.1
326.19629	44.6
326.23300	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	326.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65180	1.2
58.26501	1.0
67.05504	1.6
67.93633	1.3
69.07080	1.8
79.05453	1.2
81.07047	2.8
86.09711	46.9
91.05524	1.4
105.07041	4.8
109.10148	1.4
121.10128	1.4
132.10222	17.8
135.08051	6.2
147.74596	1.3
149.09627	100.0
154.36223	1.2
166.12312	7.0
173.22330	1.2
177.09045	1.3
177.64584	1.3
178.08691	2.2
184.13342	11.0
202.14427	10.6
250.18449	1.3
262.17996	13.8
288.21683	1.4
290.17944	1.7
308.18634	29.0
317.13174	2.0
326.19589	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	326.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84647	0.6
53.03959	1.0
54.02716	0.6
55.01894	0.7
55.05506	3.7
57.03434	2.9
59.04991	1.3
61.02935	9.6
67.01183	0.7
69.03434	10.8
70.06594	3.6
71.04992	1.0
72.08140	2.8
73.02915	4.1
81.03410	6.1
83.08624	25.4
83.18814	0.6
85.02910	100.0
86.09727	0.8
87.04462	3.5
91.03944	6.5
97.02301	1.2
97.02895	25.3
99.04482	4.8
101.09655	17.5
103.05521	0.7
107.42226	0.6
109.02878	8.0
110.07161	1.3
115.03903	0.8
119.10713	2.9
127.03918	23.9
131.04904	0.9
133.47061	0.6
145.04964	43.0
147.10187	8.0
157.58908	0.7
163.06021	14.6
167.21942	0.6
178.34366	0.6
183.14801	0.8
215.64066	0.6
227.42851	0.8
280.20175	3.4
309.15469	4.3
326.07504	4.3
326.20618	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	326.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31762	0.3
63.73482	0.3
67.70248	0.3
70.06609	2.9
71.55336	0.3
72.08154	1.4
84.05638	20.1
84.08108	0.4
85.02895	0.4
86.09676	0.4
87.04481	4.6
92.18369	0.4
94.06605	0.3
96.05621	0.6
97.02869	0.3
98.06038	0.6
114.09207	1.2
134.09596	0.4
152.08200	2.0
156.75481	0.3
170.09251	53.9
171.10043	1.4
171.12186	0.4
176.11887	0.4
194.12859	0.4
195.13397	0.3
213.12355	1.4
222.12370	1.1
240.13438	0.3
262.15506	1.4
264.17078	1.7
280.16550	1.4
280.87769	0.3
290.15005	0.5
290.20560	1.8
298.17615	0.4
308.16113	6.1
308.21484	3.0
326.17111	100.0
326.22745	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	326.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.6
53.54208	0.8
55.01879	4.6
57.03436	4.0
61.02925	3.8
62.82631	1.0
69.03094	1.5
69.03438	24.5
70.06600	7.6
71.04992	4.2
71.49416	0.9
72.07801	1.3
72.08162	21.4
72.36018	0.9
73.02914	6.1
73.08482	5.5
76.27040	0.9
81.03424	15.3
85.02913	100.0
87.00840	38.9
97.02896	31.7
99.04462	15.0
99.10105	1.1
101.61835	0.9
105.01877	93.6
108.04533	1.1
109.02880	26.5
111.56034	1.1
113.10773	12.9
113.60287	1.1
114.09176	10.1
114.10331	4.5
114.11113	7.4
115.09502	4.8
115.10629	1.3
117.01901	1.0
126.05496	1.5
127.03918	78.2
128.10738	9.9
129.01862	2.4
129.11073	6.4
131.11847	7.0
132.12140	4.7
135.04460	3.9
136.04750	1.8
137.80341	0.9
145.02892	1.5
145.04965	30.2
145.13348	1.9
146.03191	3.9
147.98628	1.0
150.75429	1.0
153.05498	2.2
154.05803	2.3
159.02922	15.6
163.03909	84.3
164.04239	89.3
187.06024	1.0
192.08461	1.0
211.14491	1.3
213.03947	1.6
213.12318	3.7
231.04980	29.7
234.11246	1.7
235.11601	8.3
249.06058	16.1
267.14206	1.0
268.10934	1.1
276.14178	1.4
291.10861	5.3
293.15039	4.3
294.15283	75.6
308.16794	18.0
308.22305	1.2
326.14536	4.2
326.18665	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	326.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36265	0.5
53.03951	1.2
55.01875	4.1
55.41098	0.5
57.03434	2.9
60.51643	0.5
61.02930	4.1
68.99803	0.8
69.03438	24.8
70.06596	7.7
71.05009	4.3
73.02916	4.7
76.65734	0.6
81.03428	12.9
85.02912	100.0
86.09714	2.5
87.00838	42.9
91.03971	1.3
97.02903	31.9
99.04461	14.9
101.02383	0.9
103.03950	0.7
105.01878	99.6
108.04503	1.4
109.02888	28.4
115.03872	0.8
116.07099	2.6
117.01842	0.8
126.05527	1.3
127.03921	74.9
129.01854	4.6
132.08098	4.1
145.04965	31.2
147.02910	2.4
159.02885	11.3
163.83904	0.6
170.09184	0.7
178.08617	1.3
189.03957	2.8
211.14439	3.0
213.03915	4.1
213.12344	6.8
231.05003	30.9
248.07631	1.0
249.06070	20.9
251.46234	0.7
273.09875	0.8
291.10562	5.7
293.62274	0.6
318.14792	0.7
326.14450	3.7
326.20642	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	326.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63864	0.2
66.05650	0.3
70.06599	2.0
71.12229	0.3
72.08160	1.5
84.08179	0.4
85.02910	0.4
88.14461	0.3
89.30395	0.3
90.11301	0.3
91.05499	0.6
92.99268	0.3
100.72176	0.3
103.03944	3.5
103.05476	0.6
105.07043	6.1
110.07201	0.3
115.05462	0.5
117.05781	2.3
120.08092	0.6
124.90833	0.4
127.05168	0.3
129.09164	0.3
130.06526	3.6
131.03368	2.7
132.08095	100.0
134.17503	0.3
142.06512	0.6
145.02907	0.5
145.04996	1.1
150.09145	1.4
156.07672	0.3
160.07576	0.4
163.03923	0.7
177.05460	1.4
178.06065	2.1
178.08638	15.8
178.10196	0.7
179.06358	0.3
220.09653	0.7
251.52841	0.3
262.10651	3.1
280.11798	30.3
308.16989	1.0
326.12363	19.5
330.74869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.26
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04521	0.5
64.04603	0.4
69.07062	2.1
70.06599	5.1
72.04504	3.1
72.08157	5.0
79.05490	0.9
81.07054	1.1
84.08150	25.4
85.02889	1.0
93.07042	5.0
100.07613	0.6
107.08582	3.3
109.10149	0.9
112.07578	2.4
114.09175	26.7
115.08667	3.1
125.10776	0.5
131.11749	2.2
135.11684	3.3
143.11801	31.3
145.04993	0.6
150.12813	0.5
157.09756	2.9
194.16585	0.9
196.15717	0.7
197.16537	1.9
209.16547	0.9
212.17625	0.6
239.18658	2.4
248.94769	0.5
249.19403	1.4
265.22678	3.6
283.23727	2.3
307.24890	5.0
308.23337	0.9
325.25977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06599	0.6
57.21576	0.5
59.05549	0.6
59.53786	0.6
64.90183	0.6
69.07072	0.8
70.06602	4.8
72.04510	3.4
72.05630	1.0
72.08159	4.6
81.07047	0.8
84.08149	28.5
93.07020	4.6
98.06078	0.7
107.08600	4.9
109.10156	1.3
112.07591	2.6
114.09173	32.0
115.08691	4.1
131.11827	1.4
135.11690	3.5
143.11804	43.3
156.11319	0.8
157.09708	4.4
183.14793	0.8
185.13971	0.8
194.16498	1.0
197.13994	0.7
197.16493	2.8
237.08517	0.7
239.18578	0.7
249.19460	1.0
265.22754	2.6
282.54840	0.8
283.23752	4.1
307.24927	3.5
325.25974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.6
57.07087	0.7
59.05004	1.2
60.65958	0.6
61.39289	0.6
67.05488	3.0
69.07073	10.3
70.06580	0.9
72.08130	0.7
73.06590	0.9
75.29533	0.6
79.05479	4.6
80.35013	0.7
81.07059	8.2
82.06593	5.4
83.04974	2.8
83.08601	1.1
84.08143	3.1
85.02906	2.7
85.06531	2.9
93.07050	13.3
95.08601	6.7
96.08142	0.9
97.06536	56.9
105.07008	1.4
105.86183	0.7
107.08587	4.0
109.10135	3.6
111.08076	6.6
113.10754	2.6
114.09190	8.0
115.08647	1.7
119.08556	1.0
121.10157	14.5
123.11673	3.2
125.09590	1.1
128.20737	0.7
135.11719	2.4
135.23944	0.7
137.05930	1.4
138.12782	28.2
139.11273	0.8
143.11792	8.4
152.11768	0.7
152.19946	0.7
153.12746	26.7
156.11351	7.1
173.13991	13.9
175.07578	2.7
180.15001	0.9
225.17200	0.8
232.83246	0.7
237.17125	3.0
289.25217	1.4
293.23361	64.6
307.26080	3.8
325.10718	1.6
325.25974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
59.04990	0.9
59.67462	0.5
64.15707	0.5
66.86982	0.5
66.98295	0.5
69.07040	0.9
71.04990	11.5
72.08155	2.5
73.06553	0.9
79.05502	1.1
81.07059	11.8
84.05637	8.6
84.08122	1.4
85.02900	4.5
92.18439	0.8
93.07055	12.1
95.08616	1.3
97.06532	1.3
100.07626	6.8
107.08611	11.2
109.10150	1.5
113.10775	6.5
114.09166	13.4
114.11598	0.6
115.08677	3.4
127.03865	0.9
131.11804	2.6
135.11707	22.4
143.11809	3.0
145.04947	0.9
153.12746	29.2
156.11310	10.1
173.13989	15.6
183.12415	30.0
189.84494	0.6
192.57874	0.6
203.33878	0.7
226.15532	0.9
228.58606	0.6
325.22324	52.1
325.26028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66879	0.2
54.45613	0.2
55.05513	0.5
57.07076	0.5
60.05656	0.3
67.05503	1.2
69.07065	0.7
70.06578	0.6
71.04988	0.5
72.04505	1.5
72.08158	3.3
73.04029	0.3
73.78346	0.3
79.05512	2.1
81.07044	1.6
83.08592	0.5
84.08134	0.7
85.06544	23.8
91.05455	1.7
92.18398	0.4
93.07046	15.1
95.08604	4.8
105.07047	0.3
107.08595	9.6
113.09979	0.7
113.10770	21.5
114.09168	42.6
114.10384	1.2
115.08697	8.2
131.11798	6.1
135.11703	3.6
143.04890	0.4
143.11777	0.6
156.11317	29.2
171.04414	0.5
173.13977	34.6
237.87968	0.3
241.20323	0.5
250.06090	0.4
265.08478	0.4
307.24838	4.5
314.92340	0.4
325.10849	1.2
325.25964	100.0
333.76590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17268	0.5
54.78907	0.6
60.05635	0.7
62.38416	0.5
63.91110	0.5
64.26086	0.5
66.27942	0.5
67.05505	0.6
69.07063	1.1
72.04489	0.9
72.08149	2.8
77.43787	0.5
79.05491	1.5
81.07066	12.9
82.34242	0.6
91.05491	0.8
93.07054	13.2
93.84736	0.6
95.08637	1.9
107.08617	9.7
109.10168	1.3
113.10780	26.2
114.09175	47.1
115.08686	11.7
115.46531	0.6
131.11826	6.2
135.11726	6.0
135.92220	0.6
156.11331	30.3
173.13986	28.0
179.03436	0.6
307.24896	11.6
325.25992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89407	0.6
67.05509	1.1
69.07079	0.9
71.04979	0.7
72.04516	1.2
72.08156	2.7
79.05494	1.2
81.07055	1.6
83.85565	0.6
85.02881	3.4
85.06551	5.8
91.05468	1.5
93.07056	19.4
95.08623	6.1
107.08612	12.7
113.10769	22.2
114.09180	45.9
114.10332	1.5
115.08678	10.2
127.03992	1.0
131.11829	7.0
135.11731	1.6
137.09660	0.9
156.11333	28.5
173.13994	35.3
183.54819	0.6
189.13487	1.0
307.24939	1.2
325.22476	6.7
325.25983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76754	0.6
54.96124	0.6
55.05519	0.9
57.07077	0.6
60.05649	0.8
69.07067	12.2
70.06581	0.8
72.04513	2.6
72.08144	4.3
78.66005	0.7
79.05489	1.2
85.02930	0.8
93.07034	2.6
107.08603	1.6
113.10771	22.0
114.09174	55.8
115.08672	8.1
131.11800	8.8
132.57100	0.7
135.11636	0.9
156.11325	30.0
157.09752	0.9
173.13972	33.5
231.63867	0.8
283.23773	0.7
325.25983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06335	0.5
55.41929	0.4
57.83838	0.4
59.04990	2.1
67.05524	0.5
68.06113	0.5
69.07068	5.2
70.06592	1.2
71.76112	0.5
72.08148	0.8
79.05499	4.5
81.07046	0.7
81.79319	0.5
82.06580	5.3
82.76949	0.4
84.08152	3.9
85.02892	0.7
85.06554	0.8
86.72552	0.5
93.07043	10.5
95.08562	0.6
96.08125	1.0
97.06532	58.3
111.08080	5.4
111.26866	0.4
113.10754	2.5
114.09174	10.5
115.08671	2.1
121.10149	13.4
122.06832	0.4
131.11797	0.7
138.11728	1.0
138.12787	28.2
139.95950	0.6
143.11804	8.9
153.12733	26.0
153.41943	0.6
156.11319	6.9
164.78970	0.5
170.65292	0.6
173.13968	14.2
175.60843	0.5
180.14922	0.7
185.13966	0.7
224.16409	0.6
237.17035	3.2
293.23346	63.0
307.24942	1.1
325.25974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36974	0.4
55.05503	1.0
62.08413	0.6
67.05521	0.7
69.06704	0.6
69.07069	11.8
70.06612	0.6
72.04498	3.0
72.08157	4.4
79.05486	1.2
81.18514	0.5
83.08597	0.6
84.08136	0.8
85.02901	0.8
93.07011	3.0
95.08612	0.7
107.08598	2.7
108.16699	0.5
109.10164	1.1
113.10770	22.8
114.09166	54.6
115.08678	9.1
131.11812	9.6
135.11668	0.9
143.11775	0.6
149.32027	0.5
156.11325	28.0
165.84395	0.5
173.13972	29.5
265.22458	0.8
283.23969	0.8
307.24844	0.7
325.10706	1.2
325.25983	100.0
345.58929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56691	0.5
55.05511	0.8
59.05014	0.6
66.95959	0.5
67.05508	0.6
70.06608	0.5
71.05074	0.5
72.04518	1.3
72.08134	3.3
73.87048	0.7
79.05491	3.4
81.06614	0.7
81.07075	15.0
91.05487	0.7
92.17854	0.6
93.07057	12.4
95.08572	2.3
107.08611	11.1
109.10173	2.6
113.10773	23.6
114.09175	47.6
114.10378	1.8
115.08699	9.3
131.11818	7.3
135.11668	5.2
152.48825	0.6
156.11334	30.3
173.13983	32.3
238.17734	0.7
305.07495	0.7
307.24899	12.8
325.25995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	16.3
55.05503	54.8
55.27736	11.3
67.05500	49.2
69.07054	23.0
79.05482	19.1
81.03420	12.2
81.07059	100.0
81.22125	11.5
83.08631	23.8
91.05473	22.9
93.07022	53.4
95.04980	19.8
95.08595	73.7
105.07035	28.2
107.08570	60.8
109.06475	13.5
109.10146	48.1
110.90992	11.7
119.08575	18.3
123.11771	14.6
125.09641	17.5
133.10124	70.2
135.11705	16.8
135.58397	14.3
145.10118	16.2
151.11183	24.9
163.11189	15.1
228.70445	15.5
250.00510	13.0
275.20038	84.8
293.21152	98.9
307.22699	67.8
325.23563	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	325.2377
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
55.05515	34.2
57.03435	8.1
57.07068	6.3
63.15420	8.2
67.05521	75.4
69.07067	43.6
71.20505	8.0
79.05499	44.0
79.47509	7.8
81.07084	87.9
81.97392	8.7
83.05022	10.1
83.08612	34.1
91.05502	31.4
91.19269	8.4
93.07047	47.5
95.04993	17.4
95.08603	80.2
99.08080	10.0
105.07048	39.6
107.08615	73.5
109.10174	60.2
119.08623	15.4
121.06522	16.5
121.10129	16.0
123.08123	9.0
123.11739	10.9
125.09678	13.0
127.69358	9.0
131.08589	14.9
133.10179	68.6
135.11671	17.8
137.09654	16.3
138.76544	8.9
142.50789	8.2
145.10109	19.2
147.11656	12.6
151.11235	76.5
163.11206	32.8
179.10683	14.8
183.13805	20.6
224.13493	8.2
247.20551	13.3
257.19302	10.8
265.21591	15.0
275.20126	91.7
284.29617	11.4
293.21204	100.0
307.22803	86.4
325.23474	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2376
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
50.14758	0.5
55.01886	0.7
55.05521	3.7
59.68221	0.5
60.57624	0.5
65.03437	0.5
67.05498	2.3
69.07072	3.0
71.08640	13.0
72.16158	0.5
73.26103	0.4
79.05482	2.1
81.07056	2.9
83.08613	2.7
91.05464	0.7
93.07059	3.6
95.04987	1.0
95.08603	2.0
97.06515	0.7
97.10168	7.1
99.08097	7.6
101.18049	0.5
105.07044	0.9
107.08596	3.5
109.06512	0.7
109.10185	0.8
117.16903	0.5
121.06487	2.1
121.10139	1.0
125.09656	5.5
130.57849	0.5
135.08046	1.1
151.11165	1.2
153.09172	0.8
187.72983	0.6
195.90637	0.6
203.12802	2.8
204.52397	0.5
257.18903	0.9
266.91058	0.6
275.20026	5.4
293.21106	100.0
307.22696	17.6
307.26276	0.7
325.23682	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	325.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71525	3.0
69.82162	3.6
71.08631	7.0
81.07059	4.3
83.08647	4.6
95.08556	3.0
95.69881	2.8
97.10169	5.1
99.00612	2.8
99.08064	4.0
99.61981	2.7
112.84769	3.0
115.75443	3.0
122.61888	2.8
127.28164	3.0
200.76817	2.8
245.65001	2.9
247.86346	3.4
263.06094	2.9
285.24661	3.0
293.21136	100.0
307.22717	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	325.2377
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
51.81464	2.0
55.01881	3.2
55.05523	26.2
66.69968	2.3
67.05515	21.4
69.03436	5.1
69.07079	5.5
71.04991	3.9
71.08633	20.5
79.05496	18.2
81.03433	15.3
81.07066	25.3
83.04985	10.9
83.08636	29.8
91.05476	6.3
93.07047	13.1
93.46895	3.0
95.04973	35.0
95.08602	11.1
97.10181	33.2
99.08112	13.1
105.07047	3.4
107.04984	3.0
107.08626	19.1
109.06533	4.4
109.10175	12.6
111.04448	13.0
111.08082	5.4
117.07038	3.4
119.08611	5.5
121.10151	6.1
123.11647	3.8
125.09641	25.3
131.08525	6.0
133.10132	3.2
135.08046	6.1
135.11716	14.3
145.10075	3.9
147.08095	2.8
147.11676	3.7
149.09589	11.4
149.13229	2.5
151.11256	3.8
153.12827	4.9
157.10187	3.2
161.13202	2.7
163.11203	33.3
165.12750	17.7
167.10655	3.1
175.11240	4.1
191.10657	2.8
193.12384	4.1
195.13821	4.6
203.12634	3.2
275.20108	21.7
293.21130	100.0
307.22827	15.9
325.23694	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	325.2377
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.01878	12.1
55.05523	29.4
57.03448	24.2
67.05515	24.2
69.03449	3.5
69.07066	16.0
71.05004	16.5
71.08630	25.9
72.53605	2.5
72.97879	2.4
73.12097	2.3
79.05508	37.5
81.03427	22.7
81.07064	45.9
83.04988	20.0
83.08627	25.3
85.06518	3.7
91.05470	17.8
92.80008	2.5
93.07048	42.5
95.04971	18.7
95.08634	26.0
95.09139	3.5
97.06539	10.4
97.10154	4.7
99.08092	15.6
105.07067	18.9
107.08609	45.9
109.06554	6.0
109.10165	11.1
111.04436	18.3
111.08092	12.2
117.07077	4.6
119.08540	19.9
121.06525	5.6
121.10155	18.2
123.08120	12.5
125.05920	2.8
125.09621	18.9
127.07516	2.6
129.07013	3.6
131.08594	24.0
133.06522	3.9
133.10150	13.7
135.08084	12.3
135.11681	12.2
139.11195	14.1
141.79056	3.0
145.10138	16.8
147.08076	12.0
147.11697	5.2
149.09637	18.3
149.13258	3.1
159.11707	12.2
161.09602	3.1
161.13220	3.5
163.11180	49.1
165.12759	4.2
167.10663	12.3
171.11681	4.5
173.13342	4.0
175.11176	6.3
177.12766	45.1
179.12000	3.2
189.12749	3.9
196.43649	3.2
217.15898	4.3
225.15019	3.5
233.19235	4.0
235.16995	3.9
253.19431	3.4
271.20578	12.2
289.21658	27.3
307.19672	3.4
307.22693	99.8
307.55011	3.0
313.56107	3.1
325.23727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.08547	1.1
54.61310	1.1
55.05510	6.3
57.07082	1.9
60.57943	1.4
64.63132	1.2
67.05500	5.5
69.03419	1.3
69.07058	9.3
71.04972	2.3
71.08633	18.0
73.06554	5.9
74.20322	1.3
74.63504	1.4
79.05499	3.1
81.07052	13.8
83.08629	2.6
86.44638	1.4
90.88438	1.5
91.05479	1.8
93.07043	8.6
95.04971	2.7
95.08602	13.3
97.06557	1.6
97.10186	2.4
99.08089	14.1
105.07047	7.5
107.08590	10.0
109.06514	10.2
109.10181	6.3
119.08572	3.4
121.06486	2.2
121.10140	5.7
123.08057	2.3
123.11723	2.1
129.54619	1.3
130.74933	1.5
131.08598	6.4
133.10114	2.0
135.08066	3.5
135.11717	1.8
139.11183	5.9
147.11708	2.3
150.99599	1.5
159.11761	2.6
163.11166	1.9
165.12744	40.8
167.10690	1.9
173.13136	1.8
177.12827	2.9
181.15875	10.0
184.58855	1.3
189.04068	1.4
189.11522	1.3
191.14285	2.2
197.04819	1.5
198.07294	1.4
228.61252	1.6
251.16408	1.8
261.22144	14.9
268.06250	1.5
279.23196	2.7
289.21628	38.6
293.21140	3.0
307.22687	100.0
325.23926	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	325.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59322	13.9
54.33167	11.8
55.05513	28.2
63.21146	12.7
64.53807	15.6
70.52273	13.7
71.08637	18.7
81.03423	18.7
81.07078	21.0
83.08633	27.5
95.04980	22.3
95.08563	26.4
97.10152	30.1
98.68500	17.0
107.08590	17.1
107.54542	16.6
109.10175	28.3
121.10161	33.9
133.89252	14.1
163.11176	14.7
199.53294	16.2
275.20020	19.9
293.18112	16.6
293.21155	100.0
307.22421	15.7
325.23743	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2364
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
55.05513	4.6
57.84000	3.5
62.06104	3.8
64.99966	3.4
67.05505	26.9
79.05498	15.6
81.07057	25.1
93.07018	22.4
95.08605	9.1
98.28097	4.2
107.08596	8.7
109.10162	9.0
121.10137	19.7
130.24278	3.7
133.10107	8.4
134.96579	3.8
135.11685	8.7
145.10170	14.9
147.11725	7.0
149.13295	6.3
154.62845	4.0
155.47801	4.2
159.11687	8.8
163.11246	6.3
173.13257	3.8
175.38795	4.0
215.17964	21.1
233.18924	28.3
325.23517	100.0
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	Annosquamosin G
Peak:m/z	Relative Intensity
55.01871	29.1
55.05507	8.9
57.03418	5.6
57.07075	8.0
60.57943	5.3
67.05512	40.4
69.07069	24.2
69.11095	4.4
79.05503	10.5
81.07076	44.5
83.08632	5.8
85.06554	10.8
91.05495	4.9
93.07034	36.3
95.08608	49.2
97.06528	57.3
99.08101	6.3
107.08610	22.5
109.10149	28.7
110.69405	5.0
111.08097	20.8
113.09706	5.8
121.10168	21.8
123.11646	9.1
128.09595	5.4
131.08559	5.6
135.11682	9.2
139.11208	5.9
142.51222	5.2
149.13213	9.9
192.66061	5.2
233.19385	4.9
243.64461	6.7
251.20056	48.6
293.21054	6.5
307.19089	11.1
307.22601	8.8
325.23752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03558	1.7
55.05510	8.5
57.03430	2.1
57.07076	9.5
57.19479	1.5
62.24226	1.4
67.05177	3.1
67.05508	56.9
69.07061	11.8
70.35291	1.5
71.04995	7.2
73.58784	1.9
79.05499	37.6
81.06609	3.2
81.07066	70.5
83.04942	2.2
83.08607	8.0
85.06541	8.5
91.05469	15.2
93.07045	71.5
95.04956	2.8
95.08015	2.4
95.08603	61.8
97.06535	6.7
97.10133	2.4
99.08102	10.3
101.01249	2.3
105.07007	16.3
107.08595	52.3
109.06459	2.9
109.10162	37.0
111.08072	2.3
113.09647	4.0
117.07012	7.0
119.08582	18.4
121.10145	60.7
123.08142	1.9
123.11699	23.5
125.09644	1.9
131.08571	24.9
133.10126	25.4
135.08081	3.2
135.11687	63.1
137.09608	3.3
137.13228	3.1
139.11128	2.1
140.98114	1.9
145.10089	22.3
147.11700	20.4
149.09589	3.3
149.13239	31.5
151.11137	1.9
157.22502	1.8
158.08789	1.6
159.11700	26.4
161.13243	7.3
163.11189	3.6
163.14815	2.0
165.67426	2.2
173.13210	19.8
175.14806	1.8
177.12781	1.7
187.14828	3.4
189.16357	3.6
205.15950	2.2
205.19495	11.4
215.16386	1.7
215.17952	74.0
233.18985	100.0
251.19983	3.4
283.58246	1.8
307.22717	11.1
311.41342	2.0
325.20825	3.3
325.23776	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.01879	8.3
55.05508	11.6
67.05526	66.5
69.03410	6.9
69.07079	25.5
71.05005	6.7
73.83942	7.1
79.05495	39.1
81.07068	100.0
83.08614	12.5
91.05471	27.2
93.07044	74.9
95.04965	29.7
95.08615	78.8
97.06543	27.9
99.08115	7.9
105.07038	45.9
107.08606	57.2
107.25726	7.0
109.10159	38.5
111.08082	15.3
113.91453	7.5
117.07032	9.1
119.08582	34.7
121.10146	68.4
123.08119	7.4
123.11704	14.6
131.08575	37.1
133.10158	34.4
135.11713	53.2
145.10162	37.4
145.63528	7.2
147.11691	13.4
149.09659	8.0
149.13278	16.8
159.11697	28.6
173.13232	28.2
177.05504	15.3
183.11736	8.2
185.09575	6.5
207.11543	8.9
209.13225	14.5
215.17973	43.2
217.41843	7.3
220.53232	6.7
233.19084	66.3
245.40955	7.3
275.20065	8.1
289.18210	13.1
293.21100	15.3
307.22861	16.0
325.21185	31.4
325.24109	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	325.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93361	0.7
54.83381	0.6
55.70943	0.6
59.38249	0.6
60.37074	0.6
76.85703	0.7
80.13950	0.7
132.31213	0.8
239.31599	0.7
325.23495	100.0
328.26556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03570	0.4
57.03433	0.6
62.84322	0.4
65.36031	0.4
67.05502	0.9
69.03447	0.5
70.06574	0.6
72.04524	2.1
72.08159	4.9
75.04467	3.2
79.05498	6.8
79.95464	0.5
81.07049	2.3
82.20618	0.4
83.08599	0.4
85.02933	4.9
86.07190	1.1
87.07986	0.9
90.89635	0.4
91.05485	0.9
93.07038	0.9
95.08623	0.7
97.02905	3.5
97.06516	0.5
98.06025	0.6
98.09659	0.5
107.08599	15.2
109.10168	1.9
112.07606	0.5
113.10762	13.0
114.09174	54.5
115.08680	4.9
117.07014	1.9
122.09830	0.4
125.09636	2.4
127.03941	0.7
127.11021	0.6
131.11807	15.1
135.08067	9.1
137.05920	0.5
137.09715	0.5
138.11075	0.4
145.05009	0.8
153.09116	0.5
156.09947	0.7
156.11310	10.1
157.09802	1.8
164.63905	0.5
173.14023	6.1
175.07564	0.9
177.10173	0.7
209.09639	0.5
231.15092	0.6
283.20175	6.0
290.18723	1.2
325.22375	100.0
325.25806	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04115	0.5
59.65933	0.4
63.42020	0.4
70.06601	0.5
72.04501	2.0
72.08151	2.3
79.05472	0.6
82.06565	0.6
84.08154	4.7
92.18500	0.5
93.07027	0.9
107.08584	4.8
107.40417	0.5
109.06499	2.1
112.05097	0.6
113.10749	1.0
114.09165	13.1
117.07018	0.7
134.09651	2.3
135.08028	3.1
143.11807	8.3
152.10687	5.6
156.11285	2.9
170.11751	0.9
173.13974	11.5
176.11841	0.9
177.10216	0.8
183.11517	0.5
185.13957	0.5
194.12859	2.0
197.13950	0.7
227.47749	0.6
261.94760	0.5
289.20380	1.2
305.78448	0.5
307.21277	16.6
325.22330	100.0
338.22540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06597	0.9
72.04507	2.8
72.08152	4.1
81.07072	1.3
84.05624	2.4
84.08134	4.8
85.02913	6.6
91.05467	0.7
93.90975	0.6
97.02885	1.4
99.14134	0.6
105.07016	0.9
107.08601	3.0
109.06503	1.4
112.05052	0.7
113.10759	0.7
114.09179	15.9
127.03869	2.6
134.09637	2.8
135.08054	1.4
140.90834	0.6
143.11835	7.6
145.04944	1.1
152.10728	6.4
154.68492	0.6
156.11302	2.8
163.03879	4.0
170.11728	1.4
173.13979	6.1
193.48291	0.6
194.12929	2.9
197.14023	1.0
224.14108	0.6
230.97057	0.7
242.14983	3.5
289.20242	0.8
307.21362	14.5
310.28400	0.6
325.07214	1.0
325.22348	100.0
341.73337	0.7
347.42560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96059	0.4
55.01870	2.3
70.06565	0.4
72.04517	0.6
72.06716	0.5
72.08146	2.4
79.05503	7.0
81.07047	0.5
83.04986	1.8
84.08146	3.2
84.09588	0.5
85.02897	2.9
89.10792	0.6
91.05482	0.9
93.07017	2.9
105.07027	3.7
107.08595	5.1
113.10774	3.1
114.09158	9.3
115.08710	1.8
115.54115	0.5
117.07047	4.2
117.07735	0.4
126.12852	0.5
127.03896	0.6
131.11815	0.7
134.09639	2.9
135.08063	26.5
143.11801	5.6
145.04887	0.6
149.00583	0.8
152.10701	8.4
153.07950	0.8
153.09105	16.6
156.11314	5.7
163.03828	0.6
164.99994	1.0
165.55043	0.5
170.11737	2.7
173.13962	22.6
173.98050	0.4
191.01605	2.9
192.99483	3.2
194.12871	0.5
195.01155	0.5
197.14000	1.0
197.21460	0.5
219.01083	1.9
225.16975	0.7
237.02136	6.5
289.20154	0.9
307.21307	9.1
325.12106	5.8
325.22330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67763	0.3
59.64730	0.3
60.04501	0.5
60.73619	0.3
68.58540	0.4
70.06598	0.6
72.04504	3.7
72.08162	6.3
81.07022	0.4
84.05632	5.3
84.08150	5.5
91.05488	0.6
93.07043	2.8
93.09785	0.4
96.05602	0.8
97.04015	0.9
97.06616	0.4
110.07163	1.6
111.07931	0.4
114.09177	29.4
122.09667	0.4
134.09679	1.7
137.44847	0.4
138.10254	0.9
143.11826	4.7
149.01112	0.4
152.65282	0.5
165.10208	0.6
176.11829	7.0
177.05432	0.6
194.12880	6.9
197.13974	7.9
209.14005	1.6
210.18314	0.4
212.13907	1.4
223.15564	4.9
224.14049	0.5
230.16388	0.4
248.17711	0.5
263.21011	0.4
289.20291	6.2
307.21259	13.3
325.22342	100.0
336.48492	0.4
339.71933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.4
57.86805	0.3
60.04536	1.1
62.12092	0.2
64.24908	0.3
64.55206	0.2
69.03436	0.5
70.06601	0.7
72.04144	0.5
72.04522	8.5
72.08161	18.0
81.03442	0.6
85.02914	5.0
97.02916	1.8
98.06071	0.4
99.04455	0.3
109.02906	0.5
110.07193	0.3
114.09179	62.5
115.08701	0.5
122.07145	3.6
125.07988	0.3
127.03921	1.4
127.07587	1.3
145.04965	2.0
153.01823	0.6
157.10893	0.3
158.99619	0.3
163.03885	4.5
163.06033	0.3
170.11723	1.4
176.07158	0.3
176.11885	1.6
177.05504	0.5
194.12921	5.0
204.08118	0.3
212.13957	3.4
213.03931	1.0
235.15459	2.3
248.09210	0.5
254.82744	0.3
265.11722	0.4
266.10239	2.7
283.20102	0.5
307.21317	1.3
325.14844	8.0
325.22348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97963	0.3
61.02937	0.4
67.62676	0.4
69.03432	0.7
70.06577	1.8
72.04517	3.1
72.08160	5.7
84.05613	2.2
84.08137	3.8
85.02912	3.0
93.07045	3.8
94.09644	0.5
107.04944	0.4
107.08600	1.5
109.06487	0.5
112.05073	2.2
113.10788	0.6
114.09172	24.8
116.43032	0.4
125.26609	0.4
127.03905	0.7
131.11736	0.4
134.09642	1.7
135.08041	0.9
137.00174	0.4
137.05965	0.9
143.11815	6.7
145.04991	0.5
152.10704	1.7
156.11345	1.0
163.03893	1.0
173.13971	4.8
176.11868	4.0
188.14291	0.5
194.12906	8.4
197.14011	6.1
212.14122	0.4
223.15495	0.5
225.13519	0.4
226.14258	0.6
239.15092	0.9
248.17487	0.5
261.17062	0.8
289.20245	6.2
307.21280	42.7
325.22339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42786	0.4
55.05516	0.8
59.28334	0.4
60.05642	1.8
63.19081	0.4
63.78827	0.4
65.39290	0.4
65.92107	0.4
70.06583	0.8
70.19811	0.4
72.08160	16.6
75.69772	0.4
84.08138	0.6
85.02899	2.1
89.10763	0.9
97.07646	4.5
98.06052	7.7
113.10772	0.5
114.09129	1.6
114.10298	18.0
115.08681	8.0
115.15565	0.5
126.10274	12.4
131.12915	2.3
135.04468	1.1
137.05997	0.9
140.08205	0.9
145.02888	5.0
149.05981	2.8
151.07573	0.8
154.09741	0.5
156.11317	0.7
157.10851	34.2
166.08621	5.3
167.07010	7.4
171.01161	0.6
177.05470	51.8
194.01736	0.5
220.13295	2.2
235.14355	0.9
236.12776	2.9
247.14455	4.5
248.12822	3.8
262.15518	13.3
265.15353	0.6
266.09659	0.5
266.13849	7.1
290.14996	10.7
307.17642	6.0
316.75946	0.6
325.18695	100.0
336.93188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88113	0.5
62.70398	0.6
65.12502	0.6
69.03443	0.8
72.08160	43.1
84.05634	24.6
85.02906	5.5
97.02880	1.2
117.03400	1.4
135.04422	3.7
135.71220	0.6
138.10245	1.1
145.02827	4.7
145.04918	0.7
148.07545	0.7
150.09158	2.5
157.08394	0.8
163.03896	34.6
166.08638	0.9
167.07079	1.4
194.08116	5.8
195.06558	1.3
208.10820	3.7
226.11842	1.0
236.10315	1.3
254.11340	67.0
290.69580	0.6
304.46323	0.7
308.16071	3.7
325.18698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30912	0.4
60.05656	0.4
66.20392	0.6
69.02449	0.4
69.03420	0.6
72.08161	35.0
72.51819	0.4
84.05633	27.6
85.02905	6.8
97.02908	0.9
104.10760	0.7
110.66567	0.5
127.03890	0.9
138.10286	1.8
145.01721	0.5
145.04961	2.1
148.07561	0.7
155.12929	0.8
157.08475	0.6
158.79958	0.5
167.07051	0.5
194.08113	4.0
195.06448	1.8
208.10851	2.3
236.10350	2.0
248.12837	0.6
254.11348	58.2
298.95801	0.5
308.16080	3.2
325.18707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44036	0.3
55.05505	0.4
58.63165	0.3
59.84565	0.3
60.05626	0.5
61.46577	0.4
69.65354	0.4
72.08162	18.8
79.34053	0.4
97.07664	4.2
102.25755	0.4
104.48505	0.4
113.10780	1.6
114.09155	8.0
114.10284	39.5
115.08693	8.0
131.12886	0.7
149.60977	0.5
153.05470	59.9
156.11305	2.4
163.03850	0.6
166.98628	0.5
167.07040	0.7
195.06560	4.9
265.15433	7.7
266.13873	26.5
283.16531	0.8
308.01648	0.4
308.16068	8.7
310.16272	0.5
325.18701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
60.05661	4.7
60.59742	0.6
70.06593	2.4
72.08161	9.1
77.74197	0.6
84.58832	0.6
85.02908	0.6
89.10778	0.8
97.07630	5.0
98.05466	0.7
98.06065	16.0
102.38393	0.6
109.49565	0.6
114.09137	0.9
114.10293	30.3
115.08699	16.7
131.12917	2.9
134.95645	0.6
135.04370	1.0
137.05969	2.4
157.10847	86.8
162.74237	0.5
163.03903	79.0
192.10251	0.7
222.08807	1.2
223.89578	0.6
233.12878	9.6
234.11200	9.3
276.13403	9.2
293.16098	20.7
325.18716	100.0
326.93155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83112	0.2
60.05660	0.5
72.04504	0.4
72.08160	21.3
74.65398	0.3
82.07444	0.3
85.02898	0.5
89.10784	0.4
97.07646	4.6
98.06048	1.1
100.08723	0.5
104.32602	0.3
108.55135	0.3
113.10755	2.3
114.09165	5.7
114.10291	39.6
115.08692	7.2
131.12909	0.6
153.05467	61.3
155.94629	0.3
156.11351	2.9
163.03897	2.1
177.05449	0.6
194.08142	0.4
195.06572	4.5
258.83456	0.3
265.15466	7.3
266.13864	25.5
283.16602	1.2
291.13358	0.4
308.16000	9.1
310.16022	0.3
325.18698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.8
55.15853	0.4
58.06600	0.6
58.53152	0.4
59.06932	0.5
60.05655	1.8
70.06586	0.8
72.00166	0.4
72.08160	17.9
73.06508	0.5
73.08497	0.7
75.59679	0.5
79.05448	0.4
84.08147	2.2
84.78284	0.4
89.10815	0.5
97.07661	4.9
98.06059	6.5
112.11251	2.7
113.10841	0.5
113.11593	0.9
114.09153	0.9
114.10297	19.6
115.08692	6.7
126.10287	14.1
131.12914	2.5
135.04399	1.7
137.06013	3.8
138.06375	1.6
140.08203	0.8
145.02841	3.8
149.06010	3.9
151.07558	2.2
154.09732	0.7
157.10849	24.9
157.12140	0.9
163.07567	0.6
166.08636	5.5
167.07016	7.7
168.79800	0.5
173.14032	0.6
175.40829	0.4
177.05478	36.1
182.04387	0.5
194.07967	0.6
206.08154	0.7
220.13313	2.6
235.14507	2.2
236.12784	4.3
247.14423	4.4
248.12885	3.7
251.14789	3.5
262.15469	12.9
265.15558	0.5
265.27155	0.4
266.13876	7.6
278.15115	0.5
290.14981	8.9
307.17624	5.1
308.16251	0.7
308.20532	3.6
325.18756	100.0
325.23029	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43430	0.4
59.88082	0.3
66.86918	0.4
70.06588	6.0
72.08161	10.2
85.07608	0.5
89.03872	0.8
92.18543	0.4
97.07626	0.6
98.06029	0.7
100.33146	0.4
105.28264	0.4
113.07101	1.0
113.10753	9.1
114.08498	0.5
114.09151	8.4
114.10293	7.3
115.08659	0.9
117.03349	2.0
131.11798	6.4
137.05933	1.9
145.02850	36.6
147.04428	1.7
149.05905	0.9
153.05467	9.4
163.03894	3.6
177.05460	100.0
178.05940	0.4
178.74445	0.4
246.49921	0.4
248.12862	1.6
265.15506	0.6
266.13855	4.4
289.15588	2.7
292.15262	0.8
307.16504	47.9
308.15991	1.7
325.18747	22.1
325.22452	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	325.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48534	0.3
70.06604	2.6
72.04524	0.6
72.08161	16.6
84.05621	0.6
84.08146	2.3
85.02911	0.8
86.09747	0.4
94.06621	0.4
96.08119	2.5
97.70547	0.3
98.06071	0.5
111.08081	0.4
113.10775	13.2
114.09172	19.4
117.03379	0.7
122.07159	0.7
124.08708	1.3
128.10728	11.5
131.11816	6.1
135.04407	2.8
136.08675	0.4
143.11806	0.6
145.02844	5.4
145.05130	0.5
145.13365	3.7
152.10703	1.6
157.09709	0.5
163.03903	100.0
170.11757	1.6
176.11833	2.3
194.12831	2.9
197.13992	4.0
204.11406	1.3
209.13887	0.5
217.28871	0.3
222.12393	0.6
223.15550	0.6
234.11290	5.7
235.15588	5.1
236.16258	0.7
237.17061	0.6
249.17079	0.6
267.36465	0.3
275.13757	1.4
279.21301	0.4
289.20242	4.5
293.14963	48.6
293.20050	1.2
304.71280	0.4
307.16534	10.1
307.21246	19.2
307.24799	0.7
325.22321	59.9
348.51959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
60.05662	0.3
69.03451	0.5
70.06595	4.3
72.08156	10.6
81.03426	0.4
84.04503	0.5
84.05602	0.3
84.08134	0.6
85.02902	1.8
89.03893	0.6
97.07673	0.5
98.06046	0.5
111.05584	0.6
113.07050	0.4
113.10768	6.6
114.09153	6.9
114.10287	4.6
115.08691	0.8
117.03375	2.6
119.04946	0.5
121.02930	0.4
123.04455	0.5
131.11847	4.0
131.12729	0.6
135.04396	0.8
137.05991	1.5
145.02849	24.8
147.04431	2.5
149.05988	2.1
153.01968	0.3
153.05429	5.8
154.00826	0.3
157.10822	0.6
163.03888	11.0
177.05464	100.0
179.03407	0.5
207.02901	0.7
237.02049	0.4
248.12775	2.1
265.15613	0.5
266.13937	1.7
268.07443	0.5
271.14426	0.3
279.06418	0.5
289.15344	3.0
293.15903	0.4
296.06805	0.4
297.07629	1.3
307.16513	46.9
325.07101	9.0
325.18555	13.9
325.22360	7.3
334.52219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43430	0.4
59.88082	0.3
66.86918	0.4
70.06588	6.0
72.08161	10.2
85.07608	0.5
89.03872	0.8
92.18543	0.4
97.07626	0.6
98.06029	0.7
100.33146	0.4
105.28264	0.4
113.07101	1.0
113.10753	9.1
114.08498	0.5
114.09151	8.4
114.10293	7.3
115.08659	0.9
117.03349	2.0
131.11798	6.4
137.05933	1.9
145.02850	36.6
147.04428	1.7
149.05905	0.9
153.05467	9.4
163.03894	3.6
177.05460	100.0
178.05940	0.4
178.74445	0.4
246.49921	0.4
248.12862	1.6
265.15506	0.6
266.13855	4.4
289.15588	2.7
292.15262	0.8
307.16504	47.9
308.15991	1.7
325.18747	22.1
325.22452	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	325.1436
Annotation	Glabridin
Peak:m/z	Relative Intensity
51.61079	0.3
53.22206	0.4
55.01853	2.0
55.05500	0.8
56.07922	0.4
57.03424	1.8
61.02902	0.6
67.05518	3.5
69.03436	3.3
69.06759	0.4
69.07072	7.9
70.06566	0.9
71.04950	0.6
72.04513	0.7
72.08136	1.1
79.05495	4.1
81.03402	1.1
81.07067	21.2
83.04958	1.0
83.44950	0.5
84.04499	0.7
84.05631	0.5
84.08125	0.9
85.02431	0.9
85.02908	19.7
85.06550	0.8
87.04457	1.7
91.03928	2.2
91.05477	4.7
93.07042	3.5
94.79331	0.5
95.04963	1.7
95.08611	3.8
97.02871	4.3
97.06500	2.1
99.04464	1.0
99.08089	2.3
103.05457	0.9
105.06995	2.4
107.04949	2.0
107.08601	3.5
109.02854	3.0
109.06515	4.2
109.10162	1.0
109.52306	0.5
111.04415	0.5
111.08022	0.6
113.05965	0.8
114.09177	7.1
115.03939	0.8
115.05418	2.0
115.07545	0.5
115.08704	0.5
117.07032	3.7
119.08585	8.3
121.10121	0.9
123.08009	1.0
125.09578	0.6
127.03937	5.6
127.07551	6.3
128.06198	0.6
129.06982	3.2
131.04932	11.0
131.08585	0.7
132.05685	2.8
133.06468	0.6
133.10092	2.1
135.08075	3.2
135.11720	1.1
137.05988	53.3
137.09601	4.1
141.06981	4.6
143.11754	1.1
145.04967	7.9
145.06517	1.9
145.08595	2.2
145.10100	2.8
147.08057	16.1
147.11655	0.8
149.09587	1.0
151.07494	0.8
151.11171	0.8
153.09129	0.9
157.06485	1.1
159.08052	0.5
160.05205	2.0
161.05981	2.9
163.03928	0.8
163.06027	2.3
163.07515	14.3
169.06480	18.5
169.07822	0.9
170.07346	0.5
173.09607	0.9
175.07544	100.0
179.10609	0.8
186.06778	3.3
187.07547	1.1
188.08339	0.9
189.09123	7.2
191.08212	0.9
191.10808	0.6
194.12813	0.7
197.13972	0.6
201.09122	8.5
205.10138	0.6
210.02274	1.1
225.13416	1.0
233.09666	3.5
243.17499	0.9
250.10069	0.6
261.09113	2.0
261.18484	1.7
262.10071	0.5
265.12280	2.4
278.09543	0.6
279.19507	2.4
293.11774	2.7
293.67648	0.5
294.12555	0.6
296.10452	0.5
307.18732	1.8
307.21979	3.9
325.07465	2.3
325.14377	58.2
325.19562	5.0
325.23032	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	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
54.97984	0.6
55.01865	2.8
57.03438	2.4
59.12944	0.5
61.02932	1.0
63.55302	0.5
65.40841	0.6
67.05468	0.6
69.03429	15.3
70.06245	0.8
70.06595	15.7
71.01353	0.8
71.04994	6.4
72.08154	17.1
73.02893	0.7
81.02940	0.8
81.03421	22.0
84.08121	2.7
85.02906	12.7
86.09685	0.8
89.03898	0.7
91.03953	0.6
91.05457	0.9
92.18443	1.6
94.18279	0.6
97.02885	2.4
98.06046	0.8
99.04461	8.4
106.84447	0.6
109.02854	0.7
111.98225	0.6
112.08674	0.7
113.07128	1.0
113.10749	8.7
114.09164	8.9
114.10274	4.5
117.03378	3.2
117.05508	0.7
119.04958	0.7
120.08016	0.7
121.01640	0.7
127.03889	2.6
128.06984	0.9
131.11795	4.4
135.04437	0.8
137.05959	8.3
144.86295	0.6
145.01714	1.3
145.02844	32.6
145.04807	4.4
147.04405	4.6
147.09155	3.1
153.05450	5.9
163.03888	24.6
164.73897	0.8
173.07085	4.0
175.08702	8.3
177.05455	82.8
179.07047	1.1
191.08153	100.0
195.01111	8.8
205.09549	1.0
233.09169	1.2
236.12875	0.8
248.12801	3.3
266.13931	2.5
289.11862	1.0
289.15472	2.7
293.15063	3.6
297.05579	2.9
307.12875	28.0
307.16565	36.6
308.15799	1.1
325.13913	51.5
325.18414	26.8
325.22238	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	325.1398
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
52.97505	0.4
53.03952	0.8
55.01873	1.8
57.03441	2.7
58.91068	0.4
61.02940	0.7
61.77093	0.4
64.17814	0.4
66.84829	0.4
69.03436	15.7
71.04991	6.3
72.08139	0.7
73.02924	1.2
81.03434	13.5
85.02937	0.9
87.04465	0.5
92.80199	0.5
99.04464	7.0
117.05492	0.9
127.03848	0.5
147.09146	2.4
153.05505	0.6
173.07077	2.4
175.08725	7.2
191.08162	100.0
252.76340	0.5
288.46619	0.5
289.11826	0.9
307.12888	42.9
325.03540	0.8
325.07751	5.7
325.13937	49.2
325.17728	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	325.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
57.03447	3.5
57.05257	0.4
61.02681	0.5
61.02940	7.5
69.03436	11.7
71.01347	0.4
71.04980	1.0
73.02922	2.7
79.73641	0.4
81.03428	4.0
85.02908	100.0
87.04469	2.5
91.03949	4.3
96.97013	0.6
97.02889	17.3
99.04455	4.3
103.03932	0.6
109.02889	10.0
114.38140	0.5
114.54930	0.5
115.03963	0.8
127.02940	0.6
127.03912	25.7
145.04967	34.2
163.06012	8.3
183.13084	0.5
211.23318	0.4
232.08986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00053	0.2
52.03706	0.2
62.48429	0.2
69.03421	0.4
70.06593	1.5
72.08160	9.1
75.93558	0.2
81.57590	0.3
84.99728	0.2
85.02908	2.8
85.03337	0.3
89.10777	0.5
92.18412	0.3
97.02930	0.4
109.02835	0.3
114.09170	13.5
125.67702	0.2
127.03948	0.5
131.11787	0.5
137.05989	1.1
145.02837	0.2
145.04948	0.5
149.00572	0.3
163.03902	1.3
163.41579	0.2
165.02281	0.2
170.99458	0.3
177.05513	1.2
195.01120	100.0
198.42564	0.3
203.03387	1.4
219.06631	0.3
237.02144	1.0
290.08304	0.4
308.09595	2.4
325.12152	51.9
325.18527	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	325.1076
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
57.03445	0.3
59.04989	1.4
72.08153	0.4
78.90147	0.3
81.07059	2.0
85.02918	3.8
89.06042	0.3
92.18526	0.6
93.07061	2.2
95.04942	1.1
97.02872	0.6
102.59838	0.3
103.07592	0.4
107.04962	0.4
107.08578	1.0
109.02886	0.3
113.10806	2.5
114.09167	5.1
115.08696	1.2
127.03866	0.5
131.05016	0.3
131.11818	0.4
135.11681	0.5
137.05946	2.1
145.04951	0.6
156.11307	3.0
161.06009	0.4
167.08556	0.5
173.13968	3.0
175.07547	2.1
188.04723	0.7
191.07025	2.4
191.08542	0.4
194.07259	0.5
195.08046	3.7
205.06485	1.5
207.06496	0.4
209.09576	1.5
212.08276	0.7
217.04987	0.6
222.06786	1.4
223.07515	4.4
225.09171	0.6
227.10692	1.4
233.06030	0.5
235.07600	0.4
236.08388	1.2
237.09091	5.3
239.06978	0.4
240.07831	1.6
241.08562	2.1
247.07471	0.5
250.06157	2.1
251.06989	3.8
253.08667	1.4
254.09456	0.3
255.10135	8.8
263.06998	0.5
264.07733	2.2
265.08588	15.4
266.09265	0.5
267.06503	0.6
268.07333	2.0
269.11707	0.4
278.05798	1.0
279.10202	1.5
281.08096	1.3
282.08887	2.3
283.09641	24.1
292.07257	3.6
293.08078	5.9
294.08911	0.5
295.05972	1.8
295.09647	1.1
297.11188	15.8
307.09625	7.6
307.25061	1.3
310.08322	11.2
325.10712	100.0
325.25943	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	325.1077
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
55.01893	1.8
59.05012	3.1
66.41483	0.9
67.05508	2.1
69.03424	1.2
69.07052	1.6
72.08157	2.1
79.05490	5.3
81.07052	6.4
85.02893	1.0
86.09750	1.1
89.06014	4.7
91.05503	4.1
93.07055	17.4
95.04980	1.8
95.08599	4.4
97.06528	1.5
105.07059	2.0
107.08599	14.8
109.10145	2.0
113.10783	23.0
114.09179	42.9
114.10295	3.6
115.08722	9.3
119.04951	1.5
127.03888	1.0
131.04956	2.2
131.11800	2.3
133.10153	1.4
134.03702	1.1
135.11703	1.8
137.05977	14.4
145.06500	1.1
147.04424	1.3
147.13416	1.5
149.05988	4.1
150.06696	1.6
156.11324	27.0
161.09608	1.2
163.17052	1.1
173.05994	6.5
173.13972	31.4
173.15382	1.8
175.07590	1.2
177.06998	1.4
186.03156	13.0
189.05496	1.1
194.07382	2.0
201.05450	25.4
203.06985	1.3
205.06512	19.3
211.07712	1.4
219.08031	4.7
221.06079	1.8
222.04900	0.9
222.06650	7.7
227.06955	1.4
232.05164	1.2
233.05971	30.7
234.06735	5.0
235.07582	1.0
236.08348	1.1
237.09087	14.8
239.07042	1.0
247.07527	5.9
249.05566	2.0
250.06213	20.9
251.07005	1.7
261.05490	6.2
264.07843	10.1
265.08591	38.2
266.09415	1.9
267.06519	4.3
275.06900	1.5
277.05151	1.4
278.05734	16.2
279.10159	5.6
282.08948	6.4
292.07306	34.1
293.08093	39.6
294.08804	1.8
295.06018	2.2
297.11270	7.1
307.09622	52.1
307.13055	1.9
309.07462	1.2
310.08380	9.9
325.10754	100.0
325.25977	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1074
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
53.74715	0.8
55.01870	1.0
55.75512	0.9
56.74273	1.0
63.56692	0.9
77.93236	1.1
81.12621	0.9
85.02879	1.3
93.98221	1.0
94.53600	0.9
107.04900	1.8
111.04414	1.6
115.05427	1.1
121.02869	21.0
121.03687	1.4
121.04117	1.1
121.06448	1.0
137.05927	1.2
146.07263	1.1
159.08064	1.1
165.06960	2.0
167.08412	1.1
171.04387	5.6
175.07530	2.2
177.06924	1.1
179.08582	1.9
186.06691	2.2
190.07770	1.1
191.08493	2.1
194.07280	1.3
195.08109	4.3
201.05421	1.4
205.06488	4.8
206.07225	1.8
207.07968	1.6
208.08931	1.8
209.09610	1.3
210.06775	2.1
211.07513	2.0
219.08051	6.5
220.08870	1.4
221.06047	1.6
222.06699	1.7
223.07520	5.4
225.08989	3.9
226.06212	1.7
230.43442	1.1
233.05991	3.8
234.06795	2.4
235.07603	1.5
236.08321	6.6
237.09132	6.9
238.06146	1.5
239.06934	8.6
239.10689	2.4
240.07750	1.9
247.07451	4.0
248.08534	1.6
249.09033	1.8
250.06279	4.8
251.06950	1.9
251.10699	3.9
253.08588	17.8
254.09317	5.5
261.08737	1.3
264.07758	4.1
265.08591	17.5
266.09409	1.6
267.06339	1.1
267.10074	1.2
269.11755	5.3
278.05853	1.3
279.10220	5.0
281.07901	1.2
282.08862	5.2
292.07321	2.1
293.08203	11.2
294.08914	1.8
297.11172	10.3
307.09631	4.7
310.08215	1.4
325.10693	100.0
325.13940	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	325.0922
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03969	0.3
54.81449	0.1
55.01869	0.4
57.03434	0.7
59.90240	0.1
60.08153	0.6
60.56605	0.2
61.02923	0.7
63.02369	0.2
67.04227	0.2
69.03432	4.9
70.06590	0.3
71.04991	0.3
72.08152	0.4
73.02921	0.3
79.05501	0.2
81.03423	3.3
84.08135	0.3
85.02909	9.2
87.04459	0.2
89.03913	2.0
91.03946	0.2
97.02892	3.9
99.04468	0.4
107.04960	1.3
109.02885	1.6
114.05488	0.2
117.03389	3.0
126.02503	0.3
127.03192	0.2
127.03944	3.4
135.04420	10.0
135.05447	0.3
145.01720	0.4
145.02861	10.6
145.04001	0.3
145.04921	2.7
153.05365	0.2
163.03900	100.0
173.06116	0.2
175.07530	0.2
181.04942	1.1
181.08603	0.2
185.09792	0.8
185.66112	0.2
204.80138	0.2
235.09657	0.2
253.93515	0.2
281.11957	0.4
307.08139	3.9
307.11551	0.3
325.05353	0.3
325.09180	4.8
325.13199	0.2
325.18555	1.0
327.13327	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
55.01868	1.1
57.03429	1.1
61.02933	2.7
61.63153	0.2
61.92078	0.2
69.03440	4.1
70.06590	0.4
71.04996	0.4
72.08157	4.1
73.02908	1.3
79.05475	0.3
81.03430	2.9
84.04506	0.5
84.05621	1.3
84.08138	1.3
85.02908	18.6
87.04457	1.2
89.03923	3.5
89.10754	0.2
91.03953	0.6
97.02902	5.2
98.06049	1.1
99.04437	1.3
105.01834	0.3
107.04945	1.2
109.02901	2.7
114.10287	1.0
116.07101	1.5
117.03374	5.2
122.07118	0.5
123.64495	0.3
127.03917	4.8
134.76231	0.3
135.04422	13.8
137.02374	0.4
142.08688	0.4
145.02858	12.3
145.04924	4.1
145.07608	2.9
147.01353	1.7
153.05464	1.3
159.11343	0.4
162.05504	0.4
163.03899	100.0
163.08644	1.5
181.05040	0.3
187.07411	0.3
193.01837	1.9
193.09743	0.5
195.02960	0.3
254.11356	2.9
259.05997	1.3
266.10236	0.5
266.13950	0.5
290.13989	0.5
307.13205	0.4
307.16464	0.9
325.09885	2.1
325.14261	5.6
325.18643	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	324.2898
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
50.16504	0.6
55.05523	2.9
57.07074	1.3
62.06101	100.0
63.29677	0.8
67.05508	10.0
69.07084	5.3
71.04980	0.8
71.08632	1.1
76.05375	0.6
79.05512	1.2
81.07066	13.3
83.08624	3.2
93.07053	4.7
94.16494	0.8
95.08610	11.3
97.10134	1.1
104.99245	0.9
105.07070	1.0
107.08591	1.2
109.10135	7.0
119.08580	1.2
120.28730	0.8
121.10148	3.0
123.11668	1.7
133.10110	2.9
135.11761	0.9
147.11658	0.9
149.13223	1.0
208.17761	1.1
245.22835	0.9
263.23709	1.4
306.24887	1.1
306.27997	4.0
307.26389	4.7
324.28998	48.3
324.32849	1.6
334.09933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31783	0.6
50.49630	0.5
55.01876	0.8
63.91222	0.6
67.05510	1.2
69.03416	0.8
69.07066	4.4
71.40321	0.6
79.05497	1.1
81.03432	3.0
81.07058	8.0
83.04996	7.7
86.09711	71.1
91.05483	3.7
92.69328	0.6
93.07073	6.0
95.04990	2.7
95.08621	6.8
95.68655	0.6
105.07042	6.2
107.08578	3.5
108.75177	0.7
109.02864	4.9
109.06535	4.4
109.10169	6.8
119.08578	14.5
121.06490	0.9
121.10146	17.6
123.04449	0.8
123.08066	13.1
132.10208	23.8
133.06516	1.3
133.10107	0.9
135.08084	1.2
137.09637	11.5
147.08054	21.3
151.07558	7.1
164.10657	1.0
165.09116	100.0
175.07544	7.0
192.10228	5.5
193.08614	89.0
211.09702	1.0
218.97932	0.8
260.16547	2.8
278.17511	26.9
306.16998	25.2
306.20392	1.2
324.18103	40.8
324.21515	3.2
324.24756	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	324.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57064	0.5
59.02615	0.5
59.04876	0.9
59.53114	0.5
60.05641	0.9
69.65892	0.6
70.06587	0.8
72.08159	9.6
73.06427	11.8
82.95558	0.6
86.07191	6.3
87.07975	8.3
95.51988	0.7
97.07651	2.5
97.59177	0.7
100.08751	20.0
101.09509	0.7
112.08706	0.9
113.08376	3.1
114.10293	21.0
115.08740	5.3
130.12125	0.6
140.08165	0.7
151.03963	3.2
157.10811	1.0
172.13147	1.5
178.05000	0.9
178.80766	0.6
179.03398	16.4
225.07619	0.7
232.09705	0.8
234.11295	1.1
247.06110	0.7
249.12360	7.4
250.10765	18.4
262.13174	0.8
267.13495	1.0
290.12613	2.7
292.12918	9.1
309.15573	53.4
324.17914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05530	1.2
56.05043	2.9
58.06602	2.7
60.04535	6.2
67.05505	1.3
68.19129	0.6
69.03416	0.7
69.04552	9.5
70.06590	3.6
71.04984	3.9
72.08149	4.3
74.00661	1.4
74.05676	1.2
74.06085	36.1
79.05505	0.8
81.07068	4.6
82.11437	0.7
83.06107	0.6
84.04491	3.1
85.02908	2.8
85.06555	8.6
86.06071	26.7
86.06599	0.9
86.09704	1.6
87.05582	4.9
88.03999	13.0
91.05482	1.1
92.17795	1.0
93.07024	3.8
95.08592	0.8
96.04486	9.3
97.01105	0.6
97.02869	0.8
97.06563	0.8
103.05480	0.9
105.07014	1.0
107.08586	4.4
109.06525	2.7
109.10159	3.4
112.04005	0.7
112.43430	0.7
113.04234	0.7
113.07128	25.2
113.07890	1.4
120.01199	5.4
120.08105	100.0
120.99561	11.4
121.10154	5.5
122.02740	0.9
123.08052	1.0
125.09609	1.3
127.07561	8.0
131.04941	0.7
131.08159	36.6
132.99507	0.8
133.10153	1.6
134.74521	0.8
137.09644	0.8
138.02200	12.9
139.05827	1.1
139.11290	0.9
141.06563	4.3
144.08130	4.9
146.09654	1.0
149.06017	2.8
149.09630	3.0
151.11150	1.1
153.07367	0.8
157.06831	3.9
159.07643	36.3
159.08958	1.5
161.02193	0.8
162.02528	0.8
162.05508	1.6
162.09117	6.0
165.07413	1.3
166.08630	62.6
167.10689	2.4
177.10378	0.7
183.08481	1.5
185.04268	1.2
192.10207	1.2
193.04933	0.9
199.07870	0.9
201.09444	14.1
203.11708	0.9
207.11282	27.0
235.10789	9.3
253.11736	1.3
267.13419	1.5
288.12762	6.5
289.11038	1.5
292.13181	0.8
306.14102	16.7
324.07867	7.8
324.14865	20.8
341.97614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62727	0.5
54.59967	0.5
55.05516	3.3
57.03449	0.8
58.99588	0.7
66.09373	0.6
67.05516	7.5
69.03430	2.5
69.07082	1.1
70.06589	4.3
71.04998	36.8
72.08150	4.7
73.08459	0.9
76.02248	1.3
77.03897	0.6
79.05500	14.1
81.07064	15.6
83.04991	3.1
83.08609	0.8
84.04533	1.3
84.05654	1.0
84.08160	1.3
85.02903	1.1
85.06546	18.6
86.09694	1.4
88.04011	1.4
88.11259	2.8
93.07048	11.2
95.08615	7.2
97.06532	3.0
97.10171	6.7
99.08097	0.6
105.00103	3.1
105.07040	4.8
107.04973	1.3
107.08604	49.0
109.06556	0.6
111.04421	4.4
113.06039	0.9
113.09675	4.8
115.03915	0.6
116.07125	2.5
119.08603	2.8
121.10153	28.2
122.02732	5.9
123.04479	0.9
123.08092	3.5
123.11718	1.4
125.05995	7.5
125.09640	41.9
127.07564	1.3
129.05502	4.1
129.10294	0.7
131.08553	6.8
137.09650	2.7
139.11191	10.8
143.07077	2.7
143.10681	44.0
149.09631	20.3
162.05353	0.7
167.10678	24.9
177.05629	0.6
178.05855	1.2
179.05933	1.1
184.06128	1.5
185.06453	3.1
185.11743	39.8
192.07677	9.5
198.15976	0.7
199.07947	0.7
203.12810	11.3
208.59206	0.6
210.82639	0.6
227.89127	0.7
243.10493	0.8
250.10637	0.7
254.11316	0.8
261.11670	0.9
274.13199	0.7
278.14032	0.7
279.10709	1.0
289.11060	0.8
306.13904	2.4
307.12112	30.8
324.14850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62727	0.5
54.59967	0.5
55.05516	3.3
57.03449	0.8
58.99588	0.7
66.09373	0.6
67.05516	7.5
69.03430	2.5
69.07082	1.1
70.06589	4.3
71.04998	36.8
72.08150	4.7
73.08459	0.9
76.02248	1.3
77.03897	0.6
79.05500	14.1
81.07064	15.6
83.04991	3.1
83.08609	0.8
84.04533	1.3
84.05654	1.0
84.08160	1.3
85.02903	1.1
85.06546	18.6
86.09694	1.4
88.04011	1.4
88.11259	2.8
93.07048	11.2
95.08615	7.2
97.06532	3.0
97.10171	6.7
99.08097	0.6
105.00103	3.1
105.07040	4.8
107.04973	1.3
107.08604	49.0
109.06556	0.6
111.04421	4.4
113.06039	0.9
113.09675	4.8
115.03915	0.6
116.07125	2.5
119.08603	2.8
121.10153	28.2
122.02732	5.9
123.04479	0.9
123.08092	3.5
123.11718	1.4
125.05995	7.5
125.09640	41.9
127.07564	1.3
129.05502	4.1
129.10294	0.7
131.08553	6.8
137.09650	2.7
139.11191	10.8
143.07077	2.7
143.10681	44.0
149.09631	20.3
162.05353	0.7
167.10678	24.9
177.05629	0.6
178.05855	1.2
179.05933	1.1
184.06128	1.5
185.06453	3.1
185.11743	39.8
192.07677	9.5
198.15976	0.7
199.07947	0.7
203.12810	11.3
208.59206	0.6
210.82639	0.6
227.89127	0.7
243.10493	0.8
250.10637	0.7
254.11316	0.8
261.11670	0.9
274.13199	0.7
278.14032	0.7
279.10709	1.0
289.11060	0.8
306.13904	2.4
307.12112	30.8
324.14850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23059	0.4
59.36687	0.3
59.99111	0.6
61.41676	0.4
61.71447	0.3
72.04526	45.2
81.07061	0.4
86.26322	0.4
88.02225	4.0
90.05608	0.4
100.07629	100.0
103.05479	1.8
116.05313	4.4
118.04186	0.9
131.04953	4.5
156.29919	0.4
173.05911	0.4
176.04756	2.2
191.07057	21.7
223.04401	0.5
235.27135	0.5
324.12671	16.3
324.16284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol
Peak:m/z	Relative Intensity
55.05531	5.2
55.25600	2.2
55.69167	2.9
57.03418	4.7
57.07083	29.7
58.34782	2.5
67.05500	19.0
69.07068	5.9
71.04986	5.8
72.32996	2.6
79.05492	18.1
81.07066	48.0
85.06573	3.4
85.09700	5.3
85.10183	100.0
91.05468	26.1
93.07047	64.9
95.08602	36.2
97.06527	5.7
105.07031	12.6
105.57222	2.8
107.08617	14.4
109.10144	4.4
113.09646	71.0
117.07053	22.7
119.08591	34.8
121.10150	14.8
123.08139	3.3
129.06999	6.1
131.08556	25.2
133.10146	29.1
135.11676	6.1
141.12727	15.1
143.08548	4.9
145.10155	4.9
147.11678	13.3
153.08969	3.1
155.14355	6.4
157.10132	16.7
159.11703	69.9
161.13222	6.2
165.12790	3.3
171.11665	15.4
173.13280	20.4
175.14795	24.2
177.11223	3.0
177.12762	13.0
179.14200	3.0
185.13289	4.1
199.14891	3.6
203.17989	39.0
221.19049	7.4
233.58121	3.4
269.22720	30.1
287.23666	42.9
305.24704	57.9
323.25873	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	323.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96669	2.0
65.71622	2.1
74.07797	2.1
81.07050	4.2
84.04509	3.4
98.97571	10.0
113.79586	2.7
116.98566	2.8
128.33304	2.2
160.11584	2.5
176.13606	2.6
179.89624	2.4
193.04901	3.4
193.06831	2.5
195.04788	4.3
213.05737	3.5
258.99747	12.6
277.00757	4.1
323.25537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
55.05512	15.6
57.03446	2.8
57.07093	17.4
67.05507	15.5
69.07072	97.3
79.05497	4.8
81.07067	50.0
83.08629	34.0
85.06552	21.8
91.05455	3.2
93.07036	14.9
95.04986	2.9
95.08602	64.5
97.06542	2.3
97.10165	13.9
99.08109	28.5
105.07059	4.8
107.08611	30.1
109.06490	3.2
109.10164	41.7
111.11717	9.6
113.05996	12.6
113.09640	5.6
119.07758	2.3
119.08576	11.6
121.10132	34.5
123.11713	18.3
125.09602	2.9
125.13274	9.5
127.11205	2.7
133.10059	5.7
135.08090	3.1
135.11696	100.0
137.13239	5.0
139.11186	4.2
143.14323	9.9
147.11700	11.5
149.13260	87.2
153.12572	2.6
161.13266	10.0
162.47394	2.8
163.14792	31.4
175.14870	4.8
177.12642	2.7
177.16383	20.4
181.12187	19.1
189.16434	13.8
191.17911	5.7
193.12344	4.2
195.13770	4.2
198.97115	2.7
203.17993	9.3
207.17616	3.2
259.24222	29.3
269.22821	3.1
277.25238	86.5
287.23743	15.2
291.19559	13.1
305.21262	4.6
305.24741	62.5
323.22430	5.0
323.25784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69477	0.4
57.84798	0.4
67.05509	0.7
69.07552	0.4
70.06599	3.3
72.04517	1.9
72.08165	6.1
79.05510	0.4
81.07064	0.4
82.06573	0.6
83.07359	1.0
84.05634	3.9
84.08151	1.7
92.17720	0.4
93.07050	0.8
99.07955	0.4
105.07030	1.9
105.22339	0.4
107.08593	1.6
109.10166	2.1
110.07156	0.9
112.07613	1.6
112.08765	0.5
113.10773	0.6
114.09179	22.1
123.10432	0.5
124.08698	0.6
133.06506	2.1
133.10086	0.8
136.08734	0.6
138.10255	2.2
139.11064	2.0
143.11807	0.5
152.11870	0.6
153.12592	0.5
156.11287	0.4
160.57681	0.4
166.13376	0.5
173.14005	1.6
185.69415	0.4
192.11380	2.5
192.14970	4.7
197.13976	13.1
197.15807	0.6
210.12335	4.4
210.16113	1.6
222.14883	0.6
223.15564	2.1
237.17142	1.7
238.17841	3.9
246.16042	1.9
246.19699	0.7
249.05554	0.6
249.17088	1.0
262.15506	0.6
264.16983	3.7
264.20758	1.7
295.05951	1.7
305.19870	1.6
305.23328	19.5
323.05643	3.5
323.20779	88.6
323.24487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12338	0.4
55.05503	1.7
60.05648	0.8
67.05500	1.8
69.07068	0.4
70.06575	2.0
72.04509	1.7
72.08150	4.7
79.05482	2.2
81.07072	4.9
84.08154	1.0
85.06550	0.6
89.70238	0.5
91.05490	8.0
93.07042	4.6
94.06609	0.7
95.08620	1.9
97.06462	0.5
105.07038	12.6
107.08595	1.1
109.10195	0.8
110.07184	0.8
112.07599	3.1
113.10779	9.7
114.09174	31.3
115.08711	3.4
117.07009	0.5
131.08582	1.9
131.11797	4.5
133.10144	3.5
136.08711	1.0
137.06046	0.7
138.27176	0.5
143.11775	1.0
156.10144	0.7
156.11320	10.9
161.06023	1.5
162.06853	0.5
171.12450	0.7
173.13965	10.0
188.82698	0.5
192.14951	3.0
193.95386	0.5
195.98482	0.5
197.14061	1.9
210.16068	0.9
221.27734	0.5
223.15459	3.2
231.08134	0.6
237.17160	0.8
248.08139	0.5
249.17122	0.7
259.07477	0.7
291.10083	1.8
305.23392	5.3
323.12436	3.2
323.24417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79908	0.4
55.05526	0.9
60.05645	2.6
64.67181	0.4
66.03155	0.5
67.05499	1.2
70.06586	2.9
70.53108	0.5
72.04513	1.9
72.08165	4.5
73.04025	0.5
74.22359	0.5
79.05473	0.8
79.84705	0.4
80.11903	0.5
81.06673	0.5
81.07069	9.0
84.05627	0.6
86.07195	0.9
87.07957	0.7
91.05489	1.1
93.07050	12.7
95.04981	1.0
95.08588	2.0
105.07053	0.7
107.08617	1.2
109.10166	0.9
112.07595	0.6
112.08739	0.7
113.10776	20.6
114.09174	51.8
115.08701	6.9
116.05326	0.9
123.11723	1.0
131.08553	0.6
131.11806	8.0
133.10103	1.0
135.11620	0.7
156.11320	20.4
173.13982	16.6
192.07797	3.0
197.13965	5.4
212.17596	2.3
244.15735	0.5
259.02625	0.8
259.23459	0.5
264.20779	0.8
281.22235	0.8
293.60535	0.6
305.23343	1.1
323.09149	1.0
323.12918	3.1
323.24411	100.0
341.61441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	1.2
67.05508	0.9
69.07060	3.3
70.06606	8.0
72.04495	1.0
72.08163	6.8
76.21813	0.8
81.07056	5.0
84.08152	25.0
87.04477	1.1
91.05491	0.8
93.07035	3.2
95.08594	3.2
105.07013	4.2
107.08572	3.6
109.06477	1.6
109.10137	5.2
112.07607	3.3
114.09168	28.9
114.31497	0.9
119.08584	1.1
121.10172	0.9
123.11716	1.0
131.08556	0.9
133.10098	5.5
135.11772	1.1
137.05917	1.2
138.06013	0.7
143.11807	47.9
149.13124	1.0
150.12764	1.5
151.11162	1.2
156.11415	1.1
161.05870	1.6
162.06769	3.8
178.13419	1.0
223.15468	4.9
231.08076	1.0
232.08707	0.9
247.17854	1.0
263.21149	4.2
281.22275	3.7
291.10138	3.2
291.21857	10.2
305.23804	3.7
306.21762	1.2
323.09116	1.8
323.12869	4.2
323.24408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33265	0.4
59.48082	0.4
67.05493	0.5
69.07036	0.5
70.06595	8.5
72.04500	3.2
72.08158	4.6
80.83466	0.5
81.07061	2.3
83.04934	0.5
84.08149	26.8
87.28354	0.4
91.05464	0.7
93.07036	2.2
94.06535	0.8
95.08562	0.5
98.09683	0.6
105.07024	2.7
107.04931	0.4
107.08612	3.2
109.06528	4.0
109.10145	2.4
109.85597	0.5
112.07639	3.1
114.09172	26.3
114.44833	0.5
115.08702	0.6
131.11865	0.7
133.10158	4.8
143.11806	44.2
144.08099	0.5
150.12793	0.9
173.14078	0.8
196.47639	0.5
197.13980	0.5
204.17584	0.7
207.14986	0.6
223.15421	0.6
247.18019	0.8
263.21216	5.1
281.22269	3.1
291.21921	2.1
305.23596	2.0
306.21759	2.5
323.24423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.6
55.05511	6.1
55.85078	2.1
57.03449	2.5
57.07092	2.6
67.05505	19.0
67.32076	2.3
69.07048	4.1
71.08608	2.1
73.04515	2.2
79.05486	15.8
81.07062	42.4
83.04974	15.7
83.08624	5.6
85.06537	4.2
86.46124	2.4
91.05470	4.2
92.61717	2.5
93.07068	20.0
95.04945	10.8
95.08616	16.9
97.06573	3.7
97.10146	10.5
98.97604	4.3
99.04452	3.1
105.07038	11.7
107.04937	3.2
107.08608	5.6
109.10162	11.3
111.04453	34.5
111.08066	13.3
119.08591	27.6
121.06519	6.1
121.10158	14.4
123.08092	3.5
125.09596	10.5
129.07027	3.6
131.08575	6.1
133.06490	2.7
133.10144	3.1
135.08055	5.7
135.11722	12.2
145.10146	19.7
147.08057	15.6
149.09633	4.4
153.12729	18.2
157.10123	2.7
159.11708	3.2
161.06062	3.3
161.09697	2.5
163.11211	24.7
165.09244	2.8
173.09599	4.3
181.12262	15.8
191.10680	9.9
209.11734	2.8
220.17023	4.0
221.17343	18.7
223.13330	2.9
227.12776	22.0
231.08121	3.2
249.14798	4.2
258.99713	3.8
259.07468	3.0
273.18549	13.7
291.10165	12.5
291.19571	100.0
305.21030	4.9
305.24380	3.9
323.12753	14.0
323.21674	4.0
323.24277	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	323.2219
Annotation	Decylubiquinone
Peak:m/z	Relative Intensity
52.94267	7.4
53.13530	8.2
55.05502	8.4
60.68382	9.2
67.05501	43.7
67.34210	8.3
69.07077	17.8
75.31567	9.6
79.05512	16.9
81.07065	87.5
83.05000	40.3
91.05481	19.1
93.07048	44.1
95.08595	19.4
97.06521	11.0
105.07019	15.8
107.08607	19.9
109.10155	58.0
111.08177	9.9
119.08612	14.9
123.11701	11.8
131.08667	10.4
133.10132	100.0
135.11725	10.6
148.59969	9.0
151.11174	59.8
155.56795	10.2
161.09656	12.9
183.13806	16.8
193.04973	16.8
213.05959	10.9
258.99789	11.4
263.20248	9.4
273.18463	17.4
291.19601	45.3
305.21210	47.1
323.18689	9.5
323.22156	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Decylubiquinone
Peak:m/z	Relative Intensity
55.01879	6.4
55.05524	26.7
57.03422	6.7
67.05521	30.7
69.07072	24.9
74.64884	2.8
79.05500	32.2
80.29285	2.9
81.03429	21.8
81.06608	3.7
81.07070	78.8
83.04999	7.6
83.08628	24.8
83.09474	2.8
91.05485	14.0
93.07053	25.6
95.04960	21.0
95.08604	32.5
97.06522	6.2
97.10173	47.3
100.32677	3.6
101.07375	3.4
105.07059	19.2
107.04939	3.7
107.08618	26.8
108.18614	3.1
109.06544	7.9
109.10158	17.1
111.04453	8.1
111.08074	6.4
111.99729	3.6
117.07033	11.0
119.08575	19.3
121.10148	12.7
123.08107	32.6
125.09653	28.1
129.07050	4.4
131.08539	7.9
133.10118	13.6
135.08112	4.6
135.11703	6.1
137.06010	5.5
137.09674	14.0
139.11057	3.1
143.08574	3.3
144.11572	3.3
145.10117	7.4
147.07965	3.9
147.11697	4.4
149.09648	5.4
149.13307	3.9
153.12836	4.5
157.10075	4.4
163.11177	23.6
165.09160	8.0
171.08318	2.9
171.11723	3.5
175.11122	4.3
181.12259	6.1
191.10510	5.2
193.12292	18.5
203.12773	7.1
227.12740	4.2
231.08090	5.7
259.07648	6.2
263.10913	5.4
273.18445	30.5
291.10153	6.4
291.19568	100.0
305.21072	20.1
323.12915	6.6
323.22089	50.4
323.25137	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.9
62.73518	3.0
67.05516	5.8
67.22269	3.3
69.07079	3.8
71.04997	7.5
79.05493	6.5
81.07062	17.1
83.04974	14.6
91.05468	5.2
93.07023	8.2
97.06573	4.1
98.97582	5.5
105.07052	13.3
107.04973	5.0
107.08633	5.8
109.06482	3.5
117.80718	3.7
119.08582	4.4
123.08080	5.0
125.09700	4.1
127.11250	3.8
129.15747	3.7
129.97511	3.5
131.08560	3.5
133.10201	4.3
135.11685	3.8
147.08083	7.6
149.06001	7.2
149.68141	3.4
163.11171	100.0
208.87410	3.7
258.99747	8.1
273.18494	7.8
277.00833	13.8
291.19455	4.9
305.21240	6.5
323.18570	77.8
323.22021	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.3
63.69704	4.9
64.11177	5.2
67.05511	12.7
81.07045	18.8
85.06558	21.2
93.07057	11.7
94.01556	6.0
95.04983	22.6
98.97590	8.8
105.07063	8.0
109.06532	33.1
113.06007	100.0
121.10121	6.3
131.08640	7.6
135.08038	9.3
144.31924	5.9
145.10175	5.7
154.82199	5.0
156.09731	4.8
163.11143	6.2
178.62166	5.3
181.12277	6.1
194.01025	5.4
227.12773	8.1
240.22861	5.6
258.99680	19.4
273.18665	10.4
277.00748	10.0
291.19580	89.6
297.48196	6.7
305.21094	8.9
308.97937	5.3
323.22043	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	323.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76547	1.9
66.48162	1.9
81.17965	1.9
98.97553	3.8
103.32994	1.9
167.56490	2.2
182.16260	2.0
193.04991	2.7
258.99725	8.1
277.00745	3.8
280.14761	2.2
323.12775	8.5
323.18564	4.3
323.21942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44498	0.5
60.60401	0.5
64.17845	0.5
67.05502	1.0
69.90565	0.5
78.89156	0.6
81.07052	2.9
83.04945	0.5
92.17900	0.7
93.07031	1.5
95.08603	0.8
104.96448	0.7
107.08615	1.0
131.08546	0.9
148.03436	0.7
161.06091	0.6
171.11729	0.8
285.91849	0.7
305.21100	3.9
305.24359	0.8
323.12958	2.3
323.21945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41425	0.3
58.74341	0.3
60.04522	0.3
67.05502	0.5
70.06593	2.5
70.70504	0.4
72.04520	2.0
72.08160	5.9
79.05531	0.3
81.07043	0.4
82.06596	0.5
84.05635	4.9
84.08157	1.7
87.68657	0.3
93.07054	0.6
98.07188	0.5
102.20948	0.4
105.07030	1.4
107.08589	0.6
109.06485	0.4
109.10173	1.5
110.07163	0.6
112.07610	0.7
114.09172	18.4
122.09676	0.4
131.11794	0.5
133.06502	1.7
133.10165	0.5
136.08713	0.5
138.10262	2.1
139.11038	0.6
143.11816	0.5
150.09184	0.4
166.13420	0.4
170.09802	0.4
170.30624	0.4
173.13982	0.8
182.14217	0.4
192.11348	2.3
192.14938	2.0
197.13989	11.7
206.05386	0.6
210.12413	6.7
210.16087	0.7
222.14885	0.7
223.15555	1.9
237.17186	0.7
238.17918	2.1
246.16095	2.1
246.19713	0.5
249.17091	0.7
260.92526	0.4
264.17078	3.2
264.20773	0.5
305.19812	1.8
305.23285	10.7
305.26599	0.6
323.09650	1.4
323.20792	100.0
323.24484	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95932	0.4
60.04515	1.0
72.04524	11.8
72.08158	16.4
81.56858	0.4
97.53197	0.5
105.99962	0.5
114.09172	70.9
121.39783	0.4
135.04454	0.4
138.06647	1.7
144.10143	0.7
161.12839	0.5
163.03885	6.4
192.11314	1.0
210.12378	15.7
234.11353	0.6
323.20770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.208
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04504	0.5
62.65192	0.4
70.06581	0.7
72.04224	0.4
72.04535	7.8
72.08157	11.8
88.14946	0.5
92.17865	0.7
108.82277	0.4
114.09175	56.3
143.10979	0.5
152.03728	0.5
158.05956	0.9
192.11334	5.3
197.13972	0.7
210.12347	6.1
228.49411	0.6
251.15042	3.8
305.19781	3.7
323.12637	2.5
323.20795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28416	1.2
55.05512	1.6
58.29457	1.2
62.96389	1.3
70.06599	1.8
72.04533	16.9
72.08170	24.5
81.07053	1.4
90.72273	1.3
101.07148	1.4
105.61192	1.5
114.09180	100.0
128.04579	3.1
132.50580	1.3
138.10281	12.6
145.02843	13.1
164.08211	9.1
174.10295	6.7
177.05478	53.3
180.07712	9.3
182.09274	44.9
192.11298	12.2
197.14006	12.2
223.11909	15.1
241.12976	36.0
287.18994	1.9
305.16147	3.3
305.19727	81.8
306.14642	2.6
323.17151	24.8
323.20825	90.6
323.24402	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	323.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
57.18120	1.0
60.04511	1.7
70.06580	2.3
72.04521	14.5
72.07815	1.2
72.08157	22.2
79.33909	1.1
81.07034	4.2
84.03056	1.0
84.05609	2.3
91.05439	1.3
95.06078	1.5
98.10645	1.1
102.90257	1.1
109.06460	1.5
109.11446	1.1
114.09166	100.0
121.29588	1.2
128.04556	4.5
138.10278	13.4
145.02827	9.3
146.05994	6.7
164.08162	7.2
174.05481	1.5
174.10321	7.9
177.05458	35.3
180.07661	8.2
182.07693	1.9
182.09253	48.8
190.78328	1.3
192.11375	12.6
197.13989	15.3
217.04909	1.4
223.11888	11.5
241.12938	40.6
245.09163	4.8
263.10345	1.5
269.20972	1.6
287.10205	1.3
287.18561	5.2
305.11212	5.9
305.19724	75.7
306.14520	1.5
323.12320	9.4
323.16904	13.7
323.20697	90.8
336.81635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84378	0.6
71.87823	0.7
81.07050	0.8
95.08600	1.1
127.12275	0.9
128.10736	0.8
142.00710	0.7
148.76680	0.8
206.40016	0.7
213.00948	0.7
231.76108	0.7
291.10254	1.1
323.18314	100.0
323.21661	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	323.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03306	0.4
56.81390	0.4
60.05653	2.4
72.08154	9.6
74.44202	0.5
76.55712	0.5
83.54758	0.5
94.33729	0.6
103.84283	0.6
114.09189	4.0
114.10282	9.9
115.08705	0.8
118.73477	0.5
131.12924	9.3
137.05978	2.2
150.03105	0.5
152.45261	0.5
157.10890	1.1
169.33130	0.5
174.68724	0.5
177.05493	1.0
178.02608	8.2
179.07034	1.0
193.04967	100.0
249.15880	0.8
250.14410	3.2
263.13983	0.8
264.12335	1.9
306.14597	2.1
323.17194	60.8
323.20834	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	323.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22096	0.5
55.05497	2.2
60.05639	1.0
66.31541	0.5
66.83140	0.5
70.06572	2.6
72.08159	9.6
72.59852	0.5
73.04013	0.6
89.10802	1.0
97.07677	5.6
98.05446	0.8
98.06057	15.8
105.71231	0.6
114.10302	11.7
115.08686	5.7
119.04825	0.7
123.04434	0.7
131.12932	4.6
149.06010	1.0
157.10854	22.0
161.02136	0.6
165.05542	5.0
167.07037	16.9
168.06648	0.7
178.02635	4.7
192.06561	0.8
193.04973	98.4
222.07732	0.6
224.15327	0.6
231.11378	0.8
232.09697	2.2
236.12866	2.7
246.12390	0.7
263.13934	1.0
264.12238	5.5
295.17731	0.7
306.14551	1.4
323.07190	2.9
323.17139	100.0
342.97650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05666	0.7
70.06586	3.7
72.04525	1.4
72.08163	10.1
73.74339	0.5
75.68303	0.6
81.07083	0.6
89.03904	0.7
101.07138	2.8
109.06535	0.6
112.08656	1.0
113.07120	0.6
114.09163	19.7
114.10331	1.0
117.03367	2.4
129.11380	2.9
130.09784	4.5
137.05992	2.7
138.10287	2.7
139.75131	0.6
144.77176	0.6
145.02844	26.1
164.08286	1.0
174.10286	1.1
177.05470	100.0
179.06989	0.8
182.09221	7.5
192.11333	1.4
193.04965	7.0
197.14037	2.2
223.11957	2.5
241.13011	6.5
246.11234	1.5
250.14386	4.0
289.11810	1.1
305.16245	2.1
305.19666	15.3
306.14548	6.7
323.17111	49.9
323.20801	22.7
323.24542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39055	0.3
55.05535	0.5
55.29270	0.3
56.03424	0.2
60.05658	4.0
64.85176	0.3
67.20148	0.3
67.70971	0.3
68.39044	0.3
70.06610	4.0
71.04987	0.3
72.08161	18.1
74.06088	0.6
81.07053	0.6
84.04516	0.6
84.08151	2.8
85.02887	0.5
86.09699	3.2
88.03983	0.8
89.10802	2.5
91.05480	0.3
94.06538	0.5
95.06071	2.2
96.42762	0.3
97.07636	1.4
98.06038	1.4
101.07134	0.6
107.05025	0.3
113.07133	1.5
114.10294	12.5
115.08677	1.7
119.04908	0.4
124.07536	0.4
129.10217	1.8
129.11279	0.5
130.08755	0.3
130.09737	1.5
131.11990	0.5
131.12929	9.8
133.02820	0.3
135.04387	0.4
137.05963	1.9
138.05345	0.4
144.08081	2.9
145.02853	7.3
146.05989	4.1
147.04417	9.2
149.05998	0.6
149.09697	0.4
150.03090	1.7
157.10847	2.7
161.02330	0.6
163.03868	1.5
165.05365	0.4
167.07021	0.3
174.04179	0.4
174.05528	2.5
175.03879	2.8
176.07100	0.6
177.05473	29.1
178.02641	8.0
178.04965	0.7
179.06989	0.7
184.06148	0.4
189.05533	0.3
193.04970	100.0
202.03369	0.4
203.03407	0.5
204.10193	0.6
207.06496	4.1
214.08644	0.4
231.11227	0.6
232.09697	1.7
234.11397	0.5
235.06027	0.6
235.10867	0.4
245.09175	2.3
246.11275	1.8
249.15944	0.4
250.14392	2.5
259.10941	0.5
260.09201	0.6
263.10324	0.8
263.13800	1.5
264.12326	2.2
277.08304	0.3
277.11624	0.5
278.10254	0.8
281.11301	1.5
287.10239	0.8
288.12402	0.3
289.12201	0.4
291.14478	1.6
305.11337	4.4
305.15506	1.5
306.09760	0.6
306.14310	3.6
323.12433	13.6
323.17035	76.1
323.20306	4.4
324.23618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71663	0.4
55.05503	0.4
60.05622	0.4
60.92714	0.4
66.54832	0.4
69.03433	0.4
70.06586	2.6
70.10240	0.3
71.04996	0.9
71.29395	0.5
72.08165	6.3
84.08157	3.1
86.09722	0.6
95.04976	0.7
95.06085	1.6
98.06043	2.7
105.01801	0.4
110.06013	0.5
111.04466	0.9
112.11266	0.3
113.06013	0.5
114.10271	1.0
117.03342	2.7
122.06010	1.8
123.04390	0.5
127.03931	0.6
130.08655	5.2
130.59297	0.4
131.12999	0.6
133.62375	0.4
136.07594	0.4
137.05959	0.5
138.05527	1.9
140.07077	2.0
144.08092	2.4
145.02856	31.7
146.06018	1.5
147.11313	8.1
148.07573	0.8
149.05960	1.7
156.06552	3.8
163.04027	0.4
172.07523	0.5
174.05579	0.6
174.09094	0.6
176.07118	0.8
176.10333	0.7
177.05475	88.9
184.06047	9.6
184.56828	0.4
190.08586	0.7
193.05000	2.6
194.08151	0.9
195.06606	0.5
204.10335	0.4
214.08638	2.2
214.97360	0.5
215.07123	0.6
217.09785	0.4
218.08113	2.2
232.09656	3.8
235.10851	1.8
236.09235	4.6
241.09676	0.9
242.08148	2.4
244.09645	0.6
246.07561	0.6
248.12833	2.6
259.10797	7.5
260.09177	7.1
263.10284	0.6
264.08701	4.9
277.11880	8.9
277.15024	0.7
278.10245	10.6
281.11340	14.0
287.10437	0.7
288.08679	5.0
291.10123	0.5
305.11353	13.8
305.14966	1.1
306.09717	5.9
323.12396	100.0
323.16266	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1604
Annotation	Terezine B
Peak:m/z	Relative Intensity
51.24002	0.5
55.05507	1.6
60.05639	1.6
67.05502	0.7
70.06586	5.6
72.08161	56.7
84.04491	1.1
84.08150	12.6
85.02890	0.9
86.09679	4.4
86.40111	0.7
89.10796	19.2
90.43960	0.8
97.07611	0.8
98.06031	3.8
98.59610	0.7
101.00854	1.3
102.05506	0.9
105.07034	1.1
111.37896	0.7
114.10303	6.6
114.56459	0.7
115.08652	2.7
117.03333	1.5
117.06965	1.2
119.01862	3.1
119.04948	0.8
120.08114	0.8
129.10205	1.2
129.11243	0.7
130.08611	9.0
131.12949	12.3
133.06477	1.4
133.10068	0.9
137.02939	0.7
137.05998	0.8
145.01746	1.2
145.02846	31.6
145.06425	3.8
147.04414	68.2
147.11290	8.7
147.12338	1.3
148.05164	0.8
149.06007	8.6
151.03934	1.0
157.10748	2.9
163.03818	1.7
169.00986	0.7
174.05589	0.9
175.03902	15.7
177.05470	75.8
179.07004	6.8
189.05353	3.2
193.04970	12.1
203.03470	6.3
207.06529	39.2
209.06500	1.3
219.04956	1.5
221.04424	4.6
233.06659	6.1
235.06024	9.1
237.06036	5.4
251.07582	3.6
263.07202	0.8
264.12189	6.2
279.06961	1.8
279.16949	1.7
291.10275	0.9
297.08154	1.4
305.10901	3.2
306.13367	8.5
320.42059	0.7
323.05988	4.9
323.12515	3.7
323.16077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1604
Annotation	Terezine B
Peak:m/z	Relative Intensity
70.06596	2.3
70.75153	0.5
72.08161	23.9
72.18143	0.6
77.23344	0.5
78.88693	0.5
84.08150	9.0
85.02889	0.6
89.03915	0.7
98.06081	4.1
98.90945	0.5
101.10777	0.6
112.91302	0.5
114.10287	3.5
115.08723	1.1
117.03365	2.0
117.85879	0.5
120.08092	0.5
121.08463	0.8
131.12901	0.7
135.04440	3.9
137.05978	0.9
144.10202	20.4
145.02838	7.4
147.04422	0.8
157.10846	6.9
161.02081	1.0
161.12857	14.1
163.03900	100.0
165.05478	0.7
167.07048	2.3
177.05479	1.9
178.04970	0.6
185.04243	2.8
189.38330	0.5
193.03258	0.9
193.04979	21.9
193.06700	1.0
195.04916	0.5
203.05136	0.6
232.09570	1.0
233.06468	0.7
234.11266	8.3
236.12770	0.6
264.12308	4.3
279.16907	1.7
293.16006	2.2
323.07645	9.7
323.16312	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1396
Annotation	Endophenazine B
Peak:m/z	Relative Intensity
59.06444	0.4
72.08172	0.8
79.05546	0.6
81.07027	0.7
82.59167	0.5
82.93478	0.4
91.05479	11.4
92.18477	0.4
95.08607	0.8
105.07053	3.6
107.04968	0.8
107.08584	0.7
109.10182	0.7
111.08143	0.8
115.05430	0.8
115.06792	0.6
117.05765	0.8
118.06526	1.0
120.08118	2.1
121.10158	0.9
123.04446	2.4
130.06531	11.5
131.04956	0.9
132.08098	100.0
145.10019	0.6
150.09151	3.4
157.07660	1.1
158.06018	2.1
169.07603	6.6
174.07904	0.7
178.08635	33.1
181.07646	1.0
193.04984	2.9
213.05707	0.5
218.09549	0.5
220.11218	78.6
231.36720	0.5
232.11284	0.8
242.46014	0.5
259.12317	8.6
277.13382	16.3
305.12863	16.5
323.13919	40.3
323.17059	2.1
323.25867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77292	0.4
55.05506	0.8
59.79098	0.6
60.05649	0.8
60.08165	0.5
67.04250	0.8
70.06561	0.6
72.08163	14.0
73.04044	0.9
84.08149	0.9
97.07661	1.1
98.06055	2.8
109.17401	0.6
114.10294	19.5
115.08697	9.4
121.02842	4.4
123.77814	0.5
125.01717	0.7
149.02348	3.2
150.90427	0.6
163.03867	0.9
164.03526	0.9
165.01851	2.5
175.04967	1.1
177.05455	1.0
178.05812	1.0
193.01334	100.0
210.04013	1.1
217.09738	4.6
218.08133	2.7
220.06137	1.2
235.11459	0.7
254.23767	0.7
260.10306	0.6
263.10254	8.4
264.08661	32.8
264.11475	1.1
279.13541	0.8
306.10760	6.1
315.37021	0.6
323.13501	89.0
323.21521	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	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
54.74233	1.0
62.17297	1.0
85.04828	1.1
104.68450	1.1
105.07017	4.8
109.06554	1.7
133.06508	10.7
136.82231	1.0
137.05992	22.2
146.03569	1.6
161.05977	59.1
167.04980	1.4
193.04935	1.5
199.07535	11.5
202.07837	2.6
203.08614	10.7
219.08041	1.3
220.08904	2.1
231.08061	44.5
232.08798	2.6
235.11281	2.4
248.08255	16.4
258.06769	2.3
259.07538	33.2
260.08298	32.7
261.09128	1.8
262.09821	1.5
263.10666	24.0
275.07077	1.7
276.07825	21.3
277.08636	2.3
291.10150	100.0
292.10858	5.7
293.08066	5.7
308.10413	6.4
323.08871	2.8
323.12784	85.1
323.16293	2.8
323.21933	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	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
52.97270	1.0
53.94595	0.9
55.05513	1.4
60.97792	0.9
67.05502	1.6
68.54604	0.9
69.07051	1.2
71.08623	1.4
76.26955	1.0
79.05483	1.9
79.51255	0.9
81.07054	2.2
83.04993	1.1
91.05461	1.7
93.07028	2.3
95.08578	2.3
98.97605	1.3
105.07055	8.7
109.06500	1.6
109.10174	1.6
115.05487	1.8
119.08515	1.3
121.10069	1.1
124.01077	1.2
131.08618	1.4
133.06477	5.7
133.10103	2.1
137.05983	19.7
137.40475	1.2
161.05974	55.9
177.08992	0.9
199.07549	10.6
202.07861	1.2
203.08501	11.1
207.37941	1.0
215.08214	1.0
220.08948	1.5
222.36015	1.0
231.08031	31.5
232.08754	7.5
232.32866	1.2
235.11108	2.3
245.09555	1.1
248.08313	16.1
258.06781	2.3
259.07556	32.6
260.08310	31.8
262.10092	1.8
263.10672	27.3
276.07822	20.3
277.00903	1.8
277.08585	4.6
287.85910	1.2
291.10150	100.0
291.19455	10.1
292.10919	4.4
293.08051	1.1
295.13058	1.9
308.10370	5.9
323.09467	2.9
323.12775	79.8
323.18396	2.1
323.22028	3.9
327.05609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54213	1.3
60.33341	1.6
67.12366	1.4
88.70531	2.0
98.97542	2.0
105.07053	3.3
133.06485	9.8
137.05974	15.9
161.05980	53.9
161.84348	1.7
199.07544	8.1
202.07814	1.9
203.08601	13.5
220.08951	2.7
231.08072	45.7
232.08839	8.1
245.09616	3.4
248.08232	15.4
250.76328	1.7
258.06699	2.8
259.07520	36.3
260.08353	35.1
263.10660	26.0
276.07828	23.8
277.00589	2.5
277.08673	2.3
289.33817	1.6
291.06900	3.4
291.10181	100.0
292.10983	3.0
293.08243	2.3
308.10599	2.0
323.12796	81.4
323.21814	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	323.1281
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
56.29922	1.7
64.28725	2.1
65.11501	1.6
73.63893	1.7
83.23330	2.2
98.97617	3.1
101.35746	2.0
105.07037	3.3
116.98689	2.4
120.73880	2.2
131.82288	2.1
133.06541	3.9
137.05962	12.5
161.05962	34.9
165.07047	2.3
167.06999	3.1
199.07541	10.1
203.08557	14.3
231.08044	30.4
232.08676	3.8
241.11026	2.7
248.08279	14.6
249.09116	12.2
258.99783	4.3
259.07553	22.5
259.11954	2.9
260.08380	16.1
263.10800	16.2
276.07751	20.8
277.01099	2.6
277.08612	8.8
277.12936	3.9
280.10971	2.8
287.16602	2.0
291.10162	66.0
292.10886	4.9
293.08026	9.8
308.10181	15.8
323.09247	8.5
323.12759	100.0
323.18549	8.5
323.21915	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	323.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27641	0.5
56.77711	0.5
62.30716	0.4
65.76550	0.5
66.12383	0.5
67.05500	0.7
70.06593	0.5
71.05010	4.1
72.08167	6.9
73.08460	0.9
84.08134	2.4
85.67026	0.5
86.09700	2.5
95.04959	2.9
98.06055	11.8
100.03961	0.8
110.06022	3.3
111.04446	6.1
113.06017	7.2
114.10246	0.8
118.27586	0.5
122.06014	7.1
123.04378	0.9
128.07088	0.6
129.10202	0.8
138.05507	4.9
139.03894	2.5
140.07086	26.2
145.02831	2.3
146.03156	2.4
152.07138	0.6
156.06551	25.1
157.04965	2.3
166.04959	0.8
172.07597	0.6
177.05431	7.4
178.05840	8.0
184.06055	82.9
193.01352	6.7
198.07655	0.6
217.09660	1.0
218.08047	0.6
232.09706	3.9
234.11203	2.5
235.11562	4.9
236.09091	3.8
259.10947	0.7
260.09164	3.0
264.08585	5.8
277.11630	0.7
278.10239	14.5
281.11313	18.5
306.09708	3.4
306.18927	1.1
323.12408	100.0
323.21692	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	323.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56026	0.7
54.40239	0.7
54.73624	0.7
67.05499	1.2
70.06583	1.6
71.04967	3.2
72.08153	8.6
73.08493	1.2
79.37951	0.6
82.93258	0.7
84.08128	1.7
85.02866	1.0
88.60490	0.7
94.13166	0.8
95.04934	1.7
97.56334	0.7
97.79787	0.7
98.06042	6.7
110.06032	1.6
110.07114	1.0
111.04452	5.5
113.06005	6.5
115.00517	0.8
115.08765	0.8
120.08011	0.8
122.06046	6.8
123.04421	4.3
123.08115	0.8
128.21481	0.8
138.05525	9.8
140.07071	31.2
146.03148	1.0
153.05429	4.8
154.05739	2.8
156.06551	27.5
157.04947	3.6
158.05992	4.4
162.03001	0.9
163.03821	2.8
165.07408	1.0
177.05461	8.3
178.05820	8.0
184.06049	80.6
190.08643	1.3
214.08730	0.9
218.08133	1.0
219.11073	0.8
232.09682	5.6
233.12787	1.6
234.11249	1.7
235.11578	7.1
236.09184	7.4
250.30876	0.8
259.10736	1.5
260.09119	7.9
262.11566	0.7
263.10278	1.6
264.08633	4.8
278.10236	32.8
281.11334	14.1
295.05896	1.6
305.11795	3.6
306.09665	8.5
306.18875	1.0
323.05698	5.6
323.12427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55614	0.3
60.47422	0.3
70.06589	0.3
71.05006	0.4
72.08144	1.9
84.04474	0.3
84.08129	0.4
94.06562	0.6
95.04943	0.5
98.06055	2.1
103.13692	0.3
110.05962	0.4
111.04445	0.7
113.06004	0.7
113.07085	0.3
122.06037	1.9
123.04449	0.5
125.94978	0.3
137.05975	0.3
138.05505	2.1
140.07059	3.2
144.08044	1.3
145.02850	3.4
146.06020	2.3
148.03917	0.4
148.07564	0.6
156.06552	3.1
160.07660	0.3
167.07047	0.4
174.05518	1.4
176.07030	0.5
177.05472	10.4
184.06047	12.4
190.08658	1.3
193.04947	1.3
194.08119	0.8
195.06477	0.4
198.07904	0.4
198.94574	0.3
200.07097	0.4
202.08641	0.5
204.10245	0.5
214.08604	1.5
215.06964	0.4
217.09811	0.7
218.08107	2.9
228.06459	0.4
231.11113	0.4
232.09763	3.1
235.10728	1.6
236.09192	4.9
241.09766	1.5
242.08150	2.2
246.07506	0.4
247.10542	0.4
250.10809	0.4
251.07880	0.5
259.10776	7.5
260.09140	8.1
263.10315	0.7
264.08609	4.2
276.82077	0.3
277.11819	9.8
278.10236	10.2
281.11313	14.8
288.08655	5.3
291.10217	0.5
305.11365	13.7
305.14850	1.0
306.09720	5.7
323.12399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1239
Annotation	Brachystemidine C
Peak:m/z	Relative Intensity
55.05502	0.4
71.87714	0.4
72.08154	0.5
76.62197	0.4
81.07080	0.5
95.04930	0.6
95.06020	0.3
98.06078	2.9
101.06007	0.4
110.06068	0.5
111.04425	0.7
113.06001	0.7
122.06017	1.7
123.04504	0.5
124.07593	0.5
125.94283	0.4
128.07115	0.3
137.06084	0.4
138.05505	2.0
140.07088	2.7
148.07538	0.4
149.05975	0.5
156.06555	3.9
163.03905	0.4
174.09221	0.5
176.07097	0.4
177.05434	5.7
184.06064	12.0
190.08554	1.3
194.08098	1.6
200.07071	0.5
202.08597	0.5
214.08682	2.1
215.07022	0.4
217.09778	0.8
218.08081	3.0
228.06502	0.5
228.25027	0.4
231.11301	0.7
232.06036	0.4
232.09698	4.1
235.10835	2.0
236.09187	6.0
241.09718	1.4
242.08047	1.9
244.09648	0.5
251.07674	0.4
259.10776	8.3
260.09189	8.0
263.10217	0.5
264.08615	4.6
269.21027	0.5
270.07507	0.5
277.11810	7.8
278.10226	9.2
281.11319	15.6
287.10275	0.5
288.08707	4.6
305.11356	12.0
306.09711	7.4
323.12390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36126	0.5
55.05523	1.3
58.23169	0.6
60.05634	2.8
61.02937	1.4
66.85486	0.6
69.03435	3.6
70.06587	3.4
72.08160	25.8
73.02926	0.9
73.77261	0.8
81.03442	0.8
82.13363	0.9
84.04465	1.0
84.08171	1.5
84.53645	0.6
85.02922	10.9
86.09731	3.1
87.04476	1.3
87.25020	0.7
89.10789	0.9
97.02913	5.7
97.07672	6.1
98.06059	6.2
99.04484	0.8
109.02905	1.0
114.10304	33.7
115.08679	13.3
120.08102	0.8
123.04433	23.3
127.03934	3.0
128.07141	0.7
131.04941	1.1
131.12939	6.3
137.06006	0.9
140.07039	0.9
147.04460	0.9
149.06006	1.2
157.10892	3.1
161.02110	13.0
163.03961	0.8
164.07097	1.2
165.05486	49.7
174.03146	1.4
175.03923	3.2
177.05486	3.3
178.05792	1.4
184.06143	1.5
185.04216	24.3
186.05502	0.8
192.06538	7.8
193.05035	7.8
203.05237	6.2
213.05800	0.8
221.02888	0.9
228.10199	1.0
234.11319	1.0
235.06291	1.0
235.11613	1.6
235.14258	0.7
236.12851	3.5
245.12952	1.4
246.11320	0.9
263.13998	4.1
264.12283	12.3
278.10114	0.9
288.13458	3.1
306.14529	4.2
323.07422	93.8
323.13181	4.2
323.17142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67627	2.2
66.86213	2.4
67.05504	4.7
69.07075	3.7
71.08624	12.4
71.62281	2.4
73.79216	2.1
74.91209	2.2
81.07045	4.4
84.67426	2.3
91.48380	3.0
93.07025	6.1
93.29149	2.9
95.08639	8.8
95.49168	2.4
99.08099	3.6
101.20531	2.6
104.99294	2.5
105.07034	3.5
105.41196	2.3
107.08601	5.0
109.10161	4.3
112.95799	2.5
121.10151	3.2
123.08074	5.4
142.12163	2.7
165.12781	12.9
175.14877	4.1
179.14391	4.0
180.14691	5.0
183.44914	2.7
193.15912	2.8
224.20113	9.7
234.92178	11.1
291.23132	18.0
322.24472	16.1
322.27451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11736	5.6
60.05622	5.6
62.06100	100.0
67.05504	8.4
73.03439	5.5
77.43863	5.6
79.05490	10.5
81.07078	7.3
84.04534	6.3
93.07051	9.8
95.08600	14.7
104.95570	5.6
104.99287	10.1
107.08653	8.6
109.10168	7.0
122.62930	5.5
131.08542	6.4
194.04474	8.8
212.05486	8.2
216.91141	14.8
234.92133	57.3
252.93349	9.7
257.93799	25.3
276.07053	8.1
307.79880	7.5
322.27206	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2168
Annotation	Phenazocine
Peak:m/z	Relative Intensity
50.56649	1.4
52.53357	1.5
53.41300	1.3
56.05034	1.8
59.04921	1.9
70.06576	8.1
79.61143	1.6
84.04485	24.3
85.02900	2.0
88.81882	1.6
102.05526	4.6
104.99277	7.9
108.08115	2.4
109.30776	1.8
117.34795	1.7
122.09624	3.2
130.05002	8.6
145.33395	1.8
160.11182	2.4
166.04979	4.0
177.57404	1.7
179.08684	1.8
192.91153	3.3
194.04474	18.8
201.50157	2.2
212.05490	20.6
216.91087	7.4
222.03983	2.1
223.11186	7.4
234.92148	17.1
240.05074	3.0
257.93774	8.1
258.06021	8.9
264.14072	2.0
265.15887	22.9
276.07135	11.5
286.05725	6.6
304.06833	2.6
322.07959	2.2
322.21628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59815	0.6
58.06601	0.9
58.28702	0.8
63.02387	0.9
70.06587	1.0
72.08161	48.1
75.09245	1.4
78.81181	0.6
84.04506	7.7
84.08143	1.0
85.02898	1.2
89.03931	1.2
102.05530	1.3
112.11254	5.6
117.03362	1.4
129.13914	6.3
130.04973	4.4
135.04321	0.8
145.02847	22.4
146.16512	1.4
155.11790	1.5
163.03932	0.9
166.04941	1.3
174.03940	0.9
177.05470	100.0
194.04539	8.3
212.05537	8.4
214.93599	0.7
219.08797	0.8
222.04027	0.8
234.11244	63.1
240.05028	2.8
251.13960	7.6
258.06024	5.7
276.07217	3.8
286.05591	2.7
304.06506	0.8
305.18573	17.3
322.21265	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14936	0.4
58.06598	0.7
67.01726	0.4
70.06582	0.9
71.04988	0.7
72.08161	48.9
75.09241	1.7
78.42458	0.4
84.04520	3.7
84.08142	0.8
85.02893	0.5
88.11263	1.5
89.03918	0.6
91.05465	0.4
91.15876	0.4
95.08614	0.9
101.07142	0.5
102.05538	0.6
102.39499	0.3
109.10149	0.7
112.11256	6.7
116.07053	0.8
117.03384	2.1
119.08541	1.4
129.13882	10.1
130.04997	0.7
137.09598	0.6
145.02852	26.3
146.16576	2.8
147.49301	0.4
149.06039	0.5
154.08546	0.5
155.11786	2.5
158.05963	0.6
165.09109	0.5
176.07027	0.7
177.05472	100.0
194.04550	3.8
212.05400	3.1
234.11253	50.8
240.04880	0.7
251.13907	7.0
258.05927	1.7
276.07077	1.0
286.05487	0.6
305.10452	0.6
305.18607	15.7
313.16699	0.4
322.13202	2.4
322.21262	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08163	43.9
74.26031	0.9
74.26645	0.9
75.09225	1.5
89.03923	1.1
96.02821	0.8
99.52996	1.0
104.63893	0.9
110.25482	0.8
112.11235	5.0
117.03398	1.2
129.13878	9.7
145.02861	27.6
146.16496	3.2
155.11798	1.6
166.12959	0.9
174.49908	1.0
177.05475	100.0
190.51382	0.9
195.84982	1.0
234.11269	47.6
237.62476	1.0
251.13887	7.8
291.12357	0.9
305.18616	15.0
322.21259	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83268	0.3
55.05524	6.5
57.05823	0.5
65.94904	0.4
69.77622	0.4
70.06596	3.3
72.08163	100.0
84.04513	0.7
84.08163	1.9
86.09737	0.6
88.02239	0.4
106.52575	0.5
113.10737	0.4
114.10307	0.4
116.05331	1.0
120.08109	37.0
125.09659	0.7
128.11905	0.4
129.10266	5.3
131.04910	0.7
145.02858	1.4
146.03206	0.5
149.06023	0.8
157.09718	13.5
163.03949	0.6
166.08638	46.4
169.12044	0.4
177.05463	6.4
177.10225	11.2
178.05898	6.3
184.06123	0.5
191.10515	0.5
192.06578	0.7
194.04559	1.9
210.62112	0.4
212.05560	0.6
223.10786	20.6
234.07651	0.5
234.11191	0.7
248.09332	0.5
248.14969	0.6
258.05978	0.5
268.04672	0.7
276.07538	0.4
277.15659	2.3
282.06439	0.7
286.05801	0.5
304.16617	0.6
308.04037	0.6
322.11655	14.0
322.17935	9.2
322.25082	0.5
322.62018	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	322.165
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropane
Peak:m/z	Relative Intensity
57.81796	0.6
62.10712	0.4
63.32264	0.5
70.06583	0.9
72.08157	0.6
73.64023	0.5
84.82005	0.5
94.34970	0.5
95.08664	0.6
102.24585	0.5
114.09187	0.6
130.04823	0.6
136.07578	2.7
137.08371	7.3
148.07553	3.3
151.49826	0.5
157.02809	0.5
159.86688	0.5
159.88148	0.6
160.07556	9.6
164.07104	1.1
165.11537	4.1
174.09148	2.8
175.06198	0.6
176.07062	5.5
178.08627	2.7
189.67824	0.5
190.08629	3.4
192.10202	3.6
193.10979	4.9
202.08670	0.8
202.12164	0.6
203.59973	0.5
203.79942	0.5
204.06575	0.8
205.07327	8.2
206.08176	0.9
209.10390	1.9
212.10696	0.6
216.13844	4.2
218.08141	1.0
220.09647	5.2
221.06844	0.7
221.87634	0.5
223.08421	3.8
226.12294	1.2
227.12926	1.2
228.10204	0.6
237.09949	2.6
238.10732	19.1
243.12521	2.9
244.13368	5.4
248.09090	0.6
252.15796	0.5
258.14990	1.2
271.12073	2.1
276.15906	2.5
277.13113	0.5
286.14401	3.9
289.13055	10.8
301.87283	0.6
304.15433	38.0
322.16498	100.0
334.33231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03823	0.5
55.05492	0.8
56.05017	0.6
58.99579	0.7
67.05493	3.8
69.03421	2.7
70.06583	2.5
72.08163	9.0
76.02228	2.1
81.07059	0.9
84.04508	1.4
86.99029	0.7
88.03968	1.0
91.05476	7.8
93.07044	9.0
95.08605	25.0
97.01140	0.7
99.04462	1.0
101.02374	4.3
102.00112	2.1
102.00703	0.6
105.00058	0.7
105.06985	1.0
109.06496	0.7
109.10161	17.8
111.08109	0.7
113.06008	0.8
118.08641	3.3
119.08583	71.5
120.08105	43.6
121.10104	0.6
122.02779	0.9
123.08060	3.0
133.16376	0.6
137.04173	3.0
137.09621	100.0
147.08044	17.4
155.05229	3.9
155.10666	11.4
165.07739	1.2
165.09108	31.6
166.08722	0.7
169.06827	0.6
171.04759	3.8
173.06306	3.9
177.05472	2.6
177.10239	21.1
178.04900	0.9
183.10187	13.1
194.04570	1.0
197.06317	2.5
197.09955	1.2
201.11212	21.2
205.09734	10.9
212.05563	1.1
213.09418	0.9
215.07379	15.2
222.09450	4.7
240.10521	14.4
258.05933	0.7
258.11511	2.8
259.10031	4.0
268.10110	2.7
276.12619	9.4
286.11063	12.8
287.09445	1.1
290.10117	0.6
304.12213	3.3
305.10510	34.0
305.13937	1.2
322.13181	82.0
337.64035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1288
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
50.79805	0.5
53.85748	0.7
56.05028	3.1
59.02724	0.9
59.68998	0.7
70.06583	4.6
72.08166	9.5
79.05499	5.9
80.05013	1.0
81.07050	0.9
82.06580	1.4
84.04516	9.3
84.07681	1.1
84.08151	21.3
85.02906	1.0
86.09710	1.6
88.10312	0.7
91.05484	1.3
93.07020	1.4
95.04978	0.9
96.08114	1.0
102.05560	1.0
108.04462	3.5
109.06525	0.8
110.06047	1.3
113.23471	0.8
116.07088	1.2
116.15200	0.7
119.04919	1.3
121.02911	3.1
121.06470	1.6
122.02699	1.1
123.04410	3.1
124.07610	6.0
126.09156	1.8
130.04962	3.0
136.07587	4.1
138.05424	0.8
138.09140	1.0
139.03934	1.6
140.04634	1.1
142.89969	0.8
145.02876	1.8
146.05988	3.0
147.04393	3.4
149.06238	0.8
152.07101	0.9
153.05475	58.7
154.08667	1.0
163.03906	1.4
164.07040	13.4
165.05452	6.5
166.04948	1.1
167.03423	1.2
177.05475	29.6
180.25873	0.9
182.08171	1.5
187.07562	1.9
193.04985	7.2
194.04436	5.5
199.07570	1.3
201.09103	5.0
205.05048	1.1
212.05470	5.6
213.09061	1.5
215.07149	1.2
215.10701	1.5
217.08636	3.2
219.10201	1.4
221.04541	1.0
225.05536	1.3
231.10159	3.1
233.11761	1.5
234.11252	12.9
240.04887	1.0
241.08598	1.8
243.06526	3.9
246.08777	1.0
248.09142	2.9
251.13904	0.9
258.06180	1.5
259.09695	2.9
261.11185	7.6
263.17664	1.4
276.07465	2.4
276.12344	1.2
278.13898	9.8
286.10666	0.9
287.09076	6.3
290.10303	4.8
294.13397	3.5
304.11871	18.5
305.18719	3.0
322.12881	100.0
322.21255	14.7
322.25024	2.3
327.17136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
62.27444	0.4
68.38760	0.5
70.06601	5.8
71.06889	0.4
71.65672	0.4
72.04520	1.1
72.08164	27.4
73.08500	0.6
77.07426	0.4
84.04488	1.7
84.05636	0.6
85.02901	0.5
89.04224	0.6
89.10799	10.1
95.06082	0.5
95.43470	0.5
95.71832	0.4
98.06037	0.9
102.05533	0.5
109.06489	0.8
110.07143	0.5
112.67073	0.4
114.09164	6.3
115.08678	2.0
115.09484	2.9
126.08605	0.5
136.02159	0.5
160.02690	0.8
160.03944	17.6
161.04694	3.6
161.07951	0.5
163.03949	0.6
164.01634	5.2
169.25995	0.4
176.88670	0.4
178.03201	1.7
187.09537	2.0
188.01660	4.8
188.03375	1.5
188.09877	2.2
189.10217	0.9
192.01154	2.1
194.04514	0.9
196.09099	0.9
204.01143	0.6
206.02696	2.0
206.08113	0.5
216.01176	1.7
218.13568	0.4
219.14571	0.5
221.15051	0.5
234.02194	100.0
258.14294	2.8
258.22906	0.5
276.15250	2.5
304.14902	1.0
305.09534	13.4
322.12192	49.4
322.15869	14.9
322.19916	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	322.0924
Annotation	RD 01A4
Peak:m/z	Relative Intensity
50.19003	0.5
56.05043	15.6
56.96570	1.7
57.32882	0.6
60.76955	0.6
68.05025	1.6
69.03425	1.5
70.06571	3.3
72.08142	3.8
73.02898	1.3
74.02435	6.0
84.04501	3.0
85.02893	4.4
97.02906	5.4
98.97566	4.0
110.97556	3.2
114.05483	5.4
114.09158	0.8
116.98586	0.8
119.08569	0.8
123.04451	0.9
128.98573	2.8
130.04988	1.6
137.05981	10.4
144.08061	1.4
147.04407	3.0
147.08023	0.9
158.99635	0.8
161.01192	0.9
163.03867	6.9
163.07533	2.9
164.54262	0.7
170.09601	1.1
175.07535	13.2
177.05458	4.1
179.03453	5.4
183.54233	1.7
187.03906	3.4
187.07466	2.6
189.01837	12.8
189.09116	1.0
191.03392	3.2
192.54887	0.8
193.05011	1.4
194.04457	1.5
201.00584	0.9
203.03384	1.5
204.10196	4.5
205.03020	1.5
205.04965	42.4
206.04436	1.1
207.02864	7.7
212.05515	3.0
213.05443	1.8
215.03426	8.2
215.07031	0.9
230.08116	3.7
231.06543	3.4
232.09700	1.4
233.04430	29.5
233.07985	1.9
234.11156	1.3
241.05005	1.6
248.09167	19.7
258.07678	22.5
259.06125	3.0
260.09222	1.7
261.07553	1.0
272.07947	1.5
276.08704	39.6
279.26257	0.8
281.08551	10.9
290.09106	18.8
301.59952	0.8
304.08206	12.9
304.22083	4.6
322.09201	100.0
322.21335	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	322.0775
Annotation	beta-Citryl-L-glutamate
Peak:m/z	Relative Intensity
50.32141	0.6
55.05543	0.8
56.05046	15.4
56.39636	0.6
57.03443	1.4
58.06607	3.1
59.07383	0.9
60.05660	0.7
60.08175	0.8
61.59135	0.6
61.82565	0.7
63.86169	0.7
68.99776	0.9
69.03452	1.1
70.06594	10.6
71.01353	1.1
72.08160	7.6
73.33669	0.7
81.03392	1.0
82.11280	0.8
84.04514	90.7
84.08175	5.8
85.02911	24.6
86.09720	5.8
87.04462	1.3
90.03809	1.1
94.61355	0.8
96.04493	1.3
98.09707	1.5
99.04459	1.2
102.05555	28.3
103.03930	0.9
111.04462	1.7
115.08749	1.0
116.07101	1.8
117.05442	1.2
120.08105	4.3
125.02384	1.0
126.05501	1.4
128.03462	1.9
128.10657	1.1
129.01859	10.7
129.10193	0.9
130.04028	1.4
130.05008	36.6
136.06203	1.4
138.01866	11.7
139.00246	1.4
144.10188	1.5
145.02872	0.9
150.05504	1.7
152.03435	6.2
154.03032	0.9
156.02939	13.6
158.09311	1.0
160.09702	1.1
160.10941	0.9
164.10669	1.1
165.09073	0.9
166.05002	28.4
172.06068	1.6
174.03983	18.5
175.11852	1.3
176.03476	16.1
177.05428	5.7
180.02898	6.5
184.06093	11.8
190.01271	1.5
193.01350	1.7
194.04492	100.0
198.03998	1.7
200.09195	4.8
202.14163	1.2
204.02959	1.8
212.05545	86.2
222.03964	15.1
226.03438	0.9
230.06357	0.8
234.11330	3.7
236.14917	14.5
240.05048	27.6
240.07474	1.1
240.12321	5.1
258.06094	50.6
258.13373	13.8
260.14871	1.1
276.07178	40.3
276.14481	4.5
286.05573	28.4
286.12888	6.4
286.15921	1.1
304.06552	20.7
304.14020	9.6
322.05429	19.4
322.08603	2.3
322.11566	1.6
322.14990	17.3
322.18607	8.0
322.21857	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	321.9933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.3
57.87998	0.3
59.43858	0.2
81.52589	0.3
84.04507	1.3
84.08165	0.4
93.45827	0.3
95.13756	0.3
98.35502	0.3
98.97599	0.7
130.05003	0.5
144.02037	0.5
145.03419	0.4
146.03656	0.7
148.06158	0.3
162.03104	0.6
166.55542	0.3
172.01508	1.3
174.03293	0.3
177.00925	2.0
182.99832	0.6
186.41879	0.3
189.02475	0.7
190.02617	3.3
190.04216	0.3
194.04388	0.5
201.00948	9.5
202.02740	0.5
204.02524	0.5
212.05556	0.7
214.02609	0.3
219.02008	100.0
233.03618	0.4
234.05205	0.7
238.95630	1.5
240.05132	0.3
242.03598	4.0
256.96631	5.9
257.96783	0.4
258.05896	0.4
262.04794	1.8
274.97729	1.4
279.98300	0.7
280.05872	0.7
280.96518	1.0
298.97687	33.7
303.98358	1.3
304.06055	0.4
307.98798	0.4
316.98920	0.4
318.95526	0.4
321.99286	12.9
322.06897	1.9
322.19647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	13-HAA
Peak:m/z	Relative Intensity
55.01881	4.3
55.05515	17.0
57.03448	4.9
57.07085	36.9
67.05513	29.8
69.07070	19.4
71.05008	5.8
71.08625	11.8
74.32096	2.7
79.05513	36.8
81.07071	39.9
83.04997	3.9
83.08627	7.1
85.06560	5.4
85.10188	86.9
86.09719	3.2
86.87527	2.6
90.01820	2.5
91.05486	63.9
93.07057	74.0
95.04987	6.8
95.08617	31.2
97.06518	5.7
97.10162	4.4
99.08072	2.9
105.07040	69.4
107.08601	29.5
109.06532	4.1
109.10146	5.9
113.08934	5.6
113.09650	71.8
116.05280	3.9
117.07015	32.9
118.04890	3.5
119.08590	60.2
121.06496	4.8
121.10137	13.1
123.08030	5.1
123.11713	5.7
129.07004	41.5
131.08588	89.8
133.06499	5.0
133.10133	100.0
135.08067	13.4
135.11685	6.2
141.07010	6.6
141.12801	6.3
142.07751	5.7
143.08545	6.3
145.10152	30.4
147.08049	11.9
147.11684	46.5
149.09616	6.9
151.11206	4.3
153.12714	3.4
155.08568	6.2
157.10127	79.6
159.11679	12.2
161.13295	3.2
163.11192	12.6
169.10191	12.6
171.11737	25.6
173.09697	11.9
173.13275	36.7
175.11191	87.6
182.92030	2.7
183.11754	11.8
187.11226	3.3
189.12679	4.4
191.14375	3.4
193.12273	49.0
197.13268	3.4
201.12781	11.3
201.16397	12.9
217.15726	3.4
219.17479	10.3
233.15187	3.2
233.59930	3.1
243.21037	5.3
254.72261	3.0
257.22644	5.3
257.26700	3.9
259.27298	4.4
267.21130	14.4
285.22156	54.7
289.17993	22.4
303.23169	71.1
321.11435	5.1
321.20782	6.5
321.24225	41.5
321.30823	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	321.2428
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
54.64945	0.5
55.01882	0.6
55.05507	2.4
57.07073	0.6
61.01643	0.5
63.43746	0.5
63.83607	0.6
67.05502	2.7
69.07060	3.7
71.04991	1.2
71.08639	1.2
75.12875	0.7
79.05492	3.0
79.52145	0.6
80.87898	0.7
81.07066	6.1
83.08614	3.3
85.06539	0.7
86.54901	0.6
91.05460	1.1
93.07044	5.3
95.08607	7.5
97.06537	1.0
97.10158	1.4
99.08057	0.6
105.07042	1.1
107.08602	4.4
109.06530	4.1
109.10165	3.3
111.08084	3.1
119.08594	3.4
121.10123	3.9
123.08071	36.2
123.11658	1.2
129.30737	0.6
131.08566	1.0
133.10149	2.6
135.08051	1.3
135.11705	0.9
137.09595	3.8
139.11220	2.2
145.10150	2.5
147.11671	1.3
149.09598	1.0
151.11198	0.9
155.85034	0.6
159.11719	2.8
161.13269	1.0
165.12718	0.8
179.14308	41.8
187.14760	0.9
193.15897	0.9
203.31152	0.7
219.17584	0.7
247.16914	1.3
265.17993	16.1
303.23190	3.3
321.24255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2427
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.01883	20.3
55.05527	17.3
57.03445	3.2
57.07087	3.6
67.05518	35.1
68.31379	1.9
69.03428	13.2
69.07072	14.7
71.04996	2.7
71.08640	33.4
79.05511	29.7
81.03400	2.1
81.07069	38.9
83.04985	9.3
83.08627	25.9
85.06524	4.0
85.10177	11.9
87.53430	1.9
91.05485	27.4
93.07053	48.6
95.04974	12.2
95.08595	29.6
97.06536	21.0
99.08121	20.4
105.07046	22.1
107.08634	28.0
108.34213	2.0
109.06542	8.6
109.10193	17.5
111.08086	39.4
113.09665	3.4
117.06987	17.7
119.08602	29.4
119.47719	2.1
121.06512	3.4
121.10152	25.8
123.08111	7.4
123.11732	2.3
125.09597	3.8
128.93607	2.0
129.06985	10.3
131.08580	29.9
133.10103	19.8
135.08075	4.4
135.11726	15.7
137.09610	12.0
139.11238	11.2
143.08583	2.5
145.10112	23.2
147.11688	12.0
149.09671	4.9
149.13269	3.1
151.11195	12.9
153.12709	2.6
155.08601	4.0
157.10127	7.6
159.11725	28.6
161.09644	3.2
161.13281	4.7
163.11150	4.9
165.12759	11.8
169.12276	8.5
171.11696	15.1
173.13245	29.7
175.11221	4.6
175.14818	9.7
183.11679	4.8
185.13286	4.8
187.14760	10.4
189.12741	4.0
189.16327	3.2
191.14317	8.8
195.13783	4.4
197.13197	3.6
201.12770	4.6
201.16422	14.3
203.14381	2.2
205.15877	3.5
211.14932	2.9
217.46764	2.1
219.14087	2.2
219.17474	11.7
239.16393	2.2
267.21042	11.0
285.22101	28.0
303.23181	100.0
321.11179	4.2
321.20352	13.6
321.24188	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	19S-HETE
Peak:m/z	Relative Intensity
67.05514	45.1
69.07082	46.5
75.57411	6.6
79.05500	13.6
81.03428	54.8
81.07064	31.5
83.05000	14.7
91.05484	53.7
92.18537	6.9
93.07052	15.2
95.04983	32.0
95.08589	7.9
105.07074	22.8
107.08612	11.1
107.09329	6.8
109.06518	23.7
109.10140	14.1
111.47255	6.1
117.07082	7.1
118.00963	6.1
119.08593	67.0
120.41867	6.7
121.10143	11.5
131.08606	7.6
133.10133	100.0
143.08591	8.8
151.11186	68.3
161.09593	57.1
162.71741	7.1
179.10641	69.1
181.64317	6.2
197.62991	6.9
200.66801	7.0
205.87561	6.4
303.20230	11.9
303.23184	98.9
321.21851	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	Cleospinol B
Peak:m/z	Relative Intensity
55.01867	9.9
55.05513	9.3
55.44923	6.6
57.03423	8.5
57.07063	6.6
67.05519	61.3
69.07064	41.1
71.08627	41.9
71.93708	6.5
74.14507	7.2
79.05510	10.3
80.52464	6.6
80.63065	6.8
81.03429	10.0
81.07059	46.4
83.04971	13.8
83.08613	8.7
83.92833	6.9
85.10173	17.0
87.44627	6.1
91.05487	37.1
93.07048	35.8
95.04958	11.9
95.08623	34.2
97.06528	13.0
99.08111	30.2
101.42143	7.0
102.12724	7.0
105.07048	15.6
107.08610	11.2
109.10143	12.1
111.08073	9.4
117.07040	15.7
119.08578	39.8
121.10170	16.2
121.19440	6.6
129.06998	17.6
131.08571	33.0
133.10118	37.6
135.11661	12.5
145.10146	57.1
147.11679	36.9
151.11218	13.5
155.08549	8.5
159.11752	13.9
161.09673	13.2
161.13200	10.8
165.12791	13.3
171.11702	44.2
173.13278	29.2
179.10678	9.1
183.11734	7.0
187.14848	14.5
189.12772	11.9
191.14420	12.9
197.13290	10.0
201.16409	12.9
205.15897	10.2
267.21130	11.2
285.22189	49.9
303.23166	86.9
321.20944	12.7
321.24356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2428
Annotation	19S-HETE
Peak:m/z	Relative Intensity
51.55221	2.0
54.95300	1.8
55.05514	3.4
57.03457	2.9
57.07057	2.7
60.09270	2.1
67.05518	28.6
69.07073	4.5
71.08279	4.5
71.08641	100.0
79.05505	21.7
81.07064	26.1
82.97500	2.3
83.04982	4.7
83.08647	3.3
85.06545	2.6
87.71228	2.2
91.05500	27.2
93.07042	28.3
95.04955	4.2
95.08613	17.4
97.06544	23.8
99.08100	52.8
105.07047	26.5
107.04993	3.8
107.08583	11.8
109.06532	2.5
109.10182	5.7
117.07015	13.1
119.08580	23.9
121.10162	20.6
126.36071	2.3
127.11190	10.4
129.06999	11.8
131.08528	20.2
133.00204	2.8
133.10098	9.9
135.11670	4.5
143.08582	4.8
143.10706	12.5
145.10167	27.1
147.11667	4.7
149.09572	4.4
149.13286	3.0
151.11209	16.4
153.12770	4.2
159.11700	13.0
161.13266	5.5
163.11224	4.9
169.10188	6.0
171.11702	67.2
173.13284	3.5
177.12752	3.0
183.11716	4.6
185.13348	3.5
187.14862	27.4
189.12715	21.7
189.16382	3.6
193.59523	2.2
197.13228	2.7
201.16429	12.4
205.15887	21.0
211.14960	4.3
219.17477	32.3
223.17017	3.0
267.21051	17.0
285.22180	27.2
303.23242	30.8
321.24188	10.8
344.37378	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	321.2427
Annotation	Cleospinol B
Peak:m/z	Relative Intensity
55.01873	6.9
55.05515	17.0
57.03429	4.2
57.07073	5.0
67.05512	35.7
69.07071	49.9
69.49738	5.4
71.08643	68.6
72.82082	4.5
79.05505	37.6
81.07068	50.4
83.05000	4.7
83.08624	7.9
85.06544	5.6
91.05489	37.6
93.07053	44.6
95.04951	9.3
95.08620	32.3
97.06557	10.2
99.08073	37.7
103.18537	4.2
105.07050	39.8
107.08596	30.4
109.10149	10.5
111.08056	7.2
117.07018	19.2
119.08589	47.9
120.39259	4.1
121.10174	34.8
123.11715	9.2
129.06998	26.2
131.08582	39.6
133.10144	38.1
135.11682	9.4
139.11182	22.5
143.08604	16.9
145.10184	52.2
147.08047	5.5
147.11684	44.5
149.09608	7.9
157.10046	6.8
159.11691	21.0
161.09648	18.1
161.13208	20.1
163.11139	5.1
163.51686	4.3
165.12730	17.3
171.11681	62.9
173.13240	19.0
175.11246	6.3
179.10715	4.7
183.11775	5.1
185.13297	7.8
187.14825	28.2
189.12764	28.8
191.14363	4.9
197.13318	7.5
201.12709	7.1
201.16472	6.9
205.15915	9.9
207.13846	25.8
257.22662	7.5
265.65305	4.9
267.21088	22.6
285.22171	64.6
303.23148	100.0
306.00198	4.3
321.20850	6.9
321.24280	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	(E,E,E)-1,7-Dihydroxy-2,5,10,14-phytatetraen-13-one
Peak:m/z	Relative Intensity
51.45503	2.1
52.03844	2.5
55.05513	12.6
57.03440	2.9
57.07067	18.3
67.05525	34.0
69.07072	21.1
71.05000	3.9
71.08633	26.4
74.63185	2.3
74.91379	2.3
78.11111	2.5
79.05493	27.5
81.03411	3.5
81.07066	42.4
83.05003	6.5
83.08628	11.3
85.02948	3.8
85.06527	5.6
85.10191	40.8
87.04482	3.1
91.05492	37.1
93.07043	27.8
95.04987	21.8
95.08599	33.6
97.06549	15.1
99.08083	6.7
105.07050	26.6
107.08593	18.9
109.06536	3.6
109.10165	34.6
113.09647	26.5
117.07000	6.7
119.08593	46.6
121.10141	17.9
123.08032	4.3
123.11662	6.8
129.07031	6.0
131.08569	29.4
133.10155	35.8
135.11670	6.7
137.09665	5.8
141.12755	5.5
145.10141	29.2
147.08075	2.8
147.11739	19.4
149.09624	3.9
149.13245	3.3
151.11162	5.4
155.10715	2.7
157.10133	23.6
159.11711	6.9
161.09598	3.4
161.13245	14.5
165.12721	34.2
169.12222	11.1
171.11674	18.5
173.13268	41.6
175.11180	23.5
183.11565	2.9
185.13312	3.7
187.14870	5.5
189.12700	12.4
191.14343	19.6
201.12794	4.0
201.16458	4.3
203.35968	3.5
205.15884	11.7
207.13803	5.8
207.17456	3.9
219.13730	2.9
219.17435	23.3
221.15366	10.4
257.22681	4.7
267.21082	5.3
285.22113	46.5
303.23154	100.0
303.67523	3.5
321.20703	5.6
321.24271	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05450	0.5
54.06829	0.4
55.05553	0.5
59.32432	0.5
60.04518	0.5
68.93822	0.5
70.06606	1.9
72.04508	2.6
72.08155	5.2
81.03425	8.2
81.07056	3.0
84.05637	10.2
98.07175	2.0
99.01504	0.5
99.07982	1.1
99.63010	0.5
102.36931	0.5
105.07024	0.7
109.79760	0.5
112.08720	0.6
113.09488	1.0
114.09177	38.4
119.08561	1.0
121.10106	0.6
126.10295	0.8
131.08578	0.5
138.05499	0.7
140.07170	0.7
141.05490	1.3
147.04425	3.0
148.11212	5.2
152.07042	0.9
160.07576	0.7
164.17859	0.7
166.05016	1.1
186.09042	0.8
197.13982	63.6
198.07771	0.8
208.14502	1.0
258.11298	2.8
293.23297	6.2
303.12723	0.7
303.21890	3.7
321.22882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06989	0.7
54.11923	0.7
54.17936	0.7
70.06596	6.5
72.04517	1.6
72.08163	7.8
78.23970	0.9
81.96884	0.9
83.08630	0.8
92.18464	1.8
112.07642	1.1
114.09182	13.7
121.10104	1.2
144.91415	0.8
149.09608	5.0
150.09163	8.8
156.11409	1.1
166.12251	3.7
167.11731	1.3
168.13858	7.3
178.12274	19.2
192.17450	0.9
219.18542	4.2
220.16975	91.9
237.19618	24.7
250.17439	0.9
251.21129	4.6
261.19537	1.2
279.20673	20.5
303.21652	1.3
321.22852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84446	0.4
55.05519	0.9
56.34435	0.5
58.06577	0.5
69.07053	0.5
70.06580	3.3
72.04511	0.7
72.08158	5.8
81.07032	0.7
83.08621	1.8
84.05621	0.8
84.08101	0.5
91.05414	0.5
92.18427	0.5
93.07028	1.0
95.08614	0.7
96.08136	1.9
97.08442	0.5
107.08582	0.8
108.03078	0.5
109.10157	0.7
112.07568	0.7
114.09171	18.2
115.08724	0.6
121.10139	2.0
131.11780	1.0
131.53664	0.5
138.09087	0.8
149.09637	5.0
149.10674	0.9
150.09145	9.7
153.80457	0.6
157.09723	0.6
164.10696	0.7
166.12279	2.3
167.11778	2.3
168.13821	7.2
170.09579	0.8
178.10721	0.8
178.12259	22.6
192.17557	1.1
209.12869	1.1
219.18665	3.6
220.16963	84.1
237.19611	21.0
238.12010	0.5
251.21103	4.2
252.72566	0.5
261.19614	1.0
279.20654	18.8
289.08731	0.6
320.87033	0.6
321.22864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04036	0.4
60.04510	0.5
70.06597	0.7
72.04520	5.1
72.08169	8.8
81.07083	0.5
84.05640	7.2
107.08578	3.2
110.07157	2.7
114.09174	44.5
126.79871	0.5
131.11816	0.5
135.08037	0.6
135.11617	0.5
138.10168	0.4
148.08698	0.6
148.11224	2.8
149.09578	0.9
150.10266	0.5
173.10696	0.6
174.10327	0.6
190.13393	11.1
194.28954	0.5
197.13988	46.6
200.15147	0.5
208.14435	2.5
213.89301	0.5
223.15535	4.3
237.17192	2.0
248.16357	3.2
275.18707	0.9
303.21808	18.1
321.22858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15668	0.9
67.20974	0.9
67.91171	0.8
70.06587	4.9
72.08150	6.5
83.08625	1.2
93.07086	1.2
98.12012	1.1
112.07653	1.1
114.09184	14.4
121.10133	1.2
138.09186	1.8
149.09613	6.1
150.09145	10.5
156.62051	0.9
157.09586	1.1
158.98848	1.2
166.12242	2.2
168.13844	6.4
178.12282	27.6
192.17610	1.2
195.14806	1.1
209.12776	1.3
212.27106	1.0
219.18542	5.2
220.16978	88.8
237.19627	22.9
251.21176	5.3
279.20651	21.5
314.48557	1.3
321.22852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00638	1.7
69.40329	1.9
72.24120	2.1
75.05285	2.1
75.32754	2.0
80.90088	2.2
95.08592	2.8
101.97079	2.4
107.08642	2.9
263.24753	2.5
291.04510	2.3
303.23303	17.6
321.11237	3.2
321.20346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30395	0.2
58.06593	0.9
60.68971	0.2
70.06593	1.6
72.08151	3.5
75.04490	0.2
84.08136	1.1
85.02890	0.2
94.06554	0.2
95.08609	0.3
96.08117	0.2
97.07622	0.5
98.06062	0.4
100.35186	0.2
114.10291	2.0
115.08672	0.3
120.08081	1.7
121.08797	0.2
122.09654	0.3
130.06490	0.3
132.08061	0.9
134.09619	1.0
135.02966	0.2
144.08101	3.2
145.02858	0.4
145.08687	0.3
145.13422	0.2
146.09651	0.8
147.04398	1.2
149.11981	0.3
150.12286	0.3
158.09656	3.2
159.10431	0.3
160.07613	0.3
160.11227	2.4
162.09105	0.2
163.03876	1.7
170.09621	4.0
171.10416	1.2
172.11221	1.0
174.09218	0.3
174.12842	0.5
176.10690	0.3
177.05460	3.9
177.11249	0.4
178.11757	0.9
182.09653	0.3
184.11241	1.5
186.09314	0.2
186.12894	0.8
187.12373	0.2
198.12790	0.4
201.13863	1.1
202.14597	1.7
213.13899	1.2
215.15353	0.3
216.13779	1.3
217.17006	7.7
222.10837	0.3
228.13712	0.2
229.16887	1.9
232.42815	0.2
234.11169	0.4
234.14906	1.2
236.15196	0.9
242.15521	0.5
245.16512	0.3
246.14854	0.4
257.13959	0.3
260.16492	2.0
264.15924	5.3
272.16455	1.1
273.19595	1.4
278.17667	0.4
285.19781	0.3
290.17535	2.5
291.20630	2.8
293.16006	0.2
303.14160	1.0
303.20520	2.5
321.15323	8.5
321.21704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.6
69.07069	0.5
71.08624	0.5
78.18678	0.6
79.05472	0.5
80.37135	0.5
81.07061	0.7
92.20176	0.5
93.07035	0.9
95.04934	0.8
95.08586	0.8
107.08620	0.6
122.29415	0.5
123.08006	0.4
131.08556	0.5
141.12738	0.6
171.11760	0.6
176.51845	0.5
193.12332	0.6
213.31253	0.5
267.52243	0.5
285.22183	0.6
289.68600	0.5
297.16632	0.5
303.22952	1.5
321.20389	100.0
326.52957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04560	0.5
67.65143	0.3
70.06602	2.5
72.08158	3.8
89.03914	0.3
89.10793	1.2
97.17086	0.3
111.47459	0.3
114.10284	2.2
115.08688	1.4
117.03365	0.8
128.11838	11.9
129.10236	3.0
145.02846	14.4
145.14487	0.6
177.05472	100.0
190.08617	1.6
247.14378	6.0
248.12831	7.8
265.15454	1.9
290.14957	0.7
290.51660	0.3
304.16571	2.6
321.19205	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00954	0.3
55.01923	0.4
56.12286	0.3
57.04594	0.4
70.06607	2.0
72.08167	5.6
74.07220	0.5
74.22396	0.3
81.07084	0.4
84.08155	0.5
85.02906	0.4
87.82144	0.3
89.03915	0.4
89.10795	1.4
97.06573	0.3
97.07628	0.3
98.06051	0.4
112.26783	0.3
114.10307	3.3
115.08715	1.4
116.07113	0.5
117.03383	0.7
120.08154	0.5
121.92119	0.3
128.11847	14.3
129.10260	3.6
136.06165	0.4
145.02855	12.4
145.14456	0.6
149.05937	0.4
160.07611	0.4
163.03862	0.4
174.09149	2.8
175.09546	1.2
177.05475	100.0
186.05484	0.4
187.07574	0.5
190.08638	1.5
203.15508	0.4
215.07047	1.7
229.13579	0.9
233.08112	0.4
247.14445	6.6
247.16928	0.8
248.12799	8.9
248.15125	0.6
265.15439	2.4
285.15979	0.5
290.15030	0.7
303.04053	0.4
303.16983	0.4
303.20071	1.3
304.16531	1.3
321.19159	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	321.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06284	0.2
53.17500	0.2
55.05503	0.3
57.04544	0.3
63.15456	0.2
70.06589	1.2
72.08158	6.7
74.07215	1.6
89.03909	0.3
89.10784	2.4
91.83795	0.2
97.07625	0.5
98.06058	0.4
101.52211	0.2
102.67741	0.2
114.10287	4.7
114.49628	0.2
115.08667	0.9
117.03382	1.3
125.64967	0.2
128.11836	18.9
129.10236	1.1
145.02844	19.7
145.14484	2.2
149.05983	0.8
163.03920	0.4
171.12462	0.5
177.05461	100.0
190.08641	0.9
238.82875	0.2
247.14381	4.4
248.12787	5.3
265.15533	1.8
279.73505	0.2
290.14999	1.4
304.16611	2.1
321.19189	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	321.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47208	5.1
52.72774	4.6
53.47006	5.6
57.07085	100.0
57.19064	5.4
72.04514	11.0
76.20387	7.3
100.07637	30.6
135.77847	7.4
137.15053	7.0
156.13829	65.3
174.90002	8.1
192.91127	32.0
215.92783	9.4
233.93750	8.9
321.16797	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	321.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85403	0.4
59.60386	0.4
60.91328	0.4
62.23965	0.4
70.06554	1.4
72.08086	21.5
80.82101	0.5
85.69050	0.4
89.03863	0.9
98.06003	0.6
114.10310	4.8
115.08643	1.8
117.03361	4.7
127.12254	1.0
128.10721	18.2
135.04399	0.8
145.02847	51.6
145.12343	0.7
145.13368	15.7
149.05923	0.8
163.03882	11.9
171.11259	0.5
177.05466	100.0
190.05029	1.9
191.03413	2.2
234.11317	2.3
248.12991	2.1
261.12421	0.9
262.10864	1.0
286.12225	0.8
303.17255	0.7
321.15555	5.6
321.18387	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99170	0.5
55.05490	3.0
60.05650	0.7
70.06573	1.2
71.74205	0.6
72.08157	24.4
73.04031	1.0
73.06513	0.8
74.22977	0.5
84.08092	0.6
84.80148	0.7
85.60693	0.6
89.03883	0.8
89.10777	0.7
92.17831	0.6
97.07618	3.6
98.06026	1.0
100.48256	0.6
100.61347	0.8
114.10292	35.1
115.08707	10.7
117.03388	0.8
128.10713	7.0
131.12878	0.8
135.04358	3.8
138.01996	0.7
140.08218	1.0
145.02873	18.9
145.13393	5.5
147.04326	3.1
157.10818	1.3
162.05385	0.9
163.03897	85.4
165.05487	0.7
177.05470	38.7
190.03424	0.7
190.04996	14.7
191.03406	21.5
209.04399	3.8
234.11307	7.3
244.07225	0.8
261.12344	9.7
262.10727	10.8
276.13474	0.9
286.11850	6.3
290.28311	0.7
293.15982	1.4
304.12912	7.1
321.15396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.156
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.78719	0.3
56.90038	0.4
68.59998	0.4
69.04541	0.9
70.06602	4.2
72.08148	2.2
79.05495	0.9
79.49578	0.4
80.08224	0.5
81.07050	2.3
83.06113	0.5
84.04504	0.6
85.72984	0.4
86.91621	0.4
96.05582	0.5
98.07157	1.7
107.04957	1.7
109.06525	2.1
110.07189	3.4
114.09119	0.6
114.10274	1.8
125.08249	10.1
126.06545	0.4
136.05052	0.8
147.06693	0.7
148.07433	10.7
149.08264	4.2
159.14929	0.5
161.08229	1.8
163.03897	5.1
164.00240	0.4
172.11226	0.6
172.35095	0.4
177.07845	0.5
190.04988	0.5
191.03409	0.6
195.08791	11.9
198.91600	0.4
207.08771	0.9
214.13333	0.5
229.14522	3.4
231.16063	0.7
239.12918	3.4
240.11232	1.0
241.14499	0.6
243.12416	2.1
257.13974	18.7
259.15494	0.9
275.15030	10.8
277.16516	3.3
303.14554	13.3
321.15570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1125
Annotation	Betulinan A
Peak:m/z	Relative Intensity
54.99627	0.6
55.05525	0.6
59.09754	0.6
59.94948	0.9
63.42255	0.6
90.35040	0.7
91.24151	0.9
91.40450	0.6
105.07020	1.6
112.76217	0.7
116.52419	0.7
131.04939	3.4
131.08501	0.8
136.25163	0.8
150.63699	0.8
165.33835	0.8
171.02959	0.8
186.21613	0.7
190.07762	1.6
203.08636	3.3
205.10098	1.7
215.08543	4.6
218.07298	6.4
218.72322	0.7
229.06432	1.6
231.08087	2.9
232.08839	4.2
233.09607	14.7
235.07570	1.5
243.08043	4.4
246.06787	3.2
247.07458	1.2
248.06174	0.8
250.09937	1.5
257.05954	1.1
259.07367	1.2
260.08279	13.6
261.09073	19.4
262.09818	1.2
263.07095	4.7
273.09067	0.8
274.06305	5.9
275.07004	3.3
275.10779	0.9
277.08679	3.9
278.09375	9.6
288.07855	4.9
289.08582	30.8
290.09360	10.0
291.06464	4.2
291.09778	0.9
293.11667	6.6
303.10052	1.1
305.07791	1.0
306.08884	17.9
321.11212	100.0
323.21918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67780	0.5
54.63213	0.4
69.69920	0.5
78.44159	0.5
84.08179	0.8
101.00892	1.0
101.14845	0.5
103.17987	0.5
119.01919	1.1
127.12287	0.6
128.43103	0.5
131.01955	0.7
133.03487	1.1
136.30135	0.5
143.01953	5.7
155.01881	3.6
157.03542	0.5
158.99657	0.6
159.01433	0.5
159.94879	0.5
161.02959	3.5
173.02945	6.6
175.04619	0.8
177.00764	0.7
177.02411	1.2
183.01379	5.5
191.95082	0.6
197.31381	0.5
201.02460	100.0
203.03951	0.5
213.02412	4.5
219.03511	94.9
231.03497	2.4
233.04996	0.7
237.04541	2.1
242.05064	0.8
249.04521	0.9
261.04556	21.6
279.05646	5.9
320.97791	4.3
321.02570	1.3
321.06610	14.3
321.13950	0.6
321.20596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.9775
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08131	1.1
84.91184	3.5
91.93295	0.8
94.92995	1.0
109.29179	0.8
164.93521	7.5
166.93515	0.7
180.96742	0.7
206.13083	0.8
232.96080	1.3
302.96786	5.2
320.97742	100.0
321.05746	3.4
321.09314	1.5
321.20941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95003	0.4
58.06609	0.9
70.06587	3.3
72.08131	2.2
73.02856	0.4
74.06693	0.4
76.73458	0.4
77.45615	0.4
84.08145	1.1
85.65479	0.5
86.09710	1.3
93.74250	0.6
96.08105	2.7
97.08450	0.9
98.09693	2.2
99.10033	0.7
99.79436	0.5
111.11395	0.5
118.47364	0.5
120.08097	0.6
121.08412	0.6
125.48943	0.5
126.12785	5.2
127.13134	2.3
127.27260	0.5
131.04840	0.5
132.08043	0.7
134.09669	0.7
135.10005	0.6
141.90443	0.5
144.08102	2.9
145.08426	2.2
148.11266	0.6
149.93253	0.5
158.09572	2.4
159.10023	4.2
170.09673	0.6
174.12744	1.1
175.13127	2.6
183.09979	0.8
184.10779	0.6
185.11613	1.1
186.12793	1.0
187.13110	2.5
189.22890	0.6
197.11566	0.7
200.12672	0.8
201.13481	1.2
202.14285	0.9
212.03595	0.6
213.14717	1.1
214.05801	1.1
227.16255	5.6
228.15758	3.1
230.17419	1.2
231.12053	0.7
245.16440	8.3
246.16823	36.3
256.18933	2.7
258.20444	9.3
259.15366	0.6
271.15207	4.0
276.21387	1.2
289.16510	0.6
302.19437	31.6
310.79318	0.6
320.20486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.201
Annotation	JWH 251
Peak:m/z	Relative Intensity
62.10785	0.7
65.21442	0.6
70.06601	9.7
79.19658	0.6
94.06563	1.1
108.08096	2.9
114.49950	0.6
120.08084	1.6
122.09682	2.8
134.09615	2.8
141.96056	0.7
146.09631	1.0
146.18495	0.6
161.09650	1.0
187.11230	1.3
202.20497	0.7
211.11182	1.1
221.09607	0.9
223.11191	1.0
235.11148	2.5
237.12750	1.2
248.11972	2.7
258.28098	0.9
263.14310	34.3
303.17065	0.8
304.16901	1.1
318.18427	1.0
320.20096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1494
Annotation	(2S)-(-)-7,8-Dimethoxyplatydesmine
Peak:m/z	Relative Intensity
54.53421	0.4
58.38867	0.4
63.63678	0.4
64.33434	0.4
67.12616	0.4
70.06586	1.0
72.08147	0.9
77.89568	0.4
84.76280	0.4
91.08601	0.5
93.07019	0.7
93.84071	0.4
117.06990	0.5
118.07765	1.8
120.08103	5.3
121.08903	4.2
126.08053	0.5
130.06538	0.5
132.05687	1.9
132.08087	2.0
134.09625	2.4
135.08101	0.7
142.65657	0.4
144.05682	0.6
144.08086	12.3
146.09631	3.6
148.07581	1.9
148.11214	1.9
149.12009	14.9
152.67719	0.5
158.09665	1.9
160.07571	7.5
162.09123	6.7
173.09242	0.8
174.09138	2.2
175.09845	0.6
176.04677	0.7
176.10698	9.9
177.11488	24.3
186.09088	0.7
186.12790	0.6
187.09532	0.8
188.07024	2.4
190.08583	0.8
192.10133	0.5
193.10957	4.2
196.11183	2.0
198.12721	0.8
202.08623	4.0
203.09421	2.5
216.12634	0.5
217.12848	0.9
219.08946	0.7
219.14703	0.6
220.15227	2.2
221.10428	10.4
222.11211	0.7
238.12143	0.6
240.13843	0.5
242.11664	3.7
246.16808	1.8
254.11734	0.7
256.13278	1.7
258.14871	0.9
258.20331	0.8
259.15262	0.5
274.14389	2.4
276.15732	0.5
295.71902	0.5
302.13895	24.3
302.19443	2.2
320.14932	100.0
320.20395	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	320.1493
Annotation	Deacetylbowdensine
Peak:m/z	Relative Intensity
50.26191	0.3
54.61781	0.3
55.05516	0.3
60.92575	0.4
69.03425	0.6
70.06590	1.6
71.91628	0.4
72.08152	2.4
78.06081	0.4
81.07068	0.4
83.04935	0.4
84.08139	0.6
85.02927	0.4
86.09701	2.3
88.03969	0.8
91.81831	0.5
93.07046	0.8
97.06517	0.5
107.08585	2.4
116.07081	1.8
118.07806	1.7
120.08123	4.6
121.08897	4.0
122.02718	5.0
130.06520	3.3
132.05782	0.7
132.08116	3.7
134.09659	2.1
135.08058	7.5
141.77785	0.4
143.04526	2.2
144.08086	11.9
146.06023	2.7
146.09671	3.9
148.07526	0.7
148.11214	2.1
149.12007	12.4
153.09134	0.7
158.09616	0.9
159.09119	0.7
160.07576	8.2
160.11183	1.7
161.08006	0.7
162.06772	0.5
162.09138	6.9
163.07579	1.4
173.09354	0.6
174.09082	1.8
175.09711	0.6
176.03369	0.5
176.10672	8.6
177.11487	22.2
181.08586	0.7
187.09639	0.7
188.07079	10.7
190.08672	0.9
192.10286	0.8
193.11003	3.3
196.11212	1.0
198.12779	1.0
199.09682	0.7
202.08597	3.7
203.09492	2.1
204.10172	0.7
205.09732	2.0
214.12292	0.9
217.13106	0.5
219.08965	0.5
221.10487	11.0
222.11169	0.8
228.13895	0.5
238.12244	0.5
242.11653	2.9
244.70369	0.4
256.13339	2.1
258.14847	0.8
266.06625	0.4
274.11798	0.7
274.14450	2.7
276.12753	0.4
284.12784	0.6
285.08862	0.6
299.65524	0.4
302.10690	1.0
302.13892	19.2
302.19260	0.8
320.14966	100.0
320.20392	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	320.1494
Annotation	Scopolamine N-oxide
Peak:m/z	Relative Intensity
55.05511	0.4
58.06594	0.2
59.58312	0.2
70.06594	2.0
71.06941	0.3
72.04506	0.5
72.08163	4.3
74.11524	0.2
81.03394	0.3
81.07027	0.3
83.04985	0.3
85.02908	0.3
86.09701	0.4
93.07027	0.2
95.08626	0.4
114.09143	3.1
115.09489	1.0
116.07130	0.3
120.08091	0.6
121.08912	1.8
127.04008	0.3
130.04970	0.6
130.97929	0.4
131.03404	0.3
132.08110	1.0
132.95851	0.4
144.08066	2.5
145.08591	0.3
146.97388	0.6
158.09720	2.0
158.97336	0.3
160.11191	0.5
163.03938	0.6
170.09665	0.4
172.07478	0.3
172.11130	0.3
173.96040	0.4
179.13739	0.3
184.11246	0.4
186.09145	2.2
186.12697	0.4
188.10634	0.3
188.98460	3.2
189.07880	1.1
189.12149	0.3
190.08611	2.5
197.13698	0.3
198.12785	0.5
200.10631	0.3
200.12939	0.4
201.13484	2.1
202.08614	0.3
205.11028	2.0
209.13969	0.4
210.14351	0.4
216.12227	0.5
226.12273	0.4
228.10208	0.4
228.13814	1.2
232.09708	4.8
232.16891	0.4
238.14052	0.3
242.11781	1.1
246.11348	0.3
246.14854	0.6
256.13379	0.6
258.14835	0.4
260.12836	0.4
274.14374	1.2
276.15991	7.6
276.18878	0.4
279.04517	0.4
292.15356	1.2
292.22095	0.6
297.05515	1.3
302.13754	1.5
302.20511	1.0
305.12595	5.0
320.14932	100.0
320.20752	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	320.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
56.05037	0.5
61.01153	0.5
70.06595	27.4
72.08150	0.7
74.00655	1.5
76.02211	0.7
84.04495	2.7
86.00636	0.6
88.11256	0.4
98.06065	0.6
100.02171	2.4
101.07134	0.5
104.05343	2.2
105.97838	5.0
114.05544	0.6
116.07090	100.0
117.57331	0.3
118.08640	0.3
123.51868	0.3
124.07611	1.6
125.07111	0.5
130.05002	6.0
131.99368	12.7
142.12323	0.3
146.06296	0.6
147.07648	6.1
149.02026	6.5
156.04803	1.8
169.89873	0.3
170.08102	1.6
171.07622	3.6
177.01498	3.8
193.27769	0.4
202.05310	1.7
205.00975	4.5
217.06477	0.3
219.08047	0.6
229.04715	2.3
232.09868	0.3
242.07205	2.0
275.05164	15.9
302.12296	0.3
320.07401	7.5
320.20383	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	319.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93694	3.9
56.30445	4.1
57.06833	5.3
57.07084	100.0
60.07249	3.7
65.88566	4.3
68.66797	4.1
71.08633	76.8
72.32117	4.1
76.71715	4.5
85.10178	46.7
89.06039	72.3
89.06921	4.5
105.81805	5.7
133.08609	7.4
151.09641	46.2
177.20824	5.0
190.22040	5.0
245.16412	5.7
319.20175	22.1
319.28271	9.5
327.03821	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	319.2636
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
51.32264	4.2
57.07069	5.8
67.05510	10.7
69.07055	6.2
80.10655	5.2
81.07063	28.8
93.07048	22.6
95.08623	12.1
105.07040	9.7
107.08593	9.8
119.08627	7.6
121.10146	21.0
131.08580	7.5
133.10092	21.8
135.11729	6.3
145.10103	8.2
147.11671	11.8
147.20134	5.8
162.31430	5.0
189.12686	5.5
203.14568	6.3
215.52332	5.3
245.22823	5.6
284.11649	5.2
287.23770	8.6
301.19107	7.6
319.20227	49.6
319.26178	100.0
319.29684	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2271
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
51.59874	4.1
55.05527	5.9
57.07075	9.9
59.75245	4.0
59.99500	4.3
66.34066	4.5
67.05504	19.9
69.07058	17.4
71.08614	4.0
79.05486	10.6
79.44070	4.5
81.07059	22.8
81.37429	4.4
83.04958	5.9
83.25196	4.7
89.06030	18.9
91.05483	17.4
93.07038	25.0
94.69402	4.7
95.04996	5.5
95.08609	23.4
97.06520	8.6
105.07034	9.7
107.04989	8.6
107.08600	27.2
109.06574	6.3
109.10168	8.2
117.07012	16.6
119.08582	32.2
121.06483	10.6
121.10149	18.4
123.08072	7.8
131.08553	10.3
133.10152	25.6
135.08072	5.3
137.09575	5.4
145.10112	17.6
147.08003	9.1
147.11726	10.5
149.09560	15.9
151.09637	5.4
157.10193	8.0
159.11725	6.6
161.09618	21.8
161.13338	4.6
163.11200	8.0
171.11742	7.5
173.13249	10.0
175.11122	5.9
175.14847	9.7
185.13284	6.2
187.14732	5.6
189.16415	4.2
199.14903	8.0
209.13493	5.0
210.82387	4.7
215.14398	5.0
217.15997	4.7
227.14207	6.4
245.16512	5.7
273.21982	5.6
283.20651	6.6
301.21609	100.0
319.19568	9.9
319.22968	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2271
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
50.84594	3.1
55.01880	3.2
55.05519	3.2
55.12299	3.2
56.69881	3.3
60.96676	3.2
67.05502	17.3
69.07065	22.0
71.08640	25.7
79.05499	6.4
81.07053	14.0
91.05483	17.5
93.07046	14.5
95.04977	6.4
95.08617	5.7
99.08099	17.5
105.07022	8.2
107.04924	3.3
107.08593	5.7
109.10144	5.2
117.07049	4.2
119.08597	34.2
121.06522	3.6
121.10181	6.4
129.07047	3.8
131.08615	6.9
133.10117	17.6
135.08063	5.1
143.08571	4.5
145.10118	5.6
147.11687	7.4
151.11172	7.5
161.09590	13.7
173.13222	4.3
177.12823	8.2
203.14406	5.7
217.15924	7.8
221.31218	4.2
235.16982	7.1
255.21214	4.1
283.20584	4.1
301.18692	5.3
301.22025	34.3
319.16409	7.2
319.19980	31.1
319.23102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2272
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
50.10520	1.5
53.50499	1.5
55.01878	1.6
55.05521	2.5
59.92215	1.6
63.34423	2.0
67.05522	11.3
69.07082	2.6
71.05013	2.9
79.05506	8.0
81.07053	13.7
83.04959	2.2
91.05482	22.5
93.07054	25.1
95.08621	10.6
97.06559	9.3
99.68195	2.0
101.99515	1.7
105.07021	17.8
107.08592	14.5
109.06541	7.2
109.10201	3.5
117.07020	8.5
119.08575	19.5
121.06539	4.2
121.10162	9.8
123.08094	21.6
129.07014	3.5
131.08609	12.4
133.10150	18.3
135.08029	17.2
137.09570	2.3
143.08582	9.7
145.06593	2.2
145.10182	10.8
147.08095	8.4
147.11720	9.4
149.09637	22.4
151.11203	2.3
157.10175	10.4
159.11671	6.7
161.09641	22.8
161.13184	2.6
163.11165	6.8
171.11681	2.9
173.13235	2.4
175.11124	3.4
175.14894	4.3
177.12808	2.3
183.11678	3.1
185.13268	8.3
197.13336	3.2
199.11215	2.4
199.14853	12.4
203.14337	2.6
209.13309	3.3
217.16039	8.8
221.15428	3.9
233.15453	4.1
245.16612	3.0
255.08907	2.1
283.17935	2.2
283.20584	13.1
301.18680	3.7
301.21722	49.9
319.22839	100.0
319.30350	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	319.2269
Annotation	Excoecarin D
Peak:m/z	Relative Intensity
55.01877	12.1
55.05508	15.7
67.05511	16.1
69.07080	6.7
71.08624	16.1
79.05495	18.1
81.03441	3.8
81.07056	21.9
83.04995	11.7
83.08621	11.4
85.06528	4.2
91.05483	23.3
93.07045	18.5
95.04957	14.6
95.08624	15.4
96.79773	3.3
97.06550	10.2
98.97552	4.2
99.04462	4.0
99.08092	16.6
105.07036	24.5
107.04986	20.1
107.08602	23.1
109.10175	5.2
111.04440	5.0
111.08082	25.6
117.07021	13.6
119.08548	24.8
121.10140	13.1
123.08052	4.6
129.07050	3.8
131.08574	17.3
133.10150	28.5
135.08093	6.8
135.11703	6.2
137.09628	4.9
143.08540	13.0
145.10115	10.9
147.11690	6.4
149.09610	4.9
151.11205	5.6
157.10107	6.1
159.11710	4.4
161.09619	13.5
161.13315	3.4
163.11183	12.5
165.12746	12.8
167.10664	4.1
169.10196	5.8
171.11670	24.8
173.13266	9.9
173.78920	3.0
175.11188	12.2
177.12708	7.0
185.13249	26.1
187.11211	3.4
187.14905	4.3
187.36661	2.9
189.12796	18.1
199.14787	4.2
200.07005	3.1
201.12769	4.5
203.14287	29.2
211.15048	3.7
216.12611	4.6
217.15895	11.4
235.16978	6.5
245.16344	3.8
255.21045	4.8
283.20483	25.2
301.21735	62.3
319.19763	16.1
319.22910	100.0
328.54666	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	319.2269
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
52.92740	4.7
53.34719	5.4
55.05528	11.9
57.07071	12.7
66.29617	5.6
67.05511	13.3
69.07065	34.4
79.05485	43.4
81.06635	7.8
81.07066	66.1
83.08626	10.9
91.05483	35.8
93.07060	43.2
95.08616	88.5
97.06525	27.0
105.07044	75.1
106.60111	5.5
107.08603	72.0
109.10160	77.1
117.07021	37.3
119.08585	100.0
121.06512	6.6
121.10149	83.1
123.07997	5.3
123.11719	49.0
129.07021	8.7
131.08604	66.4
133.10158	48.6
135.08022	48.0
135.11697	30.4
137.13338	10.0
137.81393	5.9
143.08574	37.9
145.10126	90.8
147.11685	30.3
149.09602	22.7
149.13222	24.4
157.10158	45.8
159.11722	67.2
161.13258	30.8
163.14832	9.3
171.11690	44.4
173.13295	32.3
175.14868	23.3
177.16396	99.4
185.13252	35.6
187.14836	21.0
199.14793	58.0
203.14313	9.9
213.16441	12.8
227.14276	6.7
255.21074	73.3
283.20667	7.6
301.21671	35.1
319.22797	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2268
Annotation	Agallochin H
Peak:m/z	Relative Intensity
55.05516	1.1
55.50763	0.6
58.33606	0.7
67.05509	2.8
69.03420	1.6
69.07073	4.1
71.04992	0.9
79.05473	1.2
81.07060	7.4
83.04999	0.9
83.08632	1.7
85.13915	0.7
89.35671	0.8
90.18202	0.7
91.05479	1.6
93.07056	5.9
95.04935	1.7
95.08617	13.4
105.07046	6.4
107.04956	1.7
107.08590	8.3
109.06503	1.0
109.10165	12.1
111.04445	0.7
113.09647	1.7
117.07050	1.2
119.08594	6.8
121.06485	0.9
121.10162	7.9
123.08082	8.3
123.11710	7.5
125.46172	0.6
127.03912	3.2
131.08575	5.5
133.10156	7.3
135.08101	1.1
135.11703	3.5
137.09593	0.9
137.13297	3.0
143.08556	3.1
145.10156	5.5
147.08023	0.9
147.11678	4.8
149.05949	0.8
149.09621	6.9
155.08540	0.7
157.10136	4.1
159.11674	5.0
161.09634	5.9
161.13246	3.2
162.89325	0.8
163.11163	1.3
169.10139	1.1
171.11700	5.2
173.09648	1.4
173.13269	1.6
175.11179	1.3
175.14781	1.2
177.09175	0.9
177.12878	0.8
177.16405	4.3
179.10660	5.7
185.13303	3.2
187.11235	1.2
187.14784	1.2
189.12807	3.0
191.10867	0.7
199.14786	1.6
201.12704	0.9
201.16394	1.0
209.13382	1.0
209.67239	0.7
213.12613	1.2
213.16284	0.9
215.14326	1.7
217.15964	0.9
225.16362	0.9
227.14502	1.3
229.15950	0.9
231.13866	2.7
233.15358	1.3
241.19542	1.5
255.21066	3.2
265.19565	1.0
271.20575	1.4
283.20599	5.4
289.21603	4.4
301.21671	20.1
319.19864	4.2
319.22726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98174	0.4
54.35950	0.4
55.05522	0.7
60.04524	0.8
61.57434	0.4
65.13503	0.5
67.40312	0.4
67.50027	0.4
70.06606	8.7
71.03957	0.4
71.81906	0.5
72.04521	4.7
72.07759	0.7
72.08160	13.9
79.05487	0.7
81.07066	2.7
83.11556	0.4
84.08166	0.9
96.05628	3.2
98.07190	2.1
105.07053	0.9
109.06554	3.7
110.07172	0.9
112.07620	3.8
114.09173	34.2
116.26960	0.5
120.08115	0.8
122.07179	0.7
125.05934	0.6
126.06710	0.6
126.12827	0.6
130.06558	0.6
132.08121	2.6
132.95886	0.9
136.05190	0.5
139.07526	0.7
144.08142	0.8
146.09653	2.6
150.10318	1.2
150.96988	0.8
153.09044	0.8
158.09709	1.0
163.03905	0.9
167.12875	3.4
168.11279	1.0
176.11795	0.8
178.09785	5.0
178.13390	2.6
182.09270	1.0
186.08986	0.6
188.01636	2.4
188.11865	6.6
188.80669	0.5
195.12437	3.8
197.14020	3.5
202.09865	0.7
203.10118	1.2
206.12930	5.4
209.13977	11.8
211.15581	2.5
214.03078	0.8
218.12500	0.9
223.15555	0.9
232.00795	0.7
235.15654	3.0
237.13429	7.5
238.14337	3.4
239.08360	0.5
245.16591	3.3
247.15579	2.5
257.20126	0.8
258.02127	1.2
277.02701	0.8
290.21161	2.3
291.21866	7.8
301.19803	6.1
302.01208	2.0
308.46335	0.5
319.03967	2.1
319.21323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
67.05487	1.6
70.06612	10.1
71.04984	1.0
72.04528	4.7
72.08170	25.7
73.08481	1.1
74.06110	1.7
81.07065	4.3
84.04520	2.1
84.08170	1.6
86.09682	1.0
95.08636	1.3
96.74325	0.9
98.06103	1.7
109.06516	1.4
109.10215	1.6
112.07623	1.7
114.09182	37.6
114.09950	1.6
122.07198	1.6
125.05997	0.9
126.12823	1.5
130.05017	1.2
144.08066	6.7
146.09608	1.7
160.07616	2.0
167.12924	1.5
172.13412	1.1
178.09723	1.4
178.13474	2.3
186.09224	1.3
188.11884	4.6
190.14435	1.5
195.12494	4.2
196.11418	3.6
197.13939	1.6
200.13110	24.6
201.13954	1.4
202.12700	1.4
205.55724	1.1
206.09367	4.7
206.12975	4.6
209.13953	6.8
211.15607	2.4
216.12677	1.9
235.15575	2.4
237.13504	5.6
238.14275	2.4
244.13435	1.1
247.15544	1.3
260.14090	1.9
290.21115	1.3
291.21936	5.3
301.20102	5.1
319.17456	13.9
319.21231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65582	0.3
52.81168	0.4
55.51833	0.4
58.06588	1.1
58.84204	0.4
70.06591	4.3
72.08155	3.4
82.06579	0.5
84.08161	1.6
86.09697	2.1
95.08589	0.8
95.40196	0.4
96.08129	3.8
97.02852	0.6
98.09676	3.1
109.02853	0.6
110.07178	0.4
116.07121	0.4
120.08073	1.9
124.11212	0.5
126.12791	7.3
130.06499	0.9
132.08081	1.8
134.09612	2.6
144.08102	5.8
146.09636	1.0
146.21301	0.5
148.11182	0.9
157.08826	0.6
158.09627	8.3
170.09631	2.1
170.11736	1.0
172.11176	1.9
174.12839	3.3
178.05098	0.5
182.09541	0.9
184.11269	3.1
186.12816	3.8
196.11320	0.7
197.05920	1.6
197.12048	0.9
199.12267	2.5
200.12923	0.8
201.13792	0.6
209.86562	0.5
211.13550	0.6
212.14250	2.1
213.03796	0.5
213.13835	1.8
215.07022	0.5
217.16989	1.0
218.15369	0.8
226.15852	6.6
227.15387	3.5
229.13345	0.8
229.16916	1.0
230.11658	0.7
244.13239	1.0
245.16469	33.3
255.18456	2.0
257.20126	11.0
258.14783	0.6
270.14908	4.6
275.21219	2.4
301.19089	31.5
304.08807	0.8
319.16769	4.5
319.20132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2019
Annotation	Huperzine G
Peak:m/z	Relative Intensity
53.00344	0.6
53.27708	0.5
55.05525	0.9
58.06609	0.6
58.39107	0.6
60.01170	0.7
70.06586	3.6
71.57450	0.6
72.08123	2.9
84.08134	1.5
86.09701	1.2
91.05489	0.9
95.08597	0.8
96.08105	3.4
98.09682	2.8
120.08095	1.1
124.27663	0.8
126.12798	6.7
130.06506	0.8
134.09622	1.3
138.99370	0.7
144.08124	5.3
146.09663	1.3
153.11105	1.0
158.09665	5.2
160.07564	4.2
170.09627	1.0
170.11806	1.0
171.10422	0.7
172.11189	1.1
173.08540	0.8
174.09164	1.2
174.12755	3.5
182.09731	0.8
184.11246	1.5
186.09142	3.5
186.12810	3.2
188.10797	0.9
196.11235	0.8
197.12029	1.0
199.12376	1.0
204.12585	0.8
212.14406	1.0
213.13890	0.9
216.12491	4.8
219.14954	2.9
226.15950	4.8
227.15311	1.5
229.17061	3.0
233.48775	0.8
244.13297	1.2
245.16498	23.5
255.18459	1.3
257.20129	10.9
258.15012	1.5
270.14920	2.8
275.21274	2.7
289.19049	1.6
301.19104	25.4
319.20200	100.0
324.59744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2021
Annotation	Huperzine G
Peak:m/z	Relative Intensity
50.37626	0.3
58.06607	0.5
79.31643	0.3
92.18457	0.4
99.67056	0.4
114.09177	0.7
148.07581	0.5
160.07576	28.0
161.08337	0.6
170.09692	0.6
173.08394	2.7
174.09152	3.4
186.09146	68.1
187.09933	32.2
201.10106	0.5
203.09261	1.0
204.12546	0.8
214.12193	0.4
216.12584	18.5
217.13370	4.2
218.14146	34.8
244.13388	1.9
258.14853	2.6
267.44119	0.5
319.20178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97125	0.5
54.67175	0.4
56.05016	0.5
58.06591	0.9
64.79735	0.5
70.06571	3.2
72.08176	4.0
84.08138	1.3
86.09686	2.4
96.08114	2.9
98.09668	2.8
114.09170	2.6
115.32659	0.5
120.08088	0.9
126.12792	5.3
132.08105	0.6
134.09634	1.0
144.08038	4.4
146.09692	1.0
147.04407	4.2
148.11195	2.0
153.11142	1.1
158.09656	7.1
160.07555	4.1
170.09622	1.1
170.11732	0.8
171.10536	0.9
172.11148	0.6
173.08305	0.8
174.09093	0.8
174.12759	2.6
176.06984	0.7
176.10675	0.7
182.09651	0.8
184.11195	1.1
186.09140	4.9
186.12766	3.1
187.09882	2.3
189.05429	1.0
193.04526	0.8
197.11961	0.7
199.12291	0.9
201.13860	1.2
212.14325	2.2
213.13910	1.2
216.12645	4.4
217.13333	0.7
217.16920	0.7
218.15579	0.8
226.15895	4.6
227.15335	1.9
229.16893	2.0
235.17882	0.7
244.13287	1.0
245.16458	20.1
255.12407	9.0
255.18451	1.0
257.20099	9.1
258.14767	1.3
270.14816	2.3
275.21246	1.1
283.11896	3.7
288.16025	0.7
301.12811	2.6
301.19083	21.6
319.13931	6.1
319.20178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28026	0.3
58.06607	0.5
60.17448	0.3
70.06598	3.2
72.08163	5.4
79.96841	0.3
82.77718	0.3
83.04910	0.3
84.08165	2.6
86.09696	2.2
87.07989	0.4
95.08598	0.7
96.08134	2.8
98.06065	0.4
98.09706	2.9
120.08109	2.2
124.11234	0.5
126.12794	6.6
130.06560	0.4
130.08661	0.3
132.08130	0.6
134.09669	3.3
135.08084	0.7
144.08093	3.8
144.16069	0.4
146.09596	1.5
147.84514	0.3
148.11232	1.2
157.08835	0.4
158.09647	6.9
160.07581	0.5
170.09645	1.9
170.11737	1.3
171.10434	0.4
172.11200	2.2
173.10800	0.5
174.12764	2.6
177.05334	0.4
182.09662	0.8
183.10382	0.6
184.11234	1.9
186.12808	3.0
188.10669	0.5
196.11249	1.3
197.12003	2.0
199.12334	2.0
201.13913	1.8
202.14677	0.4
203.03470	0.6
211.13577	0.5
212.14346	1.8
213.13803	1.3
214.12311	0.4
217.01485	0.3
217.16983	0.6
218.14105	0.6
219.14906	4.6
220.80933	0.3
224.14377	0.5
226.15933	5.6
227.15392	3.0
229.09297	0.4
229.17104	2.5
230.11853	0.5
231.02866	2.2
234.13405	0.4
244.13269	0.6
244.17014	0.3
245.16490	18.4
249.03958	0.7
250.13242	0.3
255.18561	2.0
257.20111	10.2
258.14914	1.9
259.17569	0.5
270.14896	3.9
271.14542	0.4
275.21161	2.2
283.17972	0.4
286.16702	0.4
299.17688	0.4
301.19113	34.0
319.12631	3.2
319.20166	100.0
326.20560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2014
Annotation	Huperzine G
Peak:m/z	Relative Intensity
55.94054	0.4
57.07059	2.9
58.06322	0.5
58.06604	9.2
58.07776	0.4
59.07385	3.4
60.07880	0.8
60.08170	19.5
63.12561	0.4
67.05489	0.8
67.29612	0.4
76.09528	0.4
81.07062	0.8
81.93722	0.5
82.06573	3.0
84.08144	11.1
91.05483	5.8
95.08585	0.8
97.06492	0.6
103.05477	10.9
105.06396	0.5
105.07040	11.5
107.08625	0.8
110.06041	3.7
114.01850	0.5
117.07000	2.5
121.06499	0.6
121.10127	0.7
128.07068	8.5
130.06508	0.9
131.04930	37.1
131.08575	0.7
133.06508	0.5
133.10103	1.8
135.11665	0.6
138.05530	1.6
141.64345	0.5
144.08110	0.6
145.10117	0.8
147.11742	0.8
148.11206	6.7
156.06538	0.9
157.10141	0.8
163.13525	1.0
170.09599	0.7
172.11230	1.0
176.07066	1.6
186.12787	3.2
198.12779	1.7
214.12215	2.2
218.08011	2.1
218.11728	2.3
251.29097	0.5
260.12741	1.6
273.19608	11.0
273.22202	0.8
280.90921	0.5
301.18967	1.8
319.20114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96403	0.3
53.99265	0.2
54.12174	0.3
70.06556	1.4
72.08157	5.5
81.97243	0.3
84.08123	0.4
85.02889	0.4
88.74809	0.3
95.74850	0.3
97.07598	1.5
105.07045	0.3
105.47300	0.3
109.10130	0.3
114.10288	2.5
115.01685	0.3
120.08063	0.4
121.02874	0.7
122.03182	0.7
130.04953	0.5
130.06456	0.4
132.08057	1.4
139.03889	0.8
140.04285	1.1
144.08086	21.5
146.09621	1.9
147.05511	1.6
157.08875	6.1
158.09637	5.9
159.10493	0.4
160.11172	0.5
163.03889	3.4
165.05415	0.4
170.09651	2.2
171.10431	1.6
172.01619	0.3
172.07620	0.4
174.09152	0.5
181.08823	0.4
182.09573	0.5
185.10699	4.1
187.09908	3.7
187.12300	1.6
188.08141	0.5
188.13112	4.8
189.06587	0.7
190.14549	0.5
194.09700	0.6
196.11227	7.2
197.10738	1.8
199.12297	2.7
200.13083	86.2
201.13824	5.1
207.10393	1.9
210.12804	0.4
211.12265	1.5
214.12256	2.3
218.14178	2.4
222.12766	4.6
225.13878	0.4
226.12201	0.5
234.11246	0.5
240.13844	5.7
244.13293	5.8
245.16330	0.4
258.14893	9.2
260.13956	0.3
265.16815	0.5
283.18112	1.3
285.13544	1.2
287.04660	0.4
289.19180	1.5
301.11752	0.4
301.19153	6.8
302.16086	0.4
319.20200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2019
Annotation	Huperzine G
Peak:m/z	Relative Intensity
53.26126	0.4
58.06590	0.5
70.06589	3.2
72.08138	0.9
84.08120	1.5
86.09690	2.2
93.66156	0.3
95.08601	0.4
96.08124	4.8
98.09682	1.8
112.11343	0.4
116.07071	0.4
118.06527	0.4
120.08121	1.3
122.09710	0.5
124.11261	0.5
125.76638	0.3
126.12800	6.8
129.10188	0.5
130.06541	0.5
134.09669	2.8
142.08652	0.5
144.08080	4.1
145.08913	0.4
146.09637	0.6
148.11205	0.8
152.37589	0.4
155.88310	0.3
157.08846	0.5
158.09645	8.6
170.09657	2.0
170.11769	0.8
171.10475	0.5
172.11182	1.6
174.12779	6.1
182.09583	0.6
184.11238	2.3
186.12857	3.0
187.12422	0.5
196.11263	1.6
197.12094	0.9
199.12303	2.3
200.13107	0.7
201.13821	1.9
202.12126	0.4
202.14693	0.6
212.14363	2.8
213.13887	1.6
217.17085	0.7
224.14540	0.5
226.15903	5.7
227.15428	2.8
229.17133	2.6
230.11757	0.5
244.13361	0.7
244.17072	0.5
245.16476	38.3
255.18587	2.2
257.20081	8.8
258.15027	0.5
270.14911	3.4
275.21249	3.0
289.53787	0.4
301.19107	27.8
319.20163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	0.4
70.06578	2.1
72.08138	1.6
84.08131	0.5
86.09702	0.8
96.08118	2.3
100.04322	0.5
120.08102	0.7
123.04424	0.4
126.12804	2.2
132.08075	0.5
134.09647	1.6
144.08092	4.4
146.09602	0.6
148.11145	0.4
158.09628	6.3
160.11162	3.1
170.09639	4.8
170.11708	0.7
171.10419	1.5
172.11247	0.6
174.12799	1.9
176.07127	1.5
182.09702	0.4
184.11237	0.9
185.10667	0.4
185.67967	0.4
186.12833	1.9
188.10744	0.9
196.11240	0.7
199.12370	0.6
200.13005	0.8
201.13895	0.7
202.08632	2.1
202.12109	0.5
202.14645	2.4
212.14334	0.6
213.13922	0.8
217.17023	7.1
218.15440	1.6
226.15909	2.5
227.15317	1.5
230.11755	0.4
234.13640	2.5
245.16489	21.9
255.18558	0.5
257.20105	5.7
262.14377	2.9
270.14868	2.1
275.21246	0.8
288.15848	1.6
294.62784	0.5
301.15857	0.4
301.19141	11.8
319.20169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28698	0.6
58.06591	4.4
63.51186	0.7
68.94708	0.9
70.06591	3.9
71.00221	0.7
84.08128	1.1
86.09680	1.4
90.59966	0.9
92.18509	0.9
96.08112	4.5
98.09701	1.2
100.11234	1.2
108.11490	0.8
120.08102	1.7
126.12801	6.0
134.09645	1.4
144.08063	3.9
145.84720	0.9
158.09637	6.6
170.09587	1.2
170.11732	1.4
174.12778	5.1
184.11201	1.7
186.12753	3.3
197.11992	1.1
199.12309	1.4
201.13742	1.1
203.09435	1.3
212.14404	1.8
213.13904	0.9
226.15886	6.2
227.15381	4.1
229.16876	1.5
244.13197	0.9
245.16487	36.8
255.18544	1.0
257.20181	9.5
259.12057	12.6
270.14902	1.6
275.21060	1.4
276.12830	0.9
277.05765	0.8
277.13211	10.5
301.15747	1.2
301.19110	32.3
319.07965	7.2
319.14624	9.7
319.20142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96246	0.5
55.05523	0.4
56.25961	0.4
57.02529	0.4
58.06590	0.8
60.56782	0.4
68.18701	0.4
72.04536	0.5
72.08170	3.5
98.09698	0.9
98.97606	0.5
103.82858	0.5
114.09177	2.8
144.08121	0.6
148.07553	1.9
151.03825	0.5
156.78268	0.5
160.07582	20.4
161.08339	1.0
163.03973	0.9
173.08377	6.9
174.09134	7.0
185.04771	0.5
186.09146	38.5
187.09953	18.7
201.10231	2.4
203.09470	2.2
204.12605	2.8
214.12299	1.1
215.11722	0.9
216.12587	41.3
217.13403	4.5
218.14162	18.9
229.34492	0.5
231.02921	1.0
232.13326	1.0
234.13606	0.9
244.13400	5.1
245.16394	1.2
258.14908	7.0
261.08960	0.5
286.16693	0.6
289.19229	1.2
301.19107	2.9
319.20197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71472	0.3
58.06608	4.7
67.05457	0.4
67.80450	0.3
69.65804	0.3
70.06570	0.6
73.49707	0.3
77.88241	0.3
79.05507	0.3
81.07063	0.3
91.05470	0.6
92.17870	0.4
93.07037	1.4
95.08620	0.4
96.04492	0.6
105.06397	0.4
105.07040	9.9
114.55997	0.3
119.04905	0.6
120.08118	3.5
121.08887	3.7
122.09680	3.6
132.08099	0.4
134.09656	6.5
142.48524	0.3
143.07301	0.4
144.08058	2.2
146.09610	1.5
152.10710	2.3
157.08830	1.8
158.09637	4.9
159.06747	1.3
160.07570	0.8
162.09164	3.6
170.09677	2.6
171.10352	0.9
172.07684	0.4
172.11223	3.4
173.08345	1.4
174.09166	2.2
180.10133	0.5
182.09666	0.7
184.11226	0.6
186.09042	0.7
186.12770	0.5
188.10753	0.5
196.11206	0.5
197.11961	1.3
198.09085	0.8
198.12773	0.8
200.10783	1.1
212.10809	2.9
212.14343	2.3
215.11801	9.3
217.13379	0.7
218.14218	2.7
219.14928	1.6
225.10242	0.8
227.11731	2.8
229.13300	0.5
240.13930	2.8
244.52599	0.4
258.14847	2.0
268.15747	0.4
283.18015	1.5
288.15942	1.4
301.19119	75.5
319.20175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2017
Annotation	Secoisoodorinol
Peak:m/z	Relative Intensity
58.06612	4.4
63.10659	0.3
63.24299	0.3
68.26774	0.3
70.06583	0.6
72.08147	0.6
79.05502	0.4
81.07040	0.4
82.52523	0.3
91.03010	0.3
91.05473	1.2
92.17803	0.3
93.07042	0.7
94.36171	0.3
95.04942	0.4
95.08580	1.4
96.04472	0.5
105.07035	10.9
109.06477	0.4
114.10284	0.3
119.04946	1.0
120.08092	3.9
121.06448	0.4
121.08894	3.9
122.06019	0.4
122.09673	2.7
123.08040	0.7
132.08040	0.5
134.09660	9.2
144.08092	4.9
146.06020	1.5
146.09637	2.7
150.09106	0.5
152.10750	2.2
157.08850	2.7
158.09647	5.0
159.06767	1.2
160.07574	2.0
160.11249	0.3
162.09157	4.3
170.09692	2.7
171.10419	0.4
172.07509	2.1
172.11198	4.1
173.08348	1.8
174.09148	3.4
176.07080	2.1
180.10194	1.3
182.09683	0.6
183.10371	0.4
184.07591	0.4
184.11221	1.8
186.09087	1.2
186.12801	1.4
188.10716	1.3
190.08644	1.2
196.11205	0.6
197.12082	0.4
198.09161	0.6
198.12750	0.6
200.10721	1.2
203.09404	2.7
203.11494	0.5
204.12469	0.3
212.10744	2.4
212.14345	1.6
213.10017	0.5
215.11797	11.2
217.13475	0.5
218.14145	2.3
219.14926	2.0
222.12808	0.4
224.14465	0.6
225.10258	1.1
227.11748	2.7
228.13799	1.7
230.15370	0.4
234.13632	1.9
240.13828	2.6
245.16579	0.6
258.14902	1.8
268.15634	0.6
275.15088	3.5
281.71057	0.4
283.18124	1.4
284.66830	0.3
288.15939	0.4
301.19107	95.3
319.20163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2018
Annotation	Huperzine G
Peak:m/z	Relative Intensity
58.06593	0.6
60.15875	0.3
66.92534	0.3
70.06602	3.4
72.08142	2.0
77.53578	0.3
78.84234	0.3
84.08144	1.7
84.10269	0.3
86.09720	2.1
95.08598	0.6
96.08134	3.3
98.09694	3.2
100.05403	0.3
110.09678	0.3
112.11281	0.3
120.08080	1.2
122.09647	0.3
124.11226	0.7
126.12783	9.2
130.08531	0.3
132.08099	1.5
134.09639	3.2
142.08609	0.3
144.08080	5.1
146.09639	1.3
148.11232	2.0
157.08902	0.6
158.09645	9.4
169.08882	0.3
170.09692	2.2
170.11810	1.4
171.10320	0.3
172.11212	2.9
174.12801	2.1
182.09628	1.3
183.10434	0.5
184.11226	2.5
185.10681	0.4
186.12769	3.8
188.10751	0.4
196.11189	1.4
197.11983	1.1
198.12915	0.4
199.12299	2.5
200.13080	1.4
201.13814	1.7
202.14545	0.4
203.03297	0.4
212.14267	3.2
213.13905	2.1
214.15926	1.3
217.17014	0.7
224.14557	0.4
226.15878	6.4
227.15501	3.1
229.16983	2.5
230.11736	0.7
242.17731	0.6
244.13348	0.5
245.14001	0.7
245.16486	20.6
255.18585	1.9
257.20126	13.6
258.14917	1.7
270.14914	3.5
275.21149	2.7
283.18304	0.4
288.15854	0.4
299.17572	0.4
301.19098	35.4
319.20160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Flustramine C
Peak:m/z	Relative Intensity
58.06616	16.1
73.52716	2.1
79.08003	2.1
83.06814	2.0
96.21776	2.0
100.11236	2.9
116.26115	2.2
118.80126	2.3
121.01674	3.3
140.38123	2.1
156.05910	2.7
174.06628	2.7
203.09413	3.6
223.02769	2.8
237.02567	2.3
259.05118	3.4
259.12091	45.0
277.06143	3.8
277.13153	30.7
301.19150	2.3
319.07928	100.0
319.14041	32.9
319.20047	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	319.1653
Annotation	Phomamide
Peak:m/z	Relative Intensity
54.78473	0.5
55.05511	0.4
56.05055	0.5
58.06599	0.8
58.92429	0.4
70.06619	3.4
70.06960	0.5
72.08158	1.9
79.05519	0.5
80.05024	2.0
81.03399	0.6
81.05806	0.7
81.07079	0.5
82.06588	12.0
82.60702	0.4
82.79025	0.5
84.08152	17.6
85.07583	0.5
86.09722	1.7
94.06579	0.7
96.08137	2.2
97.06556	0.5
106.06554	4.1
107.04966	1.9
108.08149	7.1
109.02882	0.6
110.06058	0.9
120.08112	1.9
123.09174	0.7
124.07595	3.5
124.10026	0.6
126.11395	0.6
126.12799	1.0
133.06500	0.7
135.76747	0.4
136.07614	0.6
138.05699	0.5
138.09209	0.5
144.08101	0.8
145.06467	1.0
153.10217	0.9
158.09644	1.0
160.07584	3.1
165.05499	0.7
170.09663	0.6
174.09198	0.9
174.13039	0.6
176.07036	2.1
176.10764	0.7
178.08644	0.7
186.09183	0.7
190.08626	8.8
193.05023	0.5
193.07327	0.7
194.08151	1.2
197.05977	3.0
198.09280	0.7
202.10973	0.6
204.06604	0.6
204.10210	2.7
204.12617	1.1
206.06390	0.8
206.08139	11.7
206.11662	0.6
208.09718	0.9
213.03914	0.7
213.13960	1.1
214.08669	2.5
214.12328	0.9
215.07094	1.2
216.10204	2.7
216.12413	0.7
219.14952	1.1
222.07626	0.7
222.11249	9.4
223.12302	1.0
226.15897	0.8
230.11754	2.1
232.09676	11.6
233.16548	0.9
241.13362	2.1
243.11424	0.7
244.09613	2.4
245.16495	5.5
246.11324	0.7
251.11803	2.9
252.12538	0.9
255.14880	2.7
257.20151	2.0
258.11218	2.6
259.14520	4.0
268.12100	3.2
269.12842	1.0
272.12787	2.9
273.13095	0.6
273.15964	6.4
276.12302	1.0
283.14447	8.9
283.17496	0.8
286.13196	0.6
287.14001	0.6
289.19025	0.9
301.15500	14.9
301.19098	8.7
304.08896	1.1
319.16531	100.0
319.20203	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3005
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
50.17206	0.4
53.26276	0.4
56.05047	8.1
57.07080	5.4
58.06604	5.8
58.99428	0.4
59.97557	0.4
60.04301	0.3
60.04533	5.6
67.13303	0.4
68.04993	0.6
68.76016	0.4
71.08620	2.9
74.06080	10.0
85.10163	2.7
86.06052	2.3
88.07639	17.8
103.67361	0.5
104.07100	0.8
113.21280	0.5
116.27414	0.6
118.08659	7.1
122.08147	8.2
126.69012	0.4
137.43637	0.5
256.26395	0.9
270.27905	53.8
300.28906	3.8
312.71548	0.5
318.30038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48339	1.6
56.05028	10.3
57.07074	3.6
58.06597	7.0
60.04519	3.3
71.08630	1.8
74.06089	12.5
82.08157	1.8
85.10180	2.3
88.07630	14.8
118.08610	5.5
122.08137	6.3
133.18866	1.5
256.26248	1.8
270.27924	53.5
300.28900	3.0
318.30020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95113	0.5
56.05048	7.5
57.07081	4.9
58.06615	5.9
60.04258	0.7
60.04535	16.8
60.05011	0.7
68.05026	0.6
71.08620	3.6
72.57907	0.5
74.06086	9.5
82.32510	0.6
85.10179	2.3
86.06065	0.8
88.07634	14.5
95.08582	0.6
103.81789	0.6
113.79533	0.5
118.08663	6.9
122.08141	7.8
190.85260	0.6
211.54845	0.5
219.02296	0.6
252.26765	0.7
254.01431	0.6
256.26419	0.9
264.26874	0.8
270.27924	41.3
282.27823	3.0
300.29053	4.7
304.85797	0.6
318.30045	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	318.3004
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
50.54705	0.4
50.58792	0.4
50.91922	0.4
51.62671	0.4
55.37663	0.4
56.01278	0.4
56.76450	0.4
57.07087	4.8
60.18370	0.5
66.86625	0.5
67.70028	0.6
67.77449	0.4
70.06593	8.5
71.08624	3.0
85.10200	0.5
88.07102	0.9
88.07634	22.3
92.17785	0.5
102.09191	14.6
104.76707	0.5
110.08829	0.4
132.10210	0.9
146.11769	0.7
150.11305	0.7
177.19743	0.5
212.23811	0.9
256.26349	69.4
300.29147	3.6
318.30048	100.0
325.12540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41979	0.4
57.07082	4.4
70.06602	8.5
71.08622	3.1
72.36271	0.4
72.87787	0.4
72.89986	0.5
78.76353	0.4
85.10171	0.7
88.07639	24.6
102.09189	14.8
146.11731	0.8
150.11246	1.1
212.23683	0.7
238.25337	0.7
256.26346	73.3
300.29037	5.2
316.59998	0.5
318.30042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2404
Annotation	Drofenine
Peak:m/z	Relative Intensity
57.07061	1.0
57.44407	0.9
70.06574	1.0
85.92208	1.0
86.47887	0.9
92.18501	1.1
101.06003	1.7
101.66077	1.0
121.49381	1.0
130.11276	0.9
137.05891	1.1
195.27972	1.1
208.19012	1.0
227.72934	1.1
318.24033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60112	0.4
55.05521	5.4
56.05044	2.2
57.05827	0.5
58.06615	2.1
66.65006	0.4
70.06596	2.0
72.08161	100.0
74.06087	41.1
78.84875	0.4
84.04519	1.0
84.08160	0.7
101.07143	0.6
110.90800	0.5
111.09229	2.5
115.66915	0.4
118.08662	11.9
121.02879	1.9
127.12343	0.7
128.10724	26.3
129.21094	0.5
133.75044	0.5
137.09686	0.5
138.09151	6.3
139.03928	3.8
141.06833	0.5
155.11803	5.3
158.08305	0.5
163.03877	0.5
173.12865	39.8
183.11325	6.2
195.97025	0.5
200.12846	0.6
201.12344	61.4
205.92386	0.5
218.99054	0.4
219.13394	30.0
229.11929	0.8
282.18204	1.6
300.19107	7.5
318.14740	1.0
318.17725	1.0
318.20859	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	318.2024
Annotation	Val Thr Val
Peak:m/z	Relative Intensity
55.05518	4.6
56.05040	2.9
58.06600	1.1
63.81425	0.4
70.06597	0.8
72.08158	100.0
73.75172	0.5
74.06084	40.2
77.80817	0.4
82.04390	0.5
84.04520	2.1
87.59560	0.4
92.12575	0.5
101.25104	0.5
111.09198	2.3
118.08658	13.2
120.54785	0.5
121.02873	1.9
127.12312	0.6
128.10721	25.6
138.09137	6.0
138.10059	0.5
139.03894	4.5
155.11755	5.9
163.03992	0.5
173.12857	36.6
183.11325	5.3
201.12337	62.8
219.13399	28.3
229.11972	0.8
300.19171	6.8
318.20386	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	318.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28857	0.5
58.06611	29.9
68.77724	0.5
73.09122	0.5
100.11266	12.1
105.40388	0.6
115.02416	0.9
116.98570	0.7
119.01905	2.7
121.01659	0.8
121.02843	1.3
122.03201	0.7
133.03517	0.9
144.10223	2.8
156.03642	1.0
159.81139	0.6
162.06073	0.8
163.03850	0.9
169.03461	4.4
171.05095	0.8
173.06602	14.1
184.08206	4.4
187.04553	0.9
191.07671	2.9
199.04549	2.5
200.05312	6.7
202.09250	13.6
215.10240	1.3
217.05569	12.3
220.10289	2.3
222.03160	1.1
228.10797	12.4
231.01839	0.7
232.13921	11.0
240.04128	0.9
240.10869	0.9
249.02924	1.1
258.05511	2.6
258.11868	100.0
273.54492	0.5
276.06546	5.5
276.12936	75.2
277.02682	0.6
318.13992	58.9
329.13681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06320	1.3
58.06607	33.0
63.53971	0.6
83.02917	0.7
85.42225	0.6
98.97572	0.8
100.11261	8.9
111.86063	0.7
115.02396	0.8
120.01991	1.1
133.03433	2.3
137.06001	0.7
144.10210	8.6
155.05450	0.7
156.52568	0.7
158.10228	0.8
169.03467	4.2
171.05011	1.4
173.06589	14.8
174.93256	0.7
175.11942	0.9
176.11261	0.7
184.08170	5.3
187.04518	1.5
191.07709	1.5
199.04485	2.8
200.05307	7.4
202.09235	15.9
204.02013	0.9
213.06131	0.9
217.05544	11.2
220.10286	2.7
228.10809	11.5
232.14003	10.3
237.06343	0.6
240.10625	0.8
248.84151	0.7
258.11865	100.0
276.06448	4.1
276.12927	74.9
293.28967	0.7
293.54636	0.7
295.03470	0.8
299.14597	0.8
318.13995	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16192	0.4
55.01872	0.6
55.05490	0.7
58.06599	0.9
60.05663	0.5
61.02911	2.1
65.49136	0.5
68.14700	0.5
69.03436	2.4
70.06593	6.1
70.99304	0.5
72.08145	5.3
73.02908	0.6
81.03440	0.8
84.04527	1.0
84.08144	1.4
85.02917	9.7
86.09723	1.3
87.04448	0.7
91.03962	1.1
93.07060	1.0
97.02915	2.2
97.80184	0.6
105.07033	0.8
109.02863	1.1
120.08093	1.4
121.02869	51.0
121.06461	0.9
123.04463	0.7
127.03934	2.3
138.09164	1.1
139.03914	100.0
145.04985	2.5
150.09167	2.3
159.07626	1.3
163.03918	4.8
164.69244	0.7
166.08655	0.7
174.11308	0.7
180.08589	2.3
185.02737	0.7
187.07124	0.7
208.07919	3.0
208.65222	0.6
220.09714	1.0
226.08907	2.0
254.08382	1.4
269.12808	0.6
272.09509	6.7
300.08890	2.1
307.97098	0.6
318.09882	1.1
318.14932	0.9
318.18469	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	317.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43970	0.4
54.29680	0.4
55.01921	0.3
55.05523	0.7
57.03447	46.0
61.02935	9.6
65.77041	0.4
67.05513	3.0
69.07075	0.7
75.04492	1.9
81.07071	5.2
83.08632	3.5
83.34493	0.4
95.08614	8.2
97.10192	0.9
109.10153	6.3
117.05499	100.0
123.11723	1.5
136.37512	0.4
165.16335	0.7
184.58322	0.4
189.16405	0.7
196.16422	0.4
201.18486	0.9
299.22180	3.3
317.23343	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.56307	1.3
55.01884	2.2
55.05519	6.5
57.03448	16.2
67.05507	11.0
68.10702	1.5
68.63088	1.2
68.87766	1.3
69.07066	8.2
69.56384	1.2
79.05500	14.1
79.78551	1.1
81.07059	8.9
83.08639	2.9
85.06554	3.2
88.07658	1.4
91.05486	21.4
93.07045	14.1
95.04993	5.0
95.08612	8.6
97.06527	2.7
97.10198	2.0
105.07042	13.2
107.08616	11.3
109.06525	100.0
109.10162	9.3
111.08144	2.2
113.06031	7.7
117.07011	13.7
119.04955	2.5
119.08611	6.8
121.06490	1.6
123.08069	2.6
129.07030	10.5
131.08589	13.5
133.06544	4.8
133.10197	7.7
135.08046	22.5
141.07018	1.4
143.08572	9.1
145.06503	1.4
145.10197	5.6
147.08092	7.9
147.11644	2.6
148.08884	6.7
149.09706	2.0
155.08604	2.8
157.10138	2.1
159.08069	1.3
159.11745	2.2
161.09702	6.8
161.13290	2.0
169.10222	2.6
171.11778	1.8
173.13274	1.5
175.11194	5.6
183.11800	5.1
185.13301	6.6
186.09157	12.0
187.09769	1.7
187.11266	1.7
189.12695	3.1
199.14955	1.5
201.12808	2.0
201.36244	1.5
209.13266	2.5
218.14272	6.1
221.15480	1.8
243.17514	9.3
245.15385	2.4
251.16490	2.0
281.19107	2.7
299.19977	11.4
317.21259	68.1
317.27890	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Microclavatin
Peak:m/z	Relative Intensity
55.05510	3.1
57.03442	2.8
57.07065	1.4
67.05505	9.4
69.07082	3.5
69.38137	1.5
71.04990	2.5
71.08640	2.9
72.72543	2.0
79.05498	2.3
81.07066	14.1
82.10238	2.0
83.08612	3.8
91.05492	2.4
93.07078	6.8
95.08611	9.7
99.08103	2.7
105.07027	3.6
107.08633	9.5
109.10193	13.1
111.08099	3.9
119.08578	3.5
121.10144	16.8
123.04446	3.8
123.08076	2.1
123.11718	8.7
133.06512	2.7
133.10167	3.2
137.05962	2.0
137.09651	7.7
145.10133	2.9
147.08096	2.1
147.11746	10.1
149.06021	15.6
149.09604	3.7
159.08116	2.6
160.07637	3.9
161.06042	2.5
163.07513	20.1
165.09109	43.9
165.12730	3.0
173.05965	3.0
173.09627	1.9
175.07602	3.5
175.11108	2.6
177.09163	3.5
179.10660	16.6
186.09138	18.5
187.07576	18.5
187.09964	6.8
188.08490	1.7
189.09084	21.2
189.12776	3.3
191.10652	26.9
197.09651	1.7
200.08372	2.1
201.09113	16.2
201.12785	7.0
203.10645	17.7
205.08681	7.8
205.12227	37.0
207.10194	2.0
213.12790	2.7
215.10693	22.5
215.14432	6.5
217.12286	10.2
218.14224	10.0
219.13826	3.8
229.12289	26.3
231.13765	18.9
233.11739	3.3
239.14333	6.7
243.13864	6.8
243.17415	2.0
257.15366	40.2
275.16476	10.8
281.19223	2.0
299.16626	2.7
299.20038	63.6
317.18472	8.4
317.21271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
67.05524	23.3
69.07094	2.5
77.10658	2.1
77.64244	2.0
78.35397	2.1
78.47235	2.0
81.07050	10.1
91.05481	2.5
93.07056	5.5
95.04970	17.2
95.08602	13.3
98.97609	2.2
105.07000	2.8
107.08604	26.6
109.06541	10.4
109.10162	65.8
119.08562	32.7
121.10128	2.6
123.08057	10.4
126.54210	2.3
133.10143	3.6
135.08035	4.8
137.09641	41.0
151.07552	42.0
156.13297	2.1
161.09645	3.2
163.11171	2.7
164.34685	2.4
165.09125	2.5
165.14220	2.4
173.09544	2.7
173.13191	2.9
181.08589	3.6
189.12802	23.2
207.13788	20.9
218.14030	3.0
243.13736	3.1
256.26407	2.4
261.14728	3.0
299.20129	11.0
317.21188	100.0
332.72171	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	317.2113
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
50.38135	0.7
54.43827	0.8
55.05506	3.8
57.07096	2.6
59.05013	2.9
67.05505	16.1
69.07056	3.8
70.26813	0.9
71.04980	0.9
79.05486	1.7
81.07057	13.7
83.04977	1.4
83.08617	0.9
86.30396	1.1
91.05473	3.8
93.07023	7.0
95.04977	12.2
95.08607	12.9
97.06516	4.5
105.07008	4.8
107.08595	23.7
109.06515	8.9
109.10162	56.3
111.08085	1.2
117.07108	1.0
118.69955	0.9
119.08586	25.2
121.06518	2.1
121.10120	4.3
123.08064	9.2
131.08586	4.1
133.06514	1.5
133.10120	5.3
133.84860	1.0
135.08072	5.1
135.11703	1.4
137.09627	35.3
139.07613	1.3
141.52405	0.9
143.08539	1.4
145.10112	4.4
147.08058	3.4
147.11693	1.4
149.09563	3.8
151.07544	30.6
153.05440	3.8
157.10107	1.0
159.08107	1.2
159.11665	3.5
161.09647	2.2
163.07616	1.2
163.11160	1.9
165.09119	4.6
167.07043	2.2
171.11716	3.3
173.13210	1.3
177.09123	3.5
181.08691	1.1
181.12125	1.0
189.12727	11.4
199.11134	1.4
203.14357	1.3
207.13766	10.6
211.14624	0.9
218.14046	1.6
221.15509	1.3
233.15239	1.8
237.14890	1.9
243.13702	2.1
261.14630	1.2
293.35187	0.9
299.20065	7.1
300.46350	0.9
317.21143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.85530	6.9
55.73538	7.3
67.05505	15.4
71.48326	7.5
73.35402	6.8
80.57673	7.2
81.07062	11.7
93.07041	10.4
94.82848	7.8
95.04977	11.7
95.08587	8.8
107.08604	17.8
109.10168	60.8
113.35114	8.2
119.08548	13.5
123.08041	9.6
137.09627	17.9
151.07532	20.6
160.07661	10.3
165.94920	8.2
175.84016	8.3
186.09189	62.7
189.12813	15.9
218.14075	37.2
231.94415	9.8
299.19916	13.0
317.17957	52.6
317.21140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2115
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.01883	4.2
55.05508	11.2
55.75431	2.1
57.07085	5.7
63.43949	2.4
64.96994	2.2
67.05504	29.7
69.07061	18.3
71.04977	2.3
71.08618	15.3
79.05510	30.3
81.03414	3.6
81.07060	33.3
82.43624	2.4
83.04977	3.0
83.08630	4.9
85.10178	3.7
91.05473	31.2
93.07050	33.4
95.04970	11.4
95.08607	24.3
97.06503	5.6
99.07012	2.5
99.08082	3.4
105.07047	30.5
107.04946	5.2
107.08581	25.9
109.06525	9.8
109.10178	4.5
111.08103	4.9
117.07044	17.4
119.08568	24.8
121.06494	12.5
121.10133	18.4
123.08081	5.3
129.07008	12.1
131.08586	33.4
133.06505	10.9
133.10103	16.7
135.08061	5.6
135.11673	4.0
141.06982	2.4
143.08580	15.0
145.06491	6.1
145.10094	19.2
147.08061	9.5
147.11732	13.2
149.09612	16.5
151.11186	13.3
155.08559	4.5
157.10103	11.2
159.08089	10.1
159.11671	9.1
161.09550	8.9
161.13281	3.5
163.11183	2.8
169.10089	10.6
171.11685	25.6
173.09676	3.7
173.13246	10.6
175.11278	4.1
177.12711	4.4
179.79781	2.6
183.11673	5.1
185.13196	4.6
186.09142	10.9
187.11282	7.5
187.14882	10.2
189.12752	11.1
197.13293	11.6
201.12796	13.6
207.11636	2.6
207.13669	3.5
213.12918	2.6
215.14294	24.6
218.14156	4.3
219.13849	2.5
253.19571	10.2
271.20560	12.4
281.19098	13.5
289.21634	3.2
299.20099	32.8
299.25870	5.9
317.21240	100.0
317.24652	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	317.2114
Annotation	Microclavatin
Peak:m/z	Relative Intensity
51.52160	4.7
55.01864	7.8
55.05520	6.6
55.07795	5.7
56.51555	5.6
57.03445	6.1
57.14425	5.1
57.45050	5.1
62.10509	5.5
67.05509	11.7
71.08625	27.5
79.05516	12.6
81.07051	14.7
91.05512	8.1
93.07042	22.8
95.08626	27.9
99.08111	9.2
105.07017	11.6
107.08586	6.8
109.10177	13.0
119.08572	14.8
123.08048	12.2
126.70773	6.6
131.08517	11.4
137.09697	7.0
145.10028	9.1
149.09621	15.7
159.11662	6.8
160.07574	10.0
169.10115	7.5
173.13231	7.0
186.09186	50.4
187.09883	13.3
201.12738	10.2
217.28902	6.9
218.14186	31.2
227.32219	6.2
229.15900	8.0
281.19104	7.9
299.20108	23.4
317.18338	30.4
317.21414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
54.02951	1.5
54.59028	1.6
57.25581	1.9
83.08646	2.1
101.05984	2.5
108.14863	1.8
111.04414	2.1
116.47454	1.9
163.07524	2.4
175.11217	2.2
187.07573	3.7
203.10652	32.3
218.14236	3.2
229.12294	10.1
275.16391	2.2
283.29163	2.1
317.21198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.05507	5.6
56.85122	4.1
57.03441	4.0
67.05515	16.3
69.03470	3.7
69.07066	3.7
71.04977	5.4
71.08627	20.5
79.05489	6.6
80.27926	4.0
81.03427	5.1
81.07060	16.6
87.04459	22.7
91.05472	17.8
93.07034	8.6
95.04983	16.1
95.08613	20.2
96.25147	5.5
97.06512	5.6
99.08129	7.3
105.07027	16.8
107.04967	5.0
107.08584	9.3
109.10151	5.5
113.67484	4.2
115.03921	4.1
117.07026	9.0
118.64861	3.9
119.08543	14.9
121.06528	4.2
121.10136	9.4
129.07008	5.4
131.08577	19.6
133.06482	4.2
133.10115	14.8
137.09615	14.0
143.08618	6.2
147.08047	6.6
149.09598	3.9
151.11186	47.3
159.11681	4.3
161.09578	7.0
177.12758	4.5
186.09113	31.4
187.09924	7.7
201.12753	7.6
215.14288	8.0
218.14204	16.3
246.97659	4.5
251.16460	20.5
267.16098	6.6
271.20352	3.8
281.19101	4.5
294.94388	4.4
299.20117	19.5
317.21411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
62.40282	1.5
73.91466	1.7
117.89506	1.6
121.10110	2.6
144.17456	1.6
146.16658	1.7
163.07541	6.8
173.09567	2.2
182.17371	2.0
183.08064	8.0
187.11192	2.3
215.14348	2.4
218.14122	8.1
239.14330	1.7
251.58539	1.8
260.41376	2.0
275.16519	8.2
276.57602	2.0
304.78149	1.8
304.94342	1.7
310.17645	2.0
317.21152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.92838	0.2
55.51593	0.3
70.08762	0.3
71.31334	0.3
72.61017	0.3
121.10123	0.6
147.08057	2.1
150.63881	0.3
152.02351	0.3
159.08014	0.5
161.06053	0.3
163.07539	4.5
163.11156	0.6
171.08064	2.1
173.09647	1.3
175.11252	0.3
183.08081	0.4
185.09572	0.4
187.11241	0.3
189.09122	0.7
190.63362	0.3
197.09515	0.4
203.10623	1.7
213.12740	8.5
215.10721	0.4
215.14502	0.3
239.14348	1.9
257.15427	0.4
275.16403	10.4
281.18951	0.4
317.21112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
58.81741	0.3
81.07072	0.3
87.11992	0.3
95.08598	1.5
109.10160	0.3
121.02888	0.4
121.10142	0.6
147.08006	0.4
159.08075	0.5
161.88766	0.3
163.07539	6.2
171.08061	2.7
173.09570	0.7
185.09648	0.3
187.11147	1.4
189.09099	1.8
191.10777	0.4
197.09715	0.5
199.11197	0.7
202.86900	0.3
203.10661	1.2
205.12242	0.5
205.72752	0.3
213.12753	11.5
215.14488	0.3
220.80595	0.4
221.13271	0.5
225.12694	0.4
227.14244	0.5
239.14320	2.5
257.15372	0.6
275.16440	7.8
281.18954	0.7
299.19882	0.4
317.21133	100.0
339.53448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2115
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.01430	1.0
55.05520	1.8
56.08719	1.0
57.29842	1.0
58.72280	1.0
67.03593	1.3
67.19529	1.2
68.98197	1.1
69.07073	2.2
78.09756	1.2
81.07068	2.3
83.08619	2.2
95.08619	1.6
123.11720	2.8
133.10161	1.4
134.40630	1.2
151.06458	1.2
160.07584	4.9
161.05949	2.3
186.09117	11.4
187.09935	6.0
211.11176	5.4
218.14130	5.4
225.12784	1.4
276.15970	2.7
296.34381	1.4
299.20071	100.0
317.18433	6.3
317.21469	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	317.2114
Annotation	Microclavatin
Peak:m/z	Relative Intensity
52.39576	8.3
56.04741	6.8
69.96786	8.2
81.07065	11.7
86.46893	7.4
91.05455	13.3
93.07052	12.3
98.97596	7.8
105.07039	10.1
109.10164	10.2
111.96381	10.1
119.08605	17.6
121.10184	9.1
123.04411	15.7
123.08053	11.9
133.10130	11.6
135.08105	9.2
145.10156	10.6
157.10146	8.0
159.11668	14.0
160.07613	9.4
161.13185	8.4
169.10091	10.7
173.09663	9.8
183.11583	9.1
186.09180	16.7
197.13309	8.2
218.14162	16.8
222.11331	13.8
241.29771	7.6
281.19116	12.0
285.09869	9.4
299.20090	46.2
315.19379	8.0
317.18011	13.0
317.19055	16.1
317.21365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	0.2
67.53070	0.2
69.03430	0.4
69.07059	0.9
70.06604	0.3
72.08158	1.3
81.07057	0.4
81.36018	0.2
84.08135	0.8
86.09698	1.1
93.07057	0.2
99.04379	0.2
101.07111	0.2
107.04964	1.2
108.08101	0.3
113.96581	0.2
115.07567	0.2
125.06026	0.2
129.06548	0.2
129.10226	0.4
132.10236	0.2
136.07626	1.5
139.88234	0.2
143.11789	0.8
146.06004	0.3
148.07588	0.7
158.09612	0.2
160.07578	24.2
161.08369	0.3
162.09171	0.4
168.10159	0.4
168.89769	0.2
173.08380	5.0
174.09129	4.2
176.10677	1.6
180.99446	0.2
186.09142	3.7
188.09322	0.3
188.10741	4.0
189.10423	0.2
189.12334	0.4
196.09711	0.9
198.09180	1.2
199.09956	0.3
200.10881	0.2
203.08194	1.7
203.11761	0.9
205.13428	1.3
208.98956	0.9
212.10724	0.9
214.12340	0.3
215.11722	1.3
216.08868	1.5
217.09735	3.4
218.10503	6.0
226.12318	0.3
229.09758	1.0
230.10608	0.3
231.11258	5.3
232.00557	0.4
232.12035	4.6
233.12842	18.8
239.13156	0.3
240.13861	0.2
243.11282	1.4
254.15376	2.4
271.18176	0.6
273.12207	0.4
289.19040	1.3
299.17505	1.5
302.16260	4.6
317.18594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
57.43599	0.2
58.06373	0.2
58.06613	6.2
60.38396	0.2
65.35995	0.2
66.28928	0.3
67.05508	0.3
69.03427	0.5
69.07079	1.9
70.06586	2.0
72.08164	2.7
81.03406	0.2
82.06580	0.3
83.06113	0.5
84.04497	1.4
84.08132	1.7
85.02888	0.4
86.06053	1.5
86.09724	3.9
87.05594	1.1
90.20516	0.3
93.07051	0.3
95.08580	0.3
96.08143	0.3
98.09653	0.3
99.05582	0.4
103.08690	0.4
104.25906	0.3
105.07049	0.3
109.02876	0.3
113.07140	1.1
115.05074	0.4
115.06631	0.2
118.52761	0.2
120.08135	0.3
122.09665	0.3
123.04391	0.3
124.03944	1.2
127.03918	0.4
129.06587	0.6
129.10258	0.4
130.06540	0.3
132.10213	2.4
134.06856	0.3
136.07607	2.3
140.08170	0.5
141.06639	1.4
143.01935	0.3
143.11832	1.2
144.08118	1.3
146.06020	0.4
147.06789	0.5
148.07579	8.3
150.09106	0.4
152.07033	0.4
155.06860	0.2
156.08026	0.4
157.08844	0.3
158.09444	3.0
160.07581	11.4
161.06007	0.4
162.06422	0.5
162.09174	0.6
168.08054	1.4
170.09596	0.5
172.07471	0.3
173.06522	0.4
174.09149	7.9
176.07060	5.0
176.10637	0.4
178.08562	0.4
182.09634	0.4
184.07579	0.5
184.11232	0.3
185.10776	0.3
186.08893	2.6
187.06314	0.3
188.07111	0.6
189.12392	0.6
190.08655	2.3
193.08748	0.4
196.07626	0.5
201.13879	0.6
202.08630	1.4
210.09212	0.5
214.08672	1.6
214.12299	5.8
215.07808	0.4
215.11809	0.5
215.91983	0.3
217.09740	1.9
217.13316	2.0
218.10516	1.6
218.14166	1.2
226.12357	0.4
228.13834	0.6
229.13429	1.0
231.11334	3.3
232.11763	17.4
233.12866	9.3
243.14932	0.4
244.13359	0.6
246.14810	0.3
250.27127	0.3
256.13303	1.7
259.14493	1.2
271.17905	0.3
274.14417	2.8
286.14392	0.3
289.19101	0.4
299.11447	0.3
299.17465	3.1
300.15454	0.5
302.16208	1.1
317.12137	6.3
317.18604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1863
Annotation	julocrotine
Peak:m/z	Relative Intensity
55.98929	0.3
57.16024	0.3
70.16301	0.4
72.08143	1.8
73.27521	0.3
82.56414	0.4
84.04540	0.5
84.08134	0.5
86.09720	0.4
91.05465	0.5
114.09181	0.6
118.32851	0.3
121.06475	0.5
136.07613	0.4
137.05995	0.5
143.11800	1.3
148.07639	0.7
150.06711	0.5
160.07581	26.1
162.09113	0.5
173.08339	5.9
174.09158	4.7
176.10713	1.4
181.06583	0.5
186.09200	3.0
188.10764	4.3
198.09204	0.5
203.08180	2.7
203.11827	0.8
205.11598	0.4
205.13367	0.7
212.10693	0.4
215.11876	0.8
216.08946	1.8
217.09691	3.1
218.10510	5.6
229.09734	1.4
231.11238	5.7
232.12068	4.9
233.12839	20.6
239.13011	0.4
243.11365	0.6
254.15492	1.8
271.18124	0.5
299.09106	2.6
299.12454	2.8
299.17554	0.8
302.16299	4.8
317.18607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06585	0.8
72.08155	1.2
77.27010	0.5
85.53729	0.5
88.52173	0.5
89.04917	0.6
89.39057	0.5
91.25938	0.6
92.18423	0.9
105.54301	0.6
131.07298	3.3
144.08099	23.2
157.08876	34.1
158.09642	4.9
160.11174	3.7
163.03888	3.2
170.09656	2.2
171.10431	4.4
172.07423	0.8
184.11310	0.7
185.10728	8.4
186.09268	0.7
187.09984	5.3
187.12303	0.6
188.13135	5.7
199.12349	4.4
200.13094	96.2
201.13867	7.2
212.10738	1.5
218.14143	3.6
230.11731	8.3
242.11772	10.1
256.13345	14.0
287.17542	2.6
299.17511	3.1
317.11447	2.6
317.18597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.186
Annotation	julocrotine
Peak:m/z	Relative Intensity
51.17298	0.9
59.07357	1.0
76.24988	1.0
90.35461	0.9
133.48779	1.0
144.08084	25.2
152.14931	1.0
158.09616	1.2
160.07571	1.6
163.03970	1.2
170.09650	100.0
171.10431	31.7
186.09129	7.5
187.09892	2.3
193.67648	1.0
201.13805	4.3
202.14656	37.1
205.31987	1.0
218.14204	1.5
239.84947	1.1
275.74091	1.0
317.18600	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1861
Annotation	julocrotine
Peak:m/z	Relative Intensity
52.81583	0.5
54.66371	0.5
58.00747	0.5
58.06602	0.9
61.28225	0.5
80.59029	0.6
97.51434	0.6
105.97460	0.6
107.04973	0.8
144.08093	25.6
145.08847	1.4
158.09602	3.2
170.09644	94.9
171.10417	31.7
187.12270	1.0
199.12329	0.7
201.13884	5.8
202.14645	32.0
213.13779	0.7
271.17941	3.2
299.09106	0.9
317.18585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.6
62.38229	0.5
65.06622	0.5
86.59888	0.5
95.78733	0.6
160.07573	34.8
170.09592	1.1
175.64328	0.7
180.32047	0.6
186.09145	100.0
187.08229	1.2
187.09918	34.9
217.13321	2.8
218.14145	32.5
317.18591	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97883	0.1
56.11049	0.1
56.32174	0.1
58.06605	1.4
63.25523	0.1
69.42298	0.1
69.45227	0.1
70.06588	0.2
78.31654	0.1
95.65785	0.1
127.93241	0.1
144.08066	0.7
156.63733	0.1
157.08861	1.2
160.07574	35.5
161.08345	0.8
170.09622	1.6
173.08331	0.2
174.09146	1.1
175.09929	0.2
185.10805	0.2
186.09145	100.0
187.09926	38.9
200.13092	3.0
202.11012	0.3
203.11792	1.0
217.13359	3.5
218.14145	38.5
242.11664	0.3
250.40627	0.2
256.13394	0.3
290.45068	0.2
299.08212	0.3
317.18600	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.1
57.03429	1.4
60.04529	1.1
64.04936	0.6
67.05192	0.6
67.05520	9.9
69.07068	1.6
70.06567	4.7
70.96510	0.6
71.04996	0.8
72.08128	5.0
74.06054	0.8
79.05487	0.9
81.03380	0.9
81.07035	3.1
83.08592	1.1
84.04512	42.0
84.08123	3.0
85.02892	1.2
86.06033	0.8
86.09679	3.2
88.12601	0.8
91.06480	0.7
93.07011	5.0
94.45841	0.6
95.04942	1.0
97.06540	12.9
102.05534	1.3
107.04964	1.4
107.08585	12.9
108.08078	1.0
109.06525	1.1
109.10168	78.5
110.06042	5.2
110.09651	1.2
111.04375	1.1
111.08028	0.8
114.09106	1.2
114.10236	0.9
116.07058	1.6
121.06467	4.2
124.11240	6.6
125.09615	5.3
128.10678	4.1
129.06619	1.4
129.10246	1.1
130.05017	12.0
130.08650	0.8
134.09662	8.1
135.08076	6.8
143.11818	1.5
149.05919	3.1
150.06709	4.2
152.10710	34.3
153.06984	0.8
153.09097	7.9
170.11768	42.4
174.13193	1.1
181.06424	3.0
183.46407	0.8
186.09023	1.0
188.12831	81.9
190.12260	11.5
193.04990	1.4
208.13341	6.4
208.98967	1.1
209.05836	0.9
210.11256	0.8
211.07442	1.7
214.12108	1.0
216.12419	0.7
218.14055	1.2
228.10106	1.0
232.00528	0.9
233.12895	0.7
236.12842	8.3
239.07007	0.7
253.15340	3.1
254.13838	20.5
282.13266	1.6
299.09085	13.0
299.15967	6.9
300.14438	17.5
317.10577	4.3
317.17014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47413	1.6
55.42781	1.7
56.70017	1.9
60.36730	1.9
62.55187	1.6
67.05510	2.6
81.07027	2.5
83.07390	7.8
92.18492	4.0
93.07077	3.1
96.08121	13.3
101.67525	2.1
105.07035	2.6
107.08573	2.5
124.85413	2.3
131.08548	2.1
149.09612	2.7
159.11569	2.6
160.07600	15.3
171.11777	3.0
177.55411	2.3
183.11797	2.4
186.09151	40.7
187.09956	15.6
188.01669	48.0
189.02441	12.4
190.03285	9.3
209.13217	2.3
218.14214	15.0
231.05891	25.5
232.06630	43.3
233.07430	15.6
242.06609	3.0
256.07913	3.7
271.20593	2.8
274.08957	44.9
299.12119	4.2
317.13217	100.0
317.18127	30.7
317.21277	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	317.1024
Annotation	Pholidotol B
Peak:m/z	Relative Intensity
52.08762	0.9
53.03956	0.9
53.46300	0.9
55.01868	1.2
55.05524	1.2
58.86814	0.8
67.00082	0.9
67.63300	0.9
69.03419	0.9
69.07037	1.4
70.06574	2.2
72.08147	2.5
74.06071	1.1
78.43217	1.0
84.04468	1.3
84.08128	1.8
86.09689	1.3
91.05468	4.7
93.07027	2.1
95.04968	10.9
97.02859	1.1
102.93978	1.2
103.05460	4.3
107.04963	100.0
119.04955	7.3
120.05759	10.9
120.06525	2.1
121.02875	2.1
121.06508	17.7
123.04415	2.1
131.04903	10.1
132.05698	9.0
136.07538	4.3
137.05969	9.4
139.03809	1.4
139.44421	1.0
143.11746	1.6
147.04337	1.0
149.05988	22.8
150.06877	1.2
151.03874	4.2
160.07556	14.2
165.06923	4.4
167.03365	5.5
167.06953	1.2
168.10179	1.9
173.08391	2.2
174.09084	1.4
175.04051	1.1
181.04980	21.9
181.06456	3.4
183.08061	11.6
186.09064	4.3
193.04919	6.5
193.06535	1.6
196.09662	6.2
197.06013	1.3
205.04866	1.1
209.05957	1.9
211.07556	12.6
212.67291	1.1
213.05269	1.2
215.01285	1.1
218.10417	2.2
218.14073	4.1
223.05736	1.2
223.07611	1.5
231.11313	2.1
232.11955	1.2
233.12828	9.5
237.05469	1.2
241.08614	1.7
243.10165	4.2
255.10004	1.3
269.08063	18.5
273.07593	5.1
273.12161	1.8
281.08023	1.3
287.09119	16.5
299.09152	10.8
300.09793	1.5
302.16025	1.7
317.10260	21.2
317.14719	1.9
317.18542	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	317.1022
Annotation	5,2'-Dihydroxy-7,4'-dimethoxyflavanone
Peak:m/z	Relative Intensity
55.43849	0.5
67.05510	0.8
70.95267	0.5
81.07069	2.2
91.05470	1.4
93.07067	0.9
95.04972	0.9
95.08597	1.3
105.07035	0.9
119.04868	0.7
121.06537	9.1
131.04997	0.6
133.10100	1.0
134.03625	2.4
136.07538	0.9
137.05986	2.3
145.10115	1.2
149.05966	8.3
151.07550	2.5
152.06258	0.6
153.06985	10.6
157.10207	1.0
160.07559	4.3
165.06996	0.8
167.08542	0.9
168.05681	0.7
180.05768	0.8
181.06480	24.2
181.08032	1.2
183.08086	2.4
186.09157	9.8
187.09906	5.5
193.04941	3.6
193.06523	0.6
195.08124	1.4
196.05214	3.2
197.05984	2.7
198.06804	5.5
199.14796	0.8
207.04436	4.7
209.06036	4.4
211.07521	18.4
213.05695	0.8
213.09114	10.6
218.14154	4.0
224.04723	1.0
225.05530	2.5
226.06282	1.0
228.07875	1.4
235.03941	4.4
239.07048	11.2
240.07751	1.0
241.05028	1.3
241.08549	6.6
242.09473	1.0
253.19482	0.9
255.06250	0.8
256.07275	6.4
257.08008	1.4
258.08783	1.0
259.23502	0.6
267.06555	8.3
271.09726	2.6
271.20441	0.7
272.10303	1.0
273.11169	1.5
281.19083	0.8
284.06851	6.9
285.07629	4.7
294.16403	0.8
299.09146	100.0
299.20135	3.3
317.10205	29.3
317.18155	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	316.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50658	0.9
57.07084	4.0
62.06079	1.2
71.08647	1.4
86.06068	16.5
95.08604	1.3
101.22692	0.9
128.32469	1.0
133.93062	1.2
194.29707	0.9
212.23764	11.5
214.09526	1.0
254.24762	100.0
265.26749	1.0
274.27411	5.0
316.28412	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76736	0.8
53.55475	0.8
54.08083	0.8
55.79822	0.8
57.07082	5.0
70.06596	15.5
71.08640	1.9
82.51946	1.0
85.10212	1.2
88.07641	50.5
92.18159	3.9
95.08597	1.5
105.17825	0.9
106.08681	100.0
109.28976	0.9
117.05458	1.0
139.88727	1.1
146.84631	1.1
229.12946	3.7
255.23218	16.1
298.27390	1.1
308.09872	1.0
316.28531	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	316.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	36.6
64.82896	12.9
67.05499	65.1
69.07063	18.0
73.62221	15.2
79.05491	39.5
81.07060	71.7
83.08618	19.3
85.61961	15.2
91.05485	18.2
93.07039	64.2
95.08601	29.9
97.06541	23.9
100.11224	23.3
107.08570	28.3
131.08562	20.2
133.10068	22.1
135.11688	71.0
139.11165	30.8
149.69328	15.8
163.11281	19.0
181.12251	100.0
263.20065	67.0
281.21057	33.0
316.16122	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	316.2234
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
53.22624	0.4
55.05502	0.6
57.07077	0.6
59.04990	0.6
60.05650	1.9
64.11497	0.5
69.07069	2.6
70.06586	1.3
71.05002	9.0
81.07066	16.1
82.12431	0.5
86.06077	4.3
86.09714	5.1
87.04477	9.6
93.07052	9.9
95.08617	2.2
97.06535	1.0
102.72190	0.6
104.07086	3.1
106.42998	0.6
107.08607	6.9
109.10168	1.2
111.05563	0.9
111.08062	0.5
115.11732	0.5
116.07058	0.5
128.08180	2.4
130.09734	0.8
135.11693	14.0
146.09256	65.1
153.12759	5.5
199.17982	0.7
227.17528	0.7
251.96135	0.5
316.22318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35569	0.2
53.75834	0.2
55.05512	1.4
56.05047	0.3
57.44230	0.2
60.04526	0.5
60.05642	0.2
62.70155	0.2
63.26630	0.2
65.42198	0.2
67.05522	0.3
69.07072	2.4
70.06602	4.1
72.08160	34.1
84.04520	0.4
84.08150	0.6
85.02936	0.3
86.09712	100.0
87.04522	0.2
87.05590	0.9
102.05532	0.3
111.88370	0.2
115.08772	0.2
116.07097	8.3
118.08659	1.3
120.08100	1.9
128.10725	0.4
129.10204	0.3
136.75554	0.2
136.89546	0.2
137.05986	0.3
144.08098	3.6
145.08432	4.5
153.05431	0.2
157.08858	0.3
158.09340	0.4
159.10056	0.4
170.09656	0.3
171.14928	10.9
173.12874	4.4
194.11745	0.2
198.73619	0.2
199.14432	11.5
199.18066	17.6
201.12416	0.5
202.10574	0.3
203.13921	6.9
203.15694	0.3
216.12218	1.1
217.13094	0.9
217.15556	1.2
225.11075	1.0
227.17548	22.1
253.08826	0.2
270.16901	1.4
299.09747	0.5
301.15149	0.3
316.12039	1.5
316.17450	22.7
316.22339	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	316.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57895	0.4
58.06601	0.6
70.06583	0.6
72.08129	1.8
80.90617	0.4
86.09711	3.3
116.07106	1.1
160.07578	32.8
161.08383	1.6
170.09741	0.7
174.09096	0.6
186.09148	100.0
187.09933	37.3
199.18098	1.0
217.13353	4.7
218.14146	34.9
227.17566	0.6
245.16861	0.7
316.20190	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23325	0.6
57.95701	0.5
58.06604	0.8
59.67631	0.5
60.30227	0.5
62.36007	0.6
66.66077	0.5
67.91068	0.6
70.06601	0.6
73.58308	0.5
86.09644	0.6
106.30640	0.5
121.02000	0.6
160.07574	34.1
161.08339	0.6
170.09734	0.9
174.09119	0.8
186.09143	100.0
187.08235	1.2
187.09926	36.8
202.10954	0.6
217.13354	3.7
218.14145	43.2
244.99619	0.6
316.20193	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19735	0.2
55.30587	0.3
56.57184	0.3
60.04537	6.8
65.73325	0.3
69.07069	1.4
69.34420	0.3
70.06600	36.4
72.08157	2.0
79.97444	0.3
81.07037	0.5
84.04495	0.5
84.08146	1.5
86.06057	0.4
86.09714	62.5
87.05601	8.2
88.03991	0.6
102.05534	0.6
116.07098	100.0
122.02773	0.4
123.08076	0.4
128.10744	4.5
129.10249	0.6
131.07327	0.3
136.07588	0.4
144.08136	0.4
145.08461	1.4
153.05481	0.4
154.08682	0.4
157.09723	3.6
165.09219	0.4
172.09691	1.3
173.12862	45.2
181.35129	0.3
185.09251	2.1
195.06578	0.4
199.18088	8.1
200.13025	0.3
201.12338	12.7
203.13968	1.5
216.12695	0.3
217.12944	1.4
227.17551	6.6
229.15520	2.1
230.11752	0.5
230.38124	0.3
231.12088	3.8
248.97412	0.4
298.17352	0.5
316.13223	1.4
316.17853	12.7
316.22702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1754
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
52.01583	0.3
55.05503	0.4
56.05014	0.4
59.79028	0.3
60.04520	0.9
60.05651	0.4
67.05487	0.9
68.05806	0.6
69.03422	1.4
69.95171	0.3
70.03747	0.7
70.06240	0.6
70.06597	13.3
72.08172	2.9
74.58659	0.3
80.05010	0.4
81.03432	0.5
82.06586	0.4
84.08119	0.6
85.02898	0.9
86.09722	4.8
93.05808	1.4
94.06551	1.7
95.08580	0.4
98.06043	1.5
107.04963	0.5
108.08108	1.8
109.02899	0.4
109.06533	0.7
111.06789	0.7
112.07584	1.5
116.07095	7.1
120.07978	0.4
123.04424	0.6
123.08075	0.6
128.10707	0.4
132.59828	0.4
136.07573	2.6
138.09151	6.3
145.08449	0.6
149.09656	0.5
154.08662	7.1
155.09396	6.0
157.09721	2.5
163.03935	1.6
172.09680	28.9
173.12836	3.9
185.09311	0.8
195.10139	0.4
199.18362	0.4
200.12239	0.4
201.12285	0.5
206.08157	0.4
226.14452	0.8
227.56970	0.4
229.15485	2.7
230.11699	0.6
231.12065	2.1
272.14948	1.3
316.17532	100.0
316.48163	0.4
327.73535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84118	0.3
66.13322	0.5
66.17993	0.4
70.78928	0.4
72.08161	28.2
89.10798	12.8
94.02933	6.2
109.10164	2.7
114.09185	1.0
116.07113	0.6
117.07397	0.6
134.04480	0.6
135.08073	0.5
137.02356	5.5
137.09618	4.9
154.06529	0.8
161.02356	6.5
165.09128	3.5
182.06061	0.8
186.05525	6.3
200.07085	18.0
210.05519	1.7
228.06557	100.0
235.96121	0.5
283.54971	0.4
299.13971	8.7
316.16556	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11738	0.4
64.32935	0.4
67.05509	5.7
69.07081	2.0
70.02960	18.9
70.06606	9.5
71.06923	2.3
71.95894	0.5
72.08160	4.1
72.50865	0.5
74.02438	1.1
79.05505	0.6
81.07059	5.3
86.09715	28.6
86.10234	1.0
87.10058	0.8
88.03999	12.1
89.10787	0.8
91.05457	0.5
93.07034	1.9
95.04977	0.9
95.08612	5.6
99.04498	0.5
99.08123	0.6
103.15268	0.4
107.08601	0.8
108.08864	0.4
109.10166	42.5
112.03939	0.5
116.03436	4.0
116.07100	26.6
117.06734	0.7
117.07455	12.9
119.08579	1.9
121.10155	2.0
125.05993	3.9
126.05512	2.2
132.10202	1.9
134.04503	8.6
135.08093	2.6
136.08420	0.7
137.09630	100.0
147.08084	0.5
155.10669	9.8
157.13371	9.7
163.03922	0.9
165.09119	60.0
172.09706	2.8
173.10010	4.5
175.86218	0.5
183.10176	4.5
185.12869	8.4
200.07054	1.1
201.09579	0.7
201.11212	3.7
203.14003	1.1
206.11801	2.4
224.12929	0.5
228.06540	10.4
228.08656	0.6
234.11243	3.6
252.12300	17.1
270.13376	5.6
280.11807	14.5
298.12863	15.9
299.13855	0.7
316.13702	15.0
316.16791	3.8
316.21329	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	315.2533
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
55.05518	9.0
57.03433	1.4
57.07084	17.4
57.49210	1.4
58.36866	1.9
67.05512	36.9
69.07072	28.4
69.85530	1.7
71.04989	7.6
71.93424	1.6
73.06538	1.7
79.05509	13.0
79.30438	1.8
81.06606	2.5
81.07067	63.9
83.04980	7.5
83.08624	9.4
84.38353	1.6
85.06551	2.9
91.05473	2.7
93.07054	23.8
95.08611	53.8
97.06541	9.8
97.10168	10.7
105.07045	3.1
107.08629	12.7
109.10163	32.6
111.08067	2.4
111.11733	3.7
117.06989	2.8
119.08593	7.2
121.10135	34.1
123.08138	1.8
123.11697	14.7
127.11175	2.6
131.08601	3.3
133.10127	3.3
135.11707	19.2
137.13300	7.6
139.11208	14.4
145.10141	4.0
147.11610	1.7
149.13248	2.9
153.12712	2.2
161.13237	7.0
169.12276	2.4
179.14212	2.9
193.15614	2.0
199.13286	2.4
203.12730	8.3
209.15471	2.1
217.14377	3.1
243.21066	2.8
261.22046	14.3
279.23175	100.0
295.92145	1.8
297.24213	28.4
315.12262	2.2
315.19501	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	315.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02164	0.4
55.05503	0.6
60.05647	2.3
62.33264	0.4
67.05477	0.5
68.32657	0.4
70.06602	3.4
71.83879	0.4
72.08160	55.7
73.04031	0.5
81.07058	1.1
83.08620	0.6
84.05647	4.2
84.08137	3.2
89.63474	0.4
92.18412	0.6
93.07016	1.8
96.04502	0.7
102.06686	6.8
109.10136	0.8
114.09136	1.8
116.07059	2.0
121.10167	5.6
123.11718	1.8
123.53838	0.4
127.08680	1.2
131.12961	0.5
135.04453	0.5
138.12799	0.5
138.88197	0.5
149.09610	3.7
155.12871	1.9
156.11285	4.2
166.12257	11.1
167.10681	1.1
178.12289	0.8
180.15005	0.5
184.13333	4.8
196.13237	0.8
201.16858	0.5
202.14362	1.0
208.05237	0.5
208.14507	0.8
220.16885	4.2
226.15477	6.8
238.18010	8.2
244.16539	29.0
255.20648	1.1
256.19049	5.8
269.07855	0.6
298.21222	5.1
315.04846	1.8
315.23904	100.0
328.14206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05644	0.7
70.06606	2.2
72.04507	0.3
72.08161	26.2
81.07066	0.4
84.05632	9.3
84.08157	3.3
85.02874	0.3
93.07009	0.4
96.05603	2.3
97.02912	2.2
98.07146	1.3
101.10775	0.3
101.23040	0.3
109.06470	0.6
110.07151	1.4
112.08693	0.3
114.09179	2.3
114.10338	1.1
116.07095	0.6
122.07191	0.5
124.08743	0.4
126.06625	2.5
127.08676	0.5
131.12909	0.4
136.06174	1.1
137.06523	0.6
138.10245	1.3
143.11752	0.4
148.08698	0.6
148.11232	0.5
152.05682	1.6
152.08189	0.5
153.06023	0.6
155.12894	1.5
162.59322	0.3
166.00821	0.3
178.13405	1.3
183.01070	0.4
190.13371	2.4
197.13916	1.6
202.10831	0.4
208.14468	6.2
226.13815	0.3
226.15506	9.7
244.16559	17.0
244.19086	0.5
244.60445	0.3
297.15598	0.4
297.19757	0.5
297.22787	3.1
298.17996	0.4
298.21274	1.7
315.16736	7.4
315.20670	4.3
315.23901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05644	0.7
70.06606	2.2
72.04507	0.3
72.08161	26.2
81.07066	0.4
84.05632	9.3
84.08157	3.3
85.02874	0.3
93.07009	0.4
96.05603	2.3
97.02912	2.2
98.07146	1.3
101.10775	0.3
101.23040	0.3
109.06470	0.6
110.07151	1.4
112.08693	0.3
114.09179	2.3
114.10338	1.1
116.07095	0.6
122.07191	0.5
124.08743	0.4
126.06625	2.5
127.08676	0.5
131.12909	0.4
136.06174	1.1
137.06523	0.6
138.10245	1.3
143.11752	0.4
148.08698	0.6
148.11232	0.5
152.05682	1.6
152.08189	0.5
153.06023	0.6
155.12894	1.5
162.59322	0.3
166.00821	0.3
178.13405	1.3
183.01070	0.4
190.13371	2.4
197.13916	1.6
202.10831	0.4
208.14468	6.2
226.13815	0.3
226.15506	9.7
244.16559	17.0
244.19086	0.5
244.60445	0.3
297.15598	0.4
297.19757	0.5
297.22787	3.1
298.17996	0.4
298.21274	1.7
315.16736	7.4
315.20670	4.3
315.23901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	18.8
55.36099	3.2
60.13966	3.7
64.78882	3.3
67.05521	4.4
69.07053	8.3
71.08621	21.9
79.05481	7.0
81.03433	30.5
81.07051	14.7
83.08626	68.4
91.05473	7.1
93.07039	17.0
95.04942	9.3
95.08611	6.4
97.06543	4.8
99.08080	7.9
105.07035	8.0
107.04948	5.3
107.08598	18.0
111.04428	4.5
111.08077	24.1
121.10138	15.3
131.04944	5.0
133.10118	6.2
135.07968	4.6
139.07555	19.2
139.11212	14.6
149.09598	31.7
157.08594	6.9
159.11740	4.8
161.05960	17.6
165.12733	3.6
167.10678	18.1
168.68179	4.8
173.04118	4.8
175.09702	7.6
195.08023	16.1
197.11705	4.3
201.12956	5.4
209.86592	4.1
221.06096	3.9
223.07530	18.9
235.20561	5.6
240.07875	5.6
250.06288	4.5
255.10143	19.0
261.18399	8.8
265.08633	6.9
275.09540	4.0
279.19574	100.0
283.09619	82.7
284.10294	6.4
297.20700	58.1
315.12094	42.5
315.19122	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	315.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30893	0.3
52.17115	0.3
53.96371	0.3
58.06604	0.7
64.97221	0.3
74.02572	0.3
75.75335	0.3
79.09386	0.3
95.04960	0.3
144.08098	27.3
145.08859	0.7
158.09666	0.8
170.09647	100.0
171.10431	30.5
186.09093	0.4
201.13892	4.1
202.14658	31.1
223.07628	0.4
249.93414	0.4
306.38232	0.4
315.20682	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2066
Annotation	Herqueline
Peak:m/z	Relative Intensity
58.06589	0.6
97.75337	0.2
100.10820	0.3
106.13686	0.3
107.08486	0.3
113.43140	0.3
119.88113	0.4
144.08086	26.1
145.08894	1.1
158.09679	1.6
170.09641	100.0
171.10420	33.1
186.11462	0.3
187.12320	0.7
201.13843	3.9
202.14647	36.5
223.07584	0.4
283.09796	0.4
315.20670	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19215	0.5
55.54844	0.6
63.77761	0.5
66.86305	0.5
75.48406	0.5
81.14414	0.6
87.27763	0.6
104.82732	0.5
131.04909	0.8
133.37115	0.6
144.08083	51.0
145.08867	2.5
148.07571	0.7
158.09645	2.4
161.05940	2.7
161.07167	0.9
170.09637	94.1
171.10420	26.8
187.12283	1.2
188.13086	19.1
195.08052	1.4
201.13892	1.0
202.14667	18.9
202.16457	0.8
223.07576	3.2
224.10716	0.9
237.09094	1.1
251.06975	1.1
255.10127	4.3
265.08554	2.6
269.16351	2.5
283.09647	10.0
315.12665	9.0
315.20676	100.0
327.86414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2067
Annotation	Herqueline
Peak:m/z	Relative Intensity
51.36098	0.3
56.06210	0.3
59.53330	0.3
60.25145	0.4
83.09908	0.4
85.14693	0.3
88.79652	0.3
92.18436	0.5
95.74859	0.4
105.73987	0.4
144.08096	25.3
145.08873	0.8
158.09648	1.7
161.29196	0.4
163.99432	0.4
170.09650	100.0
171.10423	27.6
189.65633	0.4
201.13934	3.8
202.14656	31.8
315.20682	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	1.6
71.35620	0.4
82.24500	0.3
87.91142	0.4
138.35873	0.3
141.91266	0.3
144.08089	26.0
145.08873	1.6
158.09665	1.5
170.09641	100.0
171.10419	27.2
171.11896	0.8
187.12289	0.4
201.13852	3.9
202.14655	30.8
289.41412	0.4
315.20670	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1956
Annotation	Cespihypotin R
Peak:m/z	Relative Intensity
80.73670	2.1
81.07069	2.9
96.73177	2.2
98.08266	2.2
99.45496	2.3
122.54565	2.2
131.08569	4.3
145.06514	2.6
147.08092	8.1
171.08046	17.8
187.11189	77.5
199.11221	12.0
213.12740	30.5
227.14275	25.0
269.19034	18.3
283.09442	3.1
315.19604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1957
Annotation	CHEBI:70559
Peak:m/z	Relative Intensity
66.41899	0.7
67.05478	1.0
71.04964	0.8
71.08579	0.9
79.05477	0.9
81.07050	3.5
93.07021	1.3
97.06506	1.0
99.61160	0.8
105.07007	0.8
107.08602	1.1
119.08597	1.1
121.06489	1.0
127.07604	0.9
133.06479	2.9
133.10150	1.0
136.48596	0.9
145.06467	1.7
147.08075	1.6
149.09679	3.4
157.06502	1.6
159.08008	2.0
159.73128	0.8
161.05969	5.0
161.09593	1.3
163.11127	3.9
171.08002	1.9
175.11189	3.7
181.06602	1.0
183.08051	1.8
185.09682	0.9
187.07500	1.0
187.11206	3.5
192.90538	0.8
195.08084	10.1
197.09622	3.7
199.11143	6.3
201.12938	0.8
208.08784	1.1
209.09639	3.8
211.11127	7.5
213.12773	6.7
215.14265	0.9
219.11717	0.8
222.10347	1.2
223.07529	4.9
225.12724	3.9
227.14346	2.9
229.12079	1.5
236.11905	3.3
237.12738	15.7
239.14224	1.2
251.07016	0.9
253.16008	1.7
255.10210	3.6
255.13815	3.7
255.17451	4.9
257.18881	1.7
267.17413	1.2
273.14853	12.7
279.17511	9.7
283.09631	9.9
284.10376	1.3
297.18491	10.6
308.08255	0.9
315.12292	9.7
315.19553	100.0
315.30844	1.3
322.75650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1957
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
55.05518	8.6
83.04986	52.1
95.08578	4.4
145.10156	4.9
145.81290	5.0
147.08029	10.5
159.08002	4.6
161.05966	34.0
167.21542	4.2
171.08118	5.4
173.09589	15.8
187.11235	7.6
195.08044	20.2
199.11246	22.8
213.90677	5.3
215.14380	18.3
217.12209	8.7
223.07553	29.4
240.07726	5.0
255.10155	22.4
265.08765	5.8
275.68903	4.0
279.17371	7.4
283.09662	100.0
297.18808	8.1
315.12231	57.3
315.19604	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	315.1957
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
51.43785	1.0
52.07624	1.2
57.07071	1.2
61.25614	1.3
62.29769	1.3
65.31828	1.4
67.05514	1.5
71.05038	1.3
72.00131	1.4
74.73500	1.3
79.05515	10.4
81.07068	62.0
83.04944	1.3
83.08622	1.7
83.16843	1.4
83.77415	1.3
93.07001	1.8
95.08620	3.1
97.06504	2.8
105.07010	1.7
109.06518	25.1
110.05500	1.9
111.08073	6.8
118.06869	13.4
119.08566	1.5
121.10144	1.8
133.06494	3.3
133.10104	1.8
145.06497	12.3
147.08015	16.1
149.09644	2.4
156.83963	1.5
157.06546	2.3
159.08047	2.4
161.06015	13.0
161.71519	1.4
171.08070	11.9
173.09610	9.0
175.11201	7.5
185.09653	2.7
187.11179	18.3
189.12787	49.3
195.08022	9.7
199.11250	6.5
203.10623	2.4
211.11281	2.1
213.09134	2.7
213.12744	46.6
222.06859	2.7
223.07626	11.3
225.12691	2.7
227.14386	10.0
237.09271	1.8
237.12755	2.9
239.14302	3.5
240.57771	1.5
251.07001	2.9
254.13257	1.6
255.10210	8.0
255.13751	16.8
269.18945	22.2
273.14880	17.7
283.09686	34.0
284.10501	1.9
287.20087	2.3
297.18497	57.1
306.61551	1.7
308.28976	1.6
315.12271	21.1
315.19568	100.0
315.24594	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	315.1959
Annotation	Cespihypotin R
Peak:m/z	Relative Intensity
53.22433	1.8
69.07071	3.5
75.82064	2.3
79.05495	2.7
81.07049	4.7
82.16485	2.8
93.07058	4.7
100.81653	2.2
105.07056	3.4
116.27205	2.2
121.10159	3.5
124.16034	2.6
134.36668	2.2
135.11649	2.5
145.06549	3.6
149.09621	15.1
161.05998	15.3
171.08078	15.8
172.87799	2.2
175.11198	3.5
187.07600	3.4
187.11349	2.8
189.12686	4.0
195.08099	10.1
199.11325	3.2
209.13371	2.7
211.11212	4.7
213.12756	3.7
223.07533	11.1
224.08449	2.5
227.14291	17.3
229.12251	12.0
237.12820	2.9
240.07806	4.3
251.07147	2.5
255.10097	5.4
255.13683	9.1
267.17538	3.2
269.19034	21.2
283.09677	30.2
297.15143	3.3
297.18503	13.3
315.12405	19.0
315.15799	4.2
315.19553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.196
Annotation	Jatrophatrione
Peak:m/z	Relative Intensity
53.16191	0.3
54.89737	0.3
55.62685	0.3
62.06109	0.3
63.26866	0.3
67.05497	0.4
69.07035	0.4
79.05517	0.4
95.08584	0.7
99.08066	0.8
105.07043	0.5
133.10104	0.6
138.47818	0.3
159.08003	0.7
161.06000	2.0
171.10243	0.6
187.07539	9.6
195.08049	1.4
213.12617	0.4
221.84714	0.4
223.07533	3.0
227.10585	0.5
229.12238	100.0
237.12627	0.6
240.07982	0.6
248.15106	0.4
251.07019	0.8
254.12851	0.5
255.10033	1.9
255.13667	2.7
268.07263	0.7
279.17224	0.5
283.09595	7.2
288.21622	0.5
293.73795	0.4
297.18521	5.1
315.08844	0.7
315.12326	6.0
315.19492	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	315.1955
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
53.32115	4.3
54.61847	3.8
70.15263	4.3
70.33400	4.1
72.08162	4.8
81.07017	4.1
95.08606	6.4
103.38052	4.4
109.10191	5.9
133.06445	5.9
143.97940	4.4
145.06468	20.1
146.81557	4.4
159.07968	5.9
161.05983	6.4
171.08037	5.9
187.11191	7.1
189.12810	5.6
211.11232	5.6
213.09174	10.2
213.12692	8.7
215.10631	5.1
223.07576	10.5
225.12883	5.1
227.14250	5.0
229.12262	10.2
237.12729	6.7
241.24826	4.6
251.07045	5.6
254.12904	7.1
255.10178	8.6
255.13779	29.5
269.18933	6.9
283.09647	42.3
297.18500	37.5
315.12234	27.1
315.19589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	0.3
70.23283	0.3
71.19055	0.3
72.04024	0.3
72.38696	0.3
79.32671	0.3
81.07054	0.4
91.46190	0.3
107.08583	0.4
111.47557	0.3
144.08046	1.9
149.09595	2.0
161.09673	0.4
161.64372	0.3
170.09619	5.5
171.08037	0.5
171.10406	2.3
175.11192	0.4
184.11110	0.4
187.03297	0.4
187.47092	0.3
187.85063	0.3
189.12715	0.3
202.14682	2.9
223.07504	0.4
227.14189	1.7
255.13464	0.4
255.15762	0.6
269.18854	0.7
279.17230	0.4
283.09644	0.6
297.18277	0.5
301.15054	0.4
315.17715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1703
Annotation	WIN VI
Peak:m/z	Relative Intensity
51.10017	0.3
52.63616	0.3
55.05504	0.6
57.92025	0.3
58.06613	3.0
70.06586	0.8
71.70011	0.4
72.08176	3.5
86.09687	1.6
91.05482	1.7
95.93708	0.3
98.06033	0.8
103.60233	0.4
107.04962	0.5
109.06435	0.4
130.06517	0.5
131.07303	12.8
132.08084	2.3
133.02814	0.6
133.06482	0.4
144.08086	25.1
158.09647	7.5
159.10431	0.6
160.07555	7.8
167.07001	0.4
171.06804	0.5
171.93303	0.4
173.08342	0.8
175.91554	0.4
184.11226	2.1
197.10733	0.4
198.09146	0.6
201.10237	1.8
212.10718	8.6
215.11838	2.1
216.12585	22.8
221.71040	0.5
226.12259	1.4
230.11760	73.2
254.02112	0.4
254.11810	0.7
256.34979	0.4
272.12897	3.0
274.01489	0.7
315.17023	100.0
318.09021	0.4
329.21646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1706
Annotation	WIN VI
Peak:m/z	Relative Intensity
51.70474	0.2
55.05529	0.3
67.05533	0.2
70.06585	0.6
72.08146	1.4
74.59995	0.2
84.08152	1.0
86.09694	1.1
91.05474	0.3
93.07059	0.3
95.08586	0.3
102.33878	0.2
107.04959	2.8
109.06530	0.4
115.40883	0.2
120.08099	1.6
120.28230	0.2
122.09659	0.3
129.10222	0.5
132.08067	0.5
135.04420	0.4
144.08096	39.0
145.08867	0.4
148.07584	2.5
153.05458	1.1
157.08878	7.9
158.09650	5.1
160.07568	0.3
169.08664	0.3
170.09604	2.5
171.10403	1.1
172.11121	0.3
173.10744	0.5
184.11302	0.3
186.11259	0.4
187.08678	1.4
187.12314	0.5
188.12999	0.4
196.11189	0.5
197.10640	0.3
199.12311	0.4
200.09349	0.3
201.10249	4.6
213.10243	0.3
215.11801	4.7
216.12630	4.7
217.01329	0.2
224.10724	5.1
224.14265	0.3
226.15700	0.3
230.11736	0.4
238.58357	0.3
252.13829	1.4
254.11737	0.4
269.16504	5.7
270.14822	0.9
279.15042	0.5
287.17532	2.1
297.16010	0.4
300.14667	1.1
315.17032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.7
57.03428	1.1
65.18434	0.8
67.05505	1.4
69.03407	0.9
70.06570	5.0
72.08158	11.7
76.04696	0.9
76.07608	1.4
79.05505	14.4
80.42989	0.9
81.03400	4.7
81.07073	17.3
82.06541	0.9
83.06052	1.4
84.04512	57.4
84.08115	3.6
86.09672	4.9
86.20196	0.9
88.04012	1.0
93.07024	1.5
94.06557	9.6
95.04947	1.5
95.08575	6.2
97.10131	1.3
98.06025	1.4
102.05509	5.6
105.07056	11.2
107.04948	2.1
107.08602	63.1
108.04489	8.7
109.06485	3.9
110.06041	16.2
111.04376	0.9
116.07084	3.5
122.09674	11.3
123.08063	9.1
124.11206	3.4
125.09607	3.4
126.09102	5.6
127.03913	1.2
129.06563	5.6
130.04994	18.3
132.08009	1.6
133.06485	10.2
138.05443	6.2
140.10674	3.8
150.09161	48.6
151.07545	12.3
168.10184	31.5
186.11263	44.1
188.10716	17.3
197.44014	1.2
206.11754	13.5
208.05042	1.1
216.10104	4.3
218.14090	4.6
234.11226	15.5
251.13982	11.4
252.12315	10.9
269.07822	1.3
269.14804	1.5
279.13281	4.6
280.11725	1.1
297.14429	19.5
298.12891	11.7
315.15427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07074	0.6
70.02145	0.3
70.06594	29.0
72.08173	0.4
86.09703	8.9
87.00850	0.3
91.05476	0.5
98.97559	0.5
104.03480	4.4
105.07001	0.4
107.08602	0.5
108.08920	0.4
112.03970	3.8
116.03443	5.8
116.07090	100.0
118.07376	0.3
135.08043	2.3
136.08406	3.0
137.05927	0.3
145.08490	0.3
154.08650	1.3
161.05995	0.6
163.07558	0.3
164.07870	1.8
172.09679	18.1
194.32060	0.3
195.08154	0.4
200.09207	1.8
201.31120	0.3
213.09087	0.3
223.07648	0.7
237.02911	0.3
251.07013	0.6
254.09319	2.1
255.10239	1.3
271.09619	0.4
275.78101	0.3
283.09753	2.0
285.07535	0.5
300.09958	0.7
315.08871	0.7
315.12268	11.7
315.15579	0.9
315.19781	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	315.1341
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
65.03950	2.8
67.05514	15.5
71.04996	3.2
81.07064	1.3
81.13159	0.6
90.01990	0.5
95.04977	14.3
106.06538	0.8
109.06533	0.6
112.07598	2.6
113.06007	3.6
121.10113	0.7
131.00148	0.6
134.06015	1.2
136.07677	0.7
154.08656	3.6
161.07104	69.3
162.05510	15.1
162.06839	0.7
171.08063	1.3
173.09601	0.7
183.14381	0.6
187.11337	0.6
195.08220	0.9
197.09627	3.9
199.11128	0.7
203.08228	4.6
211.11217	2.5
213.10922	0.6
213.12628	4.7
222.10568	0.6
223.07402	0.9
225.12851	1.1
227.14360	0.8
237.12756	2.2
239.14384	2.4
240.08904	3.8
255.11176	3.9
255.17656	0.9
267.17435	0.8
269.19058	1.2
283.09747	3.5
297.12436	3.7
297.18393	1.3
315.13437	100.0
315.17776	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	315.134
Annotation	2-hydroxy-5-[(1E)-(2-phenylethylidene)amino]-L-tyrosine
Peak:m/z	Relative Intensity
64.98547	0.8
69.03433	0.9
70.06586	3.5
72.08150	4.7
84.04538	0.8
84.08170	1.3
84.97655	0.8
86.09704	1.2
98.14711	0.8
117.78636	0.8
143.92639	0.8
153.05424	1.2
163.03883	3.1
179.08580	20.1
181.06485	1.4
186.94395	0.8
189.06912	1.5
207.08060	64.1
217.06500	7.6
219.08144	0.9
223.07558	1.4
235.07550	47.3
235.64017	0.8
236.04672	1.2
237.08781	0.8
251.11751	1.7
252.10205	100.0
269.12860	3.1
283.09360	1.8
297.12317	38.1
298.10776	7.6
315.13385	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1222
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
50.27840	0.4
58.82524	0.5
65.92631	0.4
79.51795	0.5
80.61987	0.4
83.05024	0.6
93.79062	0.4
105.07021	0.7
107.04951	2.8
110.47560	0.5
110.74563	0.5
111.04440	0.5
112.14254	0.5
121.02856	0.6
123.04366	0.5
131.04926	3.0
131.91008	0.5
135.08032	1.1
137.05975	2.6
144.08063	2.3
147.04416	2.4
151.07541	1.9
153.05463	2.1
161.05963	9.3
163.07555	0.8
165.05507	0.5
165.06976	1.0
166.07828	0.7
167.08589	3.5
170.09729	0.5
175.03902	1.0
175.07549	0.8
177.06950	1.9
184.08961	0.6
189.96094	0.5
191.07048	2.9
193.06528	0.5
194.07242	2.2
195.08092	10.3
197.06004	0.6
205.06473	2.1
208.05220	2.0
209.09624	0.9
211.07486	2.1
212.08305	2.8
219.04478	0.6
222.06837	3.1
223.07536	9.0
224.08394	0.5
224.10707	0.6
225.05563	0.9
225.09160	2.4
226.09972	0.6
227.10539	1.2
230.11694	0.5
236.04524	1.0
236.08344	0.7
237.09146	3.6
239.07045	2.7
240.07796	6.6
241.08562	2.3
251.07059	6.4
253.08694	0.7
254.09364	24.3
255.10153	9.8
257.08105	3.1
265.08618	2.4
267.06619	1.0
268.07300	4.1
269.08060	10.2
271.09723	2.9
272.10446	0.5
279.06793	0.5
282.08838	5.1
283.09647	12.2
284.10312	1.0
285.07510	5.3
297.07565	6.9
297.11136	2.9
300.10004	8.9
315.12262	100.0
315.16653	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	315.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
56.05035	0.8
58.06620	0.7
59.70250	0.7
69.03419	0.8
69.07104	0.6
70.06605	4.4
72.08158	8.8
73.08485	0.5
74.02435	0.7
84.08154	4.7
85.40437	0.6
86.09710	3.2
91.05483	1.2
98.06055	0.6
107.04961	28.5
109.10137	0.9
111.10070	0.6
112.11227	1.1
114.10313	0.7
119.04953	9.3
121.02859	6.2
121.06564	0.8
123.04441	8.4
128.07091	1.3
129.10315	0.8
131.04921	3.3
131.12891	0.8
135.04419	1.0
135.08049	2.4
137.05974	0.9
145.02907	0.9
147.04414	100.0
159.04424	0.7
163.03918	8.2
164.04259	0.9
165.05466	0.7
167.03401	46.9
175.03925	18.1
176.04709	3.4
177.01823	4.1
177.05482	1.1
181.06538	1.3
183.08156	0.7
187.07556	0.7
193.05028	0.7
193.08562	0.8
195.02902	25.9
195.08105	0.9
199.05913	0.8
199.07535	3.6
205.06471	0.9
213.09125	3.0
222.11261	2.1
223.07619	5.6
227.07083	1.0
229.09276	0.8
233.06029	0.9
237.05490	0.7
237.09026	0.8
241.08623	8.7
251.06993	8.6
255.07025	0.6
269.08072	59.0
279.06558	2.9
297.07605	47.0
297.10657	1.7
306.15280	0.7
314.69681	1.0
315.08557	16.1
315.12878	2.3
315.16071	1.1
315.19196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	Salvianolic acid F
Peak:m/z	Relative Intensity
56.28255	0.5
66.03096	0.5
68.10683	0.6
68.57047	0.6
79.92821	0.5
85.03004	0.5
90.77576	0.6
92.18388	1.1
94.29128	0.5
107.04956	33.5
119.04999	3.0
121.02869	8.6
123.04463	0.7
131.04906	4.0
147.04416	28.9
148.91057	0.7
163.03926	0.9
167.03444	3.7
171.07953	0.8
175.03903	25.4
176.04697	4.5
177.01816	4.8
181.06497	0.9
195.02899	2.4
195.08060	1.1
199.07516	5.5
213.09192	3.0
223.07552	6.5
226.06328	0.9
233.06010	2.7
241.08574	11.6
251.07014	12.7
251.52521	0.6
269.08069	100.0
279.06488	4.9
297.07578	97.5
315.08578	4.4
327.91928	0.6
335.79843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	Salvianolic acid F
Peak:m/z	Relative Intensity
60.86037	0.5
61.04403	0.5
81.23517	0.7
88.11440	0.6
107.04961	31.9
107.74380	0.6
119.04932	1.2
121.02856	7.2
123.04407	0.8
131.04910	7.9
141.50476	0.5
147.03204	1.0
147.04405	28.0
155.81845	0.5
159.62770	0.5
167.03419	3.9
175.03899	22.0
176.04659	4.9
177.01842	3.9
195.02921	1.3
195.08076	2.3
199.07509	5.2
205.06415	0.9
213.09140	3.0
223.07527	7.8
233.05914	2.6
234.19286	0.6
234.72006	0.6
241.08542	12.1
251.07043	8.1
255.06425	0.7
269.08075	90.2
274.43808	0.6
279.06482	4.2
283.09744	0.8
297.07578	100.0
315.08575	4.7
315.14493	0.9
315.19608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	Salvianolic acid F
Peak:m/z	Relative Intensity
54.35603	0.4
56.15499	0.5
56.75671	0.4
59.80269	0.4
99.91762	0.5
107.04955	27.8
115.44492	0.5
119.04933	0.9
121.02866	5.4
122.37064	0.5
123.04337	0.7
131.04898	2.5
147.04410	25.5
163.03925	0.7
167.03297	3.5
175.03911	20.2
176.04694	3.2
177.01811	3.0
177.71071	0.5
181.06438	1.0
193.21426	0.6
195.02885	1.1
195.08044	1.2
199.07497	4.4
201.90311	0.6
205.06425	0.7
213.09143	2.2
223.07530	5.9
233.05969	1.2
241.08542	9.6
251.06978	9.3
269.08072	78.0
270.97894	0.5
279.06580	4.4
297.07574	100.0
309.77679	0.6
315.08618	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	315.0863
Annotation	Salvianolic acid F
Peak:m/z	Relative Intensity
53.39446	0.7
55.01882	1.0
64.89089	0.9
74.07258	0.8
75.40086	0.9
78.98277	0.8
107.04961	35.8
117.05502	0.9
119.04928	1.4
121.02857	6.9
123.04411	1.7
131.04967	6.7
135.08063	1.3
144.08125	1.5
147.04404	28.0
151.07611	1.2
152.06255	0.9
161.05954	6.1
163.03943	1.2
163.07623	1.0
165.07005	1.4
167.03360	5.3
167.08563	1.5
175.03914	19.0
175.07513	1.3
176.04631	4.7
177.01787	4.0
177.05515	1.1
177.06985	3.3
181.04994	1.0
181.06496	1.4
191.07031	1.5
193.06516	0.9
194.07216	1.5
195.08084	12.3
197.05855	0.9
199.07523	4.0
205.06476	3.4
208.05086	1.1
209.09552	1.0
211.07458	1.0
211.40129	1.1
211.97809	0.9
212.08302	3.6
213.09084	3.3
222.06741	3.4
223.07552	15.6
224.08311	1.4
225.05505	1.0
225.09029	1.5
226.06367	1.0
227.10764	0.8
232.98315	0.9
233.05951	1.9
236.04665	1.3
237.09135	2.0
239.06981	1.8
240.07748	8.2
241.08585	11.5
251.07021	15.5
254.09282	7.0
255.10146	10.0
265.08633	1.3
268.07315	1.6
269.08072	81.0
279.06546	4.2
282.08960	1.2
283.09671	10.8
285.07593	4.9
297.07587	100.0
297.10974	4.8
300.09827	4.4
315.08856	4.2
315.12256	65.0
315.16858	9.7
315.19696	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31100	0.6
51.71147	0.6
52.62623	0.5
55.05517	0.6
60.05663	0.7
66.10960	0.7
67.05505	3.5
67.54815	0.7
68.05037	0.9
69.03429	0.7
69.07075	2.5
70.06602	77.5
71.05011	3.1
72.08174	0.8
79.05497	6.3
81.07076	4.0
83.08624	1.2
85.06543	3.7
86.06059	5.2
86.09738	0.8
87.04461	1.7
88.07661	0.7
91.05476	3.1
92.17812	1.5
93.07056	32.9
94.07394	0.9
95.04987	1.6
95.08620	13.7
97.06564	0.7
98.06078	10.9
105.07037	1.3
107.08613	20.2
109.10163	1.2
110.06049	0.8
111.08082	0.9
111.63935	0.7
112.08746	31.8
114.06277	0.7
119.08563	1.2
121.10147	2.6
122.10428	0.7
126.05550	0.9
130.09775	16.5
131.04968	0.9
132.05255	0.9
133.10123	1.1
135.08052	0.9
135.11714	2.3
137.09703	0.8
142.08636	1.4
144.08130	1.6
144.11313	10.4
147.11652	2.8
151.07608	0.7
152.07904	1.3
154.08664	1.1
157.10149	0.9
162.12451	1.2
164.93034	0.7
170.09743	5.7
171.10428	3.0
177.05507	1.2
193.08260	1.3
202.14676	4.4
210.12090	4.2
218.15071	0.6
236.16496	1.1
260.16489	1.3
264.16016	2.9
264.20697	4.2
265.16302	4.4
278.17551	9.0
282.19055	1.1
282.21762	7.4
287.21252	7.7
296.19586	5.2
296.23346	13.2
314.07211	0.9
314.19904	23.7
314.24420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.7
57.03456	1.1
60.05634	4.6
67.05498	4.9
69.07072	4.5
70.06596	84.7
71.05000	10.7
72.08155	1.5
75.04475	1.7
79.05494	6.6
81.07063	9.2
82.06584	1.2
84.04510	1.0
84.05635	7.2
85.06564	7.7
86.06072	12.6
87.04501	8.8
88.07635	1.8
91.05467	7.3
93.07049	43.7
94.07372	1.8
95.04952	1.8
95.07718	1.3
95.08601	12.6
97.06572	1.3
98.06059	35.7
100.07613	1.8
105.07021	1.5
107.08596	20.1
109.06540	1.8
109.10146	4.3
111.08078	1.8
112.08746	23.9
116.07095	4.5
119.08588	1.8
121.10139	16.6
122.10477	2.5
123.08002	1.3
126.05569	1.2
128.07140	1.0
130.09764	45.5
131.08546	1.7
133.10075	1.1
135.11681	2.2
136.07616	1.2
142.08598	2.6
144.11298	8.0
146.09210	7.4
147.09648	4.1
147.11678	7.1
148.07558	5.4
148.09721	1.8
148.10847	4.8
149.09599	1.1
150.09175	1.4
154.08603	4.8
154.09769	16.3
157.10127	1.7
161.70598	1.1
165.12784	1.7
170.09596	1.8
175.11174	4.3
193.12325	2.2
236.16475	1.4
250.18182	1.2
254.17520	2.6
260.16565	5.0
264.20648	1.9
278.17435	20.2
282.21713	10.1
296.19693	58.2
296.23267	10.7
314.20242	100.0
314.24423	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05907	0.4
60.18475	0.4
65.72567	0.4
65.91750	0.4
67.61234	0.4
70.06462	2.8
71.04857	4.1
84.05484	13.8
84.06033	2.4
92.18547	0.9
93.06929	0.9
112.08572	0.5
115.14391	0.5
121.10041	1.0
130.09599	2.8
136.08548	2.9
136.09531	0.5
149.09525	0.5
154.09760	46.4
172.10707	2.7
226.15436	2.2
236.16408	0.6
254.17479	1.9
267.09622	0.5
278.18665	7.7
284.83908	0.5
296.19693	100.0
314.20773	56.8
314.24484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12442	0.6
55.05511	1.5
69.07052	0.7
69.61607	0.6
70.02964	0.7
70.06604	11.4
72.08163	39.2
79.05486	1.6
80.04990	0.9
81.07049	0.9
84.04475	4.1
84.05595	1.2
84.08137	8.3
85.02113	0.6
85.04010	4.5
86.09674	2.8
88.04005	2.0
89.10736	0.7
91.05460	1.2
93.07005	2.6
95.04939	0.7
97.04002	1.3
97.06487	3.8
98.06039	4.6
99.05534	0.8
100.07568	1.1
103.05412	0.8
105.07024	9.2
107.08598	24.0
108.04441	0.9
109.10117	0.7
110.07167	0.7
114.09177	1.1
115.08719	5.7
116.07062	4.7
121.10121	0.9
126.05497	3.2
127.08692	18.3
128.07022	0.9
133.06485	13.4
134.04478	4.0
135.08064	8.1
139.08670	9.2
143.05998	0.8
147.08032	1.1
148.11276	0.9
151.07484	0.9
153.09062	2.5
155.08101	1.1
161.05975	32.4
162.09077	2.4
164.10757	1.2
165.10237	1.1
169.06000	3.2
171.14851	1.0
176.10596	1.3
177.10149	1.4
179.11819	0.7
181.03206	0.7
181.06026	0.9
182.11726	1.1
191.11786	4.2
193.08623	17.1
194.11682	3.2
199.14420	1.3
208.09691	4.1
219.11240	4.1
222.12437	0.9
223.10797	10.0
225.12337	1.0
232.09753	0.9
233.16420	3.4
235.18050	6.6
236.16441	0.8
237.12357	12.6
240.13440	9.7
250.10675	4.7
261.15973	3.4
264.63797	0.7
268.11682	2.7
279.17032	96.2
296.19684	100.0
297.18082	8.7
314.12286	3.7
314.20645	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	314.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
69.07062	1.2
70.06599	11.3
72.08160	40.5
73.08487	4.8
74.60360	0.9
84.05634	4.0
84.08145	10.7
85.04023	8.6
87.04455	1.2
93.07056	2.2
95.33504	1.1
97.04018	2.6
97.06544	1.2
98.06071	4.5
102.92130	1.2
107.08592	4.3
115.08710	6.0
119.08595	1.4
121.10134	1.8
125.09732	1.1
127.08672	17.3
135.08028	3.9
139.08682	13.5
153.09189	1.2
162.09100	2.2
164.10635	1.6
165.10309	1.5
169.06091	2.3
176.10764	1.4
181.06161	1.8
186.03041	1.0
190.08659	4.2
191.11848	7.8
194.11786	6.5
197.14604	1.2
208.09717	4.6
219.11331	5.7
223.10805	6.7
233.16483	6.1
235.18130	2.6
236.16679	1.8
237.12389	17.9
240.13454	6.6
240.23782	1.1
242.14938	1.9
243.15286	6.7
261.15936	2.2
279.17035	100.0
296.19696	65.6
297.18042	14.2
314.15118	13.4
314.20459	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
60.05647	0.5
60.25325	0.5
69.03437	1.0
70.06589	5.0
71.04995	25.2
72.08129	2.1
79.05477	1.1
81.07073	0.5
81.61044	0.5
82.06573	0.9
84.04521	0.5
84.05621	2.7
84.08130	1.2
91.05489	1.1
93.07034	2.5
95.08604	0.8
99.11204	0.6
100.07622	60.0
105.07029	1.0
106.68714	0.6
107.08601	1.9
109.10156	0.5
112.07570	1.1
113.09355	0.6
121.06564	0.9
121.10123	1.2
130.08736	0.6
130.09732	4.1
131.08566	0.6
142.09882	0.6
144.07710	1.0
149.09645	1.0
150.10226	0.7
154.09731	2.0
157.07594	0.9
172.09648	3.2
172.10858	3.0
182.45694	0.5
184.10802	0.8
190.10736	0.9
196.10855	2.1
208.10918	0.6
214.11852	7.0
218.15347	0.5
230.14992	0.5
232.12943	23.7
236.16447	1.0
254.17566	2.0
278.18610	1.1
296.19705	13.0
314.20731	100.0
333.52148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
69.07062	1.2
70.06599	11.3
72.08160	40.5
73.08487	4.8
74.60360	0.9
84.05634	4.0
84.08145	10.7
85.04023	8.6
87.04455	1.2
93.07056	2.2
95.33504	1.1
97.04018	2.6
97.06544	1.2
98.06071	4.5
102.92130	1.2
107.08592	4.3
115.08710	6.0
119.08595	1.4
121.10134	1.8
125.09732	1.1
127.08672	17.3
135.08028	3.9
139.08682	13.5
153.09189	1.2
162.09100	2.2
164.10635	1.6
165.10309	1.5
169.06091	2.3
176.10764	1.4
181.06161	1.8
186.03041	1.0
190.08659	4.2
191.11848	7.8
194.11786	6.5
197.14604	1.2
208.09717	4.6
219.11331	5.7
223.10805	6.7
233.16483	6.1
235.18130	2.6
236.16679	1.8
237.12389	17.9
240.13454	6.6
240.23782	1.1
242.14938	1.9
243.15286	6.7
261.15936	2.2
279.17035	100.0
296.19696	65.6
297.18042	14.2
314.15118	13.4
314.20459	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34271	0.4
55.28579	0.4
56.87535	0.4
58.72532	0.4
63.40191	0.4
70.06593	7.4
71.04992	5.8
84.05630	15.2
84.93504	0.5
92.09377	0.4
93.07060	5.3
96.60728	0.4
107.08596	0.5
112.08727	1.1
114.09170	0.7
120.81451	0.5
121.10144	3.3
130.09766	5.3
136.08736	3.1
154.09755	54.3
165.69817	0.5
170.09494	0.7
171.09528	0.5
172.10828	1.0
206.62389	0.5
220.10745	0.5
226.15482	2.7
232.09883	0.5
254.17615	0.8
278.18607	8.5
296.19681	100.0
314.20770	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17174	0.3
55.05549	0.3
55.90920	0.3
60.05648	0.4
69.07056	0.4
70.06597	7.6
71.05038	0.5
72.08172	0.6
81.07069	0.5
84.05612	3.3
84.27922	0.4
86.06073	2.8
86.09715	0.7
87.04491	5.0
91.05479	0.6
92.33418	0.4
93.07044	1.7
94.80351	0.4
98.06056	17.5
100.07590	0.4
104.07127	0.8
107.08606	0.6
109.06527	5.1
109.10168	2.4
116.07098	59.2
123.11724	0.4
128.07088	0.9
128.08136	0.5
133.10168	0.6
146.08138	2.1
146.09222	10.5
151.11221	0.7
168.57220	0.5
170.09276	2.6
190.10750	3.0
196.10869	0.7
214.11826	4.9
215.10387	0.5
223.52792	0.4
226.15475	1.0
232.12915	23.3
236.16611	0.4
254.17537	0.8
272.18677	0.9
278.18820	0.5
296.19647	4.6
297.17935	0.5
314.20728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93967	0.5
53.96667	0.6
55.21520	0.6
59.65679	0.6
60.05650	1.4
70.06594	9.7
71.04996	5.0
72.08142	1.6
75.04485	1.2
79.81915	0.6
81.07047	1.1
84.05633	16.7
84.99518	0.6
90.73371	0.6
91.05511	0.7
93.07043	13.6
98.06094	0.8
100.07641	0.7
107.08595	0.7
112.08737	1.3
115.84377	0.7
121.10140	6.1
123.11694	1.0
128.15488	0.7
130.09784	15.8
131.08577	0.8
133.62987	0.8
136.08734	2.8
146.09302	3.0
148.10849	3.1
149.09688	0.7
154.09753	48.5
170.09238	1.0
171.09731	0.8
172.10944	2.8
211.59755	0.7
226.15549	1.2
278.18628	6.9
282.21820	0.7
296.19693	100.0
314.20786	76.2
314.24344	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	314.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.4
69.03419	0.4
70.06589	2.9
72.08159	10.6
73.08478	1.2
75.24776	0.2
79.05502	2.6
80.74299	0.2
85.49576	0.3
88.03988	0.4
91.05463	2.7
102.40093	0.3
105.07043	1.6
107.04951	2.6
107.08603	15.8
108.05293	0.5
109.06513	1.4
110.07172	6.5
111.07528	0.3
114.07417	0.3
115.05485	2.2
117.07025	5.6
134.04485	1.0
135.08058	100.0
163.07533	37.0
164.04228	0.3
165.05428	0.3
168.47797	0.3
170.53662	0.3
175.07520	0.6
176.07898	0.3
181.08601	10.5
314.12308	1.7
314.17365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99692	0.3
69.81030	0.3
79.05501	1.6
88.03983	0.5
91.05469	3.0
92.18465	0.8
105.07018	1.8
107.04943	2.2
107.08599	17.4
109.06537	0.8
113.46954	0.4
115.05450	0.9
117.06997	3.8
118.61922	0.4
119.06061	0.4
134.04509	1.7
135.08060	100.0
155.82211	0.3
163.07532	35.1
165.05467	0.6
166.05023	0.6
181.08597	12.9
225.03831	0.7
270.09262	0.8
273.05951	1.3
299.09314	0.6
314.08231	0.8
314.12115	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	314.106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
68.41762	0.5
70.06593	1.9
72.07809	0.4
72.08163	7.2
79.05491	0.9
85.02849	0.5
91.05505	0.4
98.06037	0.6
99.32114	0.5
103.05476	1.1
105.07043	29.2
107.08588	4.0
115.05449	4.1
115.19176	0.4
116.07123	0.6
118.04175	0.8
123.04559	0.5
127.08686	3.7
132.98441	0.4
133.06500	44.9
134.04562	0.4
135.08051	0.6
139.08644	0.5
143.04980	0.9
143.06041	3.4
152.05678	1.0
161.05981	100.0
193.08617	55.9
222.12607	0.5
223.10753	1.0
235.18132	0.8
237.12215	1.7
240.13478	0.9
247.17914	0.4
276.93335	0.6
279.17038	15.8
296.19711	16.4
314.20279	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	314.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	8.2
58.99590	0.6
59.02536	0.4
63.36899	0.4
67.05466	0.5
68.05025	0.6
76.02217	2.3
79.05448	0.6
84.08147	0.5
86.09679	0.7
86.99055	0.5
88.03983	1.2
88.38195	0.4
89.06022	0.7
103.03922	0.7
103.05462	2.4
105.00106	0.9
105.07027	9.4
107.04951	0.6
107.08598	0.7
114.03754	5.4
115.05439	1.1
115.40917	0.5
131.04939	9.5
132.05705	14.3
133.06491	16.8
137.04193	0.9
143.06096	1.6
147.02626	2.7
147.04344	0.7
149.05988	0.6
150.01332	7.2
160.04218	11.1
161.00516	0.9
161.05963	20.7
163.02151	2.5
165.03690	35.4
167.07030	54.5
178.00826	9.1
178.06302	0.6
184.01917	0.6
191.07043	4.9
192.07828	12.4
193.03189	29.4
193.08607	100.0
195.01155	2.5
210.03433	1.9
223.04266	1.0
225.05814	23.2
250.10722	0.6
251.26846	0.5
296.11343	0.6
297.07870	6.7
297.15421	0.9
297.80383	0.5
314.10233	7.2
317.05505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.092
Annotation	Neoamphimedine
Peak:m/z	Relative Intensity
61.01152	0.5
69.03442	0.6
70.06595	0.5
81.30381	0.3
83.09948	0.3
84.05629	0.3
95.06091	0.8
97.02898	43.9
115.08632	0.4
116.07097	0.4
136.06195	100.0
139.10962	0.4
143.01640	2.4
152.05713	0.8
161.02626	0.5
162.07800	0.4
163.25127	0.3
164.05673	5.8
178.07262	2.4
179.03754	2.7
202.69864	0.4
211.14433	0.7
248.07771	0.5
278.07104	0.6
296.08261	4.0
314.09174	22.9
314.12866	0.8
314.18225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
75.78470	1.3
82.84646	1.3
143.63258	1.2
162.22369	1.3
199.17305	1.4
201.13879	1.4
238.35667	1.2
255.55438	1.4
298.37582	1.5
314.06326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03552	1.3
55.05505	8.5
57.03455	12.4
57.07087	49.2
67.05485	9.9
69.07076	17.7
71.08640	36.2
79.05478	7.3
81.07058	24.7
83.04961	1.6
83.08613	16.6
85.10189	13.0
87.04477	1.9
89.91093	1.6
93.07044	11.9
95.08597	24.6
97.06503	3.0
97.10154	11.2
99.08086	14.0
108.03542	1.9
109.10121	9.0
121.10155	8.7
134.02313	1.6
139.11168	10.6
155.27637	1.9
157.12245	92.6
166.36133	2.0
174.83842	1.7
211.95370	2.1
313.23587	17.0
313.27295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03122	0.6
55.05503	3.8
57.03188	0.9
57.03445	15.0
57.07086	40.5
62.44062	0.7
64.50286	0.6
67.05513	6.8
69.07079	8.1
71.08635	28.6
74.17540	0.7
81.07070	9.4
83.08626	7.0
85.10191	14.7
87.04426	1.0
89.06017	1.3
95.08613	13.1
97.10168	4.3
103.07550	0.8
109.10157	7.7
121.89081	0.6
123.11708	1.4
134.01550	0.7
137.13368	0.7
159.77299	0.7
239.23775	0.7
257.24738	3.8
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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.8
53.67902	0.7
55.05523	4.8
57.03199	0.8
57.03448	13.9
57.07082	39.2
67.05215	0.6
67.05510	8.8
69.07071	7.7
70.82006	0.7
71.08631	30.8
81.07065	10.8
83.08619	8.3
85.10191	16.9
89.05989	2.7
92.12995	0.6
95.08604	15.1
97.10157	4.8
100.07612	1.6
103.07574	1.5
105.23363	0.7
109.10163	7.6
123.11670	2.9
154.94180	1.0
239.23656	1.1
257.24677	1.5
261.21558	0.7
272.25970	2.8
295.16953	0.7
301.64145	1.2
313.17657	3.3
313.27362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
56.05056	5.4
57.03443	0.9
57.06839	0.6
57.07088	14.2
58.06613	8.9
60.45038	0.6
69.07053	2.5
70.06602	2.0
71.08633	10.6
72.04514	5.8
72.08132	1.0
74.06076	0.7
77.34629	0.6
78.57534	0.6
78.61302	0.6
84.04502	0.8
85.10160	4.2
88.07600	2.8
95.08582	0.6
97.10073	0.6
98.06081	0.9
101.07175	1.0
102.05557	6.9
105.79200	0.7
116.07087	4.7
123.89611	0.7
126.65653	0.7
128.03366	1.1
149.13141	0.7
212.23740	100.0
228.23274	1.3
240.23199	11.8
242.24699	0.9
252.23213	3.3
269.25900	5.0
270.21640	1.1
270.24304	27.1
313.24734	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.7
55.05508	11.4
67.05517	19.4
69.07061	10.5
71.08609	4.4
79.05475	4.3
81.07053	21.7
83.04951	3.2
83.08624	11.3
87.37601	2.1
91.05469	4.8
93.07026	10.4
95.08584	10.8
97.06519	5.3
97.10170	9.4
99.08096	4.0
105.07063	3.6
107.08572	9.2
109.10154	11.2
111.08083	4.7
119.08551	4.8
121.10139	3.1
123.11703	3.0
131.04918	4.2
133.10075	3.1
135.11702	5.2
139.11232	2.6
143.00136	2.5
147.11674	10.9
149.13281	3.1
151.11209	4.5
161.05907	3.1
165.12711	4.3
165.78387	2.5
173.11768	4.5
176.65253	2.2
195.13835	2.7
210.06671	4.7
221.05910	3.8
223.07463	3.0
225.09152	12.0
227.07076	4.4
238.06073	2.5
253.08621	5.4
254.09435	2.6
255.06583	3.5
267.10159	4.9
269.08054	3.8
270.08853	18.5
277.21634	30.3
285.11249	10.3
295.22528	23.2
298.08426	3.4
313.07205	5.0
313.10718	100.0
313.18106	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	313.2374
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
51.74152	1.1
55.05512	6.1
57.03437	2.0
57.07076	6.6
61.21665	1.1
66.61891	1.6
67.05502	2.9
69.03432	1.6
69.07069	11.7
71.08638	17.2
72.58033	1.2
79.05488	1.8
81.07073	11.2
83.04985	2.2
85.02901	6.5
85.22586	1.2
87.04459	1.3
90.50957	1.3
93.07057	9.9
95.08613	9.9
97.06520	2.7
97.10157	7.9
99.08109	13.7
111.11757	1.7
121.10156	9.4
139.11192	9.9
157.12239	100.0
163.43018	1.3
179.14307	1.7
295.22690	9.1
302.38065	1.4
313.17694	2.4
313.23685	10.3
313.27359	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	313.2376
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.05510	5.8
57.03436	2.5
57.07092	17.9
61.01392	1.5
61.74377	1.1
67.05524	13.3
69.07055	7.8
71.08286	1.6
71.08645	41.5
79.05502	6.6
81.07069	16.9
83.04966	2.0
83.08624	9.7
85.10204	18.3
91.05482	2.7
93.07044	6.1
95.04963	5.7
95.08622	23.7
97.06511	2.5
97.10159	3.2
99.08113	30.7
103.83566	1.5
107.08614	7.5
109.10155	13.1
113.09634	8.3
119.08564	3.2
121.10154	6.3
125.09595	2.0
133.10124	9.8
135.11656	1.9
147.11690	2.8
151.11220	5.8
153.76344	1.6
161.09554	1.5
163.68362	1.3
165.12753	20.4
179.14386	2.0
197.13699	2.3
197.15379	20.4
244.60794	1.5
272.26047	2.3
277.21667	31.2
295.22726	100.0
313.10898	2.8
313.17789	9.6
313.23901	3.3
313.27316	37.4
314.04468	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	313.2375
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
52.79322	2.7
52.91854	2.8
55.01881	14.2
55.05520	19.0
57.07087	6.3
61.00632	3.8
67.05506	26.8
69.07081	12.8
71.08628	18.9
76.57845	4.4
79.05498	16.2
81.07065	33.6
83.04994	6.2
83.08625	31.6
85.10187	22.0
91.05482	18.6
93.07042	22.3
95.05027	3.7
95.08616	31.9
97.06547	15.4
97.10180	6.8
99.08102	15.6
105.07038	13.9
107.08615	13.6
109.06502	4.3
109.10164	20.1
111.08103	29.0
111.58858	3.2
113.09628	16.0
119.08568	14.0
121.10126	22.0
133.10155	13.6
135.11713	12.6
137.09666	4.8
139.11165	5.9
141.12732	4.9
145.10098	5.5
147.11696	17.5
149.09621	3.8
149.13266	5.1
151.11136	4.9
159.11641	3.4
161.13309	8.3
163.11270	4.6
165.12773	18.0
171.11731	4.4
180.29570	3.3
185.13254	4.5
259.20612	6.8
277.21683	66.9
295.22757	100.0
310.24823	3.5
313.10779	25.0
313.14127	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	313.2376
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
55.01869	1.3
55.05527	6.2
57.03442	5.0
57.07086	3.3
67.05516	20.6
69.07079	7.1
70.89536	0.8
71.04994	5.3
71.08640	27.3
74.29482	0.7
78.40469	0.8
79.05508	9.1
81.05890	0.8
81.07059	14.1
83.04985	5.6
83.08627	9.8
85.06548	3.5
85.10191	1.0
91.05481	4.0
93.07047	11.8
95.04983	1.5
95.08611	9.1
97.06532	4.1
97.10164	10.5
99.08102	15.6
105.07024	4.1
107.08602	11.5
109.10172	13.9
111.08070	3.3
117.06993	1.2
119.08604	5.9
121.10143	6.4
123.11715	3.5
125.09615	5.7
127.11222	8.1
131.08598	0.9
133.10141	7.2
135.11716	10.5
137.09665	1.3
141.12755	56.1
145.10149	4.0
147.11676	1.8
149.13277	1.4
151.11206	5.8
153.12741	5.5
157.10083	0.8
159.11705	1.1
161.13246	4.0
161.41489	1.0
161.66479	0.8
163.11172	10.7
163.14928	0.9
165.12762	3.8
169.12280	11.3
179.14330	4.0
189.11209	1.6
199.11299	1.0
231.21051	1.4
232.70053	0.9
236.57359	0.9
241.19426	0.9
259.20590	3.6
277.21609	34.6
295.22687	100.0
313.10660	1.9
313.18124	1.6
313.23633	4.7
313.29501	1.1
330.43790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2376
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.79222	2.3
53.96524	2.3
55.05512	16.1
57.03434	5.0
57.07086	22.3
67.05496	13.3
69.07068	30.5
71.08636	21.6
79.05495	6.7
81.07066	29.1
83.05001	2.8
83.08615	13.2
85.10177	3.3
91.03308	3.1
93.07047	14.2
95.08603	26.2
97.06538	5.9
97.10186	19.7
99.08086	20.3
107.08616	4.5
109.10168	4.8
111.11697	4.2
120.23495	2.8
120.87713	2.7
121.10161	15.1
123.11643	3.3
135.11758	3.5
135.45384	3.1
139.11172	13.9
142.21271	2.6
151.11182	2.5
157.12242	100.0
167.20174	2.8
263.23685	5.3
292.65540	4.5
313.23679	11.8
313.27264	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
55.01868	1.9
55.05525	14.3
57.03436	5.2
57.07049	1.7
64.29118	1.2
67.05182	1.7
67.05510	28.6
69.07067	10.1
71.04979	5.9
71.08626	16.2
77.16986	1.3
79.05495	11.4
81.03414	1.6
81.07056	19.7
83.05000	4.4
83.08625	17.1
85.06530	6.1
91.05465	5.4
93.07051	14.8
95.04993	2.3
95.08610	11.9
97.06527	5.7
97.10168	22.1
99.08092	16.1
105.07024	6.7
107.08594	20.1
109.10165	22.1
111.08031	1.7
119.08576	9.6
121.10115	7.2
121.70191	1.4
123.08083	1.7
123.11729	2.1
125.09626	13.8
127.11195	6.1
131.08577	2.1
133.10129	6.4
135.11679	11.1
137.09636	1.8
141.12750	51.9
145.10103	2.9
147.11737	2.1
149.13286	1.9
151.11157	6.0
153.12737	8.6
155.10703	2.2
161.13287	2.9
163.11201	7.6
165.12788	1.5
169.12271	8.5
171.10231	2.1
173.11775	5.7
179.14339	2.5
181.12274	1.6
189.11238	10.8
189.12656	1.5
231.21193	2.3
259.20532	3.3
272.06152	1.5
277.21603	44.9
295.22684	100.0
313.10742	17.6
313.18060	6.5
313.23743	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	313.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.6
57.03444	6.0
57.07087	17.2
59.54604	1.0
64.88933	1.0
67.05506	6.5
69.07066	6.3
71.08632	11.8
81.07064	12.2
83.08624	5.3
85.06541	1.8
85.10200	8.7
92.17902	1.3
95.08601	14.7
97.10193	1.6
109.10140	4.6
120.07102	1.2
123.11707	1.4
179.86710	1.1
313.23514	100.0
313.27396	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.82089	2.0
51.49660	2.0
55.05512	4.7
57.07071	4.9
57.51812	1.8
60.64828	2.0
67.05496	12.3
69.07062	8.6
73.66996	1.9
79.05505	4.8
81.03437	3.1
81.07059	13.9
83.08607	4.6
85.10192	15.3
91.05481	3.1
93.07026	8.6
95.04964	7.8
95.08602	8.7
97.10197	3.3
105.06994	4.6
107.08619	8.0
109.10169	11.5
113.09621	3.7
119.08617	2.2
121.10169	2.7
123.08132	3.0
123.11711	3.0
125.09631	2.7
133.10129	11.0
135.11627	2.6
142.48518	2.1
143.00098	2.1
147.11691	2.9
161.01225	2.6
165.12750	12.8
168.08168	2.0
221.05511	2.0
268.10864	2.0
277.21585	21.7
295.22675	100.0
313.10663	4.8
313.17990	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	313.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10235	0.4
59.11363	0.5
60.05400	0.6
60.05660	8.8
60.12181	0.4
70.06573	2.4
72.08160	38.2
79.05499	3.9
81.07050	2.3
84.05652	0.8
91.05482	0.9
93.07071	4.1
96.04484	0.7
97.07626	0.7
105.07025	0.8
114.10280	6.5
119.08592	7.9
121.10120	3.5
123.04417	6.3
131.12944	3.8
136.11209	1.1
137.09618	0.6
138.06575	0.9
138.10242	0.9
147.08025	4.2
156.07698	5.8
164.10693	8.7
165.09113	7.9
168.10278	0.6
176.10689	5.6
178.13394	1.2
182.11751	0.8
206.12871	3.6
210.12334	5.5
218.15407	9.9
224.13994	6.6
227.15059	2.8
235.17973	1.0
242.14980	15.4
278.18515	0.6
295.21356	0.7
296.19730	1.8
313.22327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77749	0.6
53.77249	0.6
57.11240	0.5
63.86521	0.6
70.06586	0.8
72.08161	68.7
84.05636	35.6
97.02921	0.6
116.07083	1.5
117.51502	0.6
122.07143	1.0
138.05244	0.5
138.10242	1.1
140.08157	6.9
142.06099	5.0
151.03932	1.1
155.12904	10.2
163.03902	1.5
170.08195	0.8
188.11790	0.9
206.12856	4.6
211.15518	6.3
213.13478	7.4
224.13933	3.0
242.14995	23.6
272.05649	0.9
277.20200	3.2
295.17871	1.5
295.21222	14.5
313.22314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04546	0.7
60.05648	0.9
66.43776	0.5
67.09368	0.6
69.15846	0.5
71.05872	0.5
72.08163	52.5
84.05635	41.7
85.06438	0.6
89.86382	0.5
110.07178	1.2
113.09519	2.2
119.08586	0.8
123.04473	0.6
138.10265	3.5
140.59569	0.6
145.40872	0.6
155.12912	4.4
164.10674	1.3
165.09171	0.9
168.07674	0.7
178.13361	3.1
182.11876	0.6
206.12813	0.9
218.15408	1.3
224.13940	35.0
242.14983	17.9
278.18756	0.8
295.21292	19.9
296.19705	0.8
308.09436	0.6
313.22339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26857	0.5
54.18211	0.6
72.08162	43.3
84.05636	36.8
88.44671	0.6
97.69969	0.6
107.58936	0.6
110.07137	1.1
113.09490	1.5
124.86533	0.9
135.17662	0.6
138.10254	3.9
138.35619	0.6
155.12941	5.0
178.13403	2.9
189.53401	0.6
224.13927	50.6
232.07903	0.6
242.14984	9.8
250.16913	0.7
255.49860	0.7
278.18756	1.1
295.21283	38.0
310.17038	0.7
313.22324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.4
60.05639	2.0
70.06590	4.5
71.53311	0.3
72.08158	39.1
76.38433	0.4
84.05633	37.3
84.08135	1.7
84.96085	0.3
93.07060	0.4
96.05618	0.4
97.02914	0.4
98.97610	0.5
107.04950	3.0
110.07157	1.5
114.10254	1.9
115.08665	2.3
119.08556	2.0
121.94519	0.4
123.04428	0.5
129.07343	0.4
129.10222	1.9
131.12907	1.5
132.08083	0.6
133.08427	0.7
135.08063	1.6
138.10262	2.4
143.08130	0.8
145.12662	0.4
146.08112	0.6
147.08226	1.4
151.03880	2.6
155.12932	3.8
162.61507	0.3
167.39197	0.3
178.13353	2.0
180.14908	0.4
187.10684	0.6
187.18651	0.3
201.06200	0.4
224.04637	0.4
224.13942	23.2
242.12489	0.8
242.14987	23.1
278.18555	0.6
295.12946	0.5
295.21249	6.2
296.19522	1.5
297.19366	0.7
313.22321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2009
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
51.35720	5.1
52.13717	5.1
52.65197	4.9
55.05509	30.4
60.07203	5.1
67.05498	7.6
68.79649	5.8
69.07082	42.9
73.57179	5.6
79.05486	10.0
81.07066	57.8
83.08622	100.0
91.05490	10.6
93.07053	11.0
95.08599	15.1
96.17569	7.4
97.06529	22.1
100.74767	6.0
105.07030	10.6
107.08590	14.0
111.08096	46.4
121.10126	25.8
123.08053	31.4
123.51079	6.6
131.04904	9.0
133.10152	7.0
137.09630	13.8
139.07539	8.7
139.11180	11.8
147.08018	9.5
149.09607	11.6
157.08632	10.6
157.10097	7.2
159.08031	11.3
159.11670	6.0
165.09084	9.5
167.10678	27.2
175.09671	42.9
179.10651	10.2
185.09531	6.4
225.12752	31.8
257.19055	8.5
259.16928	12.6
267.00272	8.2
267.17368	9.4
277.17963	56.5
295.19089	82.5
313.10751	54.5
313.20370	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1802
Annotation	Hypolide
Peak:m/z	Relative Intensity
54.64700	3.1
55.01878	5.0
55.05518	5.1
57.07084	3.6
67.05527	25.5
69.07057	13.7
71.08630	4.8
72.38766	2.8
77.63997	2.7
79.05487	6.9
81.07053	27.2
83.08627	13.0
88.95227	2.7
92.18485	3.3
93.07052	23.4
95.04971	3.1
95.08607	6.1
97.10179	4.2
99.08075	2.8
105.07037	3.6
107.04957	3.3
107.08610	11.2
109.06500	5.3
109.10173	22.1
111.08032	3.1
121.06548	3.0
121.10167	12.8
125.05930	2.8
125.09654	6.1
131.04926	4.2
131.08517	3.5
133.06480	12.6
135.11693	3.9
139.11183	4.5
145.10164	4.6
147.08061	6.3
147.11699	4.4
149.09607	16.6
149.13254	4.2
157.09978	3.2
159.08093	15.7
159.52524	2.8
173.09610	6.7
173.11763	15.1
174.10448	4.1
175.11227	5.4
176.03938	3.0
183.08061	4.0
189.11252	3.4
189.12776	6.5
197.09673	3.4
199.11153	5.2
201.12733	7.1
207.11667	3.9
210.10486	4.2
211.07478	3.5
211.11327	5.1
213.12779	7.1
223.11212	12.2
225.09195	4.0
225.12810	19.9
226.09976	4.5
235.11113	4.9
241.12207	30.0
241.19514	3.3
249.04376	3.7
253.08945	2.6
253.09850	2.6
253.12201	26.1
253.16093	3.3
259.20700	3.4
267.17484	4.5
270.09021	3.7
271.13300	16.8
271.17081	3.2
277.21609	31.0
282.64194	3.4
283.16876	23.2
285.11322	3.7
295.16910	5.7
295.22571	28.4
313.10751	29.1
313.17911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1798
Annotation	TRIPTOPHENOLIDE
Peak:m/z	Relative Intensity
55.01248	1.4
62.86534	1.3
67.05500	2.2
71.08641	1.6
72.04490	1.4
81.07049	2.0
81.39700	1.4
83.08609	1.5
95.95979	1.5
119.08568	1.9
121.10155	2.1
131.04936	2.9
141.12796	2.5
151.11200	1.6
163.93471	1.5
187.07547	9.7
195.08176	2.1
221.05989	2.2
224.08179	2.1
225.09064	6.7
225.12529	2.2
227.07011	2.0
229.12230	100.0
238.09901	2.5
251.10626	2.0
252.11465	25.7
253.08682	6.9
253.12273	23.5
255.06682	2.0
267.10199	2.6
270.08899	7.3
271.13284	6.3
277.21576	3.0
285.10989	5.8
295.09720	3.6
295.16931	24.6
295.22647	6.5
313.10687	40.4
313.17923	54.7
313.23492	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	313.1647
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
53.30615	3.4
55.05520	13.8
57.03440	21.4
66.38747	3.7
67.05505	15.4
79.05482	4.4
81.03423	17.9
81.07072	33.8
83.08620	16.6
85.02901	17.7
91.05478	29.6
93.07031	22.1
94.42892	3.6
95.04947	5.3
95.08628	6.1
96.03233	3.9
97.02897	5.5
104.40087	3.6
105.07015	15.3
107.04953	5.5
107.08591	7.3
109.02869	8.4
109.06496	4.3
109.10146	5.1
111.08040	4.5
113.02353	70.0
119.08576	16.3
121.06477	7.4
123.11720	5.2
127.03957	5.4
133.10141	90.0
143.08617	8.4
151.11191	33.3
161.09604	33.8
171.08070	5.4
179.10663	34.5
189.09073	7.2
197.27727	3.8
207.10205	24.8
211.13287	17.0
225.11104	5.7
237.19829	4.2
239.12791	7.2
304.24127	3.8
313.10675	22.1
313.16287	100.0
313.21744	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	313.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.2
58.21058	0.8
59.82558	0.8
62.97631	0.9
70.06590	5.8
72.08162	76.8
73.06559	7.0
84.08156	2.2
85.02911	1.2
86.09701	1.1
89.10789	5.4
91.05496	2.1
95.04990	1.5
98.06049	2.2
107.04951	1.6
114.10265	1.4
116.05314	2.1
116.20366	1.0
119.04956	2.3
121.06474	3.9
129.06999	1.3
131.04958	4.9
133.02821	1.2
135.04396	1.9
137.04317	1.5
137.05988	53.6
147.04422	1.2
149.05997	31.4
149.07291	1.7
150.06781	21.3
151.07556	27.1
153.05656	0.9
157.06540	5.4
159.07108	1.3
160.07883	7.9
163.03925	9.2
163.07527	2.1
165.03728	8.7
165.05412	7.9
174.06808	1.1
177.05484	12.1
181.74825	0.9
189.09128	14.6
197.06322	54.6
200.99431	0.9
202.12210	1.4
206.08049	0.9
209.06425	0.9
216.18182	1.2
220.13364	8.0
221.09607	1.2
225.05850	2.0
226.44987	1.0
248.12846	3.7
249.09161	1.5
253.12178	1.6
265.15677	0.9
281.11679	1.2
296.13083	27.0
304.18460	2.0
313.07532	2.0
313.10715	7.4
313.15826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55930	0.4
53.86794	0.3
59.68752	0.4
61.01156	3.3
66.35671	0.4
72.04516	2.5
72.08167	0.6
78.03796	11.0
81.07066	0.5
95.04974	1.9
102.03775	22.9
103.02183	0.4
105.70515	0.4
109.21044	0.4
120.04774	2.6
123.04435	45.2
131.06404	16.1
132.04807	8.8
138.09109	0.6
149.07448	100.0
149.53537	0.4
163.03946	0.8
165.05478	13.4
193.04991	0.5
223.05960	0.5
304.14258	3.0
313.12125	11.9
313.15317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1073
Annotation	Caloxanthone F
Peak:m/z	Relative Intensity
51.07493	1.1
55.01867	6.7
58.02774	1.3
59.71198	1.2
65.39807	1.5
79.05478	7.0
88.45182	1.5
91.05484	3.1
95.04972	2.2
107.04939	6.3
114.09099	2.2
115.05461	6.0
119.04900	6.0
121.06559	1.6
122.10410	1.6
131.04904	3.1
135.04414	18.8
137.05978	52.2
138.09161	2.9
143.04955	19.0
145.06447	2.6
149.05920	2.5
150.06757	27.0
151.03960	2.0
151.07556	2.5
153.11354	1.5
161.05922	12.6
163.03900	89.4
163.07596	2.8
163.45377	1.6
165.07048	1.6
171.04407	58.2
173.05923	1.9
177.05449	21.5
177.87460	1.8
178.07765	2.2
179.07080	2.2
179.08574	9.1
181.08551	3.0
189.05447	5.6
189.06966	2.7
189.09042	2.0
190.56596	1.6
206.07199	2.3
207.06140	2.0
207.08061	48.8
210.02156	2.1
217.06459	8.4
218.07318	2.3
221.05994	3.0
234.06815	9.3
235.07545	64.8
236.08284	3.1
249.09152	3.6
252.07803	9.9
253.08543	3.3
256.02731	15.7
262.06268	13.4
263.06964	17.8
263.88541	1.9
264.07843	1.9
267.04193	1.7
267.10083	15.0
269.11597	2.8
277.08600	54.7
280.07364	7.8
281.07996	1.6
295.09653	100.0
295.12866	4.1
313.05072	2.9
313.10690	95.7
313.14063	5.8
313.18027	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	313.0707
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
52.50377	0.3
55.32231	0.3
56.42300	0.3
66.05487	0.3
67.71503	0.4
75.71698	0.3
88.54567	0.3
91.40643	0.4
92.17821	0.7
95.54630	0.3
95.78030	0.3
98.31104	0.3
101.46386	0.3
123.84756	0.3
239.07117	0.6
267.06512	100.0
274.33127	0.4
295.06015	73.1
313.07034	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0708
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
55.20272	0.2
56.55995	0.3
62.14982	0.3
91.71281	0.3
92.18407	0.4
131.04942	1.2
136.43774	0.3
185.72296	0.3
239.06943	0.7
267.06522	100.0
295.06021	73.5
313.07047	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	312.981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56369	13.9
65.90292	14.0
67.81474	14.2
74.00288	13.2
87.40603	15.2
106.46632	15.2
116.72256	17.4
131.68942	15.7
178.65808	15.0
214.84073	100.0
264.69467	16.3
286.81955	18.9
296.33267	15.4
312.98206	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	313.0706
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
58.98137	0.3
63.96821	0.3
71.37393	0.3
76.93744	0.3
77.63734	0.3
92.18442	0.7
118.68436	0.3
125.06904	0.3
139.23363	0.3
141.76575	0.3
165.07120	0.4
223.06042	2.9
239.07126	0.7
258.14127	0.4
267.06522	100.0
295.06027	71.8
313.07068	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.7
57.07084	1.5
60.04541	23.7
61.99664	1.2
63.67921	1.0
64.94480	1.2
66.22522	1.0
67.05496	5.2
68.96902	0.9
69.07073	13.2
69.18053	1.2
81.07063	9.1
81.26157	1.3
83.08634	11.6
86.09708	8.3
91.05465	1.6
93.07060	2.1
95.08619	8.3
97.06560	1.4
97.10194	10.4
97.54455	1.1
100.07587	1.2
109.10165	4.3
110.53212	1.3
119.08590	2.5
119.85696	1.1
121.10150	2.6
123.11767	1.4
133.10149	4.2
133.19447	1.1
137.13254	1.2
147.11682	2.9
151.11140	1.4
161.13309	2.6
182.15443	7.0
200.16431	4.4
217.19542	1.3
235.20641	2.1
252.23286	9.3
255.05750	1.3
270.24286	13.7
293.20203	1.4
294.24536	1.9
312.25360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69055	5.9
59.20977	6.0
59.72252	6.5
69.07081	14.7
71.08638	100.0
72.74651	8.2
81.07059	38.7
93.07033	11.1
95.08607	39.4
99.08075	85.0
105.07050	11.0
107.08614	8.7
121.10158	8.8
126.62628	7.5
142.92001	7.3
151.14857	26.9
186.12910	7.5
197.15382	9.2
214.18065	59.4
215.16478	45.6
269.55237	9.6
276.20468	18.5
277.21564	8.4
294.21539	13.3
312.25244	48.1
312.28827	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	312.217
Annotation	YM 47515
Peak:m/z	Relative Intensity
50.91565	0.5
55.16084	0.5
58.59714	0.4
64.75166	0.5
69.03418	0.9
69.07072	3.9
70.43851	0.5
79.05494	2.6
86.09713	49.4
93.07037	10.3
97.06506	0.9
105.06998	1.2
107.08608	9.5
118.34819	0.5
119.08558	1.2
119.11123	0.5
121.10149	100.0
123.08054	1.0
128.10722	18.4
132.10211	23.8
135.11699	43.8
137.09648	0.6
137.13235	1.1
145.10196	0.8
163.11191	8.6
170.09235	0.6
178.08644	0.9
244.46844	0.6
248.20125	4.6
266.21313	0.7
293.62622	0.6
294.20648	51.1
312.21713	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.6
55.64203	0.4
57.07061	0.6
59.05010	0.5
67.05505	0.6
69.03455	0.6
69.07083	1.1
79.05488	2.7
81.07079	0.6
86.06068	0.6
86.09711	44.3
91.05479	0.9
92.15334	0.4
93.07053	8.5
95.08604	1.9
96.81670	0.4
97.06532	1.0
98.06071	0.6
100.03975	0.7
105.07017	4.0
107.08600	11.7
110.06031	0.6
117.07054	0.5
119.08576	1.0
121.10146	100.0
123.08001	0.6
128.10715	10.1
132.10210	30.2
135.11700	41.3
137.09608	0.5
137.13240	1.0
139.11292	0.6
145.10121	2.0
151.87248	0.5
156.10236	0.9
163.11179	8.9
164.02443	0.5
173.01254	0.6
174.11276	1.1
178.08589	2.6
201.16582	0.5
208.13179	0.7
248.20142	4.4
266.21161	0.9
290.97363	0.5
294.20660	46.8
295.20953	0.7
312.18222	5.6
312.21667	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	312.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52505	0.3
69.07068	5.1
70.06608	0.6
73.06542	0.6
75.30202	0.3
79.05482	0.5
79.55206	0.4
86.09711	0.4
95.06098	50.1
97.06537	5.6
97.07656	0.6
100.83305	0.3
105.68552	0.3
109.07590	0.5
120.10622	0.3
133.07637	4.0
135.09227	0.3
138.41609	0.4
139.05162	0.4
149.10741	2.0
150.07759	1.4
163.12405	0.5
165.10233	4.4
167.08168	1.9
167.11809	1.9
191.11794	1.4
209.12863	100.0
225.12331	0.7
253.12041	0.6
268.20203	55.1
312.15549	0.8
312.19165	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1917
Annotation	58872-39-2
Peak:m/z	Relative Intensity
56.96962	0.6
60.05641	1.1
67.05524	0.6
69.07056	2.0
70.06237	0.6
70.06599	14.2
71.04996	7.0
72.08135	1.0
79.05515	4.3
80.29906	0.5
84.05639	6.7
84.08087	0.5
84.94968	0.5
86.09720	0.5
88.07621	1.1
88.32121	0.5
91.05466	2.3
93.07054	5.4
94.69555	0.5
95.08587	0.6
96.04505	0.7
97.02904	1.0
100.07637	0.7
105.07047	4.4
107.08562	0.6
110.07154	0.5
112.08702	3.3
115.03911	2.0
119.08583	10.2
120.08067	0.9
121.10126	3.3
123.04446	6.1
123.39153	0.5
124.07502	1.0
130.09761	12.9
132.56943	0.5
137.09679	1.0
147.08069	5.5
154.09758	14.2
156.07683	0.5
164.10692	1.1
165.09151	4.4
166.08646	2.5
172.10808	2.0
180.11281	0.8
184.09700	0.6
224.13916	2.6
226.11888	15.5
234.14807	3.8
252.15939	2.6
253.06911	0.8
276.12387	1.1
276.17093	2.3
294.13409	2.0
294.18140	32.3
312.19171	100.0
333.14713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1922
Annotation	Pro Pro Val
Peak:m/z	Relative Intensity
51.02332	0.1
52.77072	0.1
54.20059	0.1
56.38074	0.1
59.05001	0.2
60.05634	0.2
69.03417	0.1
69.17965	0.1
69.32222	0.2
75.04469	0.3
79.05488	0.2
81.07044	0.4
82.92100	0.2
84.05638	21.4
86.06069	1.7
87.04473	6.4
91.05455	0.3
93.07052	3.5
98.06037	0.9
103.88225	0.2
104.07129	0.3
106.58942	0.2
111.08092	0.3
111.12735	0.2
114.09166	0.2
121.10144	3.6
128.08179	0.8
129.06604	0.2
131.08559	0.3
138.09200	0.2
139.11153	0.3
145.11906	0.2
146.09256	7.9
149.09639	0.9
152.08205	2.0
170.09251	62.5
177.45297	0.2
179.17496	0.2
226.15385	0.5
294.18280	1.9
294.23624	0.4
312.19189	100.0
312.24319	4.0
329.74567	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1917
Annotation	Pro Pro Val
Peak:m/z	Relative Intensity
51.17498	0.6
60.05636	1.7
61.62532	0.7
67.05496	1.0
69.07063	3.4
70.06616	0.6
79.05481	3.5
81.07063	5.2
86.06073	9.7
86.07180	4.2
87.04468	13.2
93.07030	4.1
95.08609	3.1
98.06033	3.4
104.07111	8.4
107.94073	0.8
109.06544	1.5
111.04432	4.2
121.10132	11.3
125.05967	4.7
126.10278	3.0
128.08205	1.1
138.09131	1.5
139.11073	0.9
146.09247	18.6
149.09627	8.4
167.10670	7.0
170.09297	3.2
270.16946	4.7
294.18060	3.3
312.19162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
57.03426	0.7
58.34529	0.4
59.35741	0.3
60.05663	3.0
69.03426	0.5
71.05003	0.4
73.94552	0.3
75.04487	4.8
77.03941	0.3
79.05486	1.6
79.55205	0.4
81.07063	1.7
85.07690	0.3
86.05587	0.5
86.06074	10.2
86.07159	0.5
87.04468	15.2
91.05466	2.4
93.07050	40.5
95.04961	1.6
95.08605	0.8
97.06535	0.5
104.07108	8.8
107.08587	0.4
111.05574	1.8
111.08083	4.2
113.06060	0.4
121.10144	18.7
128.08183	5.5
129.06570	1.9
137.05922	0.9
138.06345	1.4
146.09250	68.9
149.09621	0.8
164.72540	0.4
166.30849	0.4
166.77554	0.4
185.18153	0.4
192.08905	0.5
220.08344	2.1
248.07986	0.8
252.10977	2.5
280.10464	2.6
284.19440	0.5
294.18085	1.8
297.10519	0.4
312.19174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1807
Annotation	Arg His
Peak:m/z	Relative Intensity
53.03949	0.1
55.05513	0.1
59.48243	0.1
61.02932	0.3
61.42754	0.1
67.05524	0.2
69.03426	0.6
69.07064	0.3
70.06575	0.7
70.16185	0.2
71.04958	0.2
72.08142	0.7
74.02424	0.7
74.06086	0.2
79.05502	0.2
81.03413	0.2
81.07060	0.2
84.08151	7.4
85.02917	4.2
85.06535	0.2
87.04482	0.2
87.08092	0.8
91.05476	0.2
91.36179	0.2
97.02889	0.9
98.06042	0.2
99.04427	0.3
105.07054	0.2
115.07555	0.3
127.03918	1.1
129.10289	0.2
130.08698	1.2
132.74496	0.2
133.08600	0.2
136.06230	0.2
137.05939	0.2
145.04958	1.9
154.09711	0.2
160.01347	0.2
163.05998	0.7
171.01558	0.2
175.24097	0.2
177.05406	0.2
194.11734	0.3
195.08899	0.2
210.11374	0.2
222.11259	1.4
223.04265	0.3
236.12895	0.2
239.11496	0.3
245.38393	0.2
248.09303	0.2
252.08551	0.2
266.13889	0.6
266.17258	0.2
268.15323	0.2
271.79245	0.2
294.16974	1.9
295.13940	0.2
300.56766	0.2
312.14865	3.7
312.18054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01877	2.4
57.03436	3.8
57.30317	0.6
61.02932	6.7
66.35168	0.5
69.03439	10.6
69.07076	9.5
70.06602	1.1
70.64075	0.5
71.04986	2.3
72.08152	3.0
73.02570	0.6
73.02896	4.8
78.63743	0.7
81.03445	4.7
84.08150	14.3
85.02912	100.0
85.06538	0.9
87.04461	2.9
87.08110	21.0
91.03954	8.4
97.02898	26.9
99.04449	3.6
105.09143	2.5
109.02876	8.1
115.03918	0.8
115.07612	1.0
119.04951	1.1
123.04431	3.2
127.03920	29.2
130.08630	1.3
133.08620	6.3
145.04967	45.8
163.02675	0.6
163.03915	2.7
163.06010	15.9
165.05507	1.2
180.08681	0.8
199.07872	0.6
217.91862	0.6
223.04108	0.7
250.40631	0.7
266.13861	1.4
295.14020	4.0
297.97327	0.7
312.11011	0.8
312.14459	4.5
312.18082	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	312.1305
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
57.03436	0.1
63.11344	0.1
64.69843	0.1
68.83622	0.1
70.00574	0.2
70.06602	1.0
71.06093	0.1
72.08147	0.5
73.02910	0.2
76.19482	0.1
84.08138	0.1
85.02895	0.2
88.11266	0.2
110.03532	1.1
132.08073	1.2
135.02975	0.2
137.08295	0.3
153.04056	0.6
180.08804	100.0
213.12396	0.2
223.04317	0.2
237.63635	0.1
266.10187	0.3
312.12961	1.2
312.19046	0.4
319.03369	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	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.4
56.71133	8.8
57.07067	18.9
57.14748	9.2
67.05499	50.3
69.07080	18.9
71.08622	37.7
79.05488	15.8
81.07070	60.9
93.07044	11.2
95.08599	40.8
97.10165	16.2
107.08610	19.7
109.10144	45.0
121.10159	12.6
125.09646	41.4
135.11748	10.9
158.15378	17.1
171.26978	10.4
173.13341	12.1
203.12773	15.8
261.22174	14.8
270.27933	100.0
279.23236	97.2
311.26123	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35733	13.7
71.08630	100.0
81.07069	22.2
88.60660	15.2
94.97701	18.1
96.99867	14.4
99.08092	29.1
118.19421	14.3
167.47462	15.9
239.67178	17.3
242.80122	17.7
266.11444	17.2
279.23016	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2583
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.01886	16.9
55.05527	11.5
57.03446	8.8
57.07071	7.6
57.07311	0.9
65.21431	1.0
67.05499	5.9
69.07073	17.2
70.87844	1.3
71.08647	5.9
73.02926	31.6
77.66009	1.0
79.05508	2.4
81.07057	7.1
83.04990	1.3
83.08636	19.2
89.70977	1.1
93.07053	7.5
95.08611	8.2
97.06512	1.6
97.10153	9.6
99.76770	1.2
103.74458	1.3
107.08614	2.3
111.08092	1.4
114.25830	1.1
121.10124	4.6
135.11737	1.4
151.49261	1.1
255.23241	2.4
311.25836	100.0
325.21826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	Litsenolide C1
Peak:m/z	Relative Intensity
50.80183	0.9
53.00308	1.3
55.05294	1.3
55.05520	27.0
57.03437	11.6
57.07088	15.6
59.00882	1.0
67.05488	6.0
69.07073	40.3
71.08628	10.9
79.05493	2.0
81.07059	8.9
83.05026	1.1
83.08625	32.3
85.10164	4.3
92.07188	1.1
93.07023	6.2
95.08596	7.6
97.06509	2.6
97.10175	25.6
107.08568	5.5
109.10149	1.7
111.11707	5.0
121.10136	4.4
130.62512	1.3
135.11688	2.4
149.13255	1.4
173.31145	1.2
204.18629	1.3
303.08099	1.3
311.25790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2583
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
54.26616	2.6
55.05508	15.5
56.17247	2.5
57.03424	2.8
57.07073	6.0
59.48859	2.5
67.05509	60.0
69.07066	18.5
70.85208	3.1
71.04995	24.8
79.05490	4.8
81.07065	100.0
83.08617	17.9
85.06545	14.6
93.07042	15.7
95.08605	97.4
97.06526	6.4
97.10157	5.5
99.08076	4.9
105.07030	7.0
107.08604	12.7
109.10177	38.5
111.20078	4.2
113.57797	3.2
119.08568	7.0
121.10162	27.6
123.11682	20.7
123.14788	3.3
131.08588	6.5
133.10161	13.0
135.11674	14.9
137.13264	7.6
145.10150	6.3
147.11723	7.2
149.13252	12.6
151.14763	4.2
161.13298	6.1
165.12770	4.9
169.25356	2.9
175.14821	3.0
179.14247	5.5
188.48680	3.5
261.22122	11.9
279.23224	24.3
307.83426	3.4
311.25989	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	311.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55986	0.5
62.36959	0.4
63.11279	0.5
67.68672	0.5
69.03415	0.5
69.07072	1.5
70.06584	0.9
72.08147	2.7
79.05470	1.0
81.07043	1.1
82.06590	1.4
83.04961	1.1
84.04504	3.3
84.07680	0.6
84.08154	12.9
93.07041	4.0
113.10790	7.0
114.09183	24.7
114.10307	1.1
115.08671	3.9
121.10158	3.6
125.84327	0.7
131.08627	4.6
131.11763	1.5
133.02888	0.8
137.05991	6.0
138.12794	12.5
139.11189	1.4
143.11801	44.5
148.44389	0.6
156.11331	12.9
158.07532	0.6
170.09615	0.9
173.13992	14.1
187.07495	1.1
191.08459	1.0
201.12878	0.6
218.53020	0.6
219.08017	1.3
223.11183	1.4
226.15569	1.0
234.19667	1.3
238.15517	3.7
247.07506	0.8
251.10587	2.8
252.20757	2.4
279.10193	3.8
283.13297	4.8
293.23358	33.7
294.21869	2.7
311.09277	1.3
311.12753	18.9
311.24423	100.0
315.20712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50502	0.7
71.33221	0.8
72.04487	1.4
72.08163	1.5
76.05240	0.8
79.05436	0.8
81.02206	0.8
83.04984	0.9
84.07672	1.0
84.08145	16.2
87.49930	0.8
93.07036	1.8
113.10763	7.8
114.09165	23.9
115.08680	3.5
121.10117	4.3
131.11816	1.2
136.95607	0.7
138.12814	9.6
139.11168	3.1
143.11804	43.0
156.11331	14.1
161.41005	0.8
173.13998	15.8
234.19551	0.8
236.87616	0.8
238.15511	4.2
252.20711	1.4
255.69632	0.8
293.23346	35.0
294.21860	1.6
310.79865	0.8
311.24411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17688	0.4
70.06587	0.9
70.57105	0.5
70.97980	0.5
72.04524	1.0
72.08138	2.8
72.69874	0.5
76.01617	0.5
82.06613	0.9
83.04944	0.9
84.05600	0.9
84.07756	0.6
84.08151	11.6
93.07027	1.2
95.08633	0.8
96.08186	0.6
103.29109	0.6
113.10768	6.4
114.09177	23.0
114.10270	1.0
115.08683	2.8
115.70901	0.6
121.10133	3.8
126.10274	0.9
131.11732	0.6
138.12785	10.2
139.11237	0.9
143.11804	31.5
151.09853	1.1
156.11327	10.6
173.13983	11.6
173.29266	0.6
180.14973	2.8
198.16075	1.3
226.15523	3.1
234.19582	1.2
237.17047	0.9
238.15553	2.2
252.20689	1.2
256.91891	0.6
269.22372	0.6
287.56534	0.7
293.19980	1.3
293.23361	23.8
294.21719	1.0
311.20892	6.2
311.24393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45366	0.4
61.05662	0.4
65.06778	0.4
65.83376	0.4
70.06564	1.4
72.04519	0.7
72.08170	2.9
72.08485	0.4
72.66167	0.4
81.07056	0.5
82.06564	1.7
83.04957	0.7
84.05663	0.4
84.08141	11.4
86.27165	0.4
93.07021	0.9
96.05545	0.6
96.08085	0.6
108.14259	0.4
113.10761	6.6
114.09166	20.8
114.10289	1.4
115.08709	3.3
117.33715	0.4
121.10152	2.6
126.10215	0.7
130.12984	0.4
131.11768	0.9
134.26375	0.4
138.12776	9.7
139.11172	2.4
143.11801	31.0
156.11316	10.0
173.13983	10.7
180.14983	4.1
197.14021	0.7
198.16039	2.6
225.17029	0.7
226.15526	0.6
231.37679	0.4
234.19632	2.2
235.18080	0.7
237.17023	1.0
238.15480	1.8
252.20634	3.1
269.22421	0.4
293.23349	23.0
294.21747	1.5
311.24399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2219
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.56692	2.5
54.38732	2.4
55.05516	13.5
60.62752	2.6
63.03401	2.4
67.05522	31.5
69.07080	11.3
71.08611	3.9
71.64225	2.6
79.05482	6.1
81.07066	30.8
83.04979	3.9
83.08634	3.3
83.70663	2.9
85.06554	4.3
85.10203	3.7
86.09708	3.1
91.05477	13.5
93.07043	16.7
95.04984	5.0
95.08608	24.8
97.06525	4.3
99.08100	3.9
105.07060	6.1
107.04998	3.0
107.08614	20.0
109.10165	16.6
111.04436	11.6
119.08580	4.0
121.06569	3.9
121.10145	11.2
133.10138	18.9
135.08052	3.5
135.11723	14.0
135.54732	2.7
137.09656	5.4
143.08536	3.1
145.10124	4.9
147.11757	5.4
149.09628	5.8
149.13272	4.3
159.17503	2.9
163.11221	6.9
168.57272	3.5
184.07294	2.5
247.20602	4.2
265.21716	5.5
275.20044	26.9
286.46286	3.2
293.21124	100.0
311.22324	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	311.2218
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
51.01163	0.9
54.43978	0.9
55.00418	0.9
55.01883	1.4
55.05525	16.5
57.07079	1.3
57.63757	0.9
67.05509	11.2
69.03419	2.5
69.07062	5.0
71.05004	1.7
71.08624	5.1
79.05505	6.7
81.03419	1.4
81.07061	18.5
83.04993	4.6
83.08623	15.8
85.06549	1.3
85.10177	2.4
91.05482	2.4
93.07045	7.1
95.04967	18.8
95.08598	6.0
97.10168	29.4
99.08087	1.4
105.07024	2.3
107.04964	1.6
107.08603	15.0
109.10161	5.3
111.04440	16.0
111.08113	7.0
111.08747	0.9
113.09629	2.3
117.07043	1.6
119.08587	1.9
121.10122	5.0
125.04157	1.0
125.09631	23.7
131.08543	2.1
133.10130	4.0
135.08025	2.5
135.11725	5.4
136.08792	1.1
143.46127	1.0
145.10074	5.9
147.07939	1.2
147.11783	1.4
149.09642	7.7
149.13304	1.5
153.09081	11.0
153.12675	1.6
155.10641	1.2
159.11757	1.3
163.11203	14.7
165.12727	4.6
171.10159	5.1
177.12822	1.7
181.12239	2.3
189.11195	23.4
191.10695	1.5
193.12302	1.4
205.12172	2.0
223.13315	5.9
227.12871	1.8
247.20445	1.7
275.20099	8.3
279.22974	2.0
290.64972	1.4
293.21109	100.0
311.22079	4.7
311.25522	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.34324	1.0
51.76591	1.0
53.80271	1.0
54.71930	1.2
55.01878	2.4
55.05521	15.8
57.07069	1.7
61.75538	1.2
67.05510	23.0
69.03414	1.4
69.07072	9.5
71.04998	1.6
71.08640	21.1
79.05508	12.2
81.03426	8.1
81.07065	21.7
83.04983	2.8
83.08627	11.4
85.02909	1.8
85.06534	1.8
91.05492	10.1
93.07039	12.3
95.04984	19.3
95.08607	27.3
97.06578	2.5
97.10143	2.6
97.30237	1.3
99.08099	13.1
99.82565	1.2
105.07040	9.6
107.04962	10.1
107.08619	9.2
109.06496	6.8
109.10181	11.0
111.04439	13.8
111.08086	9.5
117.07023	6.1
119.08595	11.8
121.06496	1.7
121.10174	11.4
123.08064	1.7
123.11730	1.6
127.11197	1.3
131.08572	7.3
133.06520	1.9
133.10143	8.8
135.11699	7.7
137.05934	1.5
137.09612	5.8
141.09096	1.7
145.10112	7.1
147.11671	5.5
147.44838	1.3
149.09616	7.5
151.11206	20.9
155.08553	1.3
155.10713	5.3
157.10089	1.4
159.11670	6.2
161.09615	11.8
163.11151	11.3
165.12781	7.1
173.09621	5.1
173.13242	2.1
177.12689	13.4
193.12352	2.8
209.11671	2.2
223.13411	9.2
257.19009	2.0
265.21536	1.7
275.20062	20.3
293.21127	100.0
311.22470	4.3
311.25809	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01874	6.4
55.05525	20.8
56.12663	1.3
67.05509	14.7
69.03435	3.2
69.07062	6.8
71.08624	12.4
76.34921	1.6
79.05500	9.7
81.03420	12.8
81.07056	17.9
83.04980	4.0
83.08627	23.5
91.05467	4.1
92.18404	2.0
93.07040	10.1
95.04971	24.8
95.08605	12.4
97.06546	3.7
97.10178	24.6
99.08089	8.9
105.07043	4.0
107.08609	20.2
109.06528	1.8
109.10150	7.7
111.04431	10.0
111.08111	8.2
119.08575	8.7
119.17834	1.8
121.10141	7.0
125.09636	24.9
131.08577	3.4
133.10098	6.2
135.08063	3.2
135.11681	3.3
139.11124	2.2
145.10104	6.4
147.08023	1.9
147.11720	3.5
148.01755	1.7
149.09668	2.9
153.09076	3.5
159.11687	1.7
163.11180	24.2
165.12775	2.9
189.11229	7.1
193.12271	2.0
195.13931	8.0
211.13219	3.4
216.08139	1.8
223.13329	3.4
225.34221	1.6
247.20583	1.8
275.20035	12.0
289.01190	1.7
293.21100	100.0
308.65289	1.9
311.22308	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	311.2219
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01873	0.8
55.05526	4.9
57.03448	0.7
57.07070	0.4
67.05508	4.0
69.07066	2.1
71.08641	8.5
79.05498	3.1
81.07060	4.8
83.04990	0.9
83.08631	5.1
88.33556	0.4
91.05502	1.0
93.07023	3.3
95.04944	0.8
95.08615	5.1
97.06518	0.9
97.10172	8.9
99.08100	5.2
105.07071	1.8
107.08596	4.2
109.06523	0.7
109.10144	2.0
109.42564	0.5
111.08042	1.0
117.06899	0.5
119.08562	2.1
121.06506	0.8
121.10117	1.2
123.08047	1.1
125.09637	6.2
133.10143	0.9
135.08028	2.4
135.11664	1.0
145.10107	0.7
147.11650	0.6
149.09596	0.8
151.11176	0.9
159.11688	0.5
162.08922	0.5
163.11205	0.5
177.12735	0.6
184.93823	0.5
189.11250	1.2
226.04579	0.5
257.18988	0.8
265.21609	0.7
275.20071	6.1
275.23123	0.7
293.21112	100.0
311.22208	2.3
311.25613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
54.25436	2.5
55.01885	4.6
55.05524	22.6
57.03449	4.1
57.07080	2.9
57.53387	2.5
64.91029	2.8
67.05511	53.8
69.07072	15.4
71.04988	4.3
71.08641	78.9
71.44727	2.5
79.05502	23.6
81.03425	6.2
81.07062	40.6
83.04977	6.5
83.08615	18.5
85.06544	4.9
91.05476	23.5
93.07044	33.8
95.04975	13.0
95.08614	39.1
97.06548	11.4
97.10165	7.2
99.08089	61.4
105.07027	15.3
107.08608	27.4
109.06513	11.3
109.10173	34.2
111.04420	2.8
111.08090	11.4
117.07010	13.6
119.08598	12.0
121.06550	3.5
121.10133	20.6
123.40993	2.9
127.11179	10.8
131.08569	14.4
133.10172	20.5
135.08069	4.2
135.11684	12.4
137.05995	3.8
137.09604	4.5
145.10149	14.5
147.11685	5.4
149.09615	3.6
149.13322	7.1
151.11203	17.9
153.12769	5.5
159.11699	11.7
161.09608	4.4
161.13187	3.2
163.11194	3.8
165.12740	6.4
173.09634	4.7
173.13226	5.7
177.12746	12.3
179.14388	3.1
247.20598	4.2
265.21609	100.0
275.20050	46.2
293.21143	86.8
298.18314	3.1
311.12955	3.7
311.22168	38.7
311.25668	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	311.2219
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01873	6.4
55.05511	37.9
57.07075	7.7
67.05505	31.9
71.08631	9.7
79.05512	8.9
81.07056	34.1
83.04978	9.4
83.08620	44.6
91.05464	9.9
93.07017	16.8
95.04952	52.6
95.08598	34.2
97.10194	18.8
99.08058	9.6
107.08612	37.0
109.06517	11.3
111.04433	33.2
111.08135	11.0
119.08596	10.5
121.10130	32.1
125.09650	9.0
133.10176	11.0
135.11713	11.8
145.10117	14.7
149.09599	33.6
149.13263	9.7
153.05421	13.3
163.11172	34.5
163.75790	8.6
178.20328	7.7
181.12375	12.2
182.70056	8.8
189.11240	10.5
193.15938	8.3
209.11748	94.2
223.13335	40.3
237.11244	18.5
275.20102	80.8
293.17838	16.1
293.20993	100.0
307.41058	11.6
311.22385	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.69637	1.0
53.32579	1.0
55.01872	5.7
55.05519	25.6
57.03445	1.7
65.09427	1.3
67.05517	14.6
69.03429	5.0
69.07051	9.2
71.08633	12.1
79.05499	12.9
81.03426	11.5
81.07062	23.8
83.04990	10.0
83.08628	28.0
84.92373	1.0
85.06535	1.8
91.05470	8.2
93.07042	14.5
95.04980	23.9
95.08590	9.5
97.06535	5.9
97.10177	28.1
99.04419	1.3
99.08117	11.3
105.07034	6.5
107.04960	3.2
107.08588	15.5
109.06544	5.5
109.10165	10.6
111.04431	8.6
111.08083	7.2
112.64828	1.3
117.07003	3.0
119.08572	7.8
121.06511	2.0
121.10113	6.9
123.08051	3.0
123.76828	1.3
125.09628	23.0
131.08580	7.5
133.10149	7.3
135.08043	5.1
135.11700	8.4
139.11215	1.6
145.10107	6.1
147.11684	6.5
149.09578	9.7
149.13261	2.0
153.09132	4.7
157.10143	2.3
159.11688	5.6
163.11192	25.5
165.12756	1.5
175.11198	1.7
177.12747	2.8
181.12238	2.5
189.11244	8.0
190.41605	1.3
191.10600	1.2
193.12242	3.0
195.13837	8.2
211.13300	1.9
219.06087	1.4
223.13310	6.4
247.20499	1.7
249.22186	2.6
257.19025	3.1
275.20062	18.2
286.69684	1.3
293.21103	100.0
311.22073	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.75006	5.4
55.01887	6.5
55.05513	14.1
56.67690	5.8
67.05508	24.5
71.08624	12.8
79.05495	7.1
81.07078	48.2
83.05021	10.8
83.08623	34.0
91.05470	8.8
93.07050	11.4
95.04953	30.5
95.08611	13.2
95.44798	6.0
97.10168	26.6
102.40743	7.4
107.04932	7.1
107.08575	23.3
109.10155	7.3
111.08049	6.2
118.11370	7.4
121.10086	6.4
125.09675	13.1
133.10138	7.5
163.11162	14.0
248.99503	6.2
275.20078	14.1
279.40598	8.0
293.21057	100.0
311.21704	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.05509	4.9
57.07080	1.3
61.89814	0.7
65.70562	0.7
66.25550	0.7
67.05515	5.8
69.03416	0.8
69.07063	4.2
71.08631	9.1
79.05509	3.8
81.07051	7.7
83.08617	1.9
85.21291	0.8
91.05474	1.7
91.91376	0.8
93.07035	4.0
95.04958	1.6
95.08604	7.5
97.06519	1.2
97.10165	6.4
99.08105	4.8
101.19034	0.7
105.07058	1.2
107.08588	4.4
109.10162	3.2
111.08076	1.0
117.07011	1.5
119.08576	1.2
121.06532	0.8
121.10134	1.9
125.09639	1.9
127.11138	0.9
131.08632	1.0
133.10173	1.6
135.08046	1.7
135.11655	1.0
142.08414	0.9
145.10097	1.5
159.11661	0.9
165.12753	4.4
173.13419	1.1
201.12828	1.1
227.73952	0.9
267.91336	0.9
270.06479	0.9
275.20026	5.8
293.21115	100.0
311.18781	1.3
311.25742	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	311.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76518	0.3
55.01861	0.5
55.05519	5.7
57.03426	0.8
57.07086	0.5
58.83590	0.4
64.71960	0.3
67.05517	6.5
69.03418	1.3
69.07070	4.0
69.92894	0.3
71.08271	0.5
71.08636	10.5
73.90627	0.3
79.05502	3.2
81.03410	2.5
81.07066	5.8
83.04978	1.5
83.08630	5.2
85.02911	0.6
91.05428	1.2
93.07050	3.9
95.04951	2.5
95.08599	3.9
97.06543	0.7
97.10173	10.5
99.08111	4.5
105.06998	1.6
107.04949	1.6
107.08595	4.1
109.06532	0.4
109.10145	2.3
111.08070	1.4
112.25465	0.4
117.06991	1.9
119.08571	1.6
119.71244	0.3
121.06471	2.3
121.10117	1.4
123.08067	0.9
125.09641	6.7
131.08560	0.7
133.10110	0.8
135.08023	1.4
135.11713	0.5
137.09607	1.9
145.10097	0.8
147.11699	0.5
149.09579	1.3
149.13246	0.7
151.11145	0.9
153.09074	0.5
159.11638	0.7
163.11198	0.6
173.09593	0.4
176.98610	0.5
177.12698	0.8
189.11186	1.7
191.00008	0.5
201.12743	0.7
219.13934	0.6
229.19536	0.4
237.14873	0.5
247.20547	0.4
257.19113	0.8
265.21741	0.5
270.05887	0.4
275.20050	6.5
279.22919	0.4
287.55804	0.4
293.21106	100.0
311.12952	0.8
311.18842	1.2
311.22141	2.0
311.25763	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01884	6.0
55.05515	8.4
57.07074	1.0
61.31720	0.7
67.05511	10.2
69.03410	0.9
69.07056	4.4
71.04984	1.5
72.32061	0.8
79.05509	6.2
81.03425	1.5
81.07066	12.2
83.04993	6.1
83.08633	9.4
85.02901	3.5
91.05470	4.5
93.07040	9.1
95.04969	29.7
95.08614	13.8
97.06524	1.9
97.10188	4.9
99.04495	2.9
99.08119	1.0
105.07033	7.7
107.04951	5.0
107.08595	9.2
109.06493	1.9
109.10160	6.7
110.12679	0.8
111.04449	22.1
111.08081	9.0
117.07005	1.7
119.08557	6.7
121.06532	4.3
121.10143	6.8
123.08044	4.8
125.06024	0.8
125.09648	3.8
129.07033	1.1
131.08566	5.0
133.10114	3.7
135.08061	1.4
135.11684	3.4
137.09602	4.5
139.11194	1.0
144.44754	0.9
145.10135	4.4
147.08063	1.0
147.11684	3.3
149.09624	10.8
151.11269	1.5
159.11719	3.5
161.09526	1.0
163.11171	15.7
165.12749	1.8
173.13216	1.5
177.12747	3.8
187.11249	1.1
189.11253	1.0
205.12239	3.3
220.85802	0.8
223.13286	16.3
237.14803	1.5
247.20802	1.1
257.18906	1.5
275.20041	13.2
293.21097	100.0
311.22284	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	311.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07981	0.3
52.48456	0.3
55.31092	0.3
55.65268	0.3
56.78922	0.3
58.06586	0.5
58.79387	0.4
64.83928	0.3
72.08159	37.9
73.08530	0.4
83.32229	0.4
84.05635	38.8
84.08118	0.5
85.06390	0.4
86.42046	0.4
96.05582	0.4
101.70316	0.4
103.15247	0.4
112.11241	0.5
113.09480	0.6
123.04444	0.7
125.59690	0.4
138.10240	1.8
155.12947	3.4
166.05766	0.7
176.11829	1.7
178.13348	0.9
194.12915	2.1
222.12486	4.5
223.11670	0.6
237.13168	1.6
240.13422	42.0
249.88405	0.4
294.18390	4.3
311.20795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	28.6
57.07074	85.8
67.05498	33.6
81.07045	29.4
83.04971	17.9
83.08606	23.4
91.05460	24.2
92.18376	19.3
93.07053	27.3
95.04994	23.4
95.08612	19.6
95.87678	13.9
98.71563	14.5
105.07036	58.1
106.32932	16.0
107.08608	30.2
108.65482	19.7
109.10178	27.0
115.18095	13.3
116.05312	35.2
117.66516	13.8
119.08590	60.1
121.10131	62.2
125.46707	13.1
129.85161	14.0
131.08586	33.8
133.10130	22.9
143.08522	14.3
145.10101	31.9
147.11703	32.5
149.09608	74.0
157.10138	15.4
189.12744	15.0
191.14366	14.9
275.19855	16.4
279.19431	15.0
293.21140	27.1
311.14661	14.9
311.17343	100.0
314.13110	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	311.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	8.6
56.01548	1.0
57.03442	1.3
57.07070	1.8
59.55212	1.0
60.73529	1.0
63.53579	1.1
67.05507	5.0
67.86013	1.3
69.07059	8.2
71.08635	10.2
79.05502	5.6
79.58389	1.1
81.07061	11.3
83.04988	5.9
83.08619	7.6
89.09381	1.1
91.05486	5.3
93.07060	9.0
95.04959	8.4
95.08589	6.5
97.06567	1.6
97.10182	12.3
99.08098	2.3
105.07032	10.9
107.04961	2.3
107.08621	9.0
109.06521	6.3
109.10162	2.4
111.08086	1.2
117.07062	1.4
119.08595	12.0
121.06506	7.7
121.10155	2.9
125.09629	8.1
129.06889	1.3
131.08603	2.3
133.10146	6.2
135.08034	2.2
135.11726	2.3
137.09601	2.6
142.07814	1.6
143.08586	1.7
145.10104	8.2
147.07953	3.7
147.11682	6.8
149.09616	16.0
151.11217	5.0
157.10123	5.2
159.07983	1.5
159.11722	1.5
161.09702	1.5
161.13260	1.3
171.11684	1.9
173.09595	1.7
173.13219	1.8
175.11238	2.5
177.12726	2.0
189.12779	6.5
191.14240	2.6
205.00476	1.3
209.13263	2.3
227.14279	1.9
241.14885	1.2
275.20050	7.0
279.45224	1.2
293.21115	100.0
311.20114	9.5
311.26010	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	311.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
58.04090	0.4
60.05647	1.0
64.61057	0.4
70.06589	3.9
71.04984	2.9
72.08159	17.4
73.06559	3.7
84.08121	0.8
96.08131	0.6
97.07637	3.9
98.06043	2.8
99.33924	0.4
107.04961	0.8
114.10290	10.5
115.08679	5.8
116.07195	0.6
120.08028	0.6
123.04406	1.1
126.10284	3.8
130.09755	0.7
131.12923	2.1
135.04390	2.3
137.05977	2.7
140.08224	0.9
149.05991	3.2
150.05557	0.5
152.07076	1.0
153.05495	3.6
161.07149	1.0
163.03886	4.0
164.83504	0.7
165.05452	2.5
182.08130	0.7
192.06560	3.0
204.84045	0.5
206.08281	0.7
206.11774	4.0
233.12686	0.6
234.11229	5.3
248.13950	3.3
251.13907	12.6
252.12294	53.5
269.14975	2.0
276.13382	2.4
277.11765	0.7
283.17471	0.5
294.14417	3.1
311.17123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
59.14563	0.5
60.05650	1.0
64.56840	0.4
65.11196	0.4
67.05518	0.6
68.99187	0.6
70.06607	3.5
72.08160	14.3
74.02459	1.0
76.86810	0.5
84.08148	39.3
85.06538	1.1
85.95195	0.5
89.10782	0.8
91.05433	0.5
95.06081	0.5
97.07654	4.3
98.06056	11.2
102.05593	0.5
113.06030	0.6
113.10786	2.4
114.09161	4.2
114.10290	24.4
115.08694	10.7
123.04459	0.6
126.10274	4.1
130.08647	14.3
131.12952	2.1
135.04480	1.2
136.07590	2.1
137.05975	3.7
140.08228	0.8
152.07071	2.5
153.05472	2.3
156.11343	2.0
157.10849	44.5
163.03903	42.5
165.05493	2.0
173.14049	2.1
182.08215	0.7
192.59048	0.5
214.12706	0.9
219.14957	0.9
222.11371	2.1
233.12830	6.9
234.11186	7.5
236.14922	0.9
248.13937	3.5
251.13885	0.6
252.12271	4.9
265.15463	6.3
274.59747	0.6
276.13516	8.4
293.16061	6.6
311.17130	100.0
320.55832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	2.7
60.05652	1.3
63.02381	0.4
64.59923	0.3
67.72115	0.3
70.06596	89.5
72.08152	3.7
73.30449	0.3
84.05640	0.7
84.08134	0.4
86.16329	0.3
87.09221	1.1
88.07630	2.1
95.07870	0.3
96.04480	1.4
98.88806	0.3
100.04185	0.3
101.07151	2.1
112.08724	9.7
113.07130	22.5
113.10737	2.2
114.09190	1.6
114.10297	0.3
114.71596	0.3
117.42207	0.3
123.04425	25.8
125.07058	0.3
129.11366	3.5
130.09764	4.0
131.08105	0.3
131.11818	0.7
135.04453	0.4
137.05994	1.3
145.02866	0.3
149.02924	0.6
157.10831	0.3
163.03880	8.8
163.05150	0.4
165.05452	4.7
219.95316	0.3
222.11256	1.8
234.11227	17.6
251.13924	1.3
252.12431	0.5
269.14948	0.5
275.15033	1.5
277.11835	5.2
290.62070	0.3
293.16010	9.8
294.14417	2.6
307.96509	0.3
311.17130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1642
Annotation	Myricarborin
Peak:m/z	Relative Intensity
55.05510	1.6
55.91904	0.6
67.05509	1.0
69.07029	0.8
69.57926	0.6
71.08617	1.0
81.07044	1.7
83.04977	1.1
83.08615	1.1
93.07045	0.9
95.04987	0.7
95.08579	1.5
107.08569	1.7
112.97395	0.7
119.97840	0.8
145.10150	1.0
149.09531	1.0
163.11182	1.1
175.11034	0.7
185.09731	0.9
186.09157	1.1
187.07529	1.2
208.08830	1.1
209.45734	1.0
213.09030	0.9
213.12755	2.9
215.83191	0.7
223.11131	8.0
225.09079	2.8
226.09866	3.9
227.10704	1.5
229.12228	5.3
239.10759	0.9
240.11537	5.3
241.12230	18.3
251.10637	8.8
253.08540	3.5
254.09380	20.6
265.15948	5.7
268.10928	15.6
268.13892	1.0
269.11700	32.8
275.20105	3.0
281.11703	3.9
283.16956	3.2
293.15265	1.2
293.21057	6.0
296.14108	28.8
310.69809	1.6
311.16422	100.0
311.22296	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	311.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05534	0.4
66.43884	0.3
70.06590	2.2
72.08165	13.2
84.04510	0.5
84.08182	0.4
89.03912	0.7
92.21715	0.4
98.06031	0.6
113.10773	18.0
114.09171	14.5
117.03362	1.5
119.04986	0.5
131.11813	10.6
135.04388	2.9
136.07585	3.5
141.87204	0.4
145.02840	4.7
157.09694	0.5
163.03905	100.0
164.04214	0.7
182.08156	2.1
183.61864	0.4
234.11279	5.1
275.13892	1.9
293.14957	55.2
311.12558	0.9
311.16336	4.4
316.98019	0.4
326.85251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96045	0.5
51.42283	0.4
57.86091	0.5
58.06611	11.4
60.07811	0.5
70.06586	1.1
72.08158	21.6
75.09231	0.9
77.23215	0.6
84.04493	0.9
84.08155	9.3
90.96938	0.6
112.11251	24.7
123.04408	10.8
124.83118	0.6
129.13899	4.1
134.07147	0.6
165.05457	14.7
222.11305	4.3
236.10486	1.3
236.12808	27.7
253.15405	1.3
293.18610	27.2
310.21243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.128
Annotation	Porphyrin
Peak:m/z	Relative Intensity
58.75894	0.8
59.15974	0.8
62.13914	0.8
70.06585	2.1
72.08144	3.5
79.05486	1.3
81.07055	1.8
82.76873	0.9
84.65293	1.0
85.02864	0.9
86.09707	13.0
87.10025	5.9
92.18530	1.2
94.04160	1.1
105.07015	3.6
107.04961	3.8
109.06496	3.7
109.07224	0.9
115.05493	1.6
119.08623	1.0
121.06465	1.0
122.03593	3.9
124.18166	1.0
129.07016	4.0
131.08524	1.2
132.10190	4.7
133.06479	5.6
133.10512	2.1
137.05986	100.0
138.06313	10.2
149.05957	4.6
155.04939	6.6
159.08070	8.6
161.05949	11.0
163.03868	1.1
175.07538	1.8
175.38631	1.0
179.07033	1.3
187.07552	26.9
190.07748	3.8
191.06894	1.8
191.08565	32.6
201.06935	1.4
205.10152	1.1
208.08910	1.2
218.07289	6.9
219.08051	60.7
220.08792	4.4
221.13203	0.9
223.11015	1.3
235.07507	3.7
236.08321	13.0
246.06773	1.9
247.07552	27.7
248.08321	4.0
251.10663	90.1
253.08559	1.3
261.09216	3.0
264.07782	10.0
265.08585	1.7
265.16171	1.6
266.32294	1.0
268.11130	1.1
279.10156	65.7
280.10870	4.9
281.07938	10.1
296.10425	14.6
311.12775	97.7
311.16129	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	310.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63126	0.5
55.01877	0.5
55.05499	0.5
56.94310	0.5
58.06369	0.7
58.06617	11.6
64.86370	0.5
68.11865	0.4
70.06586	2.4
72.08161	25.9
72.32652	0.5
72.93790	2.1
75.09234	0.7
84.08150	11.2
87.95391	0.5
90.94836	2.8
92.18405	0.7
109.06522	0.6
112.11250	34.4
112.96879	0.8
116.96336	0.7
123.04426	18.3
126.98392	1.0
128.96327	2.2
129.13931	3.6
130.97893	0.7
132.95865	0.5
134.98949	1.2
136.07680	0.6
138.98419	1.0
144.95830	0.7
149.00520	0.7
151.02039	0.6
152.99977	0.6
158.97340	2.5
165.05473	20.4
172.98929	0.6
175.03922	1.1
176.98462	2.2
177.05528	0.7
179.06020	2.9
180.06261	3.5
194.00333	0.8
197.02600	3.3
197.26724	0.6
206.97491	1.0
207.06572	0.9
215.03685	2.3
222.11240	3.1
223.34663	0.6
236.12810	37.8
251.09166	13.3
253.15558	4.3
278.04947	0.8
287.02127	8.9
293.07104	1.0
293.18604	34.9
310.09863	1.9
310.21283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32772	0.5
55.05511	2.2
56.27523	0.4
58.06369	0.5
58.06612	9.8
58.47580	0.4
60.04529	0.5
62.22693	0.5
67.77190	0.4
69.03432	2.2
70.06597	7.8
71.05003	0.7
72.08163	30.2
73.08466	0.5
75.04481	0.4
75.09239	0.6
78.49356	0.5
84.04510	0.5
84.05639	0.7
84.08160	11.7
85.02903	2.0
86.09672	1.0
87.03237	0.8
88.03996	0.6
91.05462	2.9
93.07013	0.5
94.50887	0.4
97.02892	2.6
98.06052	2.8
99.04442	0.6
110.07111	0.5
112.03937	0.9
112.10496	1.0
112.11251	26.5
114.09153	3.4
116.07069	0.8
120.08110	14.2
123.04439	12.8
127.03923	1.0
129.10190	0.7
129.13875	3.6
131.04903	0.9
132.08104	7.6
139.18156	0.5
143.05833	1.0
144.08119	0.9
149.06036	0.7
161.06825	0.5
162.09172	0.7
163.03920	1.0
164.04330	0.9
165.05481	19.3
166.08705	4.0
168.28319	0.5
178.04985	1.2
178.08580	0.9
202.06055	0.5
213.12373	2.0
222.11279	2.0
231.90889	0.5
236.12814	29.9
244.07169	1.0
244.09702	0.8
246.11250	2.6
253.15434	3.9
258.74432	0.5
264.12253	6.3
292.11743	7.2
292.16528	0.9
292.65634	0.5
293.18610	31.5
294.18185	0.6
301.17075	6.6
310.12894	14.0
310.17877	5.4
310.21255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2026
Annotation	(2R,3S,2'R)-nadolol
Peak:m/z	Relative Intensity
63.16858	0.8
69.07075	1.4
69.56383	0.8
81.07064	1.7
86.09715	76.4
91.05457	2.2
93.07040	8.9
94.06578	1.1
95.08600	5.6
105.07056	3.9
107.08609	9.8
107.50112	0.9
109.06510	4.1
109.10159	24.2
119.08573	8.4
122.05986	1.1
123.08062	1.3
123.11688	11.9
128.10722	4.1
132.10208	27.7
133.10144	53.2
135.11687	7.0
137.09628	23.3
151.11183	20.9
160.07588	10.2
161.09598	13.0
163.03992	1.0
164.86951	1.0
174.09183	1.3
179.10664	50.6
186.09142	19.5
187.09871	2.1
217.13350	4.0
218.14156	3.5
219.37823	0.9
241.83217	1.1
246.18570	5.2
257.16412	1.0
261.15961	3.6
264.19577	24.0
292.19138	12.9
295.13846	1.2
310.20041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2013
Annotation	(2R,3S,2'R)-nadolol
Peak:m/z	Relative Intensity
67.05495	2.9
67.05817	0.8
69.07065	4.1
81.07039	1.8
83.04990	38.7
84.61946	0.8
86.09711	100.0
89.08510	0.8
91.38127	0.7
95.04969	10.1
109.06514	5.1
109.10177	5.9
116.56844	0.8
123.11709	9.0
132.10205	28.6
137.09627	16.3
151.11189	19.2
170.09563	0.9
177.22084	0.9
179.10666	13.2
183.18535	0.8
197.11673	0.8
213.28902	0.8
246.18617	4.2
264.19565	44.7
292.18979	9.1
310.20129	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	310.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58091	0.2
69.11857	0.2
70.06639	0.3
72.08195	0.3
88.24362	0.2
91.05530	0.9
114.09210	0.3
114.39851	0.2
117.10230	0.2
119.04977	1.6
136.11270	0.9
137.11543	0.4
145.06470	0.3
147.04411	2.8
147.08118	0.4
151.03903	0.4
160.07661	0.3
164.04712	0.4
175.03899	12.1
186.09225	0.6
207.06532	12.2
236.06834	1.2
251.09140	100.0
292.22064	0.5
310.16489	15.1
310.22940	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	310.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88357	0.2
56.23893	0.2
90.93658	0.3
91.05449	0.6
105.12590	0.3
108.67448	0.3
119.04945	2.2
119.73229	0.3
130.24931	0.3
147.04427	2.6
160.07518	1.3
164.04660	0.4
175.03902	11.9
186.09137	2.2
204.78871	0.4
207.06532	11.5
207.08490	0.4
217.13306	0.5
228.09456	0.3
236.06766	1.4
251.09137	100.0
262.33545	0.4
310.16486	14.6
310.19717	1.4
310.23016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26744	0.4
55.05521	0.5
57.07084	15.2
58.06599	2.5
58.27555	0.4
60.83064	0.4
70.06597	8.5
71.05003	0.9
71.68882	0.5
72.08165	10.5
74.06111	0.7
74.09727	100.0
84.04527	1.3
84.08158	4.8
85.02921	2.8
85.08480	0.6
86.09698	0.8
95.06121	0.6
97.02895	0.9
98.06059	3.8
99.04498	0.5
106.05074	1.0
112.11229	5.7
113.06049	3.0
116.07108	4.9
123.04416	4.9
126.05549	0.9
129.10292	0.9
130.05014	0.6
148.04930	0.7
148.09708	0.8
165.05470	4.1
207.11217	0.8
213.12399	5.1
220.06984	0.6
222.11259	12.6
236.12834	6.2
239.14059	0.8
292.10547	0.9
293.18579	7.7
310.08188	1.8
310.11514	2.6
310.17825	6.6
310.21417	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	310.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12899	0.5
58.99308	0.6
58.99596	11.3
69.03433	0.6
80.24426	0.5
86.99059	6.1
91.05461	1.0
100.10412	0.6
103.05444	2.6
104.05789	3.0
105.00071	2.9
118.06555	12.4
144.04414	1.3
146.06009	15.6
147.04410	9.3
148.04758	12.4
163.06252	1.1
174.05501	59.2
191.05731	3.2
204.04700	0.9
205.07318	2.6
206.08136	25.4
231.03496	1.1
232.04259	7.8
248.03880	1.3
249.04541	3.1
264.06885	33.4
310.07437	100.0
310.59137	0.7
322.89105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0709
Annotation	Triangularine A
Peak:m/z	Relative Intensity
54.06994	0.6
57.18580	0.6
99.04469	10.4
109.10142	0.8
120.01748	0.6
120.08951	0.7
127.03922	10.2
130.57054	0.7
149.48007	0.7
160.07585	1.1
164.35533	0.6
166.06532	3.3
167.07306	1.4
168.04472	1.1
170.09259	1.0
182.05974	1.6
183.06805	5.0
186.09126	2.8
194.05992	3.2
195.06773	3.2
196.03943	18.3
198.09129	1.6
208.03952	4.3
209.04675	0.7
210.05493	3.8
211.06276	10.2
221.04781	0.7
222.05525	6.0
223.06238	2.7
224.03416	32.7
224.06915	1.2
226.05055	1.4
226.08607	16.5
235.02698	2.3
238.05074	2.7
239.05775	20.3
241.03777	0.8
250.05037	1.0
251.05827	3.2
252.02859	5.5
252.06509	1.0
253.07330	3.6
254.08110	17.2
264.06381	1.1
267.05286	14.3
282.07629	15.0
292.22174	0.8
295.04895	3.3
308.04401	0.7
309.69196	1.0
310.07104	100.0
310.23151	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	310.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.05505	2.0
55.93526	1.3
56.94302	3.7
58.06609	10.6
67.05501	3.8
70.06594	1.6
70.95876	9.9
72.08161	25.2
72.42489	0.8
72.93798	21.5
74.95345	1.8
79.05486	3.8
80.88336	0.9
81.07062	6.5
82.95863	1.5
83.01339	3.8
84.08157	10.9
88.96912	1.8
90.94828	26.4
91.05461	2.2
91.29183	0.9
93.07029	1.0
95.08612	1.1
100.96889	3.4
102.94817	4.0
105.07048	1.4
108.95860	3.4
109.06512	7.1
112.11250	27.5
112.96872	1.7
113.96416	1.5
114.98447	0.9
116.96348	11.4
118.94320	1.3
119.04926	1.5
123.04429	11.3
123.08081	4.3
126.98427	11.4
127.72275	0.8
128.96346	13.0
129.00005	2.1
129.13887	4.7
130.97919	9.3
132.95819	7.4
133.03044	1.0
134.97403	1.1
134.98950	9.1
135.08099	1.1
138.98428	10.6
140.41788	0.9
140.96333	4.6
140.99980	7.1
142.97925	5.3
144.95828	9.8
144.99478	11.9
146.97379	5.6
147.00981	1.6
147.04440	2.0
148.98979	3.4
149.00478	9.3
150.96951	4.3
150.98463	1.4
151.02066	10.9
152.99979	6.3
153.03604	2.1
154.97945	4.2
155.01535	4.9
156.99446	1.2
158.97414	27.4
159.01025	4.3
160.95314	1.2
160.98932	1.8
162.96912	4.6
164.98531	1.2
164.99937	1.2
165.05469	12.7
166.97847	8.0
167.01524	1.0
168.99478	5.6
171.01041	1.4
172.98955	14.0
173.02654	5.6
175.03941	10.8
176.98479	23.9
176.99983	1.8
179.01549	5.9
180.99464	1.7
184.99055	1.0
187.00636	1.6
190.98390	1.0
191.00000	7.4
195.01019	3.4
197.02615	38.4
199.00552	3.7
202.30649	1.1
207.06538	10.8
213.02145	4.2
215.03658	21.9
217.01642	2.2
222.11275	4.2
233.04665	5.2
236.06793	1.4
236.12813	33.0
251.09140	91.9
253.15521	2.1
259.40942	0.9
269.01010	6.5
287.02139	91.4
293.18613	29.5
305.03409	2.0
310.03687	4.0
310.16705	13.3
310.21280	100.0
326.41867	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08228	0.6
55.01877	3.4
55.05511	4.0
55.93519	1.2
56.94318	7.4
58.06607	0.7
59.73304	0.6
61.08743	0.6
67.05502	4.0
69.03431	1.7
69.07071	4.1
70.06587	1.8
70.07380	0.9
70.95864	10.7
72.08164	6.1
72.93793	23.6
74.95348	1.3
76.55687	0.8
79.05486	4.4
81.03430	1.0
81.07063	7.7
82.95844	1.4
83.01348	5.9
84.08130	0.8
85.02904	1.0
86.09724	0.9
86.95321	1.3
87.04432	0.8
88.96905	4.7
89.94016	1.1
90.94831	26.8
91.05474	1.2
93.07050	3.0
95.08616	2.9
97.06529	0.8
100.96910	3.8
102.73467	0.7
102.94821	4.4
105.07061	1.2
107.05043	0.8
107.08584	3.9
108.95888	5.9
109.06532	7.5
112.96868	1.7
113.96425	1.4
116.05317	0.8
116.96375	12.2
117.07018	0.9
118.94304	1.4
120.08073	0.9
120.95795	1.0
123.08112	7.6
126.94846	0.9
126.98437	13.6
127.09851	0.8
128.96358	20.0
129.10295	1.3
130.97910	10.1
132.95833	8.2
134.97353	3.2
134.98933	9.9
135.08046	1.4
138.98424	12.6
140.96324	6.1
140.99937	8.2
142.97905	5.2
144.95828	14.3
144.99501	9.2
145.02876	1.7
146.97404	9.0
147.01085	1.0
148.98988	3.6
149.00493	14.4
150.96895	4.1
150.98357	2.5
151.02057	9.7
152.99936	7.3
153.03598	1.6
154.97920	5.9
155.01550	5.1
158.97401	32.9
159.01054	7.0
160.07669	1.0
160.98987	1.6
162.96921	6.0
164.98541	1.6
164.99925	1.7
166.97929	9.5
167.01567	1.8
167.97478	0.8
168.99515	6.3
171.01094	0.9
172.98973	15.0
173.02618	4.3
175.07732	1.0
176.98459	34.2
176.99969	2.1
177.05449	3.6
178.05753	0.8
179.01532	6.4
179.06065	1.0
180.06219	1.0
180.99472	4.3
184.98947	1.7
186.09158	6.3
187.00511	3.2
191.00040	8.2
192.99429	1.1
195.01012	9.3
197.02615	42.5
199.00507	4.1
211.00526	1.4
213.02112	3.8
215.03648	25.4
217.01585	3.0
221.04462	1.0
223.00510	0.9
230.90433	0.8
233.04686	5.9
241.01534	1.2
251.15033	1.2
261.15988	1.1
269.00983	8.2
274.56406	0.8
287.02121	100.0
287.66263	2.9
297.22763	1.5
305.03165	3.1
309.61929	2.9
310.03790	5.2
310.12891	3.7
310.16504	4.4
310.19629	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	309.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02421	0.4
56.35409	0.4
61.55693	0.5
68.34390	0.5
69.06703	0.8
69.07071	19.1
72.04517	1.3
72.08134	3.0
79.05457	1.0
81.06609	1.0
81.07065	23.1
84.08157	0.5
95.08603	6.0
113.09992	0.8
113.10774	23.8
114.09170	45.1
114.10292	2.1
115.08685	9.9
124.51821	0.5
131.11824	6.8
137.13222	0.9
156.11340	26.4
173.13983	25.5
174.90866	0.6
206.00465	0.5
309.26480	100.0
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	Yaretol
Peak:m/z	Relative Intensity
50.20884	1.7
53.48750	1.8
55.05514	9.9
57.07059	2.1
67.05508	3.7
69.07073	8.2
71.08649	16.6
78.62242	1.9
79.05502	3.1
81.07062	16.6
93.07044	11.7
95.08600	11.3
97.10178	2.4
99.08112	5.3
105.07023	4.2
107.08611	13.0
109.06541	4.5
109.10177	3.7
125.92122	2.1
149.13248	2.6
161.13202	3.2
165.12759	11.7
180.00594	2.4
193.15918	3.4
204.99284	2.3
220.98677	2.6
262.63916	2.7
291.23239	15.2
309.24255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.01884	6.3
55.05518	9.7
57.07077	6.3
59.12523	3.8
67.05512	67.0
69.07058	29.1
71.08640	71.7
79.05505	41.9
81.03445	7.3
81.07072	57.5
83.04991	24.9
83.08647	11.2
86.59878	4.1
91.05457	21.7
93.07075	48.0
95.04965	10.3
95.08628	37.7
97.06496	6.9
97.10188	42.6
99.08105	48.3
102.03794	4.2
105.07022	11.5
107.08601	45.0
109.06487	5.7
109.10147	29.3
119.08605	27.7
121.10136	21.4
123.08084	8.9
125.09634	10.9
131.08601	7.3
133.10129	24.6
135.08018	6.0
135.11699	30.6
137.05965	4.3
143.08513	6.4
145.10158	9.1
147.11674	10.7
151.11227	32.9
157.38754	4.2
161.13303	19.1
163.11189	17.5
171.11722	6.7
173.13286	8.4
175.11145	5.8
181.52513	4.4
189.12791	5.5
193.12314	7.5
203.12767	9.0
241.19565	8.6
259.20569	18.3
277.21628	100.0
291.19742	8.2
309.20706	20.2
309.24225	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95758	1.0
53.03950	1.9
53.49676	0.9
55.01880	4.1
55.05524	9.4
57.03436	1.1
57.07084	2.8
67.05510	25.6
69.03424	1.2
69.07077	24.3
71.04986	1.6
71.08636	2.5
76.52322	1.2
79.05497	19.6
81.03427	26.5
81.07069	26.0
83.05001	10.1
83.08636	8.1
84.84729	1.1
85.06531	1.7
85.10194	1.9
91.05509	9.4
93.07059	25.3
95.04976	20.7
95.08595	11.8
97.06522	1.6
97.10161	8.3
99.08113	1.5
101.62995	1.0
105.07046	13.0
107.08604	19.6
109.06531	6.5
109.10178	12.1
111.08096	2.0
119.08591	8.7
121.10149	5.3
123.08110	1.7
123.11688	4.8
125.09623	10.0
133.10130	12.1
135.08061	2.1
135.11694	6.1
137.13324	1.5
143.08597	1.2
145.10135	2.1
147.11707	7.4
149.13232	2.6
151.11198	26.6
153.09212	2.0
155.40553	1.2
157.10164	1.4
161.09636	1.4
161.13271	8.3
163.14812	2.2
165.12759	7.0
179.14337	6.6
189.12717	1.4
203.12746	8.0
207.13799	1.5
231.21095	6.3
241.19438	2.2
249.22156	1.4
259.20654	4.2
277.21634	100.0
309.24243	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	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.05521	9.7
57.07072	2.2
66.78679	2.4
67.05512	31.3
69.07063	6.5
71.08638	56.8
76.33757	2.3
79.05495	31.4
81.07060	37.7
83.04983	3.9
83.08617	5.9
91.05475	14.9
93.07048	46.3
95.04993	5.4
95.08601	25.2
97.06556	4.9
97.10163	3.1
99.08099	36.0
105.07036	13.8
107.04971	3.3
107.08594	22.5
109.10175	10.8
119.08569	10.7
121.10136	29.2
122.97505	2.7
133.10129	15.1
135.11691	27.7
141.09087	2.9
148.81339	2.7
149.13278	5.9
151.11198	15.0
154.09378	2.5
159.11610	3.5
161.13251	16.6
161.89919	2.5
163.11165	6.1
179.14310	100.0
182.09920	2.6
183.85445	2.8
241.19421	2.8
259.20547	4.0
277.21603	97.5
295.47357	2.6
309.24252	17.6
333.66879	3.2
334.65634	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	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.05513	25.2
57.07073	16.2
60.81578	12.5
64.45237	13.6
67.05508	58.7
69.07078	26.8
71.08629	23.2
78.81765	12.8
79.05518	17.5
79.41155	14.6
81.07062	71.6
83.08636	26.0
91.05479	16.3
93.07049	27.1
95.08621	30.8
97.10191	22.3
107.08611	30.5
109.10168	22.7
119.08590	27.1
135.11688	22.6
139.11177	20.6
159.61641	14.1
171.28824	17.1
174.32527	15.6
277.21655	100.0
309.24353	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.69759	2.3
52.99157	2.3
55.05511	15.9
57.03425	3.1
57.07088	46.4
66.88081	2.4
67.05510	25.1
69.07063	17.1
71.04990	3.2
79.05492	16.7
79.23481	2.5
81.07064	35.9
83.04963	6.3
83.08620	5.8
85.09705	5.6
85.10191	100.0
91.05473	23.3
93.07042	26.5
95.04980	11.3
95.08599	32.4
97.10161	5.8
98.15010	2.7
99.08092	4.1
104.17579	2.7
105.07019	15.6
107.04938	26.2
107.08580	17.9
109.10165	11.0
113.09646	83.5
119.08576	6.7
121.10144	20.3
123.08044	5.5
127.11160	4.2
129.06984	5.1
131.08589	5.8
133.10172	3.4
135.08133	3.2
135.11700	5.6
138.05391	3.1
147.11676	21.3
149.09633	22.6
149.13303	4.6
151.11252	5.7
153.12816	4.8
161.13286	4.6
163.11096	3.6
165.12746	93.7
167.14342	3.3
171.11674	4.7
175.11200	4.6
179.14265	4.0
181.12415	3.6
216.83345	2.8
231.20937	3.4
241.19557	5.0
259.20657	13.6
277.21634	80.8
291.23196	5.4
309.24738	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2427
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
67.05507	73.7
71.04988	57.1
79.05505	30.8
81.07059	64.7
83.08610	14.7
91.28949	12.4
93.07056	56.1
95.08616	59.0
95.22549	13.7
97.06558	20.1
97.10210	19.0
107.08574	72.1
109.10139	24.5
113.15008	12.9
114.17641	14.5
117.67209	11.9
119.08556	16.6
119.96025	12.2
121.10137	92.7
128.91670	15.7
135.11707	84.7
163.14940	13.3
277.21573	31.7
280.74951	14.0
291.23145	52.7
309.24451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2427
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.05512	19.6
64.42430	7.7
67.05495	51.8
69.07069	34.5
69.23595	7.9
70.69596	8.1
71.08630	18.0
79.05483	37.7
81.07048	65.3
83.04984	12.7
83.08608	34.7
85.10184	14.7
91.05469	11.3
92.22148	7.9
93.07041	38.8
95.04985	11.0
95.08602	45.0
97.84590	9.2
105.07033	13.5
107.08606	19.1
109.10187	15.0
113.09678	15.6
119.08579	16.3
121.10126	19.1
123.11713	10.6
131.08510	9.4
133.10110	15.2
147.11676	14.8
159.11661	9.4
161.13258	8.7
165.12775	40.9
212.75269	8.1
222.03107	8.7
277.21628	100.0
309.24115	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.00303	2.1
54.17230	1.5
54.36743	1.9
55.01871	8.5
55.05522	17.0
57.03442	3.1
57.07072	9.9
58.06235	1.6
67.05513	48.9
69.03435	2.4
69.07068	26.8
71.04987	1.8
71.08637	51.5
77.33201	1.5
79.05496	32.5
81.03404	8.4
81.07064	49.7
83.04982	12.4
83.08623	23.4
85.06545	9.4
85.10178	10.0
91.05488	20.1
93.07049	39.0
95.04971	18.1
95.08616	38.2
97.06530	10.9
97.10159	17.6
99.08102	32.5
105.07026	15.4
107.04947	6.9
107.08617	36.6
109.06532	3.5
109.10156	22.9
111.08086	11.5
113.09639	12.7
116.51505	1.7
117.06984	2.9
119.08598	20.9
121.06529	2.2
121.10133	23.0
123.08091	14.0
123.11736	3.0
125.09654	15.4
129.07013	3.1
131.08577	3.5
133.10092	21.5
135.08090	3.2
135.11720	19.1
137.09650	8.5
139.07555	2.1
139.11232	1.9
143.07025	1.9
143.08492	3.0
145.10146	10.8
147.11725	11.9
149.13211	7.8
151.11218	19.5
153.09085	4.0
153.12720	8.0
159.11687	3.4
161.13242	12.7
163.11203	15.2
163.14850	1.8
165.12785	18.1
167.14345	1.8
171.11690	2.5
173.13235	1.7
175.14819	3.5
177.12733	2.5
179.14340	10.4
185.13284	3.3
189.12764	3.1
193.12294	1.8
203.12738	17.5
231.21094	2.1
241.19576	4.3
259.20584	11.6
273.18393	2.1
277.21622	100.0
289.25766	2.0
291.19583	15.0
291.23236	12.5
309.20407	18.1
309.24237	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.05814	2.0
53.72152	2.5
55.05520	24.4
57.03432	4.3
57.07068	6.2
59.36904	2.6
64.95492	2.5
65.67931	2.4
66.84403	2.6
67.05519	36.5
69.07081	29.4
71.08642	37.9
79.05495	31.3
81.03401	2.9
81.06620	3.1
81.07069	62.8
81.66579	2.4
83.04975	11.4
83.08625	20.8
83.74297	2.9
83.80994	2.9
85.06513	4.5
91.05492	25.4
93.07047	55.3
94.91335	3.3
95.04952	20.8
95.08613	44.7
97.06534	15.9
97.10185	13.4
99.08102	19.4
105.07037	25.6
107.08590	29.7
108.14120	2.5
109.06501	4.1
109.10135	19.3
111.08099	5.8
117.07001	4.7
119.08585	15.5
121.10138	20.2
123.08109	6.2
123.11699	11.2
123.33399	2.8
125.09615	3.0
131.08583	11.0
133.10156	21.1
135.11703	17.1
139.11185	17.6
145.10165	11.2
146.55652	4.3
147.11685	18.5
149.13223	13.5
151.11151	16.6
157.10127	4.5
159.11694	5.3
161.13269	15.3
163.11191	10.9
163.14738	4.1
165.12785	11.3
175.11223	3.2
175.14868	5.7
179.14278	6.7
185.13365	2.7
193.12285	5.8
194.17879	3.0
241.19519	3.1
249.22115	3.4
259.20587	16.4
277.21631	100.0
291.23090	20.7
303.38962	3.0
309.24240	58.0
314.02475	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.01873	1.9
55.05529	16.0
57.07080	4.1
67.05511	57.6
69.07063	20.5
71.05013	2.5
71.08628	33.8
74.68183	1.9
78.02550	1.9
79.05498	31.8
81.03416	9.3
81.07057	34.6
83.04999	14.8
83.05441	2.0
83.08627	15.5
85.06546	2.5
86.34306	2.1
91.05484	11.9
93.07037	33.0
95.04950	13.9
95.08603	30.2
97.10162	27.6
99.08092	26.4
105.07040	15.6
107.04965	2.7
107.08605	34.9
109.10152	26.7
117.06985	5.1
119.08592	14.2
121.06480	2.6
121.10126	13.7
123.11691	3.8
125.09633	25.5
129.07027	3.3
131.08589	4.5
133.10101	15.5
135.08035	10.3
135.11659	21.2
143.08566	2.7
145.10091	8.5
147.11688	5.0
149.13269	13.4
151.11165	22.7
153.09119	8.9
157.10075	4.0
159.11632	4.0
160.07516	2.6
160.15302	2.3
161.13287	13.7
163.11111	8.0
165.09192	2.8
165.12770	3.1
166.11288	2.6
173.13194	2.2
175.14810	3.6
179.14307	9.0
193.15952	5.2
197.76663	2.1
199.14717	2.7
202.46130	2.0
203.12823	21.9
223.29956	2.4
225.18396	2.8
231.21048	2.5
238.10542	2.2
241.19388	5.0
259.20502	15.9
277.21616	100.0
291.19797	4.6
291.23212	11.2
309.24188	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	309.2426
Annotation	Yaretol
Peak:m/z	Relative Intensity
55.01868	0.6
55.05298	0.6
55.05527	9.5
57.03435	0.5
57.07077	1.4
57.64622	0.6
59.54401	0.6
67.05517	8.3
69.03436	0.8
69.07073	8.0
71.05009	1.2
71.08640	13.1
79.05506	5.7
81.03407	0.6
81.07066	19.9
83.04959	2.4
83.08627	7.6
83.22057	0.6
85.06541	1.1
86.09676	1.2
89.73653	0.7
91.05471	1.5
92.18096	0.6
93.07057	13.5
95.04977	3.5
95.08623	10.5
97.06527	2.9
97.10165	9.2
99.08078	6.1
104.10786	1.4
105.07043	5.3
107.08611	14.5
109.06530	4.3
109.10163	5.6
111.04427	3.4
111.08061	2.3
119.08583	6.7
121.06491	1.2
121.10148	6.6
123.08072	5.8
123.11659	1.2
125.09679	5.3
131.08534	2.7
133.10124	4.2
135.11693	4.2
137.09624	1.1
139.11171	1.3
141.12718	0.6
145.10097	2.6
147.07990	0.8
147.11644	3.9
149.13284	3.1
151.11180	2.4
153.12724	3.9
157.10170	0.7
161.13237	2.6
163.11191	3.0
163.14862	1.2
165.12778	10.6
171.10112	0.7
175.14810	3.0
177.12790	0.6
181.12157	1.1
184.07281	1.4
185.13255	1.1
189.11218	3.5
191.10660	0.9
193.12198	2.5
193.15907	4.6
207.17355	0.7
209.11761	0.8
227.12749	2.5
235.16896	1.4
273.18524	1.5
273.21869	0.6
277.21640	2.8
291.19543	10.7
291.23166	12.3
309.20792	8.2
309.24234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.98251	0.2
59.02700	0.2
67.36618	0.2
70.06589	1.3
70.08662	0.2
72.04517	0.6
72.07802	0.4
72.08160	7.4
84.08144	4.9
86.09695	0.4
89.10767	1.5
91.05492	0.2
92.65031	0.2
93.07043	0.3
95.08618	0.4
98.06035	0.6
107.08563	0.4
109.10115	0.3
114.09178	4.7
114.10297	0.3
119.08581	0.5
120.08131	0.4
122.67471	0.3
123.08016	0.3
129.10255	0.3
136.11223	38.9
137.09608	0.3
143.11810	12.3
146.06049	0.3
147.04402	0.6
151.03906	1.1
156.11412	0.5
162.03137	3.0
163.03915	1.0
173.14163	0.3
177.05492	8.3
178.09807	0.3
178.13364	0.6
188.03432	0.3
196.14499	1.8
221.04430	5.8
255.99507	0.3
279.05380	0.2
279.09335	0.3
291.21793	19.6
292.11829	1.9
309.15079	6.2
309.22845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03448	0.2
55.05498	0.3
55.57247	0.2
60.48417	0.2
67.05482	0.4
69.07073	3.9
71.05006	0.2
72.04531	2.7
72.08159	4.6
79.08444	0.2
80.05031	0.3
81.07039	0.5
84.05277	0.2
84.05637	3.9
84.07681	0.3
84.08151	8.2
85.12323	0.2
95.08599	1.9
96.05644	0.4
107.08615	0.4
109.10146	0.4
110.07173	4.9
114.09172	29.7
122.07114	1.2
123.00256	0.3
123.07939	0.5
138.10257	2.4
139.22914	0.2
140.08186	0.3
143.11795	5.3
150.10286	0.5
160.07594	1.2
163.11044	0.4
167.11786	6.9
167.13103	0.4
173.08328	0.3
178.13411	2.9
186.09120	2.8
187.09798	0.5
196.14452	2.8
197.13985	7.1
206.12994	0.3
209.13950	1.5
217.13339	0.4
222.14760	0.3
223.15546	27.4
232.18352	0.2
235.15530	1.2
241.16606	0.3
250.19130	1.5
253.16608	0.5
291.21802	8.9
309.22845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.3
57.20973	0.3
66.54268	0.3
67.05503	2.1
68.85292	0.3
69.26328	0.3
70.06577	0.4
72.08134	0.4
81.07050	0.6
84.08128	2.1
87.45023	0.3
91.05467	0.8
93.07056	5.9
94.06563	0.4
95.04980	0.7
95.08604	2.5
107.08598	0.4
108.08115	0.4
109.06511	1.2
109.09492	0.6
109.10166	9.8
113.10766	2.0
114.09181	6.0
115.08665	0.8
119.08589	5.1
122.03608	0.4
131.11783	0.5
136.11226	7.9
137.08574	0.5
137.09624	13.5
143.11803	5.8
154.12286	8.2
156.11314	4.7
160.07629	0.3
173.13982	12.3
186.09213	0.7
225.17365	0.3
241.69928	0.3
291.21835	5.6
305.95663	0.4
309.22858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54525	0.5
55.01888	10.3
55.05518	0.6
58.06593	0.9
60.57496	0.5
67.05500	3.8
70.39250	0.6
72.08160	1.0
81.07040	0.8
82.06593	0.8
91.05484	1.4
93.07048	13.6
95.04949	1.3
95.08595	4.1
107.08600	0.8
109.06522	1.4
109.10157	15.7
113.10751	4.0
114.09164	6.2
115.08704	1.1
117.89980	0.7
119.08595	8.5
131.11829	0.8
136.11211	4.0
137.09625	42.7
143.11827	3.4
154.12245	0.7
156.11339	8.7
157.71223	0.8
160.07584	0.8
173.13977	39.0
186.09094	4.9
237.17070	2.6
262.31732	0.6
291.21841	4.3
309.19254	3.3
309.22839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68405	0.4
69.07056	2.5
70.06606	0.7
72.04514	3.0
72.08144	5.7
73.49007	0.5
82.95773	0.5
84.05649	4.1
84.06136	0.6
84.08152	7.9
88.14064	0.5
95.08597	2.5
96.05585	0.7
107.04961	1.3
110.07170	5.3
114.09168	28.3
114.10329	0.8
137.09396	0.8
138.10263	1.2
143.11789	5.0
160.07542	0.9
166.30516	0.7
167.11798	7.7
170.09627	2.2
176.07042	1.3
178.13341	2.8
186.09178	2.7
196.14429	1.1
197.13968	6.6
202.08600	2.2
209.13905	0.9
215.11717	0.7
218.14148	0.9
223.15540	24.8
223.17656	1.3
234.13577	1.1
242.03522	0.5
253.16655	0.9
291.21820	9.4
309.07693	0.8
309.22836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95266	0.3
55.01884	9.5
60.08564	0.3
67.05507	3.9
69.97665	0.3
72.08145	1.3
79.05476	0.5
81.03436	0.3
81.07053	1.9
82.06623	0.4
84.08151	4.5
85.99524	0.3
86.09698	0.5
91.05455	2.0
93.07050	13.2
95.04969	0.6
95.08608	3.9
107.08581	1.5
109.06523	1.5
109.10167	14.7
113.10784	3.4
114.09164	8.9
114.10329	0.4
115.08694	2.4
119.08579	8.5
124.56927	0.3
131.11821	0.5
136.11215	5.6
137.09628	37.2
139.98018	0.3
143.11818	9.2
154.12291	0.5
156.11330	9.7
173.13982	39.0
178.13382	0.3
186.09108	0.5
196.09866	0.4
237.17162	2.3
246.22313	0.3
251.10152	0.3
285.16919	0.3
291.21780	10.4
292.20145	0.5
309.22870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80944	0.4
55.01883	4.9
57.11465	0.4
67.05525	2.9
67.05803	0.3
81.07046	0.6
84.08141	3.8
91.05466	1.8
93.07043	6.5
94.06566	0.7
95.04956	1.4
95.08582	2.5
97.48222	0.4
102.46609	0.4
108.08109	0.5
109.06518	1.5
109.10165	9.3
113.10754	2.3
114.09171	7.4
115.08673	0.5
119.08588	5.2
124.26828	0.4
131.11786	0.6
136.11223	8.1
137.09618	12.2
143.11801	6.5
149.41312	0.4
154.12270	7.6
156.11307	5.2
160.07565	0.8
173.13980	12.2
178.13519	0.5
186.09131	2.9
218.13943	0.6
260.00439	0.4
291.21783	5.9
309.22830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49591	0.2
54.45573	0.2
55.05505	0.5
56.28350	0.2
60.04494	0.3
67.05510	3.9
70.06573	1.5
72.04517	3.4
72.08157	5.8
80.05013	0.4
84.05630	3.6
84.08135	1.7
93.07014	1.5
95.08605	21.1
96.05610	6.6
98.07170	0.4
99.05531	0.4
110.07219	0.3
112.07592	0.3
114.09165	36.1
119.08607	0.6
122.07143	2.7
125.10730	1.1
136.11195	1.6
138.10234	1.1
143.11829	1.8
150.10257	5.8
167.12910	15.9
167.14342	0.5
168.11307	4.0
176.11792	0.4
178.13387	7.6
197.13971	16.0
205.55469	0.3
209.13963	32.0
232.17955	0.4
235.15552	3.4
249.19566	0.4
281.78922	0.3
291.21774	32.6
309.22833	100.0
326.72144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35597	0.5
55.05507	0.9
57.03222	0.5
57.03444	8.1
58.06596	0.7
59.05008	100.0
60.85621	0.7
67.05504	1.3
69.07065	3.9
71.04971	0.5
72.08157	2.4
79.05525	0.8
79.58430	0.6
81.07056	5.8
83.08633	1.4
84.08123	2.5
85.06528	1.2
86.09666	0.6
91.05475	1.0
93.07062	4.2
95.04980	0.8
95.08596	6.0
97.06484	0.7
98.97603	0.8
99.08090	2.5
101.09639	0.7
105.07019	2.4
107.04984	1.2
107.08588	3.7
109.10149	4.0
111.08063	2.2
112.11207	0.9
115.07529	1.1
117.03416	0.8
117.07028	0.6
117.09127	22.6
119.08590	2.5
121.06485	1.0
121.10117	3.4
123.11681	1.1
125.09653	0.9
133.10150	0.8
135.04420	3.3
135.11685	0.9
137.09590	0.9
137.13229	0.8
145.02867	1.3
147.04396	0.6
147.11699	1.0
149.13286	0.8
151.07590	0.7
160.07574	1.2
163.03897	17.2
163.83078	0.7
170.09645	2.1
175.13307	6.2
176.07092	2.9
186.09120	5.8
187.09967	0.7
188.57841	0.7
193.14301	0.7
196.09482	1.4
206.02452	0.6
215.11873	1.0
218.14058	0.7
220.09567	0.8
225.36528	0.6
233.17430	2.3
234.13722	0.7
251.18471	0.7
268.09518	4.4
273.18436	0.7
291.19495	2.1
291.26740	1.2
309.11377	0.9
309.14795	1.4
309.17865	8.2
309.22665	4.0
309.27979	2.6
309.68875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2214
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
50.23837	1.5
53.00315	1.9
55.01880	3.1
55.05525	19.9
57.03442	7.2
57.07078	7.6
59.22009	1.4
65.03961	2.3
67.05515	53.2
69.03426	2.1
69.07079	26.2
71.05009	2.9
71.08640	70.7
78.60632	1.7
79.05506	46.6
81.03429	7.6
81.07066	61.0
82.73927	1.5
83.04977	9.7
83.08622	20.0
85.06550	6.8
87.48982	1.4
87.63046	1.7
89.09460	1.7
90.84599	1.7
91.05483	32.8
93.07052	88.7
95.04976	50.1
95.08610	54.1
97.06532	23.1
97.10184	21.1
99.08100	46.4
105.07039	70.1
107.04988	7.2
107.08604	53.0
109.06520	10.5
109.10162	34.4
111.08038	7.6
114.03286	1.8
114.88264	2.1
117.07043	18.1
119.08597	54.1
121.06493	12.1
121.10147	100.0
123.08066	11.1
123.11716	10.3
125.09653	13.2
127.11255	2.0
128.06235	2.3
129.06993	9.0
130.07832	2.3
130.57504	1.8
131.08560	29.3
133.10139	47.6
135.08047	9.9
135.11696	30.1
137.09651	2.4
139.07547	2.1
140.15942	1.9
141.06952	2.3
141.12709	1.8
142.07790	7.0
143.08569	20.0
144.09355	2.8
145.10139	49.6
146.56621	1.7
147.08034	4.2
147.11719	20.7
149.13289	9.1
151.11197	35.6
153.12738	2.5
155.08499	6.8
156.09290	2.8
157.10136	28.4
159.08055	3.2
159.11687	32.7
161.09607	10.0
161.13251	20.5
163.11169	17.7
163.14851	2.2
165.12819	2.2
169.10109	13.1
169.12288	1.8
170.10855	2.2
171.10204	2.9
171.11665	21.3
173.09692	2.4
173.13278	20.5
175.14784	12.7
179.14326	13.1
181.10156	2.2
182.11121	2.5
183.11690	8.6
185.13254	11.7
187.11177	14.9
187.14856	17.8
189.12773	3.8
193.10184	2.0
193.12296	3.8
193.15898	3.0
195.11696	3.1
197.13275	7.3
199.14835	10.1
201.12915	2.0
203.12843	16.6
203.99765	1.7
209.13199	3.7
211.14883	9.4
213.16422	4.3
217.07678	1.9
220.12312	1.9
221.13350	2.3
225.16405	4.3
235.14911	3.1
239.17932	3.1
241.19537	11.6
253.15886	2.3
259.20569	13.9
277.21631	84.6
281.22803	2.9
291.23230	10.2
309.21817	68.3
317.44055	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	309.2215
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
55.05507	11.2
67.05503	20.7
69.07074	24.0
79.05511	24.6
80.28244	2.3
81.07070	39.0
83.08601	4.8
91.05469	20.0
93.07051	72.8
95.04957	40.6
95.08604	41.3
97.06535	18.1
97.10192	2.8
105.07040	56.8
107.08607	45.9
109.06519	11.4
109.10146	23.2
117.07024	14.0
119.08581	63.8
121.06531	5.8
121.10140	100.0
123.08100	5.3
123.11669	4.6
128.06183	4.0
129.07054	2.7
130.07782	4.8
131.08582	39.3
133.10129	36.0
135.08061	4.9
135.11691	5.6
141.06979	3.6
142.07782	5.1
143.08591	26.4
145.10118	47.4
147.08018	3.6
147.11682	11.1
148.27753	2.6
155.08501	5.1
156.09389	5.6
157.10136	26.9
159.11684	36.1
161.09630	13.6
161.13257	4.3
169.10149	15.1
171.11690	17.6
173.13312	20.1
175.14816	5.0
181.10184	4.3
183.11696	10.3
185.13287	14.0
187.11142	6.5
187.14868	25.4
195.11641	3.2
197.13309	11.4
199.14778	5.5
209.13245	4.0
211.14827	5.2
225.12752	2.9
225.16406	3.9
235.14810	3.0
237.92839	2.6
281.22717	9.8
291.20917	3.6
299.05542	2.8
309.21707	32.6
309.24112	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01885	1.4
55.05518	7.0
57.07080	1.4
59.05025	1.1
67.05511	21.3
69.07061	4.5
71.08638	9.4
79.05510	13.0
81.03433	1.3
81.07078	9.6
83.08627	7.0
85.06530	1.3
91.05481	4.3
93.06614	0.9
93.07065	12.8
95.04959	3.5
95.08619	5.1
97.10167	6.0
99.08109	4.6
105.07051	1.1
107.04953	1.2
107.08612	17.1
109.06549	1.7
109.10162	12.2
111.04463	1.2
111.08099	1.8
117.07005	1.4
119.08573	2.1
119.45957	0.9
121.10147	1.4
123.04469	1.3
125.09628	10.0
131.08572	2.0
135.08075	7.7
137.09677	1.2
145.10101	1.4
147.11682	1.4
151.11179	7.6
153.09094	4.7
157.10115	1.4
165.09114	100.0
165.12761	2.2
167.10739	1.1
171.10179	9.4
171.11581	1.6
175.11160	1.7
177.12750	5.5
179.10677	28.1
179.14340	1.8
181.12378	1.6
189.11235	1.0
191.14302	1.6
193.12241	7.7
205.15903	2.2
245.19046	9.6
263.19879	3.0
273.18481	4.1
277.21649	2.0
291.19550	99.2
309.20654	4.3
309.24155	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03968	1.9
55.01889	16.0
55.05523	18.3
57.03435	3.9
58.75524	1.6
59.04978	1.9
67.05511	44.3
67.29978	1.6
69.03426	3.3
69.07058	22.3
71.04980	7.8
72.34611	2.0
72.95832	1.8
79.05498	33.5
81.03428	2.4
81.07066	68.1
83.04979	10.2
83.08611	12.2
85.06553	8.6
87.41619	1.7
91.05488	37.4
93.06531	3.2
93.07057	47.6
95.04962	12.0
95.08609	36.2
97.06522	7.7
97.10154	7.6
99.04448	2.7
99.08082	2.3
105.07045	44.0
107.04974	9.0
107.08609	56.8
107.45086	2.3
109.06526	15.5
109.10170	66.5
111.04421	3.4
111.08079	12.2
113.06029	2.7
117.07004	8.8
119.08588	20.4
121.06526	16.8
121.10156	18.0
122.95130	2.2
123.08069	7.9
123.11726	13.4
125.09567	2.3
127.07598	2.2
131.08603	15.4
133.06483	13.9
133.10135	97.9
135.08063	9.2
135.11670	14.6
137.05975	3.3
137.09607	6.8
139.07539	14.1
143.08586	4.8
145.10123	15.6
147.08054	13.0
147.11697	11.5
149.09612	11.1
149.13329	2.8
151.11180	45.5
153.09019	2.3
157.10179	7.6
159.11711	3.6
161.09575	17.7
163.11148	3.4
165.09125	2.1
169.12186	14.4
171.11739	3.8
173.13286	2.5
175.11221	10.4
177.09167	2.9
177.12746	1.9
179.10703	3.1
181.08585	4.2
181.12314	2.3
185.13319	3.0
189.12793	3.8
203.14261	3.7
215.12834	9.6
227.18153	3.0
233.15604	2.0
245.18990	18.9
255.17445	2.9
263.20154	19.2
273.18515	45.4
291.19540	100.0
309.20563	61.9
309.23868	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	309.206
Annotation	Albocycline
Peak:m/z	Relative Intensity
55.01862	2.2
55.05505	7.6
57.03448	8.1
57.17684	1.1
67.05514	8.4
69.07050	5.7
71.04989	6.3
79.05499	8.6
81.07058	16.6
83.08611	4.6
85.06557	8.7
91.05471	5.3
93.07040	9.2
95.04956	6.4
95.08604	7.9
97.06544	1.8
97.10165	9.1
105.07035	7.1
107.04951	2.1
107.08607	11.1
109.06528	2.5
109.10156	2.7
111.08064	1.1
117.07015	5.0
119.08569	7.5
121.06485	5.8
121.10155	9.6
123.08048	9.1
125.09616	5.4
131.08516	10.1
133.10107	5.2
135.08034	6.5
135.11652	1.9
137.09598	2.0
145.10103	8.1
147.08072	8.1
147.11702	2.8
149.09619	7.9
157.10089	5.4
159.11722	1.4
161.09578	4.9
163.11165	4.5
173.13318	6.0
175.11168	1.9
181.12112	1.4
185.13280	2.7
191.14279	4.7
199.14693	1.4
203.14229	1.6
207.13780	1.5
217.15948	1.4
219.13797	4.9
221.15352	9.9
227.18083	1.5
235.16960	1.5
263.20056	2.7
273.18448	23.7
291.19543	100.0
309.20560	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	309.2063
Annotation	Albocycline
Peak:m/z	Relative Intensity
66.28318	8.0
67.05490	9.9
69.07052	11.8
70.23458	8.2
70.98434	7.2
81.07056	42.9
93.07069	13.7
95.08603	16.0
105.07085	8.1
107.08576	8.9
108.55659	7.7
109.06465	10.1
111.04437	19.0
117.07035	7.4
119.08566	18.1
121.10125	15.1
127.10763	7.4
145.10159	10.1
159.31308	8.1
183.90706	7.2
193.12332	10.3
207.51022	8.7
273.18427	11.0
291.19516	100.0
309.20764	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Albocycline
Peak:m/z	Relative Intensity
50.65965	0.6
55.01877	2.5
55.05519	1.4
57.03446	18.3
57.07088	1.0
67.05515	11.3
69.07063	0.7
71.04986	1.2
79.05497	4.6
81.07072	6.7
85.06062	1.1
85.06551	25.2
91.05492	4.8
93.07056	7.1
95.04974	24.4
95.08615	2.8
97.06551	0.8
105.07025	4.6
107.04968	1.3
107.08599	6.8
109.06532	31.3
109.07281	1.0
109.10164	1.3
111.70017	0.9
113.06011	100.0
117.07027	3.7
119.08569	3.7
121.06509	1.2
121.10096	2.4
123.08012	0.8
125.14494	0.7
127.12339	0.8
129.07005	0.8
131.08548	6.8
133.10150	0.9
135.08067	25.5
135.11723	2.6
143.08589	3.7
145.10129	4.5
147.08109	1.1
149.09613	3.3
149.13289	0.9
157.10146	3.1
159.08035	0.7
159.11681	2.7
161.09631	4.1
163.11186	0.7
171.11659	1.0
177.12804	0.7
183.11620	1.2
193.12270	5.9
195.13815	1.4
199.14751	1.1
201.12819	0.9
203.21758	0.7
217.15904	6.4
239.14330	0.8
253.85617	0.7
273.18469	11.9
291.19547	92.6
309.20627	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Albocycline
Peak:m/z	Relative Intensity
55.05515	20.4
58.92739	12.7
61.52503	13.7
64.30185	13.2
67.05505	59.0
69.07079	28.2
79.05510	15.4
81.07060	89.1
91.05469	15.5
92.17823	17.0
93.07030	20.5
95.08588	18.7
95.61393	14.3
102.87225	14.2
107.08609	71.5
109.10160	76.5
111.00791	16.3
119.08586	31.0
123.11713	19.7
129.27510	15.9
133.10124	100.0
151.11221	79.8
169.12100	20.5
173.73737	15.5
206.71669	16.0
273.18497	36.4
275.56604	19.0
291.19543	73.4
309.20667	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.65183	1.0
50.88543	0.8
55.01873	5.9
55.05532	8.8
57.03437	3.9
57.03703	1.0
57.07082	1.2
67.05516	16.0
69.03429	2.4
69.07062	5.2
71.04972	2.2
71.08636	2.1
79.05498	18.0
81.03404	1.3
81.06603	1.7
81.07067	44.5
83.04987	11.1
83.08639	7.7
85.02905	5.9
85.06554	2.2
88.23586	1.0
91.05484	8.2
93.07059	16.3
93.07622	1.6
95.04966	9.7
95.08630	12.2
97.06500	2.2
97.10180	9.0
99.04478	1.3
99.08100	5.1
105.07025	9.1
107.04971	4.5
107.08605	15.9
109.06527	12.5
109.10138	9.4
111.04449	32.5
111.08089	7.8
112.81278	1.1
113.05988	2.6
115.05449	1.1
117.07023	6.7
119.08585	21.4
121.06493	6.7
121.10140	12.6
122.93867	1.1
123.08085	7.9
125.09637	4.6
125.42134	1.2
129.07019	5.7
131.08575	9.8
133.06490	1.8
133.10114	5.9
135.08028	6.8
135.11674	10.3
137.09631	4.2
139.11165	1.9
143.08545	2.7
145.10147	17.0
147.08081	11.0
147.11688	1.6
149.09607	5.2
151.11159	2.2
153.12775	9.8
155.08542	1.1
157.10144	4.2
159.08134	1.5
159.11681	4.6
161.09593	4.6
161.13274	2.1
163.11151	16.2
165.09108	4.4
171.11659	4.6
173.09619	2.5
177.09114	1.5
181.12259	13.0
185.13335	1.5
189.11166	1.6
191.10652	8.2
193.12242	7.7
207.13675	1.1
209.11752	1.5
223.13324	2.0
227.12663	8.1
245.18958	1.4
249.14909	1.5
255.17651	1.7
263.20029	1.3
273.18530	17.4
291.19562	100.0
309.20486	19.5
309.23849	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.77093	3.3
51.71274	3.8
53.19992	3.7
53.56616	3.1
55.05511	25.9
55.80136	3.6
57.03437	4.4
67.05489	24.8
69.07068	21.5
79.05506	30.2
81.03436	7.3
81.07059	74.1
83.08625	23.9
91.05481	16.7
93.07041	24.4
95.04955	9.6
95.08595	22.3
97.06520	4.6
97.10165	42.6
105.07024	26.1
107.08591	16.5
109.06517	5.2
109.10155	21.5
111.04449	7.6
111.08085	8.2
119.08575	26.4
121.10118	8.3
123.08086	32.1
125.09599	30.5
133.10039	5.6
135.08116	4.3
135.11679	7.5
137.09648	9.0
145.10190	7.8
147.08025	5.8
149.09637	5.7
153.12813	6.4
157.10149	6.2
163.11159	24.0
165.09081	7.2
175.11267	5.5
178.72089	4.1
189.11249	20.4
193.12326	4.8
223.13313	5.7
273.18533	24.9
291.19528	100.0
309.11099	16.1
309.20691	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.49449	0.8
55.01877	5.7
55.02112	0.9
55.05288	0.9
55.05524	14.4
57.03197	1.0
57.03452	19.2
57.07087	1.0
66.50787	0.8
67.05510	16.2
69.03429	1.1
69.07063	5.7
71.08624	1.9
79.05505	19.2
81.07069	28.3
81.79760	0.9
83.04996	1.9
83.08624	14.1
85.06533	4.3
91.05480	11.4
93.07047	11.1
95.04972	5.5
95.08610	9.3
97.06530	4.8
97.10172	14.9
99.08087	5.4
105.07043	14.7
107.04948	11.2
107.08613	13.7
109.06521	15.0
109.10165	5.1
111.08097	1.8
117.07018	12.7
119.08577	22.3
121.06519	8.7
121.10146	6.1
123.08083	10.1
125.09629	10.9
128.22484	1.0
129.06987	4.7
131.08569	12.0
133.06464	1.8
133.10146	6.6
135.08080	8.9
135.11644	1.9
137.09619	1.9
143.08559	5.4
145.10127	15.8
147.08078	16.6
147.11812	1.5
149.09616	4.4
149.13321	1.1
153.09146	1.4
156.89233	1.0
157.10139	7.4
158.52690	1.0
159.08029	1.6
159.11725	4.2
161.09578	6.9
163.11201	1.9
171.10219	1.5
171.11691	4.0
173.13243	4.9
175.11205	1.8
185.13283	1.5
189.11293	8.6
193.12202	7.9
199.11180	1.2
199.14873	1.1
201.12772	1.4
217.15942	1.6
219.13844	5.8
223.13316	3.9
227.17995	1.4
249.14906	5.3
255.17447	5.7
273.18491	31.6
291.19547	100.0
298.41855	0.8
309.20587	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	309.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
56.75351	0.3
57.04556	0.7
57.73923	0.3
60.61706	0.3
72.08166	28.4
73.06547	0.5
74.07187	0.4
75.54307	0.3
75.67841	0.3
84.08169	1.1
84.36389	0.3
89.10789	0.5
92.17825	0.3
97.07645	1.4
98.06032	0.6
107.21867	0.3
114.09152	0.7
114.10296	9.2
115.08703	3.6
123.04430	15.4
128.11830	4.9
129.09465	0.4
129.10263	6.7
129.11122	0.6
130.49397	0.3
135.91159	0.3
137.05983	0.6
150.09140	0.8
163.03883	1.3
164.04141	0.5
165.05484	23.8
178.08675	2.0
215.13948	0.4
235.14420	16.1
236.12827	62.1
236.82993	0.3
243.56265	0.3
244.40843	0.3
253.15454	6.5
261.12225	0.4
265.04172	0.3
278.15030	4.8
292.16592	5.3
309.19232	100.0
318.97424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61927	0.5
55.05502	0.6
57.04556	0.6
72.07749	0.9
72.08156	26.7
73.06538	0.6
74.07189	0.8
78.60408	0.5
95.69534	0.5
95.74242	0.4
96.97040	0.5
97.07672	0.6
99.09666	0.4
114.10283	9.3
115.08672	2.9
123.03613	0.9
123.04427	16.2
128.11861	4.1
129.10231	7.1
150.09209	0.7
154.76091	0.5
165.05463	26.8
178.08578	1.2
181.35661	0.5
204.87355	0.5
217.29047	0.6
235.14417	17.6
236.12808	58.7
253.15437	4.4
278.15009	5.5
292.16547	4.3
309.19211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05011	0.4
56.57513	0.4
71.06546	0.5
72.08160	29.3
73.04031	0.5
73.06511	0.9
85.24754	0.6
88.96320	0.6
97.07661	4.0
98.06043	1.0
114.10297	36.2
115.08698	8.6
119.26809	0.5
131.12859	0.7
137.05984	43.6
147.04453	0.8
179.07030	18.9
188.67674	0.5
212.37865	0.5
234.13599	0.6
249.15981	14.2
250.14380	47.8
267.17191	0.7
292.16550	11.4
309.19211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.156
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.22004	0.4
58.06604	0.6
70.06300	0.6
70.06603	11.2
72.08151	2.3
84.08165	0.7
87.09247	0.6
88.07626	0.6
88.51311	0.6
91.86111	0.6
94.59673	0.6
96.20055	0.6
101.07128	3.8
105.10278	1.3
112.08727	1.5
113.07132	8.1
117.03343	0.9
122.07161	1.0
129.11346	3.8
130.09769	6.6
135.04437	2.3
145.02831	4.7
162.49684	0.6
163.03902	100.0
232.09691	3.5
275.10263	2.7
279.14481	1.0
291.14453	2.4
292.12823	7.1
309.15564	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39829	0.4
55.05508	0.5
72.08157	26.2
73.06524	0.9
74.43163	0.5
97.07645	3.8
103.69026	0.5
114.09121	1.3
114.10292	33.8
115.08685	9.5
131.08577	0.6
137.05981	41.8
164.85248	0.5
179.07033	15.4
249.15968	12.0
250.14372	44.7
267.17123	0.9
275.13831	0.9
292.16595	11.4
309.19208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
59.42052	0.6
60.05657	26.3
68.99770	0.7
70.06580	4.8
72.08161	46.1
72.46066	0.9
73.06532	4.9
84.08147	0.9
89.10741	1.3
97.07622	5.1
98.06030	4.1
101.07117	0.8
114.09116	1.5
114.10291	46.3
115.08726	2.6
123.04353	1.0
130.09743	1.1
131.12926	100.0
137.02341	9.5
147.04311	1.0
157.10814	4.5
163.03909	14.3
165.05537	1.0
178.04956	1.6
179.03398	12.1
194.05405	1.6
230.05283	1.1
250.10681	5.4
291.10654	1.2
292.12973	1.2
309.11633	8.9
309.15503	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	309.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10580	0.2
55.05539	0.3
61.80685	0.2
70.06619	1.2
72.08162	20.3
84.08152	6.8
87.08025	0.3
89.03930	0.6
92.27598	0.3
93.43990	0.3
94.24180	0.3
97.07657	1.1
98.06071	1.1
101.10781	0.5
107.04990	0.4
114.10252	2.1
114.73882	0.3
117.03396	1.4
127.08647	0.4
129.11392	0.3
130.08652	20.0
135.04417	4.3
145.02864	7.3
147.04399	1.7
147.11298	20.3
157.10812	0.5
163.03903	100.0
164.96066	0.3
175.03941	0.3
179.03351	1.3
179.36638	0.3
190.85097	0.3
209.82056	0.3
232.09654	0.4
234.11272	4.6
263.13956	0.6
291.14066	0.4
293.15994	0.3
309.14453	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80223	0.5
55.05513	0.9
58.77268	0.5
61.28202	0.5
63.28778	0.4
67.05504	2.0
68.04427	0.4
69.06152	0.4
69.07054	0.8
71.08601	0.6
73.16955	0.4
79.05482	0.9
81.07064	3.6
83.04967	0.5
83.08607	0.8
91.05515	0.7
93.07040	2.4
95.04985	0.9
95.08590	2.9
97.10181	0.9
105.07051	0.8
107.08595	1.1
109.06535	0.8
109.10188	1.1
110.42194	0.5
111.08071	0.5
119.08564	0.6
121.10136	1.0
123.08067	1.0
125.09615	1.0
133.10127	1.0
135.08035	0.5
145.10114	0.5
163.11166	0.7
165.12692	0.9
171.11681	0.5
175.11095	0.6
181.12276	0.6
189.11176	0.6
193.12323	0.7
273.18390	1.1
291.19504	8.3
309.13098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0903
Annotation	Alprazolam
Peak:m/z	Relative Intensity
55.05519	2.3
62.27077	0.2
69.07076	0.2
70.06281	0.3
70.06602	3.9
72.08163	20.8
72.55020	0.2
72.67541	0.2
84.04509	0.3
84.08146	0.4
84.10347	0.2
86.09695	1.1
97.01125	0.3
98.06058	0.9
101.78650	0.2
109.67212	0.2
113.07115	1.0
114.09191	0.9
128.07111	0.4
163.03934	0.4
163.42848	0.3
173.54637	0.3
178.97841	0.3
179.01625	0.3
192.99564	51.6
195.01155	0.5
204.07516	0.2
206.97456	2.7
210.02267	3.8
211.00606	1.2
220.99048	100.0
223.00569	2.4
238.01709	8.9
250.01649	1.2
250.10632	0.3
264.06900	2.0
278.04895	0.5
292.06387	44.6
309.09036	53.6
309.16678	1.0
309.22833	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	309.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05959	0.2
55.05517	3.7
64.69112	0.2
66.23978	0.2
67.05494	0.2
69.03412	0.3
69.06694	0.4
69.07072	11.7
70.06595	3.6
72.08161	25.8
84.04437	0.2
84.08149	0.6
84.54387	0.3
85.02895	0.6
86.09711	1.5
89.64536	0.3
94.77792	0.2
96.59351	0.3
97.02838	0.3
97.07678	0.4
98.06038	1.1
98.42645	0.2
108.10594	0.2
111.11707	5.1
113.07127	0.5
114.10294	6.4
115.08686	1.6
129.12756	4.4
129.43848	0.2
137.05991	6.6
147.04373	0.6
147.09154	0.3
148.93564	0.3
151.02176	0.2
178.08472	0.3
179.07115	3.8
187.28249	0.3
192.99551	50.0
195.01076	1.0
206.97446	3.3
210.02188	3.6
211.00591	0.4
217.85703	0.3
220.99034	100.0
223.00528	2.4
237.99440	0.5
238.01703	9.6
249.15961	3.4
250.01651	1.8
250.14346	8.4
264.06876	1.8
267.16998	0.2
278.04868	1.1
292.06375	42.7
292.16531	2.5
309.09018	54.9
309.19165	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	308.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88682	1.0
51.91229	0.9
55.05516	9.8
55.28982	0.9
56.85422	0.8
57.07071	2.3
67.05486	5.2
69.07072	16.4
69.12529	1.1
70.92780	0.9
72.04523	85.1
81.07066	7.8
83.08627	11.6
93.07037	1.4
95.08611	10.5
97.10167	5.1
100.07610	2.4
109.10144	6.1
114.09173	11.2
123.11642	1.4
128.10762	8.7
142.12289	7.0
156.13835	5.4
168.13866	1.8
170.15376	2.3
175.69022	1.1
198.18573	1.5
292.95078	1.1
308.29480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2584
Annotation	Fingolimod
Peak:m/z	Relative Intensity
55.05509	2.3
57.07072	2.7
59.04588	1.1
64.72147	1.3
67.05499	5.6
68.59785	1.2
69.07066	11.3
71.08633	21.4
79.05487	7.3
81.07067	17.3
83.08619	5.8
85.06554	1.2
93.07037	11.1
95.04976	1.4
95.08620	13.9
97.06542	3.0
97.10149	1.8
99.07519	1.3
99.08072	13.2
105.07044	3.4
107.08629	9.7
109.06524	16.1
109.10165	8.4
119.08607	5.7
121.10134	5.7
122.39254	1.6
123.08076	2.5
131.08560	1.8
133.10143	3.3
135.11678	2.3
137.09579	2.0
137.49149	1.5
147.11737	1.6
149.13191	2.1
151.11176	2.0
159.11641	1.3
165.12755	41.4
173.13263	1.4
175.14790	6.0
183.79198	1.5
193.15866	2.7
235.16928	7.5
243.62148	1.4
291.23169	83.1
308.25867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2223
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
53.54147	0.4
55.84581	0.4
58.26685	0.4
59.74187	0.4
63.06356	0.4
64.19053	0.4
72.08160	0.9
76.02232	0.7
105.07013	0.6
128.07762	0.5
136.07611	0.6
158.69450	0.6
163.03896	0.7
179.13036	0.7
192.13823	0.6
262.21686	4.5
290.21149	43.8
308.22223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2586
Annotation	Fingolimod
Peak:m/z	Relative Intensity
52.86309	1.1
55.05510	5.7
57.07080	2.3
63.35309	1.9
64.60659	1.4
65.18679	1.4
67.05503	9.2
69.07063	9.9
71.04987	1.6
71.08343	1.4
71.08643	22.9
76.19852	1.5
79.05474	6.4
81.07061	13.6
83.04984	1.8
83.08631	2.2
83.26418	1.5
91.05466	2.1
93.07072	15.1
95.08617	18.1
97.06515	2.8
97.10155	3.2
97.59249	1.4
99.08094	9.8
105.07036	2.6
107.08600	14.6
109.06517	14.1
109.10155	8.5
111.08018	1.5
119.08559	2.3
121.10156	6.0
123.11665	2.5
126.09942	1.7
133.10132	5.6
135.11674	5.5
137.05978	8.9
145.10095	2.1
147.11700	3.4
149.09607	2.3
149.13263	2.9
151.14828	1.7
153.62744	1.6
161.13293	2.5
165.12752	41.6
175.14845	8.5
179.14299	2.6
189.16350	1.6
191.35115	1.3
193.15871	6.2
197.18503	1.4
210.18449	2.2
235.16882	6.3
243.96098	1.4
276.20398	2.4
291.23196	78.0
308.23172	5.7
308.25845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	3.3
68.35814	0.7
72.08161	75.3
75.09253	8.8
84.08131	1.1
108.49992	0.7
112.11249	8.2
117.03328	1.0
129.13872	14.0
135.04457	2.9
145.02843	4.6
146.16563	1.2
155.11740	1.8
163.03900	97.4
220.09689	100.0
237.12321	13.4
252.98499	0.8
291.17026	23.1
291.35556	0.7
308.19696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42842	0.4
51.43099	0.4
58.06597	0.9
66.71008	0.5
72.08157	55.2
75.09246	4.0
84.08146	0.9
85.85998	0.4
98.06004	0.5
98.09646	0.4
112.11244	5.0
129.13895	4.8
131.12891	0.7
135.04404	1.0
145.02823	2.0
146.16565	0.5
155.11768	1.1
163.03897	67.7
178.04980	5.2
191.75407	0.4
220.09683	100.0
226.44386	0.4
237.12305	6.4
291.17032	14.8
308.19720	77.2
314.46240	0.5
323.64685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05538	0.2
57.97173	0.2
69.07073	2.6
86.09714	41.4
87.04506	0.3
93.07078	0.8
94.06590	0.3
95.08585	0.2
97.06572	0.3
103.15637	0.2
105.07045	0.4
107.08605	0.2
117.11823	0.2
119.08554	0.2
121.10121	0.8
125.01643	0.2
132.10219	15.5
135.08064	1.3
149.09630	100.0
163.03917	0.3
170.09612	0.2
180.10222	0.4
262.18030	9.5
284.10257	0.2
290.11005	0.2
290.17596	0.9
291.72180	0.2
308.12000	0.8
308.18555	13.0
308.61655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.18
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42188	0.4
57.30455	0.5
60.05640	2.4
65.45363	0.6
72.08159	3.9
73.08481	1.2
73.52142	0.5
73.83832	0.4
79.98251	0.5
89.03895	0.8
89.98422	0.5
90.89238	0.5
92.18501	0.9
97.07630	1.1
98.58691	0.6
105.85931	0.6
114.10291	15.1
115.08677	2.0
115.09943	0.6
115.10620	7.2
117.03357	0.6
125.34475	0.5
131.12950	3.6
132.13226	2.7
145.02837	0.9
146.03212	0.8
149.05946	0.8
156.54999	0.5
162.99921	0.5
163.03877	3.9
164.04198	5.1
167.18056	0.5
177.05467	66.3
178.05798	100.0
248.14742	5.0
249.13171	5.4
255.96481	0.6
291.15186	5.3
308.17938	99.5
309.68680	0.6
324.83087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05634	2.8
62.04908	0.5
67.51883	0.5
69.70823	0.5
70.69442	0.5
72.08167	5.6
73.08479	1.2
73.30379	0.5
81.55885	0.6
97.07697	0.9
114.09522	0.8
114.10292	14.2
115.08649	0.6
115.09939	0.8
115.10622	7.6
115.77586	0.6
116.09040	0.5
117.03298	0.8
131.12924	6.4
132.13252	3.6
145.02843	16.5
146.03183	20.4
177.05470	68.2
178.05804	98.7
248.14719	2.8
249.13147	3.2
253.90073	0.7
291.15350	6.0
308.17947	100.0
308.37753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.6
57.03424	1.7
58.99576	1.2
67.05183	1.1
67.05509	22.6
69.03416	1.6
69.07056	4.2
71.04998	88.2
72.08114	1.2
76.02204	2.0
79.05472	2.3
81.06602	1.3
81.07061	24.5
83.04976	5.9
85.06548	100.0
86.99057	3.6
91.05481	24.5
93.07047	12.0
95.04969	1.1
97.06522	1.4
99.04443	1.2
105.00073	4.6
105.07030	14.2
107.08599	28.1
109.06487	1.9
109.10166	41.9
113.06028	1.3
121.10115	2.1
122.02726	10.2
123.11694	10.1
125.09570	2.0
127.07463	1.8
133.10133	92.7
139.11159	6.3
139.93770	0.9
151.11194	69.5
157.12245	1.8
163.03871	1.6
169.12228	88.7
177.05460	4.5
178.05757	6.0
184.96021	1.1
187.13309	15.2
201.09621	2.8
203.37186	1.1
223.47124	1.0
245.11978	2.3
268.44324	1.0
290.14117	1.8
291.12582	63.8
292.24051	1.0
308.15195	80.4
308.17932	5.0
324.26978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
62.61047	0.5
67.72808	0.6
72.08126	1.2
74.06109	0.7
84.04520	0.6
84.05633	9.8
84.08121	1.4
86.06068	1.0
97.07674	0.9
98.07147	0.7
100.98444	0.7
110.07192	0.6
113.09525	0.7
114.10328	1.2
138.10272	49.6
139.11035	1.0
140.26108	0.6
148.07579	0.8
150.05818	0.7
159.07617	0.6
166.08620	0.7
166.13300	1.1
169.16373	0.6
176.07179	0.7
194.08147	2.2
254.11307	1.1
262.15540	8.1
280.16495	4.2
290.14853	1.2
308.16058	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.9
70.06596	34.0
72.08157	16.0
76.02216	4.1
82.37791	0.6
84.04499	1.8
84.08150	1.5
90.08395	0.7
94.06599	0.9
95.04971	1.7
98.06066	0.7
110.06050	3.8
112.11282	1.2
121.02853	4.8
122.05962	0.8
123.04341	0.8
129.13826	1.1
133.02838	3.8
138.05524	1.0
138.55717	0.8
139.03896	1.4
140.07051	4.1
150.05505	9.1
151.03891	3.0
153.05467	33.8
162.02179	0.9
163.03899	19.4
164.04208	1.6
168.06619	6.4
177.05396	1.0
178.02618	3.1
178.04979	2.8
179.04840	0.9
187.07527	1.7
193.04962	52.7
201.09239	0.8
203.03482	0.9
205.08627	1.1
215.07074	1.7
217.08653	1.1
219.10208	1.0
220.09688	16.1
221.04446	6.9
224.09189	1.3
227.07024	3.6
229.04968	31.7
230.08087	5.8
233.08093	4.1
237.12363	1.4
241.04935	0.8
243.06525	0.8
244.09706	3.4
245.08055	1.3
255.06535	1.1
258.07562	1.1
259.08429	1.4
261.07587	13.4
262.10748	3.3
264.12314	1.3
272.09286	3.2
273.07489	5.3
280.11765	11.8
290.10211	28.7
290.13202	1.3
291.08746	1.1
291.17029	3.5
308.11288	100.0
308.19525	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43287	0.1
55.80821	0.1
57.03446	0.3
59.21450	0.1
61.02932	0.7
63.17292	0.1
67.05511	0.7
69.03440	2.3
71.05004	2.4
73.02924	0.6
76.02223	0.2
79.05482	0.1
81.03432	1.1
81.07076	0.9
85.02910	5.5
85.06546	2.5
86.09722	0.2
87.04469	0.7
91.03962	0.3
91.05478	1.5
93.07053	0.2
97.02901	2.2
99.04462	0.6
105.07021	0.7
107.08612	0.6
109.02884	0.6
109.06499	0.2
109.10161	1.2
112.00221	0.1
118.06548	33.0
121.33636	0.1
122.02739	0.2
123.11708	0.3
127.03905	1.3
127.07526	0.1
133.10138	2.9
139.11188	0.2
142.23242	0.1
145.04959	0.5
146.06020	100.0
151.11194	2.1
169.12247	2.8
187.13272	0.5
188.07095	0.2
192.08507	0.6
291.12524	1.8
308.06577	0.7
308.11304	20.9
308.15167	1.8
308.18930	0.6
308.22186	0.7
329.42349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0913
Annotation	Glutathione
Peak:m/z	Relative Intensity
52.89857	0.7
58.99591	8.6
66.49874	0.8
72.08146	0.8
76.02232	100.0
76.03989	2.1
84.04022	1.8
84.04504	38.8
84.05007	1.3
85.62798	0.7
86.99046	1.7
88.02238	1.1
98.78648	1.0
116.01678	27.4
130.05006	16.3
142.03217	10.7
144.01123	19.3
162.02196	42.1
170.02730	5.3
177.31850	0.9
179.04851	52.2
187.05391	4.9
215.04886	1.7
227.04997	1.0
233.05881	17.8
245.05809	1.9
283.79880	1.0
290.08237	1.3
291.06461	3.9
308.09100	29.1
308.17642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29622	1.2
51.70129	1.1
57.07083	25.1
59.46239	1.3
61.49393	1.5
61.82626	1.2
62.30140	1.4
64.42879	1.2
67.63786	1.3
71.08630	32.4
83.87743	1.3
89.06033	100.0
89.87672	1.4
92.18476	3.2
105.07107	1.5
107.07085	7.5
107.08587	1.6
119.08614	1.7
125.34465	1.4
127.01410	1.4
133.08598	29.0
133.09564	1.7
133.10056	1.9
151.09648	2.6
165.12755	2.0
166.13097	2.8
172.64072	1.6
177.11234	6.6
195.12280	64.3
222.15517	1.6
267.06586	1.7
290.22122	2.3
307.24863	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	307.2272
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
50.05302	3.6
55.05527	6.9
57.03416	5.2
57.07075	10.4
60.38808	3.5
67.05507	18.9
68.06184	4.6
69.07060	18.7
79.05489	9.3
81.07065	21.0
83.08591	7.1
85.06561	16.2
91.05486	6.7
93.07061	10.0
95.08619	22.1
97.06548	5.6
105.07024	18.7
107.04969	6.2
107.08610	24.9
109.06517	39.8
109.10168	10.3
119.08614	16.9
121.06496	8.5
131.08594	7.0
133.10150	19.2
135.08067	10.8
135.11707	8.0
145.10112	6.5
146.70374	4.9
147.11696	6.8
149.13257	7.1
157.20990	4.4
158.60774	4.1
159.11835	5.3
163.11179	14.5
165.12752	10.9
173.13206	5.9
175.98291	4.8
177.05489	29.5
177.12877	5.9
178.06679	4.6
205.12259	65.6
261.18481	4.4
261.22171	18.5
264.07932	4.7
289.18060	59.4
289.21634	100.0
291.42572	5.0
292.77899	6.5
307.18820	43.1
307.22772	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03947	1.5
54.63756	1.2
55.01876	7.7
55.05520	14.3
57.03447	21.6
57.07087	2.5
58.72063	1.1
59.04987	1.1
67.05511	21.2
69.07064	8.2
71.05013	1.4
72.77870	1.1
79.05501	26.4
81.03419	5.0
81.07071	34.6
83.04998	5.2
83.08620	7.2
85.06541	5.9
91.05498	20.4
93.07058	27.2
95.04971	6.1
95.08612	24.4
95.51013	1.2
97.06535	6.5
97.10178	9.3
99.04501	1.4
99.12665	1.3
105.06395	1.3
105.07043	25.9
107.04939	9.3
107.08601	26.6
109.06533	9.6
109.10175	10.8
111.08084	2.4
117.07016	7.8
119.02763	1.2
119.08581	19.0
121.06512	3.0
121.10161	15.1
123.08080	7.6
123.11709	2.9
125.09633	16.5
129.07011	2.1
131.08594	17.3
133.10155	16.7
135.08072	6.3
135.11700	6.4
137.09604	5.6
145.10162	10.9
147.11685	9.6
149.09630	18.5
151.11232	1.9
153.09077	2.1
159.11688	8.2
161.13272	1.9
163.11203	2.2
173.13277	6.3
175.14824	2.0
177.05421	1.3
177.12782	4.6
178.88062	1.2
185.13242	5.5
201.16457	5.2
203.12598	9.2
203.14458	9.6
209.15378	5.5
219.17444	100.0
219.60924	1.3
229.19414	2.0
235.17007	8.5
239.18007	1.5
257.18945	10.0
275.20074	43.4
289.21542	1.6
307.22760	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	307.2271
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
58.92473	5.0
59.72554	5.4
67.05470	7.5
67.50084	6.4
67.83862	5.7
81.07067	6.8
93.07044	7.8
94.79616	6.0
97.06508	7.6
104.78620	7.0
131.08548	13.5
135.08073	8.3
146.16994	7.1
152.69902	7.2
173.13193	7.0
183.80380	7.0
188.00246	6.8
275.20093	61.2
307.22815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2271
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.72277	1.2
55.01888	8.4
55.05525	17.5
57.03446	1.6
67.05516	21.5
68.32736	1.1
69.07074	9.8
69.45449	0.9
70.89996	1.1
71.04977	1.2
79.05502	33.1
81.03441	1.9
81.07069	23.0
83.04979	2.5
83.08634	13.2
84.54217	1.1
85.06554	1.6
91.05482	13.3
91.66438	1.1
93.07067	22.8
95.04973	7.0
95.08622	21.0
97.06539	15.5
97.10179	24.5
105.00865	1.1
105.07043	23.5
107.04987	10.1
107.08610	100.0
109.06522	5.8
109.10172	9.1
111.08073	2.1
114.06402	1.2
117.07030	6.9
119.08595	15.2
121.06521	1.2
121.10168	10.5
123.08044	2.2
123.11713	1.5
125.09646	24.3
131.08551	10.2
133.06505	1.6
133.10150	16.1
135.08054	10.7
135.11687	8.1
137.13348	1.4
141.06996	1.5
143.08577	1.3
145.10175	14.4
147.11700	15.1
149.09633	17.7
151.11157	2.8
153.09088	2.4
157.10175	1.8
159.08035	1.5
159.11678	12.9
161.13234	5.3
163.11186	7.6
169.10149	2.6
171.11768	1.5
173.13255	5.8
175.11174	1.5
181.12361	1.5
183.11676	1.3
184.07571	1.5
203.12794	24.1
203.14525	1.3
205.12212	1.7
212.74060	1.2
217.94684	1.4
219.17424	7.2
227.58546	1.2
229.19556	2.0
235.16911	1.8
239.18004	7.3
247.20554	1.2
257.19006	15.3
275.20068	64.7
279.65524	1.2
289.21658	18.1
307.22644	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01868	7.5
55.05522	14.5
57.03421	2.6
57.18613	1.2
67.05515	22.8
68.22623	1.5
69.03402	1.5
69.07075	18.7
71.04977	1.3
79.05495	19.8
81.03406	2.3
81.07065	27.0
83.04968	3.0
83.08614	10.5
83.83277	1.4
85.06529	2.2
91.05498	14.3
93.07051	23.5
95.04971	10.9
95.08614	23.2
97.06538	9.1
97.10181	15.6
99.08128	1.5
105.07027	18.8
107.04954	3.0
107.08595	50.4
109.06519	47.6
109.10168	14.9
111.08087	5.7
117.07071	2.4
119.08575	20.2
121.06469	2.3
121.10165	16.6
123.08058	7.5
123.11735	5.8
125.09657	10.7
131.08542	11.4
133.10132	16.5
135.08041	5.6
135.11711	5.9
137.09660	10.1
145.10135	12.5
147.11740	9.9
149.09607	13.9
149.13269	3.1
151.11194	5.8
155.08728	1.4
157.10098	1.6
159.11728	10.0
161.13284	5.8
163.11154	5.5
165.09097	1.9
165.12685	1.9
171.11642	1.9
173.13257	5.5
175.11226	1.7
177.05440	2.5
177.12743	2.6
197.13246	2.5
203.12788	9.5
206.54504	1.5
219.17422	2.5
233.15376	1.9
239.17947	2.1
251.16357	7.6
257.19019	6.3
258.59689	1.6
275.20090	35.7
289.18643	1.9
289.21539	14.0
307.22702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	25.4
55.05510	29.0
58.42977	3.9
58.50156	4.2
58.90865	4.9
62.50581	3.6
67.05508	44.6
69.07053	19.6
79.05502	33.5
81.03419	4.3
81.07066	78.9
82.26163	4.7
83.08621	27.0
91.05465	29.9
93.07038	43.2
95.04953	23.0
95.08613	38.3
97.06539	35.2
97.10170	20.7
98.42844	4.5
105.07037	33.1
107.04958	10.4
107.08604	90.8
108.59634	3.9
109.02895	4.2
109.06509	34.0
109.10163	21.5
111.08109	4.9
117.07024	17.0
117.46641	3.7
119.08600	26.0
121.06490	4.6
121.10120	32.4
123.08008	15.5
123.11768	6.1
125.09624	10.1
127.64643	4.7
131.08575	22.6
133.10097	31.7
135.08015	8.9
135.11725	9.8
137.05997	7.0
137.09636	7.7
139.07565	5.6
145.10130	23.9
147.04195	4.9
147.08040	5.1
147.11674	17.7
149.09595	23.6
151.11130	7.4
157.10043	7.2
159.11691	18.9
161.09587	5.4
161.13322	5.8
163.11171	21.0
169.10204	4.6
171.11752	5.6
187.11143	6.5
187.14757	4.7
203.12814	24.0
215.22034	10.4
239.17934	4.6
257.19028	8.4
261.18518	5.4
275.20059	100.0
275.22842	5.6
279.29492	4.8
289.17996	41.8
289.21265	7.2
307.09521	4.7
307.18988	49.0
307.22739	78.6
307.26617	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
54.17557	1.8
55.01875	7.8
55.05527	17.4
55.15596	1.8
57.03429	9.9
67.05516	40.3
68.65122	2.1
69.03434	2.0
69.07081	25.7
71.04996	4.3
73.06512	2.0
79.05496	31.2
80.94577	2.0
81.03407	2.5
81.06615	2.8
81.07072	67.6
83.04985	3.4
83.08617	14.5
85.06573	2.3
91.05486	24.7
92.18147	3.8
93.07049	37.6
95.04979	33.5
95.08616	51.0
97.06551	15.3
97.07111	2.0
97.10164	8.7
99.51875	2.1
105.07029	35.7
107.04942	9.4
107.08598	36.3
109.06506	18.8
109.10176	22.5
109.10830	2.5
110.72507	1.9
111.08100	2.9
117.07030	11.5
119.08573	46.6
121.10139	28.5
123.08081	17.9
123.11710	12.3
131.08565	17.5
133.10132	40.9
135.08037	8.8
135.11691	13.1
137.09618	12.6
144.31718	1.9
145.10110	18.0
147.11702	23.3
149.09657	15.4
149.13225	4.9
151.11186	7.8
155.60313	2.1
157.10124	4.1
159.11661	15.9
161.09552	2.6
161.13255	12.6
163.11179	14.6
164.34731	2.0
165.12697	3.4
171.11673	2.6
173.13242	10.5
177.12726	2.5
183.11803	3.8
185.13213	8.6
193.12360	2.9
201.12752	2.4
203.14392	3.2
219.17406	9.0
229.19658	2.4
239.17995	4.9
247.20660	3.4
257.19003	12.0
275.20062	100.0
289.21619	23.2
307.22629	83.5
307.25845	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	307.2269
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
55.01876	0.8
55.05521	1.3
58.97722	0.5
60.32213	0.5
67.05507	4.2
69.03426	0.8
69.07077	6.5
70.65943	0.5
71.04984	0.9
79.05486	2.5
81.07063	7.6
83.08607	2.6
85.06548	0.7
91.05465	0.8
93.07037	4.9
95.04958	3.1
95.08607	7.9
97.06519	6.2
105.07045	3.9
107.08599	3.8
109.06521	51.6
109.10165	1.3
119.08604	4.3
121.06500	1.2
121.10160	4.0
123.08043	3.7
123.11658	0.7
125.09503	0.6
131.08533	2.3
133.10135	2.1
135.08070	1.0
135.11671	1.0
144.59537	0.5
145.10101	2.5
147.11653	2.9
149.09608	2.8
159.11702	0.8
161.13219	1.0
163.11240	0.9
163.14731	0.6
165.12776	2.8
173.13235	2.2
175.11136	0.7
191.14284	2.7
197.13358	0.7
233.15433	1.0
247.20624	0.7
251.16422	12.3
289.21625	6.4
307.22672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
56.94905	10.8
58.66985	10.7
68.04108	13.7
69.07076	15.0
72.15694	13.2
73.17563	11.2
81.01466	9.9
81.07054	18.5
82.57623	10.8
83.08598	11.7
93.07045	24.3
95.08595	14.4
97.58797	13.3
105.06978	23.0
121.06551	13.1
121.10126	19.2
131.08533	13.6
133.10115	17.6
135.07970	14.9
177.05457	60.2
257.18768	12.6
275.20099	77.5
307.17624	42.8
307.23007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2127
Annotation	Ruscopine
Peak:m/z	Relative Intensity
51.73028	0.5
55.05505	0.8
60.04521	2.5
66.75490	0.5
69.07097	0.7
72.04151	0.9
72.04519	17.5
72.08157	25.7
79.02945	0.4
81.07063	1.1
95.08611	0.9
109.10146	0.8
114.09169	77.1
125.05832	0.6
126.06644	1.1
138.06616	5.9
142.78128	0.5
165.10648	0.4
179.10542	0.5
194.12915	8.9
197.27017	0.6
210.32796	0.5
219.17409	5.3
238.14195	0.6
251.15016	0.9
307.21292	100.0
307.24527	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	307.227
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.38749	1.4
55.01873	2.6
55.05521	11.9
56.83391	1.5
57.07064	2.3
66.63137	1.4
67.05519	21.6
69.03426	2.5
69.07074	15.8
71.04976	2.2
71.08622	2.7
74.09166	1.7
79.05503	15.8
81.03399	2.6
81.06679	2.4
81.07075	32.8
83.04981	4.1
83.08614	7.1
85.06556	1.8
91.05481	16.5
92.50855	1.9
93.07056	18.9
95.04970	13.5
95.08614	25.0
97.06538	6.1
99.08092	1.9
105.07027	12.1
107.08611	15.1
109.06524	13.0
109.10188	14.0
111.04430	4.0
111.08091	2.2
117.07001	3.3
119.08580	22.0
119.42414	1.9
121.10126	9.5
123.08064	7.9
125.09653	2.9
129.07068	2.3
131.08560	10.3
133.10126	13.3
135.08073	3.2
135.11681	6.9
135.73602	1.6
137.09628	10.2
145.10129	15.9
147.08035	2.5
147.11690	9.9
149.09639	9.8
149.13187	2.5
151.11154	7.4
155.10666	6.5
159.11702	11.4
161.13248	3.3
163.11125	8.5
165.12750	8.5
169.10254	1.9
173.13243	7.2
177.12712	2.0
197.13315	2.0
229.19461	2.4
239.17952	2.1
257.18893	3.9
275.20081	50.2
289.21631	11.9
290.89301	1.8
299.52396	1.9
307.22678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2131
Annotation	Ruscopine
Peak:m/z	Relative Intensity
54.55450	0.3
55.05502	1.4
60.04521	1.9
70.06584	1.8
71.04992	0.5
72.04524	10.2
72.08160	21.9
78.22189	0.3
84.04485	0.6
85.06561	0.4
86.09691	0.6
90.90117	0.3
91.05505	0.4
98.06052	0.7
109.06493	0.6
109.78169	0.3
114.09172	57.4
115.08678	0.5
126.66210	0.4
127.07563	2.9
130.05006	0.4
134.07115	1.8
145.02859	0.4
146.55127	0.4
151.07613	0.4
157.07599	0.4
160.07628	0.4
162.32782	0.3
163.03899	0.8
176.11819	9.5
177.05478	0.7
183.94437	0.4
191.08116	1.2
194.12892	6.8
202.10829	0.4
203.08122	0.4
203.11049	3.2
245.75499	0.3
285.20020	0.5
289.20200	3.4
307.13364	2.8
307.21283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04568	0.6
60.04533	1.0
60.55042	0.5
72.04529	11.6
72.08163	32.9
77.67556	0.6
83.75480	0.6
86.27761	0.5
89.03928	0.7
89.10804	7.2
98.05994	0.6
114.09172	51.9
114.10286	9.1
115.08686	1.3
122.07230	0.6
124.82635	0.7
128.11847	23.2
129.10231	4.8
134.07126	1.3
135.04445	0.7
145.02864	3.5
163.03903	100.0
176.07130	0.7
176.11829	10.8
177.05478	6.3
194.12689	0.7
228.59915	0.6
233.12862	11.4
234.11241	20.1
251.14055	4.5
276.13351	2.5
290.15070	4.6
307.17664	82.8
307.21326	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	307.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
60.04543	3.1
72.04529	15.5
72.08163	25.0
114.09177	76.6
125.05882	0.5
126.06628	0.7
134.69037	0.5
138.06642	5.9
173.91518	0.4
194.12929	10.3
237.07391	0.4
250.64912	0.4
251.15143	0.6
266.81161	0.5
279.06711	0.5
304.48935	0.4
307.21301	100.0
312.23080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2057
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
52.49080	1.6
55.01871	2.7
55.05514	2.6
57.03453	2.4
67.05508	13.9
69.03415	1.9
69.07070	13.4
71.05024	2.1
79.05505	20.4
81.03401	3.1
81.07063	25.6
83.04989	3.6
91.05473	14.7
93.07045	21.6
95.04966	28.4
95.08607	14.5
97.06529	18.0
97.10191	2.4
105.07043	27.8
107.04996	3.4
107.08633	13.4
109.06532	7.9
109.10170	3.3
117.07024	7.6
119.08576	36.3
121.06511	8.2
121.10143	14.7
123.04402	2.9
123.08059	2.8
128.06241	3.9
129.07022	9.8
130.07797	2.3
131.08562	22.3
133.10138	44.7
135.08061	3.0
135.11720	3.2
141.07002	2.4
142.07776	11.7
143.08575	29.3
145.06473	3.9
145.10127	28.6
147.08064	7.9
147.11688	10.0
149.09628	3.5
154.07758	3.9
155.08554	9.0
156.09341	9.9
157.10120	21.6
158.10898	7.3
159.08073	6.0
159.11636	18.9
161.09601	10.6
167.08594	8.8
169.10159	20.2
171.11723	19.3
173.09644	3.1
173.13246	14.9
177.05490	3.0
181.10129	8.6
182.10953	17.7
183.11720	11.7
184.12697	2.6
185.09723	2.2
187.11191	7.8
193.10150	8.8
194.10966	6.1
195.11713	14.8
196.12457	4.3
197.13283	23.3
198.14026	2.1
199.14827	7.5
206.10916	7.6
207.11749	11.1
208.12540	11.3
209.13211	22.0
211.14870	9.7
219.11774	3.6
220.12546	4.2
221.13239	24.1
222.14130	2.2
223.11276	2.8
223.14793	12.8
231.11516	2.4
232.12459	3.9
233.13274	9.5
234.14064	3.2
235.14867	6.6
237.12727	2.7
237.16495	3.5
243.09108	2.3
245.13376	3.2
246.14090	3.1
247.14885	6.7
248.15552	3.5
249.16447	3.7
251.14351	8.4
251.18002	2.2
259.14880	9.0
261.16434	1.9
263.17932	13.7
274.17053	12.5
279.21219	3.3
284.04361	1.7
289.19934	13.5
307.20529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63279	0.3
59.97754	0.2
60.05642	1.1
63.00722	0.6
67.05521	0.3
70.06618	0.3
70.79447	0.2
72.08163	3.5
81.37755	0.3
86.09732	0.6
87.85414	0.3
89.03928	0.4
94.35653	0.2
94.36246	0.3
97.07644	1.3
98.06033	0.3
109.10146	0.4
114.10284	12.2
115.08704	2.0
117.03372	0.6
121.02805	0.3
131.12935	3.0
137.05972	0.3
145.02843	10.7
149.05992	0.7
153.30112	0.3
157.10825	1.2
163.03938	2.1
169.16449	0.3
177.05466	100.0
189.01767	0.5
198.11278	1.9
207.02902	0.3
223.90637	0.3
247.14417	3.3
248.12914	3.3
290.14948	4.4
305.21240	0.3
307.06100	2.9
307.17624	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	307.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05644	1.1
66.80491	0.2
72.08162	2.8
76.25928	0.2
89.03923	0.3
89.10775	0.2
97.07637	0.8
98.06067	0.2
114.10294	11.3
114.11105	0.4
115.00449	0.2
115.08696	2.2
117.03397	1.2
121.29993	0.2
128.47191	0.2
129.70433	0.1
131.12943	3.5
137.88545	0.2
139.30688	0.1
145.02849	14.7
149.05992	0.3
157.10881	1.1
162.44899	0.2
177.05470	100.0
198.26141	0.2
206.39008	0.2
216.25093	0.2
232.12079	0.2
247.14404	3.2
248.12828	3.9
265.15509	0.2
290.14938	4.3
299.44806	0.2
307.17639	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1768
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
67.05503	0.6
70.06242	0.8
70.06597	23.3
70.07385	0.6
72.08159	25.1
73.04874	0.5
97.07657	9.5
98.03561	1.1
98.06049	2.3
108.02649	0.5
111.64444	0.6
114.10294	53.2
126.10265	2.5
126.84202	0.6
130.06522	3.8
131.12955	2.1
132.04419	0.7
140.08183	1.4
146.06006	2.3
149.05984	21.9
151.07561	9.6
157.07646	4.7
157.10840	6.5
158.05992	6.2
166.08629	6.2
175.08649	3.4
177.05478	42.7
178.08627	36.2
185.07162	0.5
194.08110	6.8
206.08163	4.3
208.10791	1.2
220.13190	0.8
232.11992	1.1
236.10307	2.5
245.12836	2.5
247.14415	11.7
248.12796	35.7
261.08597	2.5
262.15369	4.5
265.15411	1.3
266.04041	0.7
271.18124	1.3
289.08243	1.2
289.16382	0.9
290.14984	27.6
307.17609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1768
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
56.18572	0.2
59.65700	0.2
60.05656	2.9
72.07814	0.2
72.08167	5.4
72.58781	0.3
73.13949	0.2
74.08194	0.2
79.22195	0.2
89.03920	0.4
89.10807	0.3
89.80148	0.2
91.96841	0.3
97.07671	0.5
98.06040	0.3
114.09129	0.9
114.10301	15.3
114.11103	0.6
115.08695	1.6
117.03414	1.9
121.51509	0.3
131.12933	6.7
134.99806	0.3
145.02858	22.7
149.05971	0.4
157.10887	1.5
177.05481	100.0
247.14400	2.6
248.12823	3.0
290.14972	3.8
307.17664	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18357	0.1
56.89978	0.1
60.05659	0.4
61.17671	0.1
63.82152	0.1
67.05508	0.2
67.44078	0.1
72.08162	2.4
72.57946	0.2
73.04049	0.2
84.24329	0.2
89.03927	0.3
97.07632	0.3
98.06049	0.7
102.09672	0.1
114.10301	9.8
115.00460	0.2
115.08710	2.5
117.03388	0.7
125.67810	0.2
131.12930	1.9
145.02870	1.6
149.05930	1.1
150.28032	0.2
151.07576	0.2
157.10834	0.7
159.98137	0.2
163.03882	2.7
172.47466	0.2
177.05475	100.0
247.14403	3.9
248.12802	5.2
265.15421	0.3
290.14981	4.3
307.17648	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55016	0.2
60.05644	1.0
72.08163	2.8
73.47256	0.2
89.03933	0.4
92.64507	0.2
97.07634	0.4
98.06049	0.5
114.10287	11.6
115.08677	2.2
117.03372	1.4
131.12952	3.0
145.02852	16.6
149.05959	0.4
157.10832	1.0
177.05466	100.0
207.96477	0.3
232.12105	0.3
247.14383	3.1
248.12804	5.0
270.54413	0.2
290.14987	4.2
307.17630	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1766
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
55.09730	0.4
56.66365	0.4
63.06355	0.5
70.06577	0.8
71.46614	0.5
72.08161	22.1
73.99213	0.5
74.07197	2.1
82.40556	0.6
84.08113	2.4
88.02376	0.5
89.10793	10.2
94.65978	0.6
97.07653	0.7
114.10291	11.9
115.08686	1.1
117.03339	0.8
128.10870	1.3
128.11842	36.2
129.10233	2.2
130.06528	4.9
132.04489	0.9
135.04396	2.4
145.02838	7.5
145.14507	2.8
147.04439	1.1
153.61940	0.7
157.07607	9.1
158.06033	7.2
159.09148	1.1
163.03900	100.0
175.08693	3.4
176.07051	0.9
177.05499	4.3
185.07048	1.0
203.08147	3.4
204.89236	0.6
233.12845	9.6
234.11266	14.2
243.07628	0.9
245.09178	2.3
251.13834	3.6
261.08594	2.1
271.07092	1.0
276.13626	2.0
289.08215	2.9
290.14966	4.0
307.17636	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04535	0.7
70.06585	5.4
72.08160	29.2
84.04486	1.4
84.08137	7.0
89.03890	0.9
89.10783	11.1
97.07662	1.3
98.06043	1.6
101.10744	0.8
107.94048	0.8
113.10754	3.8
114.09164	2.8
114.10275	13.8
115.08718	1.1
117.03388	1.9
123.04460	4.0
128.10875	1.4
128.11835	35.2
129.10226	2.0
130.06541	5.7
131.11801	3.7
132.04477	1.4
132.07985	0.9
135.04445	3.5
145.02837	27.0
145.14441	1.6
146.03206	0.9
146.48512	0.7
147.04411	1.5
149.06053	1.0
157.07611	14.2
158.06013	9.1
159.09221	3.3
163.03891	100.0
175.08685	4.6
176.07129	1.5
177.05463	56.2
178.05878	4.9
178.08659	0.8
179.05753	0.9
185.07141	1.2
191.08110	0.8
194.26831	0.9
201.06587	0.8
203.08153	6.0
218.08238	1.1
219.08855	0.9
222.11261	1.8
227.08150	0.9
233.12868	9.2
234.11224	13.0
243.07808	1.0
245.09064	1.2
248.12834	1.4
251.13956	3.8
255.24347	0.8
261.08676	3.4
263.14038	1.0
266.15915	1.4
271.07285	1.4
276.13361	1.7
289.08206	5.2
289.15524	1.8
290.14990	3.5
307.17630	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1767
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
50.29325	0.7
53.34577	0.7
56.61825	0.6
72.04530	11.0
72.08163	30.8
89.03932	1.1
89.10796	8.5
110.15286	0.7
114.09177	43.4
114.10289	9.9
115.08698	1.3
128.11844	26.7
129.10275	3.8
134.07094	0.9
135.04390	1.7
145.02872	4.2
145.67984	0.7
163.03903	100.0
176.07082	2.8
176.11830	7.4
177.05479	5.1
217.16444	0.8
233.12883	11.7
234.11246	22.0
237.91841	0.8
251.13924	3.5
267.56921	0.8
276.13409	1.4
290.15070	4.9
307.17664	94.3
307.21307	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86174	0.5
56.05042	1.0
58.06589	2.9
66.06466	0.5
70.06583	1.3
71.26428	0.5
72.08157	10.2
74.40823	0.5
84.04025	1.1
84.04509	24.7
84.08146	100.0
86.06068	8.1
86.09711	6.1
88.03998	4.4
97.07664	0.9
98.06075	0.5
100.98859	0.6
114.10307	2.1
123.04407	1.1
126.55810	0.6
128.10718	6.6
130.08653	1.1
131.12923	0.8
135.04414	0.9
141.13837	4.8
145.02881	4.5
145.13342	3.1
163.03893	28.4
167.70517	0.6
169.13341	13.8
176.57921	0.6
177.02055	0.5
177.05464	7.5
198.11218	0.7
215.13907	57.8
234.11247	0.9
243.17024	41.0
262.11041	2.7
307.16809	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	307.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06584	0.9
67.86346	0.6
70.06573	2.8
72.08161	24.8
72.19475	0.6
72.29420	0.6
84.04506	13.5
84.08150	58.9
86.06065	5.6
86.09691	3.4
88.03983	3.1
89.03917	1.2
101.95601	0.7
114.09161	0.8
127.12331	0.8
128.10713	23.3
130.08615	1.1
135.04413	3.5
141.13873	1.1
145.02892	7.1
145.13377	13.9
163.03900	100.0
169.13361	8.8
174.62338	0.8
177.05440	0.9
193.29346	0.8
215.13905	32.3
234.11281	8.1
243.17026	22.2
262.11063	1.0
307.16647	68.7
307.21140	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	307.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
55.71885	0.2
56.65953	0.2
57.07072	0.4
67.05511	0.4
69.07080	0.3
81.07050	1.3
83.05618	0.3
83.06109	9.6
83.08589	0.3
84.04511	4.5
84.08152	0.4
91.05477	1.1
92.18481	0.5
93.07056	0.4
95.08611	0.6
101.07150	4.5
105.07047	0.5
107.08576	0.6
107.48000	0.3
109.10152	0.6
121.10104	0.4
129.06610	25.8
130.05000	1.1
135.08102	0.3
145.10204	0.3
146.07242	0.6
149.13304	0.4
161.09621	100.0
177.05392	2.0
178.12271	6.8
289.15454	1.6
289.18213	0.5
290.14008	0.6
307.16464	12.6
307.22433	0.3
307.26263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1291
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01873	0.3
56.24796	0.2
61.34688	0.2
63.61794	0.2
72.08134	0.3
78.77908	0.2
81.69802	0.2
98.06055	0.5
102.82091	0.3
108.04453	0.2
108.15351	0.3
114.10298	0.4
122.06007	1.0
140.07089	1.8
145.02841	0.2
147.86346	0.3
160.07532	0.4
163.03983	0.3
168.06587	2.5
174.09158	0.4
177.05457	4.8
178.08627	9.8
182.08104	1.0
188.07104	1.1
191.08179	0.5
196.09691	0.4
198.09091	0.3
201.10225	0.5
202.08649	3.8
204.10201	0.5
205.09778	2.9
206.08121	3.4
212.07091	0.3
216.10199	1.2
219.07787	0.3
219.11275	4.2
220.09680	1.7
225.10234	0.3
226.08589	0.9
229.09810	3.0
230.08125	4.6
243.11305	1.1
244.09682	2.8
247.10768	15.2
248.09148	1.0
261.12381	1.4
262.10803	2.9
265.11816	15.4
271.10825	1.9
272.09045	1.9
289.11816	18.9
290.10306	1.2
307.12885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92503	0.3
55.04247	0.3
59.65075	0.3
62.03294	0.3
69.03412	0.5
70.06587	2.4
72.08163	2.6
78.62102	0.3
79.33118	0.3
81.04563	2.5
84.04525	0.5
84.82632	0.3
85.02908	1.7
93.30672	0.3
94.04193	0.3
97.02851	0.4
99.04496	0.5
103.03934	0.8
113.02912	0.4
114.10299	0.4
122.07157	85.4
127.03925	1.5
130.05080	0.5
143.45966	0.4
144.04794	46.4
157.10901	0.8
158.97423	0.4
164.08197	100.0
174.13109	0.5
177.05354	2.4
204.12634	0.5
289.11670	0.5
289.19028	0.7
307.08691	0.7
307.12244	20.7
307.16949	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1179
Annotation	12-Oxocurvularin
Peak:m/z	Relative Intensity
53.28744	0.8
53.67938	0.8
53.92079	0.7
55.05511	1.3
57.03440	0.8
59.04974	1.1
59.97141	0.8
61.55932	0.8
64.57169	1.0
67.05522	1.4
69.07075	3.5
69.50673	0.8
72.08145	1.4
73.06744	0.9
75.14133	0.9
81.07049	9.3
83.08611	1.3
88.14845	0.9
91.05470	1.4
93.07032	5.0
95.08612	5.9
97.06511	1.1
101.13990	0.9
107.08585	4.2
109.10166	3.9
115.05437	7.4
115.07597	1.3
116.06193	1.3
117.07023	18.4
119.08587	2.2
121.06518	1.6
121.10185	1.7
123.11774	3.9
128.06242	1.3
129.06989	1.1
131.04901	2.2
131.08580	1.4
135.11731	2.0
137.05898	1.2
143.04900	1.5
144.05692	17.9
145.06479	23.3
145.10114	1.3
147.08025	1.7
147.11681	1.1
155.06059	1.4
159.08049	58.4
159.11687	1.3
160.05209	6.8
162.06778	1.7
163.07539	1.1
172.05186	20.6
173.06001	2.0
175.07530	23.8
177.05502	6.2
177.09096	16.6
181.38197	1.1
187.07536	74.7
187.14781	1.2
188.85786	1.1
190.06296	1.3
191.10828	1.0
205.08607	40.7
229.58150	0.9
235.99454	0.9
236.91187	1.0
247.09689	3.9
261.14850	1.3
265.10794	6.0
289.18036	1.2
289.25360	1.0
307.11819	100.0
307.26474	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	307.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70698	0.5
52.46705	0.6
69.07067	0.6
70.06584	2.6
70.35142	0.6
72.08157	27.5
74.07182	0.8
76.32323	0.6
81.79898	0.5
84.04496	4.8
84.07687	0.9
84.08150	23.5
86.06061	1.1
88.03975	0.8
89.10793	10.7
94.06570	0.8
98.06029	1.0
108.04490	6.3
108.13946	0.6
114.10287	10.8
115.08694	1.2
122.05997	2.9
123.04384	1.0
126.09140	0.7
127.07521	0.6
128.11836	33.7
129.10216	2.7
130.06520	19.8
132.04454	6.9
132.08087	2.8
135.04376	1.4
138.05516	3.3
140.07051	11.0
141.13937	1.0
145.02844	4.0
145.14510	2.7
145.28075	0.6
146.05994	1.5
147.04391	2.7
150.05482	1.1
152.67648	0.7
157.07611	38.3
158.06012	30.5
159.09166	7.7
163.03893	100.0
168.06558	7.3
169.13371	4.2
175.08687	13.0
176.07021	0.9
177.05475	3.3
177.07707	0.7
184.07616	0.9
185.07076	5.5
191.08122	1.1
197.07069	1.0
200.07079	1.1
201.06615	2.4
202.10689	0.6
203.08156	16.7
203.11038	0.8
215.13914	13.0
225.06577	1.4
227.08121	3.6
233.12817	8.9
234.11250	11.7
234.13487	0.9
243.07625	4.8
243.17085	8.7
245.09142	6.9
251.13855	3.4
261.08746	9.4
271.07062	7.8
276.13437	1.3
289.08170	12.3
289.11688	2.5
290.14944	5.7
307.09296	2.4
307.12927	9.0
307.17578	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86714	0.5
55.05502	3.6
63.92431	0.6
63.95421	0.6
67.05502	1.5
69.07057	4.9
69.79439	0.7
80.55865	0.7
81.07047	4.8
83.08626	1.6
85.05299	0.7
90.38696	0.7
95.08577	3.0
98.06062	7.6
107.08565	0.9
109.10162	1.5
130.36841	0.7
135.94025	0.7
150.97957	0.7
218.94540	0.8
264.13092	0.8
306.27908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.8
70.06586	0.9
71.04970	0.9
72.08166	1.2
81.07090	1.1
87.00839	3.2
94.06569	3.5
109.10146	0.8
118.76039	0.7
125.69372	0.7
126.88776	0.7
127.07600	0.8
128.03430	0.9
130.06540	44.9
132.04471	13.1
132.08107	4.9
140.04698	0.9
145.02827	2.8
146.06026	7.2
157.07620	100.0
158.06023	78.0
158.08047	0.8
159.09189	21.9
160.07613	3.9
161.01176	0.9
172.07529	1.2
173.07144	1.7
175.08681	36.8
177.05492	5.8
184.07639	4.0
185.07111	14.2
186.05522	2.6
191.08212	1.1
197.07126	3.5
198.05746	0.8
199.08717	4.7
200.07135	1.6
201.06613	6.6
201.10349	1.8
202.07491	0.7
203.08176	47.5
203.11125	4.3
204.06538	0.9
217.09808	1.5
221.09190	3.0
225.06599	6.1
227.08141	11.8
229.06116	1.5
243.07689	9.7
245.09213	21.2
247.07236	0.9
259.27008	0.8
261.08691	27.9
261.11200	1.3
271.07126	19.7
271.18027	4.9
289.08194	45.4
307.09232	9.6
307.12350	1.2
307.17044	3.2
307.20172	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	306.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21744	0.3
52.05285	0.3
57.07089	2.7
58.06598	0.7
70.06238	0.4
70.06603	11.1
71.08644	2.5
72.08137	1.5
81.46168	0.3
84.08129	1.7
86.09701	2.0
88.07179	0.4
88.07648	7.3
89.06019	0.4
102.09200	5.4
120.59953	0.3
132.10216	8.2
145.18127	0.3
146.11769	9.8
156.17473	3.2
165.23804	0.4
165.25398	0.3
182.19029	1.8
200.20105	27.8
243.08054	0.3
244.22720	59.4
288.25409	1.7
305.18665	0.3
306.26401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15542	0.3
55.05512	0.3
57.07072	1.9
57.62701	0.3
58.06578	0.4
69.07072	0.3
70.06243	0.5
70.06597	11.2
70.75411	0.3
71.08626	1.7
72.08153	1.6
81.07081	0.3
84.08131	2.1
86.09702	2.0
87.50717	0.3
88.07635	6.9
89.06013	0.4
98.20643	0.4
101.36333	0.4
102.09180	3.1
105.07007	0.3
112.17323	0.3
114.09155	0.4
132.10205	9.2
146.11757	10.5
156.17528	2.2
167.87175	0.3
182.19055	0.8
200.20100	22.9
225.66977	0.3
234.80847	0.3
244.22708	59.5
258.24234	0.4
288.25421	1.4
306.26385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90403	0.3
56.05045	3.0
57.06813	0.3
57.07073	2.0
58.06613	5.6
59.99086	0.3
60.04516	0.7
70.06594	0.6
71.08630	0.6
72.08139	0.4
74.06081	4.1
75.04462	0.5
85.10181	0.7
86.06067	5.9
88.07635	9.8
89.06014	0.4
100.07607	0.6
104.07111	4.0
106.30513	0.3
118.08641	1.2
132.10194	3.7
162.11221	1.9
166.10747	3.1
200.20145	0.6
201.57483	0.3
214.21649	45.2
226.21558	0.6
258.24277	15.8
288.25342	1.8
306.26376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99667	0.4
55.05511	0.5
56.05030	3.1
57.07073	2.7
58.03455	0.4
58.06618	6.0
60.04522	0.5
68.05031	0.5
69.07061	0.5
71.08611	1.9
72.08151	1.8
73.81436	0.4
74.06092	4.2
75.04456	0.5
85.10173	1.0
85.34907	0.5
86.06082	6.8
87.04449	0.5
88.07093	0.7
88.07635	13.4
92.45016	0.5
93.18561	0.6
100.07599	1.0
104.07118	5.8
107.08530	0.5
118.08646	0.9
132.10202	4.4
150.09189	0.9
162.11246	2.6
166.10768	3.8
182.19080	0.8
213.96371	0.5
214.21672	54.0
226.21565	0.7
232.15334	0.4
258.24280	17.9
288.19727	0.8
288.25394	2.2
306.26410	100.0
328.54797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2431
Annotation	17beta-Nitro-5alpha-androstane
Peak:m/z	Relative Intensity
55.05526	3.0
58.13173	2.2
63.58336	1.8
67.05523	2.6
69.07101	3.8
71.60673	2.0
79.05493	3.5
81.07071	12.0
83.08597	3.6
85.06557	2.5
91.05492	3.1
93.07046	10.9
95.08603	13.9
105.07030	12.4
107.08611	20.6
109.06604	2.7
109.10185	9.2
119.08566	9.7
121.06519	9.5
121.10140	5.4
131.08620	2.7
133.10097	5.6
135.08066	4.5
135.11700	5.2
145.10159	3.9
147.11667	3.3
149.09546	3.0
149.13229	3.9
159.11685	3.6
161.13211	3.3
163.11182	10.0
165.12698	9.3
177.12753	9.8
187.14902	3.1
191.14291	3.0
243.21213	3.0
261.22293	20.1
271.20621	3.8
288.23203	3.0
289.21643	100.0
306.21240	3.6
306.24298	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2428
Annotation	17beta-Nitro-5alpha-androstane
Peak:m/z	Relative Intensity
57.25396	5.4
63.22564	5.3
71.08634	7.9
71.19128	5.4
81.07057	7.6
93.07036	7.3
95.08609	24.1
96.75164	5.6
105.07049	9.1
107.08607	8.5
109.06527	23.8
109.96776	5.5
111.08089	6.0
119.08496	7.2
153.94444	6.6
165.12741	77.1
191.14403	13.6
289.21558	50.3
306.24310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.243
Annotation	17beta-Nitro-5alpha-androstane
Peak:m/z	Relative Intensity
50.65255	1.9
55.05511	2.1
67.05510	11.6
69.07075	8.7
70.37478	2.1
71.08634	16.6
79.05528	3.3
81.07053	15.6
83.08635	3.6
86.06121	2.3
91.05484	3.2
92.18336	2.5
93.07046	10.6
95.04970	12.2
95.08621	23.2
97.06546	5.4
99.08119	3.4
104.31712	2.4
105.07034	5.7
107.08580	5.7
109.06534	15.6
109.10143	10.4
119.08566	4.9
121.06495	3.3
121.10161	9.5
131.08569	3.6
131.35342	2.3
133.10201	2.9
137.09679	3.0
145.10103	3.2
147.11655	3.3
163.11191	4.8
165.12764	72.7
173.13269	5.7
175.11134	2.5
181.52513	2.3
191.14360	16.4
246.04153	2.6
289.21667	32.2
306.24380	100.0
316.85205	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	306.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98669	3.0
67.05505	4.8
69.07064	17.3
71.08654	5.8
81.07054	15.9
86.09708	6.0
90.69772	3.5
93.07063	3.9
95.04929	4.0
95.08597	22.1
98.00730	3.2
98.06062	4.8
104.10757	5.3
105.07079	3.7
109.06522	19.3
109.10169	6.2
119.08542	4.3
124.99971	4.8
137.09567	5.4
138.53055	4.5
154.12305	5.1
154.84019	3.2
165.12720	49.4
184.07376	14.9
186.09233	4.2
191.14258	5.1
203.71646	3.4
240.09898	8.3
289.21698	20.8
306.24298	69.8
306.27954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1704
Annotation	Porritoxin
Peak:m/z	Relative Intensity
54.83432	0.8
59.32748	0.9
60.16124	0.8
69.07063	1.1
70.06587	2.0
72.08131	4.8
83.81256	1.0
88.11480	0.9
93.53204	0.9
104.87736	1.0
107.16656	1.3
120.08088	2.1
121.06478	1.9
136.07593	2.2
137.08316	6.4
148.07581	8.3
160.06548	1.1
160.07590	18.3
162.09068	3.9
165.11458	4.0
173.23997	1.2
174.09131	5.4
175.09541	1.0
176.06953	1.8
177.07779	1.2
178.08691	1.2
186.09039	2.0
188.07121	1.5
189.07828	4.8
190.08630	1.7
192.10205	13.0
193.10942	6.9
202.08662	2.0
202.10852	1.6
203.09378	16.4
203.11287	3.8
204.10130	8.4
204.12044	1.6
207.08914	2.3
212.10640	1.1
214.08588	1.5
220.09576	5.7
221.10403	5.3
222.11281	25.1
228.13980	1.0
242.15317	1.1
244.13263	4.4
245.13843	5.4
255.12502	1.3
260.16486	1.3
267.96448	1.2
270.14886	3.7
273.13568	2.2
288.15912	26.4
291.14633	4.2
306.16931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1703
Annotation	Porritoxin
Peak:m/z	Relative Intensity
50.22066	0.3
50.57354	0.3
58.41154	0.4
72.08144	0.8
84.05610	0.4
97.63237	0.5
110.04965	0.4
120.08096	0.8
121.06509	0.6
130.04955	0.5
130.12302	0.6
134.05994	0.5
136.07542	2.2
137.08377	3.9
148.07582	4.8
150.09166	0.5
160.07568	5.7
161.08156	0.8
162.09094	1.7
165.11505	1.7
173.08351	0.5
174.09187	4.2
177.07822	0.9
178.08694	0.7
178.54776	0.5
188.07014	1.8
188.10841	0.6
189.07831	2.8
190.08588	2.2
192.10211	6.4
193.10966	4.4
203.09424	8.4
204.10123	3.2
205.07384	0.4
206.08121	0.9
207.08913	1.9
212.10765	0.6
212.33510	0.4
220.09648	2.3
221.10480	2.3
222.11234	13.0
244.13242	1.9
245.13661	0.5
255.12398	0.6
258.14883	0.8
270.14835	0.9
273.13574	2.1
282.76321	0.5
288.15918	14.0
291.14493	2.2
306.16956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
57.07069	1.3
58.90491	0.2
67.05481	1.3
69.07063	2.4
70.02948	2.4
70.06593	0.6
72.04481	0.4
72.08155	0.3
73.02925	5.7
77.85255	0.2
85.06540	2.2
86.09703	1.4
87.08102	2.0
90.05556	2.2
95.04975	4.5
96.08145	0.4
98.02422	12.4
100.03992	5.9
103.07591	0.6
113.05978	1.7
116.03464	8.3
117.51825	0.3
122.02681	0.3
124.07599	13.8
128.03386	0.4
138.16624	0.3
142.08646	18.2
149.09607	0.3
156.10188	1.1
166.08629	1.5
184.08064	0.5
184.09698	13.4
186.54846	0.3
202.10751	100.0
203.60263	0.3
220.47333	0.3
288.10846	0.4
306.11856	1.9
306.19373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53618	2.2
55.89016	2.0
56.17923	1.9
57.06823	2.9
57.07084	47.8
63.66336	2.3
67.93192	1.9
71.08635	26.6
77.82359	2.2
85.10194	19.2
89.05502	4.4
89.06033	100.0
92.17993	3.7
96.08195	3.1
97.10165	3.4
107.07039	3.6
116.07470	2.2
133.08589	11.9
151.09659	44.2
173.71971	2.3
192.51416	2.2
305.18555	8.7
305.26904	3.7
316.25250	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	305.2477
Annotation	Dihydroazorellolide
Peak:m/z	Relative Intensity
54.92629	7.7
59.04987	7.3
59.94855	5.8
67.05522	10.7
69.07067	10.4
79.05523	10.7
81.07062	38.4
93.07064	17.5
95.08646	26.8
107.08620	16.1
109.10198	15.8
117.07057	7.3
121.10129	53.1
139.94078	7.7
147.11710	13.2
171.11691	12.1
196.97462	40.2
214.98508	30.7
218.14110	15.9
219.99051	16.6
238.00050	9.4
305.18665	43.8
305.21906	14.4
305.24878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	(-)-Cladielline
Peak:m/z	Relative Intensity
53.30689	3.0
55.05511	14.6
57.07074	4.2
67.05518	26.3
67.62849	4.0
67.68562	3.0
69.07073	15.5
71.04936	3.4
72.01587	3.3
79.05500	18.8
80.60178	3.6
81.07073	28.2
83.08618	5.2
85.31544	3.5
86.09695	4.0
91.05494	13.7
93.07059	43.7
95.08620	36.6
104.10757	13.3
105.07012	5.3
107.08617	27.8
109.10104	6.5
119.08582	16.2
121.10176	32.7
130.03581	3.1
133.10155	7.4
133.28938	3.6
135.11691	13.9
139.11238	3.4
145.10106	5.9
147.11693	17.5
149.13335	3.4
158.55394	6.3
163.14830	7.8
173.13222	3.3
185.13231	4.0
189.12793	4.6
207.13831	5.7
221.15289	8.0
287.23544	5.1
288.41660	3.6
305.18906	14.3
305.21741	6.5
305.24738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
55.05510	4.3
57.07070	4.5
62.51370	1.1
67.05187	0.9
67.05510	14.7
69.07075	7.4
71.04993	1.0
71.08617	2.1
73.60186	1.0
77.00614	0.8
79.05498	10.3
81.07073	17.0
83.08607	3.7
89.06017	2.2
91.05471	6.7
93.07047	19.6
95.08617	19.1
97.10135	1.1
105.07015	4.6
106.93870	1.2
107.08591	12.4
109.10159	6.0
119.08573	8.3
121.06541	2.0
121.10143	35.4
123.11640	3.6
131.08557	4.1
133.10109	14.1
135.08046	4.7
135.11685	12.0
137.13284	1.5
143.08586	1.4
145.10107	4.9
147.08014	1.3
147.11679	21.1
149.09627	4.9
149.13217	5.3
151.09593	1.4
159.11687	2.3
161.13235	6.5
163.14806	4.7
167.10687	1.9
171.11679	4.0
175.11137	4.5
175.14833	3.5
185.13229	4.0
189.12761	4.0
189.16391	1.0
191.17964	2.3
193.12267	4.1
199.14923	1.4
203.14384	1.9
203.18102	1.2
207.13789	9.3
209.15369	1.6
221.15308	8.5
223.16997	1.8
235.16835	1.9
245.22675	8.0
269.22748	2.4
287.23660	8.3
305.19055	3.2
305.24750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2472
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
52.99366	4.2
55.05511	19.4
57.07092	7.3
67.05510	8.6
69.07064	23.0
69.41889	3.8
79.05499	5.0
81.07056	61.4
83.05029	6.6
83.08653	8.2
86.70430	5.4
93.07052	72.0
95.08607	66.1
97.10152	6.1
105.07031	22.1
107.08598	44.0
109.10159	57.0
119.08565	23.5
121.10148	100.0
123.08012	7.2
123.11721	22.0
126.53083	4.2
129.23384	3.8
131.08585	7.3
133.10138	17.0
135.11705	48.3
137.13257	6.9
139.11183	9.2
139.19315	4.1
145.10107	7.4
147.11711	17.9
149.13284	55.6
159.11703	7.1
161.13219	8.5
163.14801	26.1
173.13234	4.1
177.12840	4.6
187.14842	5.3
213.16397	6.2
217.08510	6.2
269.22672	8.2
287.23697	37.1
305.24786	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2227
Annotation	RU 5135
Peak:m/z	Relative Intensity
50.37377	0.2
56.05029	0.3
58.06598	0.7
69.07066	0.2
70.06590	1.5
72.08154	1.9
81.78991	0.2
82.06535	0.3
84.04502	0.4
84.05620	0.8
84.08143	1.1
85.02895	0.3
85.05965	0.2
86.09696	1.7
87.09276	0.2
87.10020	0.4
96.08129	0.4
105.88010	0.2
118.06513	0.2
120.08105	0.9
124.07585	0.4
125.09614	0.2
129.10242	1.0
130.01761	0.2
130.06490	0.4
132.08073	1.1
134.09668	0.9
143.01935	0.2
143.11734	0.4
144.08105	3.3
144.12151	0.3
145.08817	0.3
145.91731	0.2
146.09720	0.3
148.02855	0.3
148.11185	0.2
158.06026	0.3
158.09654	3.0
160.11208	2.8
161.02959	0.3
170.09659	4.7
171.10368	1.4
172.11241	1.0
174.04236	0.2
174.12798	0.9
176.10605	0.3
182.09628	0.7
184.11200	0.8
185.02827	0.3
186.12836	0.9
192.05498	0.2
198.12755	0.7
201.03432	0.4
201.13863	1.6
202.12982	0.3
202.14555	1.6
204.12453	0.3
212.14323	0.4
213.13832	2.8
213.26900	0.2
215.13164	0.4
215.15379	0.7
216.13780	0.2
217.16997	9.0
222.01030	0.8
230.15398	2.9
233.06059	1.0
238.15887	0.3
240.02095	1.8
244.16907	0.9
248.16415	5.1
256.16974	1.4
258.03180	0.2
262.18130	0.2
269.20081	0.5
274.17972	1.8
274.59839	0.2
282.00397	0.2
284.17184	0.2
287.17957	0.6
287.21170	3.5
305.22226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Caribenol B
Peak:m/z	Relative Intensity
55.05503	6.7
56.44773	3.5
57.07087	6.4
67.05495	5.9
67.66592	3.9
67.76085	3.4
69.07053	4.2
71.08629	4.3
75.80277	3.5
79.05485	17.3
79.90881	3.2
81.07057	16.2
85.10185	7.1
89.06033	6.2
89.35203	3.3
93.06550	4.3
93.07048	33.6
95.08630	6.2
107.08569	4.3
119.08583	6.8
121.10137	8.1
123.99533	3.5
125.09652	4.6
133.10147	4.2
135.11696	16.4
143.08627	5.3
144.87209	4.5
145.10176	4.9
147.08022	4.8
174.18504	3.6
203.70940	4.9
213.44357	3.6
216.27797	4.0
218.14175	7.8
305.18411	20.8
305.21213	100.0
305.24808	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	305.2112
Annotation	Agallochin I
Peak:m/z	Relative Intensity
50.06635	1.1
52.29396	1.0
55.01870	5.3
55.05523	15.8
55.37143	0.9
57.03444	12.9
57.07071	1.0
59.05000	5.0
67.05511	19.7
69.03419	2.1
69.07055	4.9
71.04971	1.4
74.12637	1.1
79.05501	25.9
81.03409	1.6
81.07068	40.7
83.04967	1.8
83.08648	10.0
85.06545	7.7
89.22506	1.1
90.05494	1.5
91.05481	19.3
93.07049	24.6
95.04967	10.6
95.08615	19.7
97.06526	5.3
97.10164	9.8
105.07038	22.9
107.04955	6.4
107.08593	18.6
109.06506	10.9
109.10132	5.3
111.08092	1.4
117.07021	22.8
119.04977	1.3
119.07818	1.8
119.08586	29.5
121.06494	12.8
121.10130	10.5
123.08057	8.6
125.09624	21.8
129.07018	9.0
131.08592	20.1
133.06487	4.7
133.10132	11.0
135.08067	26.0
135.11685	5.7
137.09624	1.3
139.11209	1.4
141.06952	1.3
143.08600	12.4
145.10126	24.5
147.08063	20.4
147.11679	4.8
149.09612	7.8
151.11212	2.4
153.09119	1.6
155.08549	1.7
157.10098	10.5
159.08131	2.1
159.11687	9.2
161.09613	12.5
163.11172	6.1
171.11696	7.6
173.09599	1.4
175.11189	2.7
183.11729	1.6
185.13263	2.4
189.12775	2.4
195.11670	4.2
199.11133	1.9
201.12718	2.4
203.12794	7.7
211.13191	1.1
217.15900	5.6
218.14046	1.3
222.13997	1.3
227.17821	1.8
227.70586	1.1
237.14601	1.7
241.11145	1.6
245.19049	1.8
250.69240	1.3
255.17345	8.9
263.16516	1.9
273.18494	37.4
287.20126	7.3
305.21136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
52.32126	1.9
53.16431	1.8
55.01874	2.8
55.05512	7.5
56.05009	1.9
56.96567	2.2
57.03441	2.6
57.65986	1.8
59.35778	1.9
61.34896	1.8
62.92369	1.8
63.27688	1.9
67.05515	21.2
69.07068	8.0
72.68253	2.4
79.05499	13.3
81.07071	22.7
83.08669	2.2
91.05486	11.6
93.07069	19.8
95.04978	41.6
95.08616	9.5
97.06547	3.6
97.10165	2.2
105.07041	5.0
107.08595	11.2
109.06531	26.0
109.10135	8.0
114.83600	2.3
117.07066	2.3
119.08606	10.5
121.06475	4.8
121.10149	4.5
123.07988	2.1
129.06923	2.1
131.08583	8.4
133.06549	2.6
133.10138	4.7
135.08061	23.7
135.11719	3.7
143.08525	2.4
145.10150	3.6
147.08044	2.6
149.13286	2.9
150.59448	2.0
151.11150	2.3
157.10149	2.1
159.11681	4.3
161.09612	3.9
173.33167	2.2
190.41920	2.0
194.42001	2.3
196.46019	2.0
217.15990	2.2
241.11189	17.7
259.12177	14.1
273.18472	24.1
284.63062	2.9
305.21030	100.0
305.24731	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	305.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93577	0.4
58.06590	2.4
60.08178	5.7
61.00846	1.2
61.01159	35.4
69.03413	3.3
69.07076	0.7
70.06604	11.4
71.04987	0.6
72.08163	6.8
74.02438	1.0
81.03404	2.3
85.02879	2.1
86.09714	54.1
87.02687	3.3
89.04285	1.8
89.96319	0.5
98.09696	2.4
99.04459	1.3
105.03745	11.5
109.02871	2.6
112.07597	0.8
112.08737	0.6
114.05489	0.7
115.02108	0.7
126.09174	7.9
126.10152	0.8
127.03914	3.0
133.03180	7.9
135.04344	0.8
143.10698	0.7
143.11816	15.3
145.02827	2.8
163.03909	32.9
170.11772	1.1
177.05458	0.6
179.06752	0.6
198.11272	89.7
200.11020	1.3
245.09225	0.5
246.11584	16.7
305.15176	11.7
305.18890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1864
Annotation	(-)-Clathrotropine
Peak:m/z	Relative Intensity
53.74673	0.4
58.06602	1.6
58.22888	0.4
63.00448	0.4
65.02298	0.5
66.83714	0.4
70.06583	1.8
72.08149	2.4
74.02431	0.7
81.07064	0.5
83.04967	0.8
84.83901	0.4
86.09693	0.5
91.05502	0.5
93.07015	0.5
95.08628	0.6
96.04483	0.8
96.08131	2.7
97.04755	0.5
103.27611	0.4
105.07046	5.0
107.04939	0.9
108.05257	0.7
108.08113	0.5
110.09715	4.0
114.09123	0.8
123.08040	0.9
132.08099	0.6
134.09659	4.9
144.08073	3.2
146.06012	4.6
146.09686	2.0
149.26799	0.5
152.07970	0.4
158.09651	6.5
160.07570	9.0
162.09132	2.5
167.07228	0.8
170.09656	0.8
172.07581	4.4
172.11166	0.6
174.09158	11.5
177.11086	0.9
178.09537	0.5
180.10135	0.8
182.08144	0.7
182.09665	11.7
183.06821	0.5
183.10411	0.6
184.07524	0.8
184.11229	0.8
186.09119	2.6
195.06709	2.1
195.10439	1.8
197.08344	1.8
198.09172	4.7
200.10678	3.5
201.10257	0.8
203.11740	3.4
205.10577	0.7
208.11183	0.7
210.09155	31.5
210.12700	2.5
212.10718	10.3
212.14294	0.6
213.10210	0.6
215.11871	3.5
216.13918	0.9
223.09930	2.1
223.11783	0.8
226.12334	4.5
228.10153	10.2
228.13715	1.0
229.13327	3.6
238.12361	3.6
241.12732	0.8
251.11069	1.0
256.13318	28.9
259.13730	0.9
269.12228	0.7
269.16541	3.1
270.19821	0.4
274.14236	0.5
287.17560	35.8
305.14651	3.7
305.18600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76155	0.7
55.05508	1.5
58.06615	11.5
59.07361	2.8
60.08176	31.4
60.91788	0.8
60.97636	0.7
63.83460	0.7
67.05499	1.3
68.05034	3.2
70.06593	10.4
81.07071	2.6
84.08125	0.9
84.86975	0.7
85.02856	0.9
88.11256	3.2
89.11597	1.8
91.05485	6.6
93.07052	1.3
95.08562	1.4
96.04493	1.6
103.05450	5.3
105.07032	7.4
107.08587	0.9
109.10115	1.1
110.06084	0.8
114.05524	6.9
121.10101	1.5
123.11702	1.0
124.03978	8.2
124.75423	0.7
129.06972	0.8
130.04987	4.4
131.04910	17.1
131.08569	1.7
133.10095	2.8
135.11674	0.9
142.04977	1.0
142.68401	0.8
145.10072	6.2
148.11227	1.4
155.08488	1.1
157.10092	4.1
158.09596	4.3
163.13597	1.3
164.07030	1.3
170.09689	0.9
171.09998	4.9
172.10185	3.2
172.11349	1.3
172.13321	1.3
173.09566	8.8
173.11011	2.4
173.13640	3.6
174.09052	0.9
200.10661	23.1
200.12738	5.3
201.13165	18.1
203.15030	1.1
204.10172	1.0
214.27966	0.7
218.11729	1.1
219.14095	1.4
228.10188	1.6
246.11229	1.6
259.17902	4.5
275.21075	0.9
287.17389	3.2
287.23209	0.8
305.05429	1.1
305.18536	100.0
305.21735	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15177	0.4
68.88342	0.5
70.06602	0.6
72.01599	0.5
72.08156	1.9
136.07607	0.5
160.07581	41.7
161.08392	1.2
174.09114	2.6
186.07475	0.8
186.09146	24.9
187.09904	6.9
189.10193	0.6
203.11748	2.2
204.12598	51.3
240.14011	0.6
270.14920	2.1
287.17691	1.2
305.18610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36240	0.5
56.96571	1.0
70.06578	0.8
70.13171	0.6
72.08142	2.2
84.08129	3.5
85.71290	0.5
98.97575	0.7
112.11236	10.8
117.03378	3.2
129.13875	20.3
145.02849	32.3
155.11789	5.2
156.03079	0.6
163.03886	0.7
176.29848	0.7
177.05472	100.0
178.05370	1.2
182.09431	0.7
196.06380	1.0
200.18118	0.6
222.04436	5.2
234.11247	58.5
240.05406	2.3
254.41092	0.6
260.89758	0.7
264.05353	5.1
304.98901	0.6
305.18600	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02993	0.7
55.05519	0.4
57.03425	1.1
70.06576	2.3
72.08156	9.9
73.02904	2.1
73.06545	2.0
75.04488	1.0
80.05003	2.4
84.08115	0.5
97.07655	23.1
98.06019	1.8
100.03986	10.0
101.02387	3.0
106.02859	0.6
112.03973	1.8
114.10252	4.8
115.08696	1.9
123.05562	2.0
124.03941	3.2
126.09170	0.6
141.06581	8.5
153.10252	4.2
154.08627	41.8
156.06525	1.0
163.03841	1.1
168.11322	22.4
171.11287	5.6
172.09639	1.1
173.09190	2.2
175.06042	2.5
180.68312	0.5
196.10823	23.4
197.09204	2.0
197.15086	0.4
228.12268	2.3
245.14966	2.2
246.13370	5.6
263.16095	1.1
270.14453	4.0
273.10800	3.4
305.06473	7.3
305.12405	2.9
305.18188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07054	1.2
90.77042	0.7
93.07069	1.3
95.04951	1.0
95.08597	1.4
98.97592	0.8
105.07006	1.0
109.10160	1.1
117.42220	0.8
118.06556	1.0
119.08616	1.0
120.08105	0.9
121.10217	1.1
130.05574	1.3
130.06537	30.7
132.08107	14.1
142.06532	4.1
144.08067	4.3
156.08101	3.4
157.07669	0.9
158.06010	0.9
158.08392	3.7
159.09183	92.9
160.06322	1.5
160.07578	27.1
169.07608	3.7
170.06006	34.5
181.07625	3.4
183.09209	4.0
184.07578	21.9
185.07106	39.6
187.08607	7.3
199.08659	1.8
200.07040	10.1
201.10260	16.8
202.08629	38.8
203.08195	3.3
204.06578	1.7
204.13841	9.7
209.07124	3.8
211.08786	1.0
217.09874	1.1
226.15944	0.9
227.08157	50.9
243.11353	3.1
244.16885	1.1
245.09227	100.0
255.07632	3.6
263.10379	1.1
269.09253	3.2
273.08701	33.9
287.10211	4.5
305.11353	12.1
305.18729	1.8
305.22107	20.1
305.25043	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	305.0635
Annotation	(plusmn)-Taxifolin
Peak:m/z	Relative Intensity
57.08643	2.9
63.46441	3.6
63.81156	3.6
94.18040	3.7
98.97588	5.2
115.92694	3.8
134.90329	3.9
223.47997	3.9
277.22211	4.3
305.06311	100.0
305.18475	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	305.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47124	2.4
60.08397	2.5
67.05515	4.4
69.03417	6.0
70.06593	3.7
71.83128	2.5
81.03423	4.8
82.48042	2.6
83.04993	3.5
85.02903	16.2
97.02899	4.0
101.00891	3.3
121.02861	4.9
126.09127	3.0
130.09805	3.3
139.03918	5.1
143.01891	9.8
143.03488	2.7
145.03394	5.6
155.01927	2.7
158.76648	2.7
161.02975	10.9
167.01877	4.0
171.01378	2.7
173.02971	3.1
185.02986	16.7
189.02458	2.9
197.03011	2.8
200.09180	4.5
203.04053	17.4
203.34268	3.5
215.04202	3.4
239.04077	5.5
245.05020	17.0
255.17772	3.0
281.04752	3.0
283.33334	2.5
305.03040	6.7
305.06314	100.0
305.14407	18.5
305.18127	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	305.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46014	1.5
57.03434	1.9
57.24267	1.8
60.05654	1.8
61.03775	1.9
69.03410	1.8
70.06577	11.8
72.08142	9.2
73.05762	1.6
84.04488	2.4
84.08118	2.5
85.02887	3.7
85.04807	2.2
97.07659	2.8
100.03960	4.2
115.08714	2.2
119.35683	2.2
124.03853	2.1
143.03325	1.8
154.08588	10.8
168.11319	3.8
189.13437	3.3
195.04781	2.8
196.10828	2.6
200.09190	2.9
213.05800	3.2
218.14148	1.8
246.09605	2.5
305.03378	3.5
305.06305	100.0
305.11362	2.6
305.14490	16.4
305.18216	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.3
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	29.1
91.05486	88.6
99.54466	0.4
117.37848	0.4
119.15584	0.5
130.01167	0.5
137.87691	0.5
151.30046	0.4
175.17839	0.5
187.23705	0.4
212.23735	33.4
242.09875	0.5
304.29996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71813	0.2
56.04966	0.2
59.96904	0.2
71.20667	0.2
83.51534	0.2
84.04419	0.6
86.09583	9.5
86.10159	1.1
87.04349	6.9
87.04923	0.7
102.05464	0.3
104.99196	0.4
121.10112	0.3
126.96828	0.2
128.60034	0.2
130.04955	0.3
156.02769	0.2
166.04939	0.4
190.98019	0.2
194.04485	1.4
203.14331	3.2
212.05499	1.2
219.17444	100.0
239.43468	0.2
240.05147	0.4
256.22885	0.3
258.06140	0.3
304.26492	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	304.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64878	0.4
57.79108	0.6
70.06586	0.8
86.09286	0.7
86.09715	11.8
87.04485	4.6
88.07625	2.1
96.08891	0.5
102.09176	0.9
103.44834	0.5
104.99255	1.3
110.14831	0.6
199.90562	0.7
203.14323	4.7
212.05733	0.6
214.20827	0.7
219.17436	100.0
230.20921	0.6
242.24774	5.4
249.72595	0.6
304.25928	14.6
304.29205	2.3
304.51950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31898	0.5
51.73025	0.5
137.35048	0.6
160.07581	18.1
161.07913	20.7
163.54543	0.6
171.09895	0.8
186.07469	0.7
186.09146	36.1
187.09520	75.5
188.10269	28.1
197.94843	0.6
203.53726	0.6
209.48933	0.6
217.13321	0.9
218.14101	16.1
219.14490	33.3
304.21002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.21
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70403	0.4
56.87439	0.5
64.28966	0.5
71.53391	0.5
104.54549	0.5
110.75693	0.6
111.16967	0.6
142.20198	0.5
158.18976	0.5
160.07553	15.5
161.07918	19.8
171.09950	1.2
186.07462	1.1
186.09138	38.3
187.09512	75.1
188.10248	24.6
217.13300	1.0
218.14082	15.2
219.14471	32.7
304.20984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.155
Annotation	Carinatine
Peak:m/z	Relative Intensity
54.75041	0.2
55.05500	0.5
56.96569	0.4
63.79784	0.2
70.06592	0.5
72.08134	1.6
84.04517	0.5
91.05472	0.3
98.97581	2.3
109.06520	0.3
116.98586	0.4
120.08096	1.1
121.08851	2.1
122.09653	1.4
131.07272	1.2
132.08113	1.3
134.09633	0.4
144.08101	3.9
145.08810	0.3
146.09671	2.5
147.04465	0.4
148.07552	0.4
149.11983	3.1
157.08841	1.6
158.09642	4.3
159.10399	1.9
160.11282	0.4
162.09131	0.6
170.09660	0.4
172.07573	3.9
173.01227	0.5
174.09125	1.9
176.10703	17.9
177.11481	8.4
186.09145	1.9
187.09924	22.2
190.08690	0.4
194.04332	0.4
194.79301	0.4
205.10980	9.0
205.84967	0.3
212.10818	0.5
230.11786	0.5
240.13797	0.4
242.11794	0.6
242.15208	0.3
256.13235	0.3
268.13403	0.5
281.01797	0.4
286.14374	3.7
289.13193	0.3
298.07706	0.6
300.41830	0.3
304.15417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56408	1.1
51.97314	1.2
55.05504	6.3
56.05028	3.1
60.04527	12.0
60.91172	1.1
64.21992	1.2
67.05500	5.2
68.05023	6.0
70.02955	26.2
70.06585	3.3
72.08163	71.3
73.08466	1.4
74.02448	40.5
74.06083	24.7
74.19755	1.2
79.05487	9.0
79.20416	1.1
81.07064	22.3
82.06573	2.3
83.06110	10.8
84.04508	13.5
84.08176	5.0
85.02885	1.9
86.09708	17.9
87.00844	2.3
91.05472	10.6
91.92232	1.3
93.07047	22.7
95.04990	2.0
95.08611	17.6
96.04495	33.7
97.06473	1.3
98.06049	2.3
98.85947	1.3
100.07632	28.0
101.07140	1.6
103.08134	1.4
105.07027	7.7
107.04964	41.0
107.08583	7.3
109.06542	1.4
110.02380	1.4
110.06031	11.1
111.05509	1.3
112.03965	6.1
117.06993	2.2
118.08662	13.1
119.08556	3.3
120.08097	2.8
121.06474	10.9
121.10168	19.0
122.06052	1.7
123.08057	9.5
123.11695	3.4
127.08667	7.5
129.06610	1.7
130.04976	2.9
131.08589	19.5
132.10182	10.9
133.06470	5.5
133.10144	17.0
134.06029	1.8
135.08078	5.6
137.06053	1.7
138.05484	2.0
139.11188	11.7
140.03407	3.5
141.10175	1.7
142.04982	5.7
143.08551	1.9
145.09734	16.5
148.11247	11.5
149.09625	23.9
150.12793	1.5
151.07520	21.1
155.08185	2.3
156.06630	1.8
158.09662	1.9
159.08057	8.1
159.11281	28.2
160.11279	1.6
161.09612	16.7
162.09077	2.5
166.12274	14.4
167.10735	1.5
168.06544	2.1
173.09224	31.9
176.10707	62.6
177.09148	11.3
178.12253	18.4
179.10605	1.7
184.06044	1.5
186.09146	14.3
187.07533	6.4
187.10771	31.7
187.14413	1.7
194.11780	36.1
195.10214	1.7
197.08066	1.5
197.12900	2.1
198.96448	1.3
204.10211	43.9
204.12117	1.5
205.08606	6.5
205.11829	22.8
212.12840	22.6
213.11320	1.8
222.11279	92.0
232.09749	3.1
233.14995	7.8
240.09848	1.6
240.12277	39.0
240.14517	1.9
245.12862	5.1
250.10715	36.6
258.13379	31.3
259.05530	2.7
268.11829	31.9
276.13449	13.1
281.01740	1.5
286.12933	16.2
286.17514	9.6
304.05017	2.2
304.13913	100.0
304.18008	8.4
304.21484	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	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05025	0.3
63.03423	0.3
63.64616	0.4
71.08636	3.8
84.04489	1.9
85.02425	0.5
85.02914	8.8
87.00842	0.4
87.04472	0.4
88.11272	22.4
90.33512	0.3
92.17909	0.4
94.34516	0.3
102.05547	2.8
103.94315	0.3
124.03887	0.5
130.05000	25.4
131.03410	0.6
144.77538	0.3
152.03407	0.4
160.07555	0.6
172.13313	19.6
186.09151	2.0
187.09468	3.3
188.10234	1.4
200.12820	100.0
218.13918	8.7
219.14507	1.9
244.06047	1.3
245.08151	0.4
254.10373	0.3
260.05508	0.5
276.08734	2.1
286.12802	0.7
292.58405	0.4
304.08185	6.8
304.13785	4.2
304.17520	0.5
304.20901	4.9
319.45166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45069	0.3
53.70814	0.2
64.09518	0.3
69.03418	0.4
71.08640	5.0
71.77431	0.3
74.76399	0.3
84.04496	1.6
85.02912	8.8
87.00811	0.4
88.11275	21.5
89.08942	0.4
102.05556	3.5
119.22221	0.3
130.05008	33.0
131.03358	0.6
160.07545	0.6
161.07915	0.8
172.13324	18.2
182.90636	0.3
186.09132	1.7
187.09569	4.8
188.10266	2.0
200.12825	100.0
218.13879	11.5
219.14479	2.0
231.48979	0.4
255.14827	0.4
286.12927	1.4
304.13950	4.3
304.16943	0.3
304.17569	0.4
304.20981	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	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
71.08633	4.7
73.56409	0.2
80.59319	0.2
84.04536	2.1
85.02428	0.4
85.02911	9.3
87.00802	0.4
87.04443	0.2
88.11272	23.8
97.41451	0.3
102.05549	3.6
112.04014	0.5
130.05008	33.0
131.03438	1.2
144.08066	0.3
170.09689	1.1
171.09955	2.3
172.10503	1.7
172.13319	21.3
173.10783	0.4
200.12823	100.0
203.15015	0.3
204.15370	0.3
214.08655	0.3
218.13884	10.8
229.56470	0.3
286.12781	2.3
304.13986	3.5
304.20566	5.0
329.20401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09743	0.1
58.06585	0.3
68.05030	0.2
81.80743	0.2
84.04487	0.3
88.11247	0.2
123.95229	0.2
136.06171	0.2
140.14943	0.2
144.08107	2.6
145.07346	0.3
145.08418	3.9
146.08766	2.2
147.09120	0.4
154.12283	0.3
155.12601	0.3
158.09653	0.4
159.10011	0.2
160.07550	0.4
161.07936	0.8
170.09660	6.4
171.09995	15.6
172.10403	10.8
173.07211	0.3
173.10783	5.5
174.11430	1.6
186.09158	1.1
187.09703	1.7
188.10239	0.9
188.12708	0.2
201.13661	0.8
202.14629	1.5
203.14999	4.7
204.15334	3.7
205.15651	2.2
213.10222	0.7
216.06602	0.4
217.39464	0.2
218.14098	0.8
219.14455	1.9
226.09750	5.9
226.70219	0.2
227.10533	20.1
228.11249	3.2
240.11311	31.3
242.09306	0.3
256.10803	100.0
268.10803	40.7
274.20013	0.3
282.45694	0.2
286.11865	68.6
304.12930	61.1
304.20071	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	303.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21556	2.2
55.05529	30.4
57.07079	14.2
62.19695	2.4
65.49598	2.4
67.05515	37.9
69.07072	58.9
71.05001	6.2
71.08641	4.7
71.92410	2.8
79.05502	5.5
80.68498	2.4
81.07063	84.0
83.08622	52.9
85.06519	4.0
91.05406	2.3
92.51772	2.4
93.07030	12.6
95.04996	3.2
95.08609	100.0
97.10170	59.5
105.07037	4.1
107.08617	11.5
109.10152	57.3
111.11703	18.5
119.08589	12.9
121.10155	6.0
123.08080	26.1
123.11711	28.0
125.13280	4.6
133.10149	12.0
135.11713	5.4
137.13284	5.7
145.10167	5.3
147.11685	10.7
160.04730	2.6
199.14740	4.0
211.14774	4.2
218.14166	10.9
249.25679	3.9
267.21088	3.2
267.26898	11.4
285.22012	16.1
285.27750	30.3
303.23260	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53812	2.1
55.05510	16.2
57.07064	5.5
63.87293	2.2
66.59274	2.2
67.05504	25.0
69.07072	25.6
69.77729	2.1
71.04987	3.3
71.08615	3.7
79.05495	10.5
81.07063	39.4
83.08622	20.0
91.05475	10.8
93.07024	16.4
95.08604	45.2
97.10168	22.0
105.07048	5.0
107.08683	2.8
109.10149	24.9
111.11712	6.1
119.08589	4.1
121.10136	3.0
123.11707	10.4
133.10138	3.7
137.13200	4.2
144.07944	2.4
145.10126	5.3
147.04047	2.8
147.11620	2.5
159.11714	3.8
167.10706	3.1
171.11763	3.6
173.13286	4.0
181.87914	2.6
201.16383	3.3
205.16275	3.1
217.13411	3.2
218.14134	11.3
285.19449	4.1
285.22220	11.4
285.27963	13.9
303.19415	100.0
303.23242	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	303.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84714	1.4
55.05530	14.5
57.07064	9.5
67.05520	22.7
69.07072	29.0
71.04992	4.2
71.08620	7.4
81.07066	45.1
83.08633	38.4
85.10184	2.5
93.07030	3.5
95.08614	51.3
97.10180	30.8
101.85828	1.7
104.61913	2.0
105.06976	2.2
107.08589	8.3
109.10158	31.5
111.11749	12.1
113.81173	2.0
119.08618	2.2
120.08080	3.7
121.10142	2.4
123.11725	15.6
125.13285	2.8
133.10120	1.9
135.11671	2.3
137.13274	2.3
145.10155	1.9
147.11664	1.9
149.09639	3.0
151.14847	3.1
152.81216	1.8
158.09631	2.6
159.11707	1.7
160.07600	8.6
163.11195	1.9
164.10773	2.3
170.09581	2.1
174.09087	2.9
177.05478	2.2
186.09163	12.8
187.09935	16.0
189.11469	8.7
203.11801	9.1
215.11847	2.1
216.12582	3.8
217.13419	2.4
218.12079	3.7
218.14159	75.9
239.09354	2.1
267.26801	3.8
285.19571	41.2
285.22260	4.2
285.27893	18.4
303.17465	7.3
303.20602	100.0
303.23248	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	303.232
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
55.05520	5.4
67.05515	16.5
69.03413	2.2
69.07063	12.0
71.04961	2.3
71.77852	2.2
73.31689	2.1
75.66491	2.2
77.83172	1.9
78.41782	1.9
79.05484	15.8
81.07069	23.3
83.02720	2.0
83.08604	2.4
91.05476	27.7
93.07046	20.8
95.08615	35.1
103.49052	2.2
105.07039	31.0
107.08598	14.1
109.10139	10.3
113.05988	2.8
117.06996	9.8
119.08578	21.3
121.10145	14.3
129.07018	9.7
131.08551	20.1
133.10123	16.0
135.11719	4.6
143.08588	4.2
145.10159	18.4
147.11678	14.2
149.13251	3.3
157.10110	13.4
159.11690	11.8
160.07588	9.7
160.20792	2.6
161.13235	17.7
163.14883	3.0
169.10141	4.6
171.11703	3.2
173.09648	2.6
173.13356	3.8
175.14870	2.6
183.11685	11.1
185.13254	4.4
186.09169	25.1
187.09866	9.2
187.11343	3.2
187.14812	2.9
197.13190	4.7
201.12849	3.3
211.14677	2.6
218.14142	22.5
229.15665	2.7
241.19383	2.8
267.21103	9.9
285.22113	13.7
303.20438	22.3
303.23361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2322
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
55.05520	6.8
57.07091	2.5
62.57747	1.6
67.05513	23.3
69.07087	5.8
71.08636	9.4
79.05511	9.0
81.07067	20.2
83.08630	2.0
85.06560	2.5
88.36014	1.5
91.05492	29.6
93.07043	18.7
95.08617	14.1
97.06527	3.0
99.08118	6.5
100.14507	1.5
105.07030	22.4
105.07542	1.3
105.35970	1.5
107.08617	13.5
109.10208	2.6
117.07004	10.6
119.08601	17.9
121.10170	12.7
123.11662	4.5
129.07051	10.1
131.08557	19.4
133.10179	11.5
135.11766	6.1
137.13275	2.4
141.07016	3.5
143.08606	3.7
145.10144	16.1
147.08064	2.1
147.11728	3.3
149.09647	3.0
155.08667	1.8
157.10193	3.6
159.08107	2.2
159.11707	10.1
160.07642	8.2
161.09627	2.1
161.13269	9.8
163.11176	1.6
163.14853	2.8
169.10188	8.8
170.09662	1.5
171.11703	13.9
173.09645	2.5
173.13275	6.8
175.14848	3.2
183.11751	6.3
186.09140	25.4
187.09872	11.7
187.11369	3.4
187.14865	3.7
189.12880	2.8
189.16444	2.3
191.10727	2.2
197.13275	3.0
201.12834	6.9
201.16589	1.8
202.63004	1.8
205.12338	2.5
205.15987	2.7
211.14886	2.2
218.14192	17.9
219.17500	2.7
233.15506	2.0
239.18077	2.8
243.21053	2.6
247.16975	2.2
257.19104	7.0
267.21295	9.2
278.66006	1.5
285.22177	17.8
303.20459	18.6
303.23386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
52.72635	1.3
53.00308	1.6
54.97275	1.3
55.05514	7.0
57.07085	7.2
67.05517	13.3
69.07075	7.4
73.17193	1.6
73.58696	1.6
79.05502	11.5
81.07069	17.3
83.08601	2.7
85.10185	22.4
91.05496	18.3
93.07052	14.8
95.04987	3.3
95.08624	25.3
97.06539	3.4
105.06999	14.2
107.08630	14.8
107.70113	1.8
109.10165	10.7
113.09661	14.6
117.07034	3.0
119.08591	21.4
121.10156	15.9
123.11780	2.2
131.08589	17.3
133.10129	16.2
135.11726	9.4
143.08586	2.8
145.10147	14.2
147.08125	1.9
147.11696	14.7
149.13330	3.0
157.10112	20.9
159.11726	7.7
160.07603	3.9
161.13249	6.1
163.11200	2.0
165.12761	3.1
169.10254	2.1
171.11736	7.5
173.13287	21.6
175.11234	9.0
175.14900	9.5
177.57332	1.6
181.12267	3.0
183.11795	4.0
186.09161	22.8
187.09991	9.3
189.12856	2.7
189.16452	1.9
191.14279	3.4
193.12279	2.0
197.13335	3.2
201.12833	6.6
201.16438	4.0
203.14285	2.0
207.13875	7.3
215.14380	2.5
218.14148	14.4
219.17363	12.2
221.15439	7.7
257.22726	2.5
265.35358	2.0
267.21265	3.2
285.22214	18.1
294.61295	1.7
303.20468	15.8
303.23334	100.0
306.06711	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
51.63655	1.2
54.86269	1.2
55.01895	2.2
55.05511	6.8
56.36018	1.2
56.38950	1.3
57.07080	2.6
65.05124	1.4
67.05513	13.0
69.07066	7.8
70.31470	1.4
71.05004	2.1
71.08644	17.2
79.05493	7.4
80.81684	1.5
81.07070	10.4
91.05485	14.8
93.07040	10.3
95.08589	10.1
97.06541	5.4
99.08123	10.9
105.07067	14.5
107.08589	8.2
109.10143	7.4
117.07011	10.0
117.93801	1.5
119.08596	18.4
121.10172	8.6
127.11243	1.8
129.06998	6.9
131.08577	12.6
133.10153	16.3
135.11679	6.1
137.99202	1.4
141.06995	1.9
143.08589	2.9
145.10146	21.6
147.08090	6.6
147.11678	7.9
149.09637	6.0
151.11159	1.4
155.08719	1.7
157.10182	2.8
159.11668	10.0
161.09625	3.2
161.13248	8.5
169.10176	3.2
171.11702	44.9
173.09605	2.6
173.13242	8.1
175.14842	2.4
177.12741	1.7
183.11682	2.9
185.13254	6.0
186.09181	2.7
187.11165	6.5
187.14812	11.0
189.12717	11.7
189.16409	2.4
197.13205	2.0
201.12743	9.0
201.16330	6.1
205.15878	2.8
215.14330	2.4
219.13916	2.2
219.17528	1.8
233.15326	2.1
243.21155	5.7
257.18747	1.7
257.22659	3.5
267.21054	13.5
285.22156	40.1
285.25156	1.8
303.20493	4.5
303.23218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	Agallochin G
Peak:m/z	Relative Intensity
55.05507	6.3
55.48248	1.2
56.31535	1.2
57.07066	2.4
58.83049	1.5
63.91256	1.1
67.05516	17.6
69.07062	5.4
71.05020	1.4
71.08622	1.9
79.05498	8.1
81.07064	22.7
83.08631	3.2
89.27143	1.4
91.05486	24.2
93.07053	20.3
93.31962	1.5
95.08616	11.9
105.07052	16.8
107.08604	10.0
109.10210	4.5
117.07040	15.0
119.08595	14.6
121.06505	1.9
121.10154	7.9
123.11696	5.9
129.07011	8.2
131.08585	19.3
133.10159	10.9
135.08051	1.7
135.11716	3.4
141.07019	3.3
143.08530	3.1
145.10165	13.0
147.08084	2.6
147.11690	7.8
149.09642	3.5
149.13290	2.3
155.08629	2.8
157.10124	6.6
159.08102	1.8
159.11691	7.5
161.09589	1.7
161.13286	5.7
161.57729	1.4
169.10144	6.5
171.11699	2.1
173.13293	7.2
175.14819	6.5
183.11739	7.6
186.09137	2.2
187.11211	5.5
187.15025	1.7
189.16293	3.0
191.10646	2.3
197.13248	1.8
201.12764	8.4
201.16373	2.2
203.17975	1.6
205.12282	2.5
219.13914	2.0
221.15509	1.4
233.15311	2.0
243.21109	6.8
257.19067	3.3
267.21149	7.0
285.22147	12.7
303.23218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	Agallochin G
Peak:m/z	Relative Intensity
55.05519	3.7
57.30025	1.8
65.31873	2.1
65.72884	2.2
65.85793	2.2
67.05508	3.1
69.07066	4.3
69.50294	2.6
74.18634	2.3
81.07066	11.6
83.04991	6.0
89.76823	2.6
91.05513	3.2
95.08623	23.6
97.06566	3.8
105.07073	5.1
107.08601	13.8
109.06521	3.5
109.10141	13.1
111.08081	3.9
119.08620	13.0
121.10127	20.7
123.08092	5.8
123.11705	2.9
131.08592	2.9
133.10138	16.1
135.11700	10.6
137.09616	11.5
137.13283	2.5
139.11224	17.1
145.10118	10.1
147.11691	24.7
149.09634	4.0
149.13235	2.8
159.11691	3.0
161.09583	3.5
161.13287	5.0
171.11678	5.2
173.13234	5.9
175.14862	10.8
177.05656	2.4
177.12724	3.1
180.11337	2.6
187.14798	3.0
189.11514	3.3
191.14404	2.8
197.13336	3.6
201.16431	3.6
211.14919	3.4
218.14153	28.4
229.15854	5.7
267.21078	5.1
285.19501	8.8
285.22223	37.3
303.16895	3.9
303.20407	35.5
303.23267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	Flexusine B
Peak:m/z	Relative Intensity
51.72767	2.6
69.07069	2.8
72.26395	3.0
74.91125	2.9
77.41447	3.5
81.07069	4.8
93.07058	8.1
95.08600	26.1
105.07053	12.7
107.08599	15.7
109.06523	3.7
109.10169	21.0
113.79586	4.1
119.08600	14.7
121.06497	3.8
121.10147	6.6
123.11712	6.3
131.08595	3.9
133.10132	8.1
135.11749	3.7
145.10118	5.2
147.11760	7.0
159.11652	4.5
161.13263	8.3
166.77414	3.6
169.10126	5.3
171.11668	4.6
175.11249	4.0
183.11687	4.1
203.83676	3.8
211.07512	4.1
218.14104	7.5
236.55801	3.5
267.21207	5.6
278.05609	3.6
285.22095	15.1
303.17105	4.9
303.20285	16.6
303.23239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
53.19930	0.9
55.05507	5.4
57.07069	5.2
58.02039	0.9
67.05514	19.0
67.38699	1.0
69.07078	5.5
71.04997	1.2
79.05518	9.1
81.07066	19.0
83.05032	1.2
83.08615	4.1
83.66436	1.0
85.06538	1.3
91.05483	24.6
92.18516	1.0
93.07048	16.2
95.08617	15.7
97.06555	2.0
105.07046	17.5
106.59267	0.9
107.08588	11.5
109.10171	8.5
117.07014	13.0
119.08601	12.4
121.10142	10.4
123.08088	1.1
123.11736	9.5
129.07011	8.5
130.06563	1.8
131.08594	15.1
133.10161	9.4
135.08057	1.6
135.11697	5.8
137.13281	2.3
141.07025	7.2
143.08592	4.6
145.10149	16.4
147.08083	2.3
147.11681	7.5
149.09660	5.9
149.13287	3.9
151.11140	1.4
153.09099	1.4
155.08595	2.0
157.10164	5.0
159.08069	2.2
159.11676	7.9
160.07585	4.2
161.09677	3.9
161.13222	7.0
163.14879	1.9
167.10664	1.8
169.10135	7.6
170.09679	1.1
171.11754	6.5
173.09666	2.5
173.13289	5.4
175.14891	5.6
177.08957	1.1
183.11794	5.4
185.13257	4.1
186.09149	15.5
187.09915	6.8
187.11295	5.9
187.14879	3.8
189.16414	4.3
191.10754	1.3
191.94835	1.1
197.13318	4.7
201.12665	7.2
201.16409	4.9
203.18047	1.4
205.12314	2.3
213.24120	1.6
215.14381	1.8
218.14117	11.9
219.13905	1.4
219.17502	1.8
233.15450	1.9
239.18091	1.4
241.19496	1.2
241.23532	11.5
243.21196	6.3
247.17445	1.2
257.19055	2.2
257.22641	1.4
261.18463	1.4
262.14377	17.2
267.21030	7.5
285.19318	1.9
285.22116	15.5
303.20517	11.2
303.23318	100.0
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	Agallochin G
Peak:m/z	Relative Intensity
54.58847	11.5
55.05516	13.9
57.07080	22.6
59.55344	8.7
62.78667	9.3
67.05510	21.6
71.08608	9.6
73.21053	9.5
81.07044	41.0
83.08617	15.6
93.07045	14.7
95.08578	71.8
107.08581	53.2
109.06571	11.9
109.10152	49.4
119.08619	18.1
121.10147	25.3
131.08560	10.2
133.10153	21.7
135.11708	13.6
136.93129	11.1
147.11792	11.7
147.49728	11.5
159.11688	19.6
161.13268	14.3
168.16112	10.8
172.95229	20.7
177.16301	12.4
218.14244	42.4
228.97931	17.7
246.98930	16.1
262.18073	11.3
271.12631	12.9
285.22089	19.8
303.17239	17.7
303.20465	51.3
303.23462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34970	0.4
50.97734	0.4
56.42965	0.4
58.06608	0.5
83.85240	0.4
89.79542	0.4
99.16492	0.4
107.63138	0.4
144.08099	24.1
145.08868	0.7
158.09572	1.6
160.07578	7.4
161.08316	0.6
170.09657	100.0
171.10432	37.2
184.57401	0.4
186.09157	4.0
187.12341	0.6
201.13896	3.2
202.14661	44.0
204.12611	6.0
303.17072	12.9
303.20630	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46418	0.2
58.06597	0.6
68.56187	0.2
70.73273	0.3
71.84708	0.3
73.50706	0.3
74.97911	0.2
93.03955	0.3
101.25863	0.3
116.80877	0.3
160.07574	31.0
161.08313	1.2
170.09618	1.2
174.09174	1.4
175.10034	0.3
186.09145	88.1
187.09920	37.7
202.11063	0.3
217.13339	3.6
218.14143	43.5
303.20673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17919	0.5
58.06605	0.7
87.99713	0.6
118.33105	0.5
139.35516	0.5
160.07571	35.1
161.08377	1.0
170.09602	1.0
174.09204	0.7
186.09138	100.0
187.09917	41.5
202.10979	0.7
217.13437	4.1
218.14142	42.1
270.73065	0.5
303.20663	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	303.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41212	0.5
55.95960	0.5
55.97773	0.5
58.06595	1.3
59.65556	0.5
60.13842	0.6
63.66225	0.5
67.05546	0.5
70.06583	0.9
84.08130	0.7
93.07016	0.6
95.46595	0.6
101.13905	0.5
101.65841	0.6
103.75948	0.5
108.08119	4.2
114.09163	7.6
118.06529	0.9
120.08070	0.7
144.08105	4.2
147.49133	0.7
150.12833	0.6
157.08836	1.0
158.09673	6.3
160.07576	3.7
170.09637	4.9
171.10271	0.6
172.11110	0.9
182.09552	0.8
184.11209	1.1
186.09117	8.1
187.09943	6.1
196.11124	2.5
199.10588	1.1
199.12315	19.1
200.13062	2.3
201.13940	1.5
213.13855	21.5
215.15475	5.2
218.14108	9.1
227.15450	11.7
242.15363	1.5
243.14948	4.3
243.18639	1.4
246.33348	0.7
253.17009	2.5
271.18048	98.2
285.19611	3.2
303.20654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	3.5
63.35651	0.4
66.65512	0.4
67.05502	1.1
69.07058	0.7
69.81252	0.4
71.04990	0.6
79.05478	0.7
81.07045	1.9
91.05488	0.5
93.07028	2.3
95.04959	0.7
95.08588	2.6
105.07017	2.9
107.08587	2.5
109.10133	1.7
119.08582	5.4
120.08095	1.0
121.06480	0.9
121.10137	1.0
123.03339	0.4
131.08525	0.5
133.10086	0.8
135.08098	0.6
135.11719	0.5
137.05943	2.8
144.08070	0.9
145.10071	1.8
147.11696	1.0
149.13329	0.8
158.09642	0.6
159.11700	2.2
160.07582	18.4
161.08304	2.5
161.13239	0.9
170.09622	0.9
171.10225	0.6
172.10515	0.5
173.13254	0.5
174.09161	2.4
175.09943	0.9
175.14796	0.5
186.09148	53.2
187.09926	28.0
189.11459	0.8
199.15005	0.7
200.13058	0.5
202.10936	0.6
203.11784	3.1
215.11848	0.5
217.13362	11.9
218.14148	56.4
229.13385	0.5
243.11635	0.5
257.12830	1.1
285.12183	0.6
285.19528	6.3
285.22253	2.4
295.25787	0.6
303.20627	100.0
310.94019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	4.9
59.27066	1.0
66.53813	1.1
67.05486	1.2
78.63983	1.4
81.07053	2.1
85.86660	1.1
89.50696	1.2
93.07044	2.3
95.08585	2.4
107.08583	9.0
109.10256	1.2
120.08090	1.9
121.06496	4.8
122.09698	1.4
134.09612	1.4
136.11227	1.5
144.08092	7.6
146.09637	1.3
158.09647	7.3
159.06757	1.8
160.07602	1.6
164.10709	10.3
168.73289	1.3
170.09630	6.6
172.07596	1.5
172.11250	1.8
174.09158	2.5
186.09184	2.6
188.07120	6.6
189.07898	7.2
197.12151	1.4
198.12692	1.5
212.14397	6.3
215.11880	11.3
218.14099	5.3
226.15878	2.7
232.13991	1.3
257.11859	1.5
257.14163	12.4
257.20139	7.9
272.16464	68.0
285.19589	100.0
303.20929	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60583	0.1
56.57177	0.1
58.06602	0.8
64.89188	0.1
70.06582	0.2
76.22318	0.1
89.27382	0.1
112.50423	0.1
115.75028	0.1
117.96293	0.1
118.08933	0.1
120.08130	0.1
131.07263	0.2
137.85654	0.1
144.08090	26.4
145.08890	1.4
157.08907	0.2
158.09645	1.9
159.10449	0.6
170.09645	100.0
171.10423	37.9
180.04758	0.1
186.11583	0.5
187.09544	0.1
187.12282	0.9
201.13872	4.2
202.14651	49.1
233.51511	0.1
242.11649	0.2
285.19562	0.3
300.97763	0.1
303.20660	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	303.207
Annotation	Benzastatin H
Peak:m/z	Relative Intensity
55.48151	0.3
58.06613	4.3
70.91073	0.4
71.33863	0.4
72.00124	0.3
73.90427	0.4
79.05474	1.8
81.05614	0.3
93.07040	3.1
95.08574	0.7
107.07988	0.4
107.08604	6.8
112.07518	0.4
118.06522	0.4
120.08062	2.4
121.06501	5.6
121.08878	2.8
122.09645	2.1
128.08418	0.4
136.11241	3.4
144.08046	1.9
146.09637	2.2
157.08908	0.5
158.09639	3.9
159.06812	2.4
159.08034	0.3
160.07541	0.9
164.10727	9.8
170.09648	1.3
172.07524	2.4
172.11238	1.6
173.08330	1.4
174.09155	3.4
174.12816	1.5
181.08711	0.4
186.09207	2.7
197.12038	1.7
200.14368	0.7
214.12312	0.7
214.15903	2.2
215.11821	11.1
216.12546	0.8
217.13333	0.5
218.14171	2.2
226.15866	2.9
227.11797	0.6
228.14015	0.4
229.13428	0.7
242.15413	3.4
285.19629	100.0
303.20685	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51743	0.3
58.06591	0.8
58.89114	0.4
70.37574	0.4
75.91502	0.5
90.52792	0.5
93.42357	0.4
124.60056	0.5
125.58298	0.4
160.07578	35.1
161.08354	0.5
170.09682	0.9
174.09094	0.9
186.09151	100.0
187.09923	40.8
202.10916	0.6
217.13345	3.5
218.14146	49.7
303.20679	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2069
Annotation	Benzastatin H
Peak:m/z	Relative Intensity
50.22921	0.3
56.79295	0.4
57.05795	0.9
58.06614	4.8
65.05081	0.4
67.01363	0.4
78.68717	0.4
79.05479	1.0
86.50612	0.5
91.05482	0.8
92.03280	0.5
92.17859	0.6
93.07027	2.7
95.08562	0.9
107.08009	0.4
107.08608	7.9
112.07591	0.6
120.08115	3.9
121.06496	5.8
121.08875	2.8
122.09692	3.4
132.08078	0.6
136.11223	3.9
137.26488	0.4
144.08086	2.3
146.06044	0.7
146.09628	2.6
158.09645	5.2
159.06775	2.6
160.07536	2.0
164.10712	12.3
170.09612	2.7
171.09984	0.7
172.07599	3.6
172.11122	2.9
173.08334	3.0
174.09138	5.6
174.12732	0.7
186.09076	3.0
186.12799	1.0
187.09827	0.5
189.11461	0.9
193.28717	0.5
196.11244	0.6
197.11967	2.7
198.12787	1.0
199.13538	0.9
200.14391	0.8
203.11771	2.0
207.57590	0.5
212.14296	0.5
214.12282	2.9
214.15886	2.1
215.11824	11.3
217.13367	1.8
218.14149	5.8
224.14363	0.7
226.15932	4.4
227.11742	1.0
229.13336	2.4
240.11806	0.5
242.15431	5.9
265.07053	0.5
272.16437	0.9
285.19623	95.4
303.20676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
56.13128	0.5
57.03426	0.5
58.06595	1.2
59.37924	0.4
70.06236	0.8
70.06595	11.7
71.06918	2.4
72.08163	20.3
79.05482	0.6
81.07085	0.7
81.21632	0.5
82.07367	0.8
84.08153	8.0
88.03976	0.6
89.10746	0.5
91.05505	0.6
95.08578	0.9
96.08133	1.9
97.06480	0.6
98.06037	1.1
98.09695	1.0
100.07626	0.9
103.17218	0.6
107.04905	0.6
107.08604	0.5
109.10148	0.6
114.05531	6.2
115.05857	2.4
116.07121	3.7
117.07404	2.2
118.06535	0.4
120.08143	0.6
123.08009	1.8
124.08427	1.3
127.57353	0.5
130.06517	2.6
131.06831	1.3
132.08109	5.2
133.08443	4.3
134.09644	0.6
137.06004	10.8
144.08098	13.6
145.08461	2.5
146.09642	2.3
149.05981	4.2
150.04976	0.5
151.07578	4.5
152.07881	0.7
157.08818	0.6
158.09647	6.3
159.09169	12.7
160.07541	1.0
160.09526	19.4
160.10963	0.9
160.11310	0.6
165.25774	0.6
166.08618	1.1
170.05975	2.9
170.09651	19.9
171.06401	6.1
171.07709	0.8
171.10410	9.1
172.11203	0.9
173.08116	0.8
177.05469	11.7
178.08624	0.8
178.97882	0.7
182.09645	1.3
183.10387	0.7
184.11169	2.1
186.07599	0.6
186.09172	1.1
186.12744	0.8
187.03372	2.5
187.09779	0.9
189.13864	2.6
196.11205	2.5
198.12808	2.7
199.12325	3.1
200.13078	4.1
201.13826	2.2
202.14662	10.1
213.13812	3.5
214.12270	1.1
215.02821	2.3
216.13803	0.8
218.14073	1.0
220.13335	24.0
220.98911	1.2
221.54442	0.5
227.15468	0.8
228.13809	0.6
229.16927	2.9
236.12741	0.6
237.15994	11.3
239.00002	1.2
242.15344	1.1
246.14903	0.8
248.12799	1.1
258.15082	1.1
260.16440	0.9
262.01575	0.9
265.15512	8.2
272.16342	2.2
273.19629	2.9
285.19550	1.0
286.10089	3.1
286.12680	18.7
302.70441	0.6
303.12775	22.7
303.20639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07729	0.2
53.25188	0.2
58.06609	0.5
66.13586	0.2
98.37294	0.2
108.68865	0.2
109.20292	0.2
117.83058	0.2
144.08093	24.0
145.08841	1.7
158.09657	1.4
159.10426	0.4
160.07582	1.0
170.09647	100.0
171.10426	35.2
186.09140	0.4
186.11443	0.4
187.09923	0.3
187.12366	0.4
196.99837	0.3
201.13873	3.6
202.14658	46.8
204.12608	0.6
285.19495	0.3
303.20657	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94258	0.6
58.06592	3.7
70.18014	0.6
79.05487	1.2
91.05451	0.7
93.07031	2.6
95.08576	1.1
96.33427	0.6
100.84372	0.6
105.07028	0.7
107.08613	6.8
114.77164	0.6
118.94408	0.7
120.08061	2.4
121.06496	4.0
122.09644	1.1
136.11224	3.7
144.08064	3.9
146.09634	0.9
158.09662	4.8
159.06827	0.9
160.07576	1.3
163.17529	0.8
164.10703	8.3
170.09648	2.3
172.07558	1.2
172.11205	2.8
173.08405	1.3
174.09119	3.2
186.09134	4.0
186.12868	0.8
187.09837	0.8
188.07060	4.8
189.07835	7.8
195.20961	0.7
197.12048	1.5
212.14349	5.3
214.12257	0.8
214.15828	1.4
215.11800	7.5
217.98305	0.7
218.14117	6.5
226.15968	2.3
229.13309	1.0
234.57037	0.6
242.15323	1.1
257.14093	11.8
272.16446	69.5
285.19611	100.0
298.34280	0.8
303.20639	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	303.2066
Annotation	Benzastatin I
Peak:m/z	Relative Intensity
55.05485	0.8
57.81807	0.8
58.06601	6.0
62.05452	0.7
67.05458	0.9
70.41718	0.8
79.05483	1.6
81.07057	1.4
92.18481	1.1
93.07027	5.7
95.08623	4.1
103.52924	0.8
105.06966	1.3
107.08592	11.0
120.08087	4.7
121.06503	6.9
121.08866	1.6
122.09653	3.8
136.11197	4.6
144.08099	5.6
145.08873	1.4
146.09666	3.2
157.08823	1.3
158.09631	6.7
159.06769	1.8
160.07535	1.7
164.10738	12.6
170.09659	3.7
172.07542	3.8
172.11206	3.3
174.09114	7.4
186.09128	5.9
187.09836	1.2
188.07054	6.3
189.07896	7.2
197.11983	3.8
198.12842	1.3
200.14420	1.2
212.14351	5.5
214.12350	3.4
214.15898	1.9
215.11809	13.3
216.12482	1.6
218.14241	7.0
226.15900	4.6
227.11801	1.0
229.13312	1.4
242.15373	4.2
255.14801	1.0
257.14017	9.8
272.13474	1.3
272.16455	50.2
285.19614	89.9
303.20663	100.0
322.41190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1809
Annotation	Viridamine
Peak:m/z	Relative Intensity
97.56341	1.3
106.69740	1.6
108.55992	1.4
111.30402	1.3
118.69831	1.5
137.00890	5.9
153.00352	35.2
155.01935	15.2
171.01405	100.0
186.09105	2.2
194.02948	3.2
194.59245	1.4
218.14131	2.6
219.08638	2.5
221.10226	10.9
237.09760	25.4
269.28317	1.6
303.18005	48.6
303.23419	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	303.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11554	0.2
50.24783	0.3
58.06609	0.6
70.91872	0.2
84.37392	0.3
98.30250	0.3
102.97641	0.3
144.08089	24.5
145.08881	0.7
158.09627	1.2
158.92712	0.3
160.07587	1.8
170.09647	100.0
171.10425	37.0
177.44154	0.3
186.09094	1.1
186.11444	0.4
187.12251	0.4
201.13864	4.0
202.14650	47.1
204.12567	2.0
233.87341	0.3
303.20651	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98872	0.6
63.12195	0.5
83.95982	0.5
87.25098	0.6
92.17838	1.6
118.65605	0.6
134.56227	0.6
136.76036	0.6
144.08095	14.7
160.07578	58.3
161.08318	2.8
170.09644	60.7
171.10432	23.2
174.09151	1.4
186.09146	29.9
187.09903	7.0
189.10286	3.7
201.13931	3.1
202.14647	29.6
203.11775	2.3
204.12585	46.8
240.10185	2.5
271.09778	0.6
285.16177	1.1
286.14420	1.5
303.17047	100.0
303.20706	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.05508	0.5
56.05033	1.0
56.16085	0.4
57.03433	0.4
60.04531	0.6
64.59933	0.3
68.24043	0.4
70.06603	5.1
71.04999	27.5
72.08159	3.5
82.06561	0.6
84.04509	0.7
84.08142	4.8
86.09712	3.5
97.06506	0.7
97.17962	0.4
98.06061	38.8
99.04462	37.0
103.02415	0.6
109.15208	0.4
110.05997	2.1
112.05064	0.8
112.07596	0.8
112.08721	0.6
114.05505	0.9
115.08681	1.0
116.07095	31.4
122.05978	0.6
123.06393	0.6
123.09142	0.6
124.07553	1.1
125.05956	0.8
127.08581	0.4
129.10255	4.5
130.08636	0.5
135.04407	0.8
136.07544	0.7
138.05547	3.7
140.07008	3.9
140.08096	1.0
141.06525	0.6
141.07480	0.8
141.10208	0.8
142.08612	2.7
147.07677	0.4
148.07501	0.6
150.05479	0.9
152.07013	2.6
153.05373	0.5
154.08546	1.8
157.09668	1.1
166.03410	0.7
166.08607	0.7
170.08104	3.1
172.08122	2.8
172.09518	0.5
173.06612	0.5
174.07535	0.7
175.11902	0.6
176.07068	10.3
178.08655	3.9
180.10106	0.8
182.08046	0.5
182.12914	0.9
183.11211	0.9
184.04485	2.9
188.09204	13.0
190.08591	4.5
191.07620	0.6
192.10130	0.9
194.08060	0.5
200.07184	0.6
203.13873	1.7
208.09833	2.1
210.11205	0.8
218.08115	9.4
218.14168	3.7
220.09608	2.0
227.11359	0.7
235.08679	0.8
235.10799	11.3
236.09059	0.6
238.10776	3.9
239.16006	0.5
249.07239	0.5
250.10738	10.8
257.14841	0.8
268.11865	0.7
275.18146	0.6
285.14059	3.5
285.19165	3.4
303.15402	100.0
303.20193	7.8
321.18793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57921	0.4
56.57683	0.4
59.98632	0.4
80.40307	0.5
98.97578	4.3
116.98650	1.0
119.01910	0.9
164.99635	0.5
177.00970	2.5
181.50266	0.4
200.16176	0.5
202.93411	0.7
218.14110	2.4
219.01974	6.4
220.94601	0.8
225.01062	0.5
238.95534	21.1
243.01932	9.1
244.02135	0.8
256.96616	100.0
257.96912	0.6
258.96872	0.5
261.03040	90.2
261.97177	8.8
261.99741	1.2
262.03122	8.9
265.95413	0.7
274.94427	1.8
274.97678	20.3
277.45749	0.7
279.98199	50.7
284.04517	0.6
284.98776	3.0
285.19730	0.7
297.99222	4.7
302.99887	9.3
303.04767	3.7
303.17477	0.7
303.20734	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	302.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79184	5.0
54.17491	6.7
78.16853	7.3
79.59988	6.5
100.07084	6.6
105.22657	7.0
107.26163	5.8
137.82495	6.8
172.78052	7.7
196.04460	7.9
205.10243	8.2
238.95462	8.5
241.10245	7.4
256.96594	100.0
261.03036	10.3
274.97702	37.4
279.98254	61.2
303.06671	36.9
303.20627	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	302.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	4.6
58.20771	0.2
60.12951	0.2
65.66523	0.2
70.06596	5.3
71.08635	1.9
74.06086	0.3
76.10477	0.2
85.10180	1.3
86.21652	0.3
88.07106	0.5
88.07638	14.3
102.09178	3.9
104.60147	0.2
106.08678	11.4
182.87477	0.3
225.87265	0.2
240.26750	0.3
258.27856	1.3
284.29501	9.8
294.65720	0.2
302.30551	100.0
305.25281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92487	1.7
57.07078	3.9
62.31702	1.5
63.27636	1.3
70.06580	6.5
71.08652	3.0
71.10892	1.7
74.06068	2.6
76.47067	1.5
86.74647	1.6
88.07637	27.3
92.07096	1.6
92.17908	2.7
94.19099	1.6
102.09192	3.7
103.31790	1.5
106.08653	9.5
118.29825	1.5
141.83595	1.5
148.57054	1.4
170.09627	1.7
228.23204	5.7
276.42059	1.7
284.29483	10.1
302.19308	6.0
302.22467	2.6
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	302.3056
Annotation	Sphinganine
Peak:m/z	Relative Intensity
54.40929	0.2
57.06831	0.3
57.07089	3.8
60.08594	0.3
70.06602	6.1
71.08641	2.5
85.10181	1.4
85.46783	0.3
88.07636	13.5
96.06303	0.2
102.09184	3.5
106.08678	10.5
121.69083	0.3
143.44150	0.3
219.09822	0.3
231.48016	0.3
258.27771	0.6
284.29495	8.8
302.30542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06831	0.4
57.07085	7.2
58.06593	0.6
61.59345	0.3
62.35673	0.3
65.87518	0.3
71.08640	5.3
72.04522	26.4
76.04130	0.3
83.08583	0.4
85.10200	2.5
85.10593	0.3
86.04581	0.3
87.40138	0.3
88.07619	0.8
92.17859	0.5
104.10727	1.6
150.54739	1.4
159.55298	1.6
160.05421	0.5
212.23732	15.8
240.23219	100.0
242.24857	0.7
274.27396	10.1
279.17032	0.7
302.19513	0.5
302.26880	10.0
302.30313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2079
Annotation	Leu Val Ala
Peak:m/z	Relative Intensity
55.05530	2.6
60.04535	1.1
69.07082	3.0
70.06599	2.7
71.82667	0.3
72.08165	57.4
79.05475	0.3
81.07041	0.4
84.04500	0.5
84.08137	1.4
84.78674	0.2
85.02908	0.2
86.06047	0.3
86.09716	100.0
87.04441	0.3
88.04007	0.5
94.76898	0.3
100.89996	0.3
102.09171	0.3
105.07044	0.5
107.04980	0.4
114.09176	0.6
116.07124	5.2
118.63566	0.3
123.04414	0.5
123.08051	0.5
129.10243	0.4
130.08653	0.3
131.04929	0.4
135.08081	0.4
137.05905	0.5
137.09660	0.4
143.11815	0.3
156.10410	0.3
159.11310	2.9
159.33595	0.3
163.07538	2.6
173.12863	0.3
181.68077	0.3
185.16507	36.2
189.12386	5.7
203.13869	2.3
213.15997	33.5
238.10738	0.4
277.77771	0.3
282.86667	0.3
284.19528	0.3
302.10086	1.0
302.15866	0.5
302.20798	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	302.2078
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
50.55850	0.3
52.29192	0.3
56.05049	0.5
60.04530	0.6
61.63870	0.4
70.06583	1.9
72.08162	8.4
81.12535	0.4
84.08150	83.1
86.09711	100.0
90.31329	0.4
101.10771	2.0
120.91411	0.5
126.09167	0.7
128.10721	67.0
129.10240	34.8
130.08646	74.2
139.29758	0.4
140.04207	0.6
147.11292	49.9
147.57939	0.3
155.11809	1.5
156.10226	5.1
164.10719	0.7
181.08595	0.5
185.16510	4.4
189.12357	0.8
213.15973	4.5
260.19659	0.5
284.19727	2.4
302.20758	99.3
311.31305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1501
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
55.01882	1.8
67.05513	0.4
67.72620	0.5
70.02949	0.8
70.06596	22.0
72.08142	0.6
81.07077	5.1
87.73238	0.4
88.03978	0.7
95.01865	0.4
95.08614	3.8
102.00212	0.5
104.38639	0.4
109.09574	0.4
114.05531	22.6
116.07102	17.8
122.50450	0.4
123.08080	8.0
125.07124	4.1
130.06537	12.5
132.08099	24.3
133.06483	2.1
141.09068	0.5
142.06567	0.9
144.08092	13.0
151.07562	6.5
159.09178	100.0
160.07579	1.9
164.85764	0.5
170.06009	21.2
170.09486	0.5
171.07697	3.5
172.07590	5.0
183.08099	0.9
185.80467	0.4
201.13777	0.5
211.07613	0.8
239.07005	4.0
243.11261	0.5
256.09558	0.7
257.12772	3.3
284.11420	0.7
284.21466	0.5
285.12341	49.2
302.15036	16.5
302.20032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02019	1.0
53.03946	1.1
55.01883	22.6
55.05521	1.8
56.96563	2.0
60.04248	2.2
60.04536	39.9
63.59441	1.0
67.05509	6.5
68.75299	1.2
70.02943	2.0
70.06232	1.7
70.06600	29.7
72.07764	1.2
72.08161	29.7
73.02906	5.0
79.05070	1.8
79.05505	44.0
81.03425	2.1
81.07067	84.7
82.27167	1.2
84.04494	4.7
84.08157	8.9
85.02913	1.5
85.06547	4.8
86.06063	8.2
86.09713	13.6
87.00784	1.3
87.04491	2.3
87.05593	7.1
88.03999	84.2
88.11253	2.2
90.41479	1.1
91.05477	2.7
93.07052	4.9
95.04958	5.6
95.08609	44.8
98.06065	2.4
99.04487	1.3
100.07587	1.2
102.03732	4.1
105.07040	86.8
106.05046	24.2
107.04962	5.2
107.08593	12.1
109.06529	4.7
114.09178	8.2
116.07096	93.8
123.04440	13.5
123.08075	100.0
129.10245	6.6
130.05031	1.6
131.12941	1.3
133.06508	43.1
135.08093	2.3
136.07414	1.5
137.05978	4.8
141.09120	7.1
143.08163	2.7
146.40956	1.2
147.04523	1.1
147.11313	1.5
151.07561	54.2
159.11293	46.0
160.52707	1.1
165.05458	6.8
166.10307	1.2
169.06792	1.4
171.07648	2.7
173.67421	1.2
179.07132	1.8
181.08595	4.9
187.10825	10.5
192.03625	2.2
197.08098	31.2
215.09174	40.9
238.10741	2.1
255.99916	5.3
256.11774	13.3
284.11441	11.2
285.09808	1.9
302.06873	3.0
302.12424	97.1
302.15784	4.2
302.19589	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57314	0.5
55.01887	5.7
55.05505	0.8
65.66212	0.5
67.05509	6.0
70.02964	16.1
70.06580	1.1
73.02924	1.2
76.35344	0.5
79.05495	8.6
81.07066	70.6
83.04981	1.0
85.02899	1.0
86.09686	1.1
88.03505	0.8
88.04002	17.8
93.07043	1.2
95.04965	1.1
95.08612	53.7
99.08106	4.4
105.07050	7.2
107.04926	1.1
115.05512	0.6
116.03441	2.2
123.08074	97.8
127.40380	0.7
130.05013	0.9
133.06487	16.9
134.04526	6.4
141.09106	10.5
151.07550	100.0
160.07552	7.9
161.07903	8.4
162.50879	0.6
169.08623	5.7
174.09088	0.6
178.08582	2.3
186.09146	18.9
187.09544	38.2
188.10280	12.2
194.11752	0.6
206.08125	3.2
217.13391	1.0
218.14108	4.6
219.14491	13.7
220.09721	3.2
238.10716	2.7
248.09134	1.4
256.11807	7.4
266.10254	0.8
284.11288	18.9
302.12384	16.5
302.19431	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1022
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
68.15868	0.3
72.13001	0.4
74.97466	0.3
75.68694	0.3
79.05504	3.1
80.79192	0.4
81.07027	0.4
81.71619	0.3
87.32863	0.3
91.05475	1.5
93.07055	0.7
103.05473	23.8
104.04987	0.4
105.03417	0.6
105.07020	0.6
107.04964	12.4
108.04473	1.9
118.06546	1.6
119.07360	2.8
120.04449	0.8
121.06487	0.5
124.03962	1.4
131.04932	18.1
134.06013	7.1
136.03970	4.7
149.05974	4.3
150.05487	0.5
152.03442	5.8
153.04195	3.8
154.04993	2.2
160.03946	6.7
160.07544	0.6
164.03407	8.8
166.04971	1.6
167.08524	0.5
170.09615	1.4
171.09985	1.7
178.04987	3.8
186.09201	0.8
203.14951	0.4
210.03889	0.6
210.09145	0.8
211.09941	1.5
212.10683	5.0
216.11053	0.7
216.14584	0.4
221.05815	0.4
238.08624	7.5
239.32562	0.4
256.09677	100.0
302.10226	27.0
302.18890	3.6
302.22070	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	301.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.04998	0.2
57.71414	0.2
59.05012	0.2
60.05659	23.7
63.59254	0.2
69.07074	1.8
70.06604	1.9
71.04639	0.4
71.04996	7.6
72.08162	26.6
73.06556	0.5
78.41632	0.3
79.05482	1.5
81.06612	0.6
81.07063	10.3
83.08612	0.3
84.08145	2.1
85.02906	1.1
86.09702	0.5
87.04428	0.4
88.02203	1.0
89.02560	0.3
89.10788	1.1
90.11969	0.2
91.05469	0.3
93.07049	6.4
94.86324	0.3
95.04958	0.3
95.08591	1.5
97.06534	0.5
97.07658	1.9
107.08611	5.2
109.10162	0.9
113.03490	2.5
114.10291	21.4
115.08627	0.2
121.06496	2.6
122.06816	2.7
126.05481	0.5
127.07540	0.3
129.10202	0.5
131.12929	28.9
131.73798	0.2
134.02705	0.5
135.10716	0.4
135.11699	10.7
138.05426	0.3
138.09126	1.5
139.09525	1.7
144.08107	2.5
153.12761	5.8
169.06053	1.4
170.09634	6.6
171.10406	2.3
189.30032	0.2
194.03606	0.3
202.14638	2.6
230.18576	3.6
301.14835	1.5
301.18948	6.3
301.25977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70039	0.4
58.71814	0.4
60.05658	21.9
69.07052	1.2
71.04707	0.4
71.05005	5.8
72.08160	23.9
73.42491	0.4
79.05460	0.9
81.07058	10.3
84.08134	0.8
89.10761	0.6
93.07043	5.6
95.08579	1.0
97.07624	0.8
107.08633	4.6
109.10115	0.5
114.10290	20.1
131.12926	31.0
133.47644	0.5
135.11707	8.1
153.12750	4.0
153.33797	0.5
193.62497	0.6
230.18607	2.5
234.20911	0.6
301.25964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
57.03448	71.8
57.07087	0.7
61.02936	16.8
67.05492	0.5
69.07084	4.0
71.08652	0.6
75.04478	2.3
80.21489	0.4
81.07053	1.7
83.08614	2.5
83.48907	0.4
83.73547	0.4
91.37306	0.4
93.07016	0.5
95.08624	0.9
97.06552	0.8
97.10156	2.0
101.80899	0.4
104.10733	0.5
108.96712	0.4
109.10172	0.8
117.05498	100.0
119.08642	0.5
121.10158	0.9
131.53943	0.4
135.11687	0.9
141.52055	0.4
144.08061	1.0
146.83372	0.4
160.07590	1.0
168.41740	0.4
170.09657	5.0
171.10463	0.9
184.07327	1.0
186.09113	1.8
187.10023	0.7
189.11542	0.5
191.17944	0.6
197.08302	0.4
202.14703	0.7
218.14153	3.8
259.17169	0.4
301.18979	8.4
301.24020	13.4
301.29419	1.7
301.33044	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	301.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.03448	58.9
57.03708	2.3
57.07065	2.8
59.82237	1.1
61.02937	14.1
61.03199	2.0
67.05501	1.5
69.07067	4.8
70.88408	1.2
81.07047	2.2
83.08600	7.0
86.09681	2.2
87.76205	1.1
95.08617	1.5
97.10114	1.5
105.94582	1.4
107.08594	1.5
107.21360	1.5
117.05501	86.9
119.08494	1.4
121.10102	1.7
131.08537	5.5
132.10181	7.9
135.11702	1.4
144.07961	1.6
147.07974	2.9
159.08009	2.9
159.11633	2.1
160.07625	1.4
170.09593	6.9
171.08018	5.6
171.10313	2.0
171.11623	2.9
173.09546	5.8
175.11194	1.7
184.07381	1.7
185.07933	1.4
186.09108	6.9
187.11198	100.0
197.50615	1.3
199.11165	9.8
201.12700	3.2
202.14595	2.4
203.11732	1.9
213.12753	15.7
214.59305	1.4
218.14073	6.3
223.14807	1.3
227.14078	1.5
241.15778	1.5
241.19458	1.9
242.62924	1.4
280.64877	2.5
301.19073	7.4
301.21542	73.9
301.29208	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10561	0.5
55.01896	0.7
55.05255	1.0
55.05521	22.2
55.92219	0.6
57.03192	1.0
57.03448	20.3
57.06829	0.8
57.07084	14.4
58.06609	0.5
65.84168	0.6
67.05514	12.9
69.03410	0.8
69.07076	48.3
71.08637	6.9
73.06551	1.3
79.05489	7.2
81.07067	16.8
83.05014	2.4
83.08124	1.1
83.08626	33.4
83.66747	0.6
85.06571	0.5
85.10175	4.2
87.08134	0.8
91.05515	0.8
93.07040	10.1
95.03444	2.5
95.08611	16.7
97.06530	10.3
97.10169	20.7
101.06003	1.2
107.08615	9.5
109.10165	13.5
111.08102	7.3
111.11722	6.4
115.07576	0.8
119.08585	0.7
121.09348	1.0
121.10159	15.4
122.97629	0.6
123.11717	3.5
125.09642	4.5
125.13259	0.8
135.11696	11.4
137.08089	1.1
139.11191	3.8
144.08066	7.1
145.10138	0.9
149.13263	4.4
153.12733	1.3
157.20937	0.6
159.11742	0.7
160.06285	0.6
160.07658	1.4
167.14360	1.2
170.09639	19.6
171.10457	4.8
185.09589	0.6
186.09158	4.7
191.17935	9.7
202.14639	6.5
209.19000	9.3
218.14139	1.6
227.20038	1.1
260.11029	3.4
283.22803	9.1
301.19077	20.4
301.23758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2274
Annotation	Fastigiatine
Peak:m/z	Relative Intensity
51.77252	0.3
53.54950	0.3
55.05519	0.4
56.58154	0.3
57.30904	0.3
58.06592	1.7
65.03474	0.3
67.05491	0.5
69.07069	0.6
70.06583	1.7
73.06562	25.3
81.07053	0.8
82.06561	1.3
84.08124	0.8
93.07021	0.7
95.08602	0.7
96.08112	1.4
98.09701	0.4
104.93221	0.4
107.08562	0.8
119.08597	0.4
120.08103	0.5
121.10057	0.4
128.10738	0.4
130.06512	1.5
130.12267	0.4
132.08043	0.5
134.09636	1.5
138.12796	0.8
144.08101	7.2
146.09619	2.6
158.09657	6.4
159.11670	0.4
160.07588	0.7
160.11227	0.4
167.07333	0.4
170.09637	9.0
171.10425	2.3
172.11188	0.8
182.09673	3.4
182.11105	0.4
184.11252	0.6
186.09103	1.9
187.12315	0.8
196.11229	0.5
197.10747	1.5
198.12782	2.1
199.12279	4.0
200.13026	3.6
201.13841	2.1
202.14694	2.0
212.14403	0.8
213.13869	9.9
214.15974	0.7
222.12897	0.4
226.16013	3.6
229.17024	4.5
230.15291	0.5
238.15871	2.4
255.16208	0.6
269.19995	3.4
270.18484	0.7
283.20557	0.4
301.19220	8.7
301.22720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90358	0.4
57.18441	0.4
58.06594	3.0
59.07377	2.0
60.08180	3.5
64.38358	0.5
67.05495	0.9
69.07069	3.8
73.08940	0.5
77.28824	0.6
81.07059	2.6
83.24446	0.5
93.07051	0.9
93.55651	0.5
95.08591	4.4
105.07018	0.5
107.08572	2.2
109.10123	0.5
113.08327	0.6
115.25978	0.5
119.08582	1.0
121.10148	1.1
125.03398	0.5
133.10141	0.9
134.09673	0.5
144.08066	8.9
145.10086	0.8
146.06160	0.7
146.09656	2.8
158.06000	2.1
159.10451	0.8
160.07581	13.3
163.11134	0.5
170.09653	27.7
171.10432	7.8
172.07570	23.7
173.08369	100.0
174.09138	31.6
186.09227	4.1
187.09880	0.9
199.14914	0.7
200.10829	1.2
201.13911	0.7
202.14679	8.7
214.12282	4.3
215.11752	0.9
217.13435	0.7
218.14197	1.8
232.15709	18.7
242.15405	48.0
255.11206	0.9
283.20538	0.8
301.10886	1.0
301.19116	24.0
301.22733	80.2
301.69183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2273
Annotation	Fastigiatine
Peak:m/z	Relative Intensity
57.55046	0.4
58.06601	3.0
58.06853	0.3
59.07387	3.6
60.08170	3.2
63.49587	0.4
64.01533	0.4
67.05490	0.5
69.07082	3.1
73.08938	0.7
73.86909	0.4
81.07051	1.8
83.04953	0.5
83.08631	0.6
93.07037	0.5
95.08614	4.5
105.07018	0.4
107.08585	0.4
119.08559	0.9
120.08074	0.7
121.10118	0.7
124.88302	0.4
131.08536	0.6
144.08092	9.1
145.10101	1.6
146.06017	1.7
146.09657	2.4
147.11707	0.8
148.07619	0.5
158.05998	2.4
158.09676	0.6
159.11755	0.6
160.07564	12.1
161.09621	0.5
170.09636	20.5
171.10410	4.3
172.07582	22.4
173.08360	100.0
174.09148	32.7
186.09177	4.3
187.09885	0.5
199.14873	0.5
200.10757	0.6
201.13858	0.8
202.14635	4.5
214.12251	4.9
215.11862	0.6
217.13350	0.5
218.14117	1.5
232.15698	19.7
242.15388	47.4
248.13013	0.5
283.20599	0.6
301.19156	16.3
301.22726	80.5
305.32352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45362	0.1
57.79357	0.1
57.95029	0.1
58.06597	0.3
59.07391	0.1
60.08167	1.4
62.98275	0.1
63.35804	0.1
69.03432	0.2
70.81687	0.1
73.02908	0.2
85.02898	0.8
85.89619	0.1
87.04451	0.1
98.97596	0.4
104.10754	100.0
105.59428	0.2
138.56836	1.1
139.06935	2.0
139.56732	0.3
143.01866	0.2
158.99644	0.6
191.03885	0.2
200.04477	0.2
200.06474	0.2
211.09053	0.3
220.09584	0.3
220.59503	0.2
235.20259	0.2
236.14957	1.1
246.05234	0.2
267.77472	0.2
277.13052	0.2
278.06332	0.4
281.07166	0.2
301.19183	0.3
301.22409	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	301.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08912	0.2
56.75185	0.2
60.08178	1.5
61.38374	0.2
73.87982	0.2
82.50120	0.2
104.10754	100.0
108.71027	0.2
136.86597	0.2
136.94028	0.4
241.21797	0.2
273.96097	0.2
290.60782	0.2
301.19397	0.2
301.22495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04720	1.0
55.05510	1.7
58.06595	1.6
67.05501	1.4
69.07056	2.1
72.08183	1.3
81.07056	6.7
83.08619	2.2
85.06539	2.5
86.09719	1.2
91.05484	1.1
93.07043	1.7
95.08611	12.1
105.07043	2.0
107.05013	1.2
107.08624	2.0
109.10142	5.3
111.08058	7.5
113.09624	1.5
119.08533	4.3
121.10117	1.4
124.93868	1.4
131.08533	1.4
133.06480	8.2
133.10098	1.3
143.08519	1.7
144.08099	29.0
145.06470	2.9
145.10103	4.8
147.08041	16.1
147.11664	1.8
149.09651	18.5
155.08795	1.4
157.06505	5.1
157.10118	2.1
158.09749	1.7
159.08066	6.4
159.11768	2.2
160.07590	2.9
161.05981	2.0
161.09624	8.0
163.11198	1.5
170.09636	100.0
171.08093	12.3
171.10405	28.9
171.11711	2.4
173.09618	12.7
175.11183	29.9
183.11716	2.0
185.09604	14.4
186.09171	8.3
187.09782	1.5
187.11232	9.5
189.12758	44.0
199.11139	13.5
201.12502	9.9
202.14664	33.9
203.14299	5.2
203.54219	1.3
213.12672	13.3
213.16367	2.3
215.12155	2.8
215.14311	88.4
217.15892	2.1
227.14297	16.0
229.15884	2.9
240.14966	2.4
241.08990	1.5
241.15840	19.5
253.48540	1.4
259.16858	1.5
283.17233	3.0
283.20547	57.2
283.23679	2.0
301.11041	5.0
301.18970	73.5
301.21729	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2166
Annotation	Sugikurojin A
Peak:m/z	Relative Intensity
55.05510	3.7
59.05001	2.0
67.05515	1.4
67.59283	0.8
69.07067	1.9
69.24949	0.8
71.04995	1.2
72.08098	0.8
81.07056	4.5
83.08625	2.1
85.06540	4.3
93.07030	1.0
95.08597	8.1
97.10201	1.0
99.08083	1.3
101.48419	0.7
107.04935	0.9
107.08608	1.5
108.10706	1.0
109.10144	3.7
111.08081	5.4
113.09654	1.2
119.08630	1.1
121.10147	1.0
131.08640	1.0
133.06509	5.8
144.08101	19.2
145.06496	5.6
145.10118	1.1
147.08061	13.1
149.09627	23.1
149.10745	1.3
151.17911	0.9
157.06509	2.0
157.10155	1.6
158.09766	1.4
159.08076	9.1
159.11758	1.1
160.07558	3.3
161.05994	2.2
161.09639	7.1
163.11177	1.7
170.09647	62.4
171.08063	13.2
171.10378	20.5
171.11687	1.5
173.09641	18.8
175.11188	24.7
185.09639	16.5
186.09155	4.5
187.11160	9.4
189.12761	47.8
191.10751	1.5
191.14299	1.1
197.09763	1.1
199.11169	15.2
201.12617	11.2
202.14668	18.3
203.14363	7.6
205.21373	0.9
213.12756	18.0
215.14320	100.0
217.15857	2.0
223.14690	1.1
227.14270	18.7
229.15881	5.4
234.02986	0.9
240.15170	2.2
241.15845	20.5
243.17441	1.5
283.20563	56.1
301.11206	1.4
301.18930	38.8
301.21698	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
54.75188	1.8
55.05526	2.5
57.07073	2.2
67.01086	1.7
67.05512	1.9
69.07059	3.2
79.16524	1.6
81.07053	3.6
83.08627	4.1
85.06558	2.3
87.18560	1.6
89.83221	1.5
93.07072	2.1
95.08611	14.5
99.08173	1.9
102.47739	1.6
105.07002	2.2
109.10153	2.8
109.41676	1.8
110.32637	1.8
111.08042	2.5
112.01098	1.7
144.08051	3.3
145.06442	2.1
147.08014	17.0
149.09610	11.5
151.25793	1.8
157.06494	3.9
159.08064	29.3
161.09660	4.1
170.09683	20.8
171.08026	14.8
171.10434	7.3
173.09648	3.9
175.11172	16.4
177.88554	2.3
185.09605	28.8
187.11250	2.7
189.12758	100.0
199.11107	13.1
201.12759	15.9
202.14745	8.8
203.14401	3.0
205.12297	2.1
213.12779	12.3
215.14314	45.7
217.12302	2.5
217.15883	2.7
218.14099	1.9
227.14305	31.8
229.15735	2.5
231.12903	2.6
241.15881	26.2
243.17569	3.4
245.15364	2.4
283.20572	55.7
301.18918	13.3
301.21667	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	Dictyterpenoid B
Peak:m/z	Relative Intensity
55.05513	5.3
57.07081	4.1
62.00690	2.8
67.05520	7.5
69.07058	13.7
69.44326	3.1
79.05490	4.6
80.55270	3.3
81.07064	19.9
83.08638	5.8
90.71385	3.0
91.05484	13.8
93.07045	7.5
95.08617	45.4
99.10423	3.3
105.07026	14.1
107.08598	22.8
109.10154	20.3
113.09627	3.6
119.08537	11.8
119.13014	3.6
121.10142	41.1
123.08070	6.4
123.11718	12.9
131.08575	6.1
133.06499	7.9
135.11684	4.5
143.08586	5.2
144.08124	7.4
145.06393	4.4
145.10118	14.1
147.08052	4.5
147.11726	3.7
149.09601	5.1
157.06520	8.0
157.10242	4.7
159.11606	4.4
170.09630	45.3
171.10396	7.7
171.11729	5.6
173.09622	6.0
175.11229	4.8
175.14828	4.8
177.16396	33.3
185.09602	16.2
187.11119	4.1
199.11157	21.1
201.12686	3.6
202.14696	15.7
213.12820	5.6
216.12563	3.6
218.14200	6.6
227.14200	24.7
229.15839	5.6
230.24988	3.2
232.25188	4.8
241.15865	5.8
260.24811	16.8
271.20569	12.9
283.20584	20.3
301.18967	29.8
301.21686	100.0
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	Retinoic acid
Peak:m/z	Relative Intensity
55.05505	2.8
59.11562	1.3
66.98401	1.4
67.05503	7.0
81.07063	3.5
83.08609	6.0
88.48919	1.6
91.05487	1.8
93.07008	1.7
95.08634	12.2
103.36578	1.4
105.07071	1.8
107.08614	6.5
109.10141	8.9
119.08559	1.5
131.08594	2.4
133.06499	6.4
133.10129	2.3
144.08070	5.4
147.08084	5.2
157.10178	3.3
159.11662	1.5
170.09650	25.1
171.08130	1.8
171.10368	5.6
171.11705	3.1
173.09752	2.0
173.13300	3.3
175.11168	20.2
186.09209	3.5
187.11234	2.3
189.12752	6.1
199.11249	3.5
201.12659	2.6
202.14699	8.1
213.12674	1.5
215.14410	1.9
216.02681	1.4
217.15958	2.6
218.14136	10.7
224.64398	1.7
241.13509	1.7
241.15817	5.8
253.73116	1.6
265.19507	1.8
268.43265	1.5
269.12814	18.6
277.44705	1.5
283.20627	12.4
288.66861	1.7
301.17941	100.0
301.21753	19.0
301.32993	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	301.2164
Annotation	Dictyterpenoid B
Peak:m/z	Relative Intensity
52.13042	1.0
55.05516	2.1
67.05500	6.3
69.07056	5.4
72.59850	0.9
79.05489	7.0
81.07073	19.5
81.71085	1.0
83.04973	1.4
83.08619	2.5
85.06522	1.1
91.05487	4.9
93.07054	9.5
93.07553	0.9
95.04964	1.8
95.08604	16.7
97.10155	1.1
103.13198	1.0
105.07027	9.7
107.08604	13.0
109.06527	2.0
109.10165	20.2
111.04415	10.4
111.08125	1.3
117.07025	2.5
119.08587	8.3
121.06512	4.4
121.10155	11.9
122.29520	1.1
123.08076	7.3
123.11693	9.0
123.13162	1.1
125.05999	15.3
131.08572	7.3
133.06529	4.2
133.10135	11.4
135.08060	1.6
135.11705	5.8
137.05995	2.0
139.07564	2.3
143.08578	5.1
145.10152	11.1
147.08035	8.1
147.11702	5.1
149.09618	6.2
149.13237	5.6
151.07538	5.4
157.10138	7.3
159.08051	6.1
159.11731	7.0
161.09641	5.3
161.13260	4.6
163.14812	2.5
170.09657	5.8
171.08055	4.5
171.10422	1.2
171.11703	6.3
173.09616	6.3
173.13264	4.7
175.11177	8.7
175.14833	1.5
177.09148	5.8
177.16359	5.6
185.09630	6.1
185.13190	3.6
186.09132	2.3
187.11230	1.8
187.14853	1.9
189.12764	9.6
189.16397	2.0
191.10657	35.4
195.11589	1.2
197.13374	1.4
199.11160	5.1
199.14886	6.7
201.12749	2.3
203.10628	1.4
203.14267	1.8
205.12286	1.7
209.13281	2.2
213.12779	5.2
213.16422	1.6
215.14343	13.6
217.12271	2.4
217.15767	1.1
217.19414	1.2
219.13809	2.5
223.14822	2.0
227.14359	9.5
241.15894	5.1
255.21091	6.5
265.19498	4.8
283.20584	27.7
300.28149	1.2
301.19113	5.8
301.21671	100.0
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	Retinoic acid
Peak:m/z	Relative Intensity
51.01123	1.5
53.73217	1.7
54.01984	2.0
55.05526	3.3
57.03243	1.5
57.03450	26.3
57.07086	1.9
61.02916	3.4
67.49299	1.8
69.07049	3.9
86.09692	8.0
93.07044	2.1
95.08622	3.1
114.09128	2.2
117.05498	38.3
120.08035	2.2
121.10214	2.1
124.73747	2.0
129.52419	2.3
131.08600	3.8
132.10182	2.3
136.58881	2.0
144.08089	8.0
147.08090	2.4
157.09996	2.5
159.11618	2.8
170.09613	22.9
171.10384	7.9
171.11777	7.7
173.09602	3.6
181.02539	2.0
184.07326	9.3
185.13185	2.5
186.09154	3.8
187.11198	100.0
199.11134	9.8
201.12753	10.2
202.14644	4.4
211.72412	1.9
213.12785	11.0
240.10063	7.9
280.14880	2.9
280.65076	19.7
301.18921	17.3
301.21756	65.5
301.29251	27.4
320.19730	2.9
321.19913	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	Retinoic acid
Peak:m/z	Relative Intensity
55.05516	0.7
69.07072	0.6
81.07043	0.5
81.44257	0.4
83.08620	1.8
83.85989	0.3
91.44593	0.3
95.08580	0.4
123.11719	4.0
147.08110	0.4
160.27592	0.4
163.07584	4.2
171.08072	2.4
180.21420	0.5
185.09586	0.5
199.11171	2.1
205.12262	2.3
213.12740	3.3
227.14305	0.8
241.15805	1.9
259.16891	9.3
275.45108	0.4
301.21637	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	301.2162
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
51.22929	1.3
52.81110	1.4
55.01879	1.3
55.05531	3.2
57.07072	3.7
64.16330	1.5
67.05522	12.4
69.07074	10.9
71.05006	2.3
79.05499	3.9
81.07070	20.8
83.08648	3.5
85.06553	2.4
91.05479	6.5
93.07047	12.7
94.94182	1.6
95.04990	3.5
95.08614	31.1
97.06538	3.1
105.07035	16.0
107.08581	16.2
109.06505	14.7
109.10156	23.8
110.81586	1.6
111.08086	2.3
117.07034	7.0
119.08598	26.9
121.06531	3.9
121.10157	14.0
123.08117	5.8
123.11696	2.1
131.08574	24.0
133.06494	14.7
133.10164	18.4
135.08076	11.6
135.11688	2.7
137.09621	1.8
143.08553	7.0
145.06563	3.9
145.10129	32.0
147.08034	24.1
147.11703	11.3
149.09593	15.0
149.13266	2.9
157.06546	2.1
157.10158	8.2
158.10983	2.1
159.08047	26.0
159.11732	8.4
160.07587	2.0
161.09625	50.1
161.10886	3.3
163.11142	3.2
165.09023	2.1
170.09662	15.8
171.08063	11.7
171.10439	2.4
171.11768	6.5
173.09596	3.1
173.13251	44.6
175.11191	51.5
175.12581	2.7
175.14883	4.0
177.05461	2.6
183.11740	3.0
185.09613	13.5
185.13246	4.2
186.09212	4.2
187.11237	9.6
187.14873	3.2
189.12750	64.9
189.14357	2.8
191.14268	15.5
199.11240	14.0
199.13078	2.2
199.14885	8.6
201.12697	25.7
202.14761	2.9
203.14255	7.0
209.13354	7.1
213.12776	9.5
213.16481	3.3
215.14336	18.1
218.14220	8.8
223.14963	2.5
227.14281	20.6
241.15810	16.8
243.17378	2.3
255.21161	3.3
265.19608	2.7
273.22269	2.3
278.42139	1.7
283.20535	37.9
283.23273	2.3
301.18863	19.1
301.21765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
55.05534	1.4
56.74130	0.9
67.85772	1.0
69.07059	1.5
83.08611	1.8
83.15365	1.1
84.87410	1.1
85.06544	2.4
95.08593	7.7
111.08092	4.5
133.06461	4.1
145.06520	4.2
146.07294	1.5
147.08064	11.6
149.09624	19.4
157.06488	2.6
159.08037	5.9
160.07613	7.7
161.09625	1.9
163.11188	1.3
165.55733	1.3
170.09654	1.2
171.07986	12.2
173.09596	17.8
175.11174	15.1
185.09630	13.3
186.09122	25.8
186.10675	1.3
187.09842	6.0
187.11288	2.3
189.12755	39.5
199.11201	12.9
201.12755	5.7
203.14334	7.2
213.12769	16.0
215.11932	5.3
215.14310	100.0
217.13577	1.3
217.15854	2.1
218.14192	2.6
227.14307	14.4
229.15900	2.3
240.15004	1.6
241.15828	19.2
283.20557	46.2
283.23703	1.8
299.79791	1.3
301.18948	10.3
301.21786	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
55.05512	2.2
67.05503	5.2
70.67838	1.3
71.04995	1.9
79.05499	1.4
81.07073	2.2
82.80032	1.2
83.08629	1.8
85.06562	1.5
90.08862	1.2
91.05494	2.0
93.07059	1.8
95.08614	7.7
99.08125	2.2
105.07030	1.9
109.10174	6.9
111.08102	5.5
117.07032	2.7
118.32615	1.2
119.08588	1.5
129.07042	2.4
131.08597	5.3
133.06467	5.1
133.10138	1.8
143.08524	1.6
145.06564	2.6
145.10184	2.1
147.08086	10.2
147.11775	2.0
149.09624	19.7
151.75514	1.4
157.06497	3.2
157.10071	2.1
159.08084	5.2
160.07568	9.2
161.09666	2.8
163.11192	1.8
171.08041	13.0
173.09625	16.6
175.11201	16.0
185.09584	16.8
185.13199	1.7
186.09134	23.6
187.09828	4.9
187.11206	7.7
189.12758	38.0
199.11217	15.8
201.12726	9.9
203.14449	6.1
213.12737	13.9
215.12151	6.0
215.14316	100.0
217.15849	1.7
218.14201	3.2
223.14749	1.7
227.14325	13.4
229.15816	3.2
240.15083	1.6
241.15874	20.7
246.23409	1.6
259.16983	2.7
261.78653	1.3
283.20538	51.4
301.18936	11.3
301.21756	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
52.87367	1.8
55.05505	4.3
57.07048	2.9
57.17582	2.2
61.53769	2.1
67.05502	6.2
69.07058	11.9
79.05499	5.3
81.07065	18.2
83.08627	5.4
85.06559	3.2
91.05494	3.7
92.22549	2.5
93.07065	5.8
95.08620	36.4
97.06504	3.9
99.08086	2.9
101.27982	2.4
105.07041	2.7
107.08582	6.0
109.06542	3.4
109.10123	20.2
111.04436	2.8
111.08070	3.4
117.05100	3.8
119.08603	5.2
121.10140	3.5
131.08603	3.0
133.06490	15.8
133.10106	4.4
135.08070	3.1
135.11722	14.4
143.02878	2.7
144.08087	9.6
145.06462	3.1
145.10132	9.5
147.08084	27.1
147.11729	6.0
149.09648	19.3
157.06479	4.8
159.08063	21.4
160.07584	5.1
161.09627	13.5
170.09622	20.7
171.08038	23.7
171.10345	3.3
173.09641	12.5
173.13304	4.0
175.11191	64.4
185.09593	31.8
186.09178	16.2
187.11276	22.9
189.12747	81.8
197.09554	2.9
199.11186	25.8
199.14938	3.4
201.08888	3.1
201.12733	23.8
202.14662	5.4
203.14372	9.7
213.12764	15.7
215.14310	45.0
218.14149	19.8
227.14279	27.1
229.15755	3.0
238.59404	2.5
241.15857	43.8
243.17374	4.6
251.20004	9.4
255.21132	3.3
269.21075	5.4
273.22195	3.0
283.20413	66.3
301.18372	64.1
301.21674	100.0
320.80945	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	301.2164
Annotation	Sugikurojin A
Peak:m/z	Relative Intensity
55.05517	1.8
58.06625	1.6
58.51241	1.2
59.14293	1.3
59.57608	1.5
60.19411	1.4
62.95859	1.4
69.07061	1.3
81.07061	1.9
95.08613	2.8
133.06477	2.8
144.08070	27.8
147.08070	5.2
149.09630	10.9
159.07991	2.9
167.08476	1.7
170.09636	100.0
171.08017	6.2
171.10435	29.9
173.09618	6.8
175.11147	10.7
185.09644	6.6
186.09158	3.3
187.11203	2.4
189.12727	18.5
199.11195	5.5
201.12669	2.1
202.14645	39.4
203.14215	2.4
213.12733	6.1
215.12050	2.7
215.14282	48.3
227.14330	7.3
229.15889	1.6
241.08417	1.4
241.15817	8.1
277.90744	1.6
283.20508	26.5
286.07983	1.5
301.10751	12.6
301.19070	76.9
301.21817	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	Sugikurojin A
Peak:m/z	Relative Intensity
50.49148	0.7
54.27288	0.6
55.05506	1.7
59.04995	1.0
67.05492	0.9
69.07072	0.7
71.04974	0.7
81.07073	1.8
83.08623	3.1
85.06537	3.9
93.07025	0.8
95.08601	6.2
107.04943	1.1
107.08595	0.9
109.10155	4.1
111.08078	7.5
113.09624	0.9
133.06479	3.4
144.08102	18.0
145.06468	3.2
147.08044	10.1
148.98177	0.8
149.09622	20.3
153.06955	0.9
155.08569	0.9
157.06499	3.8
158.09752	0.9
159.08041	4.6
160.07533	1.3
161.09592	4.2
167.08539	1.0
170.09650	58.7
171.08124	10.1
171.10434	19.5
173.09622	17.1
175.11165	16.2
177.12823	0.8
179.07254	0.9
181.06488	1.1
181.28856	0.8
185.09583	11.7
186.09151	5.8
187.11215	4.2
189.12750	39.0
197.09644	0.9
199.11172	10.2
201.12642	7.4
202.14632	20.4
202.16402	1.4
203.14336	4.5
213.12732	15.6
215.14314	100.0
217.15822	1.4
218.14191	1.4
227.14291	14.3
229.15887	5.9
240.15105	1.9
241.08664	1.8
241.15826	20.7
283.20547	48.6
286.08273	1.4
301.10809	7.3
301.19031	39.3
301.21704	43.4
324.93448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
51.30129	5.4
51.63115	5.5
51.71529	7.2
54.10601	5.7
54.40580	5.6
57.07090	7.6
62.63764	7.0
74.92013	6.6
81.07061	30.9
85.80482	6.4
89.17537	6.2
91.05490	7.0
93.07037	25.7
95.08620	10.0
105.07007	15.5
107.08593	35.1
109.06525	32.4
109.10142	15.2
117.07011	9.8
119.08593	50.0
121.10125	31.6
129.42339	7.5
131.08566	47.0
133.10141	36.0
135.08067	33.1
144.08070	15.8
145.10164	66.4
147.11682	11.6
152.46060	8.8
157.10207	11.1
158.10921	10.4
161.09621	68.9
161.93094	6.9
170.09668	92.6
171.10425	27.7
171.11763	9.5
171.49390	7.8
173.13243	100.0
186.09120	12.9
191.14302	16.6
202.14661	29.0
209.13347	11.9
213.16579	9.9
218.14154	14.2
283.20560	14.6
301.18918	82.2
301.21799	35.9
301.29303	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	301.2165
Annotation	1beta-Hydroxyisopisiferin
Peak:m/z	Relative Intensity
52.23625	3.5
52.66605	3.4
53.09566	3.3
55.05524	7.9
56.24493	3.6
57.03439	9.1
60.90176	3.7
67.05511	7.4
69.07063	4.1
79.05488	5.9
81.07068	24.6
83.05000	6.3
83.08617	6.8
85.06564	6.1
91.05484	7.2
93.07047	16.9
95.08604	22.8
97.10201	5.7
105.07033	5.3
107.08607	9.0
109.10164	6.6
117.05608	7.8
119.08585	7.5
121.10149	10.7
129.07016	6.1
131.08562	22.6
133.06506	20.5
135.11720	7.6
143.08598	6.3
144.08083	27.3
145.10083	6.7
147.08060	22.6
149.09642	22.8
149.30083	5.0
157.10155	5.5
159.08051	8.9
159.11732	5.8
160.07547	18.1
161.09598	9.2
163.11215	4.9
170.09634	87.7
171.08037	5.3
171.10435	24.8
171.11765	9.2
173.09642	6.1
173.13245	4.4
175.11162	80.7
185.09653	20.2
185.13298	6.1
186.09201	40.6
189.12778	43.0
191.10776	6.0
199.11203	16.0
201.12717	26.5
202.14703	34.3
213.12628	6.7
215.11861	6.2
215.14404	5.3
217.15865	5.3
218.14174	27.4
227.14500	5.1
241.15942	22.2
283.20557	37.9
301.10904	6.2
301.14435	7.8
301.18942	100.0
301.21735	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	301.2163
Annotation	Sugikurojin A
Peak:m/z	Relative Intensity
55.05513	8.2
57.07077	1.4
61.43481	1.3
62.41133	1.3
67.05515	8.4
69.07067	7.1
74.20000	1.7
81.07063	9.1
83.08623	6.3
85.06538	3.0
91.42671	1.5
93.07056	3.0
95.08616	31.5
97.10171	3.3
107.08622	1.6
109.10155	20.0
113.09619	2.9
121.10167	3.5
133.06491	15.5
144.08089	2.6
145.06499	10.6
145.10107	2.1
147.08028	17.8
147.11649	2.0
149.09641	7.7
157.06474	22.8
159.08037	17.4
160.07591	3.1
161.09616	13.6
163.11172	1.7
170.09618	18.8
171.08081	24.0
171.10413	3.2
173.09561	11.3
175.11188	50.6
184.08980	2.9
185.09636	30.2
186.09174	12.4
187.11203	18.5
189.09221	2.3
189.12753	37.7
191.10631	2.3
199.11191	81.1
201.12741	20.2
202.14568	5.4
203.14328	6.4
205.12279	6.5
213.12759	38.1
215.14323	30.7
218.14229	8.3
227.14340	24.3
229.15826	3.4
240.15102	8.2
241.15904	49.4
243.17467	6.9
245.15686	1.6
259.16986	2.8
283.20575	100.0
301.18729	19.0
301.21671	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1911
Annotation	Trichostatin RK
Peak:m/z	Relative Intensity
50.41160	0.2
53.62864	0.2
54.06475	0.3
58.06597	1.1
64.22449	0.3
71.14243	0.3
99.53971	0.3
144.08090	24.3
145.08881	1.4
158.09671	1.9
159.10411	0.4
170.09645	100.0
171.10423	28.1
187.12271	0.6
201.13863	4.8
202.14650	31.3
248.17357	0.3
281.71091	0.3
301.19110	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
58.06611	1.4
66.31928	0.8
67.05504	1.4
69.03400	1.1
69.07062	1.4
70.43061	1.0
71.04981	1.0
72.08150	1.4
76.18407	0.9
76.46833	1.0
81.07054	4.8
83.08643	1.5
85.06532	1.5
93.07063	1.5
95.08608	7.2
97.06463	0.9
105.07061	1.7
107.08580	2.3
109.10168	3.8
111.08062	2.2
112.74194	1.1
112.83203	1.0
114.10291	1.0
119.08590	2.1
121.06484	1.1
121.10120	2.0
123.11651	1.3
133.06487	4.5
133.10127	1.8
135.08052	2.3
144.08095	30.8
145.08861	1.2
145.10120	2.2
147.08041	10.8
149.05894	1.1
149.09644	4.1
158.09564	1.0
159.08026	5.3
159.11745	1.2
160.07594	4.8
161.09558	7.7
163.11299	1.3
170.09642	100.0
171.08047	5.0
171.10413	28.0
171.11859	1.0
173.09659	5.8
173.13208	1.4
175.07607	1.2
175.11194	12.9
177.09093	1.0
184.07510	1.1
185.09604	5.7
186.09193	8.6
187.07562	1.3
187.11208	1.9
189.09045	1.9
189.12711	11.0
197.09679	1.8
199.11145	6.0
199.14899	1.1
200.13158	1.6
201.08987	1.3
201.12538	2.5
201.14136	1.8
202.14641	34.9
203.10600	1.4
203.14214	1.1
212.10753	1.5
213.06622	3.8
213.09131	4.1
213.12759	5.1
215.10648	15.9
215.14217	12.9
216.12474	1.2
218.14088	2.0
224.20102	2.0
227.10648	3.8
227.14294	4.9
230.11830	2.2
231.21652	1.0
241.15810	6.9
283.16980	8.4
283.20572	18.5
286.09412	0.9
301.07623	4.9
301.11606	9.6
301.18958	70.8
301.21872	23.0
301.26129	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	301.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	0.9
63.03075	0.3
66.44454	0.3
67.30173	0.3
70.06587	0.7
72.08154	0.9
75.90939	0.3
123.04431	0.7
144.08099	27.8
145.08873	1.8
153.62653	0.4
158.09663	2.5
163.03935	1.6
170.09648	100.0
171.10428	30.5
187.12256	0.7
194.03288	0.5
201.13831	4.7
202.14658	38.2
203.14870	0.4
225.06693	0.5
238.98000	0.3
253.06015	0.5
301.19110	74.6
324.80722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22410	0.4
53.80219	0.5
55.20930	0.4
55.26522	0.4
56.71141	0.3
58.06610	0.5
63.56215	0.4
70.33338	0.4
71.19756	0.4
81.89550	0.4
92.17883	0.6
144.08090	26.4
145.08887	1.8
156.97577	0.4
158.09621	0.8
170.09644	100.0
171.10425	33.4
175.68774	0.5
200.14290	0.4
201.13872	4.1
202.14650	42.8
222.35582	0.6
238.14323	0.5
301.19107	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1912
Annotation	Trichostatin RK
Peak:m/z	Relative Intensity
50.08356	0.2
50.80706	0.2
51.20633	0.2
58.06590	1.2
61.17890	0.3
65.35808	0.3
71.40952	0.2
80.67623	0.2
87.10094	0.2
97.06325	0.2
144.08093	25.0
145.08875	1.2
158.09666	1.5
158.66498	0.3
159.10439	0.5
170.09645	100.0
171.10426	27.0
181.37471	0.2
187.12300	0.9
192.10483	0.2
201.13882	4.9
202.14655	34.0
211.48102	0.2
297.63266	0.3
301.19110	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	301.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60242	0.2
64.85067	0.2
68.34575	0.2
81.07079	0.3
86.09698	0.4
105.07029	0.3
120.08092	1.2
132.08087	1.2
134.09601	0.3
138.75508	0.3
144.08081	17.7
146.09615	0.5
157.08853	5.4
158.09637	5.1
160.11218	2.7
170.09654	3.5
172.11205	6.3
182.09666	1.2
187.08679	2.1
187.12340	1.5
189.13814	2.0
196.11211	1.0
199.12347	1.4
201.10194	1.4
202.11009	1.6
212.14378	0.4
213.10239	1.0
215.11815	6.3
216.12617	2.0
217.13356	29.9
227.11809	1.8
238.15912	3.3
255.18472	0.6
273.19592	1.5
283.17987	1.6
301.19107	100.0
322.62469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	0.8
59.10052	0.3
83.46521	0.3
94.17942	0.3
105.80780	0.3
107.48305	0.4
144.08095	26.6
145.08855	1.7
158.09674	1.5
170.09647	100.0
171.10428	28.4
201.13887	4.2
202.14655	35.0
299.03656	0.4
301.19116	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41798	0.4
58.06595	0.6
65.94205	0.3
85.65114	0.4
97.09437	0.3
129.52118	0.3
137.12541	0.4
140.61946	0.4
144.08096	27.0
145.08864	1.6
158.09691	0.7
170.09648	100.0
171.10425	26.8
187.12325	0.7
201.13872	4.8
202.14664	34.1
220.83888	0.4
299.52747	0.3
301.19116	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1914
Annotation	Odorine
Peak:m/z	Relative Intensity
58.42910	0.3
59.94540	0.3
63.62661	0.3
69.07073	0.4
70.06609	0.3
77.66459	0.3
80.68738	0.3
89.64913	0.3
101.27790	0.3
107.08553	0.4
108.61134	0.3
116.07048	0.5
120.08087	0.5
132.08067	0.7
134.09689	0.4
144.08086	18.9
146.09691	0.5
157.08868	6.3
158.09659	5.4
160.11171	3.2
170.09647	3.6
172.11227	5.9
182.09685	1.5
187.08635	2.9
187.12305	1.8
189.13879	2.2
199.12314	1.9
201.10262	1.3
202.11018	1.9
210.12836	0.4
215.11809	6.9
216.12566	2.1
217.13368	31.1
227.11780	1.8
238.15932	2.2
255.18512	1.6
273.19650	2.0
283.18094	1.4
286.16742	0.4
296.36130	0.4
301.19116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17528	0.4
58.06612	0.8
86.89839	0.4
88.44686	0.3
91.32899	0.3
113.70141	0.4
144.08090	26.5
145.08873	1.8
158.09641	0.9
159.10448	0.4
170.09647	100.0
171.10420	27.1
182.88560	0.4
187.12294	0.4
201.13892	3.8
202.14661	36.8
253.14380	0.4
277.07004	0.3
278.95544	0.4
282.56976	0.3
301.19113	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85628	0.4
55.47760	0.4
56.47506	0.4
58.06607	6.8
60.48883	0.5
63.00715	3.4
70.06574	1.3
72.08156	0.8
72.94754	0.5
73.84433	0.4
77.02266	1.1
81.07059	0.5
84.08127	1.1
97.02879	1.1
105.03376	2.0
105.07005	0.8
116.07048	0.7
116.74412	0.5
120.08067	2.5
121.02862	0.6
132.08098	9.1
136.06187	60.2
137.05669	4.2
137.06635	40.9
139.03900	1.1
144.08081	19.7
146.09644	0.6
158.09659	15.3
160.07555	8.0
160.11165	0.7
170.09631	11.9
171.10388	3.5
174.09142	4.7
184.09015	2.4
186.09062	2.5
187.09828	0.5
198.09076	1.2
198.12790	8.4
199.12135	0.5
201.10187	0.7
202.10994	2.6
202.14589	3.2
215.11720	3.8
216.12338	7.3
216.13832	12.4
217.13342	15.9
218.14215	0.7
218.97310	1.2
228.13762	1.3
236.98495	1.0
240.13863	2.7
245.18784	0.8
258.14816	2.9
259.97540	0.6
283.17795	0.9
301.09668	8.7
301.15448	10.1
301.19037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1804
Annotation	Gymnasterkoreayne D
Peak:m/z	Relative Intensity
51.37356	1.1
54.21038	1.3
55.05518	2.9
61.36779	1.2
64.48836	1.4
67.05495	5.6
69.07066	2.8
79.05487	2.4
81.07050	13.7
82.96895	1.3
83.04998	1.7
83.08620	3.6
85.06536	3.1
91.05479	2.3
92.17916	2.3
93.07031	8.0
95.08607	20.8
98.43941	1.3
103.76228	1.3
105.07030	6.5
107.08607	7.9
108.81842	1.6
109.10176	14.8
111.08081	3.5
117.06918	1.3
119.08568	6.8
121.06544	5.5
121.10142	8.9
123.11706	3.0
131.08566	6.8
133.06491	3.1
133.10056	6.1
135.08052	2.1
139.07596	1.5
140.08783	1.5
143.08655	2.7
144.08090	17.7
145.06487	7.2
145.10139	7.8
147.08058	10.4
147.11694	6.1
149.05981	3.1
149.09648	8.7
154.28008	1.5
157.06538	2.7
157.10138	6.4
158.09503	1.5
159.08043	9.1
159.11664	9.5
160.07632	11.1
161.09622	7.0
161.13321	2.7
163.07535	31.1
165.09145	8.4
170.09653	49.6
171.08066	6.8
171.10425	13.8
171.11681	3.3
173.09642	7.9
173.13297	2.6
175.07513	17.8
175.11188	12.1
183.08087	3.6
183.11740	2.3
185.09557	12.7
185.13290	2.8
186.09126	20.6
187.07596	1.8
187.09874	5.7
187.11223	6.3
187.14761	2.5
189.09113	16.0
189.12820	18.5
191.10641	2.7
195.11620	2.6
199.07510	3.3
199.11183	9.7
200.97832	1.5
201.09106	3.6
201.12675	5.8
202.14680	16.1
203.10573	4.7
205.12247	2.9
209.13258	1.6
211.14821	1.7
213.09143	7.3
213.12746	11.4
213.16306	1.9
215.10751	7.4
215.14262	23.7
218.14157	7.5
223.14896	1.8
227.10606	2.8
227.14308	7.6
231.13712	1.5
241.12213	8.1
241.15826	14.8
245.15491	2.1
255.17418	2.9
255.21065	3.5
259.13275	8.9
259.16849	1.8
265.19620	2.0
271.16959	3.2
283.16977	15.6
283.20587	25.7
286.04782	13.0
301.07092	27.7
301.10791	6.2
301.18335	100.0
301.21729	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	301.1799
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
55.05506	2.2
56.67242	0.9
57.03434	1.1
57.07059	0.9
67.05515	1.9
69.07048	4.1
72.08135	1.3
81.07042	6.0
83.08614	5.4
85.06543	1.1
93.07024	2.1
95.08604	14.3
99.08092	2.1
105.07039	1.6
107.08585	2.0
109.10155	8.4
111.08081	31.0
114.10288	1.3
121.10125	1.7
131.04979	1.0
133.10091	1.5
134.47157	1.1
135.11615	1.2
142.03941	1.0
144.08061	7.1
145.06392	1.2
145.10095	4.0
147.08026	6.8
147.11658	1.4
149.05946	5.0
157.06483	2.1
157.10086	1.2
159.08023	4.5
160.07524	4.8
161.09608	4.2
163.03859	1.3
163.07623	1.2
166.90369	1.1
169.09966	1.2
170.09639	26.2
171.08061	8.0
171.10400	5.7
173.09619	14.4
173.13150	1.5
175.07549	28.3
175.11090	3.9
183.08006	1.2
185.09534	9.6
186.09113	12.7
187.07507	8.1
187.11197	1.6
189.09109	40.6
189.12659	5.2
191.10629	6.9
195.08046	1.4
197.09663	8.4
199.07506	9.4
199.11125	5.4
201.09137	15.1
202.14699	11.7
203.10713	11.8
213.07170	1.6
213.09116	34.2
213.12462	3.6
215.10664	99.9
215.14146	4.6
217.12239	5.8
218.14120	4.6
219.10088	1.8
224.19984	1.4
225.12704	1.2
225.16341	1.6
227.10683	41.6
229.12178	6.6
231.13841	2.1
237.59299	1.3
239.14185	5.0
240.14931	1.8
241.12256	14.2
241.15836	17.1
265.15997	1.2
283.16934	76.0
283.20407	7.2
301.18103	100.0
301.21738	8.8
301.25623	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	301.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73172	0.3
52.27060	0.3
55.48967	0.3
65.71665	0.3
66.14188	0.3
69.03434	0.5
69.26466	0.3
70.06586	1.5
72.08144	0.6
79.05465	0.3
83.05014	0.4
84.08121	1.7
85.89549	0.4
86.09707	0.4
89.06038	8.0
90.06377	3.0
95.04964	0.6
96.08121	1.4
98.06040	0.4
105.07043	0.5
107.05009	0.3
109.06512	0.4
110.06030	1.3
117.07401	0.3
120.08104	0.8
124.07619	2.8
130.06619	0.5
131.07301	4.9
132.08156	1.1
133.06476	1.6
133.08601	2.0
133.10219	0.3
134.08914	1.4
137.05966	0.8
139.03937	0.4
142.08620	0.6
144.08092	19.2
158.09659	5.0
159.09180	1.7
160.07568	13.2
169.08667	0.3
170.09660	3.1
171.10484	0.5
172.07603	1.4
173.08336	0.5
173.10782	1.5
174.09198	0.5
183.09140	1.4
184.07639	0.6
184.11337	1.2
186.09128	0.6
187.08655	2.8
187.10097	0.3
187.41721	0.3
196.07594	0.8
198.09187	1.4
199.08707	0.7
200.09460	1.9
201.10249	7.7
202.11005	15.7
202.14735	0.4
210.09192	0.4
212.10663	2.4
215.11771	0.6
216.10596	0.5
216.12622	1.8
224.10704	0.7
226.12231	3.2
230.11755	6.5
238.12306	0.4
239.09503	0.4
240.10089	0.6
242.11819	0.5
254.11800	2.8
255.01813	0.4
255.15016	1.5
256.13467	0.4
258.11255	6.1
260.04568	0.6
265.13425	1.6
272.10178	0.5
272.12674	2.9
283.14502	3.7
284.17871	7.8
286.13239	0.4
301.15491	100.0
301.18860	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	301.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49177	0.3
55.05525	0.8
58.06598	0.5
61.96109	0.3
66.02853	0.3
69.03410	0.3
69.07097	0.4
69.31030	0.3
70.06599	1.7
70.63737	0.3
72.08161	6.7
73.08475	0.3
83.04974	0.8
84.04501	0.3
84.08141	0.6
86.09716	1.8
88.16346	0.3
95.04944	0.3
96.08134	0.6
98.06062	0.5
104.80235	0.3
109.06442	0.3
110.06086	0.6
114.09182	1.6
115.08680	0.5
116.07113	0.7
120.08119	0.6
121.08931	0.5
124.07613	2.6
131.07341	3.4
132.08130	2.1
142.08646	0.7
143.07379	0.4
144.08107	17.0
146.09422	0.4
148.07593	0.6
158.09662	5.2
159.09160	1.3
160.07590	11.9
161.43199	0.4
166.90817	0.3
170.09648	4.9
171.10417	1.7
172.07590	0.7
173.08324	0.4
173.10722	0.9
174.09166	1.6
183.09209	0.6
184.07634	0.5
184.11237	0.8
186.09187	2.0
187.08615	2.5
196.07613	0.7
197.08214	0.4
198.09174	2.1
198.12659	1.1
200.09454	1.3
201.10228	7.6
202.11028	12.3
202.12862	0.6
202.14691	2.3
212.10713	1.6
215.11836	1.5
216.12349	3.1
217.13486	1.5
224.10747	0.5
226.12300	2.5
230.11708	5.3
238.12247	0.5
240.13921	0.6
242.11690	0.5
243.11227	1.4
254.11751	1.7
255.14989	0.8
258.11227	4.2
265.13342	0.6
272.12927	1.8
283.14465	2.9
285.14029	0.8
286.13147	6.4
301.15509	100.0
301.19135	22.0
301.25104	2.8
309.04037	0.4
310.20248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75904	0.7
55.05521	1.5
55.86953	0.7
59.01193	0.6
62.10236	0.7
70.06605	11.6
72.08162	95.7
83.10732	0.8
84.07679	1.4
84.08149	30.3
86.09692	1.0
89.10791	3.4
90.50053	0.6
91.05470	0.8
98.06062	7.7
102.25065	0.6
115.08707	1.7
123.04485	0.8
125.01523	1.7
130.04967	0.9
135.04420	0.7
137.05980	9.8
145.02870	1.1
149.05980	32.8
151.07556	15.8
153.01038	2.7
163.03926	5.7
166.08670	4.6
170.09613	1.3
174.31129	0.8
176.19899	1.0
177.05469	56.5
178.08707	6.6
185.01991	1.7
185.03647	46.5
192.56706	0.9
195.08116	0.9
202.14456	0.8
205.11015	1.5
206.08244	0.9
220.13329	100.0
236.12897	4.5
237.14107	0.8
237.15967	56.0
248.12837	10.4
265.15469	36.1
284.10471	21.7
301.13168	82.9
301.18927	3.3
310.55600	0.8
322.49921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75904	0.7
55.05521	1.5
55.86953	0.7
59.01193	0.6
62.10236	0.7
70.06605	11.6
72.08162	95.7
83.10732	0.8
84.07679	1.4
84.08149	30.3
86.09692	1.0
89.10791	3.4
90.50053	0.6
91.05470	0.8
98.06062	7.7
102.25065	0.6
115.08707	1.7
123.04485	0.8
125.01523	1.7
130.04967	0.9
135.04420	0.7
137.05980	9.8
145.02870	1.1
149.05980	32.8
151.07556	15.8
153.01038	2.7
163.03926	5.7
166.08670	4.6
170.09613	1.3
174.31129	0.8
176.19899	1.0
177.05469	56.5
178.08707	6.6
185.01991	1.7
185.03647	46.5
192.56706	0.9
195.08116	0.9
202.14456	0.8
205.11015	1.5
206.08244	0.9
220.13329	100.0
236.12897	4.5
237.14107	0.8
237.15967	56.0
248.12837	10.4
265.15469	36.1
284.10471	21.7
301.13168	82.9
301.18927	3.3
310.55600	0.8
322.49921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23905	0.5
57.07089	5.1
57.50777	0.6
66.47957	0.6
70.06590	1.2
71.08614	3.5
71.83824	0.6
80.75542	0.5
85.10168	0.9
88.07640	0.6
89.43948	0.5
92.62002	0.6
100.07599	1.2
114.09187	8.4
132.10202	25.8
164.63965	0.6
199.78062	0.7
256.26382	0.6
300.28983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
54.32624	0.3
55.05518	0.3
56.21035	0.3
57.03447	0.3
57.92653	0.3
61.02927	0.8
63.26444	0.3
69.03432	2.1
70.06591	2.3
72.08154	1.5
77.38747	0.4
81.03408	0.8
81.50301	0.3
84.08132	0.7
85.02904	5.8
87.04492	0.8
89.51192	0.3
90.72118	0.4
93.04521	0.8
93.37852	0.4
97.02909	1.4
109.02982	0.4
111.16846	0.4
114.17683	0.4
116.07088	0.7
121.03992	100.0
127.03967	0.6
129.13889	0.4
139.05034	86.3
141.06473	0.5
145.05022	0.4
152.05717	0.6
158.09645	0.5
159.92239	0.4
169.06006	0.5
182.08112	0.4
191.39407	0.4
193.03259	2.1
194.03517	3.7
218.14162	0.8
256.80594	0.4
257.20193	0.5
266.91763	0.5
283.08560	0.6
283.13116	0.4
301.10358	19.4
301.13962	0.9
301.19147	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	300.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58027	0.4
55.60007	0.5
58.06583	0.7
72.08125	0.6
78.44476	0.5
86.94254	0.5
90.51259	0.4
93.35629	0.4
100.37273	0.6
100.92603	0.5
101.05449	0.5
107.04942	0.9
144.08092	26.6
145.08807	0.9
158.09680	0.7
170.09644	100.0
171.10422	34.3
201.13889	4.5
202.14647	43.9
203.35574	0.6
300.20700	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2899
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
57.07082	4.6
65.75857	0.4
67.05493	0.4
70.06580	1.9
71.08618	2.9
81.07046	0.6
84.37796	0.4
85.10190	0.9
88.07636	1.6
89.13610	0.4
92.18413	0.6
100.07585	0.7
114.09169	8.6
130.08659	0.6
132.10213	25.5
206.14064	0.5
256.26471	0.6
300.28986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1805
Annotation	Isolycopsamine
Peak:m/z	Relative Intensity
53.94467	0.3
70.06582	0.6
73.06552	0.5
80.05022	0.5
82.06578	2.5
94.06570	17.3
95.07356	1.9
96.08136	7.1
100.88171	0.3
108.08143	0.5
109.06544	0.3
110.06067	0.6
120.08105	12.9
121.08804	0.3
138.09148	76.0
139.09918	8.8
139.10883	0.5
147.75284	0.3
156.10201	31.7
166.29494	0.3
201.20340	0.4
210.14955	1.0
229.15660	0.3
256.15509	1.3
282.16910	0.5
300.18054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12757	0.1
55.01859	0.2
70.02959	0.2
70.06586	1.8
72.08136	0.9
74.00674	0.3
79.05481	0.1
84.04455	0.2
84.08141	0.3
85.02872	0.2
85.06540	0.3
86.99056	0.2
88.03995	2.6
91.05466	0.2
92.18081	0.2
92.20332	0.2
116.07073	0.6
120.01151	0.2
120.08084	0.2
121.01736	0.2
121.06474	0.7
131.04938	1.0
133.01050	0.3
136.06181	0.8
137.05977	6.2
138.05495	0.3
146.03632	0.3
146.05972	2.0
147.02652	0.2
147.04381	0.4
149.00566	9.5
150.01320	0.3
151.02139	0.8
151.03909	0.5
151.07559	0.3
152.05678	3.9
157.09731	0.7
161.00542	2.4
161.05963	2.3
162.05487	0.7
162.06741	0.7
163.02158	1.2
163.07567	0.3
166.05054	0.3
166.08629	0.2
167.97420	0.2
168.05170	1.5
177.07848	4.6
178.00841	3.2
178.08580	0.2
179.01752	0.3
179.03389	1.2
181.03181	4.6
182.05830	0.2
183.04715	0.2
185.09225	0.6
187.02187	0.3
193.03188	100.0
202.08647	0.3
204.04785	0.3
217.01888	0.2
219.04581	0.2
224.07425	0.2
231.65735	0.1
236.07254	0.3
247.04308	0.2
250.05351	1.1
253.05348	0.2
259.04214	0.6
265.05243	0.2
270.07977	1.7
271.73352	0.1
282.07935	11.0
300.08920	2.4
300.14444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2582
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
54.26670	5.8
55.05504	11.3
57.07085	64.9
67.05495	29.8
69.07057	38.6
71.08635	100.0
81.07050	70.2
83.08618	45.1
85.10194	23.9
92.18410	9.1
93.07067	14.5
95.08597	44.3
97.10147	25.5
98.50456	6.4
99.08113	7.4
104.10728	6.0
104.61287	6.1
109.10158	26.4
109.63775	6.9
118.81985	6.1
119.08562	9.2
121.10132	8.5
123.11709	25.5
141.12759	12.2
155.14346	8.0
193.15605	6.8
200.13069	7.8
245.22543	12.3
263.23578	25.7
281.24701	8.0
299.25787	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2582
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
54.51468	2.1
55.05524	50.6
57.03438	3.8
57.06830	3.8
57.07089	69.7
67.05513	50.0
69.07078	100.0
71.08638	76.9
79.05495	11.5
81.07066	98.5
83.04987	2.9
83.08628	90.9
83.77897	2.1
85.06552	5.3
85.10184	31.2
86.64131	2.0
86.79801	1.9
87.04482	2.3
90.42971	2.1
91.05494	18.3
93.07056	25.6
95.08614	93.8
97.06538	10.1
97.10172	94.8
99.08119	3.7
105.07035	13.2
107.08610	29.0
109.10170	57.0
111.08131	4.0
111.11736	32.4
119.08580	24.2
121.10136	26.0
123.08094	3.7
123.11708	32.1
125.09631	4.2
125.13262	17.2
133.10138	30.0
135.11710	15.7
137.09634	10.5
137.13266	15.7
141.12767	15.9
145.02725	2.4
147.11670	28.6
149.13272	13.3
151.11189	10.0
151.14848	4.6
153.12762	2.8
155.10687	2.6
155.14305	16.2
161.13249	17.4
163.14825	9.4
165.12759	13.4
165.16412	8.2
175.14864	19.1
177.16414	2.4
179.14294	13.6
179.17929	5.3
181.15945	4.1
183.17415	2.4
185.15382	2.8
189.16437	11.7
193.15891	8.2
197.15318	2.8
200.05966	2.1
203.17960	2.9
207.17516	5.4
211.16959	2.4
221.22719	4.8
233.89919	3.8
245.22652	44.3
252.89471	10.6
253.25256	4.8
258.27902	23.2
263.23718	66.5
265.99796	2.2
275.91089	2.4
281.24686	13.3
281.27222	4.1
299.17108	3.1
299.20193	9.2
299.25381	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.7
56.50605	0.4
58.06610	0.4
60.05664	4.8
67.05513	0.5
69.03407	0.5
69.23383	0.4
70.06601	9.3
72.05653	12.1
72.08163	51.8
79.05480	0.8
81.07056	2.0
84.04485	0.5
84.08151	25.2
86.09707	0.5
86.34338	0.4
87.07901	0.4
91.05447	0.6
93.07043	2.7
94.06571	0.7
95.08601	0.6
98.06051	1.7
101.10773	1.1
105.07027	1.7
107.04967	3.2
107.08585	2.2
109.10149	0.9
110.07174	0.7
112.08735	1.8
114.09199	2.0
114.10290	2.6
115.08653	0.7
123.04395	0.5
125.09626	0.6
126.10246	0.5
127.08680	2.6
133.06514	0.5
133.10139	2.9
150.12817	3.7
151.11150	0.5
165.05502	0.5
180.14944	0.8
192.14955	0.9
193.13271	0.7
210.15987	4.7
215.22406	0.5
222.18497	1.9
228.17079	20.2
240.19518	0.6
257.22229	0.9
264.20724	0.8
265.16965	0.5
282.13199	0.6
282.21805	3.1
299.24429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74704	0.4
53.89163	0.4
54.77929	0.4
55.05524	1.0
56.55321	0.4
60.05366	0.9
60.05661	24.0
67.05505	3.0
69.07065	0.8
70.06594	0.7
72.08165	41.2
79.05462	0.5
81.07079	7.8
84.08130	0.6
89.10778	0.5
91.05467	3.1
93.07049	6.8
97.07647	2.8
105.07063	3.5
107.08616	0.8
109.10194	0.6
110.64131	0.4
114.10296	18.7
122.38610	0.4
127.08683	2.0
131.12932	18.9
133.10121	1.7
136.91989	0.5
150.12753	0.7
210.16002	0.9
228.17079	12.6
240.19647	0.8
257.22269	0.8
282.21671	1.0
294.09433	0.5
299.24432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.0
59.04994	1.3
60.05656	22.7
63.38542	0.2
67.05498	1.8
69.07043	0.3
70.06589	0.9
71.04982	0.5
71.18112	0.2
72.08159	36.1
73.06553	0.9
78.13678	0.2
79.05493	2.4
79.40480	0.2
81.07067	6.0
81.32672	0.2
83.04607	0.2
83.04988	3.5
84.08138	2.3
89.10780	1.2
91.04929	0.4
91.05479	8.1
93.07049	5.9
95.04946	0.4
95.08614	1.6
97.07664	3.2
98.06036	1.2
101.06026	2.4
102.19353	0.2
105.07041	14.7
107.08603	3.0
109.06504	0.3
109.10137	1.4
110.07142	0.5
111.08061	1.5
114.10290	23.0
115.08703	1.6
121.10132	0.9
123.08032	0.5
123.11691	1.1
131.08516	0.5
131.12929	27.0
133.10121	3.6
137.02380	0.3
137.04578	2.0
137.78214	0.2
140.02394	0.2
150.09111	0.3
151.11131	0.3
167.16541	0.2
168.10263	0.3
169.08630	0.4
170.12535	0.2
192.14984	0.3
210.12334	1.2
210.15863	0.4
228.13480	3.2
228.17027	2.9
257.22195	0.3
267.13358	1.4
281.19748	3.0
281.23178	0.9
282.18079	0.3
299.20905	10.0
299.24380	100.0
324.04388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44561	0.4
55.05512	6.2
59.04984	1.0
60.05362	0.9
60.05655	22.2
66.40248	0.4
67.05493	2.6
69.07056	2.6
70.06578	1.1
72.08157	43.2
79.05488	0.6
80.05023	0.6
81.07041	4.8
83.04990	5.6
84.05621	0.6
84.08138	2.6
85.06539	10.6
87.04467	9.9
88.04789	3.0
89.10757	1.8
91.05471	2.8
93.07021	3.5
97.07643	3.0
101.06031	4.7
105.07011	2.7
107.08570	0.9
109.10147	0.8
112.08688	0.5
114.10292	22.4
125.06053	0.5
126.06406	0.7
127.08701	3.8
127.09506	0.5
131.12930	16.3
133.10133	2.4
136.06177	1.0
150.12759	1.0
153.05472	2.3
154.05798	2.8
169.23213	0.6
175.56447	0.5
183.82956	0.6
192.14925	3.1
199.19072	0.5
210.16017	6.4
222.18544	0.7
228.17039	4.1
264.20697	2.7
281.20096	1.8
281.23334	6.1
282.21677	1.0
299.17130	6.9
299.24393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2219
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
54.65394	2.1
55.01880	2.4
55.05525	16.5
55.53287	1.9
57.03439	5.3
57.07063	3.6
59.74086	1.9
60.67258	1.9
67.05236	2.0
67.05513	37.6
67.34142	2.0
69.07076	26.6
71.05003	19.2
71.08638	60.1
79.05500	19.4
81.07066	40.6
83.04979	8.4
83.08623	63.6
85.06535	5.0
85.10182	2.8
91.05470	12.7
93.07054	30.7
95.04952	5.1
95.08611	21.9
97.06524	10.7
99.08111	52.5
101.72198	2.0
105.07047	14.7
107.08598	14.1
109.10163	42.4
111.08093	19.5
119.08566	12.8
121.10152	56.4
123.08048	3.0
123.11738	7.8
127.11217	27.6
131.08525	3.4
133.10126	23.8
135.11671	13.9
139.07532	4.1
139.11208	5.2
141.12758	95.5
147.11691	19.3
149.09648	18.9
149.53925	2.3
151.11226	8.4
153.12791	2.3
157.08618	10.5
161.13228	4.8
165.12766	11.2
169.12209	12.1
175.09642	19.7
175.11081	4.7
179.14455	3.7
180.31369	2.0
189.12715	2.2
217.19513	28.4
227.17955	3.4
235.20561	23.2
239.14384	4.0
245.18994	9.8
250.36098	2.2
257.15503	4.1
263.20065	87.5
281.21152	100.0
284.06818	8.4
299.09036	8.2
299.22449	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56867	1.5
55.01887	2.9
55.05515	12.4
57.03441	9.7
57.07067	9.7
59.05019	2.2
60.49318	1.6
65.08459	1.8
66.32811	2.0
67.05177	2.8
67.05515	51.6
69.07072	16.1
71.05001	38.7
71.08639	69.6
79.05501	28.9
81.03411	2.0
81.07067	67.2
83.04990	3.9
83.08618	27.4
85.06548	9.5
85.10172	2.6
90.55131	1.7
91.05481	25.4
92.17847	2.4
93.07045	35.8
95.04973	9.3
95.08617	30.3
96.74156	1.8
97.06537	13.2
99.04436	3.0
99.08100	64.8
105.07040	25.8
107.08613	16.8
109.06523	8.3
109.10167	33.5
111.08105	11.7
113.09618	2.9
117.07059	3.2
119.08589	31.6
121.10155	42.3
123.08102	3.0
123.11697	10.6
125.06008	2.6
127.11198	19.7
129.07030	2.8
131.08557	7.0
133.10124	25.2
135.11659	15.0
137.13242	2.6
139.11154	2.4
141.12756	79.9
147.11691	39.0
149.09610	25.5
151.11203	7.2
155.10658	2.7
157.08681	3.9
157.10121	3.5
161.13258	4.1
165.12721	15.7
169.12224	12.1
175.09744	6.0
175.11148	4.4
179.14342	3.7
189.12762	3.6
197.09647	2.4
197.15326	3.0
217.19531	29.9
225.14894	8.4
235.20554	24.7
239.14301	9.5
245.19089	2.7
257.15585	2.1
263.17432	3.6
263.20071	67.6
273.19757	1.9
281.21155	100.0
299.18405	51.4
299.22449	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	299.2217
Annotation	[1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol 1-acetate
Peak:m/z	Relative Intensity
51.95296	1.3
55.01880	6.0
55.05521	47.9
57.03436	8.6
59.04971	2.4
65.32374	1.1
67.05513	24.5
69.03418	7.1
69.07071	23.9
70.26268	1.3
71.04971	5.0
73.10713	1.4
79.05070	1.8
79.05498	37.0
81.03416	20.2
81.07059	54.4
83.04982	10.0
83.08623	29.3
85.02897	9.3
85.06519	2.1
91.05473	7.4
93.07044	16.5
95.04951	6.1
95.08607	29.5
97.06552	11.7
97.07085	1.3
97.10168	47.6
98.64983	1.4
99.04411	2.3
99.08092	8.1
105.07028	15.2
107.04986	2.5
107.08598	35.1
109.06513	2.3
109.10162	7.3
111.04448	7.5
111.08073	5.7
113.05949	1.5
119.08596	12.8
121.10132	21.8
123.08062	45.4
123.11695	2.0
125.09633	31.8
129.06969	2.1
131.08569	7.5
133.10115	2.5
135.11693	7.6
137.09631	10.2
139.07289	5.4
139.11209	16.3
143.08691	1.3
143.10667	5.2
145.10136	6.0
147.11685	13.7
149.09599	5.0
149.13245	2.2
153.12718	7.2
159.08040	17.0
161.09651	2.3
163.11198	3.3
165.09143	3.1
165.12755	7.8
170.14650	1.5
175.11150	3.0
181.12157	2.0
183.13681	4.1
189.12729	1.4
193.12259	5.5
201.12666	1.6
209.15350	14.0
213.12834	1.7
225.12695	2.5
228.20827	1.4
235.20587	2.2
239.14299	5.3
241.05165	1.2
245.19029	5.4
263.20035	35.8
281.21161	100.0
299.08951	2.5
299.19983	10.0
299.22397	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	299.2218
Annotation	secoaggregatalactone A
Peak:m/z	Relative Intensity
55.01874	6.6
55.05520	16.0
57.03453	9.0
57.07081	6.0
58.82484	1.1
67.05515	26.1
69.07075	14.9
71.08604	1.4
72.08123	1.4
79.05497	1.9
81.03416	1.3
81.07067	40.0
83.08635	13.3
85.06586	1.2
93.07034	2.6
95.08611	39.2
97.10175	8.3
98.18491	1.1
107.08617	2.8
109.10165	25.7
119.08595	2.5
121.10063	1.3
123.11719	8.0
129.05478	1.9
145.10164	1.3
179.18056	1.7
214.74126	1.2
299.22247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2218
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
55.01875	4.6
55.05509	24.7
57.03444	7.5
57.07077	23.5
61.44305	4.8
66.68501	5.0
67.05531	42.8
67.09090	5.4
67.96650	5.4
69.07062	9.7
71.18453	4.8
75.35674	4.8
81.07070	64.7
83.08624	14.0
84.58955	6.9
87.37286	5.0
91.05447	5.0
95.08616	65.3
97.10165	10.3
109.10152	36.6
123.11730	7.9
245.07787	6.3
252.89349	19.6
268.76831	6.0
299.22522	100.0
307.23788	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	299.2121
Annotation	Aspidosine
Peak:m/z	Relative Intensity
55.05512	0.6
61.31495	0.2
67.05505	0.6
68.79506	0.3
69.07063	2.4
79.05511	0.3
79.39622	0.3
79.68354	0.3
81.07050	1.7
82.95574	0.3
83.08630	0.5
85.06525	1.7
86.06053	0.5
92.18457	0.6
93.07021	0.7
95.08601	1.9
95.60497	0.3
97.06529	0.4
97.10157	0.6
105.07005	0.5
107.08571	0.7
108.19353	0.3
109.10171	0.7
111.11691	0.3
118.06551	0.3
119.08599	1.1
121.10129	1.6
130.06549	0.3
131.07292	0.5
135.11710	0.3
144.08081	9.7
145.08887	4.1
145.09982	0.6
147.11655	0.5
149.13304	0.6
157.08881	2.2
157.10132	1.6
158.09644	6.3
159.10376	0.7
169.08795	1.4
170.09654	1.7
171.10393	3.1
185.10776	3.5
186.09132	0.4
196.30569	0.3
197.13268	0.3
199.12164	10.8
199.13643	2.1
200.13094	11.5
200.98627	0.3
202.11070	2.7
214.11096	0.4
215.11827	4.1
228.17477	1.3
229.13330	1.3
230.14145	28.9
231.14938	2.0
234.99062	2.0
243.14900	1.0
258.00571	1.2
263.20029	0.4
281.19003	0.4
299.21176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2119
Annotation	Aspidosine
Peak:m/z	Relative Intensity
58.06586	0.3
69.07084	2.3
74.23729	0.3
77.86365	0.3
80.24230	0.3
81.07038	0.6
86.06071	0.5
90.25860	0.3
91.05480	0.4
93.07049	0.6
95.08593	0.4
97.10197	0.3
107.08611	0.5
119.08585	0.5
121.06469	0.4
129.06932	0.3
131.07291	0.4
134.09616	0.5
144.08076	7.8
145.08890	3.6
145.09889	0.5
146.09613	1.3
157.08897	2.3
157.10033	0.5
158.09654	6.4
159.10423	0.7
169.08864	0.7
170.09599	1.9
171.10419	2.0
174.09131	1.5
178.08633	2.1
185.10751	3.5
186.09125	0.4
186.11415	0.5
197.10800	0.4
199.12178	10.0
199.13629	1.5
200.13097	11.6
202.10991	1.8
214.11174	0.4
215.11737	4.7
226.15805	0.4
228.17456	1.4
229.13341	1.5
230.14143	26.5
231.14922	3.3
243.14841	1.3
298.90646	0.4
299.17581	11.3
299.21140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50936	0.3
54.06639	0.3
54.61807	0.3
55.01861	0.3
55.05518	2.4
57.05058	0.3
57.19140	0.3
59.05006	1.7
60.05656	30.1
65.33015	0.3
67.05511	2.3
69.07076	0.4
70.06593	3.2
71.05004	0.8
72.05638	0.6
72.08159	65.3
72.43011	0.3
72.44905	0.3
79.05505	2.2
81.07062	6.7
83.05005	1.8
84.05642	1.5
84.08147	10.3
86.09710	0.4
89.10818	0.7
91.05486	7.9
93.07043	6.7
95.04989	0.6
95.08617	3.4
96.05603	0.7
97.07667	3.0
98.06055	1.2
101.05988	0.3
101.10827	0.4
105.07039	14.1
105.51640	0.4
107.08596	3.7
109.06526	1.3
109.10178	2.1
110.07174	0.4
111.08081	6.7
114.10290	27.5
115.08734	1.4
122.09626	0.3
123.08102	1.9
123.11707	2.9
131.08589	0.5
131.12927	38.0
133.10130	3.5
136.06239	1.3
137.02396	1.5
137.04590	11.2
138.98430	0.4
139.07521	0.4
150.09149	1.9
151.07584	1.3
151.11240	0.8
152.05679	3.7
152.06839	0.4
153.06148	2.6
154.09761	0.6
164.11819	0.5
165.10280	1.5
168.10246	2.2
169.08609	3.1
192.11423	2.0
193.09709	0.6
194.08432	0.4
207.08513	0.4
210.12396	10.3
210.14233	0.5
211.10823	1.3
228.11157	0.8
228.13435	23.9
228.16855	4.3
240.16026	0.6
264.17270	1.3
281.11557	0.7
281.15216	0.7
281.19714	21.2
282.18323	3.5
282.21820	0.7
299.13818	1.8
299.20908	71.6
299.24557	100.0
313.69803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Totarolenone
Peak:m/z	Relative Intensity
55.05526	31.5
55.92136	1.0
57.52306	1.0
62.38781	1.0
62.97895	1.1
71.24634	1.2
74.96678	1.1
81.07076	1.8
83.04989	100.0
109.90098	1.1
111.08128	1.8
133.06461	5.3
147.08011	2.1
149.09624	5.5
153.09137	1.3
159.08049	42.5
163.11197	1.9
175.11159	15.1
189.12782	5.0
201.12749	28.7
213.12790	2.3
227.14305	6.0
239.14308	2.1
256.14685	4.1
257.15359	4.6
281.18860	1.8
299.20081	49.3
299.31403	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	299.2008
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
51.03199	0.8
55.05505	0.9
56.96815	0.8
67.05503	1.8
68.26750	1.1
69.07054	2.1
71.04984	7.3
73.70190	1.0
79.05470	1.9
79.51450	1.0
81.07055	5.4
91.05470	2.1
93.07045	10.4
95.08624	13.1
105.07056	2.2
107.05032	1.1
107.08597	6.8
109.10162	2.1
111.08048	2.2
119.04850	1.1
128.07855	1.5
133.06517	8.8
143.99373	1.2
145.06503	4.6
145.10172	1.8
147.08054	19.5
149.09612	9.0
157.06517	2.4
159.08031	1.9
159.90190	1.1
170.31735	1.1
173.09579	1.5
175.11232	9.0
179.08548	1.3
183.08058	9.9
183.11731	1.0
187.11191	29.3
187.61952	1.2
189.12740	18.3
197.09628	30.9
199.11195	6.3
201.12708	1.7
210.10536	3.7
211.11232	14.3
213.12810	2.2
221.13239	4.6
223.11137	7.9
224.11880	7.3
229.15660	1.5
237.12611	1.5
238.13525	16.0
239.14305	100.0
253.15987	1.7
255.17427	4.2
257.13004	1.8
257.15408	27.2
263.20245	1.2
266.16772	2.0
281.18890	21.3
281.21228	1.2
299.16922	2.8
299.20071	82.1
300.71494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2009
Annotation	Microstegiol
Peak:m/z	Relative Intensity
63.73529	0.9
67.05509	1.7
69.07048	3.7
69.16481	0.8
71.05009	3.7
71.90016	0.8
79.05487	3.4
81.07079	7.1
83.08628	1.2
87.48592	0.8
91.05473	1.6
93.07064	9.7
95.08610	11.1
96.60208	0.8
105.07030	3.9
107.04959	1.5
107.08597	7.5
109.06506	1.3
109.10159	3.1
111.08088	3.5
119.08579	2.1
129.07077	0.9
131.08569	1.6
133.06516	8.2
137.05997	1.2
143.08582	0.9
145.06520	6.4
145.10150	1.9
147.08054	18.3
147.11592	0.9
149.06029	1.1
149.09608	7.0
155.08557	1.0
157.06479	1.7
157.10104	1.5
159.08046	1.9
159.11716	1.4
159.60704	0.9
161.09593	1.3
161.13225	3.6
171.08083	1.2
173.09637	3.4
175.11176	6.6
179.08588	1.0
183.08070	6.3
183.11835	1.0
185.09641	2.1
187.11183	22.4
189.12772	16.2
195.08118	1.1
197.09641	22.4
197.13252	1.8
199.11194	5.1
199.14821	1.4
201.09106	1.0
201.12802	1.2
206.10841	1.2
209.09726	1.1
210.10435	2.0
211.11179	12.0
213.12704	3.1
221.13187	4.1
221.15233	1.0
223.11157	8.9
224.11940	9.2
225.12733	1.4
229.15880	1.8
238.13535	14.5
239.14317	89.7
253.15833	1.1
253.19675	6.4
257.15405	23.6
266.16583	1.5
281.19037	31.0
299.11066	3.2
299.20093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2009
Annotation	Microstegiol
Peak:m/z	Relative Intensity
54.27726	1.0
55.05508	1.7
59.63327	0.8
65.34187	1.1
67.05506	2.0
69.07066	2.1
71.04990	6.9
79.05504	5.1
81.07069	5.1
91.05469	2.0
92.17771	3.2
93.07042	11.8
95.04966	1.6
95.08620	9.8
97.47667	1.1
103.86145	1.0
105.07016	1.6
107.04961	1.3
107.08612	8.6
111.08102	4.3
131.08543	1.4
133.06494	12.9
133.10143	1.4
145.06493	6.6
145.10158	1.7
147.08073	23.9
147.11711	2.2
149.09637	8.4
157.06519	1.3
159.08037	2.3
169.10202	1.2
171.07938	3.6
175.11185	9.9
179.08565	1.9
181.10173	1.7
183.08023	8.8
185.09662	2.1
187.11205	29.2
189.12758	16.6
195.07994	1.3
197.09636	27.7
199.11218	6.4
201.12787	1.3
210.10440	1.9
211.11217	18.1
213.12770	5.1
214.22296	1.3
221.13307	2.6
223.11288	8.4
224.12093	9.1
225.12946	1.9
237.12787	1.9
238.13527	15.2
239.14314	100.0
253.15921	2.4
257.15372	27.9
281.18979	27.1
295.61819	1.2
299.20123	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2009
Annotation	Microstegiol
Peak:m/z	Relative Intensity
52.68639	2.0
55.05503	2.8
67.05493	3.5
68.30307	1.9
69.07054	9.0
70.60590	1.9
71.08562	2.1
73.61734	2.0
81.07070	3.2
83.08639	3.4
92.08607	2.4
95.08600	2.7
97.06508	16.7
107.08609	2.3
109.10144	2.9
121.10078	2.9
122.70293	2.5
130.45990	2.1
133.06508	10.5
145.06517	3.9
149.09583	2.5
159.08038	13.1
161.09637	2.9
173.09602	4.0
175.11176	29.7
177.61839	2.6
185.09592	2.6
187.07529	33.5
187.11194	10.3
197.09619	5.2
201.09161	3.6
201.12743	31.8
211.11201	12.9
213.12798	11.1
215.10738	5.2
215.14304	2.7
229.12250	9.5
239.14273	9.2
252.89394	3.4
256.14526	2.9
257.15448	13.5
281.19052	10.6
299.17004	8.0
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	299.2009
Annotation	CHEBI:68869
Peak:m/z	Relative Intensity
52.44855	0.6
54.71564	0.8
55.05513	3.1
69.07060	1.8
69.80977	0.8
70.29984	0.7
81.07053	1.9
83.08616	1.7
95.08605	1.6
109.10138	3.7
123.11716	7.3
161.06026	8.9
165.00496	0.9
167.13522	0.8
180.83351	0.8
187.11198	1.8
188.02838	0.9
197.09644	1.3
199.11256	1.1
203.10722	3.6
211.11179	9.6
213.12753	1.4
216.28687	0.9
225.12704	1.2
229.08662	2.9
233.90097	1.8
239.14360	1.3
252.89413	4.2
271.20624	0.9
273.26895	0.9
275.91022	3.2
299.20065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Przewalskin D
Peak:m/z	Relative Intensity
50.89594	1.0
55.05512	7.6
57.07062	1.8
59.24733	1.0
59.92390	1.0
66.79366	0.8
67.05494	5.6
69.07044	6.9
71.23463	0.9
72.59008	1.0
73.70674	0.9
79.05483	2.6
81.07052	9.5
82.07397	1.0
83.08636	8.0
83.09046	1.1
91.05461	2.4
93.07022	6.2
95.08619	14.9
97.10155	5.2
105.07008	6.8
107.08582	6.0
109.10140	9.8
111.08094	1.5
112.86349	1.1
119.08573	2.5
121.10146	24.9
123.04436	1.6
123.11703	4.5
133.10085	1.2
135.11641	1.8
147.11671	7.0
149.05965	7.1
159.08057	1.1
161.05977	1.9
163.07526	4.6
165.09099	10.5
173.05956	2.1
175.07530	1.9
179.10649	4.2
187.07552	12.5
189.09117	4.9
191.10631	16.6
200.08315	1.9
201.09167	8.2
203.10648	11.1
205.12251	9.4
213.12788	1.6
215.10690	16.4
217.12189	15.5
227.10817	1.2
229.12206	17.8
230.12961	1.9
231.13617	1.6
239.14310	4.0
243.13780	13.8
252.89604	1.4
256.14600	6.5
257.15369	16.1
263.23859	1.2
266.05661	1.3
270.15976	1.3
271.16840	1.5
287.96036	1.2
299.09073	5.4
299.20050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	 (-)-Sonderianol
Peak:m/z	Relative Intensity
51.55462	3.3
52.18505	3.9
69.07069	7.2
79.51999	4.1
81.07062	4.7
92.87653	3.7
95.08606	30.3
97.10178	3.8
103.66815	4.9
111.08098	7.3
117.16753	4.2
123.14565	4.5
145.06480	8.6
157.06508	7.7
159.08000	5.3
183.08051	23.1
197.09641	20.8
199.11198	100.0
207.26598	4.8
213.12749	20.4
225.12938	5.7
227.14255	5.5
238.77216	4.3
239.14351	34.3
243.13835	8.2
252.89622	5.2
255.17474	19.1
256.14597	34.0
274.30002	4.8
275.91092	4.9
278.96487	4.8
281.19098	27.6
299.09024	4.6
299.17026	7.4
299.20001	55.3
299.22903	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	299.2005
Annotation	Totarolenone
Peak:m/z	Relative Intensity
53.68525	5.9
53.75029	5.3
55.05511	6.6
57.07081	7.5
69.07076	13.3
71.04971	8.7
81.07054	30.9
83.08629	13.2
91.20133	6.7
95.08618	27.9
97.06525	25.2
107.08574	13.3
109.10188	9.7
111.08092	33.8
119.08626	9.2
121.10111	9.9
131.00021	10.7
133.06467	8.6
138.72409	6.9
143.75021	6.4
145.06451	15.3
147.08087	6.5
159.08063	10.5
173.09564	6.1
175.11165	42.9
187.07594	38.7
187.11307	21.8
197.09625	8.8
199.11172	8.8
201.12724	100.0
201.40628	6.9
205.00179	7.8
213.12790	14.0
219.01767	7.9
229.03392	8.7
239.14401	7.8
240.23190	8.0
249.18597	9.1
281.18744	10.6
299.11572	33.4
299.19806	86.4
299.23099	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	299.2007
Annotation	Microstegiol
Peak:m/z	Relative Intensity
52.89385	0.8
55.05512	4.8
57.03437	1.9
57.07076	4.0
57.93657	0.9
67.05502	2.4
69.07059	7.6
71.08645	1.1
81.07075	1.1
83.04970	1.2
83.08643	7.0
86.09688	1.4
86.65216	1.0
95.08612	7.2
97.06538	13.3
107.08580	1.2
109.10162	2.1
111.08089	2.4
113.09613	1.3
133.06491	9.7
138.98814	1.2
145.06450	7.1
147.08031	4.3
149.09650	1.7
157.06483	2.2
159.08070	16.4
173.09605	6.3
175.11188	29.0
183.08043	5.2
183.93813	0.9
187.07556	38.2
187.11151	6.7
189.12775	2.2
197.09669	8.4
199.11374	1.1
201.09189	10.8
201.12752	41.7
209.48640	1.0
211.11240	2.3
213.12656	9.0
215.10721	6.6
215.14294	7.5
221.13216	2.2
227.14310	1.2
229.12231	10.9
239.14305	12.5
241.16011	1.5
243.13783	4.0
252.89507	1.6
256.14569	1.5
257.15305	10.6
278.63901	4.5
281.18958	12.3
299.20081	100.0
299.25211	8.8
317.17868	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1858
Annotation	Aigialone
Peak:m/z	Relative Intensity
55.01871	2.3
55.05524	10.1
57.03440	11.3
57.07072	2.3
59.05001	4.2
63.50648	0.9
67.05193	2.0
67.05515	39.7
69.07076	12.9
71.04646	1.7
71.05002	40.0
71.08643	25.3
72.86310	0.9
79.05051	1.6
79.05494	24.2
81.03400	2.2
81.06610	2.1
81.07069	58.6
81.07539	2.5
83.05009	8.0
83.08633	11.8
85.06561	8.9
85.10194	1.6
87.04507	1.1
91.05486	26.3
93.07047	22.8
95.04935	5.0
95.08614	32.6
97.06535	13.0
97.10175	2.2
99.04449	6.0
99.07521	1.6
99.08107	34.0
105.07043	29.7
107.04948	2.2
107.08604	13.0
109.06510	6.8
109.10168	18.1
111.04398	1.7
111.08063	7.1
112.30631	1.1
113.09737	1.4
117.06989	1.8
119.08586	23.6
121.06451	1.2
121.10145	33.7
123.08121	3.6
123.11684	5.0
127.11211	10.3
129.06963	1.9
131.08531	5.1
133.06552	1.3
133.10165	11.9
135.08018	1.8
135.11688	12.3
137.09612	1.3
137.13261	4.6
139.07590	1.2
139.11179	4.2
141.12759	44.5
147.11700	46.4
149.09653	15.3
149.13316	1.4
151.11162	5.5
157.08600	1.2
157.10066	2.6
159.11852	1.0
161.13197	2.1
165.12761	12.4
169.12213	8.0
175.11145	5.8
179.14349	4.0
183.13759	2.1
185.95044	1.1
193.12245	6.7
197.15337	7.2
201.14873	1.8
207.13828	1.5
215.16388	1.1
217.19554	17.7
225.14864	18.8
235.20595	13.8
239.14343	2.0
245.18954	2.6
248.38077	1.1
263.20047	35.3
271.19125	1.2
281.18011	1.6
281.21130	52.9
299.18515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.1
55.05532	23.6
57.03445	12.4
57.07076	5.0
59.05013	2.6
66.74200	2.1
67.05517	67.7
67.05874	2.4
69.07082	29.2
71.04998	31.9
71.08640	51.9
76.80813	2.8
79.05508	37.0
81.03436	4.8
81.07070	90.3
83.04984	5.7
83.08636	57.2
85.06531	9.1
85.40069	2.2
91.05496	28.4
93.06514	3.5
93.07061	41.5
95.04993	12.6
95.08617	51.0
97.06551	20.6
99.04468	9.8
99.08099	55.9
105.07053	33.7
107.08603	24.0
109.06550	10.5
109.10176	39.7
111.08109	27.4
113.09641	3.2
119.08598	31.7
121.10157	65.2
123.08101	2.7
123.11739	11.1
127.11242	22.7
129.07022	2.8
129.09138	3.3
131.08597	5.7
133.10170	27.2
135.11681	17.2
139.07526	5.3
139.11191	9.7
141.12747	90.7
145.10130	3.7
147.11719	53.6
149.09651	23.3
151.11229	9.5
157.08614	10.5
157.10078	4.2
161.13235	10.4
163.11192	4.3
165.12833	18.1
167.10628	3.5
169.12367	16.5
175.09689	19.5
175.11215	9.5
179.14342	3.1
181.12196	2.4
185.71109	2.3
193.12291	10.3
217.19534	34.7
225.14888	22.3
226.34328	2.8
227.18027	3.6
227.42972	2.4
235.20621	32.0
239.14374	5.9
245.19121	9.5
263.20065	92.1
281.21164	100.0
299.18634	74.1
299.22272	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	299.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42372	2.2
54.41689	2.3
55.05526	41.5
57.06829	4.7
57.07087	88.5
67.05511	4.1
69.07086	3.9
75.80341	2.5
81.07063	4.7
83.08629	28.1
83.09024	3.0
92.18012	12.6
95.08614	4.6
98.98460	18.1
101.09675	40.1
109.10258	2.8
131.72833	2.9
140.88374	3.2
143.01059	12.3
156.03592	6.5
156.53802	3.9
177.70602	2.9
199.07321	100.0
233.89922	6.4
243.09938	3.1
252.89456	16.5
275.91095	6.8
278.14886	3.7
278.64691	20.1
299.16199	72.9
299.19702	5.4
299.31293	29.0
307.52548	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	299.1279
Annotation	Enterolactone
Peak:m/z	Relative Intensity
55.01867	3.5
65.08558	0.7
67.30359	0.8
69.03423	0.8
79.05520	1.3
88.73143	0.9
91.05478	3.2
93.41453	0.8
96.15049	0.7
103.05473	1.1
107.04961	90.4
112.23228	0.8
114.09167	0.9
117.07008	3.9
119.04929	4.1
129.06966	1.1
131.04021	1.3
131.04935	29.3
132.05714	3.5
132.77122	0.8
133.06503	8.1
144.05714	4.7
145.06482	19.1
157.06502	10.1
163.73741	0.8
164.77312	0.8
165.07014	1.1
167.08607	1.0
169.06532	1.3
179.08585	1.9
181.06422	1.3
181.09998	2.4
191.08537	6.0
194.07278	5.3
195.08075	5.4
207.08034	8.9
208.08847	1.9
209.09656	7.8
210.06847	2.0
211.07622	1.1
218.07175	1.4
219.08051	10.3
223.07538	1.9
223.11166	4.9
225.09102	26.5
233.09703	1.6
234.98843	1.0
236.08345	5.1
237.09096	100.0
239.10675	17.9
249.09268	1.6
250.09930	5.5
251.10660	42.2
263.10663	2.0
269.11722	20.1
281.11713	55.8
299.09177	3.1
299.12753	10.7
299.17532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0922
Annotation	2,8-Dimethoxy-7-hydroxy-3,4,-methylenedioxyphenanthrene
Peak:m/z	Relative Intensity
51.01222	0.6
53.73836	0.5
70.06588	0.7
70.62688	0.6
72.08128	0.7
91.80890	0.7
95.04952	0.7
112.88849	0.7
123.09290	0.6
149.05994	0.9
153.06952	1.0
155.08636	0.7
165.05611	0.8
165.07013	2.8
167.07050	0.9
168.05666	4.6
181.06479	0.9
181.08598	1.0
183.08044	3.8
185.05994	1.2
193.06441	0.9
196.05206	15.8
197.06050	0.9
200.08319	1.3
200.13243	0.7
207.04391	6.1
209.05907	0.8
211.07538	35.4
212.07471	0.7
213.05449	6.2
213.08839	0.7
224.04733	2.6
225.05394	0.9
227.07022	1.2
228.07909	6.3
234.98988	1.0
235.03931	2.9
239.07039	12.8
240.07770	2.7
241.04919	4.0
255.06625	1.0
256.07318	12.7
267.06604	4.9
271.09668	3.4
284.06818	4.4
299.09149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2741
Annotation	Spiroxamine
Peak:m/z	Relative Intensity
55.05508	10.0
57.07084	64.2
57.32500	6.7
57.90685	6.4
67.05486	30.4
69.07066	30.6
69.11038	7.7
71.08638	65.5
72.47942	6.7
81.07076	68.2
83.08642	12.4
85.51482	8.4
85.87600	8.3
88.20631	7.7
89.02393	7.4
95.08611	38.5
97.10146	16.7
107.08611	15.8
109.10162	10.2
111.11691	11.1
119.08601	9.5
123.11712	39.6
136.06154	17.2
141.12769	47.0
186.28636	8.3
206.43394	8.3
233.89961	15.1
245.22604	8.5
261.51797	8.6
263.23608	10.4
280.23618	9.1
281.24884	10.0
298.27383	83.0
298.30783	17.2
299.25830	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	298.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79454	0.6
55.05508	0.9
60.78967	0.5
67.42825	0.5
70.06573	2.5
72.08160	21.5
79.05472	0.9
81.07044	1.1
83.08630	1.0
84.08153	0.9
84.42258	0.6
85.04035	10.7
95.08582	2.8
97.04037	0.8
98.06017	1.0
98.12152	0.5
99.05593	5.9
102.37165	0.6
107.04960	14.4
108.05283	10.6
109.10116	1.1
111.05574	1.2
114.09142	1.3
115.08697	3.0
117.87100	0.6
121.02799	0.8
121.10146	1.3
123.05530	0.7
125.07107	0.8
136.06165	3.3
137.09641	1.3
139.08678	10.9
149.09663	4.4
155.04506	2.5
158.99713	1.0
167.10664	1.2
169.06078	4.3
170.09663	1.0
173.01210	0.7
178.12268	3.8
183.07611	2.5
186.09134	1.2
192.10338	0.8
193.13365	14.0
196.13326	1.1
203.11864	0.9
203.24506	0.6
220.16946	3.5
221.12840	9.5
227.13885	1.1
238.17996	0.9
239.13898	23.1
239.40056	0.6
257.08688	0.7
263.17587	2.4
266.09201	2.4
281.11884	3.6
281.18594	100.0
298.08081	1.1
298.11530	5.8
298.21265	88.4
302.88937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53656	0.3
55.05506	1.5
59.82080	0.4
69.07066	0.4
70.06586	1.5
70.91992	0.4
72.08165	20.2
83.08609	0.5
84.08145	0.9
85.04036	10.2
93.07039	1.5
95.08592	0.8
96.08124	0.4
97.04005	1.9
97.10149	0.7
98.00457	0.4
98.06059	0.7
99.05588	5.3
111.05527	1.4
115.08688	2.9
121.10129	2.3
123.05523	0.7
125.03464	0.7
125.07056	1.6
125.09632	0.8
137.07106	0.6
137.09621	1.6
139.05014	0.5
139.07675	0.6
139.08684	12.5
149.09636	6.1
150.12709	0.6
155.04504	2.6
160.11212	0.5
164.10629	0.5
167.10674	1.9
169.06068	3.9
178.12254	4.3
183.07721	2.7
192.10251	0.7
192.17535	0.5
193.13380	13.1
196.13319	0.8
197.09230	0.7
203.11772	2.2
220.17009	3.0
221.12878	8.9
227.13855	0.6
235.17882	0.4
238.18088	0.8
239.13910	18.8
263.17575	2.8
281.18607	100.0
298.21268	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.8
57.48593	0.4
60.05664	3.9
67.05504	3.0
68.78878	0.4
69.07071	2.7
72.08151	2.0
79.05500	4.7
81.07070	4.0
82.74239	0.4
85.73995	0.5
86.06063	7.0
87.04005	0.7
87.04483	13.9
91.05477	3.9
92.17816	0.8
93.07054	33.9
95.04937	0.9
95.08614	15.5
97.06526	0.5
98.06074	0.6
99.79855	0.5
104.07114	6.6
105.07024	1.1
107.08609	25.3
109.10161	0.5
111.05571	0.9
128.08232	4.1
129.06599	2.9
131.38370	0.6
135.11696	2.4
136.06192	0.5
146.09254	72.2
163.03876	0.7
169.06053	0.6
204.79904	0.5
257.08493	0.7
281.18564	3.5
289.64752	0.5
298.21271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1651
Annotation	Solorinine
Peak:m/z	Relative Intensity
52.58720	0.4
54.58747	0.3
59.07388	0.6
60.08163	0.8
64.61407	0.3
65.03940	0.4
86.09746	0.7
87.04473	100.0
89.02405	2.2
93.03424	2.8
111.04449	2.5
125.05993	10.4
128.36922	0.4
146.11740	3.5
151.07523	2.5
153.05469	39.3
158.41412	0.4
221.08205	0.6
298.16492	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75836	0.3
57.69078	0.3
58.06601	0.5
59.07386	0.6
59.16956	0.3
60.08180	0.8
82.42078	0.3
84.05637	0.4
86.09708	0.8
87.04476	100.0
89.02409	1.6
93.03402	2.8
111.04455	0.9
119.04992	0.5
119.18272	0.3
125.05992	11.3
136.06166	4.7
146.11754	5.0
151.07564	2.2
153.05475	43.1
157.75835	0.3
166.23099	0.4
280.12842	0.5
298.16501	60.6
299.33447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14941	0.4
58.05294	0.5
60.05650	1.1
62.54059	0.5
68.05030	2.6
69.03413	0.7
69.05817	10.1
70.06241	0.7
70.06598	19.8
72.05647	6.1
72.08142	1.0
73.06421	5.8
84.08142	0.9
85.02898	2.9
91.94034	0.6
95.06081	0.7
96.40082	0.5
97.02893	0.8
101.05998	3.3
111.07940	3.1
112.08743	12.6
119.07068	0.6
121.06456	0.6
126.12777	2.8
127.03905	1.0
129.08954	1.3
130.09727	0.8
136.06192	26.3
137.05962	0.6
139.07510	0.6
141.05516	0.9
145.04951	1.1
147.04446	0.7
151.07510	0.7
152.05684	7.3
155.03362	2.3
164.07076	2.5
167.07069	0.6
169.04991	3.3
174.05486	0.6
177.05487	1.3
178.07254	0.7
178.08632	5.8
179.07024	3.0
181.08620	1.1
182.08086	0.7
188.07076	6.7
189.05505	0.6
192.06554	3.6
193.08534	0.5
206.08127	36.8
207.06509	0.6
209.08060	3.5
221.08138	2.2
223.06630	0.5
224.09187	34.6
230.09189	2.8
231.07614	0.9
238.10695	3.8
248.10303	5.8
266.11276	1.3
280.12985	2.6
298.08670	3.3
298.13980	100.0
304.00989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
61.01154	1.1
70.06597	0.3
72.08154	0.5
75.02719	0.9
80.08387	0.2
84.04512	0.3
84.08141	1.1
85.02913	14.6
85.03426	0.5
87.04446	0.2
88.03992	0.5
91.05480	3.9
95.04971	1.0
102.05524	0.9
118.86163	0.2
119.04943	5.1
120.06589	1.0
131.03401	0.9
136.06190	29.2
137.05026	0.3
137.05957	2.0
145.03166	0.2
151.07549	100.0
163.04066	0.9
168.10194	13.4
177.05490	0.3
179.07014	0.4
192.10149	0.3
194.08171	0.2
220.09753	0.2
234.11270	4.7
238.10645	0.3
251.80650	0.3
252.12308	18.1
270.08508	0.3
280.11853	0.9
298.09705	2.4
298.12836	22.3
312.63779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62910	0.5
54.71996	0.5
57.03444	0.8
59.03745	0.9
63.92701	0.6
69.03433	3.8
70.06599	1.5
72.08157	2.5
73.02918	1.4
73.06542	0.8
79.05504	0.8
84.05643	0.7
84.08131	0.7
85.02915	9.4
86.06081	0.8
87.03225	8.4
87.04469	25.9
88.11250	0.7
91.04932	1.1
91.05484	20.7
96.05633	1.3
97.02882	2.4
98.06042	3.4
101.06017	1.4
103.05426	4.5
105.07036	3.5
107.04968	3.7
108.04475	3.9
110.07214	0.8
112.03959	1.0
114.05502	3.4
115.03919	4.0
116.07063	3.0
120.08103	39.6
125.05981	1.5
130.06531	14.9
131.04921	5.7
131.05794	19.6
132.08093	31.8
134.09639	2.5
136.03975	1.1
136.06175	3.9
137.02342	1.0
144.08066	11.4
145.04961	2.6
146.09634	0.7
149.05991	3.0
151.07596	0.8
153.05466	9.8
156.08105	16.3
158.09633	0.9
162.09177	5.5
163.06044	0.7
166.07352	0.9
166.08604	6.3
166.09814	1.0
167.07198	0.8
168.08096	1.1
170.09679	5.0
171.08018	1.3
172.07526	0.7
174.09126	5.6
176.07065	3.4
178.08519	5.1
178.09955	0.8
179.90376	0.7
180.08058	1.0
186.09155	2.6
188.10696	0.7
193.10806	7.3
198.09154	14.8
199.99872	8.4
216.10199	20.1
220.09726	1.4
234.11250	74.9
239.11314	7.0
244.09689	4.9
252.12279	10.8
254.11290	1.0
262.10733	56.2
266.11420	5.3
269.00281	1.5
280.11792	100.0
298.09244	3.6
298.12955	12.5
298.16501	9.7
298.21646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0971
Annotation	5'-Methylthioadenosine
Peak:m/z	Relative Intensity
55.05511	0.5
58.06600	0.4
60.63878	0.3
61.01166	4.1
67.05497	0.3
70.06561	0.6
72.08144	1.1
75.02699	2.0
76.76318	0.2
83.04996	0.4
84.08139	0.4
85.02889	0.3
93.03375	0.6
95.04958	2.1
95.06103	5.0
97.02893	2.5
101.00875	3.4
103.02216	0.4
111.04461	0.3
119.01920	11.8
121.02882	6.7
121.43919	0.3
136.06189	100.0
137.02953	2.4
139.03867	0.5
145.03206	1.6
147.38855	0.3
151.08667	0.4
152.05692	1.7
153.04057	0.5
156.07732	0.3
163.04207	1.4
163.74971	0.3
166.07283	0.5
166.09766	0.7
169.01601	0.2
171.05043	1.2
178.09741	1.5
193.03415	0.4
193.10873	5.1
194.09219	0.4
195.05107	2.1
195.11267	10.9
195.12869	0.5
197.02940	2.3
203.01921	1.8
211.04523	2.1
213.06082	0.3
215.04034	1.1
221.02928	6.7
221.04828	0.4
239.04019	2.1
239.11418	4.9
254.18607	5.3
257.04996	7.9
257.07339	0.4
275.06110	17.8
298.09738	10.0
298.13196	0.4
298.14380	0.4
298.18292	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
61.01159	4.1
68.80085	0.1
69.03429	0.1
70.39754	0.1
74.98623	0.1
75.02713	1.7
75.35356	0.1
80.28796	0.1
82.17073	0.1
97.02895	1.6
103.02180	0.4
105.54238	0.1
111.37337	0.1
112.96249	0.1
116.40198	0.1
119.03565	0.3
128.01662	0.5
131.72981	0.1
136.06192	100.0
136.48006	0.1
145.03194	1.3
163.04199	1.4
174.02191	0.5
298.09705	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	298.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84092	0.6
53.92950	0.6
58.06604	0.7
61.01157	5.4
61.69320	0.6
67.05505	1.2
68.98267	0.7
72.03893	0.7
72.08147	0.9
73.52825	0.6
75.02721	1.1
83.04966	0.7
84.08134	1.3
85.02907	1.5
86.99355	0.7
93.03410	7.2
95.04967	10.2
95.06064	1.6
97.02898	1.6
100.02508	0.8
101.00886	15.5
101.06023	1.4
111.04395	0.7
119.01923	68.8
121.02876	40.0
136.06194	82.1
137.02962	16.2
139.00761	0.9
139.03917	4.2
143.05521	0.9
145.03285	1.1
150.07736	3.4
152.05785	0.8
152.07028	1.1
153.03964	3.3
161.06596	1.3
166.07249	46.6
166.09517	1.1
169.03473	1.6
171.05002	6.1
177.03906	0.7
178.09773	0.7
181.27922	0.7
189.06100	1.4
193.03506	3.2
193.10849	6.3
195.05013	8.9
195.11369	1.1
197.02942	11.5
201.09767	1.5
203.01907	9.9
207.07091	1.0
211.04547	14.7
211.08240	1.0
213.06123	3.9
215.03992	8.2
221.02950	36.8
229.05545	3.1
229.09184	2.5
231.07280	0.8
233.05063	1.4
239.04025	12.8
239.11395	8.2
254.08760	0.9
257.05042	44.4
275.06110	100.0
280.06680	3.1
298.07846	4.6
298.09366	4.0
298.14685	1.3
298.18399	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	298.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05778	2.9
72.93373	3.4
86.09687	13.7
95.04946	4.8
101.00881	12.0
104.10753	60.3
106.48651	4.0
112.89548	6.2
119.01918	75.3
121.02882	39.4
137.02956	17.1
139.03920	3.9
166.83801	4.3
171.05003	6.6
193.10901	17.9
195.04910	3.8
197.02988	6.0
203.01929	7.5
211.04504	14.0
215.04019	11.9
221.02934	38.8
229.05565	3.9
233.05023	3.8
238.99124	27.9
239.04085	13.7
239.11375	13.5
257.05014	54.1
275.06097	100.0
280.11298	7.2
298.06488	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92027	3.9
69.00157	4.0
81.77596	4.6
88.60140	5.2
90.93420	4.7
98.97605	11.0
103.56824	4.6
114.23987	4.7
119.01958	6.3
193.10805	9.8
197.39270	4.9
232.95950	36.8
239.11292	15.1
250.96980	28.7
256.96820	14.2
257.04999	5.9
274.97000	100.0
275.05945	7.3
279.98245	8.0
292.98129	28.2
298.18820	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	297.2426
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.01685	1.9
55.01886	32.5
55.05523	19.4
57.03442	2.6
57.07085	27.5
62.05212	2.3
67.05515	25.9
69.07076	74.3
71.04967	4.6
71.08617	15.8
78.29086	2.3
79.05494	23.2
81.07059	45.4
83.04984	5.1
83.08624	41.3
83.68533	2.1
84.74004	2.3
85.10217	6.0
93.07040	34.7
95.08611	42.1
97.06538	8.9
97.10164	12.4
107.08595	26.4
109.10167	28.8
111.08083	10.7
121.10139	25.9
123.11702	4.9
131.08597	4.1
133.10085	2.8
135.07979	3.0
135.11682	28.7
137.13234	3.0
149.13229	3.8
153.12741	48.0
159.11699	3.0
161.13263	2.6
163.11243	3.9
165.12881	2.7
177.16331	2.7
183.13780	4.1
197.19017	3.1
229.84692	2.8
233.22694	11.6
237.22163	3.2
243.21074	6.1
250.89412	10.2
251.23587	4.1
255.89919	2.9
256.26212	3.0
261.22180	17.9
273.91092	5.3
279.23181	100.0
297.24393	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.99750	2.4
55.05523	23.4
56.34106	2.3
57.03448	6.6
57.07077	15.4
57.25211	2.4
59.10281	2.2
62.72006	2.6
67.05224	3.2
67.05515	45.7
69.07073	34.8
71.05013	5.0
71.08631	34.0
79.05495	18.3
81.07067	64.8
83.05006	2.6
83.08638	27.8
84.05637	3.4
85.06561	4.7
90.83385	3.0
91.05507	3.7
92.18127	5.4
93.07063	24.4
95.08612	66.9
97.06551	3.6
97.10174	50.8
99.08076	10.2
105.07044	3.4
107.08595	28.2
109.10162	48.1
111.08129	4.0
117.07066	3.7
119.08595	4.9
121.10143	20.7
123.11699	19.0
125.09640	24.9
135.11705	23.5
137.13274	10.9
141.12708	2.9
146.55786	4.5
147.11719	4.7
149.13246	5.6
151.14879	3.0
153.12756	6.6
155.56168	4.2
163.14790	5.1
165.12717	2.9
169.15918	12.7
173.13275	4.1
181.15889	3.2
183.13800	95.3
189.11215	10.7
222.81166	3.4
243.21014	5.2
250.89412	4.7
251.23619	21.4
261.22134	24.8
273.90936	2.7
279.23212	100.0
297.18896	5.9
297.22626	12.8
297.24280	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	297.2427
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.81656	2.1
55.05504	3.0
56.80896	2.0
67.05520	15.2
69.07066	7.5
71.08638	100.0
79.05498	8.7
81.07071	37.7
82.89817	1.9
83.08623	12.3
88.50412	2.1
91.05476	3.7
93.07019	5.3
95.08622	26.6
97.10162	3.8
99.08101	61.3
105.07030	8.7
107.08604	14.0
108.96281	2.1
109.10155	8.6
119.08566	9.8
121.10136	9.5
123.11697	5.5
125.80519	2.2
131.08630	2.8
135.11710	3.8
145.10104	4.3
147.11687	37.6
149.13242	2.9
153.12776	4.3
161.13301	2.7
163.11200	4.9
163.14822	8.9
165.12764	14.4
173.13293	3.2
181.15884	3.4
243.21053	12.2
250.89426	9.9
261.22156	13.4
273.91168	3.8
279.23196	79.1
280.05994	2.3
297.24661	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2427
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.01881	20.6
55.05521	28.0
57.07080	18.1
67.05174	3.2
67.05511	52.4
69.07073	49.8
71.08618	10.0
72.53531	2.0
79.05495	44.5
81.07066	72.8
83.04980	3.3
83.08624	67.6
85.06556	2.0
91.05428	6.4
92.74596	2.2
93.07050	71.7
95.08608	66.8
97.06528	12.7
97.10164	29.8
97.75465	2.2
105.07043	4.4
107.08595	66.1
109.06533	2.1
109.10167	28.2
111.04397	2.0
111.08057	3.6
111.11751	2.7
117.07005	2.0
119.08521	1.8
121.10148	99.5
123.11721	11.9
125.09644	3.4
125.54472	1.9
131.08563	4.5
133.10162	4.1
135.08037	2.3
135.11699	71.4
136.14969	2.1
137.13277	16.7
139.07549	4.5
145.10153	3.4
147.11719	3.0
149.09651	4.4
149.13251	32.1
151.14827	9.8
153.09129	7.3
153.28073	2.0
159.11711	3.8
161.13240	4.2
163.14816	8.2
167.10657	4.6
167.14304	26.7
173.13220	3.8
177.16454	8.8
187.14799	3.0
191.17957	3.4
221.97301	2.0
233.22632	100.0
243.21097	27.2
250.89590	2.4
261.22144	36.7
279.23199	34.7
297.24387	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	297.2426
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.01878	22.6
55.05523	29.8
57.07087	15.1
58.99697	1.4
65.03934	1.4
67.05514	63.6
68.73267	1.5
69.07074	52.3
71.04990	2.3
71.08619	8.0
79.05501	40.6
81.07066	77.1
83.04990	3.0
83.08626	58.3
85.06540	2.4
85.10184	3.0
85.78812	1.5
91.05476	8.4
93.07046	68.9
95.08609	71.8
97.06539	12.8
97.10171	26.6
105.07021	3.9
107.08602	64.5
109.06513	2.9
109.10165	33.2
111.08099	9.0
111.11698	3.4
119.08595	2.6
121.10143	100.0
123.11700	14.0
125.05962	3.3
125.09593	2.3
131.08546	8.3
133.10144	4.0
135.11690	62.0
137.13254	16.7
139.07552	2.2
139.11160	2.0
145.10130	4.1
147.11688	3.9
149.09743	1.8
149.13260	31.0
151.14832	14.2
153.09120	1.9
159.11670	2.7
161.13254	2.7
163.11176	2.4
163.14764	8.3
167.10657	4.2
167.14299	24.3
173.13277	2.6
177.16444	7.8
187.14842	2.4
198.70352	1.7
233.22623	84.2
243.21062	22.1
261.22073	30.1
279.23267	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	297.2427
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.66233	2.3
53.00332	2.6
54.70969	2.3
55.05523	6.7
57.03436	3.9
57.07085	40.6
67.05523	39.3
69.07076	28.2
72.08162	5.4
73.72779	2.7
78.49764	2.9
79.05499	16.1
81.07066	56.7
83.04975	6.9
83.08596	5.1
84.05641	3.4
85.10194	59.2
91.05512	12.3
92.19766	3.0
93.07038	30.0
95.08607	43.8
97.06537	14.4
97.10174	5.6
102.93023	3.3
103.74530	3.0
105.07040	4.8
107.08609	21.5
109.10172	20.9
111.26440	3.6
113.09644	40.4
119.08609	22.1
119.13613	3.2
121.10144	29.1
123.11697	4.7
125.09650	4.2
127.11192	6.1
131.08563	6.0
133.10144	12.1
135.11685	36.8
137.09625	6.3
139.11211	15.1
147.11760	3.6
149.01239	4.8
149.13258	5.3
153.12764	6.1
154.09544	2.8
163.14688	3.2
167.14304	3.8
174.98798	2.8
181.15947	3.8
183.13837	5.3
203.12764	29.9
208.88585	3.0
231.90120	3.3
247.20528	12.9
250.89427	15.3
251.23547	4.0
256.26297	16.4
261.22116	6.7
265.21588	48.2
273.91000	6.2
274.55029	3.3
277.13705	6.5
279.20087	5.3
279.23178	100.0
297.18497	3.6
297.24307	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2427
Annotation	9-Hydroxy-10E,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.72366	1.8
52.63723	2.2
55.01877	2.2
55.05510	14.3
56.31655	2.2
57.03450	2.8
57.07077	14.0
67.05522	43.2
69.07076	22.0
71.04997	2.8
71.08641	2.7
72.04528	21.3
72.08161	12.3
79.05494	12.6
81.07076	37.2
83.08627	17.9
83.73910	2.4
84.05639	12.0
85.10194	30.7
91.05496	4.9
93.07058	23.9
95.08614	38.2
97.06550	4.4
97.10174	24.3
100.07631	90.9
105.07084	6.1
107.08590	26.0
109.10169	27.3
111.08069	2.8
113.09666	28.4
119.08624	3.9
121.10140	12.8
123.11713	4.9
124.87741	2.8
125.09646	12.5
131.08508	3.3
133.10089	18.8
135.11678	21.3
137.13284	3.9
147.08063	5.3
149.09618	3.8
149.13281	5.9
153.12750	10.4
159.11665	3.0
161.09604	32.0
161.13246	2.7
163.11305	2.7
168.06491	2.8
173.13406	4.3
189.11310	2.8
226.15517	4.9
237.12769	4.8
243.21172	5.5
261.22296	17.4
275.63257	2.5
279.23193	100.0
279.26065	5.0
297.07642	5.7
297.18451	50.3
297.22879	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	297.2427
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.47657	2.4
54.81963	2.5
55.01882	6.6
55.05517	14.8
57.03437	4.1
57.07085	5.8
67.05518	56.2
69.07063	17.9
79.05484	10.7
80.72944	2.8
81.07067	84.4
83.04985	3.3
83.08617	5.8
84.03499	2.8
85.10184	15.4
91.05492	2.8
93.07037	14.5
95.08611	100.0
97.06521	3.5
97.10187	6.5
107.08592	16.2
109.10163	69.6
113.09647	6.4
121.10139	15.5
123.11683	20.2
125.09629	12.7
133.10129	4.9
135.11693	6.2
137.13225	5.4
141.12813	3.3
149.13324	11.4
155.10707	6.2
167.14317	5.1
184.97678	2.8
208.88313	2.8
223.16841	3.1
243.20982	2.8
245.98535	2.9
250.89496	13.8
256.26440	3.1
261.22247	11.9
279.23209	90.0
297.22363	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	297.2424
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.00293	1.3
55.05503	2.8
56.51751	1.2
57.07085	22.8
60.16213	1.2
61.37556	1.2
67.05512	27.2
69.07065	6.2
69.22761	1.3
73.48587	1.2
79.05495	5.8
81.07062	24.0
83.04999	1.7
83.08602	7.9
83.09057	1.5
85.10188	97.5
91.05486	13.2
91.82465	1.3
92.79651	1.5
93.07046	10.9
95.08612	20.5
97.06526	2.5
97.10149	6.0
105.07021	5.3
107.08594	7.5
107.65569	1.4
109.10181	5.9
110.10118	1.2
111.08069	2.9
113.09644	76.1
121.10156	6.3
123.11694	2.3
131.08574	5.2
131.10677	2.2
133.10136	38.9
135.11694	3.0
147.11636	1.5
149.09596	7.3
149.13260	27.3
151.11200	10.5
152.22070	1.3
153.12773	1.6
159.11729	2.4
167.14311	12.3
181.15884	3.1
233.22667	1.4
243.21095	4.9
261.22165	19.9
279.23196	100.0
297.24234	30.6
299.11511	1.3
318.31519	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31527	0.4
55.05517	0.5
60.05662	10.6
69.07062	2.5
70.06580	2.4
72.08164	44.2
79.05504	0.7
81.07070	2.1
83.08598	0.7
84.05634	8.1
93.07022	1.1
94.88144	0.6
95.08585	0.8
96.04483	1.3
97.07641	0.8
107.04976	0.7
109.06528	0.7
109.10215	0.7
111.04436	0.8
112.08764	0.6
114.10283	7.7
121.10155	4.0
123.11719	0.9
125.06010	2.5
131.12915	3.4
149.09628	2.5
150.09155	2.7
164.83165	0.5
166.12274	5.2
166.13376	0.6
167.10664	4.4
168.13872	0.7
178.12273	8.0
180.14960	2.6
208.14481	8.8
220.16975	9.4
226.15514	28.3
280.17395	0.9
280.20108	4.3
292.86160	0.7
297.20239	3.7
297.22864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05662	13.5
60.99690	0.3
63.79021	0.3
65.07071	0.3
65.69728	0.4
72.08162	44.2
75.04456	0.6
80.50473	0.4
81.07082	0.4
84.05637	28.9
92.39466	0.3
92.58083	0.4
93.07054	9.8
97.07645	1.5
105.33392	0.3
105.36255	0.4
111.08073	1.8
114.10291	9.8
115.39156	0.4
121.10142	6.2
131.12935	5.2
135.76945	0.4
138.10275	2.4
139.11243	0.4
149.09608	0.4
155.12886	1.5
175.84355	0.5
208.14500	2.0
220.16917	0.4
226.15506	33.0
280.20270	3.1
297.22861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95316	0.4
72.08163	44.3
84.05636	50.3
88.67783	0.5
88.86729	0.5
93.69168	0.5
99.29594	0.6
123.39927	0.5
138.10294	4.6
141.32010	0.5
155.12929	3.2
208.14429	3.9
226.15500	50.0
240.14766	0.6
280.20239	3.6
286.93073	0.6
297.22858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06901	0.4
51.17379	0.4
53.60040	0.5
56.69242	0.4
60.05661	29.8
64.44558	0.4
72.08161	41.3
75.04462	2.2
76.83457	0.4
77.91833	0.4
79.05489	0.5
81.07043	2.1
89.10784	1.1
91.05442	0.5
93.07051	21.2
97.07651	3.3
111.08089	2.2
114.10294	22.5
119.85561	0.4
121.09340	0.9
121.10145	12.4
123.11678	0.6
125.96400	0.5
131.08501	0.5
131.12933	12.5
139.11203	0.5
149.09621	1.9
151.07784	0.5
153.34003	0.4
221.94835	0.4
226.15503	12.4
238.17982	0.9
280.20184	1.1
297.22861	100.0
309.30682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.4
60.05658	10.9
69.07085	2.2
70.06606	2.1
72.08159	40.8
79.05478	0.7
81.07044	1.5
83.08612	1.6
84.05595	0.4
93.07026	1.3
93.86738	0.3
95.08620	0.5
96.04470	3.0
97.06525	0.4
97.07641	1.3
107.04956	0.6
108.04443	0.4
109.06542	0.4
109.10126	0.3
110.06034	0.5
111.04431	1.8
112.08710	0.5
113.09494	0.7
114.10279	7.7
121.10140	4.5
123.04333	0.4
123.11692	0.7
125.05997	2.7
131.08585	0.3
131.12918	2.3
138.09137	0.3
138.10275	0.4
138.12785	0.6
149.09624	2.9
150.09108	2.2
151.11108	0.3
166.12259	7.0
166.13451	1.0
167.10689	4.6
168.13806	0.7
178.12248	7.5
180.14957	2.6
205.61308	0.3
208.14441	9.7
220.16963	12.2
226.15498	27.0
237.19571	1.9
238.17961	1.8
280.20154	6.7
297.22852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
71.12464	0.8
72.89595	0.8
81.07068	2.7
83.08612	1.4
91.05476	0.8
93.07041	1.1
95.08624	9.0
97.06526	0.9
111.08059	1.1
121.10213	0.8
135.11743	1.3
208.88306	0.8
247.71809	0.8
261.18451	1.2
279.19580	3.3
297.20395	100.0
302.90741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2064
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
52.57836	1.8
55.01886	3.4
55.05524	28.0
56.10434	1.6
57.55138	1.8
67.05525	14.2
69.07073	19.9
71.08636	28.5
77.22907	1.8
79.05479	10.5
81.03429	32.0
81.07087	15.5
83.04982	9.1
83.08630	76.2
91.05486	11.8
92.17725	1.7
93.07059	21.0
95.04980	15.5
95.08604	8.3
97.06532	8.2
99.08102	28.0
101.87363	2.2
105.07048	9.2
107.04936	2.8
107.08585	16.4
109.06560	1.8
109.10172	4.0
111.04426	10.3
111.08068	21.7
119.08545	4.8
121.10146	17.8
131.08575	8.4
133.10165	10.1
135.08043	2.1
135.11700	11.6
139.07568	14.4
139.11195	10.6
145.10153	3.9
149.09615	35.6
151.11183	2.5
157.08618	10.0
159.11769	3.3
163.11176	4.4
167.10678	23.4
179.10655	8.3
189.90622	1.9
195.10225	2.9
195.13863	3.4
197.11751	4.5
205.19426	2.2
209.11754	4.6
215.17862	2.8
217.19670	2.4
218.58763	2.2
233.19141	10.0
235.20598	13.5
243.17432	2.8
261.18469	26.4
270.46509	2.2
279.19559	100.0
297.20578	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	297.1853
Annotation	Candidissiol
Peak:m/z	Relative Intensity
53.14387	0.6
55.01857	1.1
55.05507	5.0
57.07093	10.2
57.39817	0.7
59.05005	0.8
67.05512	10.9
69.07087	10.9
71.05006	1.1
71.08628	3.5
72.08147	1.3
74.96052	0.9
76.80714	0.7
79.05512	8.8
81.03417	1.2
81.07069	30.9
83.04968	3.6
83.08616	4.7
84.05603	1.7
85.06529	1.3
85.10156	0.9
91.05509	1.4
93.07067	7.3
95.08610	19.2
96.39405	0.7
97.06520	4.7
97.10153	3.1
99.08097	1.9
105.07033	3.2
107.08579	5.2
109.06526	12.4
109.10181	8.5
111.08077	4.5
111.11744	0.8
113.07684	0.7
117.06998	0.9
119.08564	1.4
121.10136	10.7
123.08086	10.7
123.11687	1.7
125.09593	0.8
127.11169	4.0
133.06522	1.7
133.10136	1.4
135.11707	6.3
137.24542	0.8
139.11215	5.3
145.06511	8.4
145.09961	0.8
147.08049	1.8
147.11629	0.7
149.09608	4.6
149.13310	1.0
153.12727	0.8
159.08046	5.3
161.09642	1.7
163.11191	0.9
167.10635	1.2
169.12263	1.2
171.08026	3.8
173.09634	7.4
175.11198	3.3
183.13876	0.8
185.09593	1.0
187.11194	9.8
188.11989	6.4
189.12750	8.4
197.09647	1.4
199.11017	1.0
201.09251	1.1
203.12746	1.5
209.09712	1.1
209.13316	3.0
211.11166	3.2
212.11996	1.1
213.09076	1.3
213.12784	10.7
219.11670	2.7
221.09598	1.1
222.10403	17.8
225.12820	1.6
226.13515	1.2
226.15495	1.7
227.10703	1.1
227.14290	5.2
232.88324	0.8
235.29494	0.8
236.12029	7.3
237.12752	65.0
239.06227	0.7
239.10643	7.6
240.11549	1.7
243.13734	4.6
249.12685	0.9
254.13071	5.7
254.16400	0.7
255.13809	35.5
255.17366	3.8
255.89796	1.1
261.22131	3.9
264.15079	4.8
267.13638	0.9
269.18930	6.5
279.14328	1.4
279.17404	53.6
279.23151	26.0
297.18494	100.0
297.23312	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	297.185
Annotation	Diethylstilbestrol dimethyl ether
Peak:m/z	Relative Intensity
52.86571	3.0
60.64312	3.3
81.07050	5.7
83.70303	3.8
133.06496	16.7
144.89398	3.7
147.08076	14.6
161.09604	61.1
231.89981	6.4
232.88385	5.0
232.96494	5.6
250.89445	24.8
250.98027	3.9
255.90044	8.4
256.26453	5.6
273.90930	14.3
297.18481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1847
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
55.01874	2.5
55.05511	3.4
67.05504	11.2
69.07079	4.6
72.08156	8.3
73.47312	1.8
79.05498	11.1
79.34801	1.8
81.03441	19.0
81.07060	39.8
83.08625	8.8
84.05635	4.7
85.09760	2.3
89.55594	1.7
91.05501	5.0
92.18501	5.1
93.07039	14.0
95.04964	36.9
95.08601	10.1
97.06561	7.9
105.06995	1.9
107.04947	3.4
107.08607	13.2
109.06518	23.7
109.57526	2.1
112.47457	2.1
117.07029	2.0
119.08566	3.5
121.10138	4.6
123.08073	3.5
125.09641	2.8
131.08586	8.5
133.06485	11.8
133.10135	3.6
135.11740	2.9
139.11186	2.4
145.06476	3.0
145.10129	4.8
147.08081	8.4
148.28889	2.1
149.09618	27.6
159.07982	3.3
159.11684	8.0
161.09630	4.8
163.11200	4.9
167.10640	2.5
171.08006	4.3
173.09650	12.8
175.11139	14.9
178.33618	2.2
183.08076	2.4
185.09662	2.6
187.11212	3.3
189.12788	4.3
195.08009	4.6
197.09573	4.1
199.11140	3.0
201.12781	2.9
208.08949	2.8
209.09671	4.6
211.11256	4.5
213.12732	14.0
215.14282	39.5
222.10365	2.8
225.12633	17.1
227.14395	7.7
236.12001	8.5
237.12711	30.5
250.89424	10.8
253.15823	4.0
255.13770	21.9
261.18573	4.5
267.17484	4.7
269.19034	4.5
273.91058	5.0
279.17212	16.2
279.20013	3.3
297.18488	100.0
297.22757	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	297.1852
Annotation	17alpha-Ethinyl estradiol
Peak:m/z	Relative Intensity
55.23693	10.2
55.68103	11.8
65.76780	11.2
67.05506	22.3
69.07063	12.9
71.08627	26.4
81.07059	57.0
81.98185	11.1
93.07034	19.4
95.08614	52.3
98.51920	12.9
105.07034	18.1
116.02207	14.2
133.06612	15.6
141.09038	13.0
195.07925	16.3
209.09470	15.6
219.11642	12.9
231.89839	19.6
232.88425	17.8
237.12740	74.8
250.89384	97.8
255.13884	100.0
255.90117	25.6
261.22089	15.4
273.91034	29.8
279.23251	86.3
297.18671	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1849
Annotation	Candidissiol
Peak:m/z	Relative Intensity
55.01876	5.1
55.05513	12.3
60.09203	2.5
64.48281	2.5
64.93847	2.5
65.82280	2.3
66.39317	2.2
67.05522	19.0
69.03455	2.7
69.07072	18.2
71.05008	3.4
71.08626	16.9
72.08160	31.2
79.05510	21.1
81.03451	3.8
81.07069	100.0
83.05003	3.5
83.08621	17.6
84.05647	24.8
91.05484	9.3
93.07039	21.8
95.05005	2.8
95.08626	27.9
97.06536	5.9
97.10159	3.3
99.08102	4.6
105.07045	4.1
107.08576	13.2
109.06529	50.6
109.10213	17.8
111.08082	25.9
112.08488	3.9
113.29613	2.4
121.10139	14.8
123.08064	14.4
131.04979	4.2
133.06511	9.8
133.10164	6.1
135.11691	3.4
139.11183	4.4
144.08087	10.9
145.06494	40.7
145.10104	3.2
147.08040	19.3
149.13281	4.2
151.11191	3.8
159.08012	4.4
171.08038	10.4
173.09604	2.7
175.11160	4.4
187.11200	40.3
189.12730	42.8
195.07956	3.4
199.11115	4.0
213.12752	35.9
225.12761	14.0
226.15509	31.7
227.14348	5.0
233.19078	2.7
237.12695	13.5
251.20145	5.7
255.13797	33.9
279.17416	13.8
279.22906	28.1
297.18539	82.3
297.22992	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15071	0.6
55.05519	0.8
67.05508	1.1
72.21274	0.6
81.07055	2.6
91.05501	0.6
93.07047	1.3
95.08595	3.9
121.06525	0.7
121.10114	0.8
131.08545	1.1
145.59924	0.9
208.88303	0.9
250.89424	4.7
255.89955	1.6
262.44202	0.7
273.91058	1.5
297.16721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05296	0.5
55.05522	8.2
58.39247	0.5
60.95015	0.5
65.03941	0.6
70.06570	3.4
72.08161	100.0
73.06561	7.7
81.03399	0.5
81.07045	1.0
84.04501	1.0
84.08116	2.5
89.10791	3.9
91.05461	1.1
95.04974	1.2
98.05536	0.6
98.06065	12.7
105.03394	0.5
107.04946	3.4
109.02854	0.7
109.06522	1.1
113.04848	0.6
114.10283	0.6
114.80222	0.5
115.08692	1.1
120.08160	0.9
121.02875	1.1
122.05972	0.7
123.04424	2.4
130.05017	0.7
133.02856	3.0
137.05984	77.0
147.04416	4.8
147.06229	0.6
147.08032	0.9
148.03935	5.3
149.02361	10.5
150.05435	0.7
151.03914	3.5
151.07512	4.5
162.05510	5.1
163.03897	4.9
165.05470	38.3
166.05008	2.2
176.03477	2.8
176.10703	1.3
177.01846	10.3
178.04973	2.1
180.06606	0.9
181.04967	10.4
190.04984	3.3
191.03401	2.2
195.02866	2.7
202.08730	1.0
204.10162	4.8
208.06049	1.1
209.04456	9.8
218.11830	0.7
219.11194	1.0
220.09665	5.7
230.08128	0.8
232.99631	0.7
234.11218	2.9
238.07790	0.5
247.10716	7.8
248.09163	3.3
254.45335	0.8
262.10681	3.2
265.11859	1.3
279.04572	0.6
279.13248	2.6
280.11798	39.3
297.14456	94.8
299.56091	0.6
314.77570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69305	0.2
65.03927	0.2
72.08171	0.3
78.27941	0.2
78.75665	0.2
80.04147	0.2
84.04510	13.7
91.05486	3.6
95.04953	1.7
102.05553	0.3
119.04939	4.7
123.08045	0.3
130.05006	8.8
136.05142	0.2
151.07541	100.0
168.10193	10.8
234.11237	3.9
251.13927	1.2
279.13382	0.3
280.11789	10.9
297.14450	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	297.1129
Annotation	4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin
Peak:m/z	Relative Intensity
55.55628	0.4
71.30885	0.5
85.73947	0.6
97.66176	0.6
105.06977	0.6
107.04891	0.7
117.07024	0.9
121.06495	0.6
131.04922	29.1
133.06456	1.1
134.03586	1.1
137.05984	7.9
145.06514	6.1
149.05952	4.5
150.06711	0.7
161.05948	2.4
167.08513	1.0
173.05969	57.9
175.07544	3.1
180.17845	0.5
181.10091	0.7
183.80508	0.5
194.07274	2.2
195.08055	15.4
196.90074	0.6
197.09584	0.5
205.06473	2.3
209.09657	4.9
219.08067	3.7
222.06778	2.2
223.07538	28.2
227.10535	0.7
230.78108	0.6
236.08289	3.8
237.09081	26.0
240.07770	0.9
247.07510	7.3
251.10640	2.5
251.17874	1.0
255.10143	36.7
264.07770	2.6
265.08582	13.6
269.11700	1.1
279.07199	1.0
279.10135	21.8
282.08899	1.1
297.11194	100.0
315.22177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0757
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
55.01865	0.6
63.01680	0.7
65.71054	0.6
72.08133	2.7
80.53683	0.6
84.05607	1.4
91.05501	0.7
107.04961	57.1
119.04918	1.6
121.02888	9.4
123.04417	1.2
130.09607	0.7
131.04927	7.9
137.02319	1.5
147.04414	35.9
163.03867	1.0
175.03894	30.5
176.04701	9.2
177.01817	6.0
181.06415	1.5
195.08022	2.9
199.07578	9.3
205.04668	0.7
205.06534	3.1
213.09117	5.7
223.07536	15.3
226.06255	0.9
226.15573	1.4
233.05887	5.2
234.45105	0.7
241.08578	13.8
251.06982	15.0
269.08072	100.0
279.06580	6.3
297.07578	95.2
297.22849	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	297.0755
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
50.37521	0.3
53.32384	0.2
56.02710	0.2
68.99809	0.5
69.03429	0.3
69.03957	0.3
93.46642	0.3
107.04969	4.6
111.08057	0.3
119.04897	0.5
121.02872	1.7
131.04927	0.6
135.04419	1.9
137.12573	0.3
147.04396	3.4
165.06947	0.3
175.03886	2.5
176.04701	1.1
181.06447	0.4
187.07549	0.3
190.02609	1.1
191.03314	0.4
199.07516	1.2
203.03418	2.0
211.07559	1.1
213.05522	0.5
223.07533	1.7
227.07066	0.7
229.08551	3.5
232.17726	0.3
237.05342	0.4
241.08557	0.7
251.07007	2.1
255.06596	2.4
269.08072	3.6
279.06516	0.5
297.07581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.8
57.07098	21.8
60.29341	2.2
66.36823	3.0
67.05510	29.2
69.07074	30.2
71.08635	100.0
79.05474	14.6
81.07060	43.4
83.04970	4.5
83.08618	32.4
85.10160	13.0
91.05453	5.4
93.07031	17.6
95.08621	34.5
97.06534	13.3
97.10160	20.1
99.07516	3.7
99.08105	57.7
105.07003	2.8
107.08564	22.8
109.10190	23.3
111.08076	13.3
119.08537	10.9
121.10146	26.1
123.11725	4.7
123.42789	3.1
125.09628	4.5
127.11165	3.8
129.09180	3.3
131.08614	3.7
135.11716	22.1
136.91568	2.8
139.11186	6.6
147.11703	48.0
149.13229	14.5
153.12747	15.9
163.14856	12.7
165.12842	6.0
173.13298	3.3
181.15852	5.0
219.21143	27.4
237.22073	22.9
243.20984	6.0
255.23070	22.2
261.22153	15.8
278.21964	4.5
278.24921	3.2
279.23203	72.8
296.23056	4.8
296.25821	37.0
312.74643	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	296.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.64208	0.4
57.03407	0.5
59.04998	0.9
60.05656	4.1
62.27620	0.6
63.07380	0.5
67.05499	0.8
69.07059	2.3
70.06599	32.2
70.06982	1.1
71.04997	7.6
75.04476	1.1
79.05513	1.9
81.07059	4.5
84.05626	2.2
88.07620	2.8
91.05447	2.3
93.07051	25.3
95.04983	0.8
95.08588	1.2
97.06516	0.8
105.07067	0.8
111.04427	1.0
111.08091	1.1
112.08733	4.6
119.25529	0.5
121.10140	18.2
125.05978	2.1
130.08804	1.2
130.09776	31.4
131.08588	0.9
135.41676	0.5
136.41905	0.5
139.11163	2.3
149.09621	2.8
154.09764	4.8
167.10661	2.2
236.16438	1.3
261.07419	0.5
278.18579	0.8
296.19699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15445	0.6
56.03449	0.7
56.58730	0.7
57.03426	0.6
60.05645	4.6
60.06712	0.7
68.78072	0.7
70.06594	21.0
71.04997	7.7
75.04475	1.6
79.05489	1.5
81.07048	1.4
83.04998	1.2
84.05637	3.1
86.06073	0.8
86.27631	0.7
88.07625	3.5
93.07047	26.8
95.08626	1.0
106.01545	0.9
111.08081	3.5
112.08730	10.3
121.10155	15.2
130.09766	38.2
149.09673	1.3
154.09775	9.9
220.17448	0.8
278.18716	4.4
278.21686	0.9
281.08035	0.9
296.10208	4.5
296.19693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30788	0.7
55.05521	0.7
55.44275	0.6
57.03425	0.7
57.55214	0.6
60.05644	4.8
70.06236	1.3
70.06599	31.6
71.05000	7.1
72.08158	3.4
75.04476	3.7
78.29411	0.7
79.05471	0.9
79.89417	0.8
81.07053	5.1
84.05614	0.9
84.08150	1.0
88.07664	0.9
91.05479	1.7
93.07047	32.8
95.08595	1.3
97.02844	0.8
104.57595	0.9
105.07035	1.2
107.08620	0.9
111.08089	4.2
112.08730	6.3
113.03478	1.5
121.06533	0.9
121.10149	30.2
123.08086	0.9
123.11729	1.0
125.06041	0.9
129.32758	0.9
130.09770	41.8
131.08562	1.7
139.11226	1.4
145.46480	0.9
149.09633	3.7
150.10277	1.8
154.09726	3.6
157.13843	0.7
163.11018	1.1
180.72354	0.7
184.85860	0.9
211.07066	0.8
232.18062	3.6
237.12161	1.0
260.17548	3.2
278.18655	5.0
279.17020	8.2
296.19693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43754	1.0
69.07082	1.4
70.06597	27.6
71.05003	8.2
72.08153	1.3
79.05495	1.7
81.07056	6.0
83.14908	1.0
88.02246	1.7
88.07640	1.3
93.07050	6.8
95.04996	1.4
95.06065	1.7
95.08600	1.8
107.08606	2.4
112.08738	11.3
116.05318	4.8
121.10150	7.0
125.05991	1.9
130.09785	10.4
144.11314	1.3
149.09665	1.2
154.09702	1.8
167.10658	7.3
170.09647	1.7
191.61082	1.3
192.21619	1.1
200.12378	9.2
216.48874	1.1
229.64166	4.2
236.16411	7.8
254.17551	5.0
264.20715	4.4
273.04379	1.2
278.18552	5.9
296.19751	100.0
296.23376	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	296.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.9
57.03442	0.6
60.04538	0.6
60.08158	0.4
65.92166	0.4
68.05052	1.0
70.06596	2.4
71.04989	0.6
71.56319	0.4
72.08159	2.9
79.05502	0.9
81.07061	12.0
84.04513	0.9
84.05621	2.0
84.08150	2.3
84.18494	0.4
85.02912	2.1
86.09715	1.9
89.04270	0.6
95.06094	94.2
97.02989	0.5
97.06493	0.5
98.97530	0.5
99.04460	0.6
102.05598	0.5
104.05287	0.5
111.05598	0.4
113.02373	0.8
114.05502	0.7
120.01188	0.7
120.08129	2.6
121.08453	2.0
121.10227	0.6
129.10219	0.9
131.12979	0.5
139.03854	0.5
147.04440	0.8
148.04735	0.9
149.10741	2.1
150.07742	6.3
151.12318	10.0
161.11472	0.4
163.03807	0.7
193.13368	100.0
209.12788	2.4
232.08560	0.5
235.02332	0.8
252.20700	64.9
254.11363	2.2
255.11755	0.8
296.09735	0.6
296.14597	0.8
296.19937	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	296.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
61.00190	0.5
69.07065	0.6
70.06595	8.6
72.08161	24.9
77.58754	0.6
79.05522	1.0
80.05007	0.9
81.07031	0.8
82.06551	0.9
82.61397	0.6
84.05632	8.5
84.08144	7.0
85.04042	6.6
85.05310	0.9
85.05925	1.0
95.08600	1.2
96.08109	0.8
97.03986	2.8
98.06042	3.3
107.08576	1.0
108.04413	0.8
110.06025	1.0
115.08704	5.3
115.86008	0.7
119.08564	1.4
121.10105	0.7
126.05486	3.9
127.07819	0.9
127.08688	20.5
128.07034	1.3
135.07996	2.7
138.10257	0.8
139.08670	7.6
147.08018	0.8
162.09117	1.4
164.10661	1.0
165.10260	1.3
169.06042	3.4
176.10759	1.1
181.06064	3.4
191.11893	4.6
193.13348	1.4
194.11679	4.7
207.11359	0.8
208.09642	3.5
219.11276	5.0
222.12428	0.7
223.10832	11.2
226.15508	1.5
227.15810	4.5
233.16498	3.4
235.18065	6.0
237.12350	9.6
240.13448	13.1
261.15939	2.9
279.17044	87.3
293.65527	0.7
296.19647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30788	0.7
55.05521	0.7
55.44275	0.6
57.03425	0.7
57.55214	0.6
60.05644	4.8
70.06236	1.3
70.06599	31.6
71.05000	7.1
72.08158	3.4
75.04476	3.7
78.29411	0.7
79.05471	0.9
79.89417	0.8
81.07053	5.1
84.05614	0.9
84.08150	1.0
88.07664	0.9
91.05479	1.7
93.07047	32.8
95.08595	1.3
97.02844	0.8
104.57595	0.9
105.07035	1.2
107.08620	0.9
111.08089	4.2
112.08730	6.3
113.03478	1.5
121.06533	0.9
121.10149	30.2
123.08086	0.9
123.11729	1.0
125.06041	0.9
129.32758	0.9
130.09770	41.8
131.08562	1.7
139.11226	1.4
145.46480	0.9
149.09633	3.7
150.10277	1.8
154.09726	3.6
157.13843	0.7
163.11018	1.1
180.72354	0.7
184.85860	0.9
211.07066	0.8
232.18062	3.6
237.12161	1.0
260.17548	3.2
278.18655	5.0
279.17020	8.2
296.19693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	0.4
60.05647	0.4
70.06607	2.9
71.05004	6.5
72.46998	0.3
84.05639	21.6
90.59850	0.3
91.28453	0.4
93.07072	3.3
103.07253	0.4
121.10117	2.7
130.09787	5.0
136.08693	3.1
136.98608	0.4
149.09587	0.4
154.09760	57.2
191.31436	0.4
223.17973	0.4
226.15504	2.3
278.18631	8.3
296.19699	100.0
316.34360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1862
Annotation	Lycoposerramine F
Peak:m/z	Relative Intensity
51.09587	0.4
52.54066	0.4
55.12580	0.4
69.43419	0.4
69.48685	0.4
70.06564	0.5
72.08159	0.7
84.05620	1.0
84.08157	0.5
86.09693	0.7
113.39357	0.5
123.04367	1.9
132.82300	0.5
138.85521	0.5
150.09070	0.7
154.08678	0.5
154.09798	4.8
163.03871	2.0
164.07072	0.7
191.05722	0.6
194.11751	0.7
202.10982	2.0
215.11842	0.9
220.16904	2.0
222.12656	0.6
229.13307	3.0
237.13188	0.9
239.11453	0.6
252.15916	0.5
263.76236	0.5
264.05444	0.5
278.17523	2.5
280.36755	0.5
287.13873	1.2
296.09351	3.6
296.14825	3.4
296.18533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.186
Annotation	Lycoposerramine F
Peak:m/z	Relative Intensity
50.41742	0.5
55.05521	6.3
59.06345	0.7
67.05497	4.3
69.07056	1.2
70.06590	0.9
72.08163	100.0
73.93636	0.7
74.90696	0.7
81.07056	3.6
83.04990	51.4
83.55418	0.6
86.80342	0.8
95.04977	12.0
107.08559	1.4
109.06512	7.2
109.10170	9.1
116.07079	2.8
118.08663	50.7
123.11715	15.8
127.19348	0.7
133.10129	3.4
137.09637	19.3
141.05441	3.4
151.11194	31.5
166.12328	1.0
179.10678	16.8
197.11707	1.2
212.12723	0.8
232.16972	6.7
250.18011	53.1
278.17468	12.7
296.18573	95.1
319.37665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07697	0.2
63.97855	0.3
72.08148	1.0
80.98476	0.2
84.04488	0.6
90.34982	0.2
100.48829	0.2
114.10284	1.7
115.08680	0.4
115.10633	1.1
116.10995	0.3
120.08087	2.4
121.08476	2.6
131.04951	0.3
131.13017	0.3
133.02852	4.1
151.03926	0.3
161.01047	0.5
161.02339	10.5
163.03836	0.4
164.04251	2.5
165.04402	5.6
166.04677	6.6
166.08669	1.1
167.09035	0.9
175.03856	0.3
179.51288	0.2
193.04964	14.6
201.28326	0.2
222.05203	1.4
229.44958	0.2
233.09946	0.4
236.13712	0.3
237.07571	100.0
270.19803	0.3
279.14279	1.0
296.14920	11.4
296.17337	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	296.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.3
56.05033	0.3
60.08152	0.3
70.06586	1.3
72.07805	0.5
72.08160	7.8
73.02924	0.7
73.08500	2.1
81.14559	0.2
84.04523	3.7
84.05635	5.1
84.08154	0.4
85.04837	1.8
85.05322	0.2
85.05955	1.7
86.09713	0.3
87.04472	10.7
91.05480	0.4
93.07040	0.5
98.06050	0.4
101.07132	0.4
102.81476	0.3
117.39392	0.3
120.08112	8.0
121.08444	9.5
121.10226	0.3
130.05000	1.3
131.05008	0.5
132.05293	0.5
133.02835	0.4
138.10216	1.1
150.07751	0.7
150.77808	0.4
151.03908	100.0
155.12944	0.4
156.13420	0.3
166.08604	2.6
167.09007	5.1
187.09483	1.4
193.04976	3.0
208.06104	1.1
222.05234	7.0
224.13942	1.6
225.14252	4.8
233.09979	0.6
237.07579	39.0
250.19231	0.3
279.10519	0.6
279.17068	1.5
296.07675	1.5
296.14981	37.8
296.22104	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	296.1358
Annotation	N6,N6-Dimethyladenosine
Peak:m/z	Relative Intensity
52.32602	0.2
55.01864	0.3
57.03434	1.1
61.02921	0.3
69.03432	0.4
70.06577	0.3
71.01325	0.2
72.08149	1.0
73.02905	0.7
84.08138	0.3
85.02898	0.9
86.09695	0.8
97.02869	0.2
99.75741	0.2
105.07018	0.2
115.03928	0.9
120.08073	0.4
126.03769	0.3
133.04959	0.3
137.07912	0.4
144.04745	0.2
162.03101	1.3
164.09315	100.0
166.08577	0.2
176.04300	0.2
184.04329	0.2
222.09525	0.2
224.14066	0.2
273.74066	0.2
278.12161	0.9
296.13513	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03896	0.7
70.06532	0.7
71.29910	0.3
72.08129	1.0
72.69040	0.3
81.07020	0.5
84.08099	0.4
84.83495	0.3
86.09669	0.5
89.53691	0.3
91.05430	1.3
93.07021	1.0
93.36758	0.3
95.04902	0.4
109.02829	0.4
109.06485	0.5
119.04922	0.4
120.01001	0.3
121.02882	4.6
121.06425	0.4
134.08023	0.3
137.05983	2.2
139.03821	0.4
144.71237	0.5
149.02371	0.8
149.03415	1.2
150.07751	6.9
152.08128	0.4
153.08508	0.5
160.87279	0.3
165.01820	5.3
165.05429	0.8
173.40112	0.3
191.03522	0.3
193.01331	26.0
193.04922	0.7
209.04408	3.6
232.11641	0.6
237.03934	100.0
278.12238	0.7
278.14926	0.3
296.11334	29.7
296.19711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74395	1.4
56.17547	1.7
58.93810	1.3
71.06023	1.7
71.07384	2.0
81.05059	1.6
86.09708	17.7
89.49013	1.8
104.10035	2.6
104.10749	89.6
163.99326	6.4
236.99205	25.9
237.15251	10.5
296.06580	100.0
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	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.23378	3.0
55.01875	9.1
55.05507	17.7
55.43938	3.3
55.44222	4.0
57.07080	5.2
64.89678	3.1
65.41045	3.1
67.05523	26.5
67.05811	3.6
67.82518	3.3
69.07059	15.1
71.08643	49.7
72.08150	14.5
79.05500	18.4
81.07065	36.9
83.04977	19.6
83.08617	17.6
91.05466	23.1
91.12354	3.2
93.07037	42.8
95.04939	5.2
95.08601	37.9
97.06541	16.6
97.10150	6.9
99.08116	34.7
105.07008	19.7
107.08585	24.3
109.10151	21.0
112.08297	4.6
112.92298	3.7
113.09727	4.3
114.10294	8.7
114.32955	4.6
119.08611	6.9
121.10123	9.1
123.04457	5.5
123.11691	6.2
125.09619	14.7
133.10126	8.4
135.11688	15.4
143.08598	4.9
145.10150	5.3
147.11697	9.3
149.13240	4.7
151.11201	32.4
153.12743	4.4
161.13252	16.6
163.11200	8.7
163.14775	7.1
165.12822	5.3
167.10605	32.2
175.14793	5.3
179.14302	22.6
185.13231	4.9
194.64006	4.2
200.21388	4.0
235.14476	5.8
236.12758	26.0
241.19527	7.0
250.57655	3.9
259.20660	4.7
277.21661	100.0
295.17654	40.5
295.22910	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	295.2271
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.29548	1.0
51.41298	0.9
53.27011	0.9
55.01869	1.3
55.05514	5.4
57.03458	1.2
57.07077	2.3
67.05507	12.6
69.07082	8.2
71.08604	1.4
79.05489	8.3
81.07062	19.8
83.04986	2.7
83.08623	2.9
85.06542	1.3
91.05486	5.1
93.07047	11.5
95.04906	2.1
95.08606	18.7
95.90517	1.1
97.06533	5.7
97.10169	4.6
105.07036	7.5
107.08601	14.9
109.06538	2.6
109.10171	10.2
115.82040	1.4
117.07040	1.2
119.08566	5.2
121.10138	7.8
123.08088	2.3
123.11663	1.9
131.08574	2.0
133.10121	8.3
135.11691	12.2
137.09688	1.7
137.13226	1.8
143.08585	1.6
145.10109	1.8
147.11703	6.3
149.13249	5.3
151.11198	1.7
153.12787	9.2
161.13235	6.1
165.12752	4.1
171.11644	1.5
175.14784	2.2
179.14311	2.8
185.13268	1.3
199.14784	1.5
215.54666	1.2
221.15450	1.4
231.21080	2.0
241.19489	1.8
249.22176	5.6
259.20471	9.6
277.21634	100.0
295.22812	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	295.227
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
51.40808	2.0
53.03934	2.5
54.23740	1.9
55.01877	2.7
55.05520	9.4
57.07076	8.0
67.05510	30.2
69.07069	22.2
70.69401	1.8
71.08619	10.5
72.08156	2.1
78.77271	1.9
79.05508	15.4
79.05903	2.1
81.03432	23.1
81.07068	24.5
83.04985	9.0
83.08622	9.0
89.85815	1.7
91.05470	7.1
91.90946	2.0
93.07041	28.6
95.04970	23.4
95.08614	18.4
97.10175	6.9
105.07043	14.6
105.07669	1.7
107.08591	15.5
109.06516	4.3
109.10151	8.6
111.08077	3.8
114.10275	3.1
117.06989	3.9
119.08590	9.0
121.10120	4.6
123.08170	2.3
123.11648	2.2
125.09613	4.6
129.07030	2.4
133.09212	2.0
133.10078	14.8
135.11671	3.8
137.09641	2.2
143.08565	3.1
147.11687	10.1
149.13261	4.3
151.11171	24.3
161.09589	2.1
161.13263	11.7
165.05490	3.6
165.12808	3.0
171.11636	2.7
173.13266	1.8
175.14766	2.2
177.12762	2.2
199.14748	2.7
207.13841	2.6
231.21019	2.7
235.14343	2.1
236.12755	11.2
241.19528	3.8
259.20529	3.1
277.21637	100.0
295.17664	17.2
295.22882	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03957	1.6
55.01883	1.7
55.05525	11.9
57.07070	6.3
59.05001	1.2
67.05186	1.5
67.05514	28.7
69.07080	29.7
71.08622	5.1
79.05497	20.7
81.03429	32.4
81.07066	34.9
82.43358	1.1
83.04997	10.2
83.05430	1.2
83.08640	8.8
85.06554	1.9
85.10174	7.4
91.05482	13.6
93.07032	20.4
95.04977	30.2
95.08615	19.9
97.06542	1.1
97.10167	7.1
98.36053	1.1
99.08089	1.2
105.07054	14.4
107.04926	1.8
107.08601	17.7
109.06518	4.3
109.10166	15.2
110.54556	1.4
111.08099	2.2
111.11747	1.1
113.09637	5.0
119.08595	9.5
121.10128	8.6
123.08051	2.7
123.11662	9.2
125.09611	4.5
129.07040	1.8
131.08522	1.4
131.19655	1.1
133.10130	16.1
135.08057	2.0
135.11694	5.8
137.09581	1.4
147.11688	9.2
149.09651	1.6
149.13240	2.5
151.11176	26.8
153.09081	2.0
161.13208	4.8
163.14886	1.5
165.12732	13.8
168.92270	1.4
171.11690	4.4
173.13235	1.8
175.14865	1.7
179.14343	6.0
181.12244	5.5
193.12253	2.2
196.43523	1.3
207.13812	2.7
217.19566	1.8
231.21075	7.4
241.19456	2.4
249.22151	4.3
259.20581	7.6
277.21619	100.0
295.22778	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2272
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01887	52.1
55.05523	23.2
56.93831	1.3
57.03443	2.3
57.07076	2.0
57.35967	1.3
67.05514	23.0
67.67892	1.2
67.99458	1.3
69.03431	2.8
69.07052	11.7
71.04993	1.6
71.08618	7.8
79.05500	12.7
81.03413	2.1
81.07068	29.4
83.04982	8.2
83.08623	30.0
85.10165	1.7
91.05489	17.4
92.95029	1.4
93.07040	21.1
95.04942	3.6
95.08611	19.6
97.06554	11.8
97.10163	3.6
99.08091	9.3
105.07034	15.7
107.05000	1.7
107.08597	17.5
109.06511	6.1
109.10159	13.3
111.08089	88.0
113.09663	2.9
113.57320	1.4
117.06998	2.7
119.08596	15.0
121.10135	13.7
123.11692	3.2
125.09630	3.0
129.06995	1.7
131.08562	3.5
133.10138	25.8
135.08020	2.1
135.11684	8.6
137.09616	7.5
139.11176	6.8
147.11673	15.5
149.09613	7.6
149.13254	11.0
151.11169	18.2
157.10085	3.3
159.11691	3.3
161.13274	7.7
163.11200	1.9
165.12782	18.2
171.11633	1.9
175.11111	5.4
175.14778	2.1
179.14333	6.6
185.13252	2.9
200.26431	1.4
202.73224	1.4
220.33725	1.6
231.21059	1.9
241.19505	2.8
249.22105	2.5
258.02289	1.4
259.20581	9.4
277.18582	2.7
277.21640	82.4
295.22699	100.0
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	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01879	12.1
55.05521	16.9
57.07076	3.2
65.88659	1.9
66.04061	1.8
67.05511	39.6
67.07320	2.3
69.07076	20.0
70.00618	2.3
71.04987	2.2
71.06559	1.8
71.08637	30.5
79.05495	20.5
81.03397	3.8
81.07071	43.0
83.04982	9.4
83.08636	26.9
85.10180	3.7
90.89038	1.9
91.05485	13.6
93.07058	33.4
95.04970	9.7
95.08617	26.7
97.06534	15.2
97.10198	16.5
99.08109	21.9
105.07034	15.0
107.08606	22.4
109.06532	8.6
109.10179	22.8
111.08075	14.9
113.09638	5.1
117.06973	2.7
119.08572	16.1
121.10165	16.9
123.08103	3.1
123.11701	4.8
125.09633	12.8
131.08527	3.4
133.10170	15.9
135.11711	14.1
137.09633	5.0
139.11191	4.1
139.78867	2.3
143.08510	2.3
145.10121	4.4
147.11707	18.3
149.09607	2.4
149.13274	8.1
151.11186	19.5
153.12802	2.3
157.10164	2.6
160.03668	2.2
161.13283	13.3
163.11153	10.0
165.12759	14.3
173.13281	2.5
173.95374	2.2
175.14804	2.8
179.14302	8.5
185.13162	3.1
189.11221	3.8
219.17557	1.9
231.21091	8.6
241.19568	5.1
259.20605	11.2
277.21622	100.0
295.22717	58.4
301.64157	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	295.2271
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.09130	1.3
55.05510	9.5
59.42193	1.6
62.08518	1.4
67.05518	24.2
69.07065	11.2
69.43770	1.8
71.08637	39.6
75.85424	1.6
79.05494	23.6
81.03422	2.2
81.07063	35.8
83.04986	9.1
83.08630	8.8
85.06548	2.3
87.53671	1.9
90.85190	1.6
91.05469	17.5
93.07040	38.5
95.04956	3.8
95.08613	23.7
97.06506	3.6
97.10170	3.0
99.08093	26.6
105.07037	13.9
107.04962	3.7
107.08589	24.2
109.06499	2.5
109.10162	12.4
116.44350	1.5
119.08617	13.5
119.48606	1.7
121.10149	29.4
133.10121	10.1
135.11671	31.1
137.09634	1.9
141.09103	3.5
143.08572	2.1
145.10132	2.4
147.11673	4.0
149.13310	4.2
151.11209	14.8
153.12791	1.9
161.13303	14.5
163.11165	2.9
177.12770	3.1
179.14301	100.0
195.13800	2.5
235.16893	3.2
259.20477	2.3
277.21631	59.6
295.22757	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	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
50.20007	1.8
52.17234	2.0
55.01880	23.1
55.05522	30.3
57.03429	4.2
57.07082	8.8
67.05515	45.2
69.03429	4.9
69.06821	1.7
69.07074	27.9
71.04976	2.6
71.08634	21.2
72.08154	10.8
79.05499	37.7
81.03406	4.7
81.07068	66.4
83.04976	9.5
83.08618	38.1
85.06543	4.8
85.10184	3.9
91.05486	20.1
93.07043	48.1
95.04967	11.4
95.08605	47.5
97.02855	4.5
97.06543	13.1
97.10164	10.1
99.08099	12.1
105.07032	22.0
107.04848	3.0
107.08600	34.4
109.06489	4.1
109.10149	23.0
109.65328	2.2
111.08084	36.8
114.10309	16.2
117.07021	5.4
119.08572	10.8
121.10139	19.8
123.04421	10.9
123.08056	4.6
123.11736	4.4
125.09639	5.4
131.08569	9.5
133.06493	81.2
133.10135	35.1
135.11676	21.9
137.09605	4.0
139.11166	13.0
140.13034	2.2
147.11667	16.2
149.13275	16.1
151.07578	2.5
151.11154	12.2
153.12782	3.0
157.10118	8.3
159.11745	4.1
161.13255	10.9
163.11162	5.3
165.05510	9.0
165.12781	16.2
175.11278	3.0
177.12706	2.9
179.14444	3.9
189.11250	5.1
193.12183	3.3
195.13783	4.8
221.15297	3.0
231.99606	2.3
235.14285	4.5
236.12840	24.9
250.31992	2.3
259.20502	3.8
277.21628	87.7
278.14896	3.3
295.17725	40.6
295.22647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
51.89392	0.9
55.01879	2.4
55.05527	8.2
57.03441	1.2
57.07079	9.8
67.05508	20.9
69.07081	14.1
69.14143	1.0
71.08627	5.2
71.27278	1.0
79.05489	13.4
81.03452	9.9
81.07071	21.8
83.04984	7.3
83.08630	8.4
85.10188	29.7
85.12581	1.1
87.07362	1.1
91.05462	9.4
93.07043	18.5
95.04973	11.4
95.08621	17.5
97.06499	2.0
97.10156	4.9
99.08071	2.3
105.07020	7.2
107.04964	5.1
107.08618	11.5
109.06493	5.5
109.10165	12.0
111.08119	2.0
113.09650	21.4
119.08555	6.5
121.10130	6.9
123.08052	2.4
123.11701	1.9
125.09628	1.8
131.08543	1.7
133.10120	6.8
135.08032	1.5
135.11707	2.8
141.12709	1.3
143.08578	2.0
145.10117	1.4
147.11670	6.4
149.09608	6.6
149.13222	2.0
151.11169	7.6
152.11528	1.5
153.12724	1.7
161.13185	1.9
163.11160	2.3
165.12749	30.6
171.11699	1.6
175.11281	1.8
179.14333	1.7
189.00629	1.6
207.13776	1.8
236.12883	1.4
259.20483	1.7
277.21606	42.5
278.22037	4.9
279.86154	1.4
295.22690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
52.50300	1.2
53.00319	2.1
53.69615	1.3
55.05513	9.5
57.07086	28.3
61.93515	1.3
67.05514	19.0
69.07074	14.1
71.04993	1.8
71.08642	2.8
79.05518	18.3
81.03423	7.8
81.07070	29.1
83.04975	8.5
83.08611	11.0
85.10191	100.0
91.05486	27.9
93.07053	26.5
95.04950	9.1
95.08618	32.5
97.06542	3.1
97.10170	7.8
105.07036	20.7
107.04974	19.3
107.08601	13.0
109.06506	2.3
109.10165	6.2
111.08109	3.0
111.09035	1.5
113.09652	87.4
119.08582	9.7
121.10158	9.2
123.08054	3.2
123.11691	1.9
124.18687	1.4
129.07004	6.2
131.08580	3.3
133.10146	8.5
135.11717	3.4
143.08632	3.1
145.10091	2.7
147.11691	18.4
149.09633	11.5
149.13197	2.4
151.11197	6.6
157.10187	2.7
159.95712	1.5
161.13225	12.7
163.11203	12.9
163.14827	2.9
165.12753	65.0
167.14308	2.7
168.85725	1.6
171.11630	1.8
175.11191	10.4
175.14824	2.8
179.14323	2.3
181.12260	2.6
207.13618	1.9
216.39049	1.7
217.19638	1.6
241.19516	6.5
259.20642	11.1
277.21646	92.1
295.22797	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.78030	0.9
55.01881	9.3
55.05523	10.5
57.03434	1.5
57.07072	2.2
67.05512	22.1
69.03417	1.1
69.07077	15.7
71.04964	1.8
71.08637	25.5
72.59639	1.0
79.05508	15.4
81.03414	2.3
81.07065	31.6
83.04974	7.6
83.08620	10.3
85.06547	2.0
85.10157	1.4
91.05468	10.1
93.07043	24.7
95.04955	9.0
95.08602	17.6
96.57182	1.2
97.06540	7.9
97.10144	5.1
99.08106	13.5
105.07024	11.1
107.08607	15.2
109.06482	4.2
109.10157	12.7
111.08067	10.2
113.09650	4.2
114.73592	1.1
117.07012	1.7
119.08586	13.2
121.10157	15.0
123.08062	1.8
123.11697	6.7
131.08533	1.6
133.10114	9.8
135.11714	6.6
137.05957	6.3
137.09621	10.6
139.11176	5.6
143.08588	1.3
145.10120	2.2
147.11710	14.4
151.11160	18.7
153.12704	2.6
159.11710	1.8
161.13258	5.1
163.11147	4.4
165.12735	9.5
171.11613	1.4
173.13203	1.3
179.14270	6.3
185.13310	1.5
193.12332	1.2
221.15379	2.0
249.22141	1.3
259.20517	2.3
277.18515	2.6
277.21616	59.8
295.22668	100.0
310.28061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.00302	1.1
55.01876	1.0
55.05519	12.3
57.07088	9.3
60.58704	0.7
65.42762	1.0
67.05510	16.2
68.61037	0.9
69.03420	2.0
69.07073	12.8
69.61809	0.9
71.04967	1.4
79.05505	13.3
81.03415	10.0
81.07059	19.3
83.04985	8.9
83.08633	7.3
85.10189	18.7
91.05494	8.2
92.17847	1.3
93.07049	13.6
95.04984	14.9
95.08626	10.1
97.10160	6.0
105.07027	7.8
107.04964	2.1
107.08602	10.8
109.06476	1.5
109.10159	8.0
109.23531	1.0
111.08025	1.4
113.09635	10.9
119.08577	6.6
121.10192	3.2
123.08070	2.3
123.11716	1.0
125.09583	4.0
129.17632	1.0
131.08557	1.7
133.06506	14.0
133.10136	6.0
135.11662	3.9
137.09605	1.0
147.11661	4.4
149.09616	4.8
149.13188	1.8
151.11171	7.4
153.12729	1.0
159.11597	1.1
161.13315	2.1
165.12752	26.3
167.14276	1.4
179.14345	2.3
259.20779	1.2
277.21616	38.9
295.22675	100.0
298.98718	0.9
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	13-OxoODE
Peak:m/z	Relative Intensity
55.05524	37.6
59.49211	3.7
63.92228	3.8
65.54803	4.8
67.05521	47.5
69.07072	17.2
71.08638	51.4
72.08157	21.4
79.05501	24.3
81.07058	61.5
83.02221	4.1
83.05017	4.7
83.08628	76.8
85.10207	4.7
88.46236	5.1
91.05474	25.5
93.07041	27.9
95.04967	7.8
95.08620	28.0
97.06528	7.0
97.10162	5.6
99.08089	31.4
105.07018	22.8
107.08593	29.4
109.10172	18.9
111.08087	22.4
114.10305	22.4
115.08713	7.1
117.07140	5.2
119.08603	21.5
121.10155	27.1
123.04440	8.8
123.11694	6.4
131.08571	6.1
133.10126	32.1
135.11694	11.4
137.09618	5.2
145.10168	9.8
147.11673	24.1
149.09669	5.9
149.13281	9.0
151.11241	32.8
157.10077	6.5
161.13283	9.0
163.11153	22.7
165.05482	6.9
165.12682	6.4
193.15840	5.7
235.14539	10.0
235.16748	6.0
236.12846	34.1
241.19608	8.0
249.22127	6.2
259.20605	23.7
277.21594	100.0
288.03452	6.1
295.17590	63.3
295.22610	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01917	3.1
55.05513	4.0
57.03466	0.5
57.07116	1.0
67.05515	7.6
69.07074	3.9
71.05025	0.6
71.08637	5.2
76.86096	0.5
79.05497	4.8
81.07060	13.4
83.05019	1.9
83.08643	4.9
85.06544	0.5
85.10225	0.5
91.05461	3.4
91.64635	0.5
93.07044	9.4
95.05025	2.0
95.08616	14.9
95.09142	0.8
97.06538	6.0
97.10188	1.1
99.08090	3.7
105.07044	6.8
107.05007	0.7
107.08604	6.5
109.06505	3.9
109.10166	6.4
111.08070	3.5
117.07015	0.6
119.08573	6.0
121.06529	0.5
121.10149	4.2
123.08064	6.2
123.11759	3.4
125.09669	0.9
131.08627	0.9
133.10136	6.1
135.11726	4.0
137.09671	2.0
137.13313	0.7
145.10182	2.3
147.11703	6.2
149.09630	1.0
149.13297	2.1
151.11169	3.6
151.14845	0.7
153.12804	1.2
159.11699	1.1
159.42914	0.5
161.13217	4.0
165.12811	1.1
173.13275	0.6
175.14862	2.3
179.10887	1.5
179.14288	8.1
180.14684	1.1
185.13330	1.1
188.57864	0.6
189.12689	0.6
193.15956	0.6
221.15417	1.9
231.21175	0.8
235.16910	2.4
249.22156	2.3
259.20468	3.6
277.21628	100.0
278.21967	1.8
295.22629	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01871	17.4
55.05508	18.6
67.05508	52.0
69.07059	19.9
71.08633	20.6
72.18826	7.3
79.05502	38.1
80.07883	7.6
81.07058	60.5
83.08621	18.0
89.70245	7.5
91.05498	28.4
93.07024	64.5
95.08603	54.2
96.38514	7.9
97.10135	10.0
98.98536	8.4
105.07010	40.2
107.08572	33.4
109.10164	11.6
111.08074	38.9
117.06968	8.9
119.08579	15.7
121.10142	11.3
123.04416	14.5
133.10176	17.9
135.11620	11.0
135.20259	9.5
143.08604	9.7
145.10037	9.4
147.11726	13.3
165.12772	10.3
171.10173	9.8
177.00180	10.3
185.13243	10.5
235.14291	9.0
236.12845	10.6
240.31624	8.0
277.21667	100.0
295.17743	43.1
295.22726	92.2
315.85278	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.34208	3.6
54.19236	4.2
55.01869	5.6
55.05515	15.2
55.16203	3.8
57.03455	32.8
57.07074	5.5
67.05512	46.8
67.99737	4.2
69.07076	16.0
79.05486	32.2
81.03407	5.6
81.06621	3.9
81.07063	90.5
83.08617	18.1
85.10168	6.9
91.05492	19.2
93.07030	42.7
95.04978	4.9
95.08607	64.0
97.06530	9.9
97.10172	6.5
105.07027	18.3
107.08614	33.5
109.10159	26.5
111.08064	4.6
112.66603	5.2
119.08562	10.4
121.10106	28.8
123.04467	4.4
125.09583	5.8
128.98013	4.5
131.08592	7.1
133.10138	18.9
135.11707	26.2
137.13329	6.2
147.11699	16.4
149.13251	7.4
151.11166	9.8
152.51889	4.6
159.11755	5.0
161.13254	6.9
165.12724	9.6
173.13225	4.1
187.14790	7.2
205.15828	6.7
221.19218	5.3
259.20599	8.6
277.21655	100.0
295.22806	91.6
311.00061	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	295.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04699	0.5
53.22356	0.5
55.05497	1.1
56.05041	0.6
60.05656	1.0
61.02930	0.7
69.03431	1.2
69.07049	0.6
70.06572	3.2
71.04985	0.7
72.08161	53.1
73.02905	0.8
84.04522	12.4
84.05635	36.8
85.02911	12.1
85.06416	0.8
86.09734	0.6
87.08112	3.7
91.03963	0.7
96.04435	0.6
97.02882	3.0
98.06020	1.2
103.05473	0.6
107.04942	1.2
109.02861	0.7
110.07193	2.4
112.08714	0.7
113.09518	2.4
114.09148	2.8
117.54749	0.5
120.08112	39.8
120.63719	0.5
127.03916	2.8
130.05005	2.9
131.04915	1.4
134.03600	0.6
138.10255	3.8
145.04967	3.9
149.05972	0.7
149.99406	0.6
155.12917	2.6
162.03133	1.3
163.03888	3.6
166.08635	15.8
166.09930	0.9
177.09026	0.6
178.13441	4.4
186.09117	4.2
206.12868	1.1
224.13947	43.0
232.09663	3.5
233.10471	1.2
267.06494	3.9
277.65012	0.9
278.10141	1.1
278.18668	3.9
286.16562	3.0
292.87585	0.6
295.06049	3.1
295.13025	4.2
295.21301	100.0
305.19650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73394	0.2
60.05640	0.2
72.08161	29.5
84.05635	19.0
85.06408	0.9
94.84077	0.2
95.08607	0.4
96.05565	0.3
98.07143	0.2
102.93065	0.2
110.07172	1.5
112.08722	0.3
113.09518	2.8
138.10286	1.7
140.11836	0.4
155.12955	3.3
162.28908	0.2
178.13376	2.8
179.18785	0.2
180.14952	0.4
206.12854	1.6
218.15352	0.3
224.13943	43.0
278.18674	2.6
295.21292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58395	0.7
55.05512	1.9
59.84559	0.8
64.04453	0.7
69.41252	0.8
70.06602	7.8
72.08164	68.0
75.61031	0.8
81.07047	1.9
82.02937	0.9
84.04511	1.7
84.05640	12.3
84.08144	3.8
86.09717	2.5
93.07030	4.0
98.06045	3.0
102.05557	1.6
110.07130	1.1
114.10279	4.6
115.08659	1.0
119.08560	3.0
120.07262	1.5
120.08111	40.7
121.10145	1.8
123.07936	1.5
130.04973	1.6
136.07591	1.6
136.11229	1.4
136.89384	0.7
137.08382	3.7
138.06615	1.9
140.08133	1.1
141.10333	0.7
146.09726	0.9
147.08026	1.8
148.06062	3.6
148.11151	1.4
150.09123	3.4
151.03839	1.3
155.12901	0.8
156.07605	0.9
158.01799	0.8
163.03969	1.1
164.10719	15.1
166.12247	4.7
176.10735	15.7
193.01318	1.4
206.12918	9.0
209.14003	1.2
218.13297	1.5
218.15405	38.1
224.13960	12.4
235.18141	6.3
236.16344	1.2
253.18839	1.0
254.11388	5.2
277.20224	10.7
295.05853	1.1
295.09613	1.3
295.13235	12.0
295.17725	3.7
295.21283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.213
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03431	0.6
60.05643	1.1
68.57043	0.5
70.06578	1.1
72.08159	36.3
72.78042	0.5
81.07024	0.7
84.04489	0.8
84.05630	19.5
84.08154	1.2
85.02888	0.7
85.06417	0.6
86.09690	0.9
95.08581	0.9
97.02868	0.7
110.07130	1.3
113.09470	2.3
114.10288	0.9
117.02121	0.6
119.08591	0.8
121.99397	0.6
138.10255	1.3
151.03806	0.5
155.12892	3.5
178.13358	2.8
180.14861	0.7
189.01875	1.1
206.12994	0.7
207.02863	7.6
218.15436	0.7
224.13945	40.1
236.16544	0.6
260.09027	0.7
278.10168	0.8
278.18555	2.7
295.12790	4.2
295.21268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81406	0.3
63.00610	0.2
72.08163	30.1
84.05634	20.7
85.06391	1.3
88.03289	0.4
95.08585	0.5
98.07179	0.3
101.70753	0.3
110.07153	1.8
111.80127	0.3
113.09492	1.9
120.08110	1.2
138.10258	2.1
140.11877	0.4
143.62962	0.3
155.12906	3.3
178.13402	4.3
180.14989	0.6
206.12941	1.4
224.13940	41.3
278.18628	2.8
295.21289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42298	2.5
55.01879	5.3
55.05521	36.6
57.03447	20.3
57.07077	5.2
67.05180	3.8
67.05513	78.4
69.07079	28.3
71.04990	5.3
71.08630	22.5
79.05498	54.1
81.03442	6.4
81.06602	4.2
81.07065	100.0
83.04971	18.5
83.08629	58.7
83.68912	2.3
85.06552	17.6
88.86520	2.8
91.05487	57.3
93.07053	70.9
95.04971	23.6
95.08607	67.6
97.06550	29.3
97.10175	17.4
99.08091	17.3
103.03955	3.5
105.07037	36.5
107.08607	39.8
109.06519	11.7
109.10155	26.5
111.08076	24.6
113.09669	3.9
117.07018	16.9
119.08585	64.4
121.06480	3.4
121.10165	28.8
123.08052	18.6
123.11702	14.1
125.09628	10.6
126.43600	2.8
129.06987	10.6
131.08562	21.3
133.10135	25.1
133.88045	2.9
135.08028	3.8
135.11699	14.8
137.09625	13.3
139.07584	2.7
139.11160	4.1
143.08585	19.6
145.10114	9.5
147.11696	14.0
149.13280	4.2
151.11194	14.9
157.08585	4.5
157.10152	4.8
159.11697	5.6
161.13235	20.3
163.11229	3.9
165.12767	17.2
175.09703	13.5
175.14865	26.5
179.14375	4.6
185.13266	36.7
189.11282	5.2
203.14325	25.5
221.15434	13.5
249.22198	4.3
259.20554	5.9
263.20151	2.6
277.18460	4.2
277.21634	80.7
295.19049	76.7
295.22650	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	295.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21800	2.5
55.01887	21.6
55.05511	20.8
57.03449	26.0
57.07072	4.7
63.75155	2.6
67.05192	2.8
67.05518	56.7
69.07061	26.8
71.04989	3.8
71.08630	28.3
79.05499	41.5
81.03428	5.0
81.07066	74.5
83.04982	14.6
83.08627	33.0
85.06545	6.7
85.10182	7.4
91.05484	53.4
93.07047	69.2
95.04971	14.5
95.08613	56.6
97.06545	32.0
97.10151	3.6
99.08114	24.6
103.03938	5.6
105.07020	29.9
107.08592	32.7
109.06514	6.1
109.10160	22.6
109.87968	3.7
111.08092	33.5
113.09637	6.6
117.07050	6.3
119.08582	67.0
121.10167	23.8
123.08064	18.7
125.09641	5.3
129.07024	6.9
131.08591	19.3
133.10136	30.2
134.87080	3.0
135.08041	2.9
135.11691	6.6
137.09616	6.1
139.07547	3.7
143.08531	12.2
145.10161	12.4
147.11696	20.0
149.09651	7.3
149.13284	5.6
151.11176	21.3
157.10173	5.9
157.18204	3.3
159.11685	18.5
161.13284	21.8
162.31267	3.1
163.11186	4.4
165.12723	24.7
171.11702	3.6
173.13206	4.2
175.14883	17.4
179.10683	3.6
179.14320	12.6
185.13219	40.1
203.14471	26.8
221.15520	5.5
241.19566	5.2
259.16763	3.7
259.20657	5.8
277.18143	14.4
277.21640	68.4
295.19067	100.0
295.22705	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	295.1905
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
52.15765	0.6
55.05510	2.0
57.07083	1.0
58.14883	0.8
58.63875	0.8
65.47233	0.7
67.05527	6.4
69.07056	3.7
71.08631	1.3
72.08149	5.3
74.87818	0.8
79.05490	2.1
81.07071	14.2
81.67290	1.0
83.08650	1.7
88.76789	0.9
91.05472	2.0
93.07050	3.8
95.08594	6.2
105.06992	1.5
107.08588	5.9
109.06527	5.8
109.10152	1.6
111.04447	13.6
111.08076	1.3
114.10288	5.4
115.08677	1.1
119.08546	2.2
121.10145	6.2
123.04443	4.8
123.11700	1.1
125.05979	3.6
133.10141	3.9
135.11697	1.9
137.05989	100.0
147.11690	4.2
149.09602	1.8
149.13295	1.1
151.07565	1.2
153.09018	1.1
156.36357	1.0
159.11739	1.4
159.22346	0.8
159.55997	1.1
161.09634	4.9
161.13266	1.4
163.11200	3.5
165.05481	4.1
165.09093	1.5
165.12807	1.3
171.47183	1.0
175.11174	2.3
175.14787	1.4
179.10751	1.0
189.12766	1.5
203.17990	5.6
213.16405	1.8
221.18913	1.2
231.17465	5.3
235.14442	4.4
236.12863	9.9
249.18478	6.7
277.14993	1.9
277.18008	49.1
277.21268	2.2
278.14862	1.7
295.17810	15.8
295.22760	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	295.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	18.8
79.05481	14.6
81.07056	41.1
83.04977	11.9
85.06548	9.4
91.05480	18.6
93.07045	61.9
95.04899	7.7
95.08590	54.3
97.06523	17.9
105.07012	13.8
107.08584	9.7
109.10146	15.8
117.01234	8.3
119.08567	51.4
122.73892	8.0
123.01690	7.6
131.08531	9.3
159.11580	11.1
175.14896	12.1
185.13200	31.7
203.14304	13.2
253.68050	7.7
277.21509	8.9
295.19012	100.0
295.22339	15.9
295.31119	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33269	3.5
54.01038	3.6
55.05512	5.9
57.03452	30.2
67.05511	42.0
69.07085	7.4
70.50365	3.4
79.05497	34.3
81.07069	52.0
83.04989	8.3
83.08654	5.1
85.06551	7.9
91.05480	53.0
93.07059	64.0
95.08602	30.2
97.06529	31.0
105.07027	22.1
107.08585	17.9
109.06512	4.6
109.10160	15.4
117.07011	19.7
119.08589	67.6
121.06462	4.6
123.08090	16.2
129.05486	8.0
129.07097	4.9
129.13963	4.2
131.08582	18.7
133.10103	17.6
137.09644	9.0
143.08560	8.0
147.11694	6.8
159.11693	24.1
161.13255	10.0
173.13278	7.4
175.14844	17.3
177.12881	4.6
185.13252	33.6
203.14297	17.0
221.15392	5.4
294.99731	3.9
295.19104	100.0
295.30963	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50519	2.1
55.01880	5.1
55.05515	23.0
55.05738	2.8
57.03441	26.9
57.07075	20.5
67.05507	62.1
69.07071	22.4
71.05012	3.8
71.08622	4.2
77.44102	2.7
79.05499	46.7
81.06589	4.5
81.07055	73.1
83.04967	16.6
83.08615	12.7
85.06544	10.4
85.10165	10.9
91.05482	62.9
93.07042	63.8
95.04955	15.4
95.08054	3.3
95.08609	54.4
97.06530	27.9
97.10198	5.9
99.08082	3.2
103.03974	3.5
105.07040	32.9
107.08612	25.4
109.06512	5.1
109.10153	22.2
111.08076	12.6
113.09637	6.1
117.07026	13.2
119.08585	83.5
121.06531	4.3
121.10156	19.2
123.08053	11.5
123.11717	3.1
125.09625	3.6
129.06979	11.6
131.08562	17.9
133.10158	23.8
135.08057	4.7
135.11664	6.5
137.09592	13.4
143.08557	14.7
147.11697	5.8
149.09586	3.8
151.11189	11.8
157.10046	5.3
159.11693	16.1
161.13206	20.1
165.12762	17.4
167.87469	3.2
173.13234	6.2
175.11229	4.5
175.14752	30.9
179.14323	12.4
179.26915	2.4
185.13222	40.1
189.11209	4.4
195.13762	2.7
203.14288	32.6
221.15370	4.2
251.60069	2.7
276.23154	2.9
277.21677	41.0
295.19055	100.0
295.22672	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	13.1
55.05525	18.5
57.03447	20.2
57.07080	3.0
67.05189	2.0
67.05516	47.6
69.03442	1.5
69.07078	17.2
71.04994	4.7
71.08632	7.7
79.05502	40.9
81.03423	6.1
81.07066	59.7
83.04984	15.9
83.08625	17.2
85.06551	15.0
85.10191	7.0
85.16479	1.2
91.04935	2.6
91.05487	56.3
93.07051	67.2
95.04982	13.4
95.08616	51.4
97.06534	19.6
97.10182	7.4
98.09553	1.2
99.08086	5.6
103.03947	8.4
105.06389	1.5
105.07047	28.5
107.04938	2.2
107.08608	28.3
109.06520	6.1
109.10141	14.9
111.08100	14.2
113.09651	2.5
117.07053	20.2
118.83855	1.4
119.08589	81.6
121.06509	2.6
121.10158	18.2
123.08069	9.5
123.11703	2.3
124.38901	1.2
125.09608	5.2
129.05487	6.9
129.07011	11.3
131.08580	17.4
133.10141	24.5
135.08040	2.1
135.11723	6.8
137.09637	10.3
139.07593	1.6
139.11192	1.5
143.08574	15.4
145.10182	4.7
147.11687	10.5
149.13278	2.4
151.11203	5.4
157.10077	8.5
159.11688	19.0
161.09595	1.5
161.13283	19.4
165.12703	8.8
173.13312	5.4
175.11153	7.6
175.14827	27.4
177.12805	4.9
185.13258	49.4
187.14854	2.6
189.11224	1.4
193.15901	1.6
198.63954	1.4
203.14334	35.6
221.15312	5.7
241.19640	1.6
265.07950	1.5
277.18265	2.5
277.21664	31.3
295.19077	100.0
295.22687	42.4
306.12976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35402	0.4
60.05640	0.8
72.08164	25.5
73.04055	0.6
74.00706	0.3
97.07671	4.2
98.06046	1.8
102.31213	0.4
106.72417	0.4
108.79269	0.3
114.10298	29.6
115.08703	9.2
123.04429	21.8
131.12924	0.5
137.05975	0.4
141.24628	0.3
149.35304	0.4
154.83803	0.4
165.05481	24.9
170.55374	0.4
194.08200	0.6
235.14423	18.2
235.16718	0.8
236.12827	53.9
253.15515	2.3
278.15039	15.3
278.17960	0.8
295.17670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78593	0.5
55.05505	2.8
60.05639	2.8
62.50920	0.5
68.23405	0.5
70.06593	3.2
72.08161	14.9
84.04506	3.2
84.05636	2.9
84.08131	3.1
85.02908	0.9
86.09698	2.6
86.21621	0.5
89.10782	0.6
97.02875	2.1
97.07649	4.0
98.06064	18.6
98.87041	0.5
100.07629	2.3
101.07968	1.1
102.05558	1.0
113.10763	2.4
114.05509	1.0
114.09161	6.5
114.10297	24.4
115.08694	17.0
119.04913	0.8
120.08108	38.0
121.06503	3.3
123.07923	2.7
128.07088	6.8
129.07396	3.5
129.10257	1.0
130.04994	3.4
131.12926	2.1
141.67436	0.5
142.05035	0.8
147.04419	75.1
148.06090	4.0
151.03960	0.7
154.96425	0.5
156.11322	2.1
157.10849	74.3
159.07684	0.7
163.03882	2.9
163.08679	0.7
165.01881	0.6
167.84084	0.5
173.13997	3.6
176.10709	0.6
181.05081	0.5
194.08034	0.8
195.64001	0.6
201.00722	2.1
206.09259	1.2
207.02888	0.9
215.02167	0.6
217.13348	9.9
218.11769	7.7
219.14804	0.6
225.98004	1.3
232.09769	0.7
235.14359	1.1
253.18330	0.5
254.11383	3.4
260.13913	11.7
277.11887	0.8
277.16623	10.7
278.10065	0.9
295.12906	14.3
295.17648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
59.55910	0.4
66.37576	0.5
72.08165	28.1
73.06528	0.7
89.71735	0.6
97.07629	3.5
98.06055	0.8
110.76083	0.8
114.10296	30.0
115.08695	9.9
119.38308	0.6
123.04436	29.4
125.76980	0.5
131.12938	0.6
165.04109	1.1
165.05479	26.7
165.06854	1.2
186.12477	0.5
194.08002	0.6
208.66325	0.5
222.49504	0.6
235.14420	18.1
236.12817	53.3
253.15546	0.8
278.15009	14.1
295.17667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1291
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
56.05032	0.5
57.23745	0.2
70.06596	1.0
72.08143	1.7
76.86607	0.2
81.94711	0.3
84.04510	27.6
84.08150	0.5
85.02929	0.3
86.09690	0.5
93.07031	0.3
96.43565	0.2
97.08553	0.2
98.06050	0.3
102.05566	0.5
103.05461	3.3
107.04948	2.5
114.10293	1.0
115.07558	0.2
115.08694	0.5
120.08105	100.0
121.06574	0.3
130.05009	6.5
131.04933	6.6
131.12924	0.5
147.04427	2.6
149.05977	2.7
157.10931	0.4
166.08635	43.9
186.09134	7.6
201.13596	0.3
231.11267	0.3
232.09700	6.1
260.13983	0.3
263.14032	0.3
271.46710	0.3
277.12012	0.3
278.10220	4.8
295.12921	12.7
295.17645	5.1
301.85532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
55.05519	0.6
65.89877	0.2
67.05508	0.7
69.03432	2.1
69.07066	0.7
69.29402	0.3
71.04981	0.7
71.08630	0.4
72.08160	0.5
73.02897	0.5
75.21242	0.3
79.05479	1.6
81.03419	0.7
81.07061	1.9
83.05000	0.3
83.08633	0.5
85.02907	1.4
93.07049	1.4
95.08638	1.0
97.02894	7.7
97.06528	0.6
99.04462	2.1
105.07063	3.3
107.08617	5.2
109.02899	0.5
109.10150	0.5
114.10276	1.2
121.10182	0.3
123.04447	0.6
123.08061	1.9
127.03896	3.6
133.06499	100.0
135.11691	0.6
145.04941	0.6
151.07535	3.7
165.05478	1.1
191.79927	0.3
217.14563	0.3
231.31996	0.3
235.14548	0.5
236.12831	1.9
277.10727	1.7
277.21729	1.5
295.11829	3.8
295.17612	4.0
295.22693	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	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
54.66051	1.0
55.01870	1.4
57.03445	49.5
57.56443	0.9
61.02930	14.9
66.62440	1.2
69.03435	48.7
71.01342	7.5
72.08120	2.0
73.02923	100.0
75.10419	0.9
81.03410	5.1
81.07066	1.1
85.02910	80.6
87.04491	9.5
95.08582	1.4
97.02896	80.1
99.04467	5.6
103.03934	1.5
109.02887	6.8
114.10271	2.2
115.03935	72.8
123.04417	1.4
123.62300	1.0
127.03930	17.4
128.46780	1.1
133.04958	15.7
145.04961	18.0
150.21895	1.3
163.05971	7.8
165.05498	1.9
170.09677	2.6
186.38689	1.1
223.06082	4.4
236.12799	5.7
241.07100	5.1
259.08240	1.5
294.70410	1.9
295.10074	4.8
295.17609	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	295.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.2
66.82217	0.2
67.05507	0.4
70.06578	1.3
72.08154	0.7
73.02904	0.3
83.04988	1.1
84.04497	0.6
84.08146	4.2
85.02895	0.5
85.08471	1.5
86.09698	1.4
93.03416	0.4
93.04534	4.5
95.04961	1.8
95.06094	3.2
97.02891	0.4
110.07155	4.3
111.04441	1.5
112.07619	2.1
115.02200	0.3
116.07106	0.3
121.03989	100.0
127.46989	0.3
129.10249	0.6
130.08624	0.3
132.95816	2.9
136.06047	0.3
137.05904	0.4
137.83401	0.3
139.05031	59.1
140.07042	0.6
142.63707	0.3
144.95856	0.4
150.96928	0.5
151.60074	0.3
152.08188	4.9
158.97333	0.4
161.04733	0.4
163.06178	0.2
174.96877	5.2
180.07692	3.1
186.96826	0.5
210.03885	0.3
214.08737	0.5
216.98059	0.4
231.01074	0.3
231.11316	1.6
231.14220	0.4
234.99062	2.2
277.08710	0.5
277.11862	3.9
277.14700	0.6
295.09274	25.5
295.12976	1.9
295.18924	1.0
313.14120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0603
Annotation	Euplectin
Peak:m/z	Relative Intensity
69.74026	0.2
70.26292	0.2
83.95435	0.2
144.08130	0.3
163.03822	0.5
165.05521	0.3
165.06857	0.4
170.09627	1.7
171.10065	1.0
202.14574	0.3
236.12775	0.4
239.07033	1.5
242.85202	0.2
267.06522	100.0
294.70279	1.6
295.06024	70.6
295.17529	1.0
295.20663	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0615
Annotation	Euplectin
Peak:m/z	Relative Intensity
59.89320	1.2
63.31411	1.3
69.67447	1.2
73.70180	1.5
79.47772	1.4
85.02898	3.3
98.97562	2.4
100.20364	1.6
104.10710	6.7
108.64680	1.6
136.94025	5.9
145.01611	2.2
161.02963	2.4
161.04251	1.6
161.99489	1.4
162.99774	2.3
174.96800	1.5
180.92862	1.5
213.00551	2.3
213.21927	1.5
236.02254	3.3
236.14946	34.7
237.98981	1.7
249.02701	2.7
253.05289	1.4
254.11183	3.1
263.06039	2.4
272.04428	1.6
295.06335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	42.1
69.03434	12.1
84.05629	17.3
85.02914	48.6
98.97589	15.1
99.12163	12.2
100.85790	11.4
114.35198	11.2
120.08117	25.0
121.01680	21.4
132.95821	45.4
151.00684	13.9
164.82428	11.4
169.01715	14.7
174.96912	74.6
186.96925	18.8
187.02800	11.8
194.99707	20.2
209.03279	13.4
213.00751	46.6
231.01794	100.0
233.03435	11.0
234.98946	20.7
236.02190	12.3
236.14949	88.5
249.02798	90.2
250.40613	11.6
254.03357	17.7
254.11298	18.9
267.03842	17.9
272.04437	24.2
295.02319	91.6
295.06528	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	294.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.8
56.46385	1.3
57.03443	1.3
57.07090	1.6
67.05512	14.1
69.07065	9.4
71.08637	100.0
71.69377	1.6
79.05505	13.2
79.57834	1.4
81.07065	28.1
83.04993	3.4
83.08625	9.1
91.05476	11.7
93.07037	24.3
94.16380	1.4
95.04949	6.6
95.08603	26.8
97.06543	5.1
97.10160	2.1
99.08101	59.5
100.07590	2.0
105.07044	13.2
107.04984	3.4
107.08609	12.5
109.10148	7.7
111.08103	1.8
113.09666	1.6
114.09187	1.6
116.10754	1.7
117.07004	2.6
119.08597	16.7
121.10160	11.4
123.08051	2.3
129.06985	2.6
131.08566	6.0
133.10167	10.8
135.11694	16.3
137.09625	3.1
137.13248	2.3
139.07562	2.2
141.12813	2.5
143.08508	3.3
143.76491	1.5
145.10156	13.2
147.11700	3.6
149.13217	2.5
151.11176	44.9
153.12700	2.1
157.10197	3.0
161.13266	32.4
163.11194	14.5
165.12714	2.3
171.11702	2.8
173.13274	1.8
175.14815	9.4
179.14296	29.8
196.16966	42.6
217.19493	2.9
241.19516	12.3
259.20560	26.9
276.20645	1.5
276.23251	10.3
277.21622	34.8
294.21353	5.9
294.24271	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	294.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	2.5
55.01888	2.8
55.05514	16.7
57.07081	4.2
60.99341	2.4
67.05518	40.0
69.03435	3.8
69.07073	40.4
71.08631	3.7
79.05504	25.9
79.10799	2.6
81.03439	29.8
81.07069	39.4
83.04981	15.5
83.08612	14.3
91.05471	13.3
92.04234	3.0
93.07048	38.3
95.04976	41.1
95.08611	25.6
96.65512	2.6
97.10166	17.1
99.08098	4.6
105.07051	19.8
106.31655	3.3
107.08604	40.0
109.06527	3.4
109.10185	20.3
111.08059	3.5
119.08556	13.0
121.10172	11.7
123.11742	5.3
124.11246	4.8
125.09628	16.4
133.10161	16.7
135.08099	5.5
135.11708	6.4
142.12250	5.1
144.08080	4.3
147.11691	5.0
149.13269	5.5
151.11208	48.4
153.09128	5.4
161.13255	6.5
165.12730	10.8
170.09610	19.7
170.11765	67.1
171.10162	4.6
186.09154	11.0
231.21176	4.7
241.19344	3.6
259.20526	5.0
276.20483	3.4
276.23209	4.5
277.21631	100.0
277.24490	5.1
294.21048	24.0
294.24387	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.7
55.05523	16.4
57.03456	4.3
57.07084	6.1
58.57177	3.6
67.05513	50.6
69.07081	41.3
71.08621	3.9
79.05502	35.1
81.03449	33.6
81.07049	61.6
82.07379	6.7
83.04985	25.6
83.08624	19.1
91.05478	27.0
93.07051	43.4
94.07372	5.0
95.04973	29.5
95.08611	24.7
96.08946	6.0
97.10168	21.7
105.07048	17.3
106.07391	4.0
107.04070	3.5
107.08604	45.2
108.08945	6.8
109.06530	6.4
109.10177	21.9
111.08071	5.5
117.07050	4.9
119.08566	19.9
120.08875	5.9
121.10155	9.4
122.10525	8.1
123.08075	7.4
123.11711	7.2
124.11190	5.5
125.09618	25.8
126.94190	3.6
131.08533	5.0
133.10164	29.2
134.10480	5.2
135.08046	7.1
135.11757	9.1
136.11983	5.3
137.09595	6.7
138.09903	6.1
147.11728	15.9
148.12201	4.6
149.13214	8.1
151.11182	37.2
153.09142	6.3
161.13214	8.7
165.12704	7.5
170.11763	70.2
185.13271	6.1
192.14694	5.5
219.17416	5.7
220.17784	39.0
241.19406	7.4
248.20950	5.3
276.20419	33.8
277.21591	87.4
294.21588	100.0
294.24475	24.5
304.77332	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	294.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49252	2.0
52.35115	2.1
55.05511	6.3
57.07077	2.3
60.49282	2.3
67.05514	32.1
69.07072	10.9
71.08636	100.0
76.06312	2.3
79.05507	28.9
81.07057	45.8
83.04974	4.6
83.08623	17.4
85.06541	4.8
90.10492	2.3
91.05501	20.4
92.18399	2.8
93.07058	35.9
95.04980	12.1
95.08614	46.4
97.06535	5.6
97.10140	3.9
97.92099	3.1
99.08099	62.1
100.59814	2.8
105.07034	15.8
107.08601	29.9
109.10191	13.6
111.08067	3.5
113.09589	2.7
115.81646	2.7
119.08598	19.1
121.10152	35.1
124.29709	2.4
131.08594	3.7
133.10121	19.3
135.08055	3.2
135.11736	31.1
137.13275	5.3
145.10112	5.7
147.11658	3.0
149.13255	5.0
149.57332	2.3
151.11205	37.4
159.11694	3.5
161.13258	37.0
163.11171	14.8
168.50386	2.9
170.09673	3.1
171.11783	3.6
179.12823	4.4
179.14314	83.5
196.16957	50.8
222.65576	2.6
241.19543	11.1
259.20618	18.3
276.20370	5.2
276.23267	6.1
277.21655	67.6
294.21417	74.3
294.24387	55.0
299.63373	3.5
302.82318	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	294.2067
Annotation	Pramoxine
Peak:m/z	Relative Intensity
57.24319	0.3
58.90458	0.3
63.98628	0.3
69.03433	0.9
69.07073	0.9
79.05502	6.2
79.79164	0.3
81.23485	0.4
86.09712	31.3
91.05476	0.3
93.07053	5.9
93.92496	0.4
105.07042	3.1
107.08598	6.3
111.42470	0.4
119.08512	1.5
121.10147	100.0
123.08102	0.4
128.10721	8.8
132.10216	20.8
134.78285	0.4
135.11700	37.0
137.13272	0.4
145.10153	0.4
163.11174	8.6
174.11304	0.4
248.20085	5.8
294.20645	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72957	0.4
60.05645	0.7
70.06578	0.9
72.07750	0.8
72.08157	21.8
81.07077	0.4
84.08142	6.9
89.10786	0.9
97.07653	3.4
98.06059	2.1
101.10738	0.5
113.10749	0.7
114.09160	11.6
114.10281	33.5
115.08687	11.3
115.10488	0.4
120.08074	0.8
120.88018	0.4
122.06020	51.3
129.10202	0.6
130.08627	0.4
131.12869	0.7
132.10181	1.0
132.13835	0.6
137.05960	0.4
156.11301	1.0
157.10754	0.7
161.07091	0.6
162.07407	0.5
163.03894	2.3
163.08713	3.7
164.04256	0.7
164.07057	19.1
178.05017	3.1
191.08141	0.9
234.15961	6.2
235.14404	29.6
252.17134	0.8
260.13937	1.9
265.88708	0.4
271.96002	0.4
276.14362	1.0
277.16541	11.9
294.19247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
60.05637	1.3
66.89627	0.4
67.79897	0.5
69.03429	2.1
70.06590	3.1
72.08172	5.4
74.00659	1.2
83.04945	0.8
83.44076	0.5
84.05640	8.7
84.08138	3.2
85.02900	2.4
86.09714	13.1
89.63557	0.6
90.05555	3.8
90.09216	0.7
90.79357	0.5
93.75492	0.6
96.05602	0.8
97.02891	2.4
98.06079	0.9
98.09689	3.6
100.02187	1.1
105.97845	0.6
109.02894	0.5
110.07147	1.1
112.03967	0.6
112.11227	0.7
116.10729	2.1
120.08096	0.6
127.03920	1.2
128.10718	1.0
131.99409	5.4
132.10205	7.7
137.07173	0.6
138.05467	0.9
138.10274	58.8
143.05852	0.8
144.10284	3.8
149.02034	1.3
153.07686	1.1
158.02673	0.7
161.06952	2.8
163.03857	1.9
168.10245	0.6
177.01390	0.8
189.06505	4.5
196.77646	0.6
203.03087	3.2
205.01065	4.3
206.09160	0.9
212.12794	4.8
220.12013	0.7
227.13063	0.7
230.11755	1.0
230.13884	19.3
236.14023	1.3
240.13315	0.6
248.11481	10.6
248.14824	2.1
249.03606	5.2
258.13409	7.0
266.18674	3.6
276.11191	2.2
276.14423	27.0
276.17081	2.1
294.11929	9.2
294.18152	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91357	0.3
60.05660	8.6
62.64580	0.4
62.81016	0.3
66.51109	0.3
68.05010	0.8
69.03374	1.8
69.07040	0.7
70.06550	1.2
71.04920	0.4
71.90182	0.3
72.08105	1.8
72.08475	0.4
74.44012	0.3
81.03391	0.5
84.04459	0.4
84.08150	12.3
84.34130	0.4
85.02847	1.6
85.08473	4.0
86.03515	1.6
86.06046	0.8
86.09710	9.4
87.03197	0.6
88.03984	3.7
94.02868	0.7
96.04459	0.9
96.05576	2.4
97.02854	2.0
98.06010	0.4
98.09644	2.2
99.04433	0.4
112.05030	0.9
114.05525	3.1
116.10695	0.7
120.08042	2.3
125.07104	0.5
127.03920	3.0
127.04662	0.3
127.12302	2.6
128.10672	1.5
128.12602	0.9
129.10255	0.7
130.08597	2.2
132.10199	6.2
136.05055	0.4
137.06046	0.7
137.07101	6.5
143.05731	1.7
144.10210	2.8
147.11264	0.7
150.10237	1.9
151.06078	0.5
153.06572	1.7
153.07704	11.9
155.09264	0.7
161.07068	10.7
163.03894	0.8
164.10750	0.6
165.06538	1.9
168.10196	0.4
170.11699	0.4
178.09651	3.1
181.07254	1.4
186.72021	0.4
189.06598	22.5
203.09256	5.6
206.09296	5.7
207.07722	0.8
210.11183	2.2
212.12816	4.9
217.06046	1.4
217.91866	0.3
220.09851	0.9
220.11917	11.0
221.08093	0.9
223.11575	0.8
224.10345	0.7
230.13878	15.9
235.07108	0.4
248.11421	100.0
258.13361	10.5
266.12616	2.0
276.10971	20.1
276.14456	26.8
276.17822	2.9
277.07538	0.5
285.66263	0.4
294.11996	87.7
294.15091	3.8
294.18442	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	294.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05701	0.9
55.01886	0.9
55.05518	1.7
56.96575	61.6
60.05664	1.1
67.05486	0.9
69.07059	1.9
70.06585	4.7
72.08160	10.9
79.05479	1.5
81.07055	4.4
84.04539	2.0
84.08149	4.6
86.09725	9.3
95.08616	1.3
97.06535	31.0
98.06049	2.4
103.86781	1.0
114.10300	1.5
115.08708	1.4
120.08096	4.1
127.07594	1.2
129.10237	4.3
135.04424	2.2
136.06227	2.5
137.02306	3.9
138.05486	4.9
139.03911	1.7
149.94617	1.2
155.10699	1.2
156.06543	1.7
162.05438	1.2
163.03867	1.7
163.07585	1.2
168.06635	1.4
178.49942	1.1
179.03766	2.0
181.05342	17.3
191.07039	4.0
197.04897	1.1
199.06427	38.9
201.08017	2.1
203.12593	1.7
204.10210	6.9
209.04893	14.7
217.07495	10.4
219.08986	2.2
227.05905	100.0
231.10136	11.2
235.09637	2.3
243.05344	2.1
245.06964	49.9
248.12784	17.6
250.07571	1.7
252.16011	2.0
253.03951	1.3
271.04898	35.0
277.10837	7.2
289.05942	22.7
294.10129	2.1
294.13358	24.4
294.16965	18.6
294.20386	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	294.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	1.0
56.96577	70.5
58.06619	1.1
60.67250	0.8
68.01598	0.8
70.06599	2.1
72.08152	9.2
74.97640	0.9
84.08140	4.1
85.60397	0.9
86.09709	1.2
87.07983	1.2
96.04490	1.5
98.62583	0.9
100.08704	3.8
103.05465	1.0
112.11272	2.3
114.09168	1.2
114.10297	4.9
120.08104	1.3
123.04409	5.2
131.11839	1.0
135.08148	1.1
146.07140	2.0
147.04434	3.6
148.04779	4.9
163.03897	11.7
164.04245	11.2
181.05351	18.9
183.06914	1.9
197.04927	1.4
199.06441	42.9
201.08018	5.1
209.04849	17.3
217.07489	11.0
219.09036	2.1
227.05913	100.0
234.13214	1.4
243.05469	1.4
245.06958	53.7
271.04880	28.6
276.12381	5.6
289.05942	21.3
294.13062	6.2
294.16525	16.7
294.19626	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	293.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	4.8
56.07689	3.8
60.41779	3.5
67.05512	76.4
69.07080	7.0
72.08157	5.1
81.07068	100.0
82.65595	3.6
83.08640	6.0
93.07053	6.5
95.08623	89.7
104.67042	4.5
107.08616	10.2
109.10143	38.8
109.43736	4.6
114.10291	9.5
121.10142	7.7
123.11710	9.6
135.11693	6.2
137.13213	8.6
144.08052	4.7
145.10147	7.2
151.14851	5.1
163.03888	52.8
163.14738	4.5
170.09676	19.6
173.13205	4.6
186.09259	6.5
256.85355	4.9
261.22250	6.5
274.47766	4.1
276.13361	6.3
293.16098	42.6
293.19342	17.0
293.24753	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
55.05515	11.2
55.61608	5.2
57.03442	9.4
67.05502	27.2
69.07069	23.5
69.29652	5.1
79.05489	12.3
81.07056	29.0
83.08620	9.6
85.06548	11.0
91.05482	25.7
93.07037	36.4
93.55424	6.0
95.04983	14.2
95.08595	31.9
104.10754	11.3
104.60145	7.0
105.07036	34.4
107.08573	12.2
109.06541	6.5
109.10129	7.7
111.04441	25.4
114.10317	6.8
119.08588	14.6
121.10139	14.4
123.08024	8.0
125.00003	10.2
131.08502	7.8
133.10098	31.7
135.11711	10.3
137.09625	10.3
144.08086	23.3
145.10164	8.6
147.11711	8.7
149.09677	7.5
150.54770	14.5
159.55286	13.5
160.07631	11.7
163.03912	38.8
170.09653	57.8
171.10397	12.3
173.13309	7.2
186.09113	12.5
202.14522	6.2
215.11803	7.0
218.14230	8.5
219.17430	100.0
240.09949	14.7
247.20665	8.0
272.66025	9.4
275.20111	64.5
281.66162	9.8
293.15994	31.5
293.21536	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01877	1.3
55.05520	4.7
63.99506	0.6
67.05495	5.1
69.07080	1.2
71.08641	1.5
79.05502	3.2
81.03414	1.1
81.07079	7.3
83.05000	0.7
83.08627	0.8
85.06522	0.7
91.05515	1.3
93.07019	2.7
95.04977	23.8
95.08617	3.3
97.06567	1.0
97.10164	1.5
105.07023	1.0
107.04961	1.0
107.08608	3.1
109.06541	3.8
111.08098	1.3
119.08602	1.7
121.06524	1.5
121.10168	0.9
123.08086	0.9
131.08646	0.9
133.10159	1.6
135.08081	1.6
135.11720	1.2
137.09615	1.5
138.84673	0.7
144.08102	1.7
145.10173	1.7
148.60863	0.7
149.09636	3.9
151.11252	1.3
160.07617	1.7
163.11200	5.4
165.12840	3.3
170.09650	7.0
171.10393	1.4
177.12738	1.4
186.09138	7.6
187.09915	1.6
199.12347	2.9
201.14058	0.9
202.14705	1.2
205.12270	1.0
218.14265	1.2
223.13280	6.0
250.43277	0.7
275.20090	5.5
293.21216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	Methyl [6]-paradol
Peak:m/z	Relative Intensity
50.13373	0.2
50.99534	0.3
53.62339	0.2
56.12013	0.2
56.33570	0.2
69.07115	0.4
71.08630	0.7
79.05473	0.3
81.07043	0.4
83.08614	0.3
87.48765	0.3
93.07046	0.4
95.04963	1.3
95.08598	0.4
97.10144	0.4
99.08132	0.4
107.04971	0.4
107.08591	0.3
109.06516	0.3
121.06524	0.7
123.07995	0.4
125.09624	0.3
147.42496	0.3
170.09703	0.4
177.12769	0.5
186.09172	0.6
215.28586	0.3
237.14647	0.3
271.39911	0.3
275.20078	1.3
287.40631	0.3
293.21133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
53.04414	0.2
55.05510	0.7
55.19183	0.2
59.24528	0.3
67.05501	1.6
69.07085	0.7
71.08620	0.3
79.05485	1.2
81.07089	2.1
83.08626	0.7
91.05487	0.6
93.07047	1.4
95.04988	2.8
95.08601	1.2
99.08086	0.5
107.04939	0.7
107.08608	1.2
109.06527	0.6
109.10141	0.5
111.08108	0.3
119.08532	0.3
121.06527	2.1
121.10083	0.3
123.08030	0.6
123.69608	0.3
125.09639	0.5
131.80128	0.3
133.10107	0.3
135.08057	0.4
135.11682	0.4
144.08081	0.4
145.10162	0.4
149.09641	0.5
151.11208	0.5
159.11642	0.3
160.07542	0.4
160.21326	0.3
163.03860	0.3
163.11240	0.6
164.11975	0.3
165.12717	0.6
170.09673	1.8
186.09140	1.4
187.09882	0.3
199.12349	0.4
202.14746	0.4
218.14137	0.3
223.13376	0.4
237.14952	0.4
275.20108	1.7
293.21133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.66467	1.2
52.39100	1.1
55.01879	7.3
55.05518	16.8
57.03444	1.4
57.07077	1.9
67.05512	26.2
69.03448	2.2
69.07072	15.1
79.05500	25.2
81.03431	6.1
81.07061	44.6
83.04988	5.7
83.08625	13.5
91.05491	12.7
93.07052	23.5
93.16796	1.6
95.04970	7.7
95.08615	24.8
97.06521	12.5
97.10192	13.7
105.07045	25.7
107.04952	9.5
107.08605	46.6
109.06538	12.8
109.10145	13.5
111.08090	1.5
117.07031	5.7
119.08571	19.7
121.06498	6.1
121.10146	14.7
123.08060	5.9
123.11710	6.7
125.09608	13.1
131.08560	13.1
133.10146	19.4
135.08031	3.4
135.11714	6.7
137.09647	5.6
139.11226	1.6
143.08545	1.5
145.10136	17.1
147.11694	17.4
149.09641	15.1
149.13240	2.2
151.11189	7.7
155.08488	1.5
157.10045	2.2
159.11711	10.5
160.07585	2.4
161.13260	2.8
163.11160	12.9
165.09123	2.4
165.12737	2.5
169.10077	1.8
170.09717	5.6
171.10298	1.7
171.11688	3.1
173.13278	7.8
177.12743	2.1
186.09195	3.1
187.11182	1.9
189.11189	7.4
193.06273	1.5
229.19557	3.1
239.17934	7.3
247.20596	7.4
257.19016	11.5
265.21683	1.9
275.20068	100.0
293.21320	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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.45749	0.5
54.10559	0.6
57.48753	0.5
58.28826	0.5
69.07069	0.9
71.08620	0.7
79.05499	1.0
81.07059	1.5
81.79056	0.6
83.04990	0.8
83.08615	0.9
93.07064	0.8
95.04927	1.3
95.08606	1.4
105.07022	0.9
107.08570	1.2
109.06528	0.9
114.10291	1.1
121.06505	1.0
125.09645	0.8
133.10172	0.9
143.32820	0.7
144.08131	1.5
151.11206	1.3
160.07631	1.4
163.03902	4.2
163.11098	0.7
170.09651	8.2
186.09148	4.1
189.33167	0.6
199.12349	1.5
213.67436	0.7
215.11792	0.9
237.14854	0.9
243.25145	1.0
275.20071	4.0
293.21170	100.0
293.27676	5.0
299.57401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
55.01651	2.0
55.01888	39.7
55.05524	18.0
60.40237	1.1
64.00117	1.3
67.05515	26.4
67.32062	1.3
69.07085	12.0
71.05036	1.5
78.62259	1.4
79.05505	29.9
81.03431	5.4
81.07068	28.3
83.04988	9.5
83.08625	11.8
91.05487	11.9
92.18166	6.4
93.07059	22.7
95.04978	14.1
95.08607	12.9
97.06540	98.3
97.07169	3.2
97.10178	11.3
105.07064	16.8
107.04971	20.2
107.08601	27.7
109.06543	7.2
109.10149	10.8
112.27272	1.3
117.07023	3.2
119.08585	15.8
121.06585	1.5
121.10168	12.5
123.08049	2.5
123.11706	2.0
123.75647	1.3
125.09633	7.5
131.08563	8.9
133.10153	14.5
135.08067	5.6
135.11713	6.7
137.09592	2.7
139.07530	1.7
145.10141	9.4
147.11708	11.1
149.09641	40.1
149.13275	1.8
151.11194	3.0
159.11705	8.6
161.13249	5.9
163.11150	10.7
165.12715	1.5
170.09647	2.8
171.10332	2.7
171.11691	1.6
173.13249	3.2
177.12766	2.3
179.14320	8.0
186.09258	2.3
189.11203	10.0
200.21033	1.4
209.15340	2.2
229.19669	5.6
247.20499	2.9
257.19006	7.9
275.20078	100.0
293.21259	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	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.55460	1.3
53.48428	1.5
55.01883	6.4
55.05525	16.0
62.40812	1.4
67.05518	14.4
69.07067	3.4
71.08632	6.5
79.05521	12.2
81.03408	2.5
81.07088	15.1
83.04982	7.2
83.08612	7.2
91.05466	2.9
93.07040	11.2
95.04979	59.7
95.08601	11.1
97.10169	7.7
105.07016	3.4
107.04958	3.9
107.08585	9.9
109.06546	6.7
109.10124	6.8
111.04462	3.7
111.08057	6.8
119.08578	9.3
121.06480	3.6
121.10139	7.0
123.08057	4.0
123.11675	1.9
125.09650	3.4
130.48511	1.7
131.08560	3.5
133.10118	6.1
135.08064	3.3
135.11700	3.6
145.10156	9.8
147.11699	2.6
149.09641	16.3
153.09125	18.2
159.11673	2.1
163.11179	22.8
165.12766	9.0
165.23618	1.7
186.09172	2.4
195.13782	8.1
223.13283	14.3
237.14922	2.4
247.20613	1.9
257.19034	2.7
275.20108	19.8
293.21146	100.0
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	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
55.05507	0.5
55.78506	0.3
67.05485	0.6
69.07072	0.6
69.45404	0.3
69.66592	0.3
71.08641	0.7
79.05495	0.5
81.07048	2.2
83.08597	0.5
91.05483	0.6
93.07028	0.6
95.04953	1.8
95.08606	0.7
97.10169	0.4
99.08112	0.8
105.07058	0.4
105.87579	0.4
107.08630	0.4
117.07024	0.3
120.86028	0.4
121.06486	1.4
121.10081	0.4
123.08036	0.5
126.57029	0.4
151.11217	0.7
164.11932	0.5
165.12717	0.8
170.09695	0.4
177.12740	0.4
186.09091	0.6
275.20071	0.8
293.21109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.46272	1.2
54.86276	0.8
55.01879	1.5
55.05513	5.1
67.05512	10.4
68.71159	1.1
69.07069	5.5
71.04983	1.4
72.08166	1.8
73.82940	1.0
75.82539	0.9
79.05498	8.5
81.07063	17.8
83.04984	2.2
83.08624	4.3
91.05476	6.3
92.18378	1.5
93.07056	18.6
95.04958	1.9
95.08604	14.6
97.06541	5.1
105.07031	10.8
107.08604	18.7
109.06532	11.6
109.10174	5.0
114.10299	4.5
117.07030	5.8
119.08617	7.6
121.06512	4.4
121.10122	8.7
123.08069	10.3
125.26880	1.1
131.08565	16.0
131.29224	1.1
133.06473	2.0
133.10150	9.1
135.08051	10.9
135.11658	7.9
137.09740	1.2
144.08086	6.0
145.02832	1.1
145.10139	11.1
147.08057	1.7
147.11674	8.4
149.09628	8.9
149.13292	6.6
151.11192	2.2
155.08591	1.3
155.14355	1.1
157.10167	2.1
159.08090	1.4
159.11696	10.2
160.07591	1.5
161.13290	1.7
163.03931	21.6
163.11160	4.1
170.09666	11.2
171.11749	1.2
173.09592	1.3
173.13289	9.5
175.11285	3.7
177.05539	2.7
177.12744	2.4
183.11749	4.1
186.09143	9.0
191.14388	2.0
197.13306	1.6
199.12387	1.6
201.12727	8.7
202.14688	2.1
205.15834	1.5
207.13974	1.2
215.11861	1.1
215.18050	2.5
218.14085	1.2
219.13863	5.3
229.19611	1.7
233.15353	1.9
234.11349	2.0
235.16814	1.3
239.18071	1.6
247.20541	3.9
257.18942	11.4
275.20059	80.6
293.10474	1.9
293.16443	12.3
293.21191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.07587	2.0
55.01905	7.3
55.05532	17.0
57.07076	4.5
67.05513	29.5
69.07072	15.1
71.04983	3.5
75.10167	2.2
78.49218	2.2
79.05499	19.3
81.03429	4.8
81.07069	39.4
83.04985	5.3
83.08624	13.0
85.06543	9.2
85.10208	2.2
86.52682	2.5
91.05475	16.3
92.18284	3.0
93.07055	21.7
95.04971	22.3
95.08598	33.8
97.06563	3.6
97.10196	4.3
97.51786	2.2
105.07051	18.4
107.04981	9.5
107.08605	26.8
109.06526	9.1
109.10146	23.3
111.04460	9.0
111.08106	4.5
119.08588	19.8
121.06493	4.1
121.10159	19.2
123.08035	11.8
123.11671	2.5
125.09636	3.5
131.08572	10.8
133.10138	20.7
135.11693	14.3
137.09637	53.9
143.81340	2.3
145.10138	11.8
147.11670	5.6
149.09607	12.3
151.11197	15.3
159.11710	13.4
160.07579	5.3
163.11250	9.8
163.14842	2.9
165.09120	5.5
165.12804	4.3
170.09641	15.5
173.13278	4.8
177.12744	3.5
177.16411	2.5
186.09145	17.0
187.09949	3.2
219.13823	2.4
229.19563	3.6
247.20612	10.6
256.30588	2.4
257.19003	5.3
275.20084	70.3
290.36673	2.4
293.16333	3.3
293.21280	100.0
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
50.90190	0.8
55.01879	1.5
55.05516	4.4
55.74421	0.7
57.03444	1.1
57.06834	0.9
57.07088	14.4
59.02127	0.8
67.05514	11.4
69.07069	5.2
71.04988	1.7
71.08640	1.5
72.08170	1.4
73.87318	0.7
79.05498	4.2
81.03429	8.9
81.07066	12.7
83.05000	1.8
83.08620	1.8
85.06548	8.4
91.05489	5.2
93.07030	6.8
94.46378	1.1
95.04967	10.3
95.08612	12.3
96.18369	0.8
97.06514	1.4
97.10162	1.5
105.07056	5.6
107.08602	6.4
107.58476	0.9
109.06500	1.7
109.10153	9.0
113.09719	0.9
114.10314	5.7
117.07012	1.6
119.08591	3.4
121.10197	4.2
123.08086	1.4
123.11730	4.3
131.08578	4.5
133.10143	4.1
135.11693	1.0
137.09624	100.0
141.07018	1.2
141.09158	2.0
144.08070	1.5
145.02957	1.0
145.10092	1.5
147.11734	1.6
151.11212	9.9
159.11775	1.4
160.07552	1.5
163.03912	22.0
163.11205	4.5
165.09114	1.0
170.09616	10.1
171.10425	1.3
171.11729	1.1
173.13318	3.9
175.11218	1.3
177.12830	3.4
186.09180	7.3
187.09703	1.1
187.14763	0.9
191.14386	4.0
199.12381	2.1
202.14760	1.2
207.13631	1.0
215.11864	1.5
218.14233	1.2
234.11263	1.3
249.88026	0.9
257.18982	1.3
275.20102	11.9
293.16370	17.6
293.21237	62.6
293.28308	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	9,10-EOT
Peak:m/z	Relative Intensity
52.41945	2.1
55.01868	12.2
55.05529	25.8
57.03444	5.1
57.07076	2.6
67.05515	37.5
69.03411	2.5
69.07097	23.3
69.07380	2.7
70.50761	2.3
71.04978	4.6
72.08152	3.5
79.05495	38.9
81.07072	53.9
83.04989	6.1
83.08640	19.5
91.05496	28.3
92.17869	3.9
93.07050	44.5
95.04969	42.1
95.08607	32.7
97.06511	16.0
97.10156	19.7
97.74178	3.0
99.34091	3.2
105.07038	38.0
107.04961	5.3
107.08604	41.8
109.06519	16.6
109.10141	23.4
111.08074	5.5
114.10308	25.8
115.08685	3.3
117.07031	11.4
119.08582	31.5
121.10152	24.1
123.08064	11.8
123.11727	5.4
125.09627	13.2
131.08588	15.7
133.10146	29.9
135.08046	6.6
135.11694	4.9
137.09636	14.0
138.05006	2.7
139.07602	4.1
144.08095	6.6
145.10136	21.3
147.11693	12.5
149.09628	13.2
149.13283	3.6
151.11169	13.1
159.11734	11.2
160.07607	11.8
161.13309	3.5
163.03905	75.1
163.11169	18.0
170.09677	45.2
171.10359	6.5
173.13257	5.1
177.12697	3.7
181.12271	5.1
183.11664	3.4
186.09193	33.2
187.09802	3.7
189.11264	5.2
199.12332	15.4
202.14690	4.7
215.11661	3.5
216.56685	2.6
218.14226	3.8
223.13292	12.1
234.11305	3.8
239.17889	4.5
247.20512	3.7
257.18954	4.8
275.20084	100.0
275.22900	5.5
276.13510	4.2
293.16367	52.1
293.21271	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01876	3.8
55.05293	1.8
55.05522	33.2
66.25594	1.5
67.05511	18.7
69.03410	2.0
69.07050	7.1
69.46534	1.5
71.04982	1.9
74.43411	1.4
75.88942	1.5
79.05493	28.1
81.03413	3.3
81.07065	22.9
83.04981	6.4
83.08627	23.8
85.02904	3.7
91.05466	10.0
93.07063	15.1
95.04970	100.0
95.08601	14.5
97.10167	28.2
105.07037	15.1
107.04939	4.0
107.08609	28.4
109.06511	7.5
109.10152	10.6
111.08083	3.3
117.06967	2.5
119.08591	13.7
121.06480	3.4
121.10134	19.0
123.08050	6.2
125.09627	22.8
131.08574	11.2
133.10162	15.2
135.08072	6.9
135.11671	7.7
145.10144	14.7
147.08015	6.6
147.11714	7.3
149.09615	50.8
153.09120	2.3
159.11678	8.4
159.65149	1.7
161.09512	2.1
163.11172	41.3
169.10080	6.0
171.10205	6.0
173.13297	2.0
177.12749	2.2
187.11160	2.4
189.11227	8.6
205.12297	3.3
209.68172	1.5
217.32156	1.8
223.13292	50.2
239.17842	2.9
257.18964	8.3
275.20053	62.4
293.21112	83.1
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	9,10-EOT
Peak:m/z	Relative Intensity
55.01888	4.8
55.05521	15.5
67.05515	41.0
69.07075	28.1
71.04980	4.2
78.89216	1.7
79.05505	25.6
81.03426	3.0
81.06604	4.0
81.07066	100.0
82.44347	1.9
83.04990	2.5
83.08647	18.7
85.06548	4.8
91.05478	23.6
93.07047	34.4
95.04976	16.9
95.08613	30.9
97.06522	8.2
97.10207	3.0
104.81409	1.9
105.07035	32.8
107.04954	3.5
107.08595	22.8
109.06525	34.6
109.10163	19.7
111.08089	4.9
117.07030	8.3
119.08585	37.8
121.06517	4.3
121.10152	18.6
123.08072	20.3
123.11661	8.5
125.09657	3.9
129.07054	2.1
131.08571	13.4
133.10124	31.0
135.08073	3.4
135.11699	8.1
137.09624	13.3
143.08522	2.7
145.10126	12.8
147.11703	24.0
149.09659	9.9
151.11165	3.9
157.10121	3.3
159.11697	9.9
161.09569	2.7
161.13200	2.3
163.11186	8.2
165.12781	4.7
170.09619	3.7
173.13225	3.0
175.11200	3.8
177.12741	2.5
193.12323	2.6
247.20627	3.7
257.19043	9.6
275.20078	95.9
293.21124	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.05514	1.1
57.46229	0.6
67.05507	8.2
67.16342	0.6
69.07059	1.3
71.05006	1.1
74.21272	0.6
77.17038	0.6
79.05504	14.7
81.07064	100.0
83.05011	0.8
83.08607	1.3
91.05479	7.9
93.07054	7.2
95.04952	3.3
95.08611	4.5
97.06515	3.6
98.05519	0.6
99.08093	1.0
105.07024	8.2
107.08588	4.9
109.06523	78.6
109.10144	3.2
117.07056	2.9
119.08589	8.2
121.10139	4.5
123.08060	3.6
123.11726	0.9
124.26685	0.7
125.09665	0.9
125.13301	0.7
129.06956	1.0
131.08549	4.4
133.10127	13.5
135.08029	1.0
135.91739	1.0
137.09624	0.8
138.31465	0.7
145.10167	2.9
147.11691	11.0
149.09621	5.1
149.13303	1.0
151.11180	4.5
157.10132	2.5
159.11731	1.7
161.13286	0.8
163.11159	4.1
165.12759	4.4
170.09688	1.7
173.13261	1.0
175.11217	4.2
177.12730	1.1
186.09137	1.1
193.12236	5.6
199.48653	0.7
229.19586	0.8
239.17883	0.8
247.20494	1.3
255.32439	0.8
257.19037	1.1
268.54718	0.7
275.20056	33.1
278.66119	0.7
293.21140	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	293.211
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.85854	1.5
52.96936	1.3
55.01873	3.2
55.05509	6.4
55.25313	1.4
55.54932	1.2
57.72280	1.4
62.02586	1.5
67.05499	10.9
69.07080	15.6
79.05482	9.8
79.55621	1.6
81.07062	20.0
83.04975	3.1
83.08617	6.1
83.34169	1.6
85.72060	1.5
91.05483	9.1
92.18428	1.9
93.07044	14.4
95.04952	3.4
95.08613	12.4
97.06528	2.2
97.47485	1.5
105.07032	15.9
107.04974	6.4
107.08587	10.9
109.06507	3.9
109.10162	7.1
111.70812	1.5
119.08557	8.4
121.06513	9.4
121.10142	8.3
123.08068	2.8
123.11768	2.3
131.08571	11.8
133.10144	17.4
135.08086	2.0
135.11723	7.0
137.09618	2.9
138.39410	1.6
145.10110	9.6
147.11679	9.7
149.09607	2.9
149.13249	2.3
151.11215	6.6
155.62027	1.9
159.11647	3.8
161.09641	2.3
161.13290	2.1
163.11055	2.8
173.13272	3.1
186.09181	2.8
191.14345	2.2
219.13818	7.4
229.19691	2.0
239.17989	1.9
247.20438	2.2
257.18970	12.0
275.20059	100.0
293.21167	63.8
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	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
52.43430	1.4
55.01865	8.2
55.05510	1.9
57.03445	1.9
58.05796	1.5
67.05513	10.8
69.07057	7.5
71.04986	1.8
79.05499	9.0
81.07061	9.0
83.04975	14.4
83.08606	6.2
87.60487	2.0
91.05470	4.0
93.07041	9.8
95.04970	3.9
95.08593	9.6
97.06531	21.2
105.07008	2.0
107.05004	1.7
107.08610	8.2
109.06528	2.9
109.10199	3.0
111.04441	31.2
114.10312	7.4
117.06966	2.1
119.08585	2.4
121.06506	2.3
121.10155	3.5
123.08080	3.0
125.05991	100.0
131.08554	3.6
133.10126	2.0
135.08012	12.8
135.11697	2.5
139.07529	7.1
143.07045	11.5
144.08076	3.9
145.10080	2.0
149.09608	4.1
151.07513	2.6
151.11235	3.4
152.15703	1.9
153.05464	29.4
161.13318	2.4
163.03899	28.7
163.07549	6.8
163.11223	2.1
163.14827	2.5
170.09698	9.2
181.08614	4.1
186.09129	10.7
187.09906	3.1
193.12387	1.8
199.12257	2.3
202.14732	2.0
207.15594	1.6
218.14174	1.6
247.20532	6.6
251.20163	2.8
275.20013	23.7
276.13428	2.4
293.16006	21.1
293.21362	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41151	0.4
58.06624	2.0
67.05544	0.4
81.07061	1.1
81.44026	0.5
85.06541	0.6
86.09734	0.9
93.07049	0.7
105.07052	1.0
108.08141	0.9
144.08093	34.4
145.08800	1.2
147.43715	0.6
158.09615	4.1
160.07556	6.7
163.03879	0.6
170.09645	100.0
171.10426	18.8
186.09132	14.6
186.10849	0.7
186.11513	0.9
187.09888	2.1
187.12347	0.9
198.12775	3.4
199.12311	26.0
201.13901	8.2
202.14651	23.9
212.14354	0.8
215.11754	1.1
217.13397	0.9
218.14175	5.2
241.16907	0.6
255.18430	0.8
293.19302	54.4
293.69534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88815	0.2
55.05508	0.2
55.09547	0.2
57.49787	0.2
58.06603	1.6
66.55608	0.2
70.06592	2.4
72.08157	0.8
84.08148	100.0
85.02906	1.0
85.06537	0.3
88.70043	0.2
92.17785	0.2
95.04967	0.2
96.08128	2.3
98.09698	0.3
99.04454	0.3
110.09702	0.5
114.10290	1.1
114.39964	0.2
119.01913	1.1
123.04430	2.7
126.15910	0.2
127.03879	0.3
127.12315	25.1
134.03603	0.4
135.04059	0.3
141.04004	0.4
145.03586	0.2
152.13110	0.3
159.05037	2.0
161.07098	7.9
161.08325	0.4
162.03154	0.5
163.03862	2.4
164.05554	0.4
177.06023	0.4
178.08736	0.4
180.10095	0.3
182.06711	0.5
185.03047	1.2
190.29228	0.2
203.04076	1.5
206.11761	2.2
208.04469	1.6
226.05719	0.9
231.03615	0.3
233.12625	0.4
234.10730	0.3
247.03154	0.2
248.09181	0.2
248.12851	0.3
270.04468	1.5
275.02527	1.6
275.17523	17.8
276.13144	0.4
276.15872	1.7
293.06464	0.4
293.11517	1.3
293.15674	4.6
293.18710	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	293.1861
Annotation	(+)-Jussiaeiine C
Peak:m/z	Relative Intensity
58.06599	1.8
69.03436	0.4
70.06590	2.7
72.08156	0.4
73.02925	0.3
81.03427	0.2
84.08149	100.0
85.02905	2.9
96.08143	2.2
97.02902	0.3
100.07626	1.3
101.00845	0.3
103.03973	0.3
104.13333	0.2
110.09673	1.0
119.01913	1.1
123.04431	1.9
126.12819	1.5
127.12318	24.6
134.33752	0.2
137.06041	0.3
143.01912	0.3
145.03447	0.4
152.13121	0.3
153.42117	0.2
159.03825	0.2
159.05080	1.1
159.14502	0.3
163.03932	0.3
166.14195	0.2
180.10139	0.4
185.03004	0.4
203.04004	0.4
205.13652	0.3
206.11723	2.1
217.41286	0.2
242.22299	0.5
243.22588	0.3
275.02518	1.2
275.17523	17.6
276.15906	2.7
293.18622	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20685	0.2
54.46220	0.3
56.02278	0.3
56.75801	0.3
58.88887	0.3
59.14682	0.3
60.05654	0.7
72.08159	6.5
81.21568	0.3
86.38968	0.3
89.03916	0.6
89.10802	1.7
97.07657	1.7
98.06077	0.4
102.12613	0.3
103.64146	0.3
114.10290	22.7
115.08691	4.3
115.19040	0.4
120.77995	0.4
131.12918	2.5
135.04414	1.7
145.02881	2.7
163.03900	100.0
183.28484	0.4
184.90408	0.4
185.02859	0.3
233.12828	8.2
234.11209	7.7
251.13855	0.7
267.50958	0.3
276.13425	6.0
293.16071	69.5
307.57578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83737	0.4
53.89309	0.4
60.05654	3.0
72.08164	11.5
89.10795	2.6
97.07657	2.0
114.10296	29.6
115.08704	2.6
117.03354	0.7
131.12949	6.5
135.04419	2.9
145.02864	4.2
163.03902	100.0
167.68877	0.5
175.60394	0.5
209.99519	0.4
233.12860	4.9
234.11270	5.6
276.13440	7.3
292.48181	0.5
293.16074	74.9
308.86319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57011	0.1
60.05659	1.1
63.88787	0.1
65.02387	0.1
70.81909	0.1
70.89210	0.1
72.08159	6.5
72.46762	0.1
73.04046	0.2
80.03553	0.1
89.03905	0.8
89.10800	1.6
94.52954	0.1
97.07092	0.2
97.07655	1.7
98.06042	0.7
114.10289	22.4
115.08686	3.8
117.03357	0.7
131.12006	0.1
131.12933	2.7
133.16487	0.1
135.04417	1.7
137.05949	0.2
144.59053	0.1
145.02832	2.8
157.10886	0.5
158.86342	0.1
163.03897	100.0
233.12852	7.1
233.15189	0.2
234.11224	9.3
251.13870	0.6
261.60168	0.1
276.13416	6.3
292.46738	0.1
293.16071	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76076	0.3
58.69257	0.3
60.05646	2.6
64.01987	0.3
64.56773	0.4
65.38081	0.4
65.79965	0.3
68.13404	0.4
68.83984	0.4
71.38636	0.4
72.08161	11.1
80.77520	0.4
89.10793	1.0
97.07667	2.0
98.06052	0.9
106.30711	0.4
114.10288	28.4
115.08695	1.9
127.41331	0.5
131.12912	6.5
135.04430	2.3
145.02867	3.2
157.10867	0.7
163.03899	100.0
199.80028	0.4
233.12762	5.4
234.11229	6.4
276.13495	7.4
289.60046	0.4
293.16064	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	293.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84510	0.2
54.01078	0.2
54.79734	0.2
56.28237	0.2
57.03446	0.2
58.72367	0.2
59.05009	0.9
62.15167	0.2
62.83771	0.3
65.03956	0.3
67.05502	0.4
69.07057	0.2
72.08123	0.3
72.79659	0.2
73.17507	0.2
77.81093	0.2
79.05505	0.6
81.07059	1.2
91.05484	50.8
93.07034	0.5
94.00465	0.2
95.04974	0.5
99.08124	0.3
102.10198	0.2
105.07023	0.3
109.06473	0.4
109.10151	0.3
114.10296	1.5
119.08598	0.3
121.10189	0.3
125.01521	1.5
144.08105	1.0
160.07594	0.6
163.03897	4.2
170.09662	2.6
171.10338	0.3
185.05107	1.1
186.09201	2.0
199.12239	0.4
201.04649	2.3
202.05589	0.3
208.69202	0.2
218.14252	0.4
219.05693	5.2
232.53644	0.3
233.07338	0.6
275.20117	1.9
293.10901	100.0
293.16208	2.9
293.19409	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68528	1.1
54.00418	1.3
54.87201	1.0
55.81181	1.1
56.03589	1.1
57.32050	1.1
59.77721	1.1
60.52855	1.2
70.14662	1.3
77.13075	1.2
86.93971	1.3
87.30771	1.2
108.14764	1.5
293.06329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	1.0
66.35327	0.4
70.06574	2.4
72.08160	60.7
75.09261	4.3
75.48254	0.5
82.54483	0.5
83.99116	0.4
86.19337	0.5
89.39036	0.5
91.05463	0.8
97.07615	0.6
112.11269	6.3
114.10294	0.9
119.04955	4.1
127.56292	0.5
129.13875	11.3
146.16537	1.1
147.04413	100.0
155.11765	2.4
159.18672	0.6
172.52052	0.5
204.10201	80.5
221.12881	8.2
228.07584	0.6
233.02153	2.0
233.10005	2.5
275.17523	20.2
290.76657	0.5
292.06934	9.7
292.14948	1.7
292.20197	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	292.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	1.0
66.35327	0.4
70.06574	2.4
72.08160	60.7
75.09261	4.3
75.48254	0.5
82.54483	0.5
83.99116	0.4
86.19337	0.5
89.39036	0.5
91.05463	0.8
97.07615	0.6
112.11269	6.3
114.10294	0.9
119.04955	4.1
127.56292	0.5
129.13875	11.3
146.16537	1.1
147.04413	100.0
155.11765	2.4
159.18672	0.6
172.52052	0.5
204.10201	80.5
221.12881	8.2
228.07584	0.6
233.02153	2.0
233.10005	2.5
275.17523	20.2
290.76657	0.5
292.06934	9.7
292.14948	1.7
292.20197	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	292.1532
Annotation	Sarmentamide C
Peak:m/z	Relative Intensity
50.28426	0.4
58.06634	0.6
59.04864	1.1
60.05643	1.1
69.05824	0.8
70.06244	0.6
70.06599	12.0
72.05628	0.6
72.08162	10.9
73.06409	2.4
83.06085	0.7
84.04512	1.2
84.08128	2.5
85.12160	0.5
86.07201	10.8
86.09700	0.9
87.07975	5.4
95.06058	1.0
96.06873	1.2
97.07635	2.9
98.06048	1.0
100.08729	2.7
101.09543	0.5
110.05988	0.8
110.07154	0.9
112.08730	6.0
113.07104	0.6
114.10291	19.4
115.08698	5.5
120.08064	0.8
130.08672	0.6
130.12183	0.7
134.02649	1.2
134.03633	25.4
136.05209	1.1
153.08975	0.9
162.03117	28.6
163.03893	8.9
164.04716	1.2
165.52304	0.7
166.09735	0.9
178.04985	2.1
179.79150	0.5
205.10582	0.8
214.08728	0.7
228.07616	1.3
231.11293	2.9
232.09676	3.9
232.12054	11.1
233.10466	25.0
233.12801	0.9
267.48907	0.6
274.11832	3.2
275.12646	8.0
291.14493	5.6
292.15283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94063	1.3
62.35600	1.2
63.06604	1.3
128.18825	1.4
183.15688	1.4
233.02078	26.6
278.28555	1.5
292.06934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55769	0.2
57.03443	0.3
61.02927	0.8
67.96970	0.2
69.03426	1.2
69.60182	0.2
70.06578	0.4
72.08167	0.2
73.02917	0.2
81.03410	0.8
85.02904	4.9
85.63828	0.2
87.04420	0.4
87.39052	0.2
91.03960	0.3
97.02892	1.4
99.04416	0.2
100.07585	0.4
104.23414	0.2
108.68343	0.2
109.02891	0.9
114.05440	0.2
118.62435	0.2
122.02744	0.2
127.03919	1.1
129.55319	0.2
130.06529	100.0
131.06842	0.3
145.04988	0.4
195.62909	0.2
277.95520	0.2
292.11768	3.8
292.16608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2321
Annotation	Ardisinol II
Peak:m/z	Relative Intensity
52.25631	8.8
57.78974	9.3
64.33569	8.4
67.05495	8.9
79.05468	12.7
92.18371	14.8
93.07046	42.4
95.08605	11.3
107.08604	44.5
109.10135	11.2
119.08576	13.5
121.10178	45.0
129.94559	9.5
135.11729	69.0
149.13266	14.8
155.12543	9.4
202.10950	9.9
209.20479	9.9
254.90967	11.4
291.20081	14.7
291.23151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
54.50759	1.5
55.05523	13.0
55.38828	1.8
57.07064	2.9
63.80844	1.7
67.05509	25.6
69.02351	1.6
69.07079	17.4
71.08630	2.8
73.36892	1.8
73.61485	1.7
79.05489	27.1
81.07058	37.0
83.08607	9.0
85.06539	7.1
91.05474	23.6
93.07046	64.6
95.08613	23.3
97.10207	2.8
99.08105	2.7
101.06014	2.3
102.84342	1.8
105.07043	17.2
107.08599	38.0
109.10129	8.3
117.06979	3.9
119.08572	20.8
121.09444	1.8
121.10163	26.0
123.11632	2.4
131.08568	3.3
133.10129	20.6
135.11700	20.4
145.10085	4.1
147.08064	3.3
147.11697	21.0
149.13234	18.7
157.10124	4.3
159.11720	2.6
161.09625	3.8
161.13229	18.7
163.14769	14.2
171.11678	4.2
175.11136	2.7
175.14806	14.0
185.13202	2.0
189.12714	7.0
193.12221	2.4
203.14281	3.7
217.19485	11.7
225.19266	1.8
231.21088	3.6
241.19479	9.4
259.20590	18.0
287.76373	2.0
291.19974	4.8
291.23163	100.0
313.98645	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
55.05519	12.5
57.07079	3.4
59.65685	2.0
67.05503	25.9
69.07060	12.8
79.05497	54.7
81.07057	40.1
83.01733	2.2
83.08625	12.9
85.28680	2.5
91.05488	15.4
92.17899	3.6
92.18383	3.6
93.07044	88.5
93.19344	2.7
95.04948	2.9
95.08607	29.1
97.06522	2.6
105.07022	15.6
107.08588	55.1
109.06514	4.4
109.10156	11.3
117.07073	2.6
119.08571	12.6
121.10144	53.3
123.11738	3.0
131.08609	4.2
133.10139	16.0
135.11697	66.6
147.11685	14.7
149.09578	3.1
149.13257	34.4
156.69136	2.5
159.11700	4.2
161.13277	4.7
163.11197	3.5
163.14825	12.9
172.30759	2.6
173.42265	2.4
175.14874	3.2
241.19308	3.4
259.20612	10.7
291.23151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05249	1.4
55.05523	11.3
57.07076	1.3
67.05516	21.4
69.03443	1.5
69.07088	10.7
69.07387	1.2
74.64529	1.2
79.05079	2.7
79.05505	48.9
81.07071	36.3
83.04990	1.5
83.08614	7.7
85.06544	1.6
85.35460	1.4
91.05470	14.6
93.07053	81.3
95.08611	26.6
97.06489	1.5
97.10187	5.2
102.41079	1.3
105.07016	8.2
107.08611	51.1
109.10178	14.4
117.07027	2.8
119.08604	12.8
119.38931	1.3
121.10146	45.9
123.08022	2.0
131.08540	3.2
133.10167	12.3
135.08044	2.2
135.10718	2.6
135.11705	56.4
145.10112	7.3
145.28259	1.5
147.11716	9.7
149.13271	32.4
159.11659	2.8
161.13254	5.8
163.14879	10.3
171.11726	1.8
175.14758	2.0
177.12837	1.6
179.21399	1.5
185.13152	1.5
241.19467	1.3
259.20599	7.4
291.23190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.2
58.74965	0.4
60.04524	2.8
69.07060	1.3
72.04521	12.8
72.08159	24.8
81.07064	1.0
84.05628	0.6
95.08621	0.6
107.08563	1.0
110.07165	2.8
114.09171	73.3
119.08557	0.6
121.10154	0.8
122.07165	1.0
130.06532	5.4
132.08057	0.8
144.08090	11.7
159.09203	8.1
166.43126	0.6
170.06093	1.3
178.13350	12.0
184.07593	1.0
185.07159	2.0
188.07127	2.9
222.26294	0.5
227.08168	3.6
245.09111	4.0
257.91876	0.7
273.08813	0.8
291.21790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78282	2.1
55.05522	4.0
57.03448	100.0
59.05002	26.6
60.20909	2.5
63.56480	2.5
67.05504	5.0
69.07053	3.8
69.72139	2.9
79.05510	6.5
81.07067	28.1
91.75198	2.4
93.07058	5.6
95.04982	5.6
95.08611	5.9
97.10162	4.1
99.08080	15.3
105.07021	3.6
107.04969	5.1
107.08615	10.1
111.08060	4.3
115.07549	10.9
116.98581	3.5
117.06995	4.1
119.08588	12.7
121.06553	4.3
123.08095	15.1
130.06551	3.7
131.08589	3.7
133.06482	3.8
133.10138	2.7
137.09631	3.1
145.10106	5.1
147.08107	4.3
149.09576	3.6
151.07487	9.7
157.12260	23.6
159.09149	4.9
161.09604	3.2
163.11211	4.5
173.09750	2.9
185.07123	3.6
207.13776	3.5
232.09618	3.2
263.10574	3.2
273.18506	20.5
291.06763	3.1
291.09811	5.8
291.12503	4.7
291.19406	57.8
297.18405	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
57.03436	0.4
57.98638	0.3
58.06625	0.4
67.05504	0.5
68.13576	0.3
69.07058	2.0
71.04983	0.4
72.08102	0.3
73.01667	0.3
79.05489	0.6
81.07052	2.0
83.91837	0.3
84.04530	0.3
85.02923	2.3
85.06538	0.5
87.00812	0.3
89.51633	0.3
91.05418	0.4
93.07026	1.2
95.04957	0.4
95.08603	1.9
97.06516	0.6
98.97565	0.4
99.08086	1.5
105.07041	1.2
107.08607	1.3
109.06538	0.4
109.10147	0.6
111.11690	0.7
114.10324	0.5
118.06665	0.4
119.08554	0.5
121.10144	1.4
121.41579	0.3
123.11715	0.6
130.06525	9.5
131.00159	0.3
131.08586	1.3
132.08067	1.9
133.10110	0.4
135.08028	0.3
135.11754	0.6
137.05933	0.3
144.08093	100.0
145.10088	0.4
145.96375	0.3
146.05984	1.6
146.09665	1.6
147.08105	0.4
157.10141	0.5
158.09654	25.6
159.07915	0.6
159.09164	10.8
160.07579	0.5
163.14832	0.5
165.09087	2.2
170.06056	2.3
170.07227	0.8
170.09679	1.5
171.08092	0.4
172.11179	3.9
184.07587	1.8
185.07112	3.9
187.07489	0.5
188.07068	4.0
198.12677	0.4
200.07072	1.3
201.10243	1.3
202.08687	0.4
212.14374	1.9
216.13847	4.1
217.09940	0.5
227.08197	4.7
230.15425	1.9
231.10237	1.3
232.09776	0.4
234.14845	9.0
242.15401	0.5
245.09241	9.6
248.16508	2.5
249.11244	2.1
255.07642	0.5
260.16437	4.3
270.59460	0.3
273.08664	1.9
273.18536	0.6
273.21896	0.3
288.66684	0.3
291.09305	2.6
291.12375	7.5
291.20673	17.5
291.23230	0.8
291.26721	0.5
307.49380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40105	0.4
55.05519	0.5
57.03444	0.5
65.79366	0.4
70.06602	3.2
71.04967	0.4
72.04503	0.9
72.08152	4.6
81.07069	3.9
82.43050	0.4
83.04959	0.5
83.08630	5.8
84.04503	6.1
84.07677	0.5
84.08151	11.3
85.02907	1.0
85.06541	0.5
90.72444	0.4
98.06059	0.6
98.09690	0.9
99.08061	0.7
108.08132	0.6
109.06523	0.9
114.05542	0.5
114.09171	26.1
115.08701	2.3
116.07068	1.7
121.97648	0.5
124.99120	0.5
126.09152	6.6
127.07615	3.3
127.08669	2.8
130.05008	3.0
131.11812	2.0
138.43645	0.5
142.05040	1.4
143.00136	0.8
143.11807	27.8
144.10194	6.4
153.13979	0.4
156.06462	0.5
157.09724	3.5
157.13353	0.5
162.11281	5.4
170.04575	0.6
175.11894	0.8
178.11830	0.9
185.12813	0.6
190.14391	0.6
195.14948	3.4
197.12856	2.2
198.11250	3.8
204.10190	0.7
210.11263	2.1
215.13930	1.6
231.17062	0.8
249.18080	30.2
263.14963	0.7
273.14371	5.2
274.12900	2.5
274.17685	3.9
291.12997	3.8
291.15851	4.4
291.20258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01893	0.6
55.05515	2.9
57.07083	0.8
62.36440	0.3
67.05511	2.8
69.03434	3.0
69.07073	6.5
71.05016	1.2
79.05501	4.6
81.07060	9.1
83.04979	1.9
83.08611	2.4
85.02907	0.5
85.06542	0.8
91.05473	2.8
93.07047	15.0
95.04955	1.5
95.08613	6.3
97.06551	0.9
97.10172	0.8
99.08089	0.4
105.07053	5.0
107.04967	2.4
107.08605	12.8
109.06525	15.6
109.10172	4.3
111.08067	0.9
111.11726	2.8
113.09637	0.4
117.06971	0.6
119.08595	4.0
119.92534	0.4
121.06509	2.0
121.10145	39.6
123.08079	2.8
123.11701	1.6
125.09622	4.4
127.05888	0.6
129.06967	0.5
130.06522	4.3
131.08569	3.1
132.08081	0.7
133.06458	0.8
133.10089	2.3
135.08080	6.8
135.11667	0.8
137.09637	2.6
139.11182	3.9
143.08612	0.6
144.08075	1.3
145.10159	2.6
146.06015	0.7
147.08035	1.5
147.11745	2.8
149.09630	14.0
149.13277	0.8
151.07562	1.6
153.09061	0.7
156.09340	0.7
157.10092	2.8
159.08046	1.0
159.09189	6.5
159.11624	0.6
161.09602	0.6
161.13162	0.6
163.11128	0.4
165.09099	4.3
165.12720	0.5
167.10669	100.0
169.10091	0.5
170.05981	2.0
171.11748	1.6
172.12437	0.5
173.09660	0.7
173.13284	4.4
175.11159	3.1
182.10912	0.4
184.07567	1.7
185.07086	1.5
187.14841	0.7
188.07130	3.0
189.12717	1.7
191.10654	5.0
191.14267	4.1
193.12253	0.4
197.13243	2.0
199.11076	0.5
200.07104	0.9
201.10275	0.4
213.12712	0.4
213.16402	1.5
215.14325	3.1
217.12476	0.5
227.08266	2.9
231.17409	0.7
233.15350	11.5
237.16426	0.4
245.09222	6.1
245.18951	0.5
249.18498	0.5
255.17421	2.0
273.08682	0.7
273.18509	8.0
286.22614	0.4
291.09576	0.5
291.19556	19.0
291.26755	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	291.1957
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
55.05515	8.8
57.07087	2.3
59.43671	1.7
67.05513	21.9
67.33957	1.7
69.03413	2.3
69.07054	3.8
73.26690	1.6
79.05496	9.2
79.45268	1.9
81.07063	21.3
83.08621	7.5
91.05507	17.3
93.07035	17.1
95.04957	3.2
95.08608	16.8
97.06519	2.9
99.08129	2.5
105.07023	13.7
107.04947	8.0
107.08614	13.3
109.06590	2.5
109.10165	9.7
111.08136	2.0
117.06984	2.8
119.08603	15.9
121.06501	10.4
121.10155	11.9
123.08051	3.4
124.65031	1.7
129.07018	4.3
131.08591	11.0
133.06506	8.9
133.10152	13.6
135.08061	4.1
135.11674	2.1
137.09627	11.8
142.60971	1.8
143.08533	4.2
145.10120	7.2
147.08090	11.2
147.11673	3.3
149.09625	95.6
151.11211	2.7
157.10101	3.4
161.09618	16.6
161.13266	2.1
163.11159	6.6
165.09102	3.2
171.11722	3.5
173.09647	2.6
175.11102	12.8
189.12784	7.9
199.11171	3.2
213.12721	2.0
227.17871	3.6
227.62466	1.8
245.19058	28.3
255.17470	11.0
273.18536	65.8
291.16351	3.3
291.19586	100.0
291.22751	3.5
291.27145	3.7
305.61203	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	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.05517	5.3
67.05517	5.6
67.52651	0.7
69.03431	0.7
69.07061	4.2
71.05010	0.7
79.05509	5.8
81.07066	7.8
83.04991	1.0
83.08635	4.6
86.09694	1.5
91.05478	3.5
92.17860	0.9
93.07037	9.6
95.04953	1.5
95.08598	5.7
97.10163	3.8
104.10738	4.4
105.07047	4.6
107.04915	1.0
107.08615	6.2
109.10148	2.4
114.10291	1.2
117.07005	1.1
119.08573	5.2
121.10154	8.4
122.56355	0.6
123.08055	1.0
124.99960	0.7
125.09583	1.4
131.08569	3.6
133.06549	1.0
133.10114	4.1
135.11664	4.3
137.13167	0.8
143.08575	1.4
145.10112	3.2
147.08041	3.9
147.11700	2.5
149.09634	1.0
149.54858	6.5
157.10104	1.2
158.55438	2.6
159.09195	0.8
159.11755	0.9
161.13246	0.9
171.11659	0.9
175.11214	1.0
175.14688	0.7
184.07289	0.8
217.19498	0.8
223.13341	1.1
223.46481	0.5
232.09660	0.9
240.09908	3.6
249.14894	1.0
259.20758	0.8
262.15607	0.7
270.65009	3.0
273.18506	2.6
291.19568	100.0
291.23111	6.2
294.59451	0.7
301.19885	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01862	5.1
55.05523	12.5
55.41578	1.0
55.41847	1.0
57.03429	1.1
66.79589	0.9
67.05508	16.7
69.03452	1.4
69.07074	9.6
71.04961	1.2
79.05145	1.1
79.05505	18.9
81.03396	2.4
81.07067	43.3
83.04965	1.2
83.08639	8.8
83.17149	1.3
85.02916	1.7
91.05489	10.7
93.07061	16.2
95.04973	15.5
95.08601	11.0
95.12988	1.2
97.06520	1.5
97.10181	9.6
105.07032	16.1
107.04939	6.0
107.08596	12.9
109.06490	6.5
109.10191	7.4
111.08011	1.8
117.07011	11.0
119.04945	1.6
119.08581	20.6
121.06503	9.2
121.10162	8.9
123.08054	15.2
125.09600	5.2
129.06979	5.3
129.68617	1.0
131.08588	11.4
133.06480	1.3
133.10101	6.8
135.08037	7.1
135.11647	4.8
137.09601	1.5
143.08530	3.9
145.10135	14.7
147.08038	16.8
147.11697	1.3
149.09615	5.3
151.07539	2.0
151.11145	1.3
153.09122	2.2
157.10115	5.6
159.08069	1.7
159.11726	4.2
161.09596	5.9
163.11206	8.3
165.09099	5.2
171.11641	1.6
173.09592	1.2
175.11127	1.7
185.13225	5.0
189.11246	1.8
193.12312	2.5
217.61649	1.2
223.13278	4.2
227.18002	1.5
245.19080	1.3
249.14886	5.3
255.17354	4.7
271.98145	1.1
273.18454	21.2
291.19540	100.0
291.26944	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.94159	0.7
55.05522	4.7
64.07378	0.8
64.86224	0.9
67.05512	4.2
69.03454	1.6
69.07075	3.9
79.05498	2.2
80.57655	0.9
81.07069	6.1
83.04991	1.3
83.08628	2.0
84.93881	1.1
91.05471	2.0
93.07044	8.6
93.91549	0.9
95.08620	2.1
97.10181	1.9
105.07021	2.4
107.04954	1.3
107.08601	5.5
109.10167	1.3
114.10330	1.8
119.08610	5.0
121.10152	1.4
125.09600	1.2
130.06531	1.1
131.08575	1.9
133.10051	1.2
145.10092	1.3
147.08047	2.0
147.11711	1.3
149.13275	1.5
161.09560	1.4
231.08250	1.3
232.09665	1.4
245.09067	1.2
273.18604	2.4
291.10382	8.3
291.19562	100.0
291.22971	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	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01861	5.1
55.05518	3.1
57.03434	5.3
67.05517	15.6
69.03415	1.8
69.07082	2.5
70.69881	1.4
79.05496	18.5
81.07070	22.5
83.05004	1.9
83.08634	3.0
91.05496	11.4
93.07048	22.7
95.04971	10.2
95.08632	9.3
97.10156	1.9
103.41863	1.3
105.07022	6.3
107.04959	2.9
107.08607	18.7
109.06517	28.9
109.10155	5.2
117.06998	6.1
119.08595	10.7
121.06486	2.8
121.10164	11.5
123.08063	2.9
129.07008	2.8
130.06493	3.1
130.93724	1.3
131.08557	11.7
132.55499	1.5
133.10156	4.8
135.08064	37.8
135.11684	7.7
143.08569	5.7
145.10139	6.7
147.08049	6.2
147.11664	4.8
149.09605	5.5
157.10109	5.1
159.09160	2.1
159.11729	2.3
161.09647	5.0
169.10167	1.8
171.11610	5.3
175.11180	2.8
177.12646	1.7
185.06979	1.4
217.15895	2.7
237.16283	1.5
245.09193	2.1
245.19080	1.7
255.17503	1.8
261.21954	1.9
273.18478	24.5
291.19559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01875	1.9
55.05515	3.9
57.03427	2.2
57.07079	1.5
64.75037	0.8
67.05494	4.6
69.07057	1.5
70.06584	1.3
71.04984	1.4
75.23138	0.8
75.98554	0.9
79.05524	3.3
81.07074	6.8
83.04979	1.3
83.08626	3.5
85.06545	1.4
88.07619	1.2
91.05476	5.5
93.07067	9.5
95.04972	3.9
95.08609	7.4
97.06521	1.0
97.10175	1.0
105.07015	5.1
107.04996	1.0
107.08589	4.8
109.06538	7.7
109.10148	2.1
111.08092	40.0
114.10281	1.5
117.07013	4.4
119.08602	8.0
121.06505	1.1
121.10127	4.1
123.07367	1.1
123.08091	16.5
129.06993	1.4
130.06543	1.2
131.08588	8.1
133.06479	1.8
133.10117	6.5
135.08066	8.7
135.11699	1.8
137.09639	1.3
143.08565	4.0
145.10147	6.7
147.08049	6.8
147.11632	3.4
149.09605	5.0
151.07553	100.0
157.10117	3.5
159.09210	3.2
159.11736	1.8
161.09680	6.3
161.13268	1.2
163.11212	2.1
170.06029	1.1
171.11705	3.3
173.13274	1.9
175.11240	2.1
177.09119	1.6
179.10684	4.9
185.07147	1.3
188.07031	1.4
189.11079	1.3
189.12747	31.7
191.10622	1.1
197.11742	12.7
197.13310	1.5
199.11249	1.3
207.13803	57.4
213.16508	1.1
216.85428	0.9
217.12273	2.1
229.23572	10.5
232.09666	4.2
233.15445	1.5
235.13268	1.7
245.09172	3.2
255.17357	1.7
270.56122	0.9
273.18478	12.2
290.08624	0.9
291.19562	90.0
291.27136	18.2
306.41333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1958
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
57.10600	1.3
58.13443	1.1
67.05492	1.6
81.07082	3.0
83.08611	2.4
88.50655	1.2
91.75296	1.2
93.07024	5.8
95.04971	2.2
95.08610	8.9
97.06530	1.6
105.07054	1.6
107.04948	5.1
107.08625	5.3
109.06566	1.8
109.10136	2.0
111.08076	29.3
119.08594	2.3
119.25294	1.3
121.10128	6.6
123.08066	13.8
131.08548	5.2
133.10127	6.4
135.08054	6.5
135.11763	1.9
137.09647	2.5
145.10098	12.5
147.08060	3.0
147.11673	5.9
149.09621	2.8
151.07538	100.0
157.10175	2.6
159.11694	5.3
161.09656	2.6
163.11156	2.6
171.11682	2.4
173.13266	7.6
177.09158	2.0
179.10626	2.2
187.11113	1.8
189.12737	23.8
191.14340	5.3
197.11711	13.2
197.13316	2.6
207.13806	64.2
207.21281	1.3
211.13373	1.4
213.16444	2.3
215.14333	2.6
217.12196	2.9
230.72768	1.4
233.15363	14.8
273.18552	12.4
280.12238	1.4
291.19540	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1958
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.63820	1.0
52.66755	0.9
55.01869	6.9
55.05526	10.7
57.03433	6.6
59.04990	1.5
67.05521	14.2
69.03419	1.8
69.07069	9.2
71.04990	1.5
77.11320	1.1
78.54450	1.2
79.05511	18.6
81.06607	1.7
81.07066	38.1
83.04967	1.4
83.08629	5.7
91.05489	9.1
93.07053	21.1
95.04974	12.3
95.08612	13.1
97.06524	5.0
97.10152	7.9
99.08082	1.3
103.19672	1.3
105.07051	15.6
107.04945	6.0
107.08621	11.8
109.06528	10.8
109.10152	8.1
111.08058	2.9
117.07032	8.7
119.04823	1.2
119.08581	19.5
121.06511	9.9
121.10128	7.8
123.08082	14.0
125.09632	2.6
129.06964	2.7
130.06514	5.8
131.08554	12.7
133.10126	7.3
135.08044	12.1
135.11687	5.0
137.09616	2.8
143.08533	5.5
145.10135	14.3
147.08102	12.7
147.11659	3.1
149.09622	9.5
150.41080	1.3
151.07477	2.9
154.33742	1.4
157.10130	5.6
159.07979	1.7
159.09225	5.4
159.11742	3.1
161.09616	6.3
163.11134	9.3
163.14853	1.6
165.09132	1.5
171.11676	2.7
175.11159	2.7
183.55753	1.2
185.13309	1.5
188.07101	2.0
189.11133	1.8
189.12755	3.1
193.12218	1.9
217.67188	1.4
223.13231	2.2
245.09222	6.1
249.14815	4.7
255.17407	4.6
273.18527	28.0
291.10065	1.8
291.19550	100.0
291.26654	2.1
310.48126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.34990	0.8
55.05510	4.2
55.89556	0.9
57.07056	1.4
59.04983	1.5
71.04981	1.3
79.05492	4.7
79.96381	0.8
81.07053	2.3
83.08633	6.9
91.05474	2.1
93.07051	9.3
95.04952	2.2
95.08606	12.1
97.06511	1.6
105.07011	2.1
107.04949	8.6
107.08585	7.2
109.06499	4.4
109.10159	1.7
111.08080	37.5
119.08571	4.8
121.06532	1.3
121.10109	6.4
123.08070	18.9
125.00411	1.0
125.09589	1.5
131.08540	5.3
133.06479	1.6
133.10135	4.9
135.08054	5.9
135.11662	1.6
137.09608	1.8
141.05455	1.7
143.08421	1.0
145.10112	2.2
147.08017	1.3
147.11658	6.4
149.09583	7.0
151.07538	100.0
155.10654	1.7
157.10088	4.2
161.09596	2.1
163.11179	5.6
171.11668	4.6
173.13286	6.8
175.11166	4.9
179.10696	4.3
189.12746	25.0
191.14310	17.5
197.11748	15.7
197.13315	2.2
205.12218	1.1
207.13791	62.0
211.13200	1.4
213.16475	1.4
215.14293	3.9
217.12253	2.4
231.17476	1.1
233.15350	45.1
255.17513	1.8
273.18509	8.7
291.19534	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1958
Annotation	8-Acetoxy-3-methoxycalamenene
Peak:m/z	Relative Intensity
56.34105	0.3
57.07056	1.6
73.64861	0.3
77.50313	0.3
80.25408	0.3
88.07578	0.3
114.69377	0.3
116.74422	0.4
133.30940	0.3
147.04497	0.4
197.38280	0.4
203.10663	1.3
217.15953	0.5
233.15372	5.3
249.18509	100.0
265.95316	0.4
291.19580	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
57.04563	0.6
60.05634	0.5
65.37527	0.3
67.05547	0.5
70.06598	2.5
72.08160	15.6
74.07201	0.8
81.07072	0.6
84.08131	1.0
86.09707	0.9
89.10799	6.7
91.05492	1.5
97.07655	0.8
98.06077	0.9
102.05606	0.5
110.52488	0.5
113.28358	0.5
114.09153	1.5
114.10291	12.9
115.08712	2.7
115.10622	1.7
119.04925	3.8
119.69007	0.4
120.08092	0.8
125.66099	0.5
128.11847	27.3
129.10237	3.3
129.31290	0.4
130.05029	0.6
130.06544	2.4
132.10178	0.7
136.06203	1.6
137.05978	0.7
145.02853	1.0
145.14525	3.0
146.03162	0.8
146.06009	0.6
147.04419	100.0
159.09161	0.9
159.11754	0.5
160.07593	2.6
165.53761	0.5
170.06088	0.4
174.09081	0.9
177.05463	2.9
178.05840	2.8
185.07182	0.6
187.11617	0.8
188.06996	0.9
217.13376	6.9
218.11771	14.3
226.08571	0.5
227.08249	0.4
229.16017	0.5
232.09729	3.8
235.14551	3.8
245.09213	1.9
245.12788	0.7
247.17383	0.5
248.14708	2.9
250.13036	3.7
260.13974	2.3
273.08627	0.7
273.11853	0.5
274.11069	0.4
274.15414	4.2
291.12762	2.0
291.15076	3.5
291.18149	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94206	0.3
57.04581	0.4
60.05656	0.3
70.06595	1.5
72.08165	13.9
74.07195	1.5
78.23457	0.3
84.08191	0.5
85.02934	0.5
86.09709	0.6
88.03962	0.4
89.10801	7.3
91.05494	1.6
97.07653	0.8
98.06060	0.6
102.05544	0.5
114.09197	1.4
114.10295	9.8
115.08688	1.8
116.15262	0.4
119.04945	4.2
120.08085	0.4
128.11847	29.1
129.10254	2.5
130.05014	0.7
130.06506	2.6
131.12933	0.6
132.10214	1.6
144.08101	0.4
145.02893	0.5
145.14484	1.6
146.05998	0.5
147.04420	100.0
154.35635	0.4
156.52940	0.3
159.09262	0.5
160.07594	2.3
163.03960	0.4
169.32074	0.3
174.09203	0.9
177.05470	2.4
178.05835	2.0
184.07686	0.5
185.07259	0.5
186.11232	0.5
186.14871	0.4
187.11578	1.8
188.07161	1.5
217.13387	9.6
218.11772	13.4
226.08604	0.3
227.08147	0.4
232.09770	2.4
235.14442	4.4
242.99051	0.4
245.09241	1.4
245.12869	1.4
246.10707	0.3
248.14764	2.3
250.12996	2.4
260.13931	2.5
268.93823	0.4
273.12131	0.9
274.11484	0.6
274.15488	4.9
291.18152	74.6
302.72980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1456
Annotation	Trimethoprim
Peak:m/z	Relative Intensity
55.03007	0.5
55.05521	2.9
69.03410	0.5
70.06585	0.6
72.08161	9.9
85.02887	0.7
86.06058	0.7
86.09706	0.5
90.97578	0.4
92.18417	0.5
97.07669	3.8
107.08603	0.4
114.10291	6.4
127.03969	0.5
131.08122	0.4
132.08562	0.5
134.06020	4.2
142.70634	0.4
150.05505	2.5
162.05501	9.4
178.05002	17.5
180.14696	0.5
185.18475	0.5
189.06639	0.6
190.05009	31.9
203.11836	2.3
204.10214	13.8
227.11813	0.7
229.09743	7.6
231.11281	12.0
232.09695	77.6
246.12485	1.1
249.12389	1.7
255.07697	0.4
273.12369	3.4
274.11880	11.2
291.14532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1448
Annotation	Trimethoprim
Peak:m/z	Relative Intensity
50.80869	0.4
70.06568	0.7
72.08158	20.8
92.18398	0.8
97.07659	10.9
114.10288	68.9
119.03587	0.4
127.56824	0.4
163.03889	1.7
178.04970	9.6
180.22934	0.5
190.05013	2.5
220.09813	0.5
232.09674	100.0
249.12370	1.1
274.11710	2.1
291.14493	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1339
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
54.82148	0.2
59.53457	0.2
73.10925	0.2
84.04504	0.4
85.02901	4.8
87.00835	0.3
88.03991	0.4
91.05464	0.3
92.18432	0.4
93.75262	0.3
95.08647	0.3
102.05536	0.3
107.08504	0.3
115.05459	0.3
117.07020	0.5
119.08655	0.3
121.10081	0.3
130.06522	18.4
132.08075	4.0
142.06525	0.4
143.07327	0.6
144.08083	100.0
146.06009	3.8
156.08098	0.4
158.06021	0.3
158.08392	0.3
159.09172	22.2
160.07545	1.2
161.10722	4.0
167.01103	0.3
169.07729	0.3
170.05989	5.2
174.03918	0.3
181.07544	0.4
183.09203	0.6
184.07562	5.0
185.07097	8.7
187.08656	0.6
188.07066	10.5
197.66132	0.2
199.08597	0.3
200.07091	2.4
201.10197	4.2
205.09691	0.4
209.07158	0.4
227.08141	11.0
227.11797	1.7
231.07655	0.3
245.09154	19.4
245.12790	6.1
255.07617	0.4
256.09805	0.4
273.08627	3.5
273.12134	0.6
274.10574	0.3
291.09726	2.5
291.13306	13.6
291.19315	0.4
292.78653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.13
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.0
60.05654	9.9
61.53547	0.8
69.03432	1.0
69.47546	0.9
70.06594	38.0
71.04987	5.3
71.21809	0.9
72.08137	1.3
84.96021	1.0
85.01392	1.9
85.02900	1.5
88.03984	1.6
88.07687	1.0
91.17799	0.9
95.06074	4.1
98.97528	1.2
103.02454	13.1
111.05581	2.0
112.08727	14.5
113.00866	1.0
113.07105	1.9
114.10299	0.9
115.08675	9.2
116.03455	2.2
116.07088	23.1
116.12679	1.0
119.01917	1.2
121.03468	1.6
124.99184	1.4
129.03979	4.5
130.09747	4.2
131.01880	4.5
133.09724	1.4
134.04469	4.9
138.10295	0.9
139.02454	1.0
140.07101	1.1
140.08235	1.1
141.06596	1.3
143.00191	2.0
143.01889	1.0
147.01364	1.9
147.05028	2.0
157.03450	11.6
157.10818	1.5
158.09302	7.0
159.07628	4.1
161.02885	1.1
168.06535	3.6
173.02966	8.9
174.99319	1.1
175.00923	1.2
175.11899	41.2
175.13406	1.6
176.06685	1.3
185.02972	1.5
186.07568	1.5
193.49739	1.0
195.07524	1.1
196.05965	1.9
201.02455	5.8
210.08693	1.9
213.08720	2.0
214.07137	4.1
219.03557	1.2
224.47719	1.1
227.00383	1.0
228.09737	1.2
229.01932	8.1
231.09753	1.2
232.08101	9.8
238.08115	2.3
248.99162	1.2
256.09164	1.8
262.58725	1.1
273.00940	5.8
273.03799	0.9
291.01935	6.3
291.04776	5.1
291.12979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19629	0.9
55.01871	1.1
55.05517	4.7
55.96618	1.0
56.96571	2.0
57.03442	1.9
57.07072	1.7
57.74166	1.0
58.99586	2.0
59.88089	0.9
66.91290	0.9
67.02475	1.0
67.05177	1.8
67.05511	34.4
67.45173	1.0
69.03427	1.4
69.07074	7.3
70.06592	1.6
71.04996	90.9
72.08148	2.4
79.05510	9.4
81.06609	1.4
81.07067	32.8
83.04987	5.4
83.08618	2.0
84.04508	6.7
84.08146	2.0
85.02904	1.4
85.04839	2.1
85.06548	100.0
86.99036	2.2
87.04456	1.2
91.05489	28.4
91.35827	1.1
93.07040	12.4
95.04943	1.2
95.08595	1.5
97.06550	11.6
99.04450	1.3
100.11272	3.7
105.00089	2.4
105.07046	24.9
107.08600	31.1
109.06510	4.5
109.10165	47.2
113.06017	2.0
114.10355	1.3
116.12824	1.0
119.08640	1.1
121.10118	2.0
123.08047	2.0
123.11732	8.2
125.09595	2.1
127.07599	1.7
131.04945	6.1
131.08557	1.5
133.10133	79.5
133.39746	1.1
134.10551	1.4
139.11211	4.7
144.08170	2.3
151.11185	58.6
157.12212	1.7
158.09637	1.9
169.12230	55.2
170.12566	1.7
171.31383	1.2
172.11140	1.2
185.09897	2.2
187.13303	1.5
188.10757	1.7
203.06952	2.0
227.05931	10.7
228.10184	1.9
245.06950	6.5
273.12439	2.3
273.19489	1.9
274.10800	4.9
291.09882	2.8
291.13403	12.2
291.17065	8.3
291.20615	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	291.1229
Annotation	2-(Acetyloxy)-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
Peak:m/z	Relative Intensity
50.33870	1.5
53.00324	1.7
53.95980	1.9
55.01887	1.7
55.05508	2.2
56.45828	1.6
57.03196	2.0
57.03447	42.9
59.05010	52.0
63.58201	1.8
65.26279	1.7
67.05511	2.7
79.05474	2.4
81.07059	9.0
81.96420	1.8
83.72670	2.1
90.81332	1.9
91.05488	7.5
93.07043	3.9
95.08555	2.5
97.06536	2.5
99.08094	4.6
105.07024	3.6
105.50651	2.1
107.08596	8.1
109.10152	3.4
111.67074	2.4
115.07567	7.9
117.09144	4.3
119.08593	3.7
121.10144	2.8
129.07036	3.5
130.06543	15.1
131.08563	10.2
132.08139	2.6
143.08507	3.1
145.10144	2.0
149.09653	2.6
151.07613	2.5
157.06465	2.4
157.12277	5.1
159.08015	11.3
159.09207	11.0
161.09610	2.9
170.07266	13.5
171.08018	4.6
185.07169	7.9
186.55403	2.2
187.07564	12.1
188.07123	3.5
189.09087	3.9
198.06807	3.0
204.07848	8.4
216.07861	15.7
221.11792	2.1
227.08224	7.8
231.10127	25.9
232.09604	2.9
245.09253	14.4
249.11211	37.9
273.18491	8.7
291.12292	100.0
291.19406	22.3
299.82755	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	291.0976
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
52.83110	0.7
54.44076	0.7
57.06851	0.7
61.54222	0.8
79.31570	0.9
80.65769	0.9
88.03981	1.2
118.06535	4.7
120.16468	1.0
126.98955	0.9
130.06532	94.9
132.08084	16.3
139.95891	0.9
142.06523	4.8
144.08060	5.1
146.06003	18.5
156.02930	1.2
156.08104	2.1
157.07652	2.0
158.08382	3.6
159.09171	100.0
160.07599	4.4
168.41534	0.9
169.07585	1.6
170.06020	29.1
175.70805	0.9
181.07581	2.2
183.09175	5.0
184.07587	25.5
185.07100	43.5
187.08672	7.7
188.07069	54.2
188.08749	1.9
199.08664	2.1
200.07109	13.6
201.10207	18.5
209.07108	1.5
227.08150	52.3
229.09792	3.9
231.07626	3.5
245.09212	85.4
255.07767	2.0
273.08728	18.6
291.09744	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	291.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06176	0.1
55.93523	0.8
58.59747	0.1
60.03718	0.1
69.36491	0.2
70.06590	1.0
71.04996	0.2
72.04510	0.3
72.08155	0.2
74.02442	1.4
77.03937	0.2
79.67494	0.2
85.02906	0.9
86.06055	0.8
86.09695	0.3
88.03501	0.2
88.03999	5.0
97.02869	0.2
99.04438	0.2
100.87268	0.2
103.05421	0.2
105.07046	0.2
107.04923	0.2
115.05465	0.2
116.03444	2.2
116.07146	0.3
127.03882	0.3
130.06535	100.0
132.06581	0.6
133.06615	0.2
134.04497	11.4
146.05969	0.2
146.08159	0.3
147.04417	0.3
158.06018	0.8
165.97115	0.3
175.99051	0.2
176.07089	0.6
178.97861	0.2
179.98692	3.4
181.96649	0.3
182.05983	0.6
184.07550	0.3
185.07260	0.2
191.98610	0.2
193.96625	1.3
195.98262	0.6
198.96974	0.2
199.08696	0.7
200.07195	0.2
205.09729	0.3
206.00346	0.3
207.98222	0.3
209.96307	0.2
211.97716	0.6
219.98244	0.2
224.01343	1.2
225.16562	0.2
227.08293	0.3
227.12053	0.2
228.06471	0.3
237.99313	0.2
245.09158	0.6
245.12851	0.3
273.08765	2.1
273.12247	1.8
291.09790	4.3
291.13431	3.4
291.19833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0977
Annotation	Indole-3-acetyl-L-aspartic acid
Peak:m/z	Relative Intensity
51.25617	0.2
53.65744	0.2
70.95553	0.3
74.02441	1.6
86.15724	0.2
88.03996	3.8
97.78395	0.3
98.05701	0.2
116.03455	2.3
130.06541	100.0
134.04492	10.9
176.07159	0.3
245.09065	0.3
273.08667	1.9
291.09824	3.5
291.16849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42718	0.9
55.31062	0.7
63.81481	0.7
71.05476	0.8
81.98763	0.9
92.51431	0.8
93.91319	1.0
101.87721	0.8
115.05417	1.1
118.06531	2.0
123.80504	0.9
130.06535	77.6
132.08105	13.4
142.06531	3.7
144.08105	4.4
146.06024	21.0
156.02863	1.0
156.08144	1.4
157.07619	1.7
158.08400	2.0
159.09186	100.0
160.07570	6.2
169.07626	1.8
170.06017	29.6
174.04004	1.9
181.07643	3.6
183.09189	4.6
184.07605	17.6
185.07103	41.2
187.08684	5.0
188.07069	45.3
199.08652	2.0
199.94557	1.2
200.07088	11.8
201.10222	14.5
209.07150	1.9
227.08156	45.1
229.09769	3.6
231.07677	1.9
245.09219	85.3
255.07690	4.4
270.89716	1.2
273.08694	16.4
290.96161	1.0
291.09836	8.5
306.46979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21434	1.4
56.96557	2.3
58.43757	1.4
60.05656	10.9
70.06234	2.9
70.06596	52.2
71.04984	7.8
72.08131	1.6
75.44668	1.8
84.04463	1.5
84.08118	2.0
84.96033	2.3
85.01393	2.9
88.03996	3.4
88.07640	1.7
95.06081	3.0
95.33157	1.6
98.06040	3.1
98.97588	2.8
103.02466	17.4
103.33885	1.3
111.05551	9.7
112.08717	10.9
113.07126	2.0
114.90713	1.3
115.08684	12.3
116.03471	3.1
116.06327	2.1
116.07100	33.0
121.03471	2.8
124.99119	3.0
129.03975	5.8
130.09741	2.1
131.01912	7.2
134.04485	6.3
142.05074	1.5
143.00128	6.6
145.03465	2.4
147.01337	2.5
155.01881	1.6
157.03448	18.9
158.09267	11.1
159.07660	7.3
161.01259	2.2
168.06427	2.6
173.02902	12.7
175.04474	3.0
175.11906	38.0
176.06702	2.7
177.91492	1.5
185.02945	3.2
185.09282	1.5
186.07581	2.3
195.07643	1.9
196.06047	2.3
201.02475	3.0
203.03989	2.0
211.00987	1.7
214.07161	2.5
214.45235	1.6
223.01222	1.7
225.01532	1.5
229.01936	13.0
232.08171	10.9
273.00949	11.4
273.11743	2.4
291.01923	10.9
291.04324	19.2
291.12991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.9475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73071	0.2
55.57593	0.2
56.96572	4.3
61.06300	0.2
71.95277	0.2
98.97585	100.0
114.40291	0.2
116.98618	44.2
131.44894	0.2
134.99658	10.2
140.00179	0.5
153.00742	0.6
189.06184	0.3
211.38329	0.3
219.02014	1.2
230.92604	1.0
230.96310	1.9
248.93698	4.0
248.97485	1.0
266.94620	0.4
272.90726	0.4
272.93729	11.7
272.97455	5.6
273.08170	0.3
290.94745	55.7
304.96439	0.3
308.95773	8.8
308.99200	0.4
313.96255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40139	0.3
50.82101	0.3
51.28806	0.3
56.22529	0.3
57.07084	4.2
58.06590	0.4
58.31778	0.3
62.62229	0.4
63.52668	0.3
70.06595	7.0
71.08624	1.4
72.01480	0.4
72.08157	0.6
85.10189	0.8
86.56368	0.3
88.07635	23.4
99.90642	0.4
102.09183	13.0
132.10211	0.8
146.11746	0.6
147.61473	0.4
150.11247	0.4
184.20566	1.4
202.21681	0.4
228.23233	67.2
272.25888	5.0
290.26892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90847	0.5
55.05524	0.7
56.94535	0.6
57.07068	2.9
58.72492	0.6
64.58612	0.6
69.07065	0.8
70.06572	4.6
74.06075	0.8
78.58984	0.6
83.08628	1.0
85.10161	1.2
88.07629	19.2
102.09179	11.5
118.07898	1.0
118.08663	21.3
132.10214	0.7
134.60913	0.7
146.11647	0.7
184.17047	2.7
185.04828	1.1
228.23224	54.9
240.01869	0.6
240.41124	0.6
272.25876	5.6
285.44241	0.8
290.26886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	7.5
57.07082	4.5
58.06612	5.7
60.04512	1.8
71.08635	2.9
74.06083	9.9
79.41739	0.4
84.12401	0.4
85.10170	1.8
86.06065	1.8
88.07637	13.2
104.07089	1.0
118.08658	5.8
122.08134	6.6
222.44322	0.5
242.24789	48.2
272.25797	2.5
290.26907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04824	0.5
56.05045	7.1
57.07079	4.5
58.06604	5.3
60.04527	1.0
61.50261	0.5
63.15779	0.5
68.13027	0.5
71.08618	2.7
71.09119	0.4
74.06081	10.0
74.44549	0.5
85.10161	2.1
86.06062	0.8
88.07639	12.8
89.64213	0.5
94.78318	0.6
104.07096	0.8
118.08656	5.0
122.08148	7.1
186.50745	0.5
192.85803	0.6
206.30980	0.6
228.23241	1.1
228.55956	0.5
242.24774	52.7
272.25787	2.2
290.26892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1753
Annotation	3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one
Peak:m/z	Relative Intensity
56.27531	0.2
69.07050	0.4
73.38321	0.2
79.05518	0.3
81.07046	0.9
82.45109	0.2
85.06497	0.2
93.07014	0.3
93.67790	0.2
95.08566	1.0
105.07021	0.3
106.06545	0.3
118.06502	0.2
120.08117	1.5
121.08892	2.8
122.09657	1.9
123.08060	0.4
130.06543	0.3
131.07341	0.4
132.08099	4.7
134.09659	2.5
144.08073	4.7
144.09900	0.2
145.08800	0.5
146.09677	2.3
148.07562	0.5
149.12015	1.0
157.08849	1.0
158.09642	4.3
159.10425	0.5
160.07578	0.5
160.11258	1.6
162.09123	0.5
170.09654	1.3
172.07596	1.0
173.08403	3.0
174.09131	1.3
176.10692	6.8
177.05511	0.3
177.11537	1.9
182.09618	0.4
184.07594	1.0
184.11247	0.4
185.11870	0.3
186.09105	1.2
186.12772	0.3
187.09946	5.2
188.10689	4.6
190.08597	0.3
191.09370	0.4
196.11174	1.0
197.11769	0.3
198.09140	0.3
198.12740	1.0
199.09912	0.4
200.14336	0.8
204.10197	3.4
205.11079	2.1
206.11760	12.1
210.12775	1.0
221.11928	0.3
226.15880	1.0
228.13782	1.4
228.15921	0.4
236.14328	0.3
239.13039	0.3
242.15410	0.4
244.16849	0.4
254.15443	2.0
272.13498	0.5
272.16425	14.0
290.17484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1713
Annotation	Thr Gly Ile
Peak:m/z	Relative Intensity
56.05048	8.9
57.03433	1.3
60.04530	0.9
66.41726	0.7
67.95871	0.8
70.06592	7.7
72.08161	8.4
74.06084	100.0
84.04505	16.8
84.08131	1.1
86.06062	4.1
86.09709	72.0
87.05592	4.5
96.98080	0.8
103.08706	1.2
104.07134	1.1
113.07140	12.0
114.09171	1.6
115.05039	1.4
116.07088	0.9
116.10690	0.9
126.12791	7.0
131.08170	36.2
132.10207	55.7
141.59863	0.7
143.10687	1.6
143.11801	36.9
159.07648	54.0
159.08968	1.7
159.11232	8.0
164.27216	0.7
171.11282	3.1
176.19432	0.7
187.10770	1.2
189.12344	39.2
201.92249	0.9
209.22606	0.9
216.50455	0.8
220.83992	0.9
244.16475	1.2
245.14925	4.2
272.16055	2.8
286.71985	1.0
290.08447	4.0
290.11530	1.2
290.17178	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	290.15
Annotation	Imazethapyr
Peak:m/z	Relative Intensity
51.32894	0.2
53.64835	0.2
55.03931	0.2
56.05033	0.2
56.74751	0.2
83.85915	0.2
84.04507	7.8
95.54891	0.2
117.07021	0.3
126.05535	0.5
130.04993	2.9
143.00732	0.2
144.08090	100.0
161.10739	5.6
168.06499	0.3
183.97594	0.2
227.11794	2.9
273.12320	4.8
290.14978	15.4
314.50620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60558	0.5
60.04247	0.9
60.04530	15.2
62.05235	0.4
67.12775	0.4
68.65567	0.4
70.02949	0.6
70.06574	2.2
71.08616	2.6
74.06082	3.9
79.05525	0.4
84.04509	4.7
84.08145	0.6
85.02900	1.0
86.09710	91.6
87.05090	0.7
87.05592	14.3
88.11273	19.3
90.05539	0.6
102.05516	1.2
108.04464	0.5
120.06570	7.0
125.01090	0.5
126.05518	1.0
128.10722	8.7
130.05020	0.6
143.11801	27.6
154.01186	0.6
161.26440	0.5
171.11295	6.9
173.12854	100.0
201.12344	36.8
203.13913	3.4
215.13885	0.8
220.84360	0.5
272.16046	6.6
290.17157	2.6
299.76428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58385	0.4
55.05516	1.3
55.58722	0.3
57.07084	4.7
69.07059	0.5
70.02957	4.2
70.06597	0.4
72.08153	1.5
74.02431	0.8
74.09301	0.6
74.09725	15.6
83.08630	7.5
84.04515	4.9
84.08144	1.3
85.02911	10.6
86.06070	0.6
86.09723	1.3
87.00824	0.5
87.04439	0.5
88.04000	10.5
93.07030	0.5
98.06039	0.7
102.05544	6.3
111.08090	2.4
112.03973	0.7
116.03446	0.5
120.08121	3.0
121.06419	0.4
126.05495	0.7
129.01810	0.4
129.10226	1.5
130.05006	51.1
131.03398	1.4
134.04489	4.1
138.09137	0.6
139.07526	1.8
151.03851	0.4
156.10194	0.7
157.08604	1.6
158.07942	0.5
158.11765	19.9
164.10654	1.5
175.09648	2.1
180.90636	0.4
186.11259	100.0
204.08365	0.4
204.12372	9.1
208.09789	0.4
226.10698	3.1
226.14420	1.9
228.15944	2.5
244.11649	0.5
249.03572	0.3
254.10201	7.0
272.11255	3.8
290.09003	0.7
290.12350	3.1
290.15247	1.6
290.19461	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	290.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
53.60465	0.6
54.01579	0.6
59.72116	0.6
60.04540	1.1
61.02934	1.1
64.27904	0.6
65.59909	0.6
70.42568	0.6
80.05028	5.1
81.03419	2.8
84.04509	36.9
85.02863	0.9
87.00835	1.4
96.04477	3.7
98.06060	16.5
103.04004	1.1
108.04488	27.5
109.02884	9.8
124.03909	1.0
126.05519	100.0
127.03988	0.8
127.58717	0.7
129.01846	2.7
138.05536	5.8
144.06566	3.2
145.90059	0.7
147.02916	1.5
150.05527	0.9
168.06548	27.0
186.07700	4.7
249.10999	1.4
254.06578	3.1
272.07666	9.0
290.08612	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	289.2375
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
55.05519	10.5
56.05027	5.2
57.05356	1.0
57.07076	11.0
58.07407	1.4
58.10004	0.8
63.58034	0.8
67.05510	6.9
69.06762	0.8
69.07078	16.5
71.08620	4.8
72.08943	1.1
74.05734	1.1
74.06084	18.6
75.06395	1.7
79.05484	1.9
81.06669	1.1
81.07058	15.7
83.04955	1.1
83.08624	14.4
85.10149	0.8
88.07105	1.7
88.07628	40.2
89.07394	1.4
89.07944	11.5
91.05483	1.7
93.07035	3.7
95.08607	18.1
97.06533	1.7
97.10165	10.9
102.05509	3.8
103.05869	1.0
105.07021	4.0
107.08577	6.2
109.10155	11.1
111.11706	4.9
115.07537	1.3
116.07109	1.1
119.08575	5.3
120.06566	5.8
121.10168	7.9
123.08083	1.1
123.11703	1.9
125.13184	1.1
133.10121	6.8
135.11693	7.1
137.09628	1.7
137.13234	2.1
147.11670	4.0
149.13260	1.5
151.11157	1.5
153.12726	1.5
157.11990	0.9
161.13246	5.7
161.40469	0.9
165.12727	1.5
175.14819	1.3
193.19418	1.7
209.61633	1.1
211.20497	1.5
217.19481	14.2
228.62854	0.9
235.20586	12.4
242.24805	1.2
243.25124	28.7
253.21736	6.4
271.24695	1.6
289.25647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	2.7
55.05523	44.8
57.03424	2.4
57.07080	9.4
60.91705	2.1
67.05515	46.2
69.07075	78.6
70.04070	13.2
71.04997	3.8
71.08623	2.1
79.05502	19.1
81.06607	3.9
81.07066	100.0
83.04978	4.8
83.08626	61.6
85.06561	15.8
91.05498	27.3
93.07049	31.4
95.04959	2.5
95.08050	4.0
95.08613	81.2
97.06534	21.5
97.10169	59.6
99.08138	6.9
105.07029	34.7
107.08604	34.0
109.06546	2.4
109.10168	54.3
111.08074	14.5
111.11713	14.3
115.07587	2.7
117.07019	3.1
119.08575	48.3
121.10152	50.5
123.08073	5.2
123.11709	31.8
125.01546	2.9
125.09620	14.5
126.75673	2.4
131.08583	4.2
133.10141	47.6
135.11711	19.1
137.09625	11.6
137.13275	15.6
139.11186	13.5
144.08173	3.2
145.10114	11.8
147.11690	42.2
149.13245	3.9
151.11217	9.9
158.09659	12.3
159.08066	3.4
159.11674	11.0
161.13226	22.2
163.14763	3.9
165.12764	5.5
172.10271	4.0
173.13281	5.1
175.14861	4.6
177.16447	3.8
179.17955	13.9
203.17952	86.7
204.12628	3.3
221.18994	62.8
222.81371	2.8
227.21114	4.4
228.19611	3.7
239.17902	4.0
239.20059	28.7
244.30934	2.6
246.24223	2.3
253.21605	2.7
257.18985	4.1
258.15070	3.3
271.22659	14.6
281.86447	2.2
289.11615	2.6
289.18671	25.3
289.21857	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	289.2165
Annotation	5alpha-Androstane-3,17-dione
Peak:m/z	Relative Intensity
55.05526	13.8
57.07095	4.0
58.37863	1.1
64.62260	1.2
67.03769	1.3
67.05493	7.0
69.03410	1.7
69.07058	8.5
75.31877	1.2
79.05496	10.4
81.07066	12.6
91.05477	8.8
93.07047	16.1
95.04943	1.6
95.08606	14.7
97.10161	5.9
105.07043	24.7
107.08611	18.8
109.06499	1.7
109.10151	2.9
117.07059	2.8
118.82452	1.3
119.08583	20.7
121.06492	12.8
121.10168	8.5
123.08058	2.9
131.08560	9.1
133.10159	12.8
135.08038	11.1
135.11674	3.4
145.10159	8.1
147.08121	1.9
147.11696	9.8
149.09624	1.4
149.13242	2.2
157.10147	2.9
158.09666	2.5
159.11711	3.3
161.13280	6.4
163.11182	7.0
165.12727	2.1
169.10103	1.5
171.11765	1.9
173.13271	2.7
175.14839	2.8
177.12750	18.6
187.14818	2.4
189.16417	2.0
191.14265	2.2
197.13216	1.7
215.14389	1.7
227.25699	1.9
233.22655	1.4
239.17958	2.0
253.19380	1.9
261.22186	14.1
271.20526	5.1
289.16177	7.7
289.18973	6.9
289.21664	100.0
289.29022	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	289.2163
Annotation	Pipataline
Peak:m/z	Relative Intensity
51.38654	0.9
51.95496	0.9
53.10257	1.1
55.05278	1.0
55.05526	10.9
67.05508	10.8
69.07068	11.8
79.05521	8.3
81.07069	17.0
83.08612	6.3
85.06534	5.3
91.05495	21.7
93.07053	12.1
95.08624	14.5
97.06513	1.3
97.10182	1.9
98.77633	1.1
105.07048	38.1
107.08585	10.4
108.91693	1.3
109.10156	8.2
115.40272	1.1
116.65387	1.2
117.07020	6.1
119.08588	43.9
121.10149	8.6
124.19418	1.5
129.07047	1.3
131.08588	12.8
133.03474	1.5
133.10132	31.5
135.11684	2.6
140.58862	1.2
143.08501	2.0
145.09123	1.7
145.10123	16.5
147.11700	25.0
149.13315	1.2
155.08594	1.5
157.10133	4.9
158.09633	2.7
159.11659	14.5
161.09708	1.8
161.13213	10.6
169.10132	2.2
171.11717	2.5
173.13246	10.4
175.14803	1.9
183.11737	1.6
197.13321	2.7
203.14978	1.1
211.14874	1.5
213.16354	1.8
215.17886	2.0
239.17914	7.3
257.18903	9.7
271.17725	2.3
289.18924	10.6
289.21683	100.0
289.29047	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	289.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38526	2.8
70.13187	2.9
70.76901	3.4
79.05470	4.7
81.07047	13.4
82.87667	3.4
91.05463	4.4
93.07073	8.5
95.08609	61.1
102.68436	3.1
105.07029	17.9
107.08602	18.6
109.06573	4.2
109.10139	4.3
119.08571	6.0
121.10153	100.0
133.10144	5.6
145.10248	3.8
147.11685	7.3
149.05948	6.0
153.85387	3.8
158.09657	8.3
173.13255	8.4
175.27097	3.9
181.95612	4.1
197.29773	3.2
201.14133	4.2
229.19507	53.1
239.00427	3.5
271.16919	6.3
289.18347	35.5
289.21713	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	289.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	100.0
67.67749	1.1
71.62500	1.3
72.04528	17.9
81.07050	1.3
85.24818	1.1
87.60171	1.0
87.62566	1.1
89.87933	1.3
100.07629	51.9
119.08586	1.4
156.13850	78.7
165.34064	1.2
166.70575	1.2
183.46516	1.2
186.79083	1.1
226.73590	1.5
254.73029	1.2
289.19119	5.8
289.22064	3.8
307.29144	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39415	0.5
63.47569	0.5
67.05483	0.9
69.07073	1.3
69.07773	0.5
69.94796	0.6
70.50862	0.5
71.06121	4.4
71.13795	0.6
72.04508	1.3
72.08163	5.5
81.07041	4.1
88.08716	0.6
91.05475	0.6
92.17896	0.8
93.07028	2.5
95.08580	3.0
100.08717	0.8
103.05469	2.5
105.07002	2.5
107.08577	3.3
109.10139	1.4
114.09666	0.6
114.10302	11.4
115.08680	5.6
119.08587	0.9
121.10064	3.2
122.09675	1.0
123.11700	1.1
128.23967	0.7
131.04932	64.0
131.08551	0.9
133.10120	1.5
135.11687	0.7
143.11760	1.3
144.08067	2.5
145.10059	1.3
147.11674	6.7
149.13232	1.0
157.10072	0.6
158.09631	2.4
159.08055	0.6
159.11697	1.2
160.07632	0.6
161.13216	1.1
170.09634	5.5
173.13258	1.0
201.13937	10.0
202.12267	55.9
219.14886	3.5
244.14404	8.8
253.19472	1.2
271.20599	4.2
272.17609	7.2
289.20187	100.0
294.16757	2.3
313.12881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88617	0.3
63.76585	0.3
84.35009	0.3
84.59947	0.3
105.03423	0.3
114.09153	0.7
119.35685	0.3
120.08037	0.5
130.06509	1.7
144.08092	37.2
145.08842	1.7
146.09645	0.4
158.09648	4.8
170.09645	38.1
171.10431	10.7
182.09648	0.6
185.10686	0.4
186.11494	0.7
187.12289	3.3
188.13091	35.4
212.10860	0.4
220.00604	1.3
236.14352	0.5
239.13106	0.4
241.17017	0.4
253.16962	0.4
254.15335	1.5
271.18085	3.4
279.99063	0.4
289.19107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23883	0.3
56.26762	0.3
58.06615	6.2
59.87946	0.3
70.06586	2.0
72.08164	0.9
77.29084	0.4
84.08145	2.9
87.34324	0.4
98.44464	0.4
100.28149	0.4
101.00896	0.5
107.44104	0.3
108.08125	4.3
111.44249	0.4
112.07613	6.8
114.09159	1.5
116.70336	0.4
118.06560	1.7
119.01909	1.9
119.68467	0.4
120.08144	0.7
124.07555	0.4
126.09149	0.5
130.06499	0.4
131.07285	0.9
132.08101	5.0
134.09663	6.8
134.81535	0.4
138.09143	0.8
144.08109	4.9
146.09648	4.0
147.10435	4.8
148.11247	0.5
150.09149	3.2
157.08894	2.4
158.09665	10.1
160.11238	2.6
162.09138	3.8
162.12802	0.5
170.09572	0.8
172.11192	6.3
173.08237	0.5
175.09946	12.7
182.09625	1.7
184.11176	0.5
188.10728	8.5
190.12282	86.1
196.11214	0.6
197.10596	0.5
198.12770	1.8
199.04605	0.8
199.12305	0.7
200.10756	2.2
201.13904	2.2
202.12239	0.7
203.15451	11.8
213.13867	16.3
214.12250	1.6
226.12326	1.9
227.03957	0.5
228.13858	3.7
231.14963	3.8
240.13858	3.7
245.05051	0.8
253.17014	0.7
271.18060	100.0
275.06473	0.4
289.04022	1.9
289.19119	50.9
289.85034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57516	0.7
57.03472	0.7
58.06327	1.0
58.06609	29.2
72.08137	0.9
79.05469	0.9
81.07052	1.4
86.09706	1.8
89.03964	0.8
93.07045	1.8
97.81063	0.7
98.09696	1.3
102.73602	0.8
107.08594	1.9
112.11234	1.3
121.06523	0.8
123.04424	1.6
136.11208	0.9
144.08104	1.3
146.06024	0.9
147.06793	25.4
153.01822	1.3
158.09698	3.1
159.06810	6.6
159.09126	1.5
160.07567	11.1
161.08344	9.4
164.10727	4.2
170.09676	1.4
172.07568	5.9
173.08395	12.6
174.09126	8.6
196.11258	1.0
197.08308	1.3
198.09227	1.4
200.10547	0.8
202.10960	1.0
203.11813	3.4
204.12592	40.2
210.12758	0.9
212.10718	34.8
212.14270	1.4
214.12256	4.0
215.11868	4.0
240.13824	20.9
246.73830	0.9
258.15027	7.3
271.18033	36.3
289.07153	1.2
289.10248	1.5
289.19110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19234	0.6
58.06610	32.2
66.63097	0.6
81.07049	0.8
84.04520	4.7
85.04806	1.2
86.09702	0.9
91.05482	1.1
93.07045	1.2
95.04936	0.8
95.08588	0.9
98.09683	1.5
98.80536	0.6
107.08561	1.5
112.11228	4.4
121.06540	0.7
124.64612	0.6
130.06519	0.9
132.08101	2.8
133.08421	3.3
141.28337	0.7
142.06493	0.7
143.06920	1.0
144.08118	1.1
146.05997	3.2
146.09624	0.9
147.04405	7.2
147.06799	34.1
149.05984	1.4
158.09627	1.4
159.06882	7.2
159.09154	10.5
160.07607	10.1
160.09532	12.6
161.08386	8.3
164.10689	5.0
169.08649	0.7
170.09616	0.9
172.07565	7.5
172.11121	0.8
173.08379	14.6
174.09146	8.1
178.74580	0.7
179.07048	0.7
184.11250	1.0
197.08325	1.1
198.09187	3.7
202.11050	1.7
203.11845	3.0
204.12596	50.2
207.46237	0.7
210.12784	1.2
212.10706	36.5
212.14116	1.7
214.12256	6.1
215.11848	5.2
223.04430	0.6
225.81482	0.7
226.10603	1.6
230.08322	0.8
240.13840	20.3
258.14880	9.3
271.04645	0.7
271.18048	36.1
272.08945	1.5
289.19116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1912
Annotation	Secopiriferine
Peak:m/z	Relative Intensity
53.33686	0.5
56.89444	0.5
60.51245	0.5
63.92466	0.6
106.08321	0.7
132.10434	0.7
141.39272	0.6
144.08084	34.4
145.08844	0.9
158.09625	5.0
170.09644	34.1
171.10411	9.8
185.60184	0.7
187.12300	3.4
188.13095	34.9
233.49783	0.7
254.15205	1.1
271.18008	4.2
289.19104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92147	0.5
58.06594	0.6
70.06577	0.8
70.67302	0.5
72.08128	1.0
74.84949	0.5
77.72243	0.5
81.07048	0.6
83.04964	2.9
99.04433	0.5
113.62337	0.6
130.06416	0.7
131.07317	1.0
132.08069	2.1
144.08083	25.6
145.08830	2.5
146.09660	1.2
154.06430	0.6
157.08868	1.0
158.08459	0.8
158.09653	15.2
159.10422	8.2
160.07535	0.8
160.11232	3.0
160.25880	0.7
165.25616	0.5
167.07283	1.1
168.08057	2.5
169.08740	1.0
170.09619	9.9
171.10400	3.8
172.11165	2.3
180.08017	1.0
181.08858	16.1
181.10362	1.2
182.09642	12.0
183.10468	5.7
184.11206	7.8
186.12843	0.8
194.09618	4.3
195.10446	4.7
195.11920	0.6
196.11217	81.2
197.08339	0.6
197.12039	1.3
198.09108	0.7
198.12820	1.2
201.13849	2.8
202.14645	1.2
207.10387	5.2
208.11264	0.9
209.11938	3.1
210.09013	0.7
210.12756	10.6
211.09918	9.4
212.10710	3.5
212.14365	7.3
214.12276	28.0
217.16963	4.4
222.12762	14.8
228.13846	4.0
232.13286	10.3
240.13841	17.4
246.14890	3.3
258.14880	100.0
271.17917	2.3
289.16113	13.5
289.19073	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1909
Annotation	Secopiriferine
Peak:m/z	Relative Intensity
65.36882	0.5
67.05513	3.6
69.03435	0.5
70.06602	0.7
70.75616	0.5
72.08144	0.9
79.05468	0.6
81.07063	0.8
81.86840	0.4
85.02913	3.5
85.06519	1.0
86.00646	0.4
86.09706	0.8
93.07055	0.6
95.08543	0.5
96.19004	0.4
98.07185	1.9
98.14069	0.4
108.08112	0.6
109.10162	5.4
112.11211	0.8
114.10316	0.5
129.10205	0.5
130.12265	3.4
143.06953	1.0
158.09723	0.8
160.07568	39.4
161.08308	2.5
174.09143	3.1
182.89023	0.6
186.09135	28.0
187.09918	6.5
189.10123	0.8
192.56029	0.5
203.11833	3.5
204.12581	48.5
219.09502	0.5
232.13330	0.6
254.15315	0.6
271.18124	1.2
272.16293	0.7
289.19089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22399	0.2
57.80807	0.3
61.45400	0.2
62.05880	0.2
63.53083	0.3
77.88976	0.3
83.62030	0.3
136.07442	0.3
148.07501	0.4
160.07576	46.5
161.08298	3.2
167.54379	0.3
170.09651	0.6
174.09097	2.1
186.09148	29.9
187.09935	8.5
188.09427	1.3
189.10199	1.5
203.11713	2.5
204.12590	52.1
205.91481	0.3
214.12288	0.4
242.15430	0.5
242.55315	0.3
254.15312	0.5
256.15671	0.6
271.18073	1.2
272.16489	1.7
274.16821	1.3
289.19107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34982	0.4
55.57621	0.5
56.98072	0.5
60.99703	0.5
65.76064	0.5
80.39308	0.5
84.63591	0.5
88.03284	0.6
96.82995	0.6
113.23214	0.5
131.56293	0.6
145.65652	0.5
154.90738	0.6
160.07578	45.1
161.08429	2.2
174.09132	2.2
181.00238	0.6
186.09151	23.9
187.09967	6.0
189.10252	1.2
203.11812	2.2
204.12587	51.0
266.54388	0.7
271.17868	0.5
272.16458	1.3
289.19107	100.0
307.50919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.3
67.05476	0.7
71.67616	0.5
72.08106	0.6
74.02443	4.7
77.10221	0.6
114.05492	0.6
118.06564	0.9
130.06528	7.4
132.08112	0.7
133.06441	0.7
144.08089	3.7
146.06030	9.4
155.07317	0.9
156.08064	3.7
158.09624	1.0
167.07281	1.0
167.46605	0.5
168.08073	10.9
169.08791	0.8
170.09644	99.3
180.08080	28.4
182.09656	11.3
184.07599	2.1
186.09134	3.4
188.07057	13.4
198.09171	9.4
208.07542	5.1
208.93198	0.6
210.09151	24.5
212.07088	6.8
214.08647	0.9
216.10199	100.0
225.10231	4.2
226.08601	15.1
227.05855	2.5
228.10162	2.6
236.07013	3.1
243.05531	0.6
243.11238	2.4
254.08148	4.2
271.10623	0.6
272.09167	43.2
289.11829	44.1
289.18860	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	288.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21945	0.6
57.07067	3.9
58.35376	0.5
68.66090	0.5
70.06605	5.2
71.08621	2.5
72.90315	0.5
75.95050	0.6
81.90430	0.6
88.07639	14.0
92.17915	0.7
102.09182	3.4
106.08683	10.7
126.20583	0.6
259.01727	0.6
270.27954	8.1
288.28970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10670	0.3
52.85109	0.3
57.07081	3.8
57.75136	0.2
70.06600	5.0
71.08635	2.1
85.10190	0.7
88.07639	13.7
92.63480	0.3
94.63423	0.3
102.05556	0.5
102.09203	3.6
106.08680	10.6
136.18259	0.3
164.18167	0.3
185.00874	0.4
187.98041	0.3
212.23761	0.6
233.06825	0.3
244.26346	0.4
270.27896	6.9
288.28983	100.0
298.82153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06878	0.3
57.07088	5.6
57.74369	0.4
58.06609	10.1
59.13376	0.3
61.04443	0.3
68.01485	0.3
70.06578	1.6
71.08646	2.9
72.08165	10.4
74.72475	0.3
81.07082	0.4
85.10185	1.8
86.90833	0.4
88.07633	6.0
96.90237	0.4
104.99259	0.5
106.08018	0.6
106.08678	10.7
145.08434	0.7
170.09653	0.8
171.10023	2.9
172.10774	0.6
181.62434	0.6
203.15070	1.6
204.12192	0.6
218.14142	0.8
219.14464	2.8
226.25293	49.1
270.27902	0.7
288.21780	6.6
288.28973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92231	0.5
57.07082	11.6
58.06595	1.1
62.57572	0.5
70.06287	0.5
70.06597	7.7
71.08636	7.3
73.55054	0.6
75.56799	0.6
77.03753	0.5
81.07066	0.6
85.10167	3.2
86.09696	1.3
88.07632	20.2
89.55025	0.5
102.09163	0.7
104.10748	0.7
106.08675	35.5
122.98118	0.6
124.99984	0.9
139.29483	0.5
147.11644	0.5
173.63968	0.6
184.07315	2.3
226.25325	7.4
240.09879	0.9
246.34828	0.5
270.27847	1.1
288.28967	100.0
292.72610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2535
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.64456	0.4
56.05042	6.0
57.07086	7.7
71.08636	4.3
74.05679	0.9
74.06083	22.7
85.10175	2.6
87.60085	0.5
88.07636	55.4
93.73244	0.6
102.05563	4.6
116.07067	2.2
120.06578	6.6
134.21796	0.5
150.99609	0.5
167.92601	0.5
171.10008	0.9
205.57080	0.4
242.24774	32.1
270.24222	2.7
288.25330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07089	5.0
58.57416	0.5
58.88281	0.5
61.67474	0.5
67.05529	0.8
67.35369	0.6
67.71626	0.5
70.06601	15.5
71.08640	3.4
81.07036	0.6
85.10180	0.8
88.07638	57.9
95.08598	3.2
106.08679	100.0
115.51826	0.5
149.50545	0.6
189.98351	3.2
194.93153	1.3
223.97099	11.2
227.20076	20.1
241.98106	9.6
246.98703	5.3
264.09839	0.7
264.99774	4.1
270.24371	3.6
270.78467	0.5
288.25354	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2032
Annotation	Arg Leu
Peak:m/z	Relative Intensity
51.04621	0.4
51.04854	0.4
51.95036	0.4
57.83818	0.5
58.11130	0.5
60.05356	0.9
60.05654	19.2
63.58201	0.4
70.06598	82.0
72.08157	2.1
84.08125	2.2
86.06065	0.9
86.09715	11.1
87.10023	0.7
88.07633	2.1
97.07603	0.7
98.06050	2.9
98.31580	0.5
110.60516	0.5
112.08736	14.7
113.96384	2.9
115.08663	3.0
116.07110	6.4
127.99748	0.5
128.10690	0.5
130.09781	1.2
132.10245	0.6
132.95818	0.8
140.08215	1.9
143.08145	0.7
156.11296	0.7
157.10838	2.7
158.09253	5.1
158.97411	0.6
163.03815	0.8
175.11897	35.3
182.16566	0.8
183.14967	0.6
208.10114	0.6
208.14517	2.3
210.83806	0.5
212.12807	3.5
214.44014	0.4
218.75070	0.5
225.17145	2.5
226.09344	0.9
228.17082	5.8
228.76160	0.6
229.10695	0.5
229.15479	6.0
238.10548	0.5
244.10269	0.7
254.14877	1.2
270.14395	0.5
271.17624	11.4
288.20306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1706
Annotation	(-)-N-(2-Oxopyrrolidinomethyl)cytisine
Peak:m/z	Relative Intensity
55.05515	1.8
58.23427	0.4
59.42762	0.4
60.05655	0.8
63.10013	0.3
70.02941	0.7
70.06596	7.0
72.08160	14.5
81.07076	0.9
84.08148	100.0
87.58955	0.5
88.04006	0.9
89.10801	0.8
97.07670	0.9
98.06036	0.6
98.41154	0.4
101.10783	4.2
105.03381	0.5
107.04960	0.8
109.06509	0.6
114.10286	2.4
124.07587	1.9
124.52307	0.5
131.12979	1.7
134.04492	0.8
137.05983	2.6
146.06004	14.4
149.00565	0.6
157.10883	0.8
160.07541	3.0
163.03897	12.0
164.10690	0.9
167.01526	0.6
177.15192	0.5
188.07048	11.2
192.09975	0.5
195.01134	1.7
199.39333	0.4
223.08279	0.6
242.13910	0.6
248.07295	0.5
252.14313	0.4
259.14401	9.9
274.04111	0.5
279.62238	4.9
288.13885	3.3
288.17035	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.5
56.15014	0.5
67.05505	5.9
67.05821	0.7
70.02972	6.1
70.06606	6.4
70.42727	0.5
72.08150	3.8
74.00404	0.6
74.02451	0.9
79.05493	4.1
81.07066	52.1
84.08154	2.5
85.02915	0.7
85.06558	9.1
86.09707	3.6
87.04457	0.5
88.04001	18.8
91.05492	6.7
93.07051	11.0
95.04971	1.0
95.08589	0.7
98.06052	0.6
100.24375	0.6
105.03371	0.8
107.04947	0.6
109.06528	48.6
109.10181	0.8
110.07187	0.6
111.04466	0.7
116.03424	2.4
119.04969	7.8
123.08086	1.0
124.07603	3.9
127.07558	13.7
129.10254	0.9
130.08598	0.7
134.04521	7.3
136.07620	0.9
136.11337	0.7
137.05991	100.0
154.08604	0.6
155.07042	4.7
159.09213	1.1
160.07715	0.6
163.03885	1.1
164.10739	8.0
170.09666	0.8
171.09970	0.8
173.08121	2.5
175.11948	0.6
178.08685	0.6
189.07841	1.4
192.06740	0.7
192.97806	0.6
196.00633	3.7
203.14961	0.8
206.08186	4.2
214.01733	0.9
224.09233	4.3
224.16486	0.8
242.01268	2.5
242.10185	2.7
242.13922	5.1
242.17390	0.7
252.08684	3.8
270.09787	6.1
270.12469	0.7
274.03790	3.5
279.62076	0.7
288.05423	2.0
288.10916	8.9
288.14404	2.2
288.17892	4.5
288.21515	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	287.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64938	1.4
53.03967	1.6
55.05288	2.3
55.05528	44.1
57.06837	2.5
57.07089	47.3
58.06603	1.5
65.78480	1.7
66.55919	1.7
67.05511	2.8
67.81413	1.5
69.06694	3.6
69.07078	100.0
71.08637	28.9
78.28154	1.6
81.07062	24.2
83.08633	78.8
85.10206	18.3
89.05753	1.7
93.07032	2.9
95.08613	14.3
97.06476	1.7
97.10178	89.8
97.34019	1.8
107.08600	4.0
109.10181	4.1
111.11738	38.5
119.08608	2.3
121.10136	2.4
123.11691	2.8
125.13238	8.5
133.10168	2.9
135.11670	3.6
137.13275	8.1
143.04341	1.9
144.08115	3.7
145.10150	1.9
147.11697	3.8
159.11678	2.1
161.13318	2.6
163.11223	3.7
170.09628	16.6
171.10460	6.9
173.13287	1.8
189.11452	1.8
202.14685	7.0
203.11952	2.1
218.14151	26.5
230.11949	2.0
230.24835	2.3
231.25191	9.7
241.23721	2.2
252.81653	1.9
269.22592	4.3
274.72314	1.7
287.17569	14.3
287.21136	38.4
287.23849	27.2
287.31396	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	Leubethanol
Peak:m/z	Relative Intensity
51.01585	1.1
53.87591	1.1
54.41159	1.0
55.65069	1.2
57.07074	1.9
61.83602	1.2
69.07057	2.1
81.07044	1.9
92.17841	1.2
93.07029	1.3
95.08574	1.5
95.47698	1.3
121.06528	3.3
135.08080	16.1
146.93004	1.5
147.62370	1.4
161.09610	27.5
161.10872	2.0
170.09607	1.8
175.01668	1.3
175.11174	100.0
189.12737	10.4
218.14151	1.8
222.86119	1.3
230.06039	1.4
287.17569	8.6
287.20908	5.2
287.23724	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2372
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
50.89096	0.5
51.67406	0.6
55.05511	2.9
56.41119	0.6
57.07065	0.7
65.69253	0.7
67.05510	6.6
69.07073	3.7
79.05503	3.9
81.06606	0.9
81.07070	17.7
83.08628	3.5
91.05486	6.0
92.18147	1.1
93.07051	13.5
95.08620	26.9
97.10165	1.6
99.08074	1.0
105.07046	21.6
107.08612	21.7
109.10168	20.6
117.07008	1.3
119.08601	14.0
120.08083	1.5
121.10157	14.0
123.11732	6.8
125.09590	0.9
131.08553	8.0
133.10141	35.7
135.11710	29.6
143.08681	0.8
144.08109	8.5
145.10138	13.4
147.11707	23.3
149.09702	0.8
149.13275	7.8
151.11191	3.1
153.12724	1.5
157.10172	1.6
158.09686	1.2
159.11713	13.2
161.13275	24.3
163.14818	3.5
170.06934	0.7
170.09666	27.1
171.10416	10.0
171.11749	3.7
173.13248	14.1
175.14839	13.1
177.12701	1.7
179.14363	3.0
185.13280	6.3
187.09918	3.0
187.14833	12.9
189.11504	3.1
189.16405	4.1
191.14304	3.6
199.14847	6.2
201.14050	0.9
201.16451	3.6
202.14709	11.7
203.11821	3.6
203.17902	1.1
205.15959	1.5
213.16385	9.2
218.14163	22.6
227.18015	4.7
229.19518	3.0
240.18735	3.1
241.19601	1.3
243.21190	0.9
259.24136	1.2
269.22656	49.1
287.17383	4.2
287.21100	40.0
287.23770	100.0
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	Neocrotocembranal
Peak:m/z	Relative Intensity
50.86386	5.4
53.60719	4.3
67.05505	11.3
73.38563	4.9
79.05479	5.8
81.07066	11.9
92.17811	10.9
93.07056	12.1
93.86058	5.6
95.08604	26.6
95.14531	5.4
105.07047	21.6
107.08582	9.8
109.10168	47.3
112.68899	5.2
119.08575	25.7
121.10123	12.3
123.11716	7.4
131.08578	8.2
133.10135	28.3
135.11674	10.1
147.11684	11.2
149.13292	8.6
153.54950	6.4
157.10132	6.0
159.11687	8.7
161.13277	33.7
170.09676	22.0
175.14798	25.2
191.38611	5.5
199.14827	5.6
218.14200	7.6
269.22623	27.8
285.68500	5.9
287.17474	24.3
287.20856	12.7
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	287.2369
Annotation	Helicallenal
Peak:m/z	Relative Intensity
52.41691	0.5
54.59027	0.6
55.05509	1.2
57.07083	0.9
57.62252	0.5
60.44144	0.6
60.65962	0.5
67.05516	5.4
69.07059	4.1
79.05477	4.6
81.07061	22.1
83.04978	0.7
83.08605	4.0
85.06507	0.8
91.05468	3.1
92.65448	0.6
93.07059	9.6
93.79542	0.7
95.08608	28.6
97.06520	1.4
97.10157	2.8
99.08092	0.9
105.07034	12.7
107.08599	14.4
109.10159	27.0
117.07001	2.6
117.76767	0.6
119.08572	13.2
121.10136	13.8
123.08038	0.7
123.11726	8.3
125.09628	0.8
131.07629	0.7
131.08571	7.1
133.10133	10.4
135.11697	8.7
143.08543	4.0
144.08051	1.4
145.10112	9.2
147.11691	15.2
149.13275	7.0
149.60439	0.6
151.11160	0.7
157.10103	4.2
159.11679	10.7
160.74727	0.6
161.13245	19.8
163.14798	3.8
165.12747	7.0
170.09636	5.5
171.10359	1.1
171.11674	3.6
172.59222	0.7
173.13260	11.4
175.14828	13.6
177.12637	0.9
177.16412	1.4
179.14374	4.5
185.13264	6.6
187.14807	11.4
189.16379	4.7
191.14326	1.2
199.14854	8.2
201.16344	5.0
202.14677	0.8
203.17955	3.2
205.15839	1.2
213.16383	9.7
215.17850	1.1
218.14149	8.2
227.17955	4.7
229.19479	9.2
230.11772	0.9
231.17419	1.0
241.19505	3.8
243.21104	0.9
257.22565	4.4
259.24246	2.8
269.19568	0.9
269.22610	33.9
287.20898	9.5
287.23703	100.0
308.73773	0.8
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	Dehydroabietinol
Peak:m/z	Relative Intensity
55.05500	2.4
59.71241	1.0
67.05516	15.0
69.07059	6.1
71.04972	1.5
72.99186	0.9
73.63595	1.1
79.05495	4.8
81.06604	1.8
81.07060	42.9
83.08627	2.0
84.73415	1.3
86.05635	1.1
88.54543	1.0
89.53590	1.1
90.16006	1.1
91.05476	6.6
92.17936	1.6
93.07038	19.9
95.08607	32.6
97.10149	1.3
105.07022	18.1
107.08595	21.1
109.10165	25.7
119.08572	19.6
121.10149	19.5
123.11711	17.9
125.09602	1.2
129.07033	1.5
131.08583	9.4
133.10133	14.1
135.11679	14.5
137.13274	2.1
143.08577	5.7
145.10115	14.1
147.11685	29.8
149.13280	9.9
151.11090	1.5
157.10135	5.1
159.11697	16.1
161.13280	18.8
163.14825	2.8
165.12813	2.0
170.09631	5.5
171.11659	8.8
173.13266	22.1
175.14796	11.1
177.12723	1.2
179.14220	1.6
185.13251	7.3
187.14825	12.0
189.11519	1.2
189.16423	1.7
190.13063	1.3
191.14371	1.7
199.14777	10.9
201.16391	6.5
202.14626	1.7
203.18027	2.4
213.16405	16.5
215.17993	4.2
218.14174	9.4
227.17949	8.3
229.19464	1.5
230.11737	1.5
241.19543	2.7
256.13113	1.2
257.22656	5.4
269.22632	59.1
287.17313	2.7
287.20883	11.2
287.23727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2218
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.17535	1.8
55.05506	12.4
57.00586	1.9
57.07082	3.5
65.34085	2.1
67.05513	31.4
69.07064	34.1
71.04997	5.2
71.08640	12.3
79.05499	10.8
81.07069	50.5
83.04992	4.3
83.08617	13.0
83.09103	1.8
85.06570	4.2
91.05445	2.7
93.07048	24.0
95.08617	60.7
97.06540	19.7
97.10169	11.6
99.08111	8.4
100.62495	2.1
105.07063	3.8
107.08589	16.2
109.10174	28.6
111.08088	4.2
119.08562	5.0
121.10146	26.4
123.11705	10.3
131.08600	2.8
133.10135	12.0
135.11722	19.1
137.09634	4.2
139.11186	13.8
141.09189	2.2
149.13254	5.3
151.11220	3.1
153.12747	2.5
155.10670	2.9
161.13280	8.4
170.09685	4.4
187.13255	2.4
199.13324	3.3
203.12755	7.4
215.18054	3.8
217.14326	2.6
233.19000	10.2
251.20061	100.0
269.21075	30.5
287.21338	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	287.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29944	0.8
83.24933	0.9
105.76939	0.8
144.08102	1.5
160.07574	32.1
170.09630	7.7
171.10330	1.2
186.09154	93.5
187.09932	38.9
202.14615	1.9
217.13385	5.9
218.14157	40.7
220.37029	0.9
230.11874	1.1
287.21188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.7
62.93913	0.5
66.96265	0.5
110.84199	0.7
125.37465	0.7
144.08083	24.7
145.08844	1.1
158.09631	1.1
158.80612	0.8
170.09636	100.0
171.10414	39.9
171.11876	1.3
177.01187	0.6
201.13867	4.6
202.14645	51.0
287.21158	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2121
Annotation	Des-N-methyl-fastigiatine
Peak:m/z	Relative Intensity
50.90975	0.4
58.06610	0.6
66.24708	0.5
70.06602	5.0
72.08163	6.6
84.08121	1.1
86.09675	0.5
88.13265	0.4
95.23620	0.4
112.07611	5.2
116.07117	0.7
123.04436	3.6
124.04771	3.7
140.07071	1.1
140.79074	0.5
144.08096	26.7
145.08878	1.1
149.28969	0.5
154.06212	0.6
158.09581	2.1
165.05457	0.7
166.05821	2.6
170.09644	100.0
171.10426	37.1
201.13898	4.1
202.14658	47.1
209.99782	0.5
218.14182	0.7
224.16515	0.7
269.05569	3.7
287.21185	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	287.2121
Annotation	Des-N-methyl-fastigiatine
Peak:m/z	Relative Intensity
53.78698	0.5
56.92043	0.6
57.49286	0.5
69.07062	4.8
69.76239	0.6
74.90283	0.6
80.22321	0.5
92.17807	1.1
101.03574	0.6
104.82277	0.6
132.08080	3.2
142.56418	0.6
144.08105	23.3
157.08867	5.1
158.09659	12.6
160.11172	1.5
170.09691	6.4
171.07878	0.6
171.10477	4.6
185.10724	6.1
187.09834	5.1
188.13084	4.3
199.12308	4.4
200.13080	89.3
201.13928	7.3
202.14546	1.3
212.14290	5.0
218.14149	4.3
226.15903	17.6
257.20111	1.3
269.20224	0.9
287.21188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23070	0.4
55.44889	0.4
58.06605	0.6
63.96172	0.4
103.55161	0.5
104.78054	0.6
122.36847	0.5
129.78658	0.5
131.07315	0.6
137.39148	0.5
144.08055	1.7
160.07573	30.1
161.08304	0.7
170.09630	6.7
171.10367	2.2
174.09117	0.9
186.09143	87.7
187.09920	39.1
188.13100	1.0
202.11049	0.6
202.14658	1.0
217.13312	3.4
218.14136	48.6
235.28177	0.5
245.65324	0.5
287.21167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2118
Annotation	Des-N-methyl-fastigiatine
Peak:m/z	Relative Intensity
51.65747	0.4
58.06601	0.7
58.65960	0.5
76.49410	0.4
79.59983	0.4
87.80272	0.5
123.02979	0.5
126.35264	0.5
144.08078	25.8
145.08875	0.8
145.92715	0.5
158.09593	0.9
170.09637	100.0
171.10425	33.4
201.13918	4.9
202.14656	44.7
287.21161	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1982
Annotation	O-1918
Peak:m/z	Relative Intensity
51.37667	1.2
53.73510	1.4
58.06596	1.9
64.33102	1.5
69.30308	1.6
70.00822	1.3
115.79797	1.4
123.65038	1.7
142.54649	1.4
144.08046	7.0
147.46513	1.5
158.09602	1.8
158.71812	1.8
170.09616	6.4
218.14081	6.8
265.38293	1.7
269.22586	2.8
287.19809	100.0
287.23639	4.1
287.31271	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	287.1754
Annotation	Huperzine D
Peak:m/z	Relative Intensity
53.58043	0.3
55.05500	0.5
60.45130	0.3
63.10371	0.3
69.03429	0.6
70.06585	2.2
72.08166	3.6
81.07063	1.4
84.08126	0.5
86.09692	1.7
88.98579	0.4
98.06070	0.3
98.09748	0.3
107.04955	0.4
108.08127	0.7
110.09658	0.8
114.10338	0.3
115.08674	0.6
116.07093	0.6
120.08107	1.3
121.10090	0.3
123.04418	0.4
128.10770	0.6
131.07295	0.6
131.08556	0.4
132.08069	1.9
135.08049	0.4
141.64003	0.4
144.08099	16.9
144.09206	0.8
146.09666	0.7
158.09654	17.4
159.09242	0.5
159.38539	0.3
160.07579	11.1
163.03923	0.5
165.09200	0.4
170.09674	5.4
170.68469	0.4
171.10443	1.6
172.07576	1.9
173.10794	2.3
174.09100	1.6
177.09186	0.5
177.11134	0.4
181.08618	0.6
184.07651	0.5
186.09106	1.4
187.08633	0.4
188.09468	3.0
189.10492	0.5
198.09157	0.5
198.12819	1.9
201.10229	10.9
202.11038	6.9
202.14668	2.6
203.11798	17.4
210.12692	0.6
212.10719	0.4
216.13925	0.6
226.12321	0.5
228.13826	0.6
229.13348	5.8
240.13849	1.7
252.13914	0.4
269.13913	0.5
269.16483	2.4
287.17569	100.0
287.21039	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	287.1754
Annotation	N-Methyl-4-dimethylallyltryptophan
Peak:m/z	Relative Intensity
58.06590	0.4
62.49225	0.4
65.23319	0.4
67.71851	0.4
73.74387	0.4
80.80012	0.5
85.37621	0.5
86.03567	0.4
99.04448	3.0
112.53562	0.5
122.14283	0.4
131.07315	27.2
132.08075	5.2
144.08087	6.5
145.07841	0.8
145.08891	14.6
145.09995	0.8
146.09654	0.9
157.08870	26.1
158.09659	2.3
164.44743	0.5
168.08234	0.4
170.09674	4.6
171.10461	0.8
176.21667	0.6
181.08859	0.9
182.09647	3.2
183.10422	6.9
184.11209	15.3
186.09160	0.5
188.50464	0.6
194.09674	0.8
195.10423	9.8
196.11237	0.9
197.08368	16.5
197.10072	1.0
197.11929	0.7
202.14612	0.6
210.12787	24.4
211.13503	3.4
212.10709	55.5
212.14285	3.5
226.12239	5.0
228.14037	0.4
230.11765	100.0
238.12180	3.6
244.13306	9.1
256.13318	74.0
287.17557	18.1
287.21017	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1754
Annotation	N-Methyl-4-dimethylallyltryptophan
Peak:m/z	Relative Intensity
58.06590	0.4
62.49225	0.4
65.23319	0.4
67.71851	0.4
73.74387	0.4
80.80012	0.5
85.37621	0.5
86.03567	0.4
99.04448	3.0
112.53562	0.5
122.14283	0.4
131.07315	27.2
132.08075	5.2
144.08087	6.5
145.07841	0.8
145.08891	14.6
145.09995	0.8
146.09654	0.9
157.08870	26.1
158.09659	2.3
164.44743	0.5
168.08234	0.4
170.09674	4.6
171.10461	0.8
176.21667	0.6
181.08859	0.9
182.09647	3.2
183.10422	6.9
184.11209	15.3
186.09160	0.5
188.50464	0.6
194.09674	0.8
195.10423	9.8
196.11237	0.9
197.08368	16.5
197.10072	1.0
197.11929	0.7
202.14612	0.6
210.12787	24.4
211.13503	3.4
212.10709	55.5
212.14285	3.5
226.12239	5.0
228.14037	0.4
230.11765	100.0
238.12180	3.6
244.13306	9.1
256.13318	74.0
287.17557	18.1
287.21017	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12039	0.7
55.26965	0.6
58.06598	1.1
65.35136	0.7
66.56556	0.8
73.46981	0.8
81.07085	0.9
83.86375	0.8
93.07023	0.9
112.00327	0.7
124.64249	0.8
131.07303	23.8
132.08073	4.0
136.23814	0.8
144.08081	9.6
145.08881	12.8
157.08855	20.8
158.09677	1.6
170.09636	11.2
170.78015	0.7
171.10405	3.4
182.09607	1.8
183.10399	5.6
184.11200	13.4
194.09691	1.0
195.10420	9.7
197.08385	13.6
198.12761	1.5
202.14604	5.5
210.12767	23.1
211.13560	1.4
212.10715	50.5
212.14267	4.0
220.44438	0.9
226.12276	3.0
230.11757	100.0
238.12274	4.2
244.13336	8.7
256.13312	69.9
287.17587	21.3
287.21115	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1757
Annotation	Huperzine D
Peak:m/z	Relative Intensity
65.96381	0.4
72.32050	0.4
75.86919	0.4
79.50517	0.4
84.23457	0.4
89.84330	0.4
107.94146	0.4
134.64505	0.4
160.07581	59.8
161.08353	3.9
162.09160	0.7
174.09094	1.6
186.09149	31.8
187.09946	8.4
189.10229	2.3
203.11800	3.0
204.12590	48.1
254.14145	0.9
269.16479	1.5
270.14798	0.6
272.14932	0.6
287.17548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.2
58.06367	0.2
58.06611	2.5
59.76942	0.2
60.05643	0.2
69.93839	0.2
70.06601	1.0
71.04987	0.4
72.08167	4.2
73.06540	0.3
84.05646	0.5
84.08176	0.3
86.09721	0.5
95.04971	0.4
97.07659	1.3
99.73143	0.2
99.91465	0.2
107.32475	0.2
111.04417	0.4
112.07613	0.5
113.06020	4.2
114.10296	4.4
115.08701	0.5
116.07085	0.5
120.08081	0.4
124.07513	0.2
131.12918	0.3
132.08086	1.4
133.46309	0.2
139.07539	3.4
144.08096	36.5
153.10251	0.3
154.08659	0.4
155.07068	0.3
158.09660	1.8
160.07593	1.2
164.20636	0.3
166.12265	1.4
170.09647	5.7
171.10416	1.9
172.11201	1.2
174.09157	2.0
183.14941	1.8
184.11421	0.3
184.13313	1.8
186.09148	12.1
196.11105	0.5
198.09196	2.2
202.12280	59.6
204.37936	0.3
207.82570	0.3
208.14417	1.9
210.12775	0.3
214.12437	0.8
217.13348	2.2
225.17154	1.1
226.12267	0.4
226.15463	0.9
229.13393	3.0
230.11832	0.5
243.18138	4.6
244.13345	21.6
252.17030	0.3
253.67274	0.2
256.13126	0.3
272.15140	0.3
287.17557	100.0
287.20883	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	287.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87760	0.1
66.56499	0.1
72.08156	0.1
75.64200	0.1
80.25538	0.1
87.67777	0.1
102.81254	0.1
111.98340	0.2
120.08094	0.3
121.71724	0.1
131.07301	0.3
132.08093	0.2
143.07205	0.2
144.08093	50.1
145.08881	3.8
146.09613	0.2
148.07571	1.0
158.09647	2.6
160.11156	0.2
170.09653	51.0
171.10425	11.5
172.11273	0.2
173.10741	2.0
184.11200	0.3
187.12306	1.7
188.13092	35.6
191.40137	0.2
196.11186	0.4
198.09189	0.2
216.10239	0.3
224.10719	1.8
226.12309	0.2
230.11630	0.2
242.11711	0.2
243.18565	0.9
244.13310	0.6
252.13789	0.2
257.64142	0.2
258.14755	0.2
269.16479	2.4
270.14893	1.6
287.17551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69956	0.5
58.06610	0.8
76.06995	0.8
77.28946	0.6
79.38296	0.6
81.07049	1.2
81.72177	0.6
93.07036	0.9
95.08619	3.6
95.90616	0.6
96.66165	0.7
99.04469	1.4
109.10186	1.0
121.10092	0.7
131.07312	24.5
132.08104	4.1
132.76646	0.6
135.90431	0.6
144.08072	9.9
145.08878	10.1
157.08871	23.2
158.09636	3.5
159.11644	0.7
170.09647	14.9
171.10422	5.3
182.09674	3.3
183.10477	7.0
184.11218	14.8
194.09653	1.6
195.10449	5.1
196.11237	0.8
197.08372	15.2
197.12013	0.9
201.13828	0.7
202.14670	7.7
203.08229	0.9
210.12790	23.1
211.13609	3.4
212.10724	52.5
212.14317	4.2
213.10155	1.4
226.12326	3.8
227.60210	0.7
230.11768	100.0
231.11263	1.4
238.12219	2.9
241.09348	0.8
244.13336	7.5
245.09280	1.2
256.13324	71.7
259.10767	2.6
269.09018	0.8
287.10376	14.4
287.17590	21.6
287.21170	14.5
287.23642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62080	0.4
55.98298	0.4
61.63596	0.4
63.56272	0.4
79.31602	0.5
109.89764	0.4
117.65899	0.4
120.08067	0.6
126.81069	0.5
144.08087	48.6
145.08908	3.5
148.07591	0.7
158.09627	3.1
170.09645	48.4
171.10417	9.9
173.10713	0.7
187.12334	2.9
188.13098	34.1
195.08095	0.8
224.10692	2.2
227.09863	0.8
230.11710	0.5
243.18593	0.5
256.13260	0.6
269.16495	2.7
270.14871	2.1
287.17532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1756
Annotation	Huperzine D
Peak:m/z	Relative Intensity
50.01598	0.0
58.06605	0.7
69.76922	0.1
72.08150	0.3
81.07050	0.1
89.01235	0.1
91.05482	0.1
95.08583	0.1
107.04959	0.7
115.05457	0.0
117.05749	0.6
118.06528	0.1
119.04965	0.1
120.08098	0.5
121.08797	0.1
123.06723	0.1
130.06517	0.5
131.04909	0.1
131.07277	0.4
132.08078	0.3
134.09647	0.2
137.06000	0.1
138.09174	0.1
143.07288	0.4
144.08084	53.1
145.08871	3.9
146.09671	0.2
148.07564	1.1
156.08096	0.1
157.08893	0.3
158.09647	3.0
159.09183	0.1
159.10452	0.2
167.08611	0.1
168.08011	0.1
170.09642	52.1
171.10414	12.8
172.09909	0.3
172.11203	0.2
173.10742	2.0
181.08881	0.1
182.09634	0.2
183.10443	0.1
184.11153	0.3
185.10667	0.1
186.12862	0.1
187.12308	2.3
188.13080	36.6
189.62645	0.1
195.08124	0.1
196.07579	0.1
196.11182	0.7
197.11948	0.1
198.09140	1.1
198.12720	0.1
199.12306	0.2
203.50688	0.1
204.10185	0.1
212.10744	0.1
212.14386	0.1
214.15869	0.1
216.10201	1.9
224.10706	2.2
224.14317	0.2
226.15875	0.5
228.16168	0.1
230.11864	0.4
237.11115	0.1
239.07027	0.1
239.11798	0.1
242.11775	0.4
243.18542	1.0
244.13261	0.5
251.06978	0.1
251.15399	0.1
252.13821	0.4
254.14043	0.1
255.12514	0.1
256.13321	0.2
257.08234	0.1
258.14844	0.3
269.16461	2.5
270.14908	1.3
287.17529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08527	0.6
55.29544	0.5
61.71985	0.5
75.06842	0.6
99.04443	1.1
105.34302	0.6
124.37822	0.7
131.07320	28.7
132.08090	3.5
144.08130	6.5
145.08882	16.6
157.08868	27.1
158.09592	2.0
170.09662	7.4
171.10443	1.1
181.08885	0.8
182.09680	3.7
183.10402	7.5
183.19093	0.7
184.11217	12.6
194.09622	1.1
195.10439	9.4
196.11246	1.5
197.08350	13.9
202.14667	2.7
210.12785	23.2
211.13586	3.0
212.10718	54.2
212.14308	5.1
220.41772	0.6
226.12292	5.1
230.11771	100.0
238.12253	4.0
244.13336	7.5
256.13327	72.3
287.17560	20.0
287.21149	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	287.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64926	0.7
62.07541	0.7
62.17154	0.7
99.04440	1.1
131.07321	25.4
132.08051	3.6
144.08073	6.0
145.08896	13.2
157.08881	26.7
160.07509	1.2
168.08144	1.2
170.09651	8.1
171.10394	1.4
182.09720	3.9
183.10402	6.8
184.11249	12.3
186.09166	1.6
189.07956	1.1
194.09682	1.1
195.10506	6.3
196.11203	1.6
197.08377	14.0
210.12778	21.9
211.13506	2.8
212.10715	53.1
212.14322	3.8
226.12276	4.0
230.11769	100.0
238.12335	1.7
244.13347	9.9
256.13327	64.5
287.17563	15.6
287.20984	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96666	0.4
52.81424	0.4
55.05511	0.8
57.40282	0.4
57.76537	0.4
58.06613	0.5
70.06589	2.8
72.08171	3.9
81.44862	0.5
84.08154	0.8
86.09714	2.9
98.06081	0.5
98.09678	0.7
103.00678	0.5
110.09675	0.9
115.08678	0.6
116.07101	0.7
120.08117	1.8
128.10730	0.7
129.10262	0.8
131.07310	1.2
132.08107	2.4
132.10234	0.6
144.08087	18.0
144.09200	0.9
146.09659	0.9
149.69331	0.6
156.08109	0.5
157.08977	0.5
158.06099	0.6
158.09656	16.2
160.07587	9.1
170.09644	7.2
171.10416	3.0
172.07610	2.5
173.10800	1.8
174.09140	0.8
184.07556	0.6
188.09486	2.2
189.10420	0.6
195.10371	0.6
198.09128	0.8
198.12810	1.2
201.10242	9.2
202.10966	5.4
202.14691	4.3
203.11797	18.4
210.12822	0.8
212.10667	1.1
216.13863	0.5
218.14198	1.2
229.13297	4.4
240.13840	1.2
258.15100	0.7
269.16489	2.2
287.17584	100.0
287.21097	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	287.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04544	0.5
63.53726	0.5
70.06600	10.8
72.04504	2.7
72.08154	9.3
84.05631	5.3
84.08160	1.9
85.05946	1.1
85.21770	0.6
87.00145	0.5
87.07920	0.5
96.04491	0.8
97.02908	0.6
98.06036	3.2
108.04497	1.0
111.49752	0.6
112.07590	4.5
114.05540	0.7
114.08373	1.2
114.09167	31.7
115.03947	0.6
122.02705	1.1
122.09628	0.9
123.04443	2.4
124.04767	1.1
149.10721	1.4
150.09152	8.8
166.05797	1.2
166.96350	0.6
167.11775	8.4
168.10187	12.2
174.08720	2.1
181.13390	2.1
185.12865	3.1
186.11214	1.4
197.13968	1.0
211.10783	5.0
227.13927	6.3
228.13393	0.6
245.14958	19.2
253.93126	0.7
254.48003	0.7
269.13181	3.1
270.14514	7.3
287.14471	4.0
287.17148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97325	0.4
55.05508	0.4
60.24812	0.4
61.99630	0.4
69.03431	0.4
70.06602	5.1
72.04505	1.8
72.08166	6.5
77.02396	0.4
81.02037	0.4
84.05633	3.4
84.08150	0.7
85.02906	0.7
97.02892	0.7
98.06047	0.5
98.97608	0.4
101.00817	0.4
109.81808	0.4
112.08745	0.5
113.10756	0.5
114.09179	15.4
115.08694	0.5
119.01773	0.7
127.03840	0.4
138.10292	1.0
149.10793	0.8
150.09126	2.5
152.34875	0.4
154.09744	0.6
155.09299	0.8
156.07687	0.8
163.03896	0.6
167.11812	3.1
167.41188	0.4
168.10211	0.6
174.08740	5.3
174.90884	0.4
182.12970	0.4
197.12236	0.9
197.13982	14.0
206.02667	0.5
210.12448	1.8
213.13579	1.4
223.15564	0.5
225.17101	0.5
227.13799	3.1
228.13480	2.8
230.11824	0.7
241.16528	6.2
245.16122	0.7
246.04289	0.5
252.13489	0.5
256.13223	0.6
257.16132	2.2
269.16055	8.4
287.17163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67763	0.4
60.04564	0.5
70.06593	3.2
72.04491	1.8
72.08160	6.3
76.14497	0.4
82.38428	0.5
83.53256	0.5
84.05631	7.1
84.08164	3.5
85.05949	1.9
86.09734	0.6
104.95442	0.5
114.09177	16.6
117.84296	0.5
127.25723	0.4
128.08200	0.9
131.07362	0.6
138.10330	0.7
143.11812	7.9
144.08038	0.8
159.07552	0.6
167.11919	0.5
168.10188	2.7
170.09659	2.6
171.10391	0.7
174.08672	4.6
183.11197	0.6
185.12808	0.7
197.13985	8.7
201.85422	0.5
202.14740	1.0
213.13205	0.5
217.94705	0.5
223.15477	4.3
228.13454	2.3
241.16577	15.3
242.14915	5.2
245.16202	0.8
248.35786	0.6
259.17633	6.6
269.13297	1.8
269.16043	0.8
287.14316	5.4
287.17151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22726	0.8
55.11217	0.7
63.02258	0.7
69.07069	0.8
69.97168	1.0
71.60014	0.8
74.35057	0.7
75.27237	0.8
79.05492	1.9
81.07068	3.3
91.05457	1.2
93.00112	0.9
95.08588	1.7
100.37547	0.8
105.07093	1.1
107.08606	100.0
109.10160	1.5
117.07023	10.5
118.84180	0.9
121.10174	1.0
123.63421	1.0
135.08066	73.2
139.11185	3.5
144.08092	9.2
145.06508	3.9
151.26508	1.1
159.11627	1.4
163.07536	60.7
167.10675	53.5
170.09668	10.8
171.10425	1.8
177.09108	9.4
195.10193	21.0
202.14622	7.8
213.11215	1.7
227.12773	34.8
230.11726	1.8
251.20084	1.0
255.12238	13.7
269.19098	1.1
269.22641	1.7
272.69174	0.9
287.17334	3.8
287.21027	12.2
287.23917	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	287.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47229	0.5
55.05524	4.5
55.79797	0.5
55.80068	0.5
57.47810	0.5
57.50425	0.5
60.05657	0.6
65.21276	0.5
70.06296	0.6
70.06600	9.9
72.08159	66.8
84.04492	0.7
84.08150	11.7
87.07936	0.6
89.10777	3.0
89.43613	0.5
91.05466	0.6
98.06055	11.7
98.36259	0.6
101.10751	1.0
107.04942	2.1
112.94360	0.5
114.10272	2.1
115.08676	3.4
120.05696	0.6
123.04423	15.8
131.04926	0.9
131.07317	1.0
131.12914	2.1
133.06468	0.6
135.04436	9.0
137.05974	5.4
137.06839	0.5
144.08115	0.9
144.13831	0.5
146.05937	0.5
148.05243	4.6
149.05978	5.4
152.07085	2.5
157.10876	1.0
162.23572	0.5
163.03899	26.5
164.07054	3.4
170.09631	1.0
171.02058	15.8
188.09447	0.9
192.06587	3.1
199.01570	24.5
199.07602	0.6
206.11772	46.7
216.04187	0.8
218.14195	0.6
222.11285	2.1
223.14415	20.3
228.04233	5.0
228.08362	1.0
230.11681	1.0
234.11186	7.7
251.13864	10.7
256.13358	0.8
270.08899	38.3
287.11551	100.0
287.20993	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	287.0916
Annotation	1,2,8-Trimethoxyxanthone
Peak:m/z	Relative Intensity
58.06607	1.0
58.99261	1.0
63.29816	0.8
63.74074	1.1
72.28898	0.8
72.88375	0.8
83.17368	0.9
89.85593	1.1
91.05487	16.5
103.05470	1.1
107.04958	100.0
118.45965	1.1
119.04938	28.0
131.04927	34.3
131.07285	2.0
132.05782	1.4
144.08072	35.8
147.04480	1.6
151.03920	11.5
158.09613	1.2
163.03838	7.1
165.06999	1.6
167.08537	3.6
170.09641	75.5
171.10411	28.5
175.03876	8.8
177.07050	3.9
179.08569	2.0
188.13112	8.2
195.08066	4.4
197.09621	4.0
198.12936	1.3
201.13974	1.4
202.14651	34.6
207.08025	1.3
210.06743	1.9
211.07608	2.0
218.14101	1.6
223.07568	5.3
224.08344	1.3
225.09056	1.7
230.11749	4.4
239.06996	31.1
251.07024	23.5
256.13339	2.2
257.08121	20.1
269.08109	20.7
287.09085	14.7
287.17581	26.5
287.21185	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0916
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
50.33222	0.4
51.10671	0.4
61.88744	0.4
82.12610	0.4
91.04917	0.9
91.05478	16.0
95.04967	1.1
103.05477	1.0
107.04962	100.0
119.04945	29.4
119.83674	0.5
121.02858	0.7
123.04430	0.8
124.34024	0.5
131.04933	34.6
132.05695	2.1
133.02878	0.6
145.02806	0.8
147.04457	1.1
149.06058	0.9
151.03902	13.7
151.98703	0.5
152.06198	0.6
157.06441	0.5
163.03886	8.1
165.07002	2.2
167.08539	4.1
169.10219	0.6
172.11113	1.0
175.03906	10.0
177.07021	2.6
178.07822	0.7
179.08528	4.0
182.07274	1.1
183.08058	1.0
195.08069	6.4
197.09685	4.4
205.06377	1.5
207.08026	0.8
210.06807	2.7
211.07593	1.1
213.09132	2.7
221.05873	1.0
223.07556	6.3
224.08421	2.3
225.09285	1.9
233.06024	1.2
239.07016	34.1
251.07013	26.4
252.04356	0.5
257.08066	21.9
269.08075	18.0
287.09119	15.0
287.17563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
55.19097	0.4
57.03439	1.1
57.07093	1.1
69.03439	3.1
69.07063	0.9
70.06584	2.2
71.04987	2.5
72.08163	1.1
72.81241	0.5
79.05489	5.4
81.03406	0.8
81.07063	14.8
83.80460	0.4
85.02906	0.5
85.06548	0.6
86.06062	0.5
96.99946	1.0
97.00549	24.2
97.01176	0.9
99.08101	15.3
105.07043	0.6
107.44910	0.5
109.02883	0.6
111.02091	7.9
114.09155	0.6
123.04487	0.7
127.03953	0.6
135.02083	9.2
144.08105	3.3
153.13858	0.5
163.03935	2.0
170.09648	2.8
171.10423	1.0
171.55661	0.6
174.08763	3.4
177.06761	100.0
181.13324	1.8
188.13084	1.1
218.14180	2.2
225.11235	0.5
227.13936	0.6
230.11882	0.6
256.13501	0.6
257.62350	0.5
269.16061	0.6
286.65802	0.6
287.08066	47.0
287.17316	11.9
287.21014	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	287.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	4.9
57.03434	13.3
61.02925	15.3
69.03439	45.8
70.06595	13.4
73.02926	29.4
81.03440	10.6
84.05629	3.4
84.96024	5.1
85.02917	100.0
87.04487	11.0
89.00797	2.7
91.03980	4.1
97.02899	31.6
98.01259	3.6
98.97594	60.0
99.04456	6.2
109.02884	12.8
110.01270	13.0
110.97542	5.8
112.96673	3.1
116.07082	4.6
116.98620	14.6
117.35381	2.8
119.01799	38.8
122.01234	2.6
123.00264	2.9
124.03970	5.2
124.04849	3.4
124.99117	24.5
125.01769	3.4
125.04270	3.8
127.03936	35.5
128.02325	42.7
128.98615	4.3
129.98219	3.1
130.97762	2.9
131.01840	12.6
131.96126	3.5
137.02858	16.1
138.00734	15.7
140.02307	10.5
143.00195	26.1
144.00766	6.3
144.98112	4.9
145.04988	18.0
146.02336	6.4
149.02771	4.5
152.02341	6.4
153.01311	14.7
155.02853	3.0
157.01794	4.4
157.97740	5.9
158.99651	34.3
161.01199	17.5
161.02776	9.3
162.01778	4.4
163.03839	4.4
165.01295	10.2
167.01062	2.5
170.99652	11.9
174.01865	33.3
176.01588	3.0
177.00714	5.8
182.03299	4.1
182.99652	5.6
183.02342	13.4
185.01204	4.6
186.99152	16.3
188.01534	3.7
189.00742	6.5
191.03873	12.5
197.02086	22.4
200.04466	5.3
201.00682	10.2
203.02277	5.0
205.00198	26.1
206.02602	61.5
209.05020	4.6
215.03174	11.6
219.01729	15.9
223.01242	14.5
227.07634	3.3
230.11763	2.9
237.02832	5.0
246.11540	3.1
248.99225	18.8
255.04405	12.2
256.44931	3.1
267.00238	10.4
287.05280	20.0
287.13995	6.1
287.17371	10.2
287.21048	4.9
287.55475	3.8
291.00284	49.2
309.01520	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	286.1441
Annotation	Carbazomycin D
Peak:m/z	Relative Intensity
55.05502	0.4
58.54151	0.3
67.05506	0.4
72.08162	0.5
73.80029	0.3
74.16942	0.3
75.43168	0.2
76.43305	0.3
79.05507	2.2
88.03999	0.4
90.73807	0.3
91.05500	0.4
93.07057	0.4
95.04977	1.9
98.97601	0.6
103.05463	2.1
105.07037	100.0
109.10120	0.4
119.04949	6.3
121.06524	0.7
122.09673	4.7
123.04433	13.8
129.06966	0.4
136.07585	2.0
147.04417	7.6
148.07516	0.6
163.05731	0.3
165.05492	7.8
169.43616	0.3
171.10063	0.3
240.13841	28.0
247.17513	0.3
268.11874	0.4
286.14368	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1394
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
50.87873	0.6
50.92205	0.7
52.76591	0.6
52.98259	0.6
62.21106	0.7
65.50083	0.6
65.80212	0.6
68.97393	0.6
70.06589	16.1
72.08155	2.7
74.05180	0.6
84.05630	100.0
98.06082	0.7
98.97592	1.3
107.04961	0.7
127.08679	10.1
155.08131	4.5
163.03935	1.0
166.08531	1.1
167.06967	1.3
194.08099	1.3
208.10818	6.0
226.11873	7.4
229.15587	1.0
254.11354	1.5
268.12872	7.8
286.13971	80.6
286.16974	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1401
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
65.28751	0.3
66.51085	0.2
70.06600	56.5
72.08160	1.6
84.04502	0.7
84.08156	0.3
85.02914	0.6
101.07140	0.3
107.04993	0.4
112.07613	100.0
116.07098	2.2
117.62621	0.3
122.02735	2.1
122.40281	0.3
123.04448	8.9
129.06514	0.4
129.10249	3.1
130.05013	0.4
140.07076	52.6
143.01921	0.4
147.07671	1.6
152.03549	0.3
152.05719	1.6
153.06033	0.4
157.09721	3.7
158.09671	1.6
161.02972	0.5
165.05469	3.5
170.14566	0.3
171.11313	0.6
175.22942	0.3
182.99767	1.2
194.04503	2.7
201.00748	1.6
212.05586	1.3
217.01831	0.4
222.04103	0.4
240.13416	1.6
244.13058	0.4
268.13028	1.9
269.11462	0.4
286.04135	0.4
286.14014	8.7
286.17502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1399
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
50.79869	0.3
51.82137	0.3
53.73521	0.4
57.04551	0.7
57.48515	0.3
60.05639	0.3
70.06596	4.6
72.08162	0.7
77.30760	0.3
79.05510	0.5
83.69123	0.4
84.05636	100.0
85.06414	6.6
86.09704	0.5
86.90995	0.4
96.05624	0.5
99.35678	0.4
102.06628	0.4
102.85645	0.4
106.00462	0.4
107.04962	2.1
112.05045	0.5
116.07127	0.5
120.08043	0.6
123.04443	1.7
124.03979	0.4
135.04434	0.6
141.10149	0.5
148.07549	2.7
153.05479	0.5
162.10304	0.5
166.53302	0.4
167.07007	0.3
169.09787	0.6
179.62682	0.4
180.10153	0.7
190.09853	0.6
208.09673	0.9
215.13934	2.5
222.12337	3.6
223.06671	0.4
240.13391	0.6
250.11897	0.9
254.11360	1.7
268.12933	37.2
286.13992	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55487	0.3
56.79660	0.3
58.99596	0.8
60.05645	0.3
60.57719	0.3
70.06596	0.9
72.08161	2.8
76.02244	4.1
84.05630	9.5
84.08138	0.5
85.06377	0.4
86.09696	0.4
86.99065	0.6
95.04969	4.1
98.07175	0.8
105.00108	2.6
110.07195	0.5
112.08722	0.5
116.07081	4.8
121.06497	1.0
122.02731	28.5
123.04431	100.0
124.07574	0.6
128.08208	2.0
134.67133	0.4
135.02657	0.5
143.06921	2.3
156.07695	0.6
164.08211	0.6
165.05472	43.2
182.09253	23.4
194.04506	0.5
198.08734	0.6
222.01115	0.5
224.10411	0.4
236.41098	0.4
240.02100	0.5
268.06644	0.4
268.09393	1.8
286.07541	0.5
286.10349	12.1
286.13455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70559	0.3
58.99585	0.9
62.87392	0.3
76.02245	5.4
78.55898	0.4
84.05638	4.9
85.02896	0.8
86.99045	0.9
95.04984	4.0
97.02942	0.4
105.00113	2.6
121.06463	0.4
122.02728	25.3
122.03616	0.9
123.04427	100.0
124.03947	9.8
133.69597	0.4
143.01950	0.6
154.07246	0.6
165.05472	36.3
175.04259	0.5
182.09267	2.5
185.02908	0.9
203.03961	0.4
226.76205	0.4
245.05057	1.0
286.11151	1.0
286.14069	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	285.279
Annotation	9-Octadecene-1,18-diol
Peak:m/z	Relative Intensity
52.38158	1.5
53.12696	1.1
55.05524	39.1
57.07079	14.8
67.05509	44.0
69.06698	2.4
69.07072	63.2
71.05019	10.7
71.08620	6.5
79.05450	1.4
81.07065	83.0
83.08624	55.5
85.06553	2.0
85.10189	5.7
91.53479	1.5
95.08610	100.0
97.10171	67.6
107.08569	1.4
109.10159	62.7
109.10867	2.9
111.11736	25.8
123.11710	24.4
125.13260	5.7
130.60117	1.5
137.13264	11.9
144.08093	25.8
151.14845	2.6
158.09653	6.3
165.16403	1.9
170.09657	55.2
171.10440	15.8
189.12729	9.6
194.30104	1.5
198.12872	1.9
199.12288	13.7
201.12694	5.3
202.14647	15.2
229.16051	2.4
244.22742	5.3
249.25739	2.8
252.94267	1.5
253.31378	1.4
267.26791	10.9
285.19550	25.2
285.22281	9.1
285.27841	19.1
285.33557	2.9
285.69632	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14976	0.9
53.03957	0.8
55.05521	39.7
57.07090	14.9
57.92020	0.8
67.05514	43.5
69.07073	64.7
71.05000	7.9
71.08640	9.4
74.62062	0.9
79.05508	1.9
81.07067	86.5
83.08628	64.2
85.06544	5.9
85.10194	3.7
93.07045	1.4
95.08611	100.0
97.10173	65.4
109.10162	58.1
111.11723	25.4
123.11716	27.2
125.13297	4.5
129.81795	0.9
132.71278	0.9
133.10278	1.0
137.13266	11.3
144.08084	10.6
151.14832	4.2
165.16434	1.1
170.09660	34.4
171.10463	7.9
179.17903	3.8
186.20810	1.0
193.19615	1.4
199.12309	9.1
201.13829	1.3
202.14665	9.6
249.25743	5.3
255.26663	0.8
267.26889	7.6
285.19540	13.2
285.22336	2.9
285.27902	23.3
285.69568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2789
Annotation	9-Octadecene-1,18-diol
Peak:m/z	Relative Intensity
53.03963	1.1
53.91967	1.0
55.05522	36.4
57.07085	12.7
57.82458	1.3
67.05515	48.5
69.07075	58.2
71.04990	7.5
71.08626	7.2
81.07063	81.4
83.08629	58.9
85.06535	4.6
85.10175	2.8
87.40304	1.2
92.32202	1.1
95.08611	100.0
97.10169	64.1
109.10162	59.5
111.11733	22.4
111.57090	1.1
117.34726	1.3
117.75938	1.1
123.11703	25.0
125.13235	2.4
129.81934	1.4
137.13232	8.8
144.08099	7.7
149.40810	1.3
151.14847	4.7
170.09662	25.3
171.10358	5.1
199.12337	6.9
201.13908	1.4
202.14659	6.2
233.16650	1.3
249.25694	2.5
267.26843	4.8
285.19720	10.6
285.27917	20.7
285.69849	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	285.2789
Annotation	9-Octadecene-1,18-diol
Peak:m/z	Relative Intensity
53.03944	0.8
53.12828	0.7
53.61019	0.7
55.05522	34.9
57.07085	17.0
67.05513	49.1
69.07075	58.9
71.05008	9.2
71.08638	8.5
75.88983	0.7
79.05492	3.3
81.07063	84.5
83.08626	63.1
83.09000	0.8
85.06540	5.2
85.10185	3.9
89.68952	0.7
92.17822	0.9
93.07051	1.6
95.08610	100.0
95.31349	0.8
97.10172	67.2
102.77810	0.9
109.10163	65.8
111.11719	27.0
120.08155	0.9
123.11700	24.3
125.13284	5.9
137.13237	9.2
144.08072	11.0
151.14839	3.1
158.09659	1.7
165.16368	3.4
170.09650	35.7
171.10419	7.5
179.17946	1.1
187.12300	1.3
193.19708	1.5
198.12704	1.4
199.12241	10.3
201.13986	2.6
202.14650	9.2
249.25807	5.5
267.26785	9.8
268.05807	1.0
285.19617	21.1
285.27829	20.8
285.69846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2424
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
54.59868	0.6
55.01871	1.2
55.05283	0.9
55.05524	14.1
57.03436	3.4
57.07089	9.1
59.04989	0.8
65.09521	0.7
67.05512	27.5
68.32113	0.6
69.03424	5.7
69.07077	23.9
71.04996	8.3
71.08629	1.4
77.32049	0.5
79.05491	11.9
81.07063	43.3
81.07545	1.4
83.05002	7.6
83.08627	10.4
85.02907	10.2
85.06554	6.4
85.09708	0.9
85.10184	17.3
91.05484	12.4
93.07043	23.3
95.04953	8.2
95.08605	15.4
97.06529	4.3
97.10162	3.9
99.04450	1.5
101.06019	1.2
105.07031	23.0
107.08594	27.5
109.06536	9.3
109.10159	80.9
110.75924	0.7
111.08092	1.6
112.36777	0.7
113.05995	7.1
113.09646	15.7
115.07615	0.8
117.07087	0.9
119.08585	14.6
119.35271	0.8
121.10139	38.5
123.08053	4.8
123.11717	12.1
127.07543	4.9
131.08611	5.3
131.09409	0.7
133.06514	1.1
133.10135	55.3
135.08090	1.0
135.11700	3.4
137.05974	0.9
137.09636	1.3
137.13231	0.8
138.34694	0.8
141.12772	7.2
144.08102	3.3
145.10089	3.0
147.08043	2.7
147.11670	5.0
149.09583	5.9
151.11186	15.7
155.08435	0.9
157.10089	1.1
159.08060	7.6
161.06059	1.1
161.09630	1.5
161.13274	2.9
165.12744	16.0
167.14336	2.6
169.12234	33.6
170.09639	13.0
171.10414	1.0
171.13786	0.9
175.11208	1.7
179.14322	1.3
183.11801	1.2
187.11151	1.1
189.12787	4.2
193.06610	1.2
197.13499	1.3
197.15344	15.7
199.12424	2.6
199.14857	1.1
201.12659	5.6
202.14676	3.8
209.19038	2.7
221.05971	1.3
225.09105	3.5
229.12314	1.1
231.21037	12.2
249.22121	16.6
249.60423	0.8
253.08662	8.6
267.23184	100.0
285.11343	3.8
285.18991	8.5
285.22150	3.7
285.33649	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
60.05634	2.0
61.32890	0.4
61.64729	0.3
65.34995	0.4
70.06570	2.1
72.08163	29.5
76.03487	0.3
77.93430	0.4
79.91824	0.4
84.04492	0.7
84.05607	4.7
84.08141	4.3
85.05945	0.5
86.46935	0.4
95.08601	0.6
96.05617	3.1
109.10173	0.6
110.07144	1.0
114.06596	0.7
114.10265	2.5
131.12955	5.1
132.62169	0.4
136.06194	10.6
136.11211	1.9
137.06651	5.9
137.09619	1.8
138.10222	0.5
153.04062	2.0
154.12279	0.8
155.10661	2.8
172.13326	0.5
177.05434	0.5
178.13414	3.5
179.06032	2.2
179.11794	0.5
189.45100	0.4
196.14476	17.2
196.20656	0.4
207.08405	0.5
214.15514	29.4
221.04977	0.6
250.19096	0.5
255.11624	1.5
267.11810	0.8
267.21838	10.0
268.10825	0.5
268.20193	1.8
285.10162	1.7
285.12445	1.3
285.22855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17468	0.4
55.01864	1.3
60.05659	16.4
70.06585	2.8
71.26642	0.5
72.05643	1.3
72.08160	45.0
84.07675	0.8
84.08146	16.8
93.07031	4.5
95.08612	1.1
98.11034	0.5
101.10765	3.0
107.08595	0.7
109.10178	6.5
114.10299	13.2
119.08586	5.2
125.09583	1.0
126.10275	0.8
128.44440	0.5
131.11996	0.9
131.12933	23.6
132.69426	0.5
136.06184	2.6
136.11217	6.3
137.06519	3.0
137.09636	11.5
137.10648	1.1
154.12286	10.1
155.10672	4.7
156.79405	0.6
178.13399	5.1
179.11765	2.5
196.14476	15.0
214.15517	10.0
249.20856	1.2
250.19081	2.3
267.18768	2.4
267.21796	76.6
268.20300	1.4
285.22855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2216
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
56.40212	1.1
57.07062	1.4
57.80098	1.5
60.34002	1.6
64.45248	1.2
67.05509	6.4
69.07070	2.6
71.08642	12.4
71.32528	1.3
76.68791	1.2
81.07059	3.2
91.05461	3.3
93.07062	2.4
95.08605	3.3
97.06512	6.8
99.08089	9.5
100.29656	1.4
105.07029	5.7
106.27822	1.8
107.08620	2.2
109.10166	1.7
117.07006	2.9
119.08596	9.0
121.10172	1.6
127.11230	2.3
129.06984	15.9
131.08551	19.2
133.10170	2.1
141.06998	2.6
143.08563	11.1
144.08101	3.3
145.10115	14.7
155.08513	3.0
157.10095	7.6
159.11726	9.9
161.09644	1.8
169.10162	9.5
170.09691	11.7
171.11699	96.5
171.13165	3.2
173.09682	2.4
173.13210	1.7
183.11682	11.7
185.13269	11.3
187.14871	2.5
189.16466	2.7
197.13300	14.2
199.12274	2.4
201.12770	6.2
201.16437	17.1
202.14697	5.7
206.40254	1.6
211.14856	11.1
215.14359	1.8
225.16374	1.6
227.81125	1.5
267.21078	28.9
285.19543	6.3
285.22153	100.0
285.33563	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	285.2216
Annotation	Pisiferin
Peak:m/z	Relative Intensity
51.17925	0.9
55.05510	7.0
56.48887	0.9
57.07081	1.4
69.07072	14.0
72.33759	1.0
83.08623	7.4
96.78944	1.0
97.10151	10.4
133.06476	4.8
144.08072	2.4
145.06470	7.8
147.08067	9.7
149.09636	19.1
159.08069	16.2
161.09598	6.7
163.11099	1.3
169.07487	1.0
170.09680	15.8
171.10391	2.6
173.09589	9.3
173.45074	1.0
175.11163	23.7
177.12802	1.0
187.11156	22.0
189.12749	46.1
199.12440	1.7
201.12749	64.5
202.14664	2.5
203.14301	10.2
215.14330	26.4
229.15901	16.1
243.17418	18.4
285.19669	5.2
285.22165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05507	2.9
57.07079	3.4
57.78672	3.0
67.05503	4.0
69.07068	6.3
79.05511	3.3
81.07052	6.1
91.05477	4.2
93.07057	5.0
95.08619	13.0
105.07090	3.8
109.10158	5.4
117.07043	5.1
119.08577	5.0
129.07013	21.4
131.08583	21.3
133.10121	5.8
136.32866	2.9
141.07027	3.7
143.08609	4.1
143.26389	2.7
144.08095	12.1
145.10152	17.6
155.08577	4.8
157.10150	11.3
159.11685	13.5
169.10117	5.7
170.09686	34.9
171.10400	4.7
171.11667	6.0
173.13264	27.0
175.11171	4.6
179.10677	3.3
183.11739	11.8
187.11203	4.1
189.12758	12.0
197.13297	5.8
199.12245	4.8
199.15056	3.3
201.12593	20.3
202.14662	12.5
215.14395	4.7
221.05928	4.4
225.16269	3.2
229.15913	3.2
230.54439	2.8
241.19305	3.1
249.18512	3.8
253.08574	5.6
267.21402	20.7
285.11182	4.9
285.19473	16.8
285.22217	100.0
285.33408	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	285.2215
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05520	5.5
67.05516	8.6
69.03419	2.4
69.07063	2.6
70.58798	1.2
71.08634	5.9
74.77740	1.3
76.01807	1.5
77.70409	1.3
79.05490	2.9
81.07061	8.6
83.04982	3.1
83.08619	2.8
85.06554	2.1
91.05489	7.5
93.07048	10.1
95.04977	6.3
95.08596	11.5
97.06534	5.8
97.10185	2.1
99.08080	5.2
105.07030	13.8
107.08630	11.1
108.28873	1.5
109.06541	2.4
109.10166	3.2
117.07015	7.2
119.08598	11.8
121.06549	1.9
121.10165	10.4
123.08061	11.6
129.06995	39.3
131.08562	24.9
133.06476	1.7
133.10118	11.2
135.08023	5.1
137.09601	6.3
141.07007	2.3
143.08542	11.1
144.08096	8.1
145.10127	26.9
147.08078	11.3
147.09065	1.4
147.11707	5.6
149.09637	18.6
151.11200	3.1
155.08543	7.2
156.09413	2.8
157.10141	9.0
159.08046	5.3
159.11703	10.4
161.09631	7.4
161.13237	5.0
169.10120	8.4
170.09663	19.6
171.10420	4.8
171.11693	53.6
173.09662	14.1
173.13245	8.9
175.11230	5.3
183.11681	12.1
185.13315	10.5
187.11165	6.8
187.14799	5.2
189.12741	14.0
196.08646	1.6
197.13278	10.0
199.10948	2.2
199.12466	2.8
199.14876	2.3
199.73007	1.5
201.12674	18.9
201.16313	11.6
202.14661	3.3
203.14417	2.1
211.14853	9.5
215.14378	8.9
225.12758	2.6
225.16219	2.2
227.14569	1.9
229.12291	5.4
229.15927	2.3
235.58260	1.4
239.18181	1.5
241.19562	5.3
243.13776	6.2
253.08623	8.7
257.19150	1.4
257.22632	1.6
267.18085	1.7
267.21112	21.1
285.11377	1.6
285.18704	27.9
285.22156	100.0
285.33661	2.7
285.70325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56236	0.3
51.89363	0.3
56.99354	0.4
67.05505	0.4
69.07079	9.4
71.36845	0.3
92.17895	0.7
97.13282	0.4
114.85350	0.4
120.08099	0.8
132.08148	1.3
139.42232	0.4
144.08099	12.3
157.08870	7.4
158.09628	5.2
160.11203	1.7
170.09680	2.3
172.11212	9.3
184.11111	1.3
189.13948	3.2
199.12367	0.7
201.10201	0.6
201.13858	0.6
202.11070	2.8
214.15787	0.4
215.11818	1.5
216.12573	0.7
217.13385	57.8
228.13895	0.9
228.17647	0.4
240.17490	2.7
257.20126	3.1
280.35852	0.4
285.19623	100.0
290.08234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	3-Methoxyestra-1,3,5(10)-trien-16beta-ol
Peak:m/z	Relative Intensity
53.02321	1.2
55.05521	9.1
57.07076	2.8
69.07075	10.8
80.87538	1.1
81.07037	1.4
83.08635	4.4
95.08633	1.7
97.10175	19.2
108.46223	1.0
109.10156	1.4
128.44785	1.1
133.06480	6.4
144.08102	18.0
145.06474	8.7
147.08072	20.9
149.09656	2.5
158.09598	8.3
159.08066	18.5
161.09621	8.9
163.11194	2.1
170.09648	62.5
171.10448	16.8
173.09627	7.9
175.11194	38.7
185.09541	1.5
187.11151	22.5
187.12447	1.3
189.12753	100.0
199.12294	12.8
200.12852	1.4
201.12729	79.6
202.14661	19.7
203.14264	11.5
215.14316	27.8
227.14383	1.2
229.15846	31.5
243.17465	14.8
285.19543	50.8
285.22205	96.4
285.30313	1.5
285.33139	8.1
285.69604	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	285.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26772	1.4
55.05515	6.9
57.07075	7.2
57.52525	1.7
67.05502	9.5
69.07069	6.8
71.08627	10.4
79.05494	6.8
81.07053	13.7
81.53860	1.7
83.04987	3.7
85.06545	9.3
91.05485	7.4
93.07046	9.5
95.04978	8.1
95.08614	15.2
97.06541	2.0
97.10153	2.4
105.07043	13.0
107.04977	3.3
107.08598	10.6
109.06519	3.0
109.10122	3.9
111.08074	4.1
117.07008	9.4
119.08604	16.0
121.06519	3.8
121.10144	12.2
123.08103	15.9
125.09553	2.6
129.07007	43.5
131.08568	24.3
131.37656	1.7
133.06548	2.2
133.10126	15.3
135.08055	3.6
135.11697	3.9
137.09604	12.4
141.07010	8.4
143.08569	11.2
144.08113	8.3
145.10123	33.8
147.08031	16.0
147.11676	3.7
149.09630	25.4
151.11205	3.3
155.08604	3.1
157.10156	14.6
158.09671	3.0
159.08008	6.7
159.11713	4.0
161.09599	11.1
161.13222	2.4
169.10075	6.9
170.09677	25.8
171.10413	5.5
171.11694	57.5
171.13155	2.5
173.09578	13.5
173.13257	12.4
175.11185	8.1
179.10759	2.3
183.10237	4.3
183.11713	15.5
185.13293	10.4
187.11176	8.4
187.14842	8.9
189.12727	18.0
197.13301	10.1
199.12556	4.4
201.12740	23.4
201.16396	9.5
202.14717	9.3
211.11220	2.0
211.14835	10.7
215.14258	3.9
215.17918	2.3
221.05940	3.7
225.09145	3.4
225.12781	6.4
229.12314	10.9
241.19495	7.5
243.13786	15.6
249.18416	2.9
253.08659	11.8
267.21329	16.3
285.11346	4.0
285.18774	36.8
285.22189	100.0
285.33575	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	285.1852
Annotation	CHEBI:70571
Peak:m/z	Relative Intensity
57.07080	0.6
68.78085	0.5
69.03434	40.3
69.07047	0.7
74.81546	0.5
81.07063	0.7
85.06547	0.9
95.08612	1.0
97.06540	2.1
129.07062	0.7
131.08586	2.2
133.06508	1.4
133.10161	0.7
138.91774	0.5
144.05701	1.0
144.08078	3.0
149.09613	1.4
157.06346	0.6
159.08047	100.0
161.06026	1.1
163.11102	0.7
169.07571	1.5
170.09642	11.7
171.10429	1.4
173.09698	0.8
175.11211	4.5
183.08150	1.0
185.09595	0.9
189.12764	1.1
192.50386	0.6
198.12791	0.6
199.12415	0.8
201.12732	54.9
202.14638	0.8
207.11832	0.8
211.11124	0.6
221.05974	2.9
225.09099	3.4
225.12666	4.3
227.14319	3.7
243.13828	3.4
253.08562	7.4
267.17429	2.4
270.15756	0.7
278.10092	0.6
285.11176	3.7
285.18436	25.8
285.22141	1.3
285.33502	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.5
58.02331	0.4
60.32441	0.4
67.05500	0.5
69.03439	38.5
69.07066	1.6
69.54900	0.4
73.82392	0.5
79.05477	0.6
81.07054	0.5
83.04984	1.0
85.06562	0.8
91.05461	0.6
95.08614	0.7
97.06533	2.0
97.10182	0.5
105.07037	0.5
109.10159	0.7
110.31757	0.4
117.07034	0.4
129.07004	2.8
131.08607	3.3
133.06511	2.7
135.11720	0.4
137.09717	0.5
141.06969	0.6
144.08142	3.0
145.10139	1.7
147.08127	0.6
149.09605	2.9
155.08603	0.8
157.06564	0.4
157.10091	0.5
159.08061	100.0
161.05994	0.8
163.11169	1.9
165.06947	0.7
169.07614	2.8
169.10052	0.5
170.09648	8.2
171.10414	2.5
171.11739	0.7
173.09669	0.7
175.11194	3.5
183.08020	0.6
183.11784	0.6
185.09598	1.0
189.12794	1.6
190.06116	0.5
199.12437	1.6
201.12753	56.0
202.14603	1.8
211.11304	0.5
215.10724	0.9
215.14264	1.0
221.06015	2.4
225.09105	1.7
225.12709	5.0
227.14211	3.6
241.15933	0.5
242.13176	0.9
243.13785	2.7
253.08649	8.1
267.17407	2.1
285.11377	3.4
285.18582	27.0
285.22186	5.8
285.33383	0.5
302.84790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88615	7.1
52.60735	8.4
53.71455	7.5
57.37574	7.4
62.30105	6.8
81.07079	8.4
144.08095	32.4
153.00352	35.4
155.01891	11.9
170.09676	75.6
171.01419	100.0
171.10439	9.3
189.12654	11.4
198.81519	8.8
199.12370	10.7
202.14667	37.1
237.09732	11.7
285.19412	31.6
285.22296	31.6
285.33688	14.5
303.18051	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	1.8
69.79008	0.8
70.06595	93.5
72.08158	1.7
76.95361	0.8
79.05483	1.1
80.12906	0.8
81.07050	0.9
82.06564	1.1
84.08142	1.4
110.06041	18.3
121.02860	3.6
130.06541	14.7
140.07063	4.6
144.08067	2.1
148.07579	3.7
150.05536	3.9
154.04988	0.9
158.06010	14.1
161.05994	1.6
167.07304	1.0
168.06548	9.5
168.08069	3.5
170.05998	100.0
170.09627	16.4
179.07007	1.0
182.09695	4.1
196.07559	5.2
196.11229	21.2
198.05495	74.1
198.09183	1.9
210.09142	5.8
212.10745	3.7
213.13895	3.7
216.06569	4.2
222.09174	1.5
223.12305	1.9
224.10725	11.8
238.08627	16.3
239.11807	3.6
241.13327	20.5
250.08646	2.1
257.12839	5.6
257.20108	1.1
267.11234	33.6
285.12357	53.9
285.19385	10.7
285.26385	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	285.1125
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
67.05518	4.4
67.19477	0.5
79.05476	0.8
93.07023	2.4
107.08580	1.0
109.10165	0.9
125.44495	0.6
135.08055	1.2
137.05998	0.7
146.03651	0.9
153.09120	1.0
157.44023	0.6
161.05966	12.0
165.07007	4.9
193.06412	5.8
194.07217	0.9
197.09624	1.3
207.08090	1.2
210.06818	4.7
211.07599	0.6
221.05977	9.1
224.08344	2.4
225.09099	20.1
227.07021	2.2
238.06184	2.9
239.07062	0.7
242.09285	0.7
252.07811	1.0
253.08569	17.5
254.09297	1.3
255.06528	3.2
267.10104	3.7
270.08820	14.5
281.57239	0.6
285.11203	100.0
302.33862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09494	2.0
58.85357	1.7
59.90877	1.8
71.82270	1.8
110.07150	10.1
156.07733	4.6
195.30252	2.0
215.95609	4.3
216.72530	2.4
218.92882	1.9
220.02159	3.5
226.00447	2.0
238.95558	20.2
244.02103	18.7
256.96591	71.1
261.03018	4.0
261.97174	7.0
262.03192	100.0
274.97723	8.6
279.98206	32.5
285.07776	4.1
290.34332	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2949
Annotation	Stearamide
Peak:m/z	Relative Intensity
51.85180	0.8
54.12535	0.7
57.07070	2.0
59.36856	0.8
60.08170	1.9
76.06628	0.8
87.06991	0.8
88.83336	0.9
102.09216	2.0
116.10703	3.5
130.12265	2.0
167.78465	0.8
168.53194	0.9
284.29498	100.0
284.33109	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	284.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	0.3
60.58636	0.3
65.03946	0.3
67.58257	0.3
70.06598	0.9
72.04517	0.8
72.08165	3.4
84.05651	1.4
84.08157	2.3
86.09704	0.8
88.04004	0.4
97.08916	0.3
98.06031	0.4
100.07628	39.5
110.09688	0.4
112.11242	1.8
114.09179	8.4
114.10028	0.5
114.10294	0.6
126.12800	63.6
129.10225	0.6
141.05472	0.7
151.03917	100.0
152.05682	0.5
154.12276	1.4
157.10846	0.3
168.13969	0.5
168.37849	0.3
169.13394	0.6
171.14926	3.8
185.16467	4.2
185.83771	0.4
199.17972	0.8
213.16003	8.9
224.21292	0.4
225.19525	0.8
242.22363	1.8
257.77963	0.4
266.11029	0.5
284.07541	0.5
284.12189	1.4
284.15549	2.1
284.23337	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	284.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53989	0.4
57.15697	0.6
58.06606	0.6
68.85512	0.5
70.06590	1.0
72.04496	2.1
72.08149	2.5
84.05596	0.9
84.08138	2.8
100.07626	67.4
110.09660	1.2
112.11230	3.2
114.09171	14.1
126.12798	100.0
129.10257	0.9
147.03625	0.6
147.37767	0.6
151.03925	13.2
151.05066	0.8
153.13950	0.7
154.12225	1.1
168.13712	0.7
169.13394	0.9
171.14922	6.5
185.16499	5.8
189.46556	0.6
213.15982	11.8
224.21243	0.7
225.42574	0.5
242.22322	2.3
266.22449	0.6
284.23337	99.8
289.37585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1496
Annotation	Codonopsinol
Peak:m/z	Relative Intensity
55.05510	0.1
56.96588	0.1
60.05673	0.1
69.03432	0.1
70.06604	0.6
72.08163	1.3
84.04506	0.1
85.02924	0.3
87.06522	0.1
92.18388	0.2
97.02920	0.2
98.06069	0.2
98.97572	0.1
105.07044	3.0
105.07687	0.2
111.04435	0.1
123.00786	0.1
125.01654	0.1
125.06075	0.1
126.12813	0.1
134.09663	0.8
136.06195	0.2
137.02483	0.1
138.03101	0.2
145.04346	0.1
146.09694	0.2
147.04358	0.2
151.03914	0.8
153.05437	0.3
160.68208	0.1
163.03876	0.2
165.09099	0.1
171.06523	0.2
181.04962	25.5
182.03377	0.1
191.03918	0.1
210.05182	0.3
213.87637	0.1
219.01712	0.2
225.07582	100.0
248.12823	0.8
266.10959	0.2
266.13858	3.6
284.06055	0.2
284.14920	14.2
284.19833	0.4
284.25287	0.7
287.35681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04189	0.3
53.77765	0.3
55.05527	0.4
57.04573	0.8
58.46088	0.3
60.04541	0.4
60.05651	1.4
66.73457	0.4
69.03430	0.3
70.06600	12.8
72.08167	3.2
79.05477	0.6
80.69887	0.4
84.05637	100.0
85.06409	2.0
88.04001	0.5
91.05484	0.6
96.74513	0.4
97.02893	0.6
105.07042	29.4
117.07014	0.6
120.08146	0.5
122.09669	0.5
127.03976	0.5
134.09677	10.2
146.06042	0.5
147.04425	0.8
149.12170	0.4
151.03944	3.9
152.05705	0.8
164.06987	1.4
164.10767	0.6
178.08627	0.5
179.07050	0.6
181.04956	0.7
182.63448	0.4
192.06580	0.8
202.12135	0.5
206.09279	5.0
224.10283	1.5
225.07562	2.0
248.12816	7.9
252.09785	0.7
266.11267	5.5
266.13864	37.6
284.12372	53.0
284.15051	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	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
70.06568	0.3
71.01324	0.4
72.08142	0.7
73.02920	7.0
77.29337	0.2
77.75121	0.1
82.74454	0.2
84.49682	0.2
87.04478	3.5
90.69611	0.2
104.10693	0.4
106.20637	0.2
110.07181	0.2
135.03023	1.2
136.06190	23.1
137.04619	0.2
139.03885	0.4
151.03908	1.0
152.05676	100.0
153.04071	1.5
153.05347	0.3
170.32132	0.2
193.03360	0.2
195.02692	2.7
225.07574	0.3
266.08759	0.3
284.10141	2.7
284.14944	5.3
284.21643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07170	1.1
57.61302	1.1
58.27523	1.1
63.88923	1.1
71.06117	2.2
72.08146	16.5
72.28774	1.1
73.08470	5.3
74.10637	1.2
78.04829	1.1
80.04977	2.1
84.05112	2.3
84.05630	71.4
84.08127	1.3
88.16593	1.2
88.97459	1.1
89.10811	1.6
96.04498	2.6
96.05616	13.2
97.02866	1.9
98.06062	1.7
105.92693	1.1
108.04458	6.9
109.05280	9.9
111.04437	2.7
114.06632	10.4
136.06183	9.4
145.02820	1.4
146.03169	1.7
148.07597	2.6
148.08749	1.5
149.05923	1.8
152.05661	12.1
159.04402	1.2
160.07527	1.5
165.33270	1.1
166.08621	9.7
167.07080	9.4
168.07365	2.1
176.07079	4.8
177.05463	2.1
178.05791	11.0
178.08583	5.5
194.08119	16.5
195.06516	11.4
205.09723	1.8
206.08122	35.3
208.10799	6.3
221.13612	1.5
224.09088	6.6
226.11852	2.5
236.10275	2.4
237.08556	6.2
248.10226	2.4
249.12964	1.5
254.11334	77.5
266.11377	56.3
266.14343	1.8
266.15878	5.4
267.10629	1.9
267.14203	7.0
278.25983	1.5
284.12421	100.0
284.16663	10.6
293.38007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45478	0.1
51.89822	0.1
63.96787	0.2
65.03952	0.2
67.05435	0.1
70.06585	0.4
72.08163	4.1
72.42844	0.2
73.06551	0.3
73.08498	1.7
81.97349	0.2
84.04508	3.7
84.05635	3.6
84.08155	0.3
85.02928	0.3
85.06393	0.4
86.09717	5.2
87.04492	0.3
88.03993	0.4
88.11272	0.3
90.05570	0.3
95.04936	0.2
98.06046	1.0
100.54184	0.2
105.07005	0.2
107.04964	0.3
108.02114	0.3
123.08604	1.7
123.58787	0.2
125.67086	0.2
129.06572	0.2
132.04408	0.2
132.10213	2.9
133.57428	0.2
135.04460	0.2
136.06186	0.7
137.06032	0.4
138.06305	0.4
141.05463	1.0
151.03908	100.0
152.05676	0.9
152.07889	0.4
164.08018	0.2
167.06989	0.3
168.07361	0.6
177.05511	0.3
178.05827	0.7
197.12880	2.2
206.07973	0.3
221.13666	0.9
225.12440	0.2
243.13388	3.4
245.16531	0.2
249.13069	0.4
263.62827	0.2
266.06711	0.2
266.11417	1.3
267.14227	5.9
284.07541	0.7
284.12360	2.9
284.16876	8.7
302.12448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79838	1.1
59.98595	1.1
61.41837	1.1
66.93626	1.2
72.08135	2.2
72.93784	2.7
107.89745	1.5
108.61448	1.3
116.96269	2.2
155.05911	1.6
168.99516	2.1
176.99841	1.4
187.00517	15.4
216.63765	1.6
225.02043	12.7
243.03117	10.2
261.04214	100.0
279.05231	5.8
284.10248	3.3
284.20917	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	283.2636
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
51.59069	0.6
55.01872	1.5
55.05522	21.2
57.03439	0.8
57.07085	7.5
57.48016	0.7
59.41214	0.6
59.95345	0.7
67.05515	17.5
69.06704	1.5
69.07072	38.8
69.95171	0.6
71.04990	6.3
71.08612	4.0
73.06538	1.0
79.05506	6.2
81.07064	21.4
83.04989	2.7
83.08118	0.8
83.08625	22.7
83.59770	0.6
85.06142	0.6
85.06555	9.2
85.10149	1.0
92.17845	0.8
93.07053	8.7
95.08057	1.2
95.08612	25.5
97.06543	5.6
97.10179	15.6
99.08096	0.9
107.08608	7.7
109.10155	14.8
111.08113	6.3
111.11720	3.2
117.76431	0.7
121.10159	14.8
123.11682	3.4
124.35906	0.7
125.09657	1.1
135.11671	8.8
139.11147	0.9
139.16872	0.7
145.10127	1.2
149.13254	2.9
166.70248	0.7
177.16451	0.9
247.24261	1.4
265.25214	9.4
283.09979	0.8
283.15305	3.6
283.26321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2633
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
55.05523	15.4
57.07082	7.2
62.53775	0.7
64.14249	0.7
67.05515	56.8
69.07079	27.4
71.05002	34.1
71.08638	1.8
72.08132	0.8
79.05508	15.9
81.07069	83.0
83.08628	23.2
85.06555	19.2
86.65390	0.7
91.05484	3.3
93.07052	24.7
95.04978	1.2
95.08612	100.0
97.06533	3.4
97.10178	14.3
98.06052	0.8
98.97587	1.1
99.08096	3.6
105.07027	1.4
106.36973	0.7
107.08608	16.1
109.10168	51.9
111.08062	1.9
111.11712	4.2
111.12424	0.8
117.07004	1.0
119.08667	0.9
121.10146	38.8
123.11716	19.6
133.10184	1.1
135.11703	27.1
137.13309	5.5
143.08636	1.4
145.10120	1.6
149.13240	11.2
151.14832	5.1
159.11650	0.8
161.09644	1.6
163.14792	5.1
165.16379	3.3
168.88478	0.9
173.13168	0.9
177.16463	1.4
179.17946	1.1
185.40889	0.8
191.17975	1.1
193.68932	0.9
205.19576	1.0
219.01756	1.3
241.10097	0.9
247.24205	8.5
255.11256	0.9
265.25342	12.9
283.10339	3.4
283.15479	1.6
283.20816	5.7
283.26404	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	283.2632
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
55.01881	4.5
55.05296	1.4
55.05523	30.9
57.07087	15.3
67.05518	15.6
69.07076	81.0
71.04976	1.9
71.08624	5.4
72.45005	1.1
73.06509	1.6
74.87264	1.0
79.05486	7.9
81.07064	28.0
81.91211	1.0
83.04964	5.0
83.08627	38.8
84.08315	1.0
85.06522	2.0
85.10178	1.4
91.30930	1.0
93.07041	13.8
95.08613	36.4
97.06517	10.7
97.10175	33.6
99.08096	2.7
107.08595	13.1
109.10165	17.3
111.08093	2.3
111.11723	6.8
116.71782	1.2
121.10148	25.4
123.11688	4.3
125.09608	9.9
131.14542	1.1
135.11681	14.5
139.11183	1.6
149.13260	2.1
163.14781	1.6
177.16383	8.4
195.17374	3.8
226.96570	1.1
247.24245	2.4
252.57687	1.1
265.25241	23.3
267.90289	1.5
283.26306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
60.05656	25.5
67.05497	1.4
69.07062	1.9
70.06585	0.5
72.08158	35.5
73.05177	0.3
79.05503	3.7
79.43945	0.3
81.07050	2.0
83.04964	0.4
84.08144	0.9
86.06067	0.4
89.10791	0.9
91.05457	2.9
92.17809	0.4
93.07047	22.4
94.56708	0.3
95.08607	10.6
97.07649	2.4
107.07880	0.8
107.08596	17.2
109.10173	0.5
114.10292	25.0
114.11105	0.8
131.12929	21.5
135.11717	2.8
195.90773	0.4
212.17546	5.9
224.20164	0.6
241.22620	0.4
266.22305	0.7
283.24921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
57.42758	0.7
60.05659	26.9
63.23391	0.7
63.43639	0.6
67.05499	1.5
69.07069	1.2
70.06600	0.7
70.32549	0.7
70.96111	0.7
71.05007	1.0
72.08160	32.6
79.05484	1.3
81.07048	4.2
85.06540	4.2
91.05482	1.1
93.07051	16.9
95.08607	9.9
97.07647	1.6
107.08608	16.6
114.10294	27.6
127.08694	1.0
131.12930	19.6
135.11682	1.6
145.10170	0.7
148.61719	0.8
181.88310	0.7
212.17603	4.5
283.24933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36082	0.3
53.07984	0.3
55.05507	1.6
56.77103	0.4
60.05659	26.6
67.05498	2.3
69.07059	2.0
71.04977	0.4
72.08161	48.3
79.05481	2.8
79.05872	0.4
80.01443	0.4
81.07052	2.8
84.05643	0.8
84.08147	3.7
85.06551	9.4
85.52644	0.4
87.04452	0.5
89.06036	32.3
89.10766	2.9
89.28432	0.4
91.05474	2.2
93.07044	19.2
94.29221	0.4
94.53024	0.4
95.08617	8.2
97.06508	0.5
97.07661	3.5
98.06054	3.9
99.25868	0.4
105.07031	0.8
106.15597	0.5
107.08601	14.8
109.10162	0.6
114.10294	30.2
115.08675	0.9
127.08678	29.2
131.12933	18.9
133.07657	0.6
133.08611	12.1
133.10100	0.9
135.11707	4.1
135.75519	0.4
139.39429	0.4
143.31656	0.4
177.11180	3.5
178.63275	0.4
194.16550	0.6
212.17601	4.2
239.14801	0.6
247.18118	0.6
259.25473	0.4
265.19122	0.9
265.23904	1.6
266.22345	0.6
283.17447	4.0
283.20172	18.6
283.24918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67383	0.3
55.05515	0.4
60.05657	21.9
62.80099	0.3
67.05497	1.9
69.07046	1.3
70.06590	0.5
72.08160	32.6
79.05485	2.0
81.07066	2.6
89.10772	0.5
91.05476	1.7
91.15248	0.3
93.07047	17.3
95.08603	8.7
97.07656	2.4
105.06986	0.3
107.08601	14.3
110.68890	0.3
114.10291	22.2
131.12932	18.0
135.11693	1.8
140.74887	0.4
212.17586	4.6
224.20216	0.5
266.22034	0.4
283.24918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
58.13274	0.6
59.32272	0.5
60.05365	1.0
60.05659	27.1
66.96223	0.5
67.05482	0.6
69.07056	1.2
70.06574	0.8
72.08160	36.5
79.05471	3.1
81.07037	3.9
83.04954	1.0
84.08167	0.7
91.05461	1.2
93.07047	20.2
93.84315	0.7
95.08608	9.9
97.07631	3.5
105.07029	1.2
107.08600	16.2
114.09536	1.2
114.10291	28.1
131.12927	22.9
133.06499	0.8
135.11661	3.5
153.12698	0.8
181.04945	1.3
212.17603	5.0
229.10201	0.9
265.10660	1.6
283.11749	1.0
283.24921	100.0
293.29938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2269
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
50.12091	1.2
55.01879	15.4
55.05518	14.3
56.40493	1.1
57.03436	6.6
57.07088	11.1
57.23793	1.2
60.45391	1.2
61.27449	1.2
67.05502	3.4
69.07076	24.9
71.08629	2.1
73.02925	37.2
79.05478	2.3
81.07056	9.1
83.08626	16.8
89.06016	1.6
92.17885	2.1
93.07052	3.3
95.08597	8.3
97.06568	2.6
97.10181	10.2
107.08559	3.0
109.10174	2.7
121.10138	5.8
129.05478	2.2
135.11726	2.1
149.13210	1.5
209.19067	2.6
227.20113	7.3
239.01643	1.5
241.15952	2.1
267.85782	1.4
283.22757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2269
Annotation	3-Epilitsenolide D1
Peak:m/z	Relative Intensity
53.03949	3.2
53.53460	2.9
55.01883	7.3
55.05522	89.3
57.03437	2.8
64.66135	2.9
67.05516	30.1
67.09864	3.0
69.03423	18.5
69.07082	28.1
69.49380	3.2
69.82926	2.9
71.04991	13.0
71.08639	32.6
73.42120	3.1
79.05499	57.2
81.03425	62.1
81.07072	62.2
83.04980	21.3
83.08620	58.4
85.06533	6.0
91.05471	18.2
93.07047	45.4
93.54727	3.1
95.04986	22.9
95.08610	43.8
97.06541	16.6
97.10171	38.6
99.08092	19.5
105.07010	17.6
107.08609	58.6
109.06529	3.8
109.10164	13.1
111.04422	32.3
112.19949	3.5
119.08548	19.9
121.10126	38.3
123.08086	6.6
123.11713	5.3
125.09628	20.7
125.25142	3.2
131.08481	3.9
133.10152	4.8
135.11691	30.5
139.11142	5.2
145.10112	5.2
147.11700	22.1
149.13269	7.3
153.12700	7.9
159.11696	7.4
163.11176	16.7
163.14786	4.3
165.12793	19.3
169.12279	5.5
177.12750	6.6
181.12227	3.8
195.13817	23.7
229.19519	5.0
247.20538	7.7
247.89624	3.5
265.21637	64.5
283.09503	4.0
283.22696	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	283.227
Annotation	3-Epilitsenolide D1
Peak:m/z	Relative Intensity
52.48097	1.6
55.05529	2.5
57.07086	29.9
62.90979	1.5
66.34988	1.6
67.05508	24.1
69.07069	8.1
79.05492	7.6
81.07065	10.5
83.08606	6.8
85.10188	100.0
89.06029	2.0
91.05477	3.7
93.07038	19.0
95.08612	22.7
97.06543	1.9
105.07040	2.6
107.08605	15.6
109.10139	3.6
113.09650	90.0
119.08577	16.9
121.10145	3.8
131.10660	4.3
133.10143	4.5
135.08093	3.2
135.11697	53.4
137.09610	19.6
149.13257	2.2
153.12778	7.2
167.14339	8.0
181.15921	8.9
210.58549	1.8
247.20616	20.1
265.21613	89.3
283.22726	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	283.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
60.05651	2.5
70.06586	2.2
70.94250	0.4
72.05650	0.8
72.08162	37.7
79.05492	0.6
81.07076	0.5
81.22533	0.3
84.05630	3.2
84.08158	4.2
89.10777	0.7
92.17828	0.5
93.07039	0.8
94.06524	0.3
96.05606	0.5
98.06035	0.8
107.08604	4.4
109.06511	0.6
110.09679	0.5
112.05093	0.8
114.09157	0.8
114.10284	2.3
115.08730	0.7
117.07010	0.7
124.11217	0.6
125.09576	0.4
126.06612	0.5
127.41673	0.3
131.12932	5.3
134.09631	2.4
135.08063	2.8
137.05980	0.6
145.20609	0.3
152.10701	4.2
153.09132	0.4
163.03902	2.9
170.11763	0.5
176.11769	3.0
189.52283	0.4
194.12894	13.5
195.11284	0.7
212.11925	0.7
212.13950	19.8
234.11075	0.4
241.24527	0.4
241.90556	0.4
251.13918	3.0
265.15790	0.4
265.20279	4.1
266.13867	1.6
266.18536	0.5
283.21292	100.0
295.97726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.206
Annotation	11-cis- and 12s-trans-fixed retinal
Peak:m/z	Relative Intensity
50.56861	0.5
55.05506	3.4
57.07083	0.8
60.18078	0.6
61.57904	0.5
67.05510	1.1
68.84300	0.6
69.07074	5.7
71.05000	0.9
79.05466	0.8
81.07043	2.9
83.08614	2.7
91.05479	0.8
93.07021	2.6
95.08614	7.8
96.14275	0.7
97.10148	1.4
105.07037	1.4
107.08595	1.5
109.10145	3.8
121.10104	1.4
123.11687	1.1
124.63393	0.6
131.08583	0.9
133.06528	0.8
133.10106	2.5
143.08633	0.9
145.06476	1.5
145.10161	0.6
147.08057	11.5
149.09576	1.0
149.13260	1.0
157.06467	3.6
159.08029	2.7
159.11700	0.7
161.09616	1.5
163.11145	2.7
169.10118	1.3
171.08032	2.5
173.09547	2.7
175.11162	3.3
177.12642	0.9
179.10674	1.0
183.11737	0.8
184.08809	0.8
185.09595	2.9
187.11154	5.9
189.12761	1.0
195.11700	0.8
199.11188	11.9
201.12759	4.0
209.13286	1.1
212.12064	1.0
213.12758	5.5
223.14828	1.0
225.12724	4.2
227.14357	6.8
240.15054	7.9
241.15834	5.4
253.15894	14.8
255.17424	11.6
265.19482	3.7
268.18188	21.8
268.20798	1.2
283.06348	0.9
283.09824	3.2
283.14099	5.2
283.17197	4.2
283.20557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
55.05500	2.9
56.78315	0.6
57.07075	1.6
67.05499	4.1
69.07072	5.1
79.05499	4.0
81.07058	10.8
83.05001	1.1
83.08626	1.7
91.05443	1.3
93.07064	5.0
95.08610	12.8
97.10161	1.3
103.37177	0.6
105.07036	5.5
107.04972	1.1
107.08624	8.3
109.06534	0.7
109.10163	9.8
111.07921	0.7
119.08595	8.4
121.06493	1.2
121.10178	8.5
123.08059	3.4
123.11713	7.0
129.06979	0.9
131.08560	4.0
133.10143	10.6
135.08084	1.1
135.11690	4.5
143.08533	3.5
145.10167	5.6
147.11703	6.3
149.09654	0.9
149.13281	1.2
155.08525	1.3
157.10120	7.0
159.08087	1.3
159.11696	9.9
161.09641	3.5
161.13216	3.2
169.10112	3.0
171.08040	1.5
171.11688	4.6
173.09592	3.7
173.13239	5.1
175.11180	3.7
175.14838	2.5
183.11671	2.8
185.09642	1.6
185.13249	7.4
186.14098	0.8
187.11182	3.9
187.14822	1.5
189.12669	1.5
195.11693	4.0
197.13315	1.7
199.11246	4.1
199.14784	8.5
201.12729	1.0
201.16278	0.8
201.60941	0.7
209.13277	5.6
210.14130	0.7
213.12804	5.5
213.16417	2.9
213.58850	0.7
215.14389	0.9
223.14882	3.0
225.16463	1.6
227.14363	5.5
227.17873	1.1
239.18033	1.1
241.15860	1.7
241.19350	1.0
255.18427	1.0
255.21027	9.0
265.19650	6.9
283.20569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97938	1.2
55.05524	2.7
56.45993	1.4
57.07064	1.8
57.13338	1.2
58.16771	1.2
61.00646	1.1
62.96005	1.4
63.96455	1.2
67.05502	2.2
69.07049	1.8
71.08604	1.7
72.82472	1.2
73.81786	1.3
75.19238	1.3
81.07056	3.3
83.08587	1.4
92.18362	1.9
95.08614	12.9
109.10141	3.3
116.41006	1.2
119.08552	1.6
129.06989	1.6
133.06531	14.0
143.08597	1.6
147.08038	18.3
147.11702	1.8
149.09618	2.7
155.08574	1.7
157.06482	2.3
159.08022	7.8
163.11176	7.5
166.31372	1.5
169.10152	2.2
171.08060	17.8
173.09634	1.8
175.11172	33.8
179.82307	1.4
181.10063	1.8
185.09587	15.1
187.11302	1.4
189.12770	43.1
198.10477	2.3
199.11198	16.3
201.12772	6.2
213.12756	100.0
215.14265	1.7
225.12651	2.7
227.14326	51.3
240.11421	2.3
240.15135	6.3
241.12248	3.0
241.13255	1.8
241.15884	45.1
265.19424	2.2
283.17355	3.8
283.20569	98.9
283.28210	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	283.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.9
55.44724	1.0
60.66666	1.0
64.56104	0.9
67.05486	6.1
69.07066	4.2
81.07053	9.3
83.08606	2.0
88.36698	1.0
92.17907	1.5
93.07048	1.4
95.08608	44.7
97.10165	6.9
107.04923	1.1
107.08614	1.4
109.10168	19.4
121.10110	1.1
121.75534	1.0
131.04918	1.3
131.08540	1.5
133.06490	4.3
135.08087	1.5
135.11740	1.1
145.06474	12.1
147.08031	5.6
149.09657	4.5
157.06479	39.8
159.08069	22.8
163.11200	1.3
171.08058	15.8
173.09607	2.3
175.11183	15.5
184.08929	4.8
185.09605	14.3
187.11163	20.8
189.12759	9.9
197.09534	1.1
199.11182	100.0
201.12753	13.6
213.12747	18.5
223.07610	1.3
225.12773	1.4
227.14310	13.9
228.35638	1.1
237.09303	1.5
240.15077	6.8
241.15858	47.3
251.15363	2.4
254.16888	1.6
265.21756	1.2
283.09760	4.5
283.20560	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19670	2.4
54.63841	2.6
55.05504	11.7
57.07091	3.3
67.05498	5.7
69.07088	6.0
73.25211	2.4
81.07049	6.5
83.08627	5.9
85.40681	2.8
93.07054	3.9
95.08597	30.8
96.23097	2.7
97.10152	3.8
109.10147	16.8
111.82276	2.8
117.63697	2.8
121.10170	4.5
121.94729	3.5
127.09735	3.4
133.06497	4.6
145.06447	5.4
157.06512	34.2
159.08060	16.4
171.08037	4.9
175.11159	5.3
185.09659	6.7
187.11247	13.2
199.11195	100.0
199.12921	5.7
201.12784	12.8
213.12769	18.9
223.07634	2.9
227.14372	6.8
241.15826	37.5
251.06807	3.6
251.15599	3.2
265.21344	3.1
283.09534	12.2
283.20526	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29229	1.0
55.05513	2.6
65.20196	1.3
67.05495	5.5
69.07051	2.7
79.05479	2.7
81.07043	6.1
83.08631	2.5
85.96773	1.5
86.81419	1.5
91.05508	2.0
93.07055	2.4
94.11543	1.4
95.08627	18.2
97.10156	3.0
107.08546	1.9
109.10162	14.3
121.10180	2.1
133.06487	6.7
145.06479	3.5
155.08492	1.4
155.72673	1.5
157.06497	63.4
157.10109	2.1
159.08070	5.3
167.08565	1.9
171.08055	16.8
173.09534	1.6
175.11177	3.5
184.08783	2.5
185.09602	13.7
187.11198	1.9
189.12679	2.0
197.09602	2.3
199.11189	100.0
213.12758	21.3
223.14836	1.8
225.12860	3.0
227.14262	10.6
240.15117	9.2
241.12134	5.5
241.13286	2.1
241.15854	52.9
251.15404	7.9
265.21826	1.8
280.63354	1.4
283.09854	2.4
283.20544	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	283.2058
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
50.22707	1.1
52.13693	1.0
55.01887	2.0
55.05505	9.0
57.03438	1.3
57.07086	2.6
65.81123	1.1
67.05511	22.8
67.88947	1.1
69.03440	2.5
69.07077	20.3
71.04996	13.1
71.08612	2.0
79.05473	9.1
81.07065	43.4
81.08047	1.3
83.04966	2.9
83.08636	10.2
83.09036	1.2
85.06532	2.6
85.10175	2.7
91.05493	12.1
92.18446	1.3
93.07046	32.2
95.04948	8.7
95.08620	38.3
97.06507	8.8
97.10139	6.2
105.06386	1.8
105.07034	29.7
107.08605	29.4
109.06528	9.3
109.10171	28.0
111.08052	2.1
113.09599	1.4
117.07007	8.7
119.08586	30.2
121.06499	2.9
121.10144	75.5
121.29941	1.3
123.08030	6.3
123.11731	9.4
125.09657	1.9
129.06982	1.7
130.07774	2.7
131.08572	29.8
133.10143	28.2
135.08034	9.6
135.11716	13.7
137.09584	2.0
137.13246	1.8
142.07710	1.5
143.08559	12.5
145.09019	2.2
145.10133	44.7
147.08035	2.0
147.11684	6.9
149.09592	2.0
149.13261	6.0
151.11169	2.4
155.08530	4.6
156.09402	1.3
157.10159	16.8
157.62547	1.3
158.10919	9.4
159.08018	2.9
159.11699	16.3
161.09622	26.2
161.13225	2.8
163.11177	2.7
163.14763	1.9
167.08539	1.8
169.10118	3.2
169.12173	7.9
171.11717	14.0
173.09637	1.7
173.13263	52.3
175.11093	5.0
175.14819	7.0
181.10144	2.6
182.10895	2.1
183.11685	7.7
185.13237	5.8
187.11198	2.0
187.14798	5.3
191.14333	1.4
194.10925	2.6
195.11684	7.7
197.13216	5.4
199.14790	5.4
201.16409	2.6
203.14345	1.5
208.12366	2.0
209.13309	12.4
210.13998	1.5
211.14758	1.7
213.12663	3.0
223.14803	9.1
225.16447	1.7
227.14226	5.7
239.17987	1.9
255.21069	8.3
265.19266	21.4
265.22156	10.1
283.09875	1.5
283.20526	100.0
283.26218	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	283.1907
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
55.01878	8.3
55.05524	21.5
57.03442	2.0
65.75687	1.9
67.05521	15.0
69.07076	36.7
71.04993	2.5
71.08640	46.7
73.06557	4.2
76.71462	2.0
79.05516	30.2
81.03429	33.6
81.07070	20.9
83.04988	7.7
83.08626	38.7
85.02903	2.5
91.05477	22.2
93.07039	33.1
95.08618	17.3
97.02859	3.1
97.06546	10.0
99.08109	31.6
105.07048	4.2
107.04971	3.5
107.08609	69.6
109.10179	5.0
111.04456	10.9
111.08098	17.6
117.07002	15.1
119.08603	14.6
121.06514	7.7
121.10152	20.1
123.08089	3.7
125.06011	23.6
125.09656	26.6
131.08562	19.2
133.10153	2.2
135.08080	3.3
135.11688	4.0
137.09639	16.6
139.11197	4.4
143.07033	9.8
145.10170	13.0
147.08086	2.9
147.11658	3.2
149.09631	18.3
151.11235	2.5
153.09126	39.0
159.11775	3.1
165.09155	22.6
167.10654	11.6
167.15855	2.1
177.09259	2.4
181.08659	4.7
183.10435	2.4
191.18013	8.1
201.16457	15.1
203.17978	3.5
219.17406	35.1
221.19086	4.5
225.82626	2.8
229.15956	2.3
247.16901	38.4
265.17993	100.0
283.19177	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	283.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75826	0.5
60.05660	0.6
71.11218	0.6
72.08150	2.4
85.57980	0.7
86.51463	0.7
87.04501	2.9
89.06036	100.0
110.14883	0.8
114.10299	0.7
133.08601	37.5
137.05951	0.8
177.11244	11.1
195.12299	3.2
223.10805	6.7
239.14882	1.3
251.80501	0.7
283.17542	20.4
283.25012	3.0
299.17383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42935	0.5
53.38017	0.5
57.34332	0.6
59.97052	0.5
68.25858	0.5
72.08159	2.5
73.06542	0.8
79.05508	0.8
81.07076	1.2
84.04505	0.6
87.04512	0.9
89.06035	100.0
94.97852	0.6
95.64849	0.6
105.07050	1.3
107.08610	0.6
114.10262	1.0
133.06509	1.0
133.08611	41.3
137.05914	1.3
137.10759	3.8
138.11496	1.1
151.07507	0.7
151.12218	0.7
153.10176	1.5
165.10193	0.9
177.11223	11.4
195.12518	0.9
221.13689	0.9
223.10756	25.7
239.14888	2.7
282.98410	0.7
283.13016	2.2
283.17545	18.4
283.24979	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	283.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42935	0.5
53.38017	0.5
57.34332	0.6
59.97052	0.5
68.25858	0.5
72.08159	2.5
73.06542	0.8
79.05508	0.8
81.07076	1.2
84.04505	0.6
87.04512	0.9
89.06035	100.0
94.97852	0.6
95.64849	0.6
105.07050	1.3
107.08610	0.6
114.10262	1.0
133.06509	1.0
133.08611	41.3
137.05914	1.3
137.10759	3.8
138.11496	1.1
151.07507	0.7
151.12218	0.7
153.10176	1.5
165.10193	0.9
177.11223	11.4
195.12518	0.9
221.13689	0.9
223.10756	25.7
239.14888	2.7
282.98410	0.7
283.13016	2.2
283.17545	18.4
283.24979	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	283.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22686	0.3
51.85334	0.3
55.01876	0.4
55.05516	0.9
60.05652	0.3
68.59994	0.3
70.06586	0.9
72.04512	0.4
72.08160	75.0
84.04517	2.6
87.69413	0.4
88.35775	0.4
89.10796	9.2
91.05474	0.6
95.04955	0.4
98.06046	0.7
102.86032	0.3
103.15095	0.3
107.05026	0.3
114.09167	13.4
115.08668	0.5
123.04417	2.1
130.05031	0.6
137.05984	0.6
153.05467	100.0
156.28226	0.4
156.62564	0.4
163.03891	0.8
165.09073	0.6
167.07050	0.7
195.06557	4.7
265.10684	0.9
266.13864	42.9
283.16519	84.6
295.66290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
64.25065	0.7
70.06586	4.4
72.04487	0.9
72.08159	100.0
79.05497	1.4
84.08157	6.4
89.10789	9.9
91.76052	0.8
96.08190	0.7
98.06065	11.2
107.04957	5.2
114.09168	9.8
115.08687	4.9
117.03425	0.8
121.02715	0.9
121.06404	0.9
125.02357	3.2
135.04422	9.3
137.05989	4.0
145.02863	19.5
149.05980	12.5
151.07613	7.7
152.07054	3.2
153.01826	7.3
159.08086	1.0
163.07535	1.2
166.08578	1.1
167.07030	27.7
177.05470	98.9
178.08624	4.3
183.87633	0.8
191.94312	0.8
194.08057	1.0
195.02829	1.8
206.08121	5.1
206.11667	5.8
213.03992	1.9
220.13309	23.2
236.12848	2.8
237.15996	4.2
248.09155	1.8
248.12791	14.0
265.15469	50.6
266.10254	12.6
266.13889	38.8
283.12915	14.6
283.16544	69.2
283.21506	2.6
304.55145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
57.42361	0.5
70.06590	2.4
70.44143	0.6
72.04514	3.5
72.08157	36.5
73.82925	0.5
84.04514	0.6
87.71903	0.7
89.10791	15.5
90.55606	0.6
98.06055	18.0
114.09168	20.7
115.08692	18.2
117.03353	0.7
123.04419	0.9
135.04425	0.9
138.05473	5.7
145.02855	3.3
148.85390	0.6
163.03894	73.1
166.98575	0.6
188.89304	0.6
192.10185	14.5
234.11290	10.6
251.13892	100.0
283.16437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.8
70.06601	3.7
72.08159	57.4
73.06562	9.9
79.05492	1.1
80.65865	0.6
83.12703	0.6
84.08132	0.6
89.10783	1.0
90.61329	0.4
96.08125	2.3
98.06065	8.7
105.06951	0.6
107.04938	3.3
121.02876	1.9
123.07966	0.8
130.08595	2.0
131.04938	0.7
133.06497	0.7
135.04416	3.1
136.05214	0.6
136.06212	0.8
137.05981	11.6
149.06004	4.2
151.07550	8.2
163.07552	4.1
164.07005	2.4
165.05478	0.5
167.07022	12.8
177.05487	10.0
178.08612	0.9
179.06995	2.2
182.22328	0.6
188.10724	1.0
191.10669	1.0
194.01598	0.9
194.08211	0.8
195.06554	0.6
206.08119	4.4
220.13356	10.9
233.10468	0.8
248.12788	5.7
265.10736	2.8
266.13870	63.8
283.16516	100.0
289.36996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1544
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.58937	0.8
54.66850	0.9
55.01863	1.6
55.05508	4.6
57.03181	1.1
57.03441	9.6
57.07073	1.0
67.05516	10.0
68.25632	0.9
69.07050	5.2
71.04974	1.3
71.92217	0.9
72.08146	1.8
79.05496	13.9
81.06664	1.2
81.07059	17.6
83.04962	1.7
83.08643	7.7
91.05456	6.1
92.17844	1.2
93.07047	32.8
95.04945	5.0
95.08600	32.5
97.02874	1.7
97.06496	2.3
99.04446	4.2
105.07014	2.3
107.04962	8.6
107.08601	26.9
107.27535	1.0
109.10128	1.7
111.04392	1.1
117.07005	8.4
119.08599	7.9
121.06456	5.6
121.10144	17.5
125.06004	3.7
133.10078	2.3
135.08043	2.1
135.11690	62.3
136.07436	1.1
139.07509	1.2
145.09042	1.3
145.10132	37.0
153.12744	1.3
159.11623	1.6
163.11176	58.7
173.09604	1.6
181.12227	10.2
191.10582	1.0
194.94072	1.1
201.75311	1.1
209.11705	2.1
223.07472	1.7
227.12772	100.0
255.21111	1.3
279.51648	1.1
283.09546	2.4
283.15369	55.1
283.20322	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	283.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
55.05512	4.6
57.03445	12.2
57.07079	0.8
58.95302	0.7
60.05648	1.7
67.05511	11.7
69.03402	0.8
69.07077	6.3
70.06582	3.9
71.04993	4.9
71.06932	1.6
72.08149	1.8
73.02915	0.8
79.05499	19.3
79.27232	0.7
81.03413	1.3
81.07064	20.8
83.04978	3.3
83.08621	9.8
85.06517	1.0
86.09711	0.8
91.05466	6.0
93.06467	1.3
93.07047	36.0
94.07345	2.0
95.04971	6.8
95.08609	40.9
95.10330	0.8
96.08931	1.7
97.02898	1.6
97.06541	4.7
97.10139	0.8
99.04451	5.5
102.76614	0.8
103.05519	1.0
105.07029	7.4
107.04961	8.7
107.08601	33.8
108.08934	3.7
109.06522	1.1
109.10139	4.9
111.04449	1.2
113.06013	1.2
117.07025	9.0
119.08575	13.1
121.06506	6.2
121.10140	14.6
123.08073	1.2
125.05955	2.0
130.09787	9.3
131.04974	1.0
131.08565	1.2
131.10107	4.7
133.10115	6.9
135.08066	3.3
135.11696	72.2
139.07544	1.7
143.08537	1.1
145.10123	38.2
153.12781	1.7
163.11177	79.9
173.09520	1.6
181.12230	11.0
185.13145	1.2
197.13379	1.2
209.11707	2.1
227.12769	100.0
242.68620	0.8
255.15236	1.0
283.10010	1.7
283.15408	56.3
283.22321	26.4
283.25281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1518
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
55.01896	0.7
55.05510	3.3
55.97296	0.5
57.03429	0.6
57.07071	0.4
61.53136	0.5
67.05518	5.1
67.69461	0.5
69.07082	4.1
71.04991	2.4
72.08168	0.8
79.05501	3.6
81.07066	8.9
83.04988	3.5
83.08622	3.6
85.06538	1.3
91.05476	0.9
93.07044	7.9
95.04951	0.9
95.08616	11.4
97.01150	0.6
97.06517	0.8
97.10155	0.7
99.04470	0.7
105.07049	2.6
107.04942	1.3
107.08588	8.0
109.10172	5.7
111.11691	0.7
117.06998	1.2
119.08595	3.8
121.06497	1.0
121.10155	5.5
123.11700	1.0
131.08589	1.1
132.94539	0.5
133.10097	2.0
135.08148	0.7
135.11697	11.0
137.06033	0.6
137.13266	0.8
143.08583	0.9
144.08153	0.9
145.10101	6.2
149.13219	0.5
157.10165	0.9
159.11638	0.7
163.11180	12.1
168.07938	0.8
181.12244	2.3
182.09676	3.2
183.11772	0.9
183.50700	0.6
196.09923	1.1
197.10681	4.2
199.14824	0.6
202.33043	0.6
209.11696	0.7
210.11545	2.8
211.12309	51.7
213.13976	0.6
213.57076	0.6
219.01823	0.7
220.06335	0.6
223.14796	0.8
225.13910	0.8
227.12764	14.6
233.11493	1.1
265.14304	0.8
265.19754	0.9
265.25424	1.1
283.09970	3.0
283.15213	100.0
283.18045	14.1
283.20587	3.8
283.26334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0971
Annotation	Cryptocaryone
Peak:m/z	Relative Intensity
55.01882	5.6
56.96576	4.5
64.99306	4.3
68.98913	4.0
69.07074	7.7
70.06581	9.6
72.08167	8.6
73.81359	4.0
75.09206	5.5
79.05488	7.8
80.95116	3.9
81.07053	9.9
82.20600	4.6
83.08635	6.8
83.44405	4.3
84.08171	4.3
91.05479	31.3
92.18421	6.6
93.07042	11.1
95.04950	5.2
95.08611	10.8
97.06551	4.4
105.07050	6.7
107.04945	42.7
115.05489	8.1
117.07058	6.6
119.04932	76.4
119.08627	5.7
120.05730	9.9
121.02897	4.7
123.04457	8.3
131.04942	18.8
131.08597	5.3
133.06522	5.5
133.10161	6.7
135.11684	7.0
135.71022	4.8
143.04918	10.9
144.08125	10.8
145.06473	18.0
145.10104	18.0
161.05942	5.9
163.11217	8.2
170.09659	18.5
171.04385	29.1
175.11159	5.7
181.06473	5.0
183.12009	4.8
185.09572	5.1
191.08571	19.8
194.07320	11.5
195.08110	20.2
195.11665	4.8
199.11372	4.7
209.09633	27.5
212.17357	4.3
213.09102	7.8
219.07985	69.9
222.06906	5.3
223.07536	10.2
226.07401	8.6
229.07701	5.1
229.10294	4.9
237.09090	96.0
241.08530	60.2
242.06190	5.6
247.07431	39.0
265.08539	100.0
265.19531	5.6
277.84482	6.3
283.09680	65.6
283.15366	31.7
283.20413	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27864	78.2
76.27439	72.2
91.90626	89.8
150.07693	100.0
165.91077	77.6
220.27751	93.5
283.02103	91.7
288.38763	82.2
295.22357	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0968
Annotation	Matteuorien
Peak:m/z	Relative Intensity
53.03154	0.4
54.83548	0.5
55.01886	9.9
56.64163	0.4
62.93917	0.4
67.15704	0.4
80.70721	0.4
80.90358	0.4
88.33968	0.5
91.05500	3.5
92.38096	0.4
95.04960	2.1
106.32584	0.4
107.04967	11.3
115.05451	9.8
117.06989	1.0
119.04930	5.9
120.05716	15.0
121.02863	5.8
123.04416	3.2
131.04907	1.9
131.08551	0.9
133.06456	0.7
143.04933	17.6
143.06036	0.7
144.05696	10.7
145.06474	4.2
147.04379	0.8
159.04391	0.8
161.05998	3.7
165.07013	1.0
166.07709	1.8
167.08545	1.1
168.44106	0.5
171.04379	25.3
171.05502	1.7
181.06528	4.2
181.10118	3.2
189.05386	1.0
189.06969	1.0
190.07736	3.2
191.06880	0.9
191.08566	22.7
191.10294	1.0
194.07310	6.6
195.08087	5.1
201.07037	2.8
202.07805	0.9
205.06386	0.7
207.08061	0.9
208.08847	0.7
209.09599	12.0
218.07243	4.9
219.08046	53.2
220.08801	2.8
222.06779	2.3
223.07533	7.9
229.07629	6.3
235.07521	1.1
236.08406	0.9
237.09087	43.3
241.08784	1.0
247.07504	45.9
250.06291	3.1
251.06932	0.5
251.10724	0.8
255.10083	0.6
265.08585	100.0
268.07193	1.7
283.09650	21.2
283.13211	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	282.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41904	1.3
55.05522	14.5
57.07090	18.2
58.12303	1.6
67.05498	8.1
69.06765	2.2
69.07078	38.5
71.08627	12.1
72.04504	2.0
77.79193	1.7
79.05514	2.4
81.07063	14.0
83.08627	34.1
85.10175	3.4
86.06047	7.0
93.07027	9.6
95.08601	12.8
96.70466	1.8
97.06505	9.3
97.10177	30.1
100.07603	12.2
107.08591	3.9
109.10140	12.1
111.08070	9.2
111.11701	11.6
114.09172	9.2
121.10133	12.1
123.11692	3.6
125.09656	2.9
125.13284	2.6
128.10728	4.2
135.11732	12.2
139.11128	1.9
145.96696	3.5
149.13251	8.2
153.12788	2.4
163.14839	2.7
163.97723	2.5
177.16408	1.9
188.49565	2.2
191.17844	1.9
240.26706	1.9
247.24153	14.4
265.25232	19.9
282.27914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2793
Annotation	Oleamide
Peak:m/z	Relative Intensity
51.90099	1.3
55.05510	9.7
57.07088	26.1
59.01997	1.5
59.56213	1.4
59.61786	1.4
60.92187	1.5
67.05508	7.4
69.07074	44.3
71.08637	12.7
71.64224	1.4
72.08160	2.0
72.49110	1.4
81.07066	18.7
83.05004	1.8
83.08627	37.1
85.10170	6.8
86.06068	3.3
93.07030	7.5
93.77513	1.6
95.08619	15.3
97.06522	9.9
97.10181	26.1
100.07597	9.6
107.08582	7.7
109.10160	10.8
111.08059	7.6
111.11709	9.9
114.09157	8.2
121.10139	11.6
123.11700	2.4
125.09624	3.7
128.10728	3.9
135.11713	12.5
137.13290	2.0
139.11118	1.8
149.13237	3.6
163.14847	1.9
177.16438	2.2
247.24252	12.2
265.25180	17.5
282.27924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05248	0.2
65.90884	0.2
69.03407	0.3
70.06599	1.5
71.08636	9.6
72.08170	0.4
74.29828	0.2
78.92249	0.2
86.09703	0.3
87.04473	0.2
87.06840	0.2
88.11272	100.0
89.06062	1.6
98.06036	0.3
109.45283	0.2
116.07099	0.3
120.06602	0.3
133.08615	0.3
136.06192	22.8
137.06648	2.5
140.40904	0.2
158.88931	0.2
162.04094	1.3
163.04517	1.7
195.12526	3.2
201.95595	0.2
218.07091	0.3
282.12256	1.3
282.16760	0.3
282.19601	1.7
282.22543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82364	0.3
55.05515	0.5
57.80677	0.3
58.11182	0.3
59.71596	0.4
60.05667	3.9
67.05493	1.7
69.07061	3.0
70.06598	19.1
70.06985	0.8
71.05000	6.7
79.05511	3.3
81.07082	2.9
83.08622	0.4
85.06540	0.4
86.53997	0.3
88.07643	4.2
91.05478	1.8
93.07051	24.1
95.04943	0.6
95.08047	0.6
95.08611	10.5
97.06520	0.4
98.33456	0.4
98.68326	0.3
107.07881	0.6
107.08604	18.3
112.08017	0.6
112.08735	11.7
130.09770	57.0
135.11676	2.1
166.09982	0.4
190.77592	0.3
264.20715	3.0
282.21768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16529	0.3
60.05658	0.7
65.43661	0.4
67.05511	0.4
68.07541	0.3
68.98869	0.4
69.07086	0.4
70.06602	100.0
71.05003	1.7
72.87546	0.3
79.05510	1.4
81.07069	1.8
85.06569	2.0
85.92268	0.3
88.07624	0.3
89.12209	0.4
91.05491	0.6
93.07049	5.5
94.11024	0.3
95.08597	1.9
107.08614	5.3
108.23341	0.3
112.08735	0.8
123.97166	0.4
130.09770	10.2
135.11699	1.8
140.08156	0.5
177.13924	0.5
209.42862	0.3
264.16501	0.3
264.20734	6.5
274.22647	0.4
282.18326	2.4
282.21738	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	282.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
60.05665	5.3
65.25175	0.4
67.05488	2.4
69.07059	2.5
70.06602	27.5
71.05003	8.1
79.05523	4.5
81.07086	3.7
82.24203	0.5
83.08612	0.6
84.03497	0.4
85.06543	4.4
85.34730	0.5
88.07642	3.9
91.05505	3.2
92.18472	0.9
93.07050	27.1
95.04983	0.5
95.08614	13.0
107.08607	22.2
109.10139	0.8
112.08024	0.6
112.08738	12.1
120.32880	0.5
121.52266	0.5
130.09775	58.5
130.49715	0.4
135.11693	4.2
139.07512	0.5
264.20773	3.3
267.17807	0.6
269.94141	0.5
282.21768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
56.29638	0.2
56.73449	0.2
57.86641	0.2
60.05647	0.4
67.05515	0.5
67.08829	0.2
69.07073	0.5
70.06599	100.0
71.05003	1.4
76.88815	0.2
79.05507	0.5
80.16342	0.2
81.07059	2.3
83.05032	0.3
84.05640	1.4
85.06548	0.3
87.04478	0.3
91.05488	0.4
93.07050	5.6
95.04990	0.3
95.08631	1.7
98.06042	0.5
100.34509	0.3
107.08603	4.4
109.06512	0.4
109.10149	2.5
112.08739	1.0
116.07106	0.6
119.08617	1.0
130.09790	5.9
133.10196	0.3
135.11736	1.6
136.06261	0.5
137.09622	3.1
146.09271	3.9
153.12752	0.4
154.08673	0.6
181.08577	0.4
182.09030	0.2
236.14032	0.4
264.17160	1.7
264.20709	4.1
282.08533	0.4
282.15076	0.6
282.18259	16.9
282.21902	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	282.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08166	0.4
60.31929	0.4
72.08157	0.5
76.06636	0.3
76.42817	0.3
87.04470	41.8
137.05980	100.0
176.38222	0.4
223.09637	16.3
237.59335	0.3
282.16998	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
69.07076	3.8
70.06599	0.9
72.08170	1.9
73.02941	0.3
73.06561	0.3
84.08146	1.2
86.09705	1.2
88.04004	0.3
97.06528	2.8
98.06038	0.3
109.85081	0.2
119.03487	0.3
120.08068	0.6
129.09113	1.1
129.10205	0.4
130.08609	0.3
136.06192	100.0
150.07727	2.1
155.08218	0.3
181.27975	0.2
188.95059	0.3
193.01431	0.5
250.12981	29.2
282.15610	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1493
Annotation	Bharatamine
Peak:m/z	Relative Intensity
58.44381	0.3
62.04067	0.4
62.68899	0.3
74.68256	0.3
79.05497	7.2
93.07011	0.5
103.05478	41.2
105.07018	2.1
106.72031	0.3
107.04964	30.9
112.43511	0.4
118.06543	0.5
121.06488	0.9
127.97553	0.4
131.04932	34.3
134.09659	59.3
149.06026	2.7
185.53842	0.4
202.73245	0.4
267.83130	0.5
282.14890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73763	0.2
69.03431	1.8
70.06611	0.3
72.04521	0.4
72.08148	1.1
79.05479	0.4
82.87316	0.2
86.06075	62.8
86.09712	0.3
87.04474	14.0
91.05513	0.5
100.07620	1.8
103.03957	0.6
104.07117	22.4
104.10838	0.3
105.07041	27.0
117.07031	0.3
118.53017	0.3
119.04919	0.3
122.03648	1.0
124.27712	0.3
131.03435	0.6
134.09666	14.8
137.05991	100.0
151.07590	1.5
164.04713	1.1
179.07042	69.7
186.09064	0.3
222.08388	0.5
223.08667	3.4
282.13428	20.3
282.16272	0.9
282.18881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1337
Annotation	Mortivinacin C
Peak:m/z	Relative Intensity
53.73763	0.2
69.03431	1.8
70.06611	0.3
72.04521	0.4
72.08148	1.1
79.05479	0.4
82.87316	0.2
86.06075	62.8
86.09712	0.3
87.04474	14.0
91.05513	0.5
100.07620	1.8
103.03957	0.6
104.07117	22.4
104.10838	0.3
105.07041	27.0
117.07031	0.3
118.53017	0.3
119.04919	0.3
122.03648	1.0
124.27712	0.3
131.03435	0.6
134.09666	14.8
137.05991	100.0
151.07590	1.5
164.04713	1.1
179.07042	69.7
186.09064	0.3
222.08388	0.5
223.08667	3.4
282.13428	20.3
282.16272	0.9
282.18881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01693	0.3
68.05024	0.7
69.03419	1.4
70.06236	0.5
70.06597	12.7
72.08172	0.4
86.06068	2.9
87.04473	15.7
92.17861	0.3
98.06060	78.8
101.70765	0.3
108.27175	0.3
116.07094	100.0
120.08093	0.5
150.07745	8.7
197.53978	0.3
240.02182	0.4
241.55650	0.3
277.93933	0.4
282.13394	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	282.1338
Annotation	Mortivinacin C
Peak:m/z	Relative Intensity
55.66701	0.2
69.03438	1.6
74.02446	0.5
74.91691	0.3
84.64460	0.2
86.06070	62.2
87.04473	13.1
87.04874	0.3
88.04002	0.7
94.04198	0.4
104.07111	22.9
107.04996	0.3
121.06500	0.6
122.03654	0.4
134.04506	1.4
137.05983	100.0
151.07550	1.9
164.04659	0.5
177.05475	0.4
178.05745	0.3
179.07027	67.3
194.05313	0.5
200.98692	0.3
282.13315	12.1
282.16183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0836
Annotation	9-Riburonosyladenine
Peak:m/z	Relative Intensity
53.69775	0.2
57.32093	0.2
63.90630	0.2
73.02940	0.4
79.30708	0.3
101.02375	1.2
111.00840	0.3
111.95735	0.3
118.96126	0.3
136.06192	100.0
150.29393	0.3
152.05669	3.7
161.00603	0.3
177.07867	1.7
178.00812	0.5
190.06523	0.3
193.03195	9.8
196.69200	0.3
282.08328	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	282.0488
Annotation	64359-81-5
Peak:m/z	Relative Intensity
53.81130	1.7
54.11999	2.0
55.43651	2.0
56.85374	2.0
56.93976	1.7
58.04066	2.1
58.64139	1.8
60.40318	1.8
73.02880	4.3
75.25087	2.1
85.02901	5.0
88.43944	2.4
109.16954	2.2
116.11189	2.4
137.42807	2.1
143.01903	5.2
150.06584	4.4
150.07762	100.0
150.21259	2.0
153.04004	2.1
183.05005	13.9
192.05563	12.0
198.77296	2.1
203.03975	2.6
282.04907	71.2
282.07947	5.0
282.12051	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	281.2478
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
55.01879	13.9
55.05513	23.3
57.07075	4.9
63.59387	4.4
67.05508	29.7
69.07061	27.5
71.08646	5.8
71.94515	5.3
72.98104	5.3
79.05511	18.9
81.07062	39.0
81.98325	5.9
83.08626	11.9
85.06543	12.9
91.05474	6.3
95.04971	7.0
95.08622	50.3
97.06525	6.1
97.10158	7.4
106.22845	5.6
107.28909	5.1
109.06499	6.6
109.10173	11.6
111.08087	66.7
125.09660	6.9
125.49776	6.1
133.10172	7.5
133.68884	6.3
137.26617	6.6
197.09642	38.4
211.11151	10.6
225.12711	7.6
234.92270	11.2
239.14352	7.5
281.18848	41.4
281.24683	100.0
292.32401	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	281.2113
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
55.05518	9.3
55.11475	1.5
57.03452	1.8
57.07073	2.2
67.05515	12.8
69.03429	2.8
69.07053	8.1
71.08637	100.0
79.05486	9.6
81.03423	3.2
81.07084	14.1
83.04987	4.0
83.08627	8.7
85.10209	2.3
85.27821	1.6
86.93185	1.8
91.05488	16.6
93.07043	11.3
95.04983	3.9
95.08616	35.1
95.30256	2.0
97.06551	3.5
97.10168	1.6
99.08099	65.8
105.07034	7.3
107.04957	18.1
107.08589	7.6
109.10170	7.8
110.72929	1.8
117.07079	2.5
119.08536	3.0
121.10141	4.3
123.08062	7.5
129.06972	2.2
133.10115	2.7
137.09637	3.9
145.10091	2.1
147.11696	14.5
149.09595	3.8
151.11194	20.6
153.12772	1.9
159.09923	1.9
161.13268	2.0
161.16087	1.7
163.11159	15.1
165.12724	35.4
171.11736	1.8
175.11229	9.5
187.93947	1.9
192.91124	2.8
234.92244	7.4
239.14427	2.7
245.19009	7.2
249.18492	2.0
263.20074	30.6
281.18683	4.2
281.21271	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	281.2113
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
50.49992	1.2
55.01884	46.8
55.05524	24.0
57.07094	1.5
58.00493	1.1
62.56335	1.3
67.05512	21.4
69.03427	8.6
69.07083	11.9
71.05006	2.3
71.08643	13.5
74.71789	1.2
79.05496	14.1
79.84438	1.7
81.03429	14.7
81.07067	25.4
83.04987	9.0
83.08636	34.5
85.02924	2.2
85.06561	5.0
85.10165	2.2
91.05477	20.2
93.07032	19.6
95.04972	8.0
95.08614	35.5
97.06534	21.5
98.67410	1.3
99.08094	11.8
104.84833	1.4
105.07031	12.3
107.04931	3.2
107.08604	13.3
109.06524	6.3
109.10158	9.4
111.07320	3.4
111.08089	100.0
117.07021	1.4
117.26958	1.7
119.08578	16.5
121.10147	8.2
123.08065	5.7
123.11716	2.0
125.09653	2.3
129.07018	2.2
131.08525	3.3
133.10161	21.6
135.08031	3.1
135.11699	17.6
137.09627	18.2
139.11172	10.6
143.08580	1.4
145.10202	3.1
147.08051	1.8
147.11641	9.8
149.09624	10.0
151.11171	25.6
153.12790	2.6
161.09601	3.3
161.13203	2.9
163.11217	1.8
165.12766	30.0
171.11745	2.4
179.10658	1.9
179.14363	3.2
181.12273	5.8
217.19569	2.4
227.17865	5.3
234.92094	3.2
235.20915	1.7
239.14378	1.9
245.16891	1.4
245.19057	14.0
263.20059	82.2
281.21164	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2115
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
55.01878	4.0
55.05518	20.0
57.03418	2.4
57.07069	8.1
61.26492	1.8
67.05235	2.6
67.05523	39.8
68.98527	1.8
69.07081	26.0
71.08641	45.5
79.05502	22.2
81.03413	2.2
81.07063	31.0
83.04987	5.0
83.08628	47.3
85.06540	4.0
85.10197	3.3
91.05479	16.0
93.07049	24.2
95.04943	2.7
95.08608	26.9
97.06549	9.3
99.08105	27.6
105.07059	15.6
107.08621	16.0
109.10197	17.2
111.08085	12.0
113.09646	3.3
119.08590	14.4
121.06519	2.5
121.10148	15.4
125.06042	2.1
125.09651	3.1
127.11145	2.4
131.08562	8.5
133.10121	15.7
135.11699	4.5
137.09612	2.7
141.12764	3.8
143.07126	2.7
147.11708	9.6
149.09625	19.2
151.11201	14.0
161.13310	3.1
165.12769	12.2
169.12273	4.9
174.41232	1.8
175.09645	3.5
198.43286	2.1
210.17293	2.5
217.19537	4.5
227.17941	2.2
235.20573	4.4
245.19016	3.7
263.20050	53.8
263.22598	3.3
281.21140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2113
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
53.06046	4.8
54.27943	5.0
55.01876	4.7
55.05516	35.4
57.07079	11.6
67.05512	53.9
69.07057	29.8
71.08643	71.1
73.59271	5.7
79.05485	26.8
81.03419	9.4
81.07079	54.6
81.07468	7.1
83.04979	7.4
83.08611	50.6
85.06562	5.8
85.10172	7.7
90.84740	6.2
91.05476	47.3
93.07051	31.2
95.04956	12.3
95.08617	41.9
97.06538	13.0
99.08096	50.6
101.43952	5.2
105.07066	23.6
107.05006	9.0
107.08605	29.6
109.06506	8.4
109.10166	27.4
111.08063	23.4
119.08589	11.0
121.10145	12.6
123.08087	9.4
123.67268	6.0
126.37117	6.3
131.08513	10.3
133.10132	36.8
135.11736	12.1
137.05968	6.3
138.10109	6.5
145.10117	8.4
146.66496	6.1
147.11678	35.4
149.09627	24.6
151.11172	62.6
161.09686	7.7
161.13243	21.3
163.11183	6.5
165.12709	32.3
171.11751	6.0
175.09639	11.3
177.08836	5.7
178.10915	5.3
179.62938	5.5
204.28635	5.5
222.08484	23.2
227.17990	8.1
234.92130	11.0
235.20604	6.4
239.14378	6.3
245.19017	21.1
263.20056	100.0
281.21249	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2107
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
50.71193	4.0
52.41529	4.6
53.67836	3.6
55.05518	6.5
56.38475	4.2
65.34610	4.5
67.05513	8.3
68.40743	5.2
69.03413	5.4
69.07078	5.5
69.12180	3.8
81.03442	6.9
81.07055	18.8
83.04964	5.6
83.08640	17.0
85.10162	22.8
91.05468	8.2
92.17789	6.8
93.07018	7.4
95.04980	5.5
95.08597	19.8
105.07027	5.7
107.08599	25.8
110.73100	4.8
113.09668	9.0
114.39073	5.0
119.08607	9.4
119.79952	4.3
120.68729	4.3
133.10120	6.2
135.08040	24.1
147.11688	8.3
151.11197	10.4
165.12769	45.9
192.91296	5.3
216.91075	7.1
234.92191	32.4
263.19995	37.1
281.18909	9.7
281.21259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2113
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
53.78668	2.6
55.01867	7.7
55.05529	29.8
56.82774	3.0
57.07090	7.0
63.75443	3.3
67.05494	20.7
69.07071	14.4
69.75496	3.2
71.04985	8.4
79.05492	29.9
81.07076	36.7
83.04971	22.7
83.08627	32.9
85.02902	22.1
86.61416	3.3
91.05444	6.9
92.17870	4.0
93.07057	34.2
95.08619	28.6
96.92764	3.8
97.06525	5.3
98.98454	15.4
99.04445	17.3
101.02370	15.3
101.17083	3.3
105.06998	11.8
107.08591	18.6
109.51500	3.8
111.04447	100.0
118.00809	3.7
119.08566	19.7
121.06509	6.6
121.10139	98.9
123.08058	8.0
125.06062	4.0
133.10143	5.4
135.11707	16.5
137.09651	5.7
139.02538	3.5
145.10141	8.2
153.12761	8.1
163.11185	31.3
169.02550	6.2
181.12164	30.7
192.44588	3.7
192.91043	4.4
201.03040	3.9
222.08318	7.0
234.92125	16.5
243.36234	4.0
245.19092	5.0
263.20078	33.2
281.21152	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	281.2113
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
55.01874	8.7
55.05523	49.9
59.93893	1.1
67.05511	24.3
69.03418	1.1
69.07076	11.1
79.05492	9.7
81.03423	6.5
81.07070	14.9
83.04976	1.8
83.08624	100.0
85.06554	1.7
91.05470	19.1
93.07046	20.2
95.04970	6.3
95.08607	15.7
97.06526	2.4
104.60364	1.0
105.07051	10.4
107.08617	13.1
109.06490	2.6
109.10154	7.7
111.08096	19.9
117.07037	1.9
119.08598	16.1
121.10158	6.3
123.08020	1.4
125.09580	1.5
129.09108	2.7
131.08575	2.0
133.10138	33.0
135.08043	2.2
135.11697	37.2
137.09641	13.6
139.11205	7.4
143.08556	2.0
145.10210	1.5
147.11708	2.6
149.13184	1.3
151.11188	14.8
153.12740	6.8
161.09563	11.0
161.13213	1.7
163.11240	1.5
165.12808	9.0
171.11688	2.0
177.12726	1.3
179.10658	4.5
179.14384	2.1
216.91103	1.9
227.17964	1.7
231.43393	1.2
233.73051	1.2
239.61459	1.1
245.19000	6.7
255.18608	1.1
263.20065	51.2
272.96243	1.2
281.18857	1.2
281.21210	17.3
301.59631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2114
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
50.98192	1.9
55.01892	17.4
55.05524	73.5
57.03437	9.1
57.07079	2.4
67.05511	51.5
69.03426	3.2
69.07078	36.8
71.05000	5.4
73.32420	2.1
79.05505	64.0
81.03432	42.3
81.06604	4.1
81.07066	100.0
83.05003	18.3
83.08636	36.1
85.02929	5.5
91.05483	21.4
91.06744	2.3
91.56308	2.2
92.18406	3.7
93.07051	36.2
95.04966	14.1
95.08617	53.1
97.06540	20.3
97.10184	45.9
99.04471	3.9
99.08098	4.0
100.67195	2.5
105.07050	23.2
107.08599	40.4
109.06535	11.3
109.10152	13.6
111.04456	24.2
111.08086	24.3
113.06035	2.8
117.45876	2.9
119.08597	32.5
121.06462	2.5
121.10151	36.6
123.04487	3.1
123.08081	84.1
125.09647	18.7
131.08524	3.2
133.10103	5.2
135.11656	19.0
137.09637	25.7
139.11182	10.5
140.33557	2.7
145.10146	4.1
147.11731	17.8
149.13333	3.0
153.12779	14.4
157.10146	3.3
163.11201	11.3
165.09142	9.3
165.12773	9.6
175.11256	3.4
181.12308	5.2
183.13786	5.1
193.12320	4.7
195.13945	3.3
245.19031	4.1
263.20114	43.2
273.18283	2.6
281.21164	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	281.2113
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
53.08786	1.2
53.47749	1.1
55.01884	11.0
55.05527	18.7
56.94823	1.0
57.03437	8.8
57.07075	2.1
57.52841	1.1
67.05517	33.9
69.03433	2.4
69.07069	14.6
71.04990	2.6
71.08627	21.3
79.05065	1.6
79.05503	24.7
81.03427	20.4
81.07069	38.3
83.04987	13.8
83.08631	19.2
85.02899	2.2
85.06542	2.5
91.05484	22.8
93.07051	28.5
95.04951	12.7
95.08615	100.0
95.41635	1.3
97.06535	17.8
99.04446	2.8
99.08115	11.1
101.02371	6.3
105.07045	22.8
107.04951	8.1
107.08602	25.1
109.06517	2.4
109.10155	7.6
111.04449	16.0
111.08046	1.8
117.07032	4.8
119.08609	11.9
121.06506	5.5
121.10135	5.9
123.08071	9.9
123.11699	6.0
125.09630	3.0
129.07011	6.4
131.08591	5.1
133.10138	21.7
135.11728	9.1
137.06030	2.0
137.09587	2.7
139.11174	1.9
143.08589	6.9
145.10114	9.7
145.38995	1.4
147.11685	9.3
149.09610	1.4
149.67552	1.5
151.11180	15.4
159.10187	5.4
161.09612	2.9
161.13243	6.7
163.11177	6.2
165.12762	2.3
167.10701	1.6
169.12216	6.8
171.11710	7.7
172.66481	1.4
179.10643	2.4
181.12262	20.1
183.13797	1.5
185.11734	2.6
189.12756	5.8
197.11757	5.4
217.19530	2.9
225.95007	1.2
234.92223	1.5
245.18993	8.6
257.75754	1.4
263.20096	42.9
281.17599	7.6
281.21185	46.9
281.24115	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	281.1903
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
65.92988	2.3
67.05515	11.3
69.07066	3.8
77.50871	2.7
79.05482	3.9
81.07060	10.7
87.52693	2.7
91.05495	2.7
92.85030	2.8
93.07063	6.1
94.66521	2.7
95.08613	26.1
105.07022	4.5
107.08620	12.5
111.08088	3.7
119.08602	3.6
133.06512	14.7
137.75418	2.6
157.06548	11.4
163.14684	2.9
173.09615	4.8
175.11203	4.3
179.08598	4.1
183.08078	18.4
187.11174	3.9
193.10191	3.3
195.08083	3.2
197.09636	53.5
199.11172	49.7
209.09471	3.1
211.11186	36.0
221.13446	3.6
223.11185	11.3
224.12117	3.1
225.12852	2.7
238.13531	17.6
239.14258	32.2
250.79332	2.8
253.15848	5.7
281.19025	100.0
281.22958	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1902
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
55.01875	1.0
55.05501	1.5
57.07053	2.0
67.05511	8.6
69.07061	2.2
71.08642	10.1
79.05482	5.3
81.03432	1.2
81.07050	7.0
83.04990	1.6
91.05455	4.9
93.07049	7.7
95.04966	2.3
95.08049	1.5
95.08613	26.3
97.06516	1.4
99.08068	6.3
105.07004	4.0
107.04952	1.6
107.08582	6.2
109.10126	3.9
111.08097	1.1
111.68153	1.1
113.09655	2.3
119.04910	1.3
119.08573	5.1
121.06503	1.5
121.10085	1.4
123.11729	1.4
125.09634	1.1
127.07485	1.2
133.06502	12.9
133.10106	2.1
135.11705	1.1
145.10057	2.5
147.08110	7.7
147.11703	2.2
149.09608	2.5
151.11203	2.1
157.10176	1.6
161.09607	20.0
163.11147	1.2
165.12738	4.8
167.10670	2.0
169.06450	1.1
171.08098	1.4
175.11169	8.0
181.10103	1.4
183.08063	6.4
187.11148	2.0
189.12761	14.3
193.10118	5.3
195.08093	1.3
197.09688	13.0
206.10959	2.5
209.09656	2.5
210.10368	7.3
211.11186	56.2
221.13286	9.8
223.11136	6.0
224.11925	8.9
225.12711	1.7
234.92168	4.1
237.12703	2.0
238.13622	7.6
239.14297	84.1
245.19052	1.9
249.13815	1.4
253.15887	11.2
263.20074	7.5
281.18970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00578	0.2
55.05534	0.5
56.05050	1.9
56.45736	0.3
58.29172	0.3
67.05526	0.7
69.03471	0.3
69.07063	0.6
69.08809	0.3
72.08157	0.3
79.05504	0.4
81.07088	1.8
85.06545	2.1
91.05502	0.4
93.07059	1.3
95.08624	1.4
96.04489	1.3
98.97617	0.7
105.07035	0.4
107.08586	1.2
108.04489	1.3
109.10165	0.6
110.02412	0.5
110.06039	1.2
119.08595	0.7
120.08126	0.4
121.10167	1.3
122.06011	4.4
123.08096	0.4
125.09652	0.4
133.10127	1.1
135.08101	0.3
135.11667	0.5
136.07603	2.2
137.06012	0.5
145.10138	0.3
147.11722	0.4
149.08388	2.0
149.09592	0.5
158.99612	0.5
161.09723	0.6
164.10686	0.4
175.11172	0.4
176.10580	0.3
178.12309	0.6
181.08595	1.5
188.10690	2.7
190.12233	2.5
191.10704	0.4
206.11736	4.2
208.13324	3.6
217.12364	0.4
218.09869	0.4
218.11676	2.3
226.14319	0.7
236.12842	14.6
238.14328	0.4
263.20074	1.1
264.15942	100.0
281.18613	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
55.01868	2.8
55.05526	24.4
57.03449	39.0
57.07084	2.3
65.03969	2.8
67.05512	77.1
69.07072	19.7
70.32154	2.0
71.04998	5.2
71.08667	3.5
79.05501	100.0
79.84734	2.5
81.03422	3.3
81.07067	63.8
83.04982	31.3
83.08628	15.0
91.05500	54.6
93.07053	78.8
95.04961	22.1
95.08619	46.3
97.06542	2.9
97.10158	5.8
105.07038	51.3
107.04961	10.2
107.08606	17.6
109.06544	8.7
109.10135	8.3
117.06988	10.8
119.08596	42.1
121.06477	3.0
121.10104	3.5
123.08060	5.7
129.07025	15.6
133.10127	16.1
135.11656	3.3
142.80675	2.6
143.08559	5.7
145.10133	14.9
147.11679	45.6
161.09645	9.6
161.13261	16.7
171.11697	32.9
179.13937	2.4
189.12764	14.0
192.91170	2.8
207.13838	19.9
222.08464	3.3
234.92146	10.9
263.20132	4.1
281.17392	86.2
291.12457	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	281.1749
Annotation	brefeldin A
Peak:m/z	Relative Intensity
51.67970	2.4
55.01872	18.0
55.05519	13.5
57.03436	3.1
60.95588	2.4
67.05512	34.4
67.09861	2.8
69.03442	3.3
69.07078	93.3
70.14961	2.7
70.44154	2.8
73.06565	14.1
79.05136	2.7
79.05507	38.3
81.03428	36.8
81.07070	100.0
82.91894	2.7
83.04974	6.8
83.08677	3.1
85.02920	3.7
91.05474	33.1
93.07050	41.0
95.04974	7.2
95.08600	41.1
97.06543	32.3
99.08107	7.2
105.07053	21.0
107.04972	4.7
107.08616	54.7
109.06538	18.8
109.10180	12.7
115.07558	4.8
117.07016	3.2
117.68291	3.2
119.08602	45.0
120.19353	3.1
121.10149	25.7
123.08070	63.0
125.06018	32.5
125.09647	36.5
129.06961	3.1
131.08556	15.0
133.10136	5.4
133.40863	3.0
133.79140	3.2
135.08070	6.8
135.11737	6.4
137.09625	33.9
139.11203	3.0
143.07033	41.3
143.08578	6.8
145.10132	12.0
147.08096	21.1
147.11668	5.1
149.09624	12.3
153.09116	40.6
157.10155	7.0
159.11623	3.6
161.08096	7.4
161.09546	5.2
163.11186	13.2
165.09125	52.1
173.13327	3.9
181.08571	13.6
189.12796	4.2
189.16397	3.7
197.09569	5.7
199.14859	17.7
217.15833	22.6
234.92178	4.1
239.14394	14.6
245.15359	56.6
263.16400	64.3
266.84415	3.0
281.17136	41.4
282.63715	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	281.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10814	0.1
52.71185	0.1
57.73205	0.1
67.23713	0.1
70.06621	0.1
72.08162	19.2
77.04857	0.1
79.75536	0.2
85.73429	0.1
89.10798	18.0
91.05518	0.3
102.88728	0.1
114.10309	0.2
115.08714	0.2
119.04938	0.9
123.04512	0.1
135.90591	0.1
136.06194	0.3
137.06013	0.7
145.02869	0.2
147.04427	1.3
150.03123	2.3
151.03940	1.1
161.02371	0.2
163.03909	0.3
165.05492	1.4
175.03908	1.0
177.05513	0.3
178.02612	16.1
193.04970	100.0
222.11238	0.3
264.12122	1.0
281.14938	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	281.1387
Annotation	(+)-Almuheptolide B
Peak:m/z	Relative Intensity
56.79501	3.0
57.03445	6.6
58.65385	3.1
60.04511	2.5
66.26203	2.6
67.05524	23.9
69.07072	3.8
71.00093	2.9
71.04991	4.3
79.05495	19.7
81.07066	5.4
82.07424	3.4
83.04967	6.4
90.25277	3.5
91.05492	36.7
92.91145	3.2
93.03432	4.0
93.07035	3.3
95.04976	16.8
95.08598	4.3
101.21196	3.3
103.66047	2.8
105.03392	29.8
105.07049	30.6
105.24985	2.7
107.04965	100.0
117.07005	23.4
119.05025	4.6
119.08606	49.0
121.02869	4.0
121.06616	4.0
123.04413	3.8
126.81739	2.9
128.06236	4.0
129.07040	4.9
133.06474	6.6
133.10115	30.2
143.08571	24.0
145.06506	17.4
147.08051	18.7
161.09608	54.5
166.99184	3.4
171.08008	21.6
189.09106	22.3
193.10069	2.9
208.01596	2.7
222.08440	20.7
224.93559	3.0
234.92043	5.7
263.12894	5.6
281.11234	4.0
281.13885	57.5
281.19025	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	281.1387
Annotation	Artemisitene
Peak:m/z	Relative Intensity
55.01883	1.2
55.05523	3.6
57.07064	1.3
61.41839	0.8
67.05513	7.2
69.07063	3.8
71.04980	1.0
71.08630	2.0
76.93681	1.0
79.05473	5.3
81.07063	7.9
83.04962	1.7
83.08624	4.6
85.10184	1.2
91.05491	2.3
93.07015	4.1
95.04983	1.9
95.08616	7.2
97.10125	1.4
99.08090	1.9
105.07012	4.6
107.04983	1.1
107.08584	5.1
109.06509	1.5
109.10157	1.4
111.08047	1.8
113.25632	1.1
116.05307	1.3
119.08549	4.2
121.10168	1.4
123.08021	5.1
123.11700	1.2
133.10098	5.1
135.08047	6.7
137.05946	6.4
137.09572	1.0
139.11205	1.1
145.10036	1.2
147.04333	1.1
147.11655	2.4
148.05209	1.6
149.09604	1.7
151.11165	1.7
161.05917	1.9
161.09647	2.4
161.13249	1.3
163.07504	1.5
165.09052	1.0
165.12773	1.7
166.06154	1.0
167.07043	3.7
167.10667	1.0
171.11693	1.0
179.07014	4.5
179.10713	1.8
189.09100	6.3
191.07037	21.6
197.09631	3.9
203.10651	5.7
207.10150	5.7
207.13945	1.3
209.08090	100.0
211.11176	1.5
221.11684	4.8
222.08344	1.4
224.11832	1.1
231.10118	2.1
234.92120	1.4
238.09952	1.7
239.10661	4.5
239.14319	6.4
245.18982	1.2
249.11235	15.8
263.20026	6.3
281.13797	91.2
281.18872	5.2
281.21518	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	281.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
55.05508	5.1
55.09475	0.8
56.08912	0.9
57.03449	13.6
57.38966	0.8
59.40203	0.8
61.02930	12.9
69.03434	41.9
69.13049	0.9
71.05003	1.9
73.02920	1.9
81.03413	5.7
83.04984	14.4
85.02921	14.9
87.04463	1.4
91.03938	7.9
91.05466	3.3
95.08628	1.0
96.67227	0.8
99.04455	3.5
103.03940	1.9
105.07042	1.9
107.08597	76.8
109.06561	1.6
111.04427	9.6
118.64510	0.8
119.08582	9.8
124.57258	0.8
129.05489	8.3
135.08060	100.0
138.39752	0.8
147.06494	7.9
147.07542	1.0
161.82919	0.8
180.14854	0.8
183.07982	0.9
216.91132	1.0
226.24402	0.8
234.92203	1.6
281.13809	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	281.1172
Annotation	Galanganal
Peak:m/z	Relative Intensity
53.41119	0.3
55.01879	0.3
65.97976	0.3
73.33777	0.4
74.52054	0.3
79.05485	0.6
91.05476	2.5
95.04970	1.6
103.05510	3.5
105.13318	0.4
107.04962	100.0
115.05473	0.9
117.07004	2.8
119.04930	3.3
128.92632	0.3
129.06987	4.8
131.04933	23.8
132.05742	2.7
133.06520	0.9
141.07018	1.7
145.06488	35.2
149.06061	0.5
155.05017	0.4
157.06487	12.8
169.06502	7.5
170.07268	0.5
171.08133	0.6
175.07570	0.6
181.06483	0.5
194.07338	0.7
195.08041	0.8
202.07767	0.9
203.08600	0.5
207.08089	2.1
207.11629	0.5
208.08847	0.6
210.06870	0.7
215.08670	0.5
217.10190	1.7
218.07309	0.9
219.07979	0.7
220.08839	3.9
223.07603	3.4
223.11244	2.4
227.08470	0.5
231.07976	0.4
233.09624	2.9
235.11128	3.5
236.08315	3.0
245.09540	2.8
246.10356	0.5
247.07545	1.5
248.08397	3.2
249.09149	0.4
250.09926	0.4
251.10664	24.7
263.10648	9.4
281.11844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1134
Annotation	L-Aspartyl-L-phenylalanine
Peak:m/z	Relative Intensity
55.05506	1.0
67.87357	0.5
70.02968	6.9
70.06597	4.2
71.05009	0.7
72.08163	16.5
74.02440	1.2
80.78416	0.5
84.04523	2.1
84.05619	1.1
84.08144	4.1
86.09675	0.7
88.03996	25.9
88.07623	1.1
89.10796	3.7
91.05481	8.3
93.06978	0.5
98.06065	2.9
103.05475	2.2
107.04967	1.1
108.04435	0.5
110.13695	0.6
114.09172	0.9
114.10297	0.7
115.08687	1.0
120.08111	100.0
121.08472	0.7
123.04434	2.2
127.03887	0.6
127.60869	0.6
130.06575	5.4
131.04898	5.1
131.12917	0.7
134.06023	3.0
137.06007	1.0
138.06354	1.1
144.08139	0.9
145.02852	4.7
147.06261	0.5
147.09177	1.0
149.05992	3.4
157.06436	1.1
161.02368	1.1
166.08641	42.1
168.06641	0.8
172.07559	5.4
175.08690	18.3
177.05478	10.1
178.02617	3.3
178.05901	0.6
182.06033	2.6
189.10298	0.7
190.08659	3.1
193.04987	21.1
200.07083	19.2
217.06847	1.0
217.09760	1.0
218.08174	1.4
221.09460	6.3
222.08272	1.3
222.11281	0.9
227.11653	0.7
228.06589	0.9
232.09734	1.1
235.10768	21.9
245.09218	2.8
245.12814	1.9
246.07602	10.9
246.10045	0.7
246.11214	0.6
263.07391	0.6
263.10162	3.9
263.14163	3.2
264.12338	2.6
272.13205	0.6
281.08136	2.0
281.11417	14.7
281.14877	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	281.1135
Annotation	LEVOSIMENDAN
Peak:m/z	Relative Intensity
55.05515	1.8
65.03953	0.5
72.08160	24.1
76.26501	0.5
84.04504	0.5
84.08137	2.3
86.09703	3.5
88.87589	0.4
89.10800	0.5
98.06027	0.6
109.02808	0.6
121.02868	7.0
129.10248	0.4
147.89822	0.5
149.02347	2.1
152.14050	0.4
157.13342	2.2
164.03400	2.1
165.01831	9.0
184.05940	0.4
192.02968	0.9
193.01334	100.0
194.04495	1.7
210.03961	0.8
218.08203	2.0
264.08664	39.9
281.11334	39.3
292.61990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01115	0.3
61.18534	0.2
72.08190	0.3
74.06095	1.1
79.05479	0.3
88.03996	1.3
91.05502	0.7
102.05558	0.7
105.51428	0.3
119.03566	0.4
120.06591	5.3
120.08099	5.5
130.04990	0.4
131.08359	1.2
136.06186	100.0
137.04558	0.4
151.07549	0.6
152.07910	0.6
162.04103	51.3
166.08633	2.0
172.07393	0.3
175.08698	0.6
200.07037	0.7
235.10728	0.6
263.13663	0.5
281.09854	17.0
281.14847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.6
56.05046	0.4
70.06607	1.2
72.08190	0.8
74.06086	2.3
84.08157	0.5
86.09713	0.9
98.06062	1.2
99.06415	0.5
101.06049	0.5
102.05580	1.5
114.02251	0.3
116.07099	0.4
119.03558	1.4
120.06586	8.7
120.07461	0.3
126.88380	0.3
133.04813	0.5
136.06195	100.0
137.04564	0.4
143.53632	0.2
146.06017	1.2
147.06386	2.2
162.04112	58.5
171.06392	0.5
174.05400	0.3
175.05833	0.4
199.05815	1.3
209.03857	0.4
217.06859	2.3
225.04497	0.2
235.05527	0.3
245.06248	0.3
263.07153	0.3
281.05939	1.1
281.09836	15.6
281.14963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19782	0.6
55.05515	1.1
55.23419	0.4
59.98875	0.6
59.99122	11.7
63.19244	0.4
67.05507	2.6
69.03430	3.7
71.04997	1.0
72.04512	1.3
72.08157	8.1
79.05483	3.2
81.03426	0.7
81.07062	3.5
83.04963	1.0
83.08623	0.5
87.09862	0.5
88.02222	52.4
91.05476	2.1
93.07038	5.0
95.04964	0.5
95.08585	3.0
97.06511	1.1
99.08119	0.8
100.07627	2.3
105.07056	1.0
107.08594	7.0
109.10148	2.2
111.04414	0.8
111.08037	0.6
116.05318	100.0
118.96761	0.8
119.08578	2.9
121.10138	2.9
131.08607	0.6
133.10127	0.7
135.08047	7.3
137.09622	0.6
146.99117	0.6
147.06522	0.6
148.02501	26.8
151.11150	1.1
179.51491	0.5
182.06494	0.5
199.14748	0.5
207.99268	0.9
216.91136	0.7
217.15858	0.6
234.92159	1.9
263.20056	2.8
281.21194	6.1
289.22983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68897	3.0
57.03431	5.4
57.95240	2.4
60.35390	2.5
61.02924	12.3
63.45106	2.6
67.22103	3.1
68.17697	2.8
69.03433	22.1
73.02917	44.4
81.03429	5.4
82.09228	2.5
85.02917	80.3
87.04465	11.5
91.47377	3.3
97.02911	26.7
98.97587	39.9
104.01263	5.1
105.03886	2.7
109.02859	5.7
110.01283	6.8
110.97556	3.5
116.01264	4.9
116.98646	6.1
119.01795	21.6
120.08091	5.1
125.01748	5.4
125.41810	3.3
127.03906	23.0
130.11029	2.6
131.01793	4.9
137.01773	4.2
140.02312	3.5
143.01840	15.0
145.04948	12.2
146.02296	6.7
151.03949	3.1
152.02324	13.9
155.02817	12.5
158.99644	100.0
161.02907	35.3
161.53122	3.3
170.03310	7.3
170.99664	19.7
177.00676	31.3
177.02029	3.4
182.03394	16.1
182.99724	3.3
189.00714	12.8
191.03876	56.1
199.02731	3.9
200.04419	50.7
201.00586	5.6
203.04031	5.2
209.05005	12.6
216.19037	3.0
219.01778	48.9
231.01834	3.7
263.06128	4.1
272.06564	16.4
279.03915	5.6
279.07797	4.3
280.94562	4.7
281.07147	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	280.2637
Annotation	linoleamide
Peak:m/z	Relative Intensity
55.05535	21.4
57.07082	22.6
60.64305	2.3
66.87184	2.2
67.05516	43.6
69.07076	53.8
70.13694	2.6
71.08625	11.5
75.92924	2.3
79.05490	6.0
79.87624	2.3
80.46729	2.6
81.07071	69.5
83.04985	3.5
83.08634	50.3
85.10184	2.7
91.05494	5.6
93.06543	2.7
93.07032	19.3
95.08620	75.3
97.06528	3.3
97.10172	29.1
99.08055	3.0
100.07610	13.1
105.07024	9.8
107.08591	16.0
109.10159	44.9
111.08081	11.9
111.11722	4.3
114.09164	11.5
119.08572	12.1
121.10155	18.4
123.11703	26.1
125.09587	4.1
126.09157	2.7
128.10759	5.3
133.10155	18.5
135.11679	14.2
137.13269	12.2
139.11185	5.4
142.12263	4.5
147.11713	14.3
149.02370	3.2
149.13251	16.6
151.14821	4.5
156.13773	4.2
161.13234	18.2
163.14783	4.6
164.39026	3.4
165.16316	6.0
173.18169	2.6
175.14835	9.4
179.17902	4.3
189.16385	3.9
190.92810	2.7
201.16484	2.7
219.21187	3.6
221.08163	4.7
245.22641	46.7
263.23703	67.7
280.26376	100.0
301.60172	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	280.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99548	0.5
55.05508	1.2
75.95121	0.4
84.05630	10.2
96.05567	0.8
100.77538	0.5
138.10269	78.1
156.49071	0.5
210.12277	0.5
221.98781	0.6
280.20190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
67.53853	0.5
77.56867	0.4
79.47819	0.4
84.05637	9.9
96.05624	0.6
103.21725	0.6
121.07658	0.5
138.10274	78.6
142.74637	0.5
154.66089	0.5
210.12419	0.7
224.61288	0.5
226.15625	0.9
236.21117	0.5
280.20206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.1
57.39374	0.3
61.42305	0.3
81.13857	0.4
84.05634	10.4
91.95115	0.4
96.05616	2.0
118.06776	0.3
121.81692	0.3
138.10265	81.5
139.11092	0.5
146.06075	0.5
177.05565	0.5
178.05826	0.7
216.06456	0.6
226.15504	0.6
234.19632	0.7
236.21176	0.7
253.08374	0.4
280.20184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
72.08134	0.6
84.05637	9.0
86.20267	0.4
96.05601	1.0
110.07204	0.5
138.10266	79.0
139.11005	0.5
172.26183	0.5
210.12396	0.5
210.68983	0.5
226.15419	0.7
234.19629	0.5
280.20184	100.0
304.26913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17472	0.2
65.62577	0.2
113.46439	0.2
117.03402	1.2
135.64774	0.2
145.02846	6.2
148.91861	0.3
177.05466	16.1
179.69608	0.3
206.05742	1.6
221.08092	100.0
265.57047	0.3
280.15433	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	280.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38370	0.1
58.32368	0.2
67.78989	0.2
89.03928	0.3
117.03399	1.1
137.45070	0.2
145.02864	7.7
149.06000	0.4
177.05476	17.3
206.05632	2.0
221.08098	100.0
280.15445	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	280.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47672	0.3
72.08131	0.5
85.49886	0.3
117.03320	0.6
145.02867	5.8
147.04375	1.5
164.80180	0.4
169.89516	0.4
177.03918	0.8
177.05464	16.8
192.07359	0.7
206.05722	0.7
221.08093	100.0
280.15457	13.0
283.69516	0.4
294.05624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44882	0.3
76.32753	0.3
89.03882	0.4
92.18361	0.4
117.03405	0.7
145.02861	7.1
177.05453	18.0
183.39090	0.4
206.05695	2.6
221.08086	100.0
224.60925	0.4
280.15439	9.8
280.20004	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	280.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.2
70.06606	6.7
71.04976	0.9
72.08163	21.7
73.08488	1.1
75.11567	0.8
84.04517	0.9
84.08166	3.0
85.02924	1.1
86.09727	11.4
88.03986	1.1
89.10771	1.0
91.05484	11.2
93.07029	0.8
95.04952	4.8
98.06042	1.6
102.05521	1.1
104.10729	1.1
106.82266	0.8
115.08665	1.3
119.04954	15.3
120.08109	0.9
124.95665	1.0
126.12793	1.4
129.10246	1.4
130.05009	27.3
136.05249	2.3
137.06044	1.4
139.03876	3.6
149.02347	3.8
151.07552	100.0
163.03844	4.2
164.04333	3.4
165.05486	1.9
167.03418	8.6
193.01312	1.1
193.04948	3.5
198.08748	1.1
199.17999	1.4
209.04469	1.1
221.04449	3.5
221.08038	3.3
263.10950	1.3
280.11749	45.4
280.16705	2.5
280.22235	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	280.0819
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
54.36331	0.4
55.01875	0.6
65.06913	0.5
67.05516	0.7
70.06609	4.0
72.08162	4.0
73.25356	0.6
79.05505	2.1
81.07057	12.0
84.04524	0.6
84.08155	2.4
86.09730	1.0
87.04480	2.9
88.02246	1.0
88.04002	6.3
91.05489	1.1
93.07049	2.1
95.05016	0.6
95.08611	11.1
97.06551	3.2
98.06061	10.1
99.08125	0.7
100.07578	0.6
105.07079	1.1
113.04265	4.1
114.10316	0.6
116.07093	8.4
120.01192	1.2
120.08158	0.6
121.06569	0.6
122.02722	1.1
123.08073	18.3
127.05774	0.9
131.04977	1.0
132.01208	0.6
132.04453	30.1
132.05385	1.0
132.08159	0.6
133.05276	3.5
137.04279	1.9
141.09119	8.8
144.08038	0.6
145.06834	6.0
146.06017	100.0
154.06561	0.9
155.05284	8.5
158.06090	2.7
159.10152	0.6
159.49783	0.6
160.07593	0.6
170.06009	22.1
172.07578	3.9
173.06313	47.8
174.05501	22.4
177.05504	0.7
180.01791	0.5
188.07063	1.3
191.07343	8.3
196.09744	0.7
198.05513	41.5
200.07167	2.3
204.15755	4.2
216.06561	85.1
220.06024	0.6
222.96799	0.5
226.04968	0.9
230.39185	0.7
234.07597	9.2
234.11415	1.7
244.06041	23.1
244.09929	1.1
245.08517	2.9
257.92493	0.5
262.07089	17.8
262.10953	6.5
262.16449	2.3
280.05258	1.2
280.08273	7.3
280.12085	17.8
280.15149	2.1
280.17471	2.9
286.69534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0818
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
50.18549	0.3
59.07402	0.4
59.75498	0.3
72.08157	0.6
72.78112	0.3
92.55266	3.5
98.06055	1.5
99.06369	0.5
114.10281	0.5
114.56541	1.4
115.08688	0.8
115.10652	0.4
126.06761	0.8
130.06506	0.4
131.04837	0.3
132.04460	36.7
132.05263	1.6
133.05232	2.9
141.77611	0.4
144.08060	0.5
145.02853	0.6
146.06021	100.0
154.06558	0.6
157.10818	0.4
158.05963	2.3
158.11238	0.6
170.06010	15.0
170.07481	0.5
172.07617	3.2
174.05515	20.5
177.05467	0.8
178.05812	1.8
188.07036	1.5
198.05516	28.1
200.07053	1.8
202.04900	0.7
202.14273	0.6
203.12517	0.5
216.06570	78.8
220.06102	0.5
221.07996	0.4
226.04944	0.8
234.07632	6.2
244.06065	13.1
245.14799	0.5
262.07123	17.5
262.09924	0.8
272.10364	2.6
280.08124	3.1
280.15277	1.9
280.18436	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	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.39583	1.5
51.62376	1.4
55.05506	3.4
57.07083	10.9
63.21307	1.7
65.50397	1.8
67.05514	80.4
69.07060	6.8
79.05488	2.5
81.07065	100.0
81.93131	1.5
83.08594	7.3
91.05476	2.0
93.07024	7.8
95.08610	83.2
97.10160	2.8
107.08601	7.0
108.89285	1.6
109.10165	55.3
119.08508	2.4
121.10149	10.3
123.11693	34.8
133.10141	2.7
135.65321	1.5
137.13271	11.4
144.18050	1.6
147.11580	1.9
149.02350	72.1
151.14772	1.8
151.80659	1.3
163.14830	1.9
173.13280	2.8
219.05779	1.8
256.32233	1.6
261.22263	2.7
279.09235	8.5
279.20087	2.4
279.23190	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
56.17563	3.1
57.07077	13.8
58.96815	2.9
61.19515	3.6
65.03936	3.2
67.05190	4.3
67.05519	100.0
67.85710	3.1
69.07056	14.4
74.34396	3.1
79.05492	8.6
81.07072	96.0
83.08609	6.7
85.72253	3.8
92.18477	4.5
93.07056	8.9
95.08038	6.4
95.08612	96.0
107.08602	19.5
109.10171	42.0
121.10118	7.4
123.11695	24.9
131.08571	4.5
135.11661	4.8
137.13229	7.6
145.10107	6.0
149.02348	52.7
161.13274	4.4
173.13297	4.8
184.66965	3.8
202.12030	3.9
227.65788	3.8
243.21062	5.1
261.22195	7.0
270.92520	3.4
279.09317	16.3
279.23230	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.86197	0.8
55.05513	5.7
57.38768	1.0
65.32839	1.1
66.06682	1.2
67.05513	80.3
69.07064	6.8
69.11366	1.0
71.05006	1.4
73.87802	0.9
79.05509	8.2
81.07065	100.0
83.08611	8.1
85.06525	1.5
91.05476	2.1
93.07062	10.0
95.08611	84.2
97.06569	1.1
98.42542	1.3
105.07041	2.4
107.08600	7.2
109.06528	1.2
109.10165	32.7
111.17774	1.4
117.07016	1.7
119.08573	1.6
121.10149	7.9
123.11707	16.9
123.32073	1.1
131.08548	5.8
133.10133	2.6
135.11713	5.5
137.13281	12.0
140.19337	1.1
145.10104	1.8
149.02394	1.4
149.13245	4.5
151.14854	2.4
159.11703	2.6
161.13289	1.7
163.11194	1.7
163.14845	1.3
163.24928	1.4
173.13223	8.0
177.12733	1.8
179.14378	1.5
181.12247	1.6
187.14905	1.9
191.14378	1.7
195.13853	1.6
205.15863	1.4
209.15373	4.5
223.17139	1.4
261.22171	2.4
264.73917	1.2
279.23203	39.2
279.26086	2.2
285.67590	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	(8alpha,13S)-8,13:13,17-Diepoxy-14,15-dinorlabdane
Peak:m/z	Relative Intensity
55.01887	4.2
55.05513	14.1
57.07099	15.8
58.77569	2.0
63.17057	2.0
65.63342	2.3
67.05186	3.2
67.05512	56.1
69.07076	22.9
71.08604	3.6
79.05489	13.9
81.07066	76.3
82.60644	2.1
83.04951	2.3
83.08630	8.2
85.06515	3.6
85.10177	3.7
91.05476	4.0
93.07038	25.9
95.08607	69.9
97.06543	9.4
97.10160	4.0
107.08588	13.6
109.10157	37.4
119.08575	3.6
121.10120	15.3
123.11698	18.5
131.08598	2.7
133.10139	9.4
135.11708	10.7
137.13261	4.7
139.11177	2.8
149.13254	4.8
153.12730	2.7
159.11717	2.2
160.31909	2.1
187.14809	2.8
243.20970	3.0
249.46638	2.6
261.22110	9.9
279.23190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	17-Octadecen-9-ynoic acid
Peak:m/z	Relative Intensity
53.00470	3.1
55.01876	15.2
55.05520	27.4
57.07085	26.8
67.05507	42.9
69.07079	32.1
71.34657	2.8
79.05499	39.6
81.06612	3.6
81.07068	71.3
83.08637	34.4
93.07062	50.7
94.43993	3.3
95.08609	63.1
97.06525	4.7
97.10168	8.1
105.07047	4.3
107.08611	36.6
109.10178	23.4
111.08098	7.0
111.11703	3.3
121.10155	69.1
123.11719	6.6
131.08569	6.0
135.11710	32.9
137.13284	8.0
142.81166	3.3
147.11765	4.4
149.02357	100.0
149.13249	18.9
151.14906	3.7
163.14853	5.4
167.14316	18.5
233.22595	33.1
243.21190	14.8
261.22156	18.9
279.23193	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	279.2321
Annotation	17-Octadecen-9-ynoic acid
Peak:m/z	Relative Intensity
53.03951	2.6
55.01696	1.1
55.01888	18.0
55.05526	28.9
57.03440	1.8
57.07083	24.1
67.05181	3.0
67.05515	64.2
67.05875	2.2
69.07071	51.5
70.21378	1.3
71.04993	3.8
71.08620	8.3
75.99313	1.8
79.05502	44.3
81.07066	90.6
83.05009	2.4
83.08627	54.8
85.06473	1.8
87.09321	1.6
91.05481	11.0
93.07051	61.0
95.04970	3.0
95.08611	72.5
97.06529	7.3
97.10184	17.8
105.07028	7.8
107.08598	66.3
109.06531	2.6
109.10162	35.5
111.08073	8.6
111.11704	1.8
119.08570	10.2
121.10150	85.9
123.08019	1.9
123.11710	16.2
125.06049	3.7
125.09583	2.7
127.78600	2.4
131.08540	6.2
133.10095	3.4
135.11697	58.5
137.13281	16.1
139.07581	2.6
145.10143	6.8
147.11665	8.7
149.02353	100.0
149.13264	25.5
151.14807	8.0
159.11679	6.7
161.13274	4.2
163.11198	3.4
163.14799	3.3
167.14326	25.5
167.33487	1.7
173.13330	3.5
177.12733	2.7
177.16426	6.5
187.14673	1.8
201.58412	1.9
233.22641	58.4
243.21098	16.4
256.14603	1.9
261.22086	26.4
279.09296	3.1
279.23169	41.5
286.02042	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	279.2321
Annotation	Farnesylacetone epoxide
Peak:m/z	Relative Intensity
50.54324	3.5
54.40078	3.3
54.84198	3.2
55.01892	4.0
55.05526	8.2
57.03444	5.5
57.07079	28.4
67.05508	73.3
69.07072	20.5
71.04987	4.3
79.05501	22.3
81.07066	86.9
83.04980	6.5
83.08638	9.1
85.06537	9.1
85.10191	54.0
91.05492	9.3
93.07034	28.1
95.04993	16.1
95.08607	76.5
97.06557	7.4
97.10188	6.5
99.08108	4.8
105.07008	8.5
106.53832	4.4
107.08585	28.8
109.06528	7.6
109.10164	32.2
111.08026	5.2
113.06014	66.6
113.09641	39.1
117.44958	3.6
119.08611	7.3
121.02858	4.6
121.10146	23.8
123.08098	4.9
123.11705	21.7
129.34810	3.9
131.08585	7.5
133.10141	44.8
135.08087	8.5
135.11725	17.7
137.13356	7.9
145.10106	5.3
147.11768	4.4
149.02338	50.7
149.13272	9.0
151.11153	6.8
159.11810	6.5
177.12753	5.2
179.10739	4.7
191.07040	5.2
197.11597	4.3
232.06604	9.5
243.21098	5.7
261.18552	8.2
261.22144	15.4
279.19586	27.4
279.23212	100.0
291.07147	9.3
292.84616	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	279.232
Annotation	17-Octadecen-9-ynoic acid
Peak:m/z	Relative Intensity
51.20927	1.1
51.77554	1.2
55.01884	23.3
55.05524	13.3
55.53207	1.3
57.03424	1.5
57.07088	17.9
59.05007	1.5
61.32634	1.3
67.05515	29.1
67.35363	1.2
69.07074	54.5
71.04998	2.5
71.08628	1.7
79.05485	15.9
81.07068	40.3
82.64230	1.4
83.04975	7.6
83.08625	25.7
85.10159	2.6
89.07875	1.3
90.00539	1.3
91.05481	2.6
93.07051	31.3
95.08614	35.3
97.06540	6.9
97.10159	5.7
105.07046	1.7
107.08607	22.6
109.10170	17.2
111.08050	7.7
113.09663	2.4
119.08572	3.3
121.02908	1.4
121.10166	18.6
123.11724	8.3
125.09641	2.0
131.08585	3.1
133.10149	3.2
135.08031	4.4
135.11711	19.1
137.13225	2.6
140.01973	1.5
145.10162	3.0
149.01157	3.3
149.02347	100.0
149.09630	5.5
149.13254	6.8
151.14804	1.8
153.12747	33.7
155.84784	1.3
159.11673	1.9
163.11180	2.1
167.10667	2.2
181.12160	2.3
219.21164	4.9
223.16809	1.5
233.22650	9.0
243.21008	5.7
251.23763	1.8
261.22156	10.9
279.09363	2.7
279.23141	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	279.2321
Annotation	Crepenynic acid
Peak:m/z	Relative Intensity
53.00323	1.0
54.83963	0.8
55.01890	2.5
55.05511	4.3
56.72950	0.8
56.85379	1.0
57.03434	1.1
57.07084	18.1
65.53410	1.0
65.84972	0.9
67.05510	22.0
69.07079	7.3
71.08644	21.3
74.67496	1.0
75.84299	0.9
79.05493	8.4
81.07066	31.4
82.01935	1.0
83.04992	1.3
83.08637	4.1
91.05482	5.0
93.07037	8.5
95.08611	24.8
97.06532	2.1
97.10182	1.2
99.08104	11.4
100.35923	1.0
105.07050	4.3
107.08576	8.3
109.10180	9.5
115.96449	1.1
119.08594	4.9
121.10153	5.7
123.11723	4.8
127.11221	1.7
131.08563	1.7
133.10121	1.6
135.11668	3.9
137.13275	2.2
139.11156	1.6
145.10191	2.3
147.11685	11.3
149.02351	100.0
149.13266	2.1
154.63240	1.1
160.07635	1.1
163.14833	4.8
165.12790	4.7
167.03336	1.2
173.13243	2.0
181.15843	1.7
202.85123	1.1
209.15369	1.3
219.05687	1.2
243.21057	6.3
261.22144	6.8
279.09250	1.6
279.23206	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23074	0.9
55.05520	5.7
57.03438	1.4
57.07091	10.8
67.05515	58.9
69.07072	7.2
79.05499	8.1
81.07067	66.6
81.07545	2.4
83.08617	6.0
83.83160	0.9
85.10175	9.6
91.05502	1.3
93.07056	8.5
95.08616	100.0
97.06551	1.5
97.10179	5.5
97.76526	1.1
105.07019	2.4
107.08608	5.5
109.10168	64.3
113.09658	5.2
119.08611	1.5
121.10154	5.1
123.11723	10.9
123.69318	1.0
125.09566	1.1
131.08578	1.6
133.10127	5.2
135.11717	2.4
137.13297	3.9
147.11723	2.5
149.02356	57.6
149.13260	2.1
151.14810	1.6
155.10704	2.4
156.62541	1.2
159.11674	1.1
167.14407	1.6
179.14325	1.5
195.14043	1.4
205.08745	1.5
223.17035	1.3
243.21126	1.2
261.22116	4.4
279.20001	3.7
279.23184	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
54.18575	1.4
55.05513	6.2
57.07079	1.8
65.72498	1.5
67.05515	75.9
69.07061	10.5
73.13009	1.6
79.05494	4.1
81.07066	100.0
83.08635	4.1
85.06519	1.7
93.07042	9.1
95.08613	93.3
97.06544	1.9
97.10137	2.0
107.08594	7.9
109.10162	30.0
121.10132	7.5
121.48203	1.8
123.11688	16.2
131.08542	6.8
133.10207	2.8
135.11702	9.2
137.13264	15.5
147.11624	1.8
149.02339	7.7
149.13242	2.0
151.14853	3.1
171.26555	1.7
173.13297	3.9
195.13785	2.3
209.15356	3.9
215.72685	1.6
223.16989	2.5
261.22046	2.2
279.23209	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	(8alpha,13S)-8,13:13,17-Diepoxy-14,15-dinorlabdane
Peak:m/z	Relative Intensity
53.36607	3.7
55.05521	5.8
57.07085	10.2
61.89487	4.2
67.05209	5.9
67.05518	62.8
67.62821	4.1
69.03416	4.3
69.07074	8.9
69.10766	3.7
71.08629	22.5
79.05489	8.3
81.07079	87.1
83.08633	7.6
85.02915	4.0
85.10201	11.0
91.05470	22.4
93.07034	20.3
95.08614	59.2
97.10152	5.7
99.08051	17.5
107.08608	22.7
109.10166	23.3
113.09644	18.3
121.10139	16.3
123.11762	16.5
129.05495	6.6
133.10117	9.0
135.11719	7.1
137.13232	7.2
141.75481	4.7
147.11728	19.3
149.02338	51.6
149.09758	4.7
149.13223	5.6
151.11192	4.6
160.07599	9.0
160.44753	5.5
177.44548	4.4
186.09180	17.0
250.64894	16.7
257.65601	5.3
261.22208	6.4
279.09555	7.4
279.12650	6.1
279.17807	23.1
279.23181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	(8alpha,13S)-8,13:13,17-Diepoxy-14,15-dinorlabdane
Peak:m/z	Relative Intensity
55.01901	2.9
55.05517	5.7
57.07080	23.7
60.47292	2.5
63.82961	2.5
67.05517	50.9
69.07055	5.5
71.08601	2.8
79.05493	14.3
81.07059	47.3
83.08626	15.1
85.09711	4.6
85.10188	86.4
91.05481	12.9
93.07063	20.5
95.04939	3.7
95.08604	43.3
97.10159	4.3
105.07021	5.0
107.08594	13.3
109.06492	3.0
109.10175	20.8
111.08051	4.1
113.09650	76.7
119.08595	3.5
121.10107	9.3
122.01197	2.7
123.11724	5.6
131.08578	11.3
131.10661	3.8
132.13216	2.7
133.10143	44.2
135.11655	10.6
137.13283	4.3
147.11693	4.2
149.02368	25.2
149.09625	11.4
149.13272	32.0
151.11171	15.4
159.11642	4.6
160.07524	2.8
165.12758	6.3
167.14301	12.7
186.09102	9.5
188.06116	2.9
243.20984	6.4
261.22226	17.5
279.09363	5.4
279.17691	5.1
279.20126	5.7
279.23151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2069
Annotation	(-)-6alpha-methoxylupanine
Peak:m/z	Relative Intensity
55.05505	2.4
57.07085	0.9
64.82153	0.4
67.05481	0.6
69.07040	0.6
70.06598	7.5
72.04491	0.7
72.08160	9.8
74.57152	0.5
79.83038	0.6
80.48798	0.5
81.07067	2.1
82.54144	0.5
83.08620	3.4
88.92681	0.5
93.07050	1.2
95.08600	1.1
96.04496	0.9
107.08570	0.8
108.04487	1.1
109.06486	0.6
112.07616	2.2
114.09159	10.2
121.10143	3.0
122.06011	0.7
123.08070	0.8
123.11734	0.5
123.25174	0.6
131.08549	0.6
133.10260	0.5
138.09152	2.6
144.08110	0.6
149.02316	6.4
149.09648	6.2
149.10701	1.1
150.09135	18.5
150.12807	2.1
151.11182	0.8
153.71521	0.5
157.09685	0.7
164.10710	1.0
166.12282	2.2
167.11813	3.3
168.13809	7.1
178.12267	37.2
180.99997	0.7
182.14154	0.7
192.17520	0.5
197.54260	0.5
209.12886	2.6
219.18533	6.9
220.16968	100.0
237.19606	22.3
251.21242	4.2
261.19611	0.5
279.20679	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	279.1958
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
53.26183	1.2
55.01867	3.8
55.05519	13.9
62.77350	1.4
64.49061	1.2
67.05508	15.2
69.07063	13.3
71.08637	2.4
72.96177	1.3
79.05505	10.4
81.03398	2.7
81.07076	22.2
83.04979	6.7
83.08636	18.6
85.06534	2.5
85.10193	1.4
91.05467	14.3
93.07047	15.7
95.04972	81.0
95.08627	16.3
99.08087	3.5
105.07023	11.4
107.04975	12.3
107.08611	14.9
109.06505	11.4
109.10145	8.6
111.04451	11.2
111.08089	9.5
113.05956	1.7
117.06996	6.8
119.08566	9.5
121.06506	3.3
121.10147	12.8
123.08078	2.2
123.11723	1.6
127.07612	2.3
131.08554	16.0
133.06494	5.5
133.10098	13.2
135.08105	2.2
135.11673	2.7
137.09589	2.7
143.08492	2.0
145.10147	11.0
147.11703	7.9
149.02377	2.2
149.09630	55.8
149.13268	2.1
151.11165	10.0
152.08159	1.7
155.19325	1.6
159.11679	6.4
161.09653	2.0
163.11223	12.1
165.12778	3.0
173.09706	2.6
183.11568	1.6
187.11218	2.2
191.10635	2.4
209.11748	26.7
215.17989	6.7
223.13441	2.1
233.19022	2.7
243.17485	7.4
261.18484	42.4
279.16498	3.5
279.19562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1956
Annotation	(+)-Ro 09-1544
Peak:m/z	Relative Intensity
55.01870	10.2
55.05514	3.9
57.03452	2.7
57.07074	13.8
57.62077	2.2
67.05509	22.3
69.07059	12.3
74.06242	2.0
79.05507	15.0
81.07067	43.6
83.08621	3.5
85.02898	4.5
85.06558	2.2
91.05489	18.5
93.07056	21.2
95.04980	7.9
95.08614	20.3
97.06531	10.9
97.10183	3.2
101.02375	11.7
105.07034	15.6
107.04926	2.2
107.08582	19.4
109.06538	12.7
109.10165	14.1
111.04449	12.3
114.28303	2.0
117.07011	4.9
119.08556	17.1
121.06529	3.7
121.10139	10.0
123.08070	13.7
123.11712	2.7
125.06017	2.9
131.08572	13.8
131.67516	1.9
133.10129	23.7
135.08049	4.1
135.11679	10.2
137.05975	9.4
137.09560	2.6
143.08595	3.3
145.10130	9.4
147.11662	4.3
149.02342	43.0
149.09627	9.7
149.13274	2.3
151.11182	16.0
159.11679	12.1
161.09608	4.3
163.11220	9.2
166.85164	2.1
169.12254	9.6
171.09883	2.6
177.12767	8.9
179.10695	4.2
187.11264	11.7
197.11749	13.9
201.12933	2.4
205.12343	8.9
243.17493	9.3
261.18558	33.8
279.09772	3.7
279.19583	100.0
279.22949	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	279.1956
Annotation	6-Paradol
Peak:m/z	Relative Intensity
53.14130	1.6
54.49560	1.9
55.01867	7.3
55.05521	14.2
56.90735	1.6
57.07055	2.0
65.58564	1.8
67.05523	13.1
69.07066	8.7
70.61837	1.6
71.08633	15.3
79.05491	14.4
81.03426	3.9
81.07064	21.7
83.04983	4.1
83.08620	16.9
91.05474	8.1
91.33253	1.6
93.07053	22.1
95.04974	62.4
95.08628	15.8
97.06528	3.3
99.08120	14.8
105.07037	4.4
107.04956	10.7
107.08590	14.8
109.06518	7.9
109.10142	9.0
111.04467	7.3
111.08115	8.5
113.09621	2.0
121.06468	3.2
121.10177	15.8
131.08575	13.6
133.06487	3.3
133.10114	4.1
133.90254	1.6
135.08069	1.9
135.11668	3.3
139.07556	39.9
142.89189	2.2
145.10123	8.8
149.02304	9.2
149.09636	54.5
151.11272	3.3
159.11703	2.7
163.11148	8.0
164.78522	1.8
165.12714	2.2
167.10664	3.9
170.66843	2.0
175.04558	2.1
191.10637	6.2
195.13794	2.2
209.11763	19.7
215.17766	2.0
233.19016	4.2
238.57715	1.9
261.18512	20.0
279.19574	100.0
279.22455	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	279.1956
Annotation	Panaxjapyne C
Peak:m/z	Relative Intensity
50.20928	0.7
50.64287	0.8
55.01873	6.0
55.05507	1.7
57.03437	5.1
57.07075	0.8
62.74508	0.8
67.05170	1.5
67.05511	21.6
69.07072	16.5
71.05005	1.6
75.51585	0.9
79.05496	10.4
81.03429	15.3
81.07068	37.9
83.04958	2.0
83.08645	1.1
85.02895	4.6
85.06539	1.4
85.84167	0.9
89.42524	0.9
90.46381	0.8
91.05481	9.6
93.07050	13.0
95.04990	7.0
95.08612	100.0
97.06522	8.5
97.10191	1.0
97.32629	0.9
99.08092	3.7
101.02370	3.7
103.59143	0.9
105.07043	11.4
107.04967	2.1
107.08601	6.8
109.06548	3.3
109.10148	1.5
111.04433	4.8
111.08070	3.4
113.06001	2.1
117.07024	4.8
119.08549	7.1
121.06534	7.0
121.10139	4.2
123.08074	29.6
123.11703	1.6
125.09582	1.0
131.08583	3.9
133.10123	7.9
135.08064	1.4
135.11699	4.9
137.09651	6.9
141.09093	4.5
143.08630	1.1
145.10144	3.5
145.86725	0.9
147.11673	1.1
148.74620	1.0
149.02356	4.5
149.09645	2.1
151.11183	7.5
159.10178	5.6
159.11565	1.5
161.09538	1.5
163.11223	4.4
165.09077	1.8
165.12910	0.9
169.12210	2.0
174.13499	0.9
179.10678	2.2
181.12254	10.4
197.11749	5.5
205.71797	1.1
243.17294	1.4
261.18503	18.7
279.19516	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	279.1957
Annotation	6-Paradol
Peak:m/z	Relative Intensity
55.05504	3.7
57.07079	3.5
67.05516	11.0
68.34438	0.9
69.07070	2.1
69.56496	0.8
71.04975	0.9
71.08640	7.2
72.93608	0.9
79.05515	16.7
81.07068	100.0
83.04971	1.6
83.08623	4.7
91.05493	11.2
91.25301	0.8
92.58715	1.0
93.07059	10.9
95.04980	8.6
95.08611	11.8
97.06555	1.1
97.87936	1.0
99.08099	4.0
100.11266	0.9
105.07020	7.2
107.04948	4.0
107.08572	6.5
107.55653	1.0
109.06529	87.9
109.10180	5.6
116.83185	1.0
117.07007	2.2
119.08576	9.9
121.06547	1.8
121.10168	4.4
123.08053	1.8
125.09652	1.3
131.08583	5.2
133.10155	13.7
135.08028	1.7
135.11714	4.0
137.09587	10.4
139.07535	1.7
145.10123	4.3
149.02324	9.7
149.09602	10.3
151.11205	6.6
159.11696	1.9
161.09685	6.7
163.11192	4.1
179.10692	5.7
185.31267	1.0
186.09187	1.8
237.79022	1.2
261.18503	33.5
279.09137	1.3
279.19592	60.7
284.12085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1818
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
54.58093	0.4
55.05499	0.9
57.07094	0.5
58.06600	1.3
60.05648	0.9
69.07074	7.1
69.11056	0.5
70.06597	100.0
72.08153	2.8
77.91582	0.6
84.05623	0.9
86.09703	2.0
87.09237	0.7
88.07610	2.6
91.05476	2.2
96.04473	0.6
96.88452	0.6
101.07144	3.9
103.05477	0.6
105.07038	21.5
111.11723	4.4
112.08733	6.8
113.07130	19.4
114.10278	0.9
120.08112	13.3
123.04472	0.6
129.11339	2.3
129.12724	2.2
130.09758	3.3
133.06487	2.9
136.06175	2.7
141.88037	0.6
147.04399	1.1
147.13812	0.6
149.02324	6.1
163.03935	2.4
170.09708	0.8
184.09134	0.7
190.12321	1.2
200.10530	0.7
202.12274	24.7
219.15018	1.0
220.13251	0.6
237.15900	0.8
245.12831	8.7
247.50685	0.6
261.17099	8.0
262.15558	3.7
263.06485	0.6
279.06519	2.6
279.10162	1.9
279.18185	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15904	0.4
51.22241	0.5
55.05520	0.6
56.16418	0.4
56.57788	0.5
60.05641	0.9
64.08369	0.5
65.51834	0.4
69.69830	0.5
70.06597	0.6
71.64946	0.5
72.07756	0.9
72.08160	24.8
73.04031	0.7
84.08173	0.5
86.09716	2.3
97.07658	3.0
98.06039	0.8
100.11271	3.1
105.03401	0.8
107.04219	0.7
107.04958	31.2
114.10294	32.0
115.08688	7.4
117.13898	2.8
121.06573	0.6
124.63573	0.5
131.12918	0.7
135.04419	0.6
145.02939	0.6
149.02332	1.8
149.05983	12.7
153.83220	0.6
163.03891	22.7
166.08684	0.6
178.08627	2.5
192.74472	0.5
201.50650	0.5
219.14915	23.5
220.13324	66.9
222.53214	0.6
237.15988	2.0
262.11224	0.5
262.15503	20.9
279.18185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1816
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
55.05509	1.2
60.05656	0.6
70.06590	0.6
72.08156	7.0
87.92679	0.5
88.42361	0.5
89.19064	0.5
95.95404	0.5
96.08123	0.8
97.07661	11.0
98.06060	28.1
105.07022	2.6
113.10796	3.7
114.09169	10.0
114.10290	22.5
115.08691	21.0
118.06511	0.6
125.41934	0.5
131.04936	23.4
131.05942	0.9
137.02454	0.5
140.08202	0.8
145.02858	0.9
149.04893	0.6
156.11346	5.8
157.10846	26.7
157.12125	1.0
165.61314	0.5
173.13951	5.5
177.05444	4.9
188.06624	0.5
190.09744	0.6
196.51381	0.6
201.13869	13.9
202.12241	14.4
202.13911	0.7
211.04446	0.4
213.55875	0.5
219.14993	1.1
244.14468	15.8
261.17078	1.1
279.18170	100.0
282.69568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1744
Annotation	Multicaulin
Peak:m/z	Relative Intensity
50.82311	0.5
51.01026	0.5
51.82914	0.5
67.05500	1.4
69.07045	1.0
69.34146	0.7
71.50624	0.6
81.07054	3.2
89.40646	0.6
91.05475	1.1
93.07019	1.1
95.08593	3.2
95.36288	0.7
105.07022	1.2
119.08582	2.9
120.24591	0.6
121.06481	1.1
121.81067	0.6
129.06960	0.8
131.08510	0.9
133.72195	0.7
135.08014	1.0
140.48579	0.7
143.08650	0.8
145.10109	1.3
147.08046	1.4
149.02354	9.8
159.08075	1.4
161.09592	4.1
173.09621	3.7
181.10088	0.9
187.11159	4.4
192.59491	0.8
195.08044	0.8
206.11203	1.1
208.08865	0.8
209.09598	2.6
209.13380	0.8
221.09581	1.5
221.13301	0.8
222.10420	1.6
223.11177	3.9
223.14754	1.0
231.11678	1.1
233.13263	3.6
235.11136	3.3
236.11996	5.1
237.12717	6.3
246.13963	1.1
247.14680	6.4
249.12743	15.0
250.64810	1.0
251.14331	12.4
261.16306	1.0
264.15082	35.5
279.17435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69201	0.2
51.76727	0.2
52.02536	0.1
56.40275	0.1
57.07051	0.2
63.02393	0.2
69.07063	1.3
70.06590	0.3
72.08154	0.4
85.17967	0.1
86.09721	3.0
89.03917	0.8
103.12346	2.2
111.11746	0.4
117.03367	2.8
129.10243	0.8
129.12845	0.2
135.08061	0.3
145.02858	30.9
147.04507	0.2
149.02377	3.4
149.06018	1.6
163.03900	0.3
176.86247	0.2
177.05476	100.0
220.13356	0.2
223.49382	0.2
256.07230	0.3
262.14398	0.8
279.17047	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	279.1702
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
51.70845	0.5
57.07066	0.5
69.07069	0.6
70.06598	0.6
72.08150	0.9
86.09710	97.4
91.05419	0.5
93.04493	0.6
93.07062	0.9
103.05478	1.0
107.04945	0.7
120.08106	100.0
121.82290	0.6
132.10179	0.7
136.06290	0.6
149.02350	2.5
160.07516	0.8
163.03868	0.8
166.08632	9.1
170.09615	0.9
186.09146	2.6
199.12355	0.7
233.16415	0.9
261.14969	0.6
279.17035	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	279.1593
Annotation	Monooctyl phthalate
Peak:m/z	Relative Intensity
57.07088	20.1
65.12561	0.3
88.08897	0.3
91.96561	0.3
92.18454	0.3
93.68037	0.3
98.96174	0.3
106.77088	0.3
121.02893	1.1
121.03893	0.3
149.02353	100.0
152.81201	0.3
167.03387	1.3
205.08450	0.4
223.09538	0.4
228.64622	0.4
291.34259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1344
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
55.05530	2.3
70.06596	2.0
72.08163	41.4
73.06558	2.6
89.03944	0.8
89.10805	8.0
98.06055	1.9
112.10342	0.4
115.08689	1.0
119.35957	0.5
132.42793	0.4
135.04437	10.7
145.02849	1.8
147.04425	0.8
162.05548	2.9
163.03912	100.0
190.05017	14.6
191.03410	13.3
209.04514	1.9
261.12228	2.1
262.10760	20.7
279.13403	43.9
298.03177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1342
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
55.05515	0.5
56.96563	0.7
57.07081	0.5
57.21939	0.2
57.91603	0.3
58.06616	0.6
67.66204	0.3
70.06596	22.4
72.08161	5.8
84.04525	0.5
89.10795	0.3
89.74943	0.3
91.05482	6.5
98.06055	0.6
107.04949	0.3
114.05533	4.0
116.07094	80.9
119.04943	8.7
121.06528	2.3
121.08836	0.3
131.12982	0.3
132.06842	1.7
132.08112	0.6
135.21132	0.4
136.07585	100.0
137.02333	0.4
144.08060	0.5
145.07603	7.4
146.05984	0.4
147.04420	3.1
149.02379	3.1
157.07639	0.8
158.09651	3.9
160.11186	0.5
168.56526	1.8
172.11191	0.4
183.56921	0.4
184.11313	0.4
189.10266	2.2
190.12300	1.3
192.03590	0.4
192.05424	0.4
197.07123	0.7
198.05470	0.4
203.15445	9.0
215.08180	0.5
216.06680	0.4
219.07593	2.9
219.11093	0.6
220.06110	0.3
233.09311	0.7
233.12999	0.4
233.16530	1.9
234.11320	0.6
244.06155	0.4
247.10815	0.8
249.15894	2.5
256.01785	0.6
261.15988	4.3
262.07880	0.6
262.10678	4.9
270.62036	0.8
270.78583	0.4
279.09821	11.4
279.13425	31.6
279.17010	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	279.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48217	0.7
55.05507	6.7
62.59399	0.6
65.82545	0.7
66.73872	0.8
70.06602	12.2
72.08157	73.8
74.23629	0.7
84.04497	1.8
98.06042	1.4
114.10288	7.8
115.08662	1.4
115.10611	3.2
123.04406	1.6
123.05383	0.7
124.04725	1.0
131.12917	0.9
134.26385	0.8
134.79250	0.9
147.04323	0.8
149.02313	1.7
157.87950	0.8
161.04684	0.9
162.05489	21.9
163.03848	3.2
164.07014	3.1
165.05458	1.0
176.03365	1.0
177.04213	6.3
177.05486	1.0
177.40778	0.8
178.04910	4.0
180.06497	1.3
189.04147	1.9
190.03380	1.3
190.04990	25.3
191.03383	1.9
192.06595	11.0
193.04938	1.0
202.04935	1.4
202.08533	3.8
202.44217	0.9
204.10150	5.0
208.06035	30.0
220.06033	20.6
230.08115	1.3
231.08900	54.3
232.09679	5.7
234.11223	7.7
235.14236	1.0
236.14728	8.3
237.13028	1.0
237.99055	0.8
244.09724	1.4
247.08418	7.0
247.10628	1.3
262.10724	100.0
279.13272	99.4
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
52.27907	0.4
53.69855	0.4
55.05517	2.4
58.05932	0.4
70.06590	3.2
72.08161	41.4
73.06555	3.2
77.29467	0.4
86.09686	0.9
89.03918	0.7
89.10799	9.4
98.06074	2.5
114.10291	0.5
115.08719	0.8
116.66055	0.4
117.03410	0.5
131.12895	1.8
135.04425	10.4
145.02850	2.8
146.05965	0.4
147.04510	0.6
149.02376	4.0
162.05518	2.0
163.03902	100.0
185.54384	0.5
190.04990	16.6
191.03398	15.8
191.05038	0.9
209.04381	3.1
214.96559	0.4
233.12883	0.6
243.11203	0.7
244.09656	0.6
261.12445	3.3
262.10739	24.7
262.13547	1.0
279.13391	59.5
293.08127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0934
Annotation	Triphenylphosphine oxide
Peak:m/z	Relative Intensity
56.91111	0.2
57.15641	0.2
57.33197	0.2
84.29494	0.2
86.71149	0.2
91.98414	0.2
97.05547	0.2
100.78814	0.2
119.82796	0.2
120.31636	0.2
121.78194	0.2
121.79000	0.2
122.88047	0.2
139.04372	0.2
173.05132	0.3
187.97609	0.3
201.04646	19.9
219.05704	26.8
279.09335	100.0
286.08923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
57.07071	0.8
58.06587	0.6
69.03420	0.5
70.06598	14.0
72.08160	14.8
74.06078	0.6
84.04492	0.9
84.08151	2.3
85.02901	1.1
86.09688	1.3
88.80822	0.5
89.10739	0.5
91.05450	0.7
98.06071	1.1
110.07191	2.2
114.05491	0.7
114.10317	1.0
116.07102	11.6
119.04961	1.1
120.08118	0.9
129.10175	0.5
130.06541	3.6
131.12950	0.9
132.04480	3.7
132.06841	17.9
136.07570	13.0
137.02312	1.9
144.08096	2.6
145.07613	71.0
146.05995	6.0
149.02347	8.8
157.07591	9.1
158.06018	7.6
163.03885	3.7
170.06024	2.3
171.09143	6.4
172.07536	7.4
173.07101	3.3
174.05521	3.6
175.08766	3.8
177.05388	3.9
186.09096	0.5
187.08672	0.7
189.10234	21.8
192.06706	0.6
197.07092	8.1
198.05516	7.5
199.08710	3.2
200.07062	0.6
201.06561	3.2
202.05003	3.0
215.08162	12.5
216.06596	7.9
217.09779	0.8
219.07632	27.6
220.06047	1.1
225.06633	2.2
233.09247	8.0
234.11229	0.6
243.07715	3.2
244.06035	4.5
257.78415	0.6
261.08749	6.4
261.12354	0.8
262.07092	5.3
262.10757	3.2
269.43817	0.6
270.62299	1.3
279.09778	100.0
279.13358	12.4
293.16104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	5.8
56.05039	0.8
59.38417	0.3
67.05189	0.5
67.05516	11.2
69.07072	5.1
79.05495	0.6
80.74241	0.4
81.07068	10.7
82.29513	0.3
83.08634	4.4
93.06998	0.5
95.08614	16.7
96.72256	0.3
97.10160	1.8
109.10177	5.9
112.11245	3.4
123.11709	0.6
126.12779	0.5
129.49593	0.3
151.54422	0.3
154.15921	3.6
184.46907	0.4
195.93295	0.4
220.48816	0.4
278.28433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2842
Annotation	PERHEXILINE
Peak:m/z	Relative Intensity
54.78605	0.4
55.05284	0.5
55.05518	6.6
58.70109	0.4
60.27158	0.4
61.08782	0.5
63.57004	0.4
67.05193	0.4
67.05513	11.4
69.07082	5.2
81.07063	13.3
83.08631	5.6
84.45589	0.5
93.07046	0.5
95.08607	16.4
97.10154	0.6
109.10146	7.0
112.11234	3.7
123.11719	0.8
154.15930	3.4
226.50833	0.5
247.56290	0.4
278.28415	100.0
284.28040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.9
57.07071	8.4
67.05512	63.2
69.07071	15.8
71.08597	3.3
71.44093	1.9
79.05499	19.3
81.07063	100.0
83.08643	16.6
86.06102	2.8
91.05473	4.4
93.07055	35.3
95.08611	82.7
97.06550	2.7
97.10152	5.3
98.09654	3.6
100.07616	4.4
105.07020	9.9
107.08615	30.6
109.10166	49.6
114.09190	9.3
117.06979	3.8
119.08572	11.0
121.10142	30.3
123.11710	18.9
128.10764	5.3
131.08556	14.2
133.10132	8.7
135.11739	28.4
137.09665	4.6
137.13269	12.3
139.11212	2.4
142.12302	3.4
145.10115	11.4
147.11699	13.4
149.13281	18.0
151.11171	3.0
151.14763	3.9
159.11699	13.3
161.13252	5.1
163.11185	3.2
163.14806	17.6
165.12735	3.1
170.15385	3.4
173.13255	15.2
175.14847	2.2
177.16367	12.2
187.14748	4.6
191.14415	3.0
196.16882	2.7
221.55122	2.4
223.93150	2.1
233.22516	3.6
243.21057	38.2
248.90974	2.3
261.22113	65.8
261.24799	3.2
278.21948	4.3
278.24765	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2481
Annotation	Obscuraminol A
Peak:m/z	Relative Intensity
55.05520	6.6
57.07075	8.0
58.06641	1.6
67.05514	66.0
69.07066	16.9
71.04924	1.5
71.08644	3.3
72.08120	1.8
79.05512	21.6
81.06603	3.3
81.07069	100.0
81.07545	3.4
82.07411	2.3
83.08626	11.2
85.06564	2.7
91.05478	7.2
93.07062	32.0
95.08614	88.8
97.06528	2.9
97.10182	7.4
99.08102	3.5
100.07642	7.3
105.07040	10.6
107.08590	30.3
109.10162	47.4
111.08053	2.2
113.09692	2.6
114.09160	3.9
115.96420	3.1
117.07011	3.0
119.08588	7.1
121.10131	31.8
123.08032	2.0
123.11728	22.1
126.09212	1.8
131.08575	11.3
133.10162	12.7
135.11703	25.1
136.12064	1.7
137.05994	9.1
137.13240	13.0
138.06326	8.3
140.10724	2.9
142.12276	3.2
142.83282	1.9
145.10114	12.8
147.11693	9.4
149.09642	3.9
149.13245	18.9
151.14835	6.7
156.13803	3.5
159.11703	10.9
161.13239	13.4
163.11176	2.7
163.14815	19.1
165.16345	1.9
172.30298	1.8
173.13142	12.3
177.12810	2.7
177.16449	10.2
179.63522	1.9
182.15349	1.9
187.14838	7.8
191.14395	2.0
205.15993	2.0
233.22685	6.3
243.21106	32.9
261.22119	55.1
261.24796	2.5
278.21890	11.1
278.24734	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95262	0.4
55.68815	0.3
56.05030	2.2
57.07074	2.6
58.06610	5.5
60.04519	0.7
69.35867	0.4
69.52916	0.4
71.08614	1.7
74.06084	3.2
74.73023	0.4
86.06062	6.3
88.07627	9.1
89.05981	0.5
100.07618	0.6
104.07111	4.9
132.10236	3.7
154.15886	0.5
162.11269	3.1
166.10789	3.6
186.18530	47.5
230.21152	14.8
259.71530	0.4
260.22299	0.9
278.23251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2477
Annotation	Obscuraminol A
Peak:m/z	Relative Intensity
55.05508	4.2
56.16535	3.2
67.05511	69.7
69.07069	8.5
71.08640	7.2
79.05492	13.9
81.07063	100.0
83.08614	18.8
85.11015	3.3
86.55739	3.7
89.35671	3.5
90.89064	3.7
91.05497	6.1
93.07047	36.9
95.08613	98.8
99.08099	4.9
100.07658	4.5
105.07040	8.1
107.08597	33.6
109.10151	40.6
114.09138	5.7
115.96461	8.7
119.08599	5.9
121.09360	4.1
121.10134	34.3
123.11711	17.9
131.08583	8.3
133.10104	8.0
135.11682	17.8
137.13257	8.8
144.08098	19.8
145.10156	8.3
147.11681	5.5
149.12173	3.2
149.13254	24.5
154.94182	4.1
156.99236	4.1
159.11678	7.3
161.13290	6.1
163.14822	22.1
170.09666	33.0
173.13219	7.2
177.16365	13.2
184.82336	3.9
187.14880	7.9
188.65808	4.0
191.14392	4.6
223.24687	3.4
243.21126	35.9
261.22125	54.5
278.18771	8.0
278.24820	45.2
278.28665	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	278.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50764	0.3
55.70911	0.4
56.05042	3.0
57.07064	2.5
58.06607	5.6
60.04514	0.8
65.30526	0.3
67.39191	0.4
71.08639	0.8
72.08161	0.7
74.06076	3.2
75.04458	0.4
86.06071	5.7
87.04494	0.4
88.07639	12.2
92.17845	0.5
93.98929	0.4
98.44010	0.3
100.07626	0.7
100.53036	0.4
104.07099	4.3
118.08640	0.5
119.53970	0.4
132.10194	3.1
150.16621	0.4
154.15950	0.5
162.11298	3.1
166.10771	4.1
170.09615	1.6
186.18536	49.0
198.18507	1.6
222.06866	0.4
230.21140	17.1
260.22247	2.6
278.23260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82929	0.3
56.05043	3.0
57.07058	2.1
58.06601	6.9
60.04519	0.6
71.08615	2.1
72.08135	0.5
74.06084	3.7
86.06065	6.1
88.07628	10.4
100.07591	0.9
104.06510	0.4
104.07108	4.4
118.08632	0.6
132.10219	3.5
141.05412	0.4
142.92282	0.4
144.08080	18.6
145.08762	0.6
158.09633	0.6
162.11284	1.7
166.10748	4.0
166.11946	0.4
170.09642	27.8
171.10417	4.8
184.30096	0.4
186.18532	49.2
187.12321	1.7
188.13156	3.7
198.18407	0.5
199.12303	2.1
201.13896	1.0
202.14685	4.4
230.21144	18.8
255.18497	0.4
260.22156	1.7
278.18878	13.7
278.23248	100.0
278.69043	0.5
280.42438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.7
57.07064	2.8
57.07310	0.4
58.06610	5.2
60.04523	0.7
65.81883	0.4
70.06551	0.6
71.08615	2.7
72.08135	0.5
74.06077	3.8
82.82449	0.4
86.06069	5.4
88.07633	10.9
94.82327	0.4
100.07610	0.6
104.07115	3.8
114.09104	0.6
118.08656	0.8
132.10194	2.7
144.08057	2.1
162.11293	1.0
166.10745	4.1
170.09563	3.6
172.16992	0.6
186.18526	48.1
230.21161	16.1
232.17009	0.5
260.22217	2.6
278.23251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.0
58.99595	0.4
60.05647	0.4
60.13696	0.2
67.05528	1.0
69.07079	0.3
70.06604	2.4
70.31602	0.3
72.08170	2.6
76.02212	1.3
79.05479	0.5
81.07065	4.3
82.05292	0.4
83.04856	0.7
84.04511	1.6
84.05177	0.5
84.05638	7.0
84.08135	1.6
85.06059	0.5
85.06550	7.7
86.09707	0.6
86.99083	0.4
93.07033	1.6
95.04952	0.3
95.08587	1.9
96.05622	1.7
96.06850	0.4
96.08144	0.4
97.06522	3.5
98.07188	3.1
105.00111	0.5
109.06546	2.9
110.07176	1.4
111.08081	6.3
113.48130	0.3
114.10353	0.5
122.02737	11.4
123.09138	1.3
127.07561	13.0
129.10280	0.5
131.12973	0.3
138.10278	56.8
139.07547	1.3
139.11086	3.2
150.10262	0.5
155.98595	0.4
157.08615	3.1
164.11845	2.8
172.21161	0.3
178.13271	0.4
219.06238	0.4
222.12401	1.4
232.09653	0.4
232.18044	1.5
234.19560	2.7
242.08440	0.4
247.65640	0.3
260.14832	0.5
261.07852	1.2
278.11069	2.8
278.18649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16440	0.6
55.05515	2.9
62.55796	0.5
63.15104	0.6
70.06593	1.3
72.08170	5.8
73.30853	0.7
80.20139	0.6
80.80481	0.6
84.05647	6.6
84.06911	0.7
84.08124	1.1
85.02885	1.7
93.07024	0.9
96.05623	1.6
96.06852	0.8
98.07184	3.6
105.25087	0.6
110.07150	0.8
131.01878	13.5
132.40497	0.8
138.10280	56.2
139.11078	2.6
148.04503	15.9
148.08699	0.8
163.03903	1.2
164.11876	3.2
176.08107	1.2
214.05551	2.8
231.06540	1.1
232.18112	1.0
234.19757	1.2
242.88763	0.7
250.10580	0.9
260.06119	3.7
278.10287	3.0
278.18646	100.0
280.68918	0.8
296.99048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66213	0.3
52.56973	0.4
52.65266	0.3
53.75826	0.3
55.05514	0.5
63.67886	0.4
70.06585	0.4
74.24330	0.4
78.34083	0.4
83.04851	0.6
84.05634	7.3
84.08110	1.5
88.55741	0.4
95.08591	1.6
96.05610	1.8
96.06876	0.9
98.07166	4.2
98.07763	0.7
99.85049	0.4
110.07173	0.8
123.09173	0.4
137.83116	0.4
138.10271	54.2
139.11014	4.1
150.10194	0.4
153.01218	0.4
153.24086	0.4
155.58470	0.4
164.11827	2.2
222.12564	0.6
224.13928	0.6
232.18040	1.9
234.19594	2.4
257.54141	0.5
278.18637	100.0
292.78455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.2
58.11284	0.5
58.23333	0.6
62.11646	0.5
69.66536	0.6
70.06588	2.6
72.08163	7.5
74.27341	0.6
81.18451	0.5
84.04504	1.3
84.05647	7.0
95.08614	1.3
96.06814	0.9
98.06053	2.2
98.07191	2.6
105.90724	0.5
110.07201	0.8
114.10268	0.9
115.77908	0.6
138.10269	53.7
139.11043	2.6
157.10841	0.8
160.60077	0.7
162.05489	4.0
164.11848	1.4
171.54475	0.6
190.04962	1.2
222.12302	0.8
224.13876	0.7
232.18045	0.7
234.19685	2.3
278.18628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.2
58.06608	20.2
59.07146	0.5
59.07388	8.3
60.08184	6.5
61.02920	0.7
67.05500	0.6
69.03436	0.7
70.06584	0.9
72.08147	0.8
74.46763	0.5
75.04467	0.8
77.65220	0.4
81.03408	0.5
81.07047	1.0
84.04496	1.1
84.08134	3.6
85.02908	4.5
86.06051	1.7
86.09695	2.4
87.04471	4.9
92.18150	0.8
97.02865	0.6
97.06539	0.7
98.06051	2.9
99.04448	0.9
102.05550	1.9
104.07125	0.6
112.07585	1.0
113.06021	0.9
114.05549	0.6
116.07102	2.0
117.04665	1.0
117.05495	27.4
127.08643	0.9
129.10179	0.5
130.08615	0.7
131.06975	0.6
139.03912	0.9
139.07526	0.5
140.07013	0.6
144.09100	0.9
144.10202	21.2
146.06042	0.8
148.04512	1.0
152.07083	0.9
158.99631	0.6
162.11237	3.3
173.08063	1.1
175.08902	0.7
200.12895	0.8
214.05072	0.8
214.14410	4.4
218.13884	0.8
236.14922	50.4
242.13824	0.6
255.00105	0.6
260.14929	43.8
278.12656	5.8
278.15973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30093	0.4
55.05493	2.0
58.87069	0.4
70.06581	1.0
72.08166	21.9
73.04048	1.2
84.04498	3.1
97.07671	7.4
98.06059	7.0
112.09991	0.8
113.10767	5.3
114.10301	69.3
115.08699	19.9
123.04439	33.7
130.05011	0.9
137.06006	0.6
140.33749	0.5
156.11330	0.9
158.73083	0.4
165.05469	8.4
181.57411	0.5
235.14421	95.5
236.12822	9.7
261.12341	2.0
278.15005	100.0
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	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.92833	1.9
53.03951	4.7
53.26985	2.3
55.01886	3.8
55.05511	14.8
57.07077	8.9
66.31582	2.5
67.05521	32.3
69.07083	23.7
71.08634	12.3
79.05515	27.0
81.03435	32.8
81.07066	42.4
81.31352	2.5
83.04974	10.1
83.08614	4.7
90.66238	2.4
91.05480	15.0
93.07046	46.0
95.04965	24.5
95.08624	20.2
97.10153	4.5
99.08096	4.3
105.07045	18.1
107.08595	20.2
109.06504	5.1
109.10160	11.1
119.08569	10.7
120.81668	2.1
121.10127	10.1
123.11707	3.3
125.09645	3.0
131.08545	4.2
133.10141	18.0
135.11703	13.1
143.08594	2.7
146.82416	2.3
147.11716	15.8
149.13260	5.4
151.11209	24.3
157.10143	3.2
159.11865	2.4
161.13280	9.9
165.12770	11.3
171.11664	2.8
173.13289	2.2
175.14874	2.5
179.14281	4.1
193.12306	2.7
231.21172	9.1
235.17001	12.3
239.32671	2.4
241.19572	3.0
249.22141	2.7
259.20651	12.1
277.18182	10.0
277.21625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	10.7
66.28670	8.4
67.05523	22.3
69.07080	15.6
79.05521	16.2
81.03426	41.5
81.07057	21.4
87.28759	8.1
89.06834	8.2
91.05443	9.5
93.07053	37.5
95.04980	20.5
95.08598	11.6
107.08632	16.5
109.10146	10.6
119.08549	10.3
147.11699	10.8
151.11157	21.0
154.31651	9.7
179.10756	11.2
235.16930	100.0
273.71719	10.2
277.18036	47.6
277.21613	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	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.43930	1.4
55.01867	6.9
55.05513	7.4
55.32056	1.6
57.07081	2.2
67.05520	19.8
69.07069	9.3
71.08640	13.1
71.94292	1.6
79.05500	21.7
81.07063	29.5
83.04969	2.6
83.08625	6.8
85.10236	1.9
87.96998	1.7
91.05486	10.7
93.07051	36.0
95.04974	4.0
95.08623	14.4
97.06477	5.7
99.08089	11.7
105.07017	9.3
105.67532	1.9
107.04932	2.8
107.08611	20.5
109.10153	11.4
111.08112	3.8
117.06990	3.6
119.08562	10.4
120.32655	1.8
121.10154	13.3
131.08595	2.8
133.10135	8.8
135.11705	19.4
136.49205	1.8
145.10136	7.3
147.11681	10.4
149.13261	9.2
151.11172	7.4
153.12808	2.4
161.13234	10.7
161.55429	1.8
163.11185	10.2
163.14905	2.9
165.12791	3.9
171.11687	2.8
175.14769	2.3
179.14302	2.9
207.13788	3.3
220.76535	1.9
221.15253	2.1
231.20963	2.4
237.06400	1.8
241.19456	3.4
259.20593	10.7
277.21649	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	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.01505	1.8
55.05518	11.5
57.07056	2.2
62.13485	2.7
67.05511	27.6
69.07067	13.1
71.08638	36.1
79.05495	36.6
81.07064	39.0
83.04989	3.1
83.08611	5.1
85.29386	2.2
85.42116	2.4
91.05502	16.7
93.07044	74.0
95.04977	5.4
95.08611	30.6
97.06512	3.3
97.10169	2.2
99.08091	16.3
103.02155	2.2
105.07035	16.0
107.08606	44.0
109.10164	10.7
119.08567	17.3
121.10139	44.0
128.29504	3.1
131.08565	4.8
133.10152	5.5
135.11697	54.4
142.40158	2.2
145.10143	4.2
147.11700	4.3
149.13266	13.4
151.11183	13.9
161.13309	9.3
177.12801	2.4
179.14311	30.1
181.12221	2.2
185.13306	2.6
197.28474	2.2
221.15326	4.0
235.16954	9.9
241.19670	2.4
259.20502	4.8
277.18457	5.6
277.21619	100.0
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	Stearidonate
Peak:m/z	Relative Intensity
55.05509	13.5
67.05246	1.8
67.05515	28.6
69.07075	15.7
71.08636	32.1
75.23402	1.8
75.41189	1.8
78.35687	2.1
79.05502	36.8
81.06686	2.1
81.07072	42.7
83.08599	3.6
91.05515	14.8
93.07055	65.0
95.08614	30.4
97.06545	3.1
99.08092	12.1
105.07032	12.0
107.08605	45.5
109.06550	2.3
109.10168	9.1
119.08534	8.4
119.39896	2.2
121.10164	46.7
133.10129	13.2
135.11699	50.6
141.09140	2.9
147.11676	3.9
149.13263	14.8
151.11209	9.7
161.13249	3.4
163.11111	2.2
163.14674	2.0
179.14323	40.9
197.63982	2.0
277.21643	100.0
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	Stearidonate
Peak:m/z	Relative Intensity
55.05524	16.7
57.07088	2.3
67.05518	22.9
69.07086	15.9
75.15778	1.8
79.05507	51.3
81.07081	29.4
83.08627	8.9
91.05484	11.8
93.07051	91.2
95.04974	4.0
95.08617	19.8
97.10133	2.8
105.07012	10.1
107.08601	57.2
107.19331	1.9
108.04781	1.9
109.10161	12.4
117.07004	2.8
119.08546	6.7
121.10153	48.2
131.08568	3.9
133.10121	11.8
135.11699	46.0
143.08537	3.3
147.11681	9.8
147.12828	2.0
149.13274	17.4
161.13208	4.5
163.14810	3.2
173.13181	3.1
185.13278	2.7
221.15369	2.9
235.16962	9.3
277.21634	100.0
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	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.41941	1.2
51.86301	1.2
53.03940	1.6
55.05523	10.4
57.07089	2.5
57.11535	1.1
59.14111	1.2
61.14952	1.2
61.25683	1.3
66.66798	1.2
67.05185	1.5
67.05515	22.3
69.07083	14.9
71.01730	1.2
72.75311	1.3
79.05503	47.9
81.07079	26.4
83.04976	1.7
83.08620	8.5
91.05495	11.7
93.07056	73.9
94.48855	1.4
95.04996	2.6
95.08165	1.2
95.08624	19.4
97.06509	2.6
97.10171	5.2
105.07035	11.6
107.08607	41.4
109.06552	2.2
109.10165	11.6
117.07063	1.6
119.08568	9.4
121.10159	44.3
123.11713	3.4
131.08559	2.0
133.10159	10.2
135.08121	2.0
135.11703	49.0
137.05991	2.0
145.10075	2.3
147.11722	12.2
149.13268	24.4
154.17365	1.6
159.11789	2.5
161.04230	1.6
161.09772	1.5
161.13272	5.8
163.14861	1.5
165.12724	2.0
171.11603	2.1
175.05724	1.7
177.16406	1.4
181.12199	2.4
185.13185	1.7
195.13782	1.6
206.17786	1.5
207.13853	1.5
213.08032	1.5
213.16405	1.7
221.15340	2.0
235.16901	6.6
259.20621	2.7
277.16196	9.6
277.18521	3.3
277.21625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2166
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05513	3.8
57.03434	2.0
57.07099	2.1
57.25468	1.9
64.75436	2.2
67.05518	23.5
69.07066	12.4
71.08644	4.5
73.06504	2.3
79.05504	27.3
81.07072	36.2
83.08638	5.5
88.59440	2.1
91.05485	9.4
93.07045	40.5
95.04953	4.1
95.08604	21.1
97.06531	2.4
97.10210	3.6
105.07045	12.2
107.08600	28.6
109.10113	9.0
110.01292	2.3
117.07020	5.0
119.08590	9.2
121.10160	28.0
133.10139	13.4
135.11720	34.7
137.95508	3.2
145.10139	9.4
147.11711	5.5
149.01219	2.7
149.13283	15.0
151.11189	2.5
159.11746	4.2
161.13254	9.3
163.11157	3.2
185.13290	4.1
201.16263	2.3
225.99507	2.3
235.17006	5.0
259.20654	5.3
277.00467	2.3
277.21631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1801
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
55.01887	4.3
55.05524	4.9
56.97710	2.3
63.24832	3.3
67.05530	20.6
69.07061	16.0
71.96776	2.8
79.05507	21.3
81.03436	3.8
81.07067	54.8
83.08612	18.4
85.06551	5.0
91.05463	11.6
91.95145	2.7
93.07038	34.7
95.04971	12.8
95.08603	19.5
97.06532	4.9
105.07043	14.2
107.04972	13.5
107.08598	20.9
109.06522	11.8
109.10156	4.4
111.08092	5.5
117.06920	3.8
119.08598	26.9
121.06512	11.6
121.10200	10.3
123.08129	4.5
129.07010	5.1
131.08569	6.0
133.10161	6.8
135.08087	6.8
135.11696	3.3
139.07545	5.0
143.08534	4.8
145.10162	6.4
147.08017	34.1
147.11713	4.7
149.09596	23.3
157.08539	3.8
157.10104	5.0
159.11778	3.7
161.09613	12.6
161.13318	5.1
162.26520	2.6
163.11110	4.1
165.09158	5.6
173.09682	3.7
190.26157	3.2
213.16362	5.9
231.17438	11.8
234.04579	4.3
235.17043	5.7
241.15826	3.7
259.16959	31.8
277.08273	3.5
277.18030	100.0
277.21631	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	277.1799
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
55.01872	2.2
55.05510	2.7
57.07087	0.8
61.51532	0.4
66.79533	0.4
67.05508	4.9
69.07068	5.2
79.05505	6.3
81.06603	0.9
81.07066	21.3
83.04986	1.8
83.08621	3.0
85.06526	0.7
85.07838	0.4
91.05470	2.4
93.07043	9.2
93.24906	0.5
95.04934	0.5
95.08619	8.0
97.06526	0.6
99.08079	1.6
105.07029	3.2
107.08587	8.9
109.06536	7.6
109.10174	4.4
111.04440	12.5
113.34807	0.5
113.51267	0.4
113.88770	0.5
119.08620	3.1
121.10144	7.0
123.08061	0.8
123.11706	1.1
125.06006	2.5
131.08562	1.6
133.10114	4.4
133.97426	0.5
135.08066	2.5
135.11700	11.1
137.05984	100.0
137.13235	0.9
139.07512	0.4
143.08582	0.6
145.10132	1.9
147.08025	0.6
147.11697	5.9
149.09595	2.7
149.13264	9.6
151.07564	2.5
151.11194	0.9
157.10136	0.8
159.11681	0.7
161.09610	4.5
161.13258	2.3
163.11191	2.4
163.14859	0.7
165.09114	0.7
171.11642	0.6
173.13185	0.6
175.11166	3.4
177.12758	0.7
179.10687	0.5
189.12704	0.6
189.16405	0.5
193.12296	0.7
203.17923	4.6
213.16463	2.2
221.19153	0.9
223.32686	0.6
231.17410	6.3
235.16859	0.7
249.18459	5.0
259.20584	0.8
277.18033	17.4
277.21637	11.7
277.25238	3.7
277.28156	0.7
295.19107	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	277.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11518	0.3
55.01877	1.8
55.05511	3.1
57.07073	1.6
59.85466	0.3
66.01985	0.3
67.05511	4.7
69.07081	2.9
69.07374	0.3
71.05013	0.3
71.08627	1.5
79.05503	4.5
81.06605	0.6
81.07066	16.0
83.04992	1.4
83.08617	2.3
85.06524	0.6
88.07643	0.3
91.05490	1.4
93.07048	6.3
95.04945	0.4
95.08614	5.6
97.06514	1.2
97.10184	0.4
99.08086	0.3
105.06370	0.3
105.07006	2.3
107.08594	5.0
109.06520	8.0
109.10172	3.2
111.04448	12.5
111.08062	0.4
117.06988	0.5
119.08577	3.8
121.10149	6.5
123.08115	1.1
123.11708	1.4
125.05974	2.8
131.08565	1.6
133.10117	4.3
135.08063	2.4
135.11691	4.6
137.05983	100.0
137.13260	1.5
139.11008	0.4
143.08449	0.4
145.10129	1.9
147.08020	0.7
147.11681	4.7
149.09639	3.4
149.13258	1.7
151.07539	2.0
151.11185	1.7
157.10124	1.4
159.11684	0.7
161.09592	4.7
161.13264	2.8
163.11194	2.6
163.14830	0.4
165.09131	1.7
165.12674	0.5
167.10724	0.6
171.11707	1.5
173.13344	0.4
175.11104	2.6
175.14786	1.4
177.12614	0.4
179.10690	1.9
181.12242	0.4
185.13316	0.5
189.12686	1.3
193.12273	0.6
203.17947	4.9
213.16435	1.9
217.19576	0.4
218.19815	0.4
221.19067	0.7
223.14868	0.5
231.17441	6.8
235.17010	0.8
236.21001	2.0
241.15913	0.5
241.19603	0.4
249.18527	5.9
259.20569	2.7
277.18039	15.3
277.21622	9.6
277.28210	5.9
295.16107	0.4
295.19116	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.18
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
52.55330	0.4
55.01869	3.2
55.05523	4.4
56.00173	0.4
57.07081	0.5
61.40116	0.4
67.05514	7.7
69.03429	0.4
69.07083	6.5
71.08627	1.9
75.59283	0.4
79.05499	8.2
81.06605	0.9
81.07068	21.5
83.04992	1.9
83.08625	2.5
84.06770	0.4
85.06505	0.8
91.05492	2.5
93.07050	11.2
95.04971	0.4
95.08605	7.7
96.95211	0.4
97.06530	2.0
97.10147	0.4
99.08092	0.8
99.56711	0.4
105.07039	4.0
107.08601	9.0
109.06528	8.6
109.10156	4.0
111.04447	12.1
111.08078	1.9
114.33444	0.4
116.93488	0.5
119.08574	4.1
121.06464	0.6
121.10159	5.6
123.08098	2.2
123.11732	0.7
123.85184	0.5
125.06013	2.3
125.09650	0.8
131.08569	2.3
133.10158	6.2
135.08049	0.8
135.11705	6.6
135.47238	0.5
137.05991	100.0
137.13263	1.7
143.08597	0.8
145.10106	2.2
147.08060	1.7
147.11684	6.6
149.09656	2.7
149.13223	3.1
151.07578	2.6
151.11237	2.0
153.12709	0.6
157.10120	1.6
159.11644	0.6
161.09628	5.4
161.13277	3.5
163.11165	3.6
163.14867	1.9
165.09138	2.1
165.12717	0.7
167.88174	0.4
171.11769	0.8
175.11246	2.6
175.14825	0.7
177.12770	0.4
179.10683	2.2
179.14363	1.0
181.31168	0.4
185.13298	0.7
189.12782	0.9
189.16310	0.5
191.10773	0.5
193.12251	0.8
201.63127	0.4
203.17987	3.9
213.16411	1.1
218.67751	0.5
221.15454	0.5
221.18927	0.8
231.17493	5.4
235.17134	0.6
237.04034	0.5
241.16098	0.5
241.19312	0.7
249.18579	6.7
259.20612	2.4
277.18036	16.6
277.21640	17.7
295.18970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64928	0.2
58.06614	0.3
60.05653	0.4
66.15889	0.2
66.67109	0.2
70.06598	7.0
75.32432	0.3
84.05634	0.6
88.07659	0.3
88.44981	0.3
101.07152	1.3
103.05476	3.8
112.08760	3.0
113.07133	2.4
129.11372	2.8
130.09776	1.4
131.04936	100.0
134.95085	0.3
148.07607	0.4
171.38512	0.3
176.75981	0.3
188.10764	1.9
200.10728	12.0
217.13400	0.7
218.11790	0.5
241.14449	0.7
243.11282	6.6
252.38002	0.3
259.15503	4.0
260.13882	4.5
277.16605	41.7
297.84308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
60.05657	6.0
60.07460	0.6
60.64556	0.5
72.08164	18.9
89.10774	1.5
91.05473	1.2
91.74372	0.6
92.17860	0.9
97.07645	4.0
98.06052	2.7
103.05472	14.6
114.10295	38.3
115.08685	5.8
121.06459	1.0
131.12924	11.8
140.08165	4.2
146.06003	4.6
147.04419	100.0
175.86989	0.7
200.10718	22.1
217.13379	3.9
218.11761	12.6
242.12796	0.9
243.11266	5.0
259.15570	15.6
260.14032	1.4
277.16583	64.2
281.63354	0.7
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
57.67066	0.1
60.05648	1.2
64.05477	0.1
67.57018	0.1
72.08166	3.4
89.10783	0.6
91.05478	0.4
91.35915	0.2
97.07654	0.9
98.06065	0.7
104.12284	0.2
114.10297	18.4
115.08694	5.0
115.09426	0.3
119.04943	3.0
124.68067	0.2
131.12933	2.2
137.71745	0.2
147.04420	100.0
157.10834	0.4
200.55978	0.2
213.63757	0.2
217.13376	7.9
218.11774	9.8
218.15068	0.3
235.14423	1.1
246.60454	0.2
260.13959	8.0
260.16644	0.3
277.16605	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	277.1659
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
55.05519	0.5
60.05661	5.8
60.54283	0.3
60.58409	0.4
61.08841	0.4
67.80370	0.4
72.08162	16.1
89.10800	1.8
91.05476	0.8
92.12228	0.4
97.07669	4.2
98.06058	2.9
103.05474	14.6
114.10292	42.3
115.08690	5.8
121.06522	1.7
128.50084	0.4
131.12927	14.7
137.57419	0.4
140.08199	3.2
146.06042	5.7
147.04416	100.0
157.10857	0.7
190.08742	0.4
200.10703	25.0
217.06995	0.7
217.13408	4.9
218.11780	15.5
242.12933	1.8
243.11356	5.4
259.15543	18.1
260.13974	2.7
277.16589	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34468	0.2
60.05650	0.8
63.44075	0.2
72.07801	0.3
72.08167	4.4
73.04031	0.2
81.22066	0.2
89.10790	1.0
91.05478	0.4
97.07659	0.9
98.06078	1.0
114.10297	17.0
115.08704	5.0
119.04958	2.6
131.12924	1.9
147.04417	100.0
147.63019	0.2
157.10829	0.2
217.13356	7.8
218.11761	9.9
235.14444	0.7
260.13943	7.2
277.16595	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28039	0.5
60.05620	2.5
66.59003	0.5
70.06558	1.0
72.08168	9.5
82.06590	8.7
89.10760	0.6
91.05462	0.6
95.49967	0.5
97.07615	0.6
98.06044	0.9
108.08099	2.6
114.09133	0.9
114.10298	24.2
115.08681	2.5
119.04952	4.3
129.61903	0.5
131.12936	6.3
146.07111	1.2
147.04414	100.0
157.10851	0.5
170.09601	0.5
198.12849	3.2
200.11864	2.7
216.13914	1.1
217.13416	4.9
218.11707	5.8
259.15543	16.5
260.13962	6.3
263.19034	0.5
266.62170	0.5
267.90100	0.5
277.16653	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	277.1663
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
50.22532	0.2
54.45271	0.2
56.79518	0.2
59.48987	0.2
60.05665	0.4
62.65560	0.3
70.06596	8.6
71.68614	0.3
72.08146	0.5
81.93327	0.3
84.05634	0.3
87.09229	0.5
88.07632	2.1
101.07141	2.6
103.05473	5.8
105.10274	1.6
108.76429	0.4
112.08733	2.2
113.07130	3.0
114.10279	0.5
129.11378	2.9
130.06522	0.4
130.09755	4.2
131.04930	100.0
131.12924	1.5
147.04369	1.1
164.36317	0.3
166.11574	0.3
188.10683	1.1
190.04486	0.3
200.10704	10.0
217.13373	1.3
218.11746	0.5
243.11304	5.5
245.16539	0.3
259.15543	3.5
260.14001	3.7
277.16586	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	277.1662
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
50.64339	0.4
54.41221	0.3
57.02023	0.4
60.05648	2.4
66.12128	0.4
72.08161	5.5
73.78526	0.4
84.41010	0.4
85.63780	0.5
89.10799	0.8
91.05472	0.7
92.17669	0.4
97.07648	0.7
114.10291	24.4
115.08701	2.9
119.04954	4.8
131.12923	5.8
147.04408	100.0
217.13370	5.6
218.11757	6.5
235.64313	0.5
235.81900	0.4
257.96402	0.4
260.13928	7.1
277.16583	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45865	0.2
58.06606	0.4
60.05628	0.3
65.61224	0.2
69.12408	0.2
70.06229	0.3
70.06596	6.3
81.16973	0.2
83.63166	0.2
87.11719	0.2
88.07631	0.8
95.62185	0.2
101.07133	1.2
103.05466	4.9
107.97033	0.2
112.08745	2.6
113.07104	1.6
121.72146	0.2
129.10484	0.2
129.11331	1.8
130.09758	1.3
131.04929	100.0
147.98836	0.2
148.07564	0.2
157.10658	0.2
188.10710	1.2
200.10698	12.4
217.13364	1.0
218.11887	0.3
233.39819	0.2
235.14392	0.3
241.14571	0.5
243.11287	6.6
259.15530	3.8
260.13950	5.1
277.16583	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07121	0.3
66.23085	0.3
70.06579	1.4
72.08132	0.4
87.09229	2.5
92.84605	0.3
109.33954	0.3
118.30178	0.3
120.08110	0.5
126.01522	0.3
134.06000	0.3
136.07578	0.4
144.08035	0.4
146.06001	1.3
148.07616	0.4
150.09195	0.5
153.46210	0.3
160.07578	7.3
161.08319	2.1
163.37079	0.3
166.61243	0.3
174.09073	3.0
175.09879	0.5
176.10683	1.8
186.09132	9.7
187.09958	4.3
188.10701	0.6
190.12238	0.7
200.10632	2.6
202.12402	7.4
202.61523	0.3
203.15469	1.3
205.07329	4.1
206.08047	0.3
213.07860	1.4
214.08626	2.1
217.13397	4.4
218.14183	3.6
220.09714	7.3
228.10179	2.8
231.11261	0.4
232.09735	2.7
233.16423	2.4
234.11179	1.3
234.98914	0.6
246.11224	5.4
259.14453	0.7
262.13092	2.4
277.00186	0.5
277.15472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1549
Annotation	Cyclo-(Leu-Tyr)
Peak:m/z	Relative Intensity
55.11190	0.5
70.06576	2.2
72.08145	1.3
73.93150	0.6
81.07060	0.7
84.08121	0.5
87.09225	2.9
93.94601	0.5
94.18191	0.6
103.00478	0.5
109.03627	0.6
113.10752	0.5
127.07568	0.6
128.07300	0.6
130.24309	0.6
146.05956	0.8
147.04416	2.8
147.87318	0.6
148.07552	0.6
160.07564	6.2
161.08363	0.7
174.09103	2.3
175.09763	0.6
176.10687	1.1
177.05493	0.8
184.28732	0.6
186.09137	9.4
187.09917	4.1
199.08752	0.8
200.10646	0.8
202.12372	6.5
205.07300	3.5
213.07932	0.6
214.08693	0.8
217.09795	0.7
217.13408	4.8
218.14104	2.8
218.96164	0.5
220.09692	6.6
228.10208	2.7
232.09711	2.7
233.16515	2.8
234.11304	0.9
234.86624	0.6
234.98917	2.3
235.16933	2.3
245.09283	1.1
246.11232	4.1
262.13113	2.7
277.00064	2.5
277.12430	3.6
277.15472	100.0
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
55.01913	6.9
58.37985	5.3
60.56464	5.6
73.42617	5.9
84.04517	14.6
84.08150	77.1
97.02885	26.0
101.00908	11.3
102.05550	7.9
103.00639	27.8
108.78527	6.1
112.07578	7.1
119.01915	28.6
120.96323	7.7
121.01685	100.0
127.02510	9.1
129.02251	9.9
130.05025	8.2
130.08655	13.3
132.95839	33.8
138.05515	25.1
139.02713	9.0
139.05836	36.5
143.01917	15.7
144.06651	8.2
145.03505	45.1
147.03247	41.2
147.11465	6.6
149.11794	8.0
155.01869	24.5
157.03542	7.0
158.97408	15.2
161.02922	46.4
161.04750	49.2
170.97389	9.8
171.01369	12.3
173.02893	22.1
174.96890	7.5
176.98444	7.9
186.96956	6.7
189.03688	12.2
190.03845	32.0
191.02193	12.0
194.89757	6.4
198.96910	11.6
205.02917	25.9
210.97020	9.8
212.99733	14.8
213.12262	11.3
216.97859	9.5
217.01956	39.4
231.00768	94.0
234.99054	39.9
245.05208	7.3
276.99997	35.3
277.03165	92.3
277.08182	12.9
277.10690	47.7
277.15710	15.8
295.03113	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	276.2324
Annotation	Lanyuamide III
Peak:m/z	Relative Intensity
55.05508	7.0
56.85140	1.2
57.03428	1.2
57.07078	2.0
67.05516	16.3
69.07046	6.0
74.14661	1.3
75.04985	1.1
79.05070	1.8
79.05500	29.9
81.07064	31.0
83.08595	7.6
86.06053	2.3
91.05463	14.6
93.07051	48.8
95.08157	1.2
95.08616	24.9
97.10183	1.8
97.71552	1.3
100.07618	6.4
105.07027	17.5
106.07326	1.6
107.08606	34.9
109.10170	11.7
111.08053	2.1
113.96394	2.0
114.09212	2.3
117.07013	2.9
119.08578	24.2
121.06468	1.6
121.10144	36.4
123.08044	1.9
123.11703	2.3
126.09140	1.8
129.07042	1.7
131.08551	7.8
133.10143	30.7
134.10411	2.2
135.08119	1.9
135.10724	2.2
135.11697	46.0
137.09644	2.2
140.10738	1.9
143.08566	1.9
145.10107	9.2
147.11693	29.4
149.03191	1.3
149.09596	3.5
149.13257	25.0
157.10158	5.9
159.11743	13.2
161.13246	29.1
163.11169	3.1
163.14778	12.9
171.11670	8.5
173.13252	9.8
175.11172	2.9
175.14825	23.9
177.12755	3.0
177.16335	2.1
185.13222	8.0
189.12680	5.1
189.16431	1.6
194.15379	1.6
199.14748	2.9
203.14270	2.2
213.16286	1.5
215.17990	2.0
217.19498	3.4
220.17003	2.0
231.21089	6.4
241.19528	27.2
259.20566	46.5
276.20422	10.7
276.23209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1597
Annotation	Rolipram
Peak:m/z	Relative Intensity
57.07064	1.5
73.28418	0.2
84.04479	0.4
91.05467	0.4
101.17526	0.3
105.07010	0.3
112.80232	0.2
128.41154	0.3
146.06012	2.0
147.11737	0.3
150.15062	0.3
160.07631	0.5
188.07152	0.5
202.12276	6.0
220.09694	6.4
246.11385	0.3
258.19272	0.4
260.12796	1.8
261.13574	4.3
276.15945	100.0
276.20148	2.5
277.12164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1556
Annotation	H-Glu-Lys-OH
Peak:m/z	Relative Intensity
55.01881	0.7
58.06610	0.6
60.05653	10.6
60.08157	1.0
67.05507	0.8
69.07090	0.6
70.08560	0.5
71.04974	0.6
72.08148	1.0
83.42104	0.6
83.46301	0.7
84.04504	0.7
84.05630	23.0
85.06387	0.8
86.09710	1.3
95.04927	1.0
97.06533	1.6
109.10136	0.7
122.07117	3.4
124.08683	1.2
137.09634	14.7
138.05486	1.1
141.01245	2.3
154.12257	2.5
175.26900	0.8
176.11862	5.6
183.11278	3.4
185.06264	0.8
194.12933	11.2
196.14499	1.2
200.08533	12.5
212.14014	7.0
221.25488	0.6
230.13879	2.8
235.45535	0.7
240.13396	10.1
244.07524	0.9
253.00023	0.7
258.14481	15.4
276.10229	5.7
276.15552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35163	0.4
66.39176	0.4
72.08160	4.9
73.04018	0.6
74.22923	0.4
79.05429	0.5
84.57518	0.5
90.69763	0.5
93.17854	0.4
97.07612	2.0
98.06026	0.6
112.56441	0.5
114.10296	47.9
115.08688	7.7
117.03417	0.5
121.77848	0.5
129.11992	0.5
135.04414	2.9
145.02838	3.9
162.05417	1.0
163.03906	66.9
192.10210	2.7
192.92216	0.5
233.12852	100.0
234.11198	2.4
276.13440	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1083
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
53.58379	0.2
54.69008	0.3
55.01908	0.3
60.04528	1.1
60.05647	0.6
61.60887	0.2
67.62417	0.3
69.03436	0.6
69.45656	0.2
70.06580	1.2
71.04997	0.4
72.04521	0.4
72.08161	0.3
80.05002	0.5
81.03413	1.8
83.04981	0.4
84.04517	7.8
84.05638	3.9
84.08142	0.5
85.02900	0.5
96.03908	0.4
96.04498	9.2
97.02898	3.0
98.06064	8.4
99.04474	1.2
102.01018	0.3
109.02888	4.0
110.34711	0.3
114.05556	0.5
119.01920	0.5
120.02029	1.5
126.05523	21.3
126.26528	0.3
127.03934	2.4
130.05022	1.5
136.71034	0.3
137.09570	1.1
138.05511	100.0
140.07011	0.4
144.06573	24.1
144.10236	0.4
146.03658	0.5
147.07732	1.0
158.22722	0.3
160.05199	1.1
168.06569	14.7
176.11880	0.4
186.07613	11.6
188.04692	0.7
189.03500	2.1
190.02721	0.4
194.12901	0.5
200.08565	0.5
202.01648	0.3
228.92302	0.3
240.13474	0.6
258.14368	0.6
276.02707	0.3
276.10745	8.2
276.15533	8.1
276.18610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39552	0.2
53.28029	0.2
54.80264	0.2
55.01903	0.2
55.15550	0.3
56.05060	0.2
58.36304	0.2
60.04554	1.4
63.05626	0.3
67.05551	0.3
69.03444	0.7
70.06613	0.6
71.04996	0.5
72.08180	1.0
80.05038	0.5
81.03426	2.9
82.06661	0.3
83.05001	0.4
84.04510	6.7
84.05650	0.4
84.08188	0.3
86.09721	3.4
96.04486	9.6
97.02896	2.7
98.06055	8.3
99.04445	1.9
106.03779	0.3
108.04514	0.3
109.02879	3.6
114.05507	1.1
124.04085	0.3
126.05513	22.0
127.03912	2.2
138.05507	100.0
140.07112	0.4
143.11771	3.0
144.03239	0.6
144.06560	22.1
159.04807	0.3
168.06551	14.7
171.11224	0.5
186.07620	12.4
193.04663	2.7
217.04720	23.3
232.10550	4.0
276.09467	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.3
55.01882	0.3
56.05026	0.4
60.04517	1.5
63.77010	0.3
67.27718	0.3
69.03430	0.7
80.05016	0.7
81.03413	1.9
84.04510	6.9
96.04491	8.7
97.02888	3.2
98.06055	7.7
99.04443	1.5
101.02374	0.4
109.02893	4.6
114.05569	0.4
124.03955	0.4
126.05524	20.7
126.06470	0.8
127.03918	2.1
138.05508	100.0
144.06566	26.1
168.06560	16.1
186.07611	13.3
217.04703	1.3
228.53293	0.3
243.22264	0.4
276.10724	5.4
276.14224	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1071
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
53.03951	0.3
56.05029	0.5
60.04518	1.7
60.89375	0.3
69.03421	1.2
70.06588	1.3
71.04994	0.4
72.08154	1.3
74.06070	0.5
80.05009	0.5
81.03414	1.6
81.04547	0.6
83.04952	0.5
84.04513	8.1
84.08160	0.6
85.02914	3.8
86.09708	3.5
96.04500	9.1
96.35786	0.4
97.02917	3.0
98.06064	8.7
99.04459	1.3
104.07080	0.4
106.03759	0.4
109.02910	4.2
110.07201	0.4
114.05502	0.5
117.02161	0.5
120.08115	0.6
126.05518	20.1
127.03938	2.0
129.02159	16.7
129.10228	0.5
130.04993	0.5
138.05508	100.0
143.11833	2.4
144.06560	25.3
144.80019	0.3
145.09807	0.4
146.03636	0.8
146.04805	22.4
157.52486	0.4
166.05046	0.4
168.06563	16.2
173.12878	1.4
176.08221	2.1
186.07632	12.4
193.04762	2.4
212.05853	6.1
217.04726	17.7
232.10536	2.8
258.06470	6.0
276.05075	0.4
276.09787	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	276.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16704	0.5
53.74570	0.7
54.65978	0.6
54.75881	0.6
57.02369	0.6
58.06606	7.1
59.07378	2.9
60.05633	0.6
60.08168	17.3
60.55846	0.6
69.07067	1.6
70.06578	1.1
72.08141	3.4
82.02932	1.5
82.49852	0.7
84.04504	1.5
84.08105	0.7
85.02922	0.8
86.09683	1.5
87.04466	1.6
88.03976	4.8
97.04045	1.0
98.09650	1.0
99.01960	1.5
100.07613	0.9
109.02863	0.7
109.03972	1.0
113.10799	0.9
114.05515	1.0
117.45800	0.6
125.03464	2.6
125.05953	1.3
125.07057	0.7
126.05503	0.9
127.95218	0.7
127.96159	0.9
129.10220	1.5
131.04527	1.3
131.95090	1.0
132.95793	3.5
137.09572	0.7
138.05499	4.1
141.01181	26.1
142.04936	1.5
143.02736	1.2
144.06570	0.8
157.00630	1.4
166.99026	0.9
167.04530	1.1
169.96570	0.7
173.96117	0.8
174.96901	4.0
185.00136	2.9
185.05865	7.3
186.96951	1.3
189.03479	1.2
200.08525	100.0
201.09286	3.2
201.12373	3.3
202.10101	4.2
205.49345	0.8
217.04750	3.6
230.13791	3.0
232.11009	2.9
234.98946	1.0
240.08672	0.9
244.07532	11.8
244.12906	5.1
253.00064	1.2
258.13678	0.9
275.99319	3.6
276.10086	36.0
276.15591	18.0
276.18475	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	276.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10982	0.4
50.30930	0.4
53.43487	0.4
54.52526	0.5
56.05018	2.2
60.04509	1.0
60.05624	1.1
60.08152	0.9
69.03405	0.8
70.02944	0.4
70.06595	15.7
70.95842	0.5
72.08152	5.4
72.93773	3.1
73.02845	0.4
80.04963	0.5
80.72298	0.4
81.03392	3.2
81.04539	0.6
83.06090	0.6
84.04512	19.5
84.08123	0.9
85.02900	4.7
86.09673	3.0
87.03197	0.5
88.03970	0.9
89.10789	0.6
90.94831	7.2
96.04487	3.6
96.12614	0.5
96.52547	0.5
97.02862	0.8
98.06067	3.9
98.09644	0.5
102.05544	4.8
102.94827	5.3
108.95837	3.4
109.02869	2.8
109.03941	0.7
110.07166	1.0
111.05489	0.5
114.10265	2.7
115.00539	0.5
115.08652	0.7
118.08623	0.8
120.02016	0.5
120.95844	4.0
122.02725	0.5
126.05518	7.5
126.98433	0.9
127.03927	0.7
128.10558	0.5
128.96321	2.5
129.01830	1.2
130.04979	0.5
130.94240	1.2
130.97922	0.7
131.01862	5.5
131.08180	0.9
132.10222	0.7
132.95834	13.2
138.01848	2.7
138.05508	33.9
138.06580	1.2
140.07063	0.6
140.96313	3.0
141.01187	0.6
143.05727	0.6
144.06564	9.0
144.95824	4.4
146.97359	0.7
148.08670	3.5
148.95363	0.8
148.98965	0.6
150.96841	2.3
152.03387	0.7
154.97835	0.6
156.02769	1.5
158.97401	18.7
159.07649	1.7
159.11296	0.6
162.96916	1.0
163.03903	5.2
164.10748	0.6
166.04935	0.8
168.06529	4.7
169.65457	0.6
170.97403	11.7
174.03929	2.3
174.96912	4.0
176.08203	6.4
176.98438	3.3
181.07213	1.1
186.06123	1.3
186.07603	4.3
188.98450	26.9
190.96423	0.8
191.00043	0.5
194.04466	1.9
194.15887	0.5
198.96884	6.3
200.08543	4.1
202.26276	0.5
205.11768	0.8
206.99492	2.4
212.05531	1.0
212.12888	0.9
214.05522	9.6
216.97951	14.3
230.13832	3.2
233.12772	4.8
234.11194	0.8
234.96841	3.3
234.98975	24.9
253.00056	100.0
258.04529	0.9
258.13422	3.0
267.01416	0.8
267.61295	1.0
276.01663	36.7
276.10651	5.0
276.14087	5.8
276.17816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81586	1.6
54.51440	1.6
55.05287	2.5
55.05523	43.3
55.72111	1.8
57.03445	2.3
57.07079	4.0
61.38473	1.8
67.05507	43.4
69.03446	2.8
69.07078	55.3
70.72029	2.0
71.05000	10.1
71.08618	2.5
72.16916	1.8
79.05506	17.1
81.07066	69.9
83.04978	2.7
83.08624	50.0
85.06548	11.6
91.05497	19.0
93.07052	23.6
95.08613	85.1
97.06548	15.3
97.10170	49.0
99.08105	4.8
105.07042	19.5
107.08600	36.3
109.10165	68.1
111.08072	14.2
111.11686	14.3
115.07554	2.5
119.08571	26.8
121.10146	22.6
123.08057	4.8
123.11694	42.1
125.09634	11.1
129.09126	3.9
131.08569	2.0
133.10124	56.7
135.11720	8.8
137.09628	11.9
139.11156	2.8
147.11682	29.2
149.13208	7.7
151.11211	4.6
161.13245	11.6
163.14847	10.1
165.16312	15.0
183.37875	2.1
189.16379	100.0
207.17448	59.3
207.19278	3.4
225.18510	24.5
242.55702	1.9
257.21149	10.6
275.19922	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
68.56929	0.4
70.06593	1.9
72.04500	1.4
72.06041	0.3
72.08155	4.9
80.17809	0.3
84.05659	3.1
84.08144	11.3
85.05953	0.5
86.09673	0.7
98.06081	0.5
102.09183	5.0
112.07596	0.6
113.10780	3.9
114.09170	25.2
114.94352	0.4
115.08708	3.2
119.01920	0.4
120.10232	9.8
127.08652	2.0
128.96118	0.4
129.10278	0.4
131.11806	9.2
138.12726	0.5
143.11804	24.7
144.11281	0.6
156.11307	5.4
157.09727	6.4
162.12425	0.4
173.13948	3.9
176.96301	0.4
182.11752	0.7
187.03862	0.9
191.36658	0.4
197.13914	0.4
197.16553	0.8
199.14468	0.5
215.17502	0.8
233.18585	9.4
239.18777	0.7
257.15790	2.0
258.18259	3.1
275.14200	2.4
275.20798	100.0
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	Cinmethylin
Peak:m/z	Relative Intensity
53.83987	3.7
57.30538	4.2
67.05505	9.7
81.07050	7.3
86.88683	4.6
87.71739	5.2
91.05464	24.8
93.07010	9.3
95.08601	7.7
101.29349	5.0
105.07036	35.0
119.08575	31.4
121.27456	5.4
131.08575	10.1
133.10141	36.1
145.10117	8.2
147.11673	28.9
149.09578	7.1
159.11653	4.8
161.03654	5.4
161.13293	7.4
257.18961	7.2
264.47849	5.3
275.20062	100.0
275.27737	7.4
292.04105	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.66784	0.7
55.05509	6.9
59.76111	0.9
67.05518	7.5
69.07058	5.7
79.05507	8.2
79.57655	0.9
81.07054	11.6
83.05000	1.2
83.08614	5.0
91.05476	18.4
93.07043	13.2
95.08613	9.9
96.09834	1.1
97.06519	4.1
97.10152	2.0
102.04913	1.0
105.07037	25.2
107.08592	12.1
109.06490	1.6
109.10123	5.7
111.08076	1.1
111.76232	0.9
117.07008	3.8
117.88045	0.9
119.08591	22.8
121.10137	9.0
123.08105	1.0
125.09595	2.2
129.07004	1.3
131.08575	9.5
133.10138	30.5
135.08029	3.6
135.11655	4.1
137.09605	3.8
145.10158	12.3
147.11694	13.0
149.09659	13.0
149.13222	1.1
151.11153	2.4
157.10056	1.4
159.11667	10.8
161.13205	5.7
163.11191	7.3
165.12770	1.4
169.10172	1.3
171.11703	3.8
173.13226	5.0
175.14912	1.2
177.12807	1.2
182.51366	1.0
189.12822	1.4
191.14397	1.2
197.13196	1.8
215.17970	1.4
229.19507	1.8
239.17923	10.9
245.30336	0.9
257.18988	13.7
275.20062	100.0
282.56085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.05512	4.9
55.66576	3.1
67.05491	8.5
69.07050	3.8
71.54460	3.2
79.05473	7.1
81.07048	15.1
83.08617	5.6
91.05484	18.4
93.07024	20.0
95.08590	18.0
105.07018	29.4
107.08585	21.3
109.10135	4.8
112.24876	3.6
117.07069	4.1
119.08593	20.0
121.06566	4.1
131.08601	7.1
133.10130	25.2
135.07993	5.1
137.09598	4.3
145.10120	7.8
147.11705	18.1
149.09598	13.5
159.11668	3.9
163.11159	4.7
213.20419	19.0
215.18030	3.9
234.16249	4.1
257.19040	6.5
275.16965	11.0
275.20056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.01871	15.2
55.05517	8.6
55.24898	5.5
62.41537	6.0
67.05490	8.6
79.05488	12.6
81.07045	11.5
86.29748	6.7
91.05479	14.1
93.07051	7.1
95.08614	11.7
97.06538	56.2
100.51956	6.3
102.44669	7.0
105.07076	25.1
107.08607	10.1
109.10146	7.6
119.08577	12.1
131.08601	9.1
133.10130	33.2
133.44836	7.2
133.66022	7.6
147.11626	7.4
149.09647	10.5
249.26135	7.6
257.19156	11.2
275.20099	100.0
275.27734	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01859	0.8
55.05523	5.6
55.86366	0.6
57.03439	1.8
57.07087	0.7
67.05233	0.8
67.05518	12.6
67.43239	0.7
69.03422	0.7
69.07074	5.7
70.22588	0.8
70.52341	0.6
70.60329	0.7
71.08637	0.8
79.05499	8.3
81.07067	13.2
83.04978	1.6
83.08622	6.4
91.05496	15.4
93.07053	13.3
95.04961	4.5
95.08611	11.8
97.06522	0.9
97.10165	1.6
105.07037	20.9
107.04951	4.9
107.08601	11.6
109.06510	3.2
109.10170	8.2
111.08077	1.5
117.07011	5.2
119.08594	21.1
119.78448	0.8
121.06509	1.1
121.10170	7.0
123.08089	1.1
123.11687	1.4
125.09624	0.8
129.07018	1.2
131.03137	0.7
131.08588	8.1
133.10141	22.3
133.34019	0.7
135.08055	4.0
135.11678	1.7
137.09659	1.7
143.08528	0.9
145.10132	9.8
147.08080	1.1
147.11691	16.5
149.09637	14.7
149.13295	0.8
151.11240	1.3
157.01805	0.9
157.10127	1.5
159.11702	9.5
161.09619	1.0
161.13251	5.0
163.11200	6.2
165.12794	1.0
169.10146	1.4
171.11717	1.1
173.13289	4.2
175.11159	2.9
177.12718	1.5
183.11765	1.6
185.13271	1.3
189.12744	1.3
215.14250	1.0
220.65927	0.8
229.19537	5.0
239.17964	4.7
257.18997	14.4
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	275.2008
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.26821	2.6
55.05515	5.6
66.42776	3.5
67.05499	8.5
69.07078	4.9
71.08601	3.3
73.82274	3.0
79.05492	6.0
81.07059	22.7
91.05476	21.2
93.07046	13.5
95.08612	8.8
95.36129	3.7
105.07019	30.7
106.37901	3.4
107.08578	5.3
109.06544	3.3
117.07024	5.6
119.08566	27.8
131.08565	7.5
133.10114	25.0
135.11679	6.4
139.11182	4.2
145.10130	13.8
147.11670	18.2
149.09645	15.5
161.13116	4.0
175.11168	5.1
239.18005	5.4
254.41927	3.7
257.19070	15.9
275.20044	100.0
275.27856	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.10403	1.3
55.05509	8.1
57.03439	2.6
67.05524	12.4
69.07068	8.7
71.04982	8.0
79.05503	10.1
81.07069	22.1
83.04990	2.6
83.08626	2.7
85.06536	2.6
91.05486	14.4
93.07032	17.4
95.04960	2.3
95.08622	10.1
96.15694	1.2
97.10186	1.9
104.95365	1.3
105.07040	29.0
107.08600	20.9
109.06543	11.7
109.10145	8.4
111.08065	8.1
117.07006	6.5
119.08578	34.7
121.06505	2.7
121.10154	15.3
123.08091	2.8
123.11703	2.4
124.16192	1.2
131.08572	16.7
133.10126	38.8
135.08072	11.3
135.11717	6.5
137.09642	4.9
141.07126	1.7
143.08566	5.5
145.10121	15.9
147.11696	17.4
149.09615	7.5
157.10153	11.2
159.08092	1.6
159.11694	18.0
161.13272	6.0
163.11087	4.9
169.10095	3.1
171.11682	4.9
173.13254	22.9
174.14079	1.9
175.11275	2.3
175.14891	1.5
177.12799	4.7
183.11729	8.0
185.13370	1.8
187.14774	5.0
191.14255	2.6
197.13289	2.8
199.14833	7.7
201.12733	2.9
201.16376	1.6
203.14339	2.2
213.16463	2.2
229.19508	2.4
239.18018	5.1
257.18964	14.4
275.20081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.46498	2.3
51.06978	2.0
55.05513	4.9
57.07082	2.7
58.45456	1.9
67.05490	8.2
69.07067	12.1
71.05002	21.4
79.05489	9.6
81.07063	17.6
81.47004	2.7
83.04980	10.0
85.06535	15.1
86.93754	2.1
91.05486	14.0
93.07055	24.3
95.04968	4.5
95.08614	32.3
97.06546	2.5
105.07030	32.1
107.08111	2.0
107.08613	31.0
109.06521	20.4
109.10152	16.2
111.08072	30.1
117.07049	9.1
119.08577	41.0
121.10168	33.4
123.08054	3.3
123.11677	6.0
131.08592	44.7
133.10124	44.1
135.08067	43.4
135.11679	5.9
137.09663	23.9
139.11269	2.8
142.07726	3.0
142.87936	2.4
143.08557	16.8
145.10144	41.3
147.11688	18.0
149.09618	10.9
149.13251	3.5
151.11104	2.8
155.08549	2.8
157.10162	39.1
158.10922	11.2
159.11699	53.3
161.09576	3.7
163.11118	3.5
167.08376	3.5
168.09204	3.2
169.10068	9.9
171.11708	20.6
173.13254	100.0
174.14070	5.0
175.11192	10.9
175.14796	5.9
177.12749	17.6
183.11726	18.1
187.11137	4.3
187.14824	12.3
191.14337	16.3
197.13310	13.3
199.14796	31.8
201.12738	16.6
213.16452	11.9
215.17970	10.3
217.15839	5.1
219.13789	3.3
239.17982	11.2
257.18921	39.5
275.20044	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
69.07073	6.1
72.92143	0.9
80.79253	0.9
81.07050	1.7
85.06534	1.5
85.20199	0.9
91.05463	1.2
93.07023	4.3
95.05013	1.4
95.08627	4.1
105.07015	2.2
107.08598	2.3
109.06533	1.0
109.10159	2.1
111.08083	23.4
114.77317	1.2
116.97567	1.1
119.08538	4.3
121.10139	2.4
122.07342	1.0
123.08070	9.8
123.11704	1.9
128.76184	1.1
131.08591	5.4
133.10098	4.1
135.08066	18.6
135.11667	1.6
137.09621	1.3
139.81361	1.0
145.10081	3.7
147.11711	2.2
157.10246	1.4
159.11685	4.8
161.09653	1.4
163.11153	1.8
165.12767	2.2
171.11691	8.4
173.13211	4.1
174.21783	1.0
175.14848	1.1
181.12228	11.7
189.12814	1.7
191.14293	100.0
199.14980	2.9
201.12721	1.1
215.14227	1.2
215.17976	3.8
217.15865	4.9
233.75793	1.2
257.18979	5.3
275.20047	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	275.2009
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01888	1.4
55.05533	9.2
66.95916	1.1
67.05521	11.5
69.07059	8.3
79.05492	9.6
81.07068	16.1
82.57841	1.2
83.08631	2.7
85.06496	1.2
91.05480	19.7
93.07050	15.0
95.04948	1.8
95.08610	13.6
97.06532	2.4
97.10196	1.7
105.07047	33.2
107.04929	2.1
107.08612	12.4
109.06514	2.4
109.10172	7.6
117.07014	8.2
119.08575	24.7
121.10139	6.1
122.13111	1.1
123.08054	1.6
123.11654	1.6
131.08566	11.2
133.10138	35.2
135.08035	5.6
135.11719	2.4
137.09624	5.9
143.08600	1.6
145.10132	13.8
147.11688	19.2
149.09628	5.5
149.13229	1.4
151.11192	2.4
159.11699	8.2
161.09579	1.6
161.13235	6.1
163.11156	6.4
165.12717	1.6
171.11661	2.1
172.07492	1.8
173.13135	2.4
177.12755	1.4
180.51146	1.4
183.11667	2.1
187.11250	1.7
189.12863	1.5
229.19531	2.8
239.17892	2.8
247.20534	2.1
257.19019	9.8
275.20062	100.0
294.88220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11409	0.5
57.04563	1.1
67.24747	0.6
72.08163	22.4
74.07194	1.4
89.10798	6.5
97.07623	0.8
103.05476	4.7
114.10294	20.4
115.08666	3.1
128.11848	35.4
129.10233	7.6
131.04932	95.9
144.08136	5.3
148.07521	1.0
166.48535	0.6
201.13872	20.9
202.12268	53.2
210.82928	0.7
219.14948	8.3
230.82101	0.6
244.14403	6.7
258.16006	10.3
275.18665	100.0
277.50256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41085	0.8
57.04561	1.3
62.94776	0.8
64.98423	0.8
72.08158	11.6
86.61727	1.0
89.82831	1.2
96.80402	0.9
103.05473	3.6
114.10282	11.2
115.08675	4.7
128.11099	0.9
128.11847	13.3
129.10233	14.6
131.04932	100.0
141.53998	0.9
144.08116	7.7
148.07585	1.1
201.13898	21.2
202.12274	70.6
219.14871	11.2
244.14435	5.9
258.16138	7.3
275.18661	98.3
277.67911	1.0
296.36169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04561	1.0
58.10395	0.5
66.29482	0.5
72.08163	12.3
72.74135	0.5
85.32837	0.5
89.10792	0.9
93.48360	0.6
102.85832	0.6
103.05453	3.1
114.10308	13.1
115.08708	5.8
128.11827	12.6
129.10248	15.9
131.04938	99.8
144.08086	6.6
163.81169	0.6
171.75104	0.7
201.13890	26.8
202.12285	71.2
219.14966	9.8
241.21815	0.7
244.14464	7.8
258.16013	7.9
275.18668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21690	0.7
57.04556	0.8
64.48006	0.7
65.23181	0.7
72.07806	1.2
72.08158	22.2
74.07196	1.0
78.19921	0.7
80.82287	0.8
89.10809	7.1
103.05469	4.3
114.10291	20.0
115.08694	3.0
121.59753	0.8
128.11836	35.3
129.10236	8.4
131.04927	95.2
144.08061	3.3
145.14243	0.8
201.13875	21.2
202.12267	56.5
219.14943	8.5
244.14424	5.4
258.16058	9.5
275.18646	100.0
283.00803	0.8
293.75729	0.8
298.59921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94778	0.6
71.08598	0.6
83.04980	1.0
109.18677	0.6
114.09134	0.7
116.08920	0.6
116.83661	0.6
117.92834	0.7
130.06528	16.7
131.07336	1.5
132.97426	0.6
144.08058	7.1
148.07437	10.9
156.08160	1.6
158.09779	1.0
161.08229	2.6
167.07304	8.9
168.08060	6.3
169.08929	1.2
170.09657	3.4
174.11520	9.9
180.08093	4.2
181.08879	6.7
182.09660	36.2
183.10524	1.1
184.11229	1.1
193.08917	4.3
194.09799	5.6
195.10445	3.0
196.11224	20.3
197.08362	3.2
198.12804	3.5
200.10727	8.5
206.09686	0.9
208.11226	17.4
214.12248	6.8
224.10710	15.2
226.12273	55.6
229.14464	3.8
232.13449	1.4
239.12924	1.1
244.13327	100.0
257.14014	16.0
257.16501	3.2
275.05045	5.3
275.14969	23.5
275.17609	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74228	0.6
53.50648	0.6
55.05493	0.8
62.47996	0.8
66.24097	0.7
69.03427	0.8
69.92787	0.8
70.06586	1.4
72.08145	4.9
73.09195	0.7
91.38747	0.8
97.02943	1.0
98.06068	0.9
98.97575	0.8
107.04938	0.9
114.09126	1.2
116.10725	1.7
130.06531	4.7
144.08047	1.9
147.06686	3.2
148.07445	34.5
149.08180	1.3
160.38837	0.9
161.08255	7.3
163.03902	1.1
167.07274	1.7
168.08051	1.6
170.09653	1.3
174.09167	1.0
174.11557	1.5
181.08890	3.1
182.09666	13.2
187.03853	0.9
187.09959	0.9
192.74031	0.8
194.09737	3.4
195.10474	1.4
196.11270	7.4
198.12891	1.8
200.10713	3.2
203.20068	0.9
204.01143	1.8
207.67203	0.8
208.11157	5.6
214.12247	1.2
224.10695	5.5
226.12268	17.6
229.14484	12.0
232.06860	0.9
239.12953	9.9
244.13310	33.4
257.13965	56.4
275.05060	6.8
275.15027	100.0
275.17728	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	275.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74228	0.6
53.50648	0.6
55.05493	0.8
62.47996	0.8
66.24097	0.7
69.03427	0.8
69.92787	0.8
70.06586	1.4
72.08145	4.9
73.09195	0.7
91.38747	0.8
97.02943	1.0
98.06068	0.9
98.97575	0.8
107.04938	0.9
114.09126	1.2
116.10725	1.7
130.06531	4.7
144.08047	1.9
147.06686	3.2
148.07445	34.5
149.08180	1.3
160.38837	0.9
161.08255	7.3
163.03902	1.1
167.07274	1.7
168.08051	1.6
170.09653	1.3
174.09167	1.0
174.11557	1.5
181.08890	3.1
182.09666	13.2
187.03853	0.9
187.09959	0.9
192.74031	0.8
194.09737	3.4
195.10474	1.4
196.11270	7.4
198.12891	1.8
200.10713	3.2
203.20068	0.9
204.01143	1.8
207.67203	0.8
208.11157	5.6
214.12247	1.2
224.10695	5.5
226.12268	17.6
229.14484	12.0
232.06860	0.9
239.12953	9.9
244.13310	33.4
257.13965	56.4
275.05060	6.8
275.15027	100.0
275.17728	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	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23389	12.4
64.97849	12.0
92.18343	15.4
125.07164	19.7
129.02136	19.9
146.04813	22.5
191.37184	11.4
275.01660	100.0
275.06067	22.8
280.42532	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	275.1029
Annotation	CHEBI:132261
Peak:m/z	Relative Intensity
50.93385	1.1
72.12257	1.2
72.88319	1.1
81.07050	1.4
92.18398	1.8
95.08622	1.6
105.07013	1.6
111.23322	1.3
126.78242	1.3
201.06538	5.8
215.08122	6.7
216.08929	10.9
231.11292	2.9
260.07965	15.4
275.10242	100.0
275.13281	3.2
275.20129	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	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78438	4.6
54.94599	5.0
58.06666	5.3
61.32083	5.1
70.06596	7.6
72.08180	7.6
73.02901	6.5
75.81395	4.8
81.98055	5.7
84.08147	25.1
88.03996	9.1
93.03391	5.9
95.05002	7.1
98.09705	10.2
101.00880	52.4
113.02377	11.8
119.01929	100.0
121.02869	46.1
125.07123	78.7
126.05503	8.3
137.02986	7.5
139.03896	9.9
145.03516	10.6
146.92358	5.1
159.05083	6.0
188.04077	9.4
190.06017	6.0
195.05020	7.0
203.02032	10.3
211.04449	11.2
215.04019	11.2
221.03044	42.9
244.17049	5.7
252.00485	9.6
257.05106	62.2
257.11145	9.5
275.01666	66.2
275.06110	97.0
275.10593	59.8
275.17422	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	274.9698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61770	0.4
61.24286	0.4
64.80706	0.4
70.95567	0.4
70.95872	6.1
74.31668	0.4
74.93460	0.4
74.94382	0.4
77.07755	0.5
98.96957	0.8
98.97585	18.5
101.00874	1.5
116.98657	5.4
119.01929	1.8
130.84967	0.4
132.95831	2.5
134.99689	0.5
149.27684	0.5
150.96899	0.6
172.94102	0.6
190.94867	8.1
203.02493	0.4
206.94354	0.6
208.95976	5.6
214.94968	1.9
215.95694	2.6
217.55600	0.4
224.95529	0.6
232.95937	38.5
233.96684	3.2
247.94539	0.7
250.96991	22.9
256.96188	7.2
261.03214	0.6
274.97028	100.0
292.98117	31.9
297.98764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42778	0.3
55.95086	0.4
57.07083	4.1
62.06097	0.5
70.06586	4.1
71.08618	2.1
88.07631	11.8
95.07253	0.3
102.09188	4.0
106.08678	9.4
164.46899	0.4
230.24728	0.8
256.26334	6.7
274.27390	100.0
282.52100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.274
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
57.07086	3.6
64.56144	0.3
66.32296	0.2
70.06596	4.9
71.08632	2.2
72.91078	0.2
80.20473	0.3
85.10222	0.4
85.12508	0.3
88.07112	0.6
88.07633	13.1
89.70393	0.3
91.40781	0.2
92.17824	0.3
102.09189	4.0
106.08668	9.7
137.92191	0.3
230.24765	0.6
256.26331	8.5
274.27393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1804
Annotation	1-(p-Methoxyphenyl)-5-piperidino-1-penten-3-one
Peak:m/z	Relative Intensity
53.23274	0.2
55.05518	0.2
81.07059	1.2
98.38072	0.2
117.05840	0.2
118.06518	0.5
120.08118	1.0
121.08935	0.5
121.10107	0.2
125.09617	0.5
132.08112	3.6
134.09668	3.4
144.08101	3.6
145.08913	0.9
146.09663	2.4
158.09651	3.2
160.11234	3.0
161.11993	1.3
170.09573	0.5
172.11205	1.1
174.09158	4.2
176.10690	1.5
178.12234	0.4
186.09122	0.4
186.12784	0.4
188.10686	1.7
189.11516	3.5
190.12306	1.3
200.10701	1.3
212.14243	0.7
214.12209	0.2
230.15384	1.0
256.16977	1.4
259.15710	0.9
274.18033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13889	0.6
55.05510	4.0
60.05659	1.1
70.06576	3.4
72.08158	12.9
73.06507	0.8
84.04515	4.1
84.05633	100.0
84.08138	1.1
85.02921	2.3
98.07180	2.4
103.55759	0.5
110.06100	0.7
114.10291	4.0
123.04471	1.4
128.06439	0.6
130.04977	2.4
131.12907	1.4
134.05995	1.5
141.98341	0.6
143.06914	2.6
145.83557	0.6
150.38303	0.6
150.58833	0.6
152.07138	0.9
155.07037	0.8
163.58417	9.1
177.05530	1.0
178.05014	2.8
178.13332	0.7
180.11328	7.7
184.07175	0.8
198.08733	9.1
209.63669	1.1
213.11736	0.7
216.07828	0.8
216.09785	18.1
221.04564	0.7
222.14233	1.4
224.13983	1.4
229.09697	3.9
232.09709	2.8
234.14790	1.2
236.12097	3.2
238.15509	7.7
242.15018	1.3
243.15678	0.6
244.63441	4.5
256.07693	0.7
256.12912	1.3
256.16565	11.5
257.13074	1.3
265.64313	6.2
270.13541	0.6
271.12054	0.9
274.11136	1.3
274.13852	2.5
274.17932	55.4
288.14539	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	274.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
98.51328	0.8
129.38008	0.7
134.73814	0.7
147.13361	0.9
169.90269	0.9
170.84563	0.7
171.04112	1.8
178.34102	0.8
187.03677	68.8
215.03229	4.0
252.51978	0.9
274.10510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1399
Annotation	C20916
Peak:m/z	Relative Intensity
55.05523	0.6
57.04552	1.6
60.05648	4.0
64.04634	0.9
67.05505	0.7
67.22204	0.8
69.03430	0.8
70.06582	6.0
71.04996	1.6
71.06920	0.9
72.04477	0.8
72.08163	6.8
76.05128	3.5
79.05505	1.0
80.05034	1.3
81.07062	1.6
82.06578	0.7
82.55132	0.7
83.04889	6.8
84.05634	100.0
84.08131	3.5
85.02911	0.9
85.06416	1.8
86.06056	1.1
86.09716	1.4
88.03996	1.7
90.79043	0.7
91.05459	1.0
93.07065	3.0
94.06557	1.7
95.04973	3.4
96.05613	6.4
97.06454	3.0
98.06036	1.3
98.07173	2.9
100.04034	1.1
100.05104	40.4
105.07030	1.2
108.04446	1.0
110.07143	1.1
112.07584	1.3
113.05993	1.2
113.10770	4.2
114.09167	17.9
114.10330	0.8
114.11076	1.1
115.08712	3.0
115.09497	14.8
119.08549	0.9
122.09655	1.0
123.08023	0.9
124.05023	0.9
126.05526	3.0
130.04987	0.8
131.11777	3.2
132.08087	3.2
132.12163	3.1
133.06474	0.7
134.07141	1.2
134.09677	2.7
135.08022	1.6
138.10287	1.0
140.07158	0.9
145.03461	1.0
150.09158	3.5
156.11345	3.0
157.11697	1.6
168.07758	1.1
169.06047	1.5
173.13960	1.4
174.14281	0.9
177.12663	1.0
178.08693	1.0
182.09219	3.2
187.03719	3.7
192.11368	1.0
194.12964	4.4
199.07100	2.7
200.10272	1.0
207.03401	0.8
210.12479	2.7
228.13597	1.4
232.17360	6.9
238.11905	8.4
252.62688	0.8
256.02911	0.9
256.12918	92.2
257.16745	0.8
274.10736	5.1
274.13992	97.4
274.19547	59.5
280.99994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38026	0.7
53.28946	0.9
57.58559	0.7
63.55883	0.7
85.43964	0.7
90.59441	0.7
92.75954	0.7
171.04161	3.2
184.56146	0.8
187.03687	73.8
215.03133	5.1
274.10519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06841	0.1
57.07086	3.0
65.99586	0.1
68.92932	0.2
70.06596	5.0
71.08628	2.1
79.23283	0.2
85.10163	0.4
88.07635	11.9
99.87614	0.2
102.09171	3.6
106.08675	9.3
230.24780	1.0
256.26340	7.9
274.27393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05518	3.4
56.93758	0.4
57.26407	0.4
59.69212	0.4
60.04544	0.5
60.05640	0.5
64.14026	0.4
64.52112	0.4
64.64521	0.3
67.05526	1.5
67.12439	0.4
68.40379	0.4
69.07057	2.3
70.06580	2.4
71.04983	1.0
72.08160	17.8
79.05495	0.7
80.83381	0.4
81.03417	0.8
81.07049	2.5
83.04938	0.4
83.08623	1.1
84.04491	1.8
84.08141	5.7
85.02910	0.5
85.06525	2.0
86.09708	6.6
92.17850	0.5
93.07027	2.2
95.05003	0.8
95.08595	2.0
97.06493	0.6
97.07629	1.0
97.10192	3.5
98.06021	2.3
99.08113	0.9
105.07048	0.9
107.08579	3.0
109.06540	1.0
114.10291	24.5
115.08697	8.3
119.08572	0.8
120.08085	1.1
121.06477	1.1
123.04468	0.9
124.07593	4.2
125.09647	4.2
129.10251	9.1
131.08514	0.9
133.10086	0.8
134.29120	0.6
135.08029	2.0
136.06215	0.7
137.05992	3.3
137.09546	0.5
143.11722	0.6
144.08110	3.7
147.11584	0.5
149.05956	0.7
151.07445	0.6
152.07047	5.6
154.12288	0.8
158.09662	0.6
159.11659	3.6
163.07550	0.9
170.09616	2.2
173.13237	0.9
175.11203	0.6
181.08652	0.6
183.11644	0.7
184.11143	0.8
187.10815	2.2
188.13069	2.0
191.14380	1.0
195.16881	0.8
195.18581	18.6
196.16975	38.8
201.12646	1.0
213.19725	3.6
214.18039	9.8
219.13782	5.6
228.10153	1.0
231.20631	1.8
237.14865	5.1
238.19153	26.8
239.17531	2.4
242.15337	2.9
255.11528	0.6
255.15776	1.8
255.64937	0.5
256.03064	0.4
256.20181	2.2
273.03946	0.7
273.07950	0.7
273.12216	4.6
273.15982	5.5
273.19714	6.8
273.22821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2216
Annotation	5a-Androst-3-en-17-one
Peak:m/z	Relative Intensity
55.05509	0.7
67.05518	1.6
69.07068	0.8
78.05633	0.7
79.05505	3.6
81.07070	3.6
83.08662	1.1
86.06088	3.1
91.05486	3.3
93.07049	5.3
93.07584	0.9
95.04949	0.9
95.08620	4.1
98.59180	0.9
99.39777	0.9
100.07627	5.5
101.07973	1.7
105.07047	10.9
107.08597	7.5
109.10158	1.9
116.01673	0.8
117.07043	0.8
119.08558	6.9
121.10162	4.8
123.11736	1.0
131.08562	2.0
133.10173	6.1
135.11731	6.4
145.10106	6.8
147.11699	15.4
149.13271	3.2
154.36238	0.9
157.10138	0.8
159.11647	9.7
161.13264	100.0
163.11163	2.7
173.13315	7.1
175.14812	1.5
185.13339	0.9
199.14890	3.7
213.16455	1.7
242.15462	1.5
255.21086	34.1
255.25092	28.2
273.22168	68.6
273.26038	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	273.2214
Annotation	5a-Androst-3-en-17-one
Peak:m/z	Relative Intensity
55.05525	1.1
55.53076	0.9
57.07075	1.2
61.70737	0.9
67.05487	1.2
67.61654	0.9
74.29127	1.1
75.46338	1.0
79.05499	1.7
81.07058	2.3
91.05480	1.7
93.07053	6.6
95.08617	6.0
100.07633	12.0
101.07958	5.0
105.07059	9.1
107.08606	5.5
109.10155	1.6
119.08568	1.9
121.10133	2.6
123.11722	1.3
131.08574	1.5
133.10150	2.6
135.11685	5.6
140.50357	1.1
145.10147	6.4
147.11723	13.0
149.13258	1.7
159.11665	8.8
161.13255	100.0
163.11195	1.1
173.13248	6.3
185.13217	1.5
213.16449	1.7
242.15590	1.4
255.21078	32.4
273.19620	3.5
273.22159	61.4
273.26135	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	273.2213
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05514	3.0
56.77708	1.3
67.05498	6.5
68.28106	1.4
69.07059	6.7
69.48303	1.7
71.04973	1.4
79.05469	1.7
81.07070	18.5
83.05015	1.5
83.08595	7.0
86.52309	1.5
91.05466	2.4
92.18453	1.7
93.07055	12.4
95.08617	21.1
102.30528	1.6
105.07069	13.8
107.08611	15.8
109.10164	16.1
117.06994	3.3
119.08604	11.7
121.06457	1.8
121.10132	10.0
123.11701	8.2
131.08568	8.9
133.06500	2.0
133.10121	10.4
135.08095	3.3
135.11668	8.6
137.13275	2.1
143.08511	7.0
144.08058	2.2
145.10103	18.9
147.08051	2.0
147.11656	9.8
149.09695	2.3
149.13258	3.4
157.10127	10.0
159.11650	15.2
161.09618	2.2
161.13245	7.6
163.11154	3.6
163.14761	3.4
171.11659	9.9
173.13286	8.0
175.14807	4.1
185.13290	10.7
187.14772	2.3
189.16362	1.8
199.14844	15.0
201.16386	2.3
203.14313	8.1
213.16412	8.0
215.17924	3.2
227.18037	4.0
229.19478	2.6
242.15399	3.7
255.21066	37.9
273.18994	10.7
273.22113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1963
Annotation	Obscurinine
Peak:m/z	Relative Intensity
61.78162	0.5
66.43778	0.6
108.08094	1.0
130.06441	0.9
143.05438	0.7
144.08102	44.0
145.08844	3.3
146.09668	0.8
158.09697	4.3
159.09221	0.6
170.09654	40.0
171.10440	10.3
174.11545	0.7
186.11440	0.8
187.12279	2.7
188.13095	37.1
199.12259	0.7
206.46837	0.6
216.10205	2.6
242.11833	1.0
255.18646	2.8
273.19617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53458	0.2
58.06599	1.1
69.69268	0.2
81.07115	0.3
93.07068	0.2
99.04387	0.3
108.08126	0.8
112.07451	0.2
117.05746	0.3
118.06542	0.5
120.08071	0.3
130.06563	1.6
131.07283	0.4
132.08090	1.5
134.09637	0.2
143.07338	0.4
144.08087	41.2
145.08876	2.4
156.08064	0.4
158.09637	3.1
159.09166	4.7
160.11189	0.4
168.08134	0.4
169.07610	1.1
169.08876	0.3
170.05992	1.9
170.09642	41.6
171.08995	0.5
171.10422	9.3
172.11192	0.3
173.10759	0.5
174.11502	1.4
181.08900	0.3
182.09691	0.3
183.09195	0.2
184.07567	1.0
184.11176	0.9
185.07173	1.9
187.08647	1.2
187.12308	2.6
188.13089	36.9
189.13786	0.4
196.11208	2.5
198.09160	1.4
198.12784	1.0
199.08743	0.2
199.12279	0.8
200.07074	0.8
201.10226	0.4
202.12204	0.4
210.12750	0.8
212.14578	0.3
212.90045	0.3
216.10223	2.7
224.10703	0.3
226.15945	0.3
227.08171	2.0
228.13855	1.8
230.11717	0.3
231.07736	0.3
238.15866	0.4
240.16170	0.5
242.11766	3.4
244.17058	0.3
245.09198	4.5
255.07645	0.5
255.18518	2.2
256.16946	1.5
273.19601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1963
Annotation	beta-Obscurine
Peak:m/z	Relative Intensity
53.79566	0.3
55.05542	0.4
58.06610	56.8
59.94811	0.4
66.18392	0.3
69.07047	1.0
73.62282	0.4
79.53933	0.4
81.07056	0.4
95.08589	1.7
98.45689	0.4
129.18925	0.4
132.08061	0.6
144.08086	2.1
146.05995	0.7
147.06795	51.1
158.09677	1.0
159.06812	4.7
160.07571	17.8
161.08360	16.7
161.13184	1.0
170.09645	0.7
172.07568	7.4
172.11208	2.0
173.08360	27.1
174.09128	10.7
197.12003	2.8
198.12845	0.6
204.12587	88.3
205.13380	1.6
212.14339	0.9
214.12225	1.6
226.40875	0.4
242.15390	22.7
273.19611	100.0
290.69714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.5
59.04974	0.5
67.05510	0.5
69.07081	0.6
70.52995	0.4
81.07069	0.6
82.89191	0.4
83.04989	0.6
85.06492	0.4
93.07035	0.8
95.08623	0.7
97.06542	2.5
106.26276	0.5
107.08604	0.7
131.07234	0.5
132.08098	9.7
144.08092	27.9
145.08852	0.8
146.09618	2.9
147.11725	0.7
157.08875	0.8
158.09633	5.8
159.09145	3.5
159.10426	2.3
161.13263	2.6
167.07227	1.7
169.08742	1.4
170.05951	0.7
170.09633	6.0
172.11224	5.1
177.46100	0.5
181.06555	0.8
181.08856	0.8
182.09631	6.6
183.10431	13.2
184.07617	0.6
184.11200	16.9
185.07076	0.8
188.13148	1.1
194.09647	0.5
195.10416	2.7
196.11304	4.3
197.11972	0.9
198.12787	4.8
209.12007	2.1
211.13609	0.8
212.14351	18.0
213.09206	0.5
216.13853	15.9
224.14348	9.3
227.08069	0.9
230.15399	4.1
241.08569	0.8
242.15388	100.0
245.09264	1.1
255.18523	0.9
255.21153	0.8
273.08640	0.6
273.12167	2.1
273.19608	13.9
273.22137	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	273.1961
Annotation	Obscurinine
Peak:m/z	Relative Intensity
56.89823	0.4
63.01249	0.4
63.35426	0.4
81.68274	0.4
98.89564	0.4
108.08139	0.8
112.17455	0.5
116.75732	0.4
120.08061	0.5
125.42731	0.4
125.90022	0.5
144.08092	41.7
145.08859	2.7
158.09671	4.3
170.09644	41.5
171.10423	8.3
173.10722	0.9
187.12273	2.6
188.13083	33.6
199.12257	0.7
221.81749	0.4
255.18605	1.0
256.17023	1.0
272.18051	0.4
273.19604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73935	0.6
55.19796	0.7
58.06610	56.3
59.99890	0.8
65.47032	0.7
69.07069	1.1
70.45224	0.9
75.51225	0.9
95.08606	1.3
95.26894	0.9
105.50828	0.8
147.06798	55.6
150.23122	0.8
159.06789	4.9
160.07578	14.1
161.08363	15.7
161.13245	0.9
172.07614	6.7
172.11223	1.7
173.08357	25.7
174.09140	11.3
177.10310	0.8
186.09113	1.2
197.12056	1.7
198.12837	1.2
204.12590	88.8
205.13377	1.0
212.14473	0.8
242.15382	21.2
273.19617	100.0
292.48923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35828	0.2
51.64033	0.1
55.06409	0.1
58.06606	0.1
58.82315	0.2
63.27801	0.2
63.62658	0.1
67.45859	0.2
71.44911	0.2
83.06078	0.2
96.53518	0.2
100.11264	3.1
108.08096	0.7
110.07162	0.9
118.06536	0.2
120.08083	0.3
124.11209	0.2
130.06549	0.7
132.08061	0.4
144.08090	39.2
145.08858	2.6
146.09642	0.3
148.11212	0.4
157.08939	0.2
158.09642	3.6
170.09645	37.6
171.10435	9.1
172.09901	0.4
172.11214	0.4
173.10744	0.8
182.09653	0.4
184.11259	0.3
187.12321	2.6
188.13091	35.3
189.13846	0.3
196.11208	0.3
198.12811	0.3
199.12376	0.9
199.53258	0.2
203.15443	0.2
226.15935	0.3
230.15398	0.3
238.15967	0.3
240.16107	0.3
255.18639	2.4
256.17014	1.7
273.19608	100.0
286.50729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Przewalskin
Peak:m/z	Relative Intensity
55.35810	9.3
57.40629	9.4
65.17843	9.5
71.48915	8.7
80.22452	8.6
80.95555	9.9
81.07045	11.3
81.38750	9.6
91.05489	12.4
92.17784	12.0
93.07045	57.7
95.08583	9.9
99.36380	9.4
104.29824	10.9
105.07003	18.5
107.08579	14.4
109.06522	11.1
110.00592	9.9
121.06497	62.7
121.77852	8.7
129.12651	9.4
135.11716	18.3
139.16629	10.3
143.08510	12.7
145.10187	21.6
149.06020	89.4
153.09081	23.4
159.11714	11.6
170.12627	10.4
173.13257	14.8
181.08722	34.1
185.96762	12.8
213.09145	9.9
213.11177	18.1
215.14365	43.1
231.17458	12.5
242.15425	14.0
255.17509	14.8
273.16037	13.3
273.18356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Przewalskin
Peak:m/z	Relative Intensity
51.23278	5.0
54.21041	4.3
56.20897	5.3
58.44853	4.6
62.57512	6.0
67.05512	10.0
79.05495	10.8
81.07068	10.5
91.05506	7.2
93.07039	9.0
95.04971	11.0
95.08607	11.4
105.07009	9.8
119.08563	10.1
131.08533	14.3
133.10147	6.8
135.11720	10.8
144.08102	10.0
145.10138	24.0
147.11687	9.8
156.83102	5.8
159.11736	10.4
161.13287	37.9
163.44940	6.2
170.09644	6.9
171.11644	8.3
173.13353	7.5
175.11157	9.9
221.96518	6.4
242.15427	23.0
255.17406	7.2
273.18634	100.0
273.22195	25.6
290.05890	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.48407	1.5
57.07055	1.8
67.05513	2.6
69.07038	2.3
71.04949	1.9
81.07056	7.0
83.08610	2.6
91.05466	2.4
93.07049	9.5
95.08596	7.3
105.07020	9.8
107.08586	9.8
109.06564	12.1
109.10133	2.2
111.08086	2.0
119.08594	14.3
121.10115	13.9
123.08073	2.1
127.03931	1.7
129.07088	1.8
131.08586	12.2
133.06444	10.0
133.10117	9.4
135.08057	6.8
135.11656	2.7
142.07774	1.9
143.08531	13.4
145.10124	11.8
147.11642	10.1
149.09596	7.6
155.08556	3.5
156.09358	3.3
157.10114	16.9
159.11705	8.0
161.09637	3.7
161.13274	13.1
167.08444	1.7
169.10110	11.2
170.10791	3.1
171.11670	21.3
173.09618	9.6
173.13228	7.9
174.10384	2.1
175.11143	7.8
181.10086	3.0
182.10898	3.1
183.11702	4.0
185.13263	3.9
187.11203	2.5
189.12764	12.7
195.11707	4.0
196.12383	1.9
197.13281	30.8
199.11238	12.6
199.14775	2.2
209.13293	2.0
211.14877	12.9
212.15633	9.1
213.16374	23.2
215.14294	3.9
222.13980	4.0
225.12666	2.5
227.14389	3.9
229.15872	3.4
231.17397	3.3
237.16370	7.1
240.15092	4.1
242.15381	6.9
255.17444	42.9
255.20746	2.7
273.15558	4.2
273.18497	100.0
273.21774	6.5
273.25504	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	273.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17420	0.3
52.13483	0.4
55.05518	0.5
59.98241	0.5
65.03937	1.2
66.95373	0.5
67.05511	13.0
69.07051	0.8
70.06595	0.5
71.06094	0.6
79.05496	0.9
80.05017	0.5
81.03413	2.0
81.04526	3.0
81.07066	1.0
81.13383	0.4
82.03605	0.4
83.04966	0.8
83.08622	1.1
84.08131	0.7
85.02882	0.6
86.09697	2.0
91.05477	0.8
92.04987	0.8
93.07046	1.2
94.55676	0.4
95.04971	7.7
95.06004	0.5
95.08600	0.6
96.04477	0.8
97.10165	0.6
99.05531	2.4
105.07043	0.6
107.08617	0.8
120.04437	1.1
121.10107	1.0
122.06005	2.1
125.09635	0.8
129.10315	0.8
130.06557	0.8
133.10130	1.0
136.07584	0.5
138.12730	0.6
144.08069	2.6
149.09596	0.5
150.12747	3.0
153.09090	2.0
157.08865	1.9
157.10135	2.0
158.09711	0.8
160.07594	4.4
160.53860	0.6
161.07106	38.3
164.14340	1.0
166.12216	1.0
168.08182	0.5
170.09605	2.0
175.11171	1.0
182.09607	0.7
182.15445	5.0
184.11264	0.9
184.13310	4.0
187.04955	0.8
188.13051	0.8
191.15492	3.4
192.13821	2.5
193.12082	3.7
194.11772	2.2
198.07784	0.9
199.08594	1.1
199.12410	4.1
200.10698	2.0
200.16541	0.8
209.10677	1.8
210.09149	0.9
210.14886	7.8
211.08659	0.9
211.13272	2.6
211.14911	0.7
212.09137	1.0
212.10736	3.1
213.06528	0.7
214.07411	1.0
219.14943	11.4
220.13181	0.7
225.06586	0.8
225.10164	1.2
226.07224	1.0
227.08122	2.5
227.11748	9.7
228.10176	1.2
228.16026	1.9
229.16086	2.6
237.10127	1.1
237.16031	6.7
239.08121	3.0
240.08864	3.8
241.09689	0.9
242.10469	0.8
242.15419	1.2
243.11288	4.2
245.09308	0.6
245.12825	4.3
253.09665	0.8
255.08598	0.8
255.11279	23.1
255.17026	12.2
258.09924	1.1
273.12360	29.8
273.18088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07318	1.3
55.01880	3.4
55.05519	20.7
57.03438	3.8
57.07081	3.7
57.11992	1.5
61.02928	2.3
67.05508	20.6
69.03436	17.9
69.07073	100.0
70.06595	16.6
70.07389	4.3
71.05005	3.7
71.08627	3.7
73.02897	2.2
77.45603	1.4
79.05479	11.4
81.03420	21.3
81.07067	29.1
83.04982	10.6
83.08623	7.5
85.02911	33.7
91.05465	8.5
91.72949	1.7
93.07040	18.1
95.04971	7.5
95.08605	21.3
95.58344	1.8
97.02867	11.4
97.06501	3.3
97.10221	2.1
98.97571	3.2
99.04449	3.3
99.08083	3.3
103.03954	2.1
105.07030	14.6
107.04950	3.4
107.08588	15.9
109.02872	3.1
109.06521	2.8
109.10171	16.6
111.04445	9.0
111.11704	10.5
115.03883	2.0
117.07016	7.1
119.08578	8.5
121.06496	3.3
121.10136	8.2
123.04431	11.9
123.08035	2.2
123.11719	10.3
125.09608	4.1
127.03922	4.2
127.11192	2.0
131.08572	7.4
133.10150	8.5
135.08057	4.1
135.11685	3.5
139.11145	3.1
141.12775	2.5
144.08112	7.9
145.05037	3.2
145.06511	1.6
145.10115	11.5
147.11697	4.2
149.09636	2.8
149.13260	3.2
151.11237	3.4
153.12726	3.9
157.10088	2.0
158.09566	1.8
159.09140	2.3
159.11714	6.9
159.51326	1.7
161.07147	2.0
161.09651	3.0
161.13248	24.5
163.11201	6.8
170.09601	2.7
170.99664	2.6
171.11685	2.0
173.13211	2.5
185.07040	2.6
188.12975	2.1
189.00745	3.5
191.14262	1.9
195.13823	4.1
207.13745	2.7
219.13776	2.4
227.11852	1.9
228.10109	3.6
237.14906	4.4
242.15373	12.7
254.79184	1.9
255.11311	3.5
255.18623	2.0
255.21135	9.0
256.33447	2.1
273.12451	17.2
273.16574	8.4
273.18900	13.6
273.22202	16.1
273.25192	3.2
291.03824	2.3
292.03989	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	273.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81884	0.9
65.62170	0.9
76.23132	1.0
81.07069	1.3
93.06952	1.0
99.04446	1.9
107.08603	1.1
130.06538	6.2
131.07301	14.3
132.08093	2.1
143.07309	2.7
144.08093	34.6
145.08847	16.1
145.09991	1.4
156.81580	1.3
157.07593	1.5
157.08865	39.9
157.10089	2.1
158.09671	7.2
159.09189	7.2
161.13260	5.0
169.08907	5.7
170.05984	4.2
170.09668	18.7
171.10413	1.7
174.11548	17.2
181.08849	8.5
182.09641	9.1
183.10464	16.2
184.11243	5.1
185.07043	1.8
187.08623	1.5
188.13080	4.8
195.10403	10.9
196.11217	38.9
197.08353	2.0
198.09137	24.3
198.12920	1.4
210.12766	23.9
211.13606	1.9
212.10712	9.7
212.14429	1.9
216.10197	23.4
224.10701	12.8
227.08061	2.2
230.11703	19.1
238.12238	2.2
242.09273	2.5
242.11751	55.5
242.15541	5.0
244.13324	6.1
245.09189	4.7
256.13312	100.0
273.11731	1.1
273.12711	1.4
273.16028	28.1
273.19543	13.9
273.22189	2.3
280.87833	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19929	0.7
58.06608	32.0
59.93084	0.8
60.06082	0.8
85.64586	0.8
117.04987	1.5
117.05757	17.5
118.06557	13.9
130.06525	15.0
131.07304	16.2
143.07314	5.0
144.08087	32.0
156.08102	4.7
158.09674	4.7
168.08069	7.7
169.08870	6.0
170.09645	47.8
171.10420	9.0
173.10703	1.1
174.11528	36.0
181.08859	9.6
182.09656	4.0
183.06787	6.4
184.07591	1.1
184.11230	9.0
187.12260	1.9
188.13089	25.4
195.10489	1.7
196.11195	39.3
198.09129	35.3
198.12849	1.5
202.12280	14.0
208.11195	5.6
210.12799	19.6
212.10744	2.1
216.10208	67.4
224.10690	13.3
228.13834	39.5
228.15927	1.8
230.11661	8.8
239.95912	1.0
242.11751	63.5
273.07593	5.4
273.16049	26.8
273.19617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19929	0.7
58.06608	32.0
59.93084	0.8
60.06082	0.8
85.64586	0.8
117.04987	1.5
117.05757	17.5
118.06557	13.9
130.06525	15.0
131.07304	16.2
143.07314	5.0
144.08087	32.0
156.08102	4.7
158.09674	4.7
168.08069	7.7
169.08870	6.0
170.09645	47.8
171.10420	9.0
173.10703	1.1
174.11528	36.0
181.08859	9.6
182.09656	4.0
183.06787	6.4
184.07591	1.1
184.11230	9.0
187.12260	1.9
188.13089	25.4
195.10489	1.7
196.11195	39.3
198.09129	35.3
198.12849	1.5
202.12280	14.0
208.11195	5.6
210.12799	19.6
212.10744	2.1
216.10208	67.4
224.10690	13.3
228.13834	39.5
228.15927	1.8
230.11661	8.8
239.95912	1.0
242.11751	63.5
273.07593	5.4
273.16049	26.8
273.19617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1235
Annotation	Limazepine C
Peak:m/z	Relative Intensity
55.05510	0.7
55.16810	0.6
63.95803	0.6
65.03952	4.9
67.05515	37.0
69.03419	0.6
70.06586	1.5
72.08149	1.3
79.05476	0.9
81.03426	0.7
81.07064	0.8
83.04980	0.9
84.08150	0.7
92.05003	1.4
92.45231	0.7
94.06554	1.1
95.04977	14.9
96.04504	2.7
101.62512	0.6
103.04044	0.6
105.06966	1.0
117.25478	0.7
120.04465	3.3
122.06048	6.4
124.07632	0.9
125.09650	1.2
132.04527	0.9
133.04781	1.0
136.07527	1.4
140.29747	0.7
143.06041	0.9
144.08118	3.4
158.09656	0.9
160.07576	11.4
161.07106	100.0
162.05489	1.5
167.08543	0.9
169.08852	1.3
170.09654	0.9
172.11191	1.3
175.08679	3.3
179.07899	0.7
182.09647	2.9
184.11267	3.4
186.09229	1.5
187.04977	2.6
195.06764	1.0
197.06950	1.4
197.08519	1.6
198.07901	2.9
198.11589	0.9
199.08658	3.6
199.12335	11.8
200.10750	3.6
201.06592	1.1
209.10750	3.6
210.09181	4.0
211.08737	3.4
212.09178	3.5
212.11073	7.2
213.06544	0.9
214.07423	2.5
215.08206	0.9
215.11745	1.2
217.09779	0.9
222.07986	1.2
225.06654	1.0
225.10199	4.1
226.07251	2.8
226.11023	1.6
227.08363	5.9
227.11794	27.3
228.10339	6.9
229.09615	1.3
237.10234	4.1
239.08247	8.3
240.08960	10.7
241.09674	3.1
242.10568	4.1
242.15439	3.4
243.11336	8.3
245.09189	0.9
245.12880	9.2
253.09639	3.0
255.11288	52.5
256.09692	1.4
258.10059	6.3
261.79874	0.7
273.12341	71.3
273.18259	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	272.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06984	3.0
57.07283	0.8
58.06517	0.8
66.63454	0.3
69.49744	0.3
69.61785	0.3
70.06507	1.5
70.06831	0.4
71.08521	2.6
71.08947	0.6
72.08072	1.1
85.10078	1.4
86.05952	14.1
86.06527	1.5
88.22231	0.3
100.07498	22.2
100.08215	1.8
104.07006	1.4
118.08530	3.8
136.63545	0.4
152.27937	0.3
212.23666	1.7
217.14952	0.4
254.24773	100.0
272.25851	48.7
272.28940	0.5
272.47504	0.4
281.99670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	2.9
57.07077	3.4
58.06601	1.4
63.66039	0.3
69.07072	0.3
70.06587	0.4
71.08626	1.8
85.10184	0.7
86.06074	1.5
87.06847	0.8
90.05544	3.9
100.07621	100.0
101.60777	0.4
104.07101	3.9
112.76709	0.3
125.46815	0.3
132.69482	0.4
163.01355	0.4
170.09653	0.7
171.09976	2.4
172.10652	0.6
202.14603	0.3
203.15012	1.7
203.20369	0.3
236.34834	0.4
254.24774	9.9
258.98105	0.3
272.22238	3.1
272.25833	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2586
Annotation	C16 Sphingosine
Peak:m/z	Relative Intensity
57.07079	4.2
58.06618	2.8
70.06596	1.0
71.08640	2.6
72.08155	1.6
85.10194	0.9
86.06078	12.8
93.72578	0.4
100.07626	27.0
104.07137	1.8
105.96219	0.4
118.08655	3.9
154.39464	0.4
164.32742	0.4
210.18669	0.4
211.00914	0.4
212.23790	1.7
225.18491	0.4
254.24791	100.0
272.25848	46.8
278.93506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2584
Annotation	142-58-5
Peak:m/z	Relative Intensity
57.07078	4.7
58.06583	1.1
62.06092	4.9
65.84201	0.5
71.08605	2.6
85.10178	1.0
86.06059	3.4
87.04470	8.8
91.30746	0.5
91.36462	0.6
102.42016	0.6
104.55595	0.6
108.63270	0.5
114.20132	0.5
144.08017	1.1
145.08432	1.3
170.09627	2.8
171.10007	5.6
172.10728	1.2
203.14969	2.6
212.21851	1.1
212.23743	18.3
230.24786	100.0
254.24806	11.3
272.22055	4.9
272.25833	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2585
Annotation	142-58-5
Peak:m/z	Relative Intensity
50.54185	0.6
55.54186	0.6
56.05037	3.1
56.66486	0.6
57.07074	3.2
65.49993	0.7
68.67506	0.7
71.08599	0.9
71.37675	0.7
78.02071	0.8
92.18446	0.7
100.07623	100.0
104.07109	1.6
105.48373	0.7
107.68430	0.7
115.06029	0.7
117.95992	1.0
169.82425	0.8
199.14787	0.8
254.24812	11.0
272.25833	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65032	0.6
53.88375	0.5
56.53814	0.6
60.01913	0.6
66.97766	0.7
70.06586	1.4
71.06951	0.8
72.04508	2.5
72.08153	3.8
73.08486	1.3
84.05610	1.0
93.77509	0.7
99.04459	11.0
100.04803	7.8
100.07633	0.8
110.06030	1.3
111.06374	3.4
112.88983	0.6
113.10764	2.6
114.09180	16.0
114.11066	0.9
115.08748	1.1
115.09498	13.7
116.09034	0.7
131.11813	1.0
132.12172	0.9
146.96545	0.7
151.12202	0.8
152.10722	15.2
152.12628	1.3
153.11057	33.6
156.11324	1.2
157.11667	0.8
169.13368	7.6
170.13719	13.4
174.14326	0.8
188.05267	0.7
211.14389	0.9
212.14809	8.4
213.14323	2.7
214.12715	0.8
230.15828	5.1
255.15329	2.6
258.74756	0.7
272.17957	100.0
276.29758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00730	0.5
55.05523	0.4
56.42450	0.4
60.05668	0.6
60.34301	0.4
60.91610	0.5
70.06596	8.1
72.08156	7.4
84.05633	100.0
84.08157	0.6
85.02911	1.0
85.06422	0.8
93.07085	1.0
96.05617	2.2
98.06014	0.6
114.09181	0.5
114.10297	2.5
116.07065	0.6
117.06966	0.7
127.08672	2.8
131.13005	0.8
134.09660	2.0
141.10211	0.6
143.62933	0.6
151.03972	0.6
155.08148	0.5
157.10924	0.7
163.03902	7.9
163.42256	0.6
176.11902	2.7
187.03827	0.6
194.12962	3.0
195.06548	0.8
196.10866	0.5
198.14420	0.7
202.78400	0.6
205.27135	0.5
215.13989	0.6
231.06540	1.2
234.11363	2.1
236.13972	7.5
237.00768	0.7
242.60307	0.8
254.14986	59.3
263.19806	0.6
263.63779	1.2
272.12497	1.0
272.15924	23.7
283.06085	0.6
293.16202	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	272.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40617	0.5
66.29836	0.5
68.63348	0.5
69.73240	0.5
70.06589	10.0
72.08158	4.3
83.20903	0.6
84.05637	100.0
85.06431	1.1
96.05594	1.4
114.09158	3.0
114.10303	1.0
115.09500	1.4
127.08685	6.4
131.12936	0.7
133.04695	0.6
134.09645	3.2
141.93530	0.6
144.43150	0.7
155.08113	4.5
159.09532	0.7
163.03911	3.8
166.13408	0.9
168.73877	0.6
176.11844	2.9
194.12929	2.5
197.13976	1.0
198.14299	3.5
213.14262	1.0
215.13937	1.1
234.11263	1.3
236.13966	7.1
254.14993	60.7
258.28250	0.7
268.90012	0.8
272.12366	1.9
272.15820	8.4
272.18463	20.9
292.36383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05542	0.7
55.09472	0.5
60.04515	3.6
60.05660	15.2
67.05511	0.8
69.21629	0.6
70.06583	1.2
72.04504	1.0
72.05636	0.9
72.08147	3.1
76.00903	0.7
79.05505	1.7
81.07072	7.4
84.05619	3.6
84.08121	1.0
86.03537	3.7
87.05589	0.8
88.03982	9.4
88.05112	1.5
91.05503	0.8
93.07050	4.2
95.08607	4.1
96.04530	0.7
96.05623	13.5
98.02406	2.9
98.03529	4.3
98.06044	1.1
99.04353	1.5
100.05108	100.0
102.06643	2.8
104.10774	1.2
105.07007	1.0
107.04965	1.1
107.08616	9.5
109.06527	13.9
112.05087	5.0
114.06664	13.0
115.05037	0.8
116.03455	8.4
117.07000	2.9
119.08578	1.6
123.08080	4.5
126.06622	1.6
128.04581	4.0
130.06140	10.1
132.07677	1.1
133.06488	0.7
134.09639	7.4
135.08038	6.5
138.10278	1.4
140.04587	2.9
141.09084	1.2
142.06131	0.9
145.06432	0.7
150.09114	2.4
152.10698	0.8
154.06189	0.8
158.05623	28.2
162.09135	8.0
163.07565	3.6
164.11913	1.0
172.07167	2.9
176.11884	1.4
177.10210	1.1
180.10146	7.3
190.08234	15.6
192.11368	2.7
194.13031	1.1
198.11313	3.1
204.11301	4.3
207.03452	0.6
210.12373	0.9
222.12425	8.9
236.14061	0.9
240.13422	22.3
254.14981	6.1
272.16064	54.9
272.50394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08657	0.2
57.51296	0.2
59.75753	0.2
72.31547	0.2
92.18433	0.3
95.73232	0.2
224.77533	0.2
243.10483	0.3
244.11194	0.2
256.11310	0.8
272.14337	100.0
293.28586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70711	0.1
57.05115	0.1
66.08376	0.1
88.01682	0.1
90.68450	0.1
96.76991	0.1
110.46481	0.1
137.59578	0.1
144.08098	0.1
170.09601	0.3
171.10045	0.3
207.55180	0.1
243.10420	0.7
244.11266	0.6
256.11240	0.3
272.14337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84750	0.3
55.57878	0.3
57.04551	0.4
57.44399	0.3
60.05658	1.6
84.05637	100.0
85.06441	0.4
88.25748	0.4
107.85605	0.4
110.07153	0.4
166.08644	1.7
167.07048	0.8
180.11395	1.6
182.53398	0.4
192.11513	0.4
195.61707	0.4
208.10825	6.2
226.11864	17.5
236.10303	1.4
254.11325	15.0
272.12415	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04572	0.9
58.64698	0.3
60.05663	0.8
63.19234	0.3
80.75502	0.4
84.05638	100.0
125.40614	0.4
149.05998	0.6
166.08646	1.6
167.07060	0.9
180.11301	0.5
208.10796	5.3
226.11880	16.1
236.10370	1.8
254.11369	11.3
272.12418	80.9
272.17871	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	272.1132
Annotation	N-Acetoxy-MeIQx
Peak:m/z	Relative Intensity
51.52392	0.9
51.83595	1.0
53.03969	0.9
57.03422	5.1
61.02928	2.3
67.05516	2.1
69.03435	15.0
70.06608	11.6
71.04985	6.0
71.11887	1.1
72.08163	9.9
73.02911	6.2
73.05310	2.6
79.05502	1.7
81.03429	11.7
81.07083	1.7
84.04523	1.4
84.08137	2.7
85.02879	2.3
86.06074	2.6
86.09701	4.7
87.04445	1.8
88.39497	1.1
93.07045	1.4
95.08594	1.9
97.02888	2.5
98.06058	7.4
99.04462	14.6
105.04339	1.2
105.07024	4.6
106.06573	2.1
107.08599	4.0
113.96391	2.4
115.03922	1.4
117.05486	7.7
118.06541	10.3
120.04472	31.6
122.06033	13.9
123.08035	4.3
129.10199	1.8
130.06558	1.8
132.04460	97.3
132.95879	1.3
133.06483	1.8
134.06062	8.8
135.08072	2.3
138.05528	10.2
146.06023	11.4
148.11348	1.5
150.05507	37.1
152.05318	1.2
152.10728	1.3
153.05551	4.0
154.06534	2.1
157.90872	1.2
158.05989	4.2
162.05420	1.3
170.05946	1.7
172.07593	16.2
190.08632	5.6
193.13950	1.2
194.11794	2.6
196.74185	1.1
200.03654	1.7
200.07027	12.3
208.13332	7.8
210.02245	1.2
212.12833	2.1
218.08141	34.4
226.14389	16.4
228.03423	1.4
236.09245	7.1
254.10197	17.3
254.13986	1.9
272.11307	100.0
272.14822	11.2
272.17270	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	271.2269
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
50.99356	3.2
52.71601	4.1
55.05511	21.6
57.07087	95.4
62.18970	3.8
67.05522	33.6
69.07069	61.0
71.08642	5.9
79.05493	5.6
81.07069	56.6
83.08614	37.2
85.06551	90.7
91.05570	4.4
93.07048	7.5
95.08601	50.0
97.06514	4.4
97.10162	26.2
105.07051	5.2
107.08599	8.5
109.10155	26.9
111.11727	9.7
113.09657	4.4
119.08594	7.5
121.10143	7.9
123.11713	21.8
133.10168	9.6
135.06366	4.2
135.11708	23.4
137.09679	5.2
137.13274	18.2
147.11720	6.2
151.11198	5.4
151.14862	9.0
161.13255	16.8
217.19528	25.8
225.22339	6.4
234.64230	3.9
235.20468	5.6
253.21657	8.4
271.17813	12.6
271.20560	4.5
271.22711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	39.6
57.07081	9.8
61.69348	5.1
65.64452	5.6
67.05515	38.6
69.07076	100.0
71.08630	6.9
74.23885	4.8
79.05497	10.3
81.07069	80.6
83.08638	40.1
91.05506	9.1
93.07047	27.7
95.08612	82.2
97.06523	6.7
97.10185	48.3
105.07056	10.1
107.08582	27.0
109.10156	34.8
111.11717	9.0
119.08564	23.6
121.10143	39.9
123.11716	21.3
125.09595	7.3
133.10114	35.4
135.11713	32.9
137.09662	10.3
137.13251	10.6
147.11700	26.5
149.13261	7.2
151.11197	6.1
154.49908	6.7
157.10173	10.0
161.13313	8.3
170.09680	25.6
189.16505	8.0
192.62135	6.6
193.19498	20.5
217.19600	40.6
223.16483	6.3
235.20586	44.0
242.65143	8.3
253.19395	10.5
253.21721	6.6
271.09857	5.9
271.17874	10.9
271.20520	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	271.2269
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
54.15479	1.5
55.05519	40.2
55.49178	1.7
57.07092	18.9
58.85480	1.7
66.93403	1.7
67.05508	41.2
68.59631	1.6
69.06698	3.3
69.07076	100.0
71.04979	2.9
71.08623	4.4
76.83484	1.7
79.05501	15.7
81.07063	77.8
83.04987	4.2
83.08183	2.9
83.08628	58.7
85.06540	6.7
91.05479	14.2
93.07041	30.6
95.08605	86.2
97.06543	7.7
97.10172	58.9
99.08106	4.3
105.07041	19.6
107.08611	22.5
109.10159	47.3
111.08117	3.0
111.11723	25.0
119.08579	31.8
121.10139	33.6
123.08057	8.1
123.11707	23.2
125.13232	3.9
130.99983	3.5
133.10147	34.2
135.11679	28.6
137.09627	11.4
137.13258	11.7
139.11134	6.9
145.01657	2.0
147.11688	30.0
149.13274	7.2
151.11147	14.5
151.14818	9.6
153.12790	9.4
161.13237	19.3
163.14871	2.0
165.12767	13.1
174.91994	1.7
175.14868	8.4
179.14328	9.8
187.02545	1.9
189.16473	2.6
193.19543	15.8
211.20457	2.8
215.02127	2.2
217.19507	50.4
219.01761	1.9
235.20560	41.0
253.21605	16.7
271.08401	3.3
271.18112	3.2
271.22485	3.1
286.82053	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	271.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06582	0.8
63.13901	0.5
65.99730	0.6
85.48158	0.6
94.26154	0.7
118.50933	0.7
118.92603	0.6
132.18860	0.6
144.08095	25.1
145.08809	1.4
147.54233	0.6
158.09621	2.4
170.09644	100.0
171.10442	37.6
171.86942	0.6
201.12206	0.7
201.13771	4.9
202.14656	53.7
202.47752	0.6
271.21683	96.3
275.87927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82652	0.4
61.57936	0.4
69.07058	0.6
71.04965	0.5
72.08154	1.8
81.07051	0.6
83.08618	0.5
95.08598	0.6
108.22274	0.4
114.10300	2.3
119.08611	0.6
121.10110	0.7
141.12894	0.5
144.06963	1.0
144.08093	27.5
145.08899	1.0
145.10034	0.6
158.09636	1.8
159.11725	0.5
161.13223	0.5
170.09657	100.0
171.10434	37.8
174.11574	0.5
186.11555	0.7
187.12453	0.7
201.13911	5.1
202.14667	57.5
203.15504	0.5
211.21767	0.7
212.20122	3.7
242.10213	0.4
242.65195	1.8
254.22321	0.7
271.21725	92.3
271.24756	6.7
280.47784	0.4
294.68622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.4
58.06594	0.5
67.91808	0.5
70.06592	2.1
71.04988	0.6
72.08159	4.5
79.05491	0.7
88.61591	0.5
95.13593	0.5
98.06039	2.3
105.07048	0.8
114.10331	0.8
115.08714	0.8
115.22926	0.5
116.05326	0.8
131.12904	2.4
144.08095	27.9
145.08861	0.7
157.10844	2.6
158.09665	6.5
163.03899	2.7
170.09650	100.0
171.09232	1.4
171.10432	36.5
186.11522	2.7
187.12256	2.1
201.13921	5.1
202.14659	52.4
242.15416	1.3
256.15677	1.1
262.62894	6.4
271.06558	0.9
271.15082	1.9
271.18097	38.3
271.21695	95.3
292.15469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14682	0.3
58.06608	1.5
82.06596	0.4
87.74800	0.3
96.85818	0.4
106.03848	0.4
124.54319	0.4
144.08096	26.4
145.08833	0.8
158.09662	2.6
170.09650	100.0
171.10426	32.1
172.11195	0.4
199.56987	0.4
201.13910	4.8
202.12701	0.7
202.14655	46.0
271.21692	67.8
284.56766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68445	0.2
53.58253	0.3
54.66617	0.3
58.06612	0.5
66.68089	0.3
75.99419	0.3
94.08957	0.3
109.87389	0.3
144.08087	26.3
145.08850	1.3
158.09668	1.7
159.10400	0.4
170.09645	100.0
171.10428	33.7
186.11548	0.3
187.12227	0.5
187.70856	0.3
201.13890	5.5
202.14653	51.8
203.15546	0.4
240.17302	0.4
271.21683	80.9
274.68066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70306	0.1
53.80334	0.2
54.11075	0.2
58.06598	0.8
58.66880	0.2
99.18993	0.2
144.08084	27.8
145.08855	1.0
146.97971	0.2
158.09654	2.0
170.09636	100.0
171.10417	32.8
186.11513	0.3
201.13867	5.4
202.14642	46.4
203.15417	0.3
252.29190	0.2
252.53879	0.2
271.21671	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2057
Annotation	Clathrin B
Peak:m/z	Relative Intensity
50.74400	0.5
53.59029	0.5
55.05529	0.9
57.07085	5.3
58.06600	0.8
62.06092	5.3
69.07074	0.7
71.08637	4.0
81.07053	0.8
83.08602	0.6
91.05463	0.7
93.07027	0.7
95.08604	2.7
97.10147	1.0
105.07052	0.8
107.08573	1.3
109.10157	1.1
121.10132	3.2
131.08560	1.1
133.06502	4.3
133.10117	2.2
143.08601	0.7
144.08110	1.0
145.10158	2.3
147.08063	0.6
147.11681	4.3
157.10144	5.4
159.10457	0.9
159.11650	4.4
163.11208	1.1
170.09727	2.0
171.11783	1.1
173.13268	0.6
175.11186	24.2
183.11671	0.8
189.12709	1.9
197.13422	0.6
197.72246	0.5
199.44159	0.6
201.12845	0.7
204.11130	0.5
211.14799	2.0
212.23729	5.3
215.14392	0.8
217.09158	0.7
225.16289	0.7
229.15878	2.8
230.24788	100.0
253.19547	9.6
257.85904	0.6
271.17999	1.7
271.20566	23.8
271.23672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.181
Annotation	N-Methyl-huperzine B
Peak:m/z	Relative Intensity
54.55692	0.5
55.05512	0.6
58.06609	5.8
59.33867	0.6
65.72675	0.5
69.03408	0.9
70.06601	8.7
71.04996	0.8
72.08157	4.2
73.02924	0.7
78.95802	0.6
82.06574	1.3
84.05652	5.7
84.08145	4.4
85.02917	1.0
85.05949	1.1
95.04979	0.8
96.08127	0.9
98.06068	0.6
98.97585	1.6
108.08118	7.2
110.07147	1.5
111.02045	0.8
112.07607	3.1
114.09174	1.3
116.98604	0.9
119.01908	1.4
120.08157	0.8
128.10721	4.2
129.30499	0.7
132.08051	1.2
134.09647	2.5
137.04558	1.1
138.05501	3.5
138.09120	0.7
139.05913	4.7
142.04097	0.7
144.08072	7.0
146.09599	1.1
150.05527	1.1
150.09113	1.5
152.10724	1.2
158.09662	13.0
159.05040	0.7
160.05217	1.1
167.07185	0.7
170.09618	3.7
172.11209	1.6
182.09705	3.8
185.02940	1.0
186.03207	1.5
196.11229	1.1
197.13872	1.0
199.12364	0.7
200.10745	1.4
201.13809	2.7
204.04285	2.6
209.04779	5.8
210.09120	2.6
211.09937	1.0
212.14229	0.8
213.13879	28.5
214.12288	6.4
225.11519	1.1
228.13925	2.8
229.01820	0.7
240.13889	11.8
248.08046	0.7
253.10114	1.3
253.17140	1.1
271.04831	1.2
271.07437	1.5
271.10944	4.2
271.13336	2.9
271.18027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46132	0.4
67.48701	0.4
70.06585	2.1
72.04518	2.0
72.08159	4.6
82.39006	0.4
97.20435	0.5
99.03876	0.7
99.04462	16.2
100.07626	0.9
102.00430	0.5
110.06056	4.8
110.47359	0.5
113.10765	3.2
114.09177	25.0
114.10315	1.1
115.08661	1.0
125.88167	0.6
131.11807	2.1
151.12299	2.4
152.10712	42.5
156.11308	2.9
158.09239	1.0
167.11732	0.5
169.13361	15.2
170.11774	0.8
173.13927	0.6
211.14409	6.9
212.13994	3.5
212.73572	0.5
213.12346	1.1
214.83615	0.5
229.15462	4.9
254.14999	3.0
271.17648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19109	0.2
51.45185	0.2
55.05495	0.2
57.30205	0.2
60.04514	0.2
65.55518	0.2
70.06583	0.3
72.04507	1.2
72.08160	4.2
84.05638	5.1
95.19399	0.2
114.09173	14.3
119.42387	0.2
138.10300	1.7
152.10654	1.7
158.07939	0.3
158.09251	7.3
170.05676	0.2
175.06113	0.2
194.88576	0.2
197.13980	24.0
197.57193	0.2
210.12314	0.7
212.14000	4.3
225.13239	0.3
229.16653	0.8
254.14975	1.0
271.11752	2.3
271.17645	100.0
275.54520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92682	0.3
57.57227	0.3
67.68732	0.3
72.04516	0.4
72.08163	2.8
83.36044	0.3
84.05643	4.4
91.03548	0.3
114.09171	13.2
120.26864	0.3
138.10271	1.8
152.10751	0.4
158.09241	6.7
175.95300	0.4
197.13976	23.9
210.12599	0.4
212.13934	4.4
271.17645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56339	0.3
67.75127	0.3
70.06580	0.4
72.04516	1.8
72.08154	3.7
84.05626	5.7
89.00125	0.3
92.18473	0.6
92.88697	0.3
111.42670	0.3
114.08377	0.6
114.09174	14.2
134.10228	0.4
135.44720	0.3
138.10294	3.2
152.10712	1.6
158.09239	6.9
191.79886	0.4
197.13977	24.1
210.12436	0.4
212.13927	4.4
229.16641	0.5
253.16557	2.8
271.17645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
56.86849	4.4
58.45399	5.0
59.03422	5.4
68.71764	5.3
81.07069	5.5
83.08614	5.7
108.08113	9.7
144.08101	23.0
154.71062	5.4
170.09668	30.9
171.10373	9.6
197.08281	7.3
198.12762	10.2
202.14590	7.6
211.09952	28.6
213.10246	8.1
215.15331	6.5
226.12329	55.8
228.12701	37.4
243.14865	21.8
256.12238	22.0
271.14444	100.0
271.17761	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	271.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.4
57.56416	4.0
59.15716	3.4
60.05644	8.9
70.06612	31.5
72.08157	100.0
72.81220	3.5
74.58580	4.2
79.64953	4.5
84.08161	8.8
84.34940	4.3
84.67561	3.4
86.09732	4.3
89.10794	5.6
90.19569	3.7
96.04522	3.4
98.06046	39.7
107.88818	3.4
109.38813	3.6
114.09155	3.7
114.10284	31.5
115.08650	27.9
123.04435	7.3
131.12929	29.8
143.54617	4.3
144.08119	4.8
157.10838	16.5
163.03963	18.3
175.22055	3.9
190.08580	4.6
191.07037	4.0
262.62744	32.4
271.11859	28.2
271.14343	25.2
271.17865	44.2
279.06586	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	271.133
Annotation	Conferol B
Peak:m/z	Relative Intensity
50.73434	0.8
61.43698	1.0
79.05505	1.2
87.67708	0.9
91.05476	9.0
91.88963	1.0
93.07044	2.5
95.04979	2.0
101.10921	1.0
103.05470	2.0
105.07034	5.4
106.27177	1.1
107.04958	73.8
119.04949	12.9
120.05715	2.2
121.02888	1.0
121.06510	38.9
130.33875	1.0
131.04935	17.6
131.08578	18.2
133.06512	13.5
141.06949	1.2
144.05711	1.6
144.08110	1.2
145.06497	1.7
147.08043	2.5
153.07025	1.8
155.08511	1.2
159.08064	29.6
165.06992	5.6
169.06389	1.1
169.07678	1.4
169.10132	0.9
178.07791	1.0
179.08540	10.0
181.06500	2.5
182.07338	1.5
183.08051	5.0
207.08078	37.3
210.06773	5.4
211.07635	7.2
212.08293	8.0
224.08292	2.1
225.09099	100.0
227.10698	10.7
235.11206	1.3
238.09981	1.5
249.95195	1.0
253.12206	40.2
271.09787	10.0
271.13190	9.8
271.18137	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1332
Annotation	Conferol B
Peak:m/z	Relative Intensity
54.07643	1.0
54.71966	0.9
54.96003	1.0
56.49933	1.0
57.36875	0.9
59.45292	0.9
64.99797	1.0
68.92346	0.9
80.37397	1.1
91.05482	10.1
93.07059	2.7
95.08614	1.2
103.05472	2.0
105.07047	5.4
107.04959	75.8
119.04956	16.7
121.02895	1.8
121.06507	38.6
131.04945	21.0
131.08563	20.0
133.06490	12.0
135.47853	1.0
141.07005	1.8
144.05690	1.7
144.08160	1.6
145.06471	5.1
147.08063	2.2
158.09665	2.0
159.08055	34.1
159.52510	1.1
163.43120	1.1
165.07002	1.9
169.06459	2.5
179.08595	10.7
182.07300	2.5
183.08078	2.6
196.05324	1.3
197.09697	1.4
201.13913	9.1
207.08054	43.9
207.09938	2.1
210.06839	4.7
211.07541	1.6
212.08409	7.1
224.08347	5.8
225.09099	100.0
227.10675	9.1
228.07526	1.2
235.11363	1.7
253.12241	49.3
271.09741	2.2
271.13254	8.2
271.18066	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	271.0714
Annotation	Chandrananimycin A
Peak:m/z	Relative Intensity
55.05477	0.5
58.10124	0.3
67.05471	0.7
68.64854	0.3
69.07034	0.6
81.07020	2.0
83.08609	0.4
85.12389	0.3
93.07023	0.8
95.08566	1.7
97.10147	0.4
105.06988	0.4
107.08553	0.5
109.10089	0.6
112.27367	0.3
114.09148	0.6
117.05731	1.6
121.10128	0.6
130.06505	0.6
133.10144	0.4
135.11655	0.6
140.04898	0.4
144.08081	2.6
147.04376	0.6
151.03871	0.7
156.08110	0.5
157.10048	0.4
159.11618	0.4
161.13272	4.3
167.05965	1.2
169.07587	2.6
170.09651	9.5
170.15329	0.6
171.10379	2.1
173.95822	0.4
174.11476	0.6
179.14287	0.6
181.07689	0.5
182.09657	0.8
183.05458	0.4
185.07132	3.0
195.05560	10.2
196.11252	0.5
197.07082	0.7
202.14633	1.9
213.06706	2.6
215.09439	0.6
225.06519	0.7
229.06075	10.4
242.65167	5.1
243.07649	100.0
253.19498	0.4
255.65926	1.5
271.07144	64.3
271.20453	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	270.2794
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
50.47109	1.2
51.49906	1.1
56.58176	1.4
57.07076	1.7
58.02947	1.2
71.13278	1.2
92.18366	1.8
102.09167	5.6
115.96478	2.0
116.10764	2.2
130.90704	1.5
161.77594	1.3
165.91524	1.5
255.49527	1.3
270.27908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73543	0.5
56.05037	0.7
58.06600	0.7
59.67559	0.5
60.04525	1.0
60.05604	0.5
61.52628	0.5
68.05037	0.9
69.03442	6.9
69.51711	0.6
70.06548	0.6
71.05006	0.6
72.08174	4.6
74.09640	0.6
84.05639	0.9
84.08115	0.7
86.06055	4.2
87.04464	7.4
91.05473	2.6
103.05450	2.9
104.07117	21.3
105.07052	6.9
107.04912	1.1
114.10262	1.4
117.10641	0.7
118.06586	0.9
120.08102	24.0
121.06541	0.9
129.06976	1.1
130.06525	1.3
131.04903	3.7
131.12927	1.7
132.08095	30.7
134.09656	23.3
144.08113	0.9
146.09676	8.0
166.08604	3.2
170.09653	2.6
178.08592	2.6
188.10638	2.8
201.62334	0.8
206.11774	25.2
211.14487	1.0
217.03436	0.8
224.12805	99.3
226.08684	0.8
252.12360	3.4
270.13348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42471	0.9
56.05029	0.7
57.03430	0.9
57.28297	0.7
60.07114	0.6
70.06593	6.0
71.04999	42.1
72.08159	1.1
84.05634	100.0
85.06414	13.5
88.07643	7.8
91.05481	1.2
93.07021	1.4
94.41239	0.9
95.04972	1.0
96.05626	1.0
100.33476	0.7
104.07096	0.9
106.08686	1.8
107.04965	4.2
108.08122	1.3
109.06392	0.8
110.07179	4.5
111.07508	3.2
119.04938	7.3
121.01102	1.0
121.06516	7.5
123.04430	14.5
127.08655	0.9
131.04880	0.9
136.07578	21.0
137.04573	4.1
138.05554	31.4
147.04414	6.6
148.07581	0.9
149.00587	10.5
149.06064	1.4
151.02202	1.3
151.07547	1.0
156.07686	0.8
163.02135	1.2
165.05508	12.0
181.03218	3.6
182.08163	1.6
183.03482	0.9
188.10716	0.8
193.09778	4.3
206.09320	6.6
206.11719	8.9
224.10408	3.3
224.12794	42.1
224.15031	1.6
225.87685	0.8
229.01553	0.8
252.09831	34.3
252.12224	3.6
252.14561	4.4
270.07742	2.7
270.10828	70.2
270.13431	61.1
280.52695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1085
Annotation	p-Hydroxytriamterene
Peak:m/z	Relative Intensity
56.05038	0.4
57.04568	2.8
62.18454	0.2
65.45567	0.2
68.05022	0.3
70.02983	0.3
70.06577	1.0
72.08149	1.2
74.06983	0.2
76.05132	4.0
79.05484	1.2
80.04986	0.3
80.32005	0.2
81.03382	0.2
81.07069	0.5
82.02942	0.2
83.04845	1.1
84.05631	26.2
85.06386	0.3
88.04004	0.3
91.05513	0.4
93.07052	0.6
95.05014	0.3
96.05621	7.8
97.02885	1.2
97.06467	0.4
98.07172	1.3
100.03974	1.1
100.05102	4.4
102.30472	0.3
105.07014	0.3
107.04971	0.6
109.06422	2.6
110.07184	1.9
111.04427	2.0
114.09170	0.4
118.06532	0.5
120.08113	2.8
121.06467	1.1
122.03495	0.4
123.04337	0.4
124.05054	0.3
124.07534	0.5
126.05476	0.4
127.08632	0.3
131.04901	0.3
133.06509	0.6
134.06030	0.6
134.07094	0.3
136.06177	1.1
136.07576	1.2
143.06915	0.6
146.05977	1.8
148.07631	1.9
149.05986	1.2
149.27148	0.3
152.06982	0.4
154.08466	0.3
156.07732	0.5
159.04375	1.0
162.10242	1.7
163.03929	0.3
164.07069	1.1
166.08533	0.3
167.07094	0.3
174.05559	0.4
177.05466	1.2
178.09731	0.3
180.06503	0.5
190.09816	0.5
192.06494	0.3
193.46707	0.3
194.07988	0.4
206.09264	0.5
208.10808	2.0
210.07642	0.5
226.11905	0.4
240.13358	0.6
242.11311	1.5
252.09850	2.0
252.13417	2.7
270.10849	100.0
270.16980	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	270.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04568	0.7
60.05657	0.7
70.06602	2.9
71.05004	0.6
72.08160	4.2
73.08472	0.6
73.87872	0.3
74.15765	0.3
76.69089	0.4
81.90402	0.4
82.47895	0.4
84.05634	100.0
85.06411	11.1
96.05649	0.8
98.06075	0.5
107.04899	0.5
110.07175	1.9
115.08744	0.4
115.09515	0.5
121.06538	0.6
123.04430	2.7
123.57240	0.5
131.08383	1.7
131.58542	0.7
136.07545	0.4
138.05516	2.0
147.04355	0.4
149.06001	1.5
163.02136	2.0
163.03896	0.8
164.04240	2.1
165.06631	1.5
173.07060	0.5
193.09732	24.9
198.12422	0.7
199.12640	1.6
206.09286	6.5
207.10056	0.4
207.12074	0.4
208.10785	0.5
210.12390	0.5
211.10797	2.9
215.76915	0.4
224.10281	2.2
224.12418	0.5
234.08646	0.7
235.11885	2.4
246.75198	0.4
252.09796	35.4
252.14418	15.9
261.16006	0.4
262.16528	0.5
270.10849	72.8
270.15240	4.8
270.20071	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	270.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43260	0.2
52.89004	0.2
55.05510	0.2
58.99579	0.8
60.04528	0.4
63.80408	0.2
67.05493	0.3
70.02962	1.8
70.03267	0.2
70.06595	2.6
71.04991	0.2
72.08171	1.5
76.02236	2.7
79.05502	6.2
81.07062	1.0
84.04515	0.3
84.08141	0.8
85.38583	0.2
86.09719	0.3
86.99048	0.5
87.04472	0.4
87.05599	0.2
88.03998	2.4
89.04148	0.2
90.56341	0.2
91.05495	0.3
93.06999	0.3
95.04958	0.8
95.08620	0.2
97.06532	0.2
98.06072	0.3
102.05549	2.0
102.59173	0.2
105.00099	2.7
105.07037	0.9
107.04961	100.0
109.06532	1.1
110.07162	0.4
114.10322	0.2
115.08640	0.2
120.01151	0.2
120.08079	0.3
121.06523	0.4
122.02726	19.8
124.07626	0.7
131.04941	2.9
131.12955	0.2
136.07576	0.4
137.05975	2.6
148.07587	0.2
149.05983	19.4
156.07668	0.3
157.10893	1.1
158.89592	0.2
159.11287	0.3
163.03928	0.3
169.13441	0.3
178.12323	0.3
180.21484	0.2
183.14967	0.3
187.02806	0.8
188.10707	0.3
196.09926	0.2
205.03824	0.5
206.08224	0.8
206.11702	0.3
206.54208	0.2
210.05820	0.4
210.07613	0.2
224.09235	1.2
242.19768	0.8
247.04634	0.2
252.09491	0.2
252.12474	1.1
261.61813	0.2
270.07828	2.7
270.13574	1.5
270.16879	0.4
270.19531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2475
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
51.03377	2.6
55.05512	15.1
56.50744	2.1
57.03446	10.5
57.06855	2.4
57.07085	31.0
65.29504	2.6
65.69840	2.2
67.05514	49.0
69.07066	17.2
70.64117	2.8
70.65269	2.2
71.04994	3.7
76.11159	2.4
79.05503	15.5
81.07066	85.7
83.08612	13.0
85.06545	10.5
85.09708	4.1
85.10187	100.0
93.07044	26.5
95.08607	59.3
96.13187	3.1
97.10188	21.4
99.08123	21.5
107.08587	15.2
109.10152	13.2
111.11731	3.6
113.09645	77.1
121.10148	23.5
123.11726	18.4
135.11722	21.4
137.13243	5.6
141.12753	5.4
149.13286	16.3
151.14841	5.6
151.21378	2.8
191.18121	2.6
202.15056	2.7
233.22667	20.1
251.23753	4.9
269.24722	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26197	0.6
55.05516	0.6
60.05662	10.5
67.05517	0.7
69.07047	0.9
70.06590	0.9
72.05627	1.0
72.08162	93.1
74.74050	0.8
74.86214	0.6
82.06573	1.2
83.04978	1.1
84.05634	43.9
84.08149	12.1
92.87411	0.6
93.07056	1.3
95.08640	0.6
97.07628	1.3
101.10760	1.6
112.08702	1.1
113.07124	2.4
114.10302	10.6
115.54520	0.7
121.10126	3.7
127.11226	0.8
131.12918	12.1
138.10255	3.8
138.12791	10.2
155.12903	3.0
180.14957	10.9
192.13802	0.8
198.12390	56.6
198.16006	14.6
234.19572	0.7
251.22301	48.6
252.17030	2.8
252.20692	3.5
255.13120	0.7
269.19754	100.0
269.23358	52.9
282.79187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.5
57.07071	2.9
58.42390	0.5
58.88008	0.4
67.05510	4.0
67.44920	0.4
69.07076	4.1
71.04966	0.4
71.08621	0.6
74.29280	0.6
79.05492	3.5
81.07066	11.0
83.08616	3.4
85.10169	1.0
86.46741	0.5
91.05476	2.5
93.07055	5.8
95.08601	13.0
97.10181	0.7
105.07023	6.2
107.08602	7.7
109.10163	13.0
117.07038	0.7
119.08599	8.2
121.10149	6.0
122.22172	0.5
122.69979	0.6
123.11703	6.4
128.06262	0.6
129.06996	3.1
131.08572	5.8
133.10098	7.4
133.54913	0.5
135.11671	4.9
137.13316	0.7
141.12759	0.8
141.89854	0.5
143.08543	7.5
145.10133	7.4
147.11729	5.4
149.13263	1.9
155.10680	3.9
157.10153	9.1
159.11707	8.7
161.13266	7.8
169.10143	1.0
170.10918	0.7
171.11694	14.6
173.13277	6.5
175.14804	5.0
183.11768	0.7
184.12437	0.9
185.13269	10.4
187.14824	7.9
189.16405	0.7
197.13312	1.1
199.14819	13.2
200.13068	1.1
201.16412	3.1
211.14827	2.9
212.15570	0.7
213.16391	12.7
214.17134	0.8
214.72688	0.6
223.20596	0.8
225.16344	2.0
226.17188	2.6
227.17938	8.5
241.19461	4.9
254.20367	0.8
269.22650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2267
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
51.66753	1.2
55.05511	3.1
56.02737	1.4
57.03423	1.4
57.07079	3.1
57.22429	1.2
67.05517	9.8
67.05798	1.2
69.07079	10.1
71.04960	2.3
77.59339	1.3
79.05486	2.9
79.21673	1.2
81.07062	17.3
83.08603	5.4
91.05442	3.1
93.07047	16.8
94.41310	1.2
94.57219	1.4
95.08612	13.5
97.06451	1.7
97.10157	2.2
105.07021	11.7
107.08620	11.4
109.10171	12.9
117.07008	2.2
119.08580	11.2
121.10145	9.7
123.11696	10.5
129.07004	2.9
131.08569	10.7
133.10158	9.3
133.11035	1.4
135.11713	7.4
138.46094	1.4
143.08548	8.6
145.10152	11.9
147.11661	15.0
149.13264	6.1
157.10106	7.8
159.11635	9.5
161.13242	6.7
171.11694	20.6
173.13220	7.1
175.14780	2.3
185.13287	15.8
187.14825	9.3
199.14867	15.7
201.16357	2.4
213.16374	19.9
225.16356	1.3
226.17183	1.4
227.17903	8.2
241.19576	2.1
251.20172	2.9
269.19513	8.7
269.22626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2114
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
55.01889	16.7
55.05513	8.3
57.03452	5.0
57.07092	36.1
61.23943	2.4
67.05180	3.8
67.05515	68.7
69.07076	21.6
71.05005	3.8
71.08653	2.4
75.12925	2.0
79.05495	12.0
81.07066	68.5
83.04987	5.2
83.08633	3.8
85.06560	36.9
87.82997	2.1
91.05503	3.7
93.07043	30.7
95.08047	4.3
95.08614	80.4
97.06526	30.4
97.10151	3.9
105.06984	2.6
107.08590	12.7
109.10163	47.5
113.09656	35.1
119.08585	3.1
121.10155	25.7
123.11730	25.3
127.07543	14.8
131.08536	5.2
133.10135	14.5
135.11702	16.2
137.09654	4.0
137.13283	3.6
139.11174	5.0
145.10101	2.9
145.46523	2.3
147.11627	4.1
149.09669	2.9
149.13232	18.0
151.11177	2.5
159.11726	5.6
163.11131	3.2
167.14351	17.9
173.13287	3.3
181.12192	2.3
205.19537	3.9
215.18004	4.0
223.20621	4.3
233.18991	5.5
251.20079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
55.05516	16.9
60.98801	2.3
64.13894	1.8
67.05501	13.0
69.03442	3.0
69.07060	5.0
71.08631	5.1
79.05499	10.7
81.03419	3.2
81.07064	16.3
83.04966	2.6
83.08633	28.9
86.25989	2.2
91.05476	5.1
93.07011	18.6
95.04989	3.9
95.08615	11.4
97.06438	2.4
99.08124	7.7
105.07030	3.1
107.08607	11.1
109.10183	3.0
110.03711	2.4
111.04429	2.6
111.08071	4.0
119.08624	2.9
121.06485	10.9
121.10136	13.8
125.09641	2.3
131.04933	5.1
131.08606	3.0
133.10129	3.2
135.11664	4.8
138.47922	2.6
139.11217	3.3
141.90952	2.0
147.04559	2.9
149.05998	20.3
149.13385	2.2
151.11238	2.8
155.06960	2.6
159.04462	5.0
165.23195	1.8
167.07050	29.8
169.12193	3.1
177.05482	100.0
177.91000	2.2
191.07133	2.1
195.13811	3.8
209.08069	20.6
222.88144	2.2
223.09749	3.6
227.09180	10.6
233.19080	4.7
251.20093	12.1
269.07925	3.1
269.17218	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	269.2113
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01883	6.8
55.05524	30.1
55.36427	1.8
56.68620	1.5
57.07090	61.5
59.20362	1.3
60.03694	1.7
60.11264	1.3
66.46094	1.6
67.05518	40.8
69.07068	11.4
71.04980	2.9
79.05489	17.7
81.07070	49.2
83.04980	3.1
83.08624	15.9
85.06551	49.7
86.15874	1.9
86.64856	1.6
90.06600	1.6
91.05475	10.7
93.07047	19.3
94.34242	1.6
95.08614	34.3
97.06525	1.8
97.10183	45.5
99.94703	1.8
101.09676	1.7
105.07054	2.9
107.08604	27.2
109.10173	38.9
117.07016	2.0
121.10143	13.4
123.11727	14.0
125.09641	38.6
131.08577	2.5
133.10149	23.6
135.11685	15.4
137.13217	2.2
139.11241	2.5
139.50360	1.8
145.10147	2.4
149.13295	12.3
151.11189	4.2
153.08980	1.8
153.12767	3.9
159.11731	3.4
167.14311	4.3
173.13309	3.9
191.17912	2.4
205.19601	8.6
215.18004	9.9
224.64590	2.6
233.19043	16.6
251.20050	100.0
269.21085	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	269.2113
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
53.05055	1.0
55.01873	5.3
55.05523	13.9
57.03450	12.3
57.06832	1.3
57.07087	28.5
58.72008	1.1
67.05516	56.0
67.87053	1.1
68.72631	0.9
69.03433	1.1
69.07076	31.0
71.04990	5.5
71.08631	17.3
75.17703	1.0
79.05498	24.7
81.07067	100.0
83.04977	4.9
83.08627	19.9
85.06545	8.7
85.10188	73.5
91.05482	7.1
92.18372	1.7
93.07047	42.2
95.04948	1.9
95.08613	65.1
97.06538	13.9
97.10177	15.6
99.08099	26.9
105.07039	2.1
107.08617	21.2
109.10160	21.6
111.08087	7.8
111.11722	5.6
113.09649	56.0
119.08594	4.8
120.72533	1.3
121.09345	2.1
121.10156	42.1
123.11696	17.2
131.08598	5.2
133.10143	6.1
135.08054	1.7
135.11694	27.0
137.09644	1.7
137.13278	5.7
139.11198	13.0
141.09105	5.0
141.12778	9.6
147.11646	1.1
149.09619	1.8
149.13239	20.2
150.13992	1.3
151.14847	5.2
153.12732	2.1
155.10664	2.3
159.11708	5.4
163.14769	1.5
167.14319	1.3
172.21849	1.3
177.05472	2.0
177.12834	2.2
191.17894	1.3
195.13855	5.2
203.12827	10.2
215.17981	4.4
223.20602	4.9
233.19011	4.9
233.22667	13.5
239.23854	1.9
251.20055	41.0
251.23604	4.7
269.17480	15.2
269.20795	3.1
269.22397	2.7
269.24866	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	269.2113
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01870	7.0
55.05523	49.1
57.03435	3.4
57.07088	20.0
62.91146	1.6
63.32208	1.5
65.08607	1.4
66.05891	1.6
67.05515	61.2
69.03432	1.9
69.07085	17.7
71.04979	3.5
79.05511	24.9
81.07066	67.8
82.68519	1.6
83.04977	3.0
83.08630	30.8
85.06543	17.6
91.05484	8.3
93.07053	27.3
95.08615	46.6
97.06500	2.8
97.10174	77.7
107.08606	36.0
109.06506	2.6
109.10164	47.2
111.08107	4.1
114.33679	1.9
117.07050	2.9
119.08569	9.6
121.10160	18.3
123.11701	19.0
125.09634	55.1
130.67270	1.8
131.08560	3.2
133.10112	13.0
133.70222	2.1
135.08043	7.7
135.11681	17.6
137.09637	2.3
139.11284	2.7
142.34402	2.0
147.11528	2.6
149.13211	12.7
151.11121	2.7
153.12784	2.1
159.11749	2.7
162.53993	2.0
171.10213	2.0
173.11774	8.7
173.13179	3.3
177.05489	4.2
189.11249	6.9
205.19519	3.8
213.12675	2.0
215.17937	15.1
223.20531	1.8
233.19022	31.9
251.17494	4.2
251.20038	100.0
253.32483	1.6
269.18811	7.3
269.21185	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	269.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72188	0.7
68.75819	0.6
68.89678	0.6
70.06587	1.2
70.09893	0.7
70.17516	0.6
72.08161	57.6
84.05638	44.6
109.58265	0.7
123.08623	10.0
123.58814	0.9
138.10252	4.2
144.08063	1.0
155.12888	1.4
170.09657	3.8
198.12389	61.2
251.22322	2.9
252.17096	5.0
269.19720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99691	0.7
55.05516	0.6
56.05045	0.7
58.06612	0.8
63.14898	0.6
64.78097	0.7
67.05504	1.4
69.07057	1.2
70.06583	4.4
81.07053	4.3
82.06584	1.3
93.07056	2.9
95.08577	1.1
96.08131	4.0
96.11237	0.8
98.09692	5.7
105.07053	0.9
107.08598	1.4
119.08559	0.9
120.08104	4.8
121.06501	2.9
122.09631	2.8
123.08624	0.9
130.06497	3.0
131.04846	0.7
132.08142	1.5
134.09657	1.3
143.08591	1.0
144.08080	9.3
145.08902	3.0
146.09566	1.0
149.05983	1.6
157.08850	3.6
158.09644	14.7
159.04300	0.9
167.07079	4.8
170.09612	4.1
171.10428	3.6
172.11227	2.9
177.05472	12.0
182.09676	4.6
184.11203	2.8
186.11530	0.9
187.12337	6.3
196.11285	1.8
198.12819	3.7
199.12306	7.3
200.13065	3.8
201.13800	2.8
204.63472	0.8
209.08075	4.1
210.12808	1.4
212.14418	6.3
213.13860	9.1
223.13597	1.2
226.15906	8.1
238.15829	3.0
269.20126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1901
Annotation	3-Methoxyestra-1,3,5(10),16-tetraene
Peak:m/z	Relative Intensity
55.05509	1.1
55.08533	0.6
64.26580	0.7
67.05491	3.4
69.07067	0.7
70.85364	0.6
77.30122	0.6
79.05496	1.5
81.06615	1.5
81.07065	40.0
83.08614	3.9
93.07043	1.4
95.08607	15.1
107.08622	1.0
109.10185	0.7
119.08595	5.7
133.06499	8.4
133.10147	0.9
135.08047	1.2
145.06482	10.4
147.08012	2.7
149.09584	2.9
157.06499	13.5
159.08041	4.3
161.09618	1.0
163.11159	1.3
171.08054	6.5
173.09561	1.1
175.11191	32.5
185.09618	4.6
187.11176	7.6
189.12802	4.8
199.11169	16.0
201.12692	11.3
213.12839	5.9
214.13582	1.0
226.13437	4.8
227.14290	26.3
237.13870	2.8
269.18991	100.0
279.20905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81718	5.0
52.84457	7.1
53.62812	6.0
55.05507	8.7
57.03445	28.4
57.07082	8.6
58.50665	7.6
67.05510	56.2
69.07053	29.1
71.05008	8.7
79.05474	34.7
81.07064	100.0
83.08627	14.7
91.05479	8.9
91.37119	9.2
93.07036	92.0
95.08591	35.5
97.06512	8.4
104.99267	12.2
107.08575	41.2
117.06992	12.2
119.19341	7.5
119.41144	7.0
121.10115	34.5
123.11739	8.2
131.08618	8.7
133.10136	10.6
135.11682	14.4
149.13266	46.4
150.83582	7.5
159.11705	16.0
161.45332	7.8
177.12721	9.1
195.08571	7.4
195.14003	8.6
209.78044	8.1
228.23341	15.4
257.69031	7.3
269.17670	68.2
269.22537	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	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.05513	14.1
57.03446	38.8
57.07083	5.2
60.03628	2.6
64.83739	2.7
67.05510	70.7
68.14924	2.8
69.07076	42.8
71.04980	3.2
71.08655	2.6
75.70325	2.6
79.05497	44.6
81.07059	100.0
83.04966	10.6
83.08632	25.6
85.06552	2.9
91.05486	14.1
93.07050	87.1
95.08598	30.8
97.06528	17.3
103.87376	2.7
105.07003	4.8
107.08590	49.0
109.10168	5.6
111.08089	3.5
117.07020	6.0
121.10159	31.4
131.08505	6.1
133.10114	14.9
135.11708	6.1
143.07034	3.1
149.13255	49.0
159.11661	24.8
177.12694	5.3
183.49635	2.9
195.13823	17.0
228.23228	19.0
269.17441	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32064	6.4
55.05511	9.1
57.03440	7.9
62.07321	7.1
62.60901	7.0
65.57503	8.8
66.76936	6.3
67.05508	67.3
69.07071	16.5
79.05486	29.0
81.07068	100.0
83.04996	10.0
83.08608	15.0
89.33022	7.1
91.05469	11.4
93.07024	60.1
95.08598	42.5
97.06533	14.8
105.07063	8.8
107.08607	41.9
109.10165	15.4
117.07046	12.2
119.08656	8.4
121.10177	18.5
135.11662	11.5
149.06006	11.3
149.13283	18.4
159.11734	19.1
167.07095	10.6
177.05461	57.1
177.12825	9.6
209.08011	9.8
251.20103	11.5
269.17398	61.3
269.22617	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	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
54.86506	3.1
55.01887	5.0
55.05510	23.0
55.05746	3.4
57.03439	35.1
62.16833	3.3
67.05519	65.5
69.07079	39.3
71.04990	4.7
79.05506	39.5
81.07070	100.0
83.04993	17.8
83.08617	22.2
85.06535	8.6
85.58390	3.9
91.05502	14.1
93.07048	82.1
95.04967	5.6
95.08633	37.2
97.06527	15.9
97.10188	6.6
99.08038	4.6
104.99290	6.4
105.07062	4.6
107.08600	46.7
109.10162	16.8
112.33456	4.5
121.10172	35.2
123.11760	5.1
125.09644	9.0
131.08559	5.8
133.10112	14.2
135.11694	8.9
137.13309	4.2
142.96091	4.1
149.13283	42.1
153.35550	4.0
159.11707	20.6
177.12769	6.4
195.13828	15.0
251.20132	8.4
269.17059	66.8
269.19727	21.3
283.65775	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	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.10898	3.4
52.96949	3.6
53.72512	3.2
55.05513	8.3
57.03442	27.8
57.07069	3.2
67.05518	77.6
69.07055	27.4
71.04998	6.6
79.05502	44.4
81.06606	6.6
81.07059	100.0
83.05000	4.3
83.08618	19.7
85.06556	5.6
91.05482	18.8
93.07042	58.5
95.05039	4.1
95.08604	43.7
97.06528	21.8
97.10146	6.4
105.07021	5.3
107.08602	42.3
109.10155	15.5
111.08082	9.0
117.07012	6.3
119.08646	3.9
121.10125	26.0
123.11700	6.9
129.91087	3.5
131.08580	9.1
133.10112	9.1
133.61292	4.1
135.08067	4.7
135.11659	13.8
149.13272	42.2
159.11676	17.9
177.12668	4.9
195.13831	15.3
211.69156	4.3
226.22151	3.8
269.17056	63.0
269.22672	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	269.175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92990	8.9
55.05505	13.0
57.03444	17.1
57.22767	9.2
67.05515	100.0
69.07059	19.3
74.73392	9.7
79.05484	26.3
81.07064	95.7
83.08624	24.9
83.29826	9.3
87.42563	10.3
93.07035	89.0
95.08595	66.4
102.91035	12.5
105.07030	19.5
107.08583	41.8
109.10158	15.5
121.10119	46.2
123.11655	14.1
135.11713	12.0
145.10187	10.8
148.11978	11.0
148.22736	10.5
149.13252	47.9
159.11682	15.8
200.20126	16.8
228.23125	11.1
269.17487	65.5
269.22595	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	269.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75784	3.0
53.10636	2.9
55.05523	16.4
57.03437	25.0
57.07080	15.1
64.31007	4.0
67.05517	55.5
69.07075	31.9
71.05009	4.4
76.59013	3.8
79.05482	29.3
80.18936	4.1
81.07064	100.0
83.04926	4.0
83.08619	21.0
91.05473	9.5
93.07056	60.6
95.05029	4.7
95.08610	33.8
97.06530	20.8
97.10181	3.8
99.08147	4.8
105.07072	3.8
107.08594	46.6
109.10181	4.8
111.08077	5.6
121.06534	4.0
121.10139	27.7
131.08574	5.2
133.10124	6.4
135.07994	4.5
135.11697	8.7
149.13292	35.6
150.33032	4.0
159.11700	25.6
167.07068	4.5
177.05482	4.4
177.12770	5.1
195.13881	7.6
251.20091	7.7
252.09528	4.3
269.17307	63.8
269.22583	4.3
269.26660	34.6
271.66129	3.7
287.08282	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	269.1751
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.01871	3.5
55.05297	0.8
55.05529	15.7
55.07565	0.7
57.03198	1.4
57.03451	26.1
57.07076	5.0
57.24685	0.8
60.87714	0.7
61.72553	0.7
65.03962	1.2
67.05519	67.0
69.07079	29.8
71.04998	11.0
71.08602	1.1
79.05507	33.9
81.03427	2.0
81.03892	0.9
81.07072	100.0
83.04993	9.3
83.08630	22.7
85.06564	8.6
87.28312	0.9
91.04946	0.9
91.05493	17.5
93.07054	73.1
95.04966	6.3
95.08062	1.6
95.08619	32.5
97.06546	19.8
97.10169	7.1
99.08105	4.5
101.68010	0.9
105.07059	9.1
107.08609	40.4
109.06521	3.6
109.10179	10.0
111.08089	11.3
111.11714	1.0
113.06012	1.0
113.09641	1.3
117.07038	12.0
117.94852	0.8
119.08570	1.8
121.06552	0.9
121.10160	27.7
123.11699	7.4
125.09660	3.5
131.08566	12.6
133.10136	15.3
135.08055	1.9
135.11713	14.0
137.13260	0.9
139.11189	5.2
145.10089	1.0
147.11661	4.9
149.09660	1.7
149.13274	45.2
151.11070	1.0
159.11702	27.0
163.11157	1.1
167.14322	0.9
170.09599	0.9
173.13205	1.0
177.05457	1.6
177.12785	14.2
195.10196	1.1
195.13829	15.4
203.12782	0.9
215.17981	1.5
233.19052	3.4
248.89868	1.0
251.20042	19.4
269.17493	79.5
269.20569	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Dendocarbin N
Peak:m/z	Relative Intensity
51.56203	3.5
55.05511	18.1
57.03429	20.0
57.07069	16.6
57.58385	3.5
57.59974	3.3
67.05517	56.6
69.07079	31.5
71.05004	4.9
71.08642	4.8
79.05500	33.8
81.06608	4.9
81.07069	100.0
83.08614	27.5
85.06544	6.6
85.10168	4.3
91.05488	19.1
92.17806	6.6
93.07052	68.4
95.04973	6.8
95.08613	38.3
97.06523	19.7
97.10167	4.5
99.08086	6.5
105.07032	5.2
107.08599	35.0
109.10159	8.0
111.08097	9.6
117.07012	6.0
121.10139	25.7
123.11726	6.6
131.08530	15.6
133.10143	8.8
135.11688	18.9
149.13258	38.1
151.11113	5.0
159.11696	25.6
161.13359	5.4
177.05417	15.4
177.12764	16.9
194.85272	4.0
195.13782	19.0
201.18095	4.1
242.71855	4.0
250.75578	4.2
251.20238	6.9
269.17456	81.0
269.20410	7.0
269.24979	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	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.38892	1.5
55.01860	1.7
55.05527	16.3
57.03447	29.1
67.05184	3.1
67.05519	70.4
69.06746	2.0
69.07080	31.5
71.05016	5.3
74.00940	1.4
75.25317	1.5
75.71036	1.6
79.05502	39.0
81.07072	100.0
83.04983	11.1
83.08630	23.3
85.06527	3.8
86.90010	1.8
91.05466	17.4
93.07050	68.0
95.05003	3.7
95.08615	26.4
97.06535	16.9
99.08076	6.2
104.66885	1.8
105.07047	8.4
107.08605	33.1
109.06521	1.8
109.10142	2.3
111.08088	10.0
111.11683	2.1
117.07008	9.0
119.08593	2.8
120.08869	1.7
121.10180	23.7
123.11710	6.3
127.07567	2.5
131.08574	11.5
133.10176	12.7
135.11722	11.9
149.13272	41.8
159.11687	30.1
161.13289	2.0
177.12770	15.7
195.13797	15.0
269.17508	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	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.05512	15.2
57.03448	26.6
57.07080	3.6
58.11396	2.0
61.84057	2.0
62.72850	1.9
63.92947	2.1
67.05511	73.1
69.07067	29.5
71.04990	10.0
79.05497	34.4
81.07066	100.0
83.04964	11.7
83.08611	17.4
85.06542	9.2
91.05467	14.5
93.07051	76.6
95.04981	3.0
95.08607	28.5
97.06522	19.0
97.10177	3.4
99.08117	3.6
105.07039	4.2
107.08595	42.7
109.10163	9.7
111.08067	11.4
113.09630	2.3
117.06998	5.7
119.08623	3.4
121.10136	25.0
131.08546	12.9
133.10138	9.9
135.11702	11.3
149.13272	45.6
159.11713	25.6
166.34755	2.4
177.05400	9.1
177.12758	5.8
195.13771	17.3
209.07912	2.6
216.99677	2.4
228.23317	3.0
241.05231	2.4
251.19972	3.1
263.27069	2.6
269.12949	3.8
269.17419	96.7
269.20187	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1751
Annotation	Russujaponol A
Peak:m/z	Relative Intensity
53.00314	1.0
55.01883	11.8
55.05285	1.3
55.05524	22.9
57.03434	4.0
57.07073	5.7
58.87257	0.9
59.05007	2.1
67.05515	19.3
67.40459	0.8
69.03423	2.3
69.07080	18.2
71.04992	4.0
71.08280	1.9
71.08641	36.7
73.95765	0.8
79.05505	42.2
81.03425	1.8
81.07070	24.1
83.04990	22.6
83.08633	32.3
83.43490	0.9
85.02888	4.1
85.06544	5.8
88.02214	6.8
91.05485	13.9
93.07053	66.2
95.04952	6.4
95.08614	24.0
97.06552	6.8
97.10152	1.3
99.04456	4.6
99.08105	27.0
101.06033	11.4
105.07046	14.5
107.04294	1.5
107.04970	22.0
107.08604	26.2
109.06522	10.2
109.10170	6.1
111.04453	42.8
111.08085	30.6
113.02383	1.6
113.06002	1.7
116.05305	9.3
117.07049	9.3
119.04935	1.0
119.08585	13.1
121.02879	5.3
121.06521	12.6
121.10158	16.2
123.00785	5.1
123.04407	1.8
123.08074	17.1
123.11701	1.6
125.05997	18.6
125.09659	3.7
127.03952	1.6
129.05475	1.8
129.07047	1.1
131.08575	23.6
133.06509	3.8
133.10132	9.3
135.04372	1.1
135.08086	17.9
135.11700	4.6
136.07614	4.1
137.06053	1.4
137.09639	1.3
139.03925	57.4
139.07555	62.7
139.11159	13.8
141.05490	14.7
145.10138	6.2
147.11691	4.0
149.05931	1.8
149.09627	21.5
149.13292	3.8
151.07552	36.2
151.11122	1.8
153.05463	27.2
153.09105	3.7
154.06337	1.8
155.03439	1.6
155.07111	1.1
159.08102	1.5
159.11690	5.5
161.13246	3.4
163.07559	5.5
163.11192	2.0
163.14870	1.5
165.09081	1.4
165.12721	7.3
167.07062	23.3
167.10670	24.0
169.04991	6.0
170.05675	4.8
173.13350	1.4
175.11176	1.2
177.05434	1.2
177.09140	8.8
177.16389	1.4
181.08586	2.0
181.12271	1.6
187.14813	18.6
189.16319	1.4
191.10670	6.8
193.12241	6.1
195.10175	38.8
205.08612	1.4
205.15886	29.8
207.17448	3.8
209.11737	22.8
209.13507	1.9
215.14296	2.1
233.15364	23.4
233.18939	1.1
237.11241	7.9
251.16425	100.0
251.20206	5.1
251.59537	1.1
254.10344	1.0
269.13840	29.1
269.17459	10.3
269.22791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Dendocarbin N
Peak:m/z	Relative Intensity
55.05514	20.2
57.03434	15.5
57.07071	23.6
67.05513	74.0
69.07068	25.0
71.04996	4.3
71.08630	28.5
72.23979	3.9
79.05499	28.0
81.07066	100.0
83.04972	4.1
83.08620	23.1
83.35509	3.6
85.06535	6.3
85.10193	5.0
91.05464	6.6
93.07043	53.8
95.08614	54.8
97.06532	16.9
97.10172	14.1
99.08100	18.7
105.07030	4.5
107.08609	32.8
108.24923	3.4
109.10141	21.6
111.08080	4.1
113.09641	6.4
117.07024	6.8
121.10150	26.5
123.11699	6.8
125.09657	6.5
131.08606	7.3
132.84933	3.5
133.10136	19.9
135.11694	20.0
145.10201	7.8
149.13246	33.2
153.09076	5.9
159.11671	21.1
162.57567	3.8
167.07082	4.6
175.14783	7.3
175.98476	3.8
177.05490	15.1
177.12759	5.3
185.13322	7.6
195.13760	6.9
213.16425	4.1
269.17496	55.5
269.22580	18.4
269.24921	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	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.05513	17.1
57.03445	30.1
57.07080	2.2
62.16581	1.6
62.58740	1.8
67.05193	3.1
67.05516	74.2
69.07083	22.1
71.04991	7.5
71.91295	1.9
79.05502	31.0
81.07070	100.0
83.04969	9.6
83.08624	21.5
85.06526	3.8
87.74411	1.9
91.05485	22.0
93.07053	69.8
95.04949	3.5
95.08612	25.1
97.06535	18.6
99.08097	2.7
105.07010	8.8
107.08602	39.5
109.06498	2.5
109.10139	8.3
111.08079	10.7
113.15862	2.0
117.07034	14.8
117.29118	2.2
119.08567	2.6
121.06544	2.1
121.10146	25.9
123.11703	7.1
131.08543	13.7
133.10135	18.2
135.11711	15.4
149.13272	44.4
159.10776	1.8
159.11711	31.0
177.05493	3.1
177.12743	14.7
195.13786	16.3
226.04404	1.8
251.19942	4.8
269.17453	96.6
285.71350	1.9
286.11270	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	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
51.29951	1.2
55.01873	1.3
55.05513	9.9
57.03446	21.5
57.07088	12.5
57.29132	1.1
67.05509	60.7
69.07066	25.8
71.04982	6.0
71.08620	1.5
79.05494	32.7
79.10787	1.3
81.03385	1.7
81.07066	86.6
82.29569	1.6
83.04969	8.7
83.08614	19.0
85.06532	3.3
90.75980	1.3
91.05489	22.8
93.07047	72.7
93.73125	1.3
95.04964	5.3
95.08611	26.4
97.06538	19.0
97.10174	1.8
99.04430	1.5
99.08076	2.8
100.25198	1.7
103.03848	1.3
103.99818	1.4
105.07014	9.0
107.08599	33.4
109.06507	2.1
109.10140	10.0
110.87451	1.3
111.08094	10.1
117.07058	11.5
121.10136	19.0
123.11695	3.1
126.59536	1.4
131.08589	12.9
133.10124	16.2
133.32611	1.6
135.08034	3.0
135.11690	10.5
149.09650	8.3
149.13266	40.8
151.11153	2.9
155.10674	7.7
159.11691	33.1
161.13208	1.5
177.12753	17.3
195.13765	19.0
269.17468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	12.9
56.13108	9.4
56.51498	9.0
57.03424	22.7
57.07078	18.4
57.97251	8.7
59.49861	10.8
60.29831	9.2
64.44067	9.8
67.05501	61.3
69.07065	21.9
79.05489	25.2
81.07074	99.2
83.04970	13.3
83.08632	16.7
85.06538	19.1
85.10180	100.0
91.05463	13.1
93.07057	88.5
95.04919	13.1
95.08608	53.2
105.27871	11.8
107.08582	24.2
113.09642	96.2
121.10160	86.8
131.08612	14.9
149.05917	14.6
149.13251	23.5
153.12698	11.8
159.11674	13.4
167.07033	22.2
177.05492	60.5
212.15631	11.2
213.32222	10.4
251.20142	80.3
269.08115	13.6
269.17496	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.7
55.69020	1.1
56.01430	0.8
57.32509	0.8
58.32190	1.0
60.96224	0.8
61.46347	1.1
61.87887	0.9
64.51067	0.9
67.96577	0.9
69.03378	0.8
70.06580	2.4
70.26897	0.8
72.04518	2.0
72.08163	100.0
84.08141	2.3
89.10799	19.1
96.08128	1.9
98.06069	25.0
98.09692	1.2
107.04956	4.0
107.59762	0.9
110.07150	6.7
110.50223	0.9
114.09163	15.4
115.08698	20.2
116.10691	2.1
122.07154	2.1
123.04396	2.1
125.86956	1.0
135.04422	18.4
137.02313	1.2
137.05968	3.8
138.05440	1.7
145.02864	1.8
149.05931	1.6
153.05487	18.9
156.07698	6.8
163.03906	80.0
164.07011	2.5
177.09077	1.3
192.06514	4.4
192.10251	12.0
206.11806	11.6
222.11288	1.5
222.63374	1.0
234.11206	19.6
251.13885	79.0
252.12315	42.3
269.14948	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69718	1.2
55.05513	4.7
59.35181	1.2
68.30209	1.2
70.06591	3.4
72.08160	62.5
73.06561	11.8
84.03354	1.2
87.04473	1.4
98.06025	6.3
101.27726	1.2
110.07166	1.2
123.04420	2.2
135.04410	5.9
135.61169	1.3
136.84665	1.6
137.05986	6.3
149.06003	5.3
153.05487	10.1
157.47322	1.3
163.03876	6.2
164.07034	2.1
165.05418	1.6
169.26472	1.4
177.09172	2.4
189.39145	1.3
192.06496	2.8
206.11713	9.3
234.11192	7.4
251.13837	1.9
252.12300	89.8
254.67932	1.3
268.66861	1.8
269.14935	100.0
277.21045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1385
Annotation	Pectinolide C
Peak:m/z	Relative Intensity
55.74861	2.8
59.41890	3.1
59.55849	3.1
67.05508	7.4
68.44256	2.9
68.87040	3.0
69.07081	4.5
70.16240	2.7
76.14799	3.4
79.05490	5.8
81.07072	11.7
83.08630	3.7
91.72937	2.8
93.07053	6.2
95.08614	7.1
107.04958	4.9
107.08611	17.7
109.10191	4.9
113.02413	3.2
119.08569	3.6
121.02843	3.4
121.06490	6.9
121.10102	3.5
123.00756	24.9
123.04414	6.5
125.05986	6.4
131.08629	4.6
135.08092	8.0
135.11789	3.5
139.03937	16.6
145.02809	3.2
149.05992	14.5
149.13287	4.2
153.05493	6.2
163.07549	4.5
167.07033	13.9
177.05461	43.5
191.15260	3.5
195.10162	100.0
209.08170	12.1
209.11745	7.7
237.11237	21.2
244.60460	3.3
269.13824	12.0
269.20236	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	269.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.5
56.87409	4.0
56.96576	8.8
57.03435	7.2
57.07079	6.9
64.09515	4.2
67.05511	9.8
69.07072	19.8
79.05497	9.3
81.03403	5.0
81.07054	17.4
83.04990	6.0
83.08625	4.9
85.06559	6.1
89.09251	5.0
89.78290	4.4
91.45269	3.9
92.18451	9.1
93.07043	19.5
95.08601	16.7
97.06505	5.2
98.07074	4.0
105.07033	8.6
107.08615	23.9
109.06504	16.0
109.10161	6.2
111.04414	15.7
117.06963	5.4
119.08566	5.8
121.06516	7.8
123.00735	4.6
125.05997	29.3
127.03854	4.3
131.08611	10.3
135.08061	8.7
137.22139	4.7
139.03906	100.0
139.11165	8.9
140.04872	7.0
141.05472	19.8
149.09602	5.1
153.05496	44.8
154.06325	4.5
155.03448	5.2
155.05431	6.1
155.09419	4.1
159.11604	6.0
159.38168	4.7
165.12779	6.7
167.07042	22.3
167.10664	9.8
169.04951	8.0
173.43561	4.2
177.05473	43.8
177.09091	8.5
178.08232	9.8
183.13409	4.4
187.08900	30.9
191.10689	8.0
193.12253	5.9
195.10167	60.5
196.09366	23.5
205.09938	6.7
209.08073	5.6
209.11681	45.6
213.16502	4.8
214.10443	7.2
216.60712	35.7
225.61201	46.2
227.09055	5.6
228.11316	7.1
237.11240	8.5
258.61182	5.3
269.08066	5.3
269.13861	45.6
269.19769	21.8
269.22711	16.3
271.17889	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	269.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.7
57.07085	1.1
60.66337	1.1
61.13282	0.9
62.66164	0.9
63.61814	0.9
65.70713	0.9
67.05488	1.9
69.07066	1.5
71.93256	0.9
79.05499	6.1
81.07059	1.6
83.04955	1.5
83.08607	1.1
85.06554	1.1
91.05476	1.4
93.07040	4.9
95.04974	1.6
95.08605	2.2
101.02329	1.1
105.07031	1.9
107.04938	1.1
107.08586	6.0
109.24403	1.1
111.04441	2.6
111.77451	1.0
116.21854	1.0
117.07055	1.3
121.02814	8.0
121.06522	1.6
121.10120	1.3
123.00806	9.1
123.04396	2.0
123.08082	1.7
125.05986	6.7
127.03944	2.2
131.08571	4.8
135.08028	11.8
139.03886	4.3
139.11163	6.6
149.06027	2.2
149.09608	1.6
153.05492	4.6
155.03377	7.9
160.99246	1.0
163.07541	10.5
167.06960	2.5
167.10663	2.4
169.12239	1.3
174.12019	1.2
177.05466	8.3
177.09128	4.9
181.12259	1.4
182.21825	1.0
191.10643	1.5
193.12187	1.3
195.10170	100.0
205.08711	2.0
208.36604	1.0
209.08157	1.3
209.11736	4.5
217.25500	1.0
219.10191	1.2
237.11218	11.4
269.08093	1.9
269.13843	23.1
269.19510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0809
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.01876	1.2
72.08140	1.1
75.57873	1.2
87.94807	1.2
103.05460	1.2
107.04961	53.8
121.02834	1.9
123.08662	1.4
131.04929	52.9
133.02856	11.7
147.04378	12.5
151.03889	4.6
163.03827	1.6
165.06996	2.6
167.08549	8.1
175.03877	23.1
177.07033	9.2
179.08542	2.8
182.07281	1.8
195.08044	22.8
197.09657	5.6
205.06447	2.6
207.08136	2.0
210.06789	5.1
223.07506	23.9
224.08286	2.9
225.09103	7.6
233.05887	1.9
239.07027	15.8
241.08646	1.9
251.04309	1.8
251.07013	92.3
269.08078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.081
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.01881	0.3
55.05509	0.2
67.05501	0.2
68.99790	0.2
69.07055	0.3
70.06588	0.2
71.03919	0.2
72.08146	0.4
79.05495	0.2
81.07047	0.9
83.04980	0.2
83.08585	0.2
83.51661	0.2
84.08130	0.3
86.09684	0.3
87.16170	0.2
88.03977	0.2
91.05489	0.3
91.13665	0.2
93.07050	0.3
95.04941	0.3
95.08590	0.3
101.02395	0.2
101.05968	0.2
105.07037	0.2
105.09836	0.2
107.04962	11.7
109.06509	0.2
119.04879	0.3
119.08601	0.3
121.02859	1.1
121.10136	0.3
123.04408	0.5
123.08627	1.1
131.04930	2.7
131.12886	0.2
133.10100	0.2
135.08047	0.3
137.09613	0.3
144.08176	0.2
147.04417	17.1
151.11140	0.3
163.03912	0.4
167.08511	0.3
170.09715	0.2
171.08041	0.4
175.03908	21.5
176.04698	4.9
177.05573	0.3
177.07016	0.4
181.06442	1.1
190.72600	0.2
195.06462	0.3
195.08058	2.9
195.10123	0.9
197.37738	0.2
198.06743	0.3
199.07520	6.0
202.12294	0.2
205.06558	1.7
213.09126	2.5
223.07545	8.1
226.06285	0.7
227.07072	0.8
233.06026	1.8
233.15269	0.2
234.06766	0.2
237.05357	0.2
241.06374	0.4
241.08615	5.8
251.04384	0.3
251.07016	8.8
269.08084	100.0
269.19907	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	268.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	0.9
72.08165	10.5
73.08482	3.3
74.66248	0.6
86.06047	3.8
86.09725	0.6
87.04473	85.3
123.04433	100.0
136.06178	1.6
137.05962	5.0
138.06308	4.4
145.02867	1.1
146.03201	0.8
147.03448	1.1
148.03595	1.2
163.03908	5.3
164.04276	6.6
165.04387	11.1
165.05649	1.0
179.06017	3.5
180.06250	4.3
207.06584	2.9
208.06873	24.3
209.07016	54.4
209.08105	28.8
251.14767	8.2
268.15332	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84865	3.0
60.36435	2.8
80.08232	2.5
94.93013	3.9
98.97575	3.7
123.05565	33.4
134.96074	20.5
155.05530	3.6
162.08047	3.6
164.93542	25.1
176.24416	2.8
178.95122	7.3
188.93489	4.0
250.93625	5.5
268.94608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1334
Annotation	Apomorphine
Peak:m/z	Relative Intensity
57.89849	0.2
59.68887	0.2
64.93558	0.2
68.18943	0.2
71.26520	0.2
72.08157	0.2
79.04771	0.2
104.83510	0.2
109.48711	0.2
115.42554	0.2
121.02886	0.7
136.06207	1.4
142.33662	0.2
156.11041	0.2
180.08223	0.3
209.11992	3.6
219.71104	0.2
224.11171	0.2
242.37767	0.2
250.11700	0.8
262.06110	0.2
268.13324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.6
54.26991	0.6
60.08165	1.0
62.72389	0.5
72.08156	11.3
73.08488	5.5
77.94320	0.6
84.05604	1.1
86.06068	4.4
86.30554	0.6
87.04469	66.9
88.26785	0.6
104.13648	0.6
117.03357	0.8
121.02892	1.4
123.04429	78.4
137.05971	7.1
138.06302	7.1
144.44569	0.6
146.03214	1.2
147.03383	1.5
148.03777	0.9
156.84358	0.6
163.03938	5.5
164.04272	8.5
165.04393	13.9
178.05827	0.8
179.05962	3.8
180.06268	3.2
207.06516	2.6
208.05191	0.9
208.06863	34.3
209.07095	100.0
251.14735	11.0
268.15247	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	268.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75935	0.4
54.82078	0.4
57.04572	0.5
58.83546	0.4
59.15746	0.4
60.05657	0.4
60.98281	0.4
70.06587	0.7
72.08154	4.9
73.08490	2.3
75.58870	0.4
84.05635	75.1
84.08154	0.6
85.06406	1.0
89.10780	2.4
90.11127	0.7
105.07043	11.9
107.04962	3.3
111.04449	1.8
120.08081	0.8
121.02858	3.3
133.06512	2.2
134.09622	3.7
136.06163	2.0
145.02834	1.6
146.03169	5.1
147.03384	6.0
148.03633	6.4
148.07567	10.4
148.95589	0.4
161.05954	0.8
164.10754	0.5
166.08577	0.6
176.07114	0.6
176.35469	0.4
177.05522	3.3
178.05791	4.7
179.06017	19.3
180.06261	29.1
180.10168	3.5
182.76535	0.4
208.09656	4.9
209.08122	0.9
222.12398	7.7
223.00536	3.5
240.13327	3.8
250.11859	2.4
251.13750	0.9
268.12949	100.0
268.16196	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	268.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64407	0.3
55.05524	0.5
68.29377	0.4
69.03431	1.8
70.06603	0.5
72.04513	0.5
72.08160	20.5
73.08493	6.4
84.53271	0.4
86.06071	100.0
86.09698	0.7
87.03931	0.6
87.04468	18.6
102.05544	3.3
104.06413	0.8
104.07109	19.0
104.07780	0.9
105.07033	0.9
112.08667	0.5
114.09179	0.6
120.08088	0.6
121.02892	2.8
123.04430	68.0
131.04967	0.6
132.08066	3.8
134.09721	0.9
134.36266	0.5
136.06187	10.3
137.05984	14.7
138.06306	15.4
141.70314	0.4
158.20343	0.5
162.09151	3.0
163.03809	0.4
165.04121	1.1
165.05479	29.7
166.04675	0.7
179.07031	1.9
180.07373	5.0
195.68193	0.5
209.08168	4.3
222.11243	11.9
251.14725	18.3
268.11838	12.3
268.17563	20.1
271.10550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1183
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
52.96604	0.3
69.03434	2.0
72.08179	0.6
79.91401	0.3
85.45414	0.4
86.06075	100.0
86.50681	0.4
87.03989	0.7
87.04475	11.8
92.18570	0.4
99.75855	0.4
104.07122	19.2
107.04952	0.8
121.06536	2.5
123.04436	65.6
130.13075	0.4
132.04747	0.5
133.06551	0.7
136.06197	2.5
137.05946	3.2
165.05475	31.9
209.07103	2.0
223.00664	0.5
268.11795	9.1
268.14520	0.5
287.05093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01876	0.2
57.03444	0.2
69.45935	0.1
73.02932	0.2
74.87807	0.1
75.78786	0.1
85.02882	0.2
85.36642	0.1
94.97672	0.1
106.05529	0.1
107.67049	0.1
115.03942	0.1
119.03574	0.3
122.06403	0.2
132.71611	0.1
133.04929	0.2
135.01033	0.1
136.06187	100.0
218.33830	0.1
268.10379	7.3
281.78009	0.1
284.84927	0.2
288.94049	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	267.2683
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
55.05301	1.7
55.05525	41.2
57.07087	24.0
61.64681	1.6
62.41198	2.2
67.05512	48.6
69.07074	61.3
71.04999	29.8
71.08624	15.5
79.05483	4.3
81.07063	87.1
83.08622	57.3
85.06540	18.0
85.10186	4.4
91.05451	2.2
92.94894	1.9
93.07040	3.1
95.08610	100.0
97.10172	55.4
99.08071	3.5
104.65113	1.9
104.85146	1.9
107.08601	2.1
109.10167	59.8
110.19867	1.9
111.11702	18.3
119.08567	2.3
123.11705	22.8
125.13307	2.3
129.02698	2.1
137.13246	4.5
143.08575	4.5
145.10143	4.7
151.14813	3.5
152.30498	2.2
169.09961	2.0
170.14011	2.0
174.59131	1.7
181.05089	2.4
183.11803	1.9
197.13445	3.5
211.14864	2.6
225.19167	1.9
239.17973	4.2
249.25879	8.0
267.17471	15.5
267.20996	3.9
267.26810	36.0
272.91367	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	267.2683
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
54.60891	4.3
55.05507	36.2
57.07066	35.2
65.11508	4.5
67.05508	58.1
67.53512	5.3
69.07072	49.5
71.04982	7.6
71.08620	7.2
76.37802	5.8
79.05486	7.3
81.07061	65.8
83.08620	47.8
85.06525	11.8
91.58620	4.9
93.07069	6.2
95.08620	100.0
97.10178	44.4
99.08118	7.6
105.07053	6.1
109.10143	60.8
111.11736	6.6
123.11716	21.5
137.09601	8.6
137.13364	6.0
153.05481	12.5
155.08429	5.7
181.04990	10.9
207.06558	7.1
211.14944	6.1
212.95316	5.3
225.07707	10.3
249.18491	13.6
267.17407	12.4
267.21124	13.3
267.26852	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98181	0.8
60.05658	33.0
67.05495	1.2
67.18520	0.9
69.07073	25.0
69.27155	0.8
72.08160	49.5
79.05513	1.1
79.87065	1.1
81.06618	1.4
81.07066	39.0
84.96798	1.0
91.05479	0.9
93.07056	1.0
95.08616	10.1
97.07643	5.8
104.18092	0.8
105.70260	0.9
109.10132	0.8
114.09525	1.5
114.10298	34.3
118.40060	0.8
119.08497	1.1
131.12932	22.6
133.10057	1.0
137.13197	1.0
144.06735	0.9
169.10143	1.0
178.77327	0.9
193.57555	1.1
196.18138	6.6
197.13312	1.0
211.14793	1.8
222.71814	1.0
227.26320	1.0
267.21317	6.7
267.25430	100.0
270.43344	1.0
275.09531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43413	0.4
60.05659	26.5
69.06699	0.7
69.07072	19.9
72.08162	40.8
79.05501	0.6
81.03426	0.5
81.07066	32.6
83.08627	0.5
85.02893	1.0
87.00822	0.9
93.07040	0.8
95.08616	8.4
97.07631	3.2
114.10291	31.3
126.60636	0.4
127.03882	0.7
131.11983	0.9
131.12938	17.5
137.13240	2.3
164.52138	0.4
178.75549	0.4
181.80817	0.4
196.18062	5.9
236.81065	0.4
237.60394	0.5
250.22752	0.6
267.25427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54652	0.3
57.07072	0.4
58.06938	0.3
60.05659	34.0
67.05499	1.6
69.06702	0.9
69.07072	24.3
70.06573	0.5
72.08163	45.4
79.05511	1.4
81.07067	38.5
84.40281	0.4
88.56985	0.4
89.10782	0.4
95.08614	9.4
97.07667	3.9
105.06968	0.6
107.08521	0.4
111.10088	0.4
114.10295	32.3
119.08601	0.5
131.12929	22.3
137.13290	2.0
144.31244	0.4
196.18106	6.8
250.22874	0.7
267.25439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89601	3.8
54.50182	3.8
55.05535	6.4
57.03442	4.3
57.07077	31.0
63.80967	4.8
67.05514	30.6
69.07072	8.6
79.05500	35.8
81.07083	33.4
82.28191	4.6
83.73991	4.4
85.10188	100.0
91.05489	8.0
93.07047	58.6
95.04982	7.3
95.08614	68.0
97.06514	23.4
99.08098	5.5
100.11284	4.2
105.06992	7.8
107.08656	5.5
109.10173	21.0
113.09657	80.4
119.08588	9.7
121.10160	87.5
129.05144	4.2
133.10129	21.7
135.11780	5.2
136.43468	4.4
147.11694	19.0
155.08553	4.7
161.13251	5.1
183.11771	4.6
197.13240	5.3
207.11723	6.8
208.07014	6.4
220.94359	5.9
231.21057	7.1
249.18542	9.4
267.17511	10.9
267.23294	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	48.6
59.30272	7.9
67.05497	41.3
69.07066	24.1
71.04986	16.9
77.31804	9.6
79.05492	11.3
80.95936	8.7
81.03407	10.2
81.07069	100.0
83.08627	81.1
85.22337	9.7
87.61631	11.0
91.05486	16.2
93.07026	20.2
95.05019	10.0
95.08598	66.8
105.07023	22.7
107.08617	13.9
109.10118	16.9
115.50526	9.2
119.08575	18.5
121.10129	15.2
127.52314	9.0
130.01361	10.2
133.34706	12.0
135.11697	11.6
147.11728	11.3
153.05449	36.7
159.74849	9.6
161.13173	11.6
165.05499	10.1
181.04970	59.1
197.08041	19.7
207.06558	10.0
225.07600	67.5
251.23573	9.4
267.23337	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	267.2319
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
52.05568	1.5
53.93414	1.5
55.05515	8.2
57.03445	2.2
57.07088	39.3
67.05510	36.9
69.07059	10.5
71.05011	3.1
71.08613	6.6
78.89954	1.6
79.05497	38.6
81.07062	33.6
83.04975	7.3
83.08614	7.3
85.10185	95.5
85.18414	1.6
91.05470	12.1
93.07050	53.9
95.08615	42.3
97.06541	16.9
97.10168	2.7
99.08142	5.9
100.71870	1.6
105.07028	11.4
107.08604	7.8
109.10151	26.6
111.51241	1.8
113.09641	82.7
119.08592	11.1
121.10139	100.0
123.11700	2.9
133.10143	21.9
135.11710	7.8
137.09612	1.6
141.83455	1.8
147.11671	9.0
149.13272	4.2
151.11154	1.8
161.13268	7.3
165.12779	9.0
175.14755	2.2
231.21082	19.8
249.18378	2.4
249.22110	3.8
266.01950	2.0
267.23199	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.3
57.03445	6.6
60.59329	6.7
67.05508	70.0
69.03421	6.2
69.07068	38.8
71.08630	100.0
73.06002	6.1
77.29640	7.0
81.07052	48.5
83.04961	9.8
84.67426	8.2
93.07034	17.4
95.08612	16.7
99.08103	94.1
101.10646	7.3
106.64692	6.6
107.08575	15.4
109.10150	55.5
121.10188	8.0
121.46327	6.5
127.11262	10.3
135.11681	15.1
146.95621	7.5
151.11203	43.6
153.12701	11.6
165.12767	7.2
202.24695	7.4
208.06902	12.7
216.21129	7.2
219.23676	7.9
231.21201	9.7
249.22116	14.3
267.23166	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	267.2319
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
55.01873	43.1
55.05507	16.9
65.20072	9.5
67.05496	63.0
68.34576	8.9
69.07066	41.4
71.05011	12.2
71.08622	19.1
79.05482	35.4
81.07066	100.0
83.08601	41.6
91.05477	11.6
92.17872	13.4
93.07042	15.0
95.08594	59.0
97.06536	18.0
99.08090	19.4
107.08575	10.9
109.06527	10.8
109.10145	21.0
111.08089	62.2
119.08573	12.7
121.10132	42.7
123.11730	16.7
133.10094	15.4
142.77423	9.7
146.63094	10.6
153.05455	21.3
175.14801	14.0
181.04990	24.5
197.08142	12.6
202.40248	9.9
207.06525	21.2
208.06888	12.4
210.99899	9.9
225.07559	53.8
231.21054	11.4
249.18481	10.5
249.22261	10.8
267.23233	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	267.232
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
55.01877	4.0
55.05521	48.2
57.03436	13.1
57.07065	15.6
67.05509	76.9
69.03434	6.4
69.07071	63.5
69.11591	3.0
71.04993	25.2
71.08630	18.9
76.75721	2.7
77.83695	2.4
79.05495	36.6
81.03410	10.1
81.07062	100.0
83.04985	21.0
83.08634	27.8
85.06540	13.9
85.10171	3.2
91.05508	22.6
93.07052	55.2
95.04971	94.7
95.08608	79.6
97.06544	25.4
97.10157	18.0
99.08080	12.7
101.70644	2.8
105.07045	29.1
105.79423	2.9
107.04962	11.4
107.08604	37.2
107.72773	2.7
108.33136	3.1
109.06516	13.7
109.10159	34.8
111.08044	2.7
113.09616	3.3
119.08565	25.7
121.10135	31.7
123.08048	3.6
123.11697	15.0
125.09582	4.1
133.10135	23.6
135.11671	19.8
137.13231	2.9
139.11191	17.6
147.11673	30.0
149.13225	6.1
151.07507	3.9
151.11200	13.3
151.18216	2.6
153.05461	6.2
153.12712	4.0
161.13258	12.8
165.12766	6.3
167.14282	3.6
175.14809	5.5
181.04964	14.7
217.19519	6.3
225.07626	19.0
231.21085	14.9
235.20599	5.9
249.22137	23.3
267.12241	4.4
267.23175	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1956
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
54.65486	7.9
55.01877	44.1
55.05516	48.5
57.07076	39.7
61.39330	7.4
66.03048	7.7
67.05499	52.6
69.07066	12.2
70.59761	8.8
70.92497	8.4
71.08655	32.9
79.05507	46.5
81.03433	12.5
81.07070	100.0
82.44415	9.1
83.08610	65.8
85.06535	11.6
91.05463	16.6
93.07034	33.4
95.08610	87.9
97.06513	37.8
97.10182	9.7
99.08122	15.0
105.07014	17.0
107.08595	36.0
107.85508	10.7
109.10147	40.7
111.08041	68.1
115.68930	9.7
119.08601	36.3
121.10114	18.6
123.08079	20.4
123.11683	11.9
133.10141	17.7
136.60303	10.0
137.09630	50.0
139.11118	11.3
153.05479	63.8
165.05495	10.3
179.07118	9.7
181.05009	36.4
183.36496	10.2
197.08038	9.7
202.45062	8.8
225.07542	46.7
249.18388	64.3
267.19489	72.4
267.23148	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1707
Annotation	atenolol
Peak:m/z	Relative Intensity
50.12365	0.3
50.65991	0.3
54.12371	0.3
55.05519	1.6
68.75584	0.3
72.08163	90.8
73.06561	0.9
85.12357	0.4
87.31860	0.3
89.10799	4.1
114.09174	2.3
137.05988	100.0
144.29404	0.4
151.03946	2.9
151.07588	0.5
163.07596	0.3
179.07040	28.7
197.88115	0.4
227.20154	0.4
250.14381	82.0
257.64252	0.4
267.17038	86.2
284.78583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46790	1.2
65.49478	1.3
66.12622	1.1
68.17188	1.3
72.08161	100.0
89.10773	6.8
107.84335	1.4
114.09167	1.8
130.81808	1.3
137.05988	98.0
158.46967	1.3
164.04271	1.8
179.07028	25.8
179.68546	1.4
207.06485	3.4
208.06847	15.0
250.14386	76.4
267.17041	87.6
273.05063	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	267.1707
Annotation	atenolol
Peak:m/z	Relative Intensity
51.17294	0.3
52.85130	0.3
54.55540	0.3
55.05524	1.9
66.33743	0.3
72.08164	94.2
73.06564	1.4
84.05618	0.4
89.10791	3.6
114.09173	3.2
137.05989	100.0
151.03918	0.6
151.07562	1.5
179.07040	28.3
221.08153	0.6
250.14388	85.4
254.11322	0.4
267.17044	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Curvularol
Peak:m/z	Relative Intensity
50.64461	2.0
55.01868	2.3
55.05503	8.4
57.03444	21.0
67.05194	2.1
67.05511	41.0
69.07069	18.3
71.04985	4.0
79.05495	42.9
81.03391	9.3
81.07066	66.6
83.05013	16.0
83.08594	7.7
85.06517	2.8
90.64683	1.8
91.05481	49.7
93.07054	26.9
95.04955	14.6
95.08617	27.0
97.06503	10.5
103.03917	7.6
105.07030	36.3
107.04924	8.9
107.08599	13.8
109.06492	10.7
109.10103	3.1
110.01723	1.9
111.04402	2.7
111.52758	2.1
113.05969	3.1
119.08570	30.0
121.10158	17.5
123.08066	3.0
123.11711	13.7
125.09570	2.0
129.05515	3.1
129.07004	15.2
131.08572	19.5
133.10138	45.5
137.09595	2.2
140.88617	1.9
147.07979	3.0
147.11691	60.0
149.09612	2.2
151.11179	2.3
153.05455	2.9
157.10114	22.3
165.12750	14.2
175.11179	27.4
181.04996	2.5
193.12311	13.9
198.10799	3.2
225.07596	2.5
226.12123	3.6
249.18488	2.8
267.15845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Rugosal A
Peak:m/z	Relative Intensity
50.61210	0.9
55.01877	1.4
55.05528	8.9
56.96548	1.2
57.03452	10.0
67.05193	1.6
67.05515	29.3
69.07072	10.4
71.04979	1.4
77.63224	1.1
78.63362	1.0
79.05508	19.8
81.03417	1.7
81.07070	71.6
83.04980	8.1
83.08603	7.1
83.32687	1.0
85.06539	5.4
91.05028	1.2
91.05490	22.3
93.07047	16.1
95.04951	5.6
95.08616	22.7
97.06548	8.4
99.08054	2.1
105.07039	29.7
107.04932	2.5
107.08599	12.9
109.06493	6.5
109.10159	2.1
111.04436	4.1
111.08031	2.2
112.81184	1.2
118.37762	1.1
119.07809	1.9
119.08593	22.5
121.10146	13.7
123.08045	2.6
123.11031	1.2
123.11728	21.8
127.62271	1.1
129.06981	2.7
131.08543	4.5
133.10123	10.0
134.59885	1.0
140.60832	1.0
144.87209	1.1
147.08090	1.3
147.11699	52.0
149.09651	1.6
150.03040	1.1
151.11119	2.2
153.05432	2.7
156.06226	1.1
157.10109	5.5
165.12715	17.3
175.11208	7.6
181.04947	4.1
187.28062	1.0
193.12263	2.7
198.10907	1.5
211.13219	1.5
220.81750	1.2
225.07602	2.1
232.62485	1.3
249.18607	1.9
267.15878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1343
Annotation	gamma-glutamyltyramine zwitterion
Peak:m/z	Relative Intensity
52.01093	0.2
52.83355	0.2
56.05046	0.3
67.05517	0.3
70.06583	0.3
72.08144	0.6
80.69410	0.3
84.04510	18.6
84.08147	0.4
85.02896	0.5
85.06555	0.3
91.05493	1.1
93.07055	1.8
95.08596	0.3
102.05482	0.4
103.05473	0.6
105.07040	0.6
114.09196	0.6
121.06506	100.0
123.04399	0.3
130.05005	19.0
131.11784	0.4
133.06477	0.6
138.09149	18.2
159.08281	0.4
160.08707	1.9
161.05969	1.5
167.06999	0.4
177.05476	0.3
178.06285	2.4
181.04828	0.3
187.07535	0.6
193.08655	0.6
198.00136	0.6
204.10222	0.4
221.12848	5.1
223.51685	0.3
225.15988	0.6
235.08160	0.4
250.08054	0.5
250.10722	14.9
267.04843	0.4
267.08881	0.6
267.13379	18.5
267.18115	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	267.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81861	0.3
70.06234	0.5
70.06601	11.8
70.48170	0.3
72.08156	3.7
87.09231	0.5
88.07639	25.0
89.03917	1.2
105.10280	18.4
107.04958	0.4
117.03393	1.3
135.04427	4.3
136.11148	0.3
141.02539	0.3
145.02864	6.3
158.85587	0.3
163.03906	100.0
167.17046	0.3
170.95386	0.3
178.13431	2.1
179.03387	0.6
180.06604	0.3
196.14479	0.7
205.48923	0.3
220.09694	14.6
235.93578	0.3
249.09720	0.7
249.12334	22.8
249.20927	0.7
250.10800	3.1
267.04803	0.4
267.13434	12.4
267.18018	0.4
267.21738	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	267.1231
Annotation	Nevirapine
Peak:m/z	Relative Intensity
51.46793	0.6
55.01868	0.6
55.05500	1.3
57.07078	0.8
58.06012	0.6
67.05495	1.3
67.26891	0.7
69.07062	3.1
72.08185	0.9
79.05493	2.7
79.45319	0.6
81.07050	4.6
83.04984	0.8
88.90186	0.8
91.05467	0.9
93.07018	3.5
95.04936	0.8
95.08588	3.2
105.07026	1.1
107.04944	0.9
107.08595	1.1
109.10135	1.1
114.10283	1.0
119.08566	1.7
121.06502	11.8
123.08064	1.0
127.03895	0.8
128.32120	0.8
133.10040	0.9
137.05942	4.9
137.09644	1.0
145.10123	1.1
147.11687	1.2
149.05942	5.7
149.09550	0.9
153.05458	1.4
160.07410	0.9
161.06093	1.1
163.07408	0.9
169.10110	0.8
174.06691	1.1
176.54617	0.8
177.05449	28.9
177.09013	1.1
179.07018	5.1
179.10655	2.9
180.41197	0.7
189.09084	4.9
191.07040	0.9
193.04950	1.6
195.06531	85.7
203.10617	6.1
207.10146	5.4
211.06009	1.5
221.11693	5.6
224.16470	1.1
231.10143	2.9
249.11192	15.6
249.18550	1.2
267.12256	100.0
267.21225	2.8
267.25436	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	267.1228
Annotation	Nevirapine
Peak:m/z	Relative Intensity
54.25275	0.6
55.05519	1.1
60.25328	0.8
67.05500	1.3
69.07074	1.0
71.04997	10.5
71.08617	1.0
78.09739	0.7
81.07036	1.3
83.04994	12.3
93.07038	0.8
95.04962	1.0
95.08607	1.8
101.06020	5.1
104.93105	0.8
107.04961	100.0
109.15844	0.8
111.04468	1.0
121.06482	3.3
125.06018	1.0
138.06789	1.2
153.05475	4.9
159.08020	4.4
161.08028	3.5
165.05444	0.9
181.04936	5.3
188.03429	0.8
197.08151	1.4
207.06509	1.1
225.07552	6.4
249.18442	1.2
267.09366	1.3
267.12250	40.5
267.19653	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	267.1206
Annotation	2'-Amino-2'-deoxyadenosine
Peak:m/z	Relative Intensity
52.67606	0.6
60.05640	0.8
63.51275	0.5
64.24631	0.5
67.05503	0.7
69.03435	0.8
69.07077	0.9
72.08138	0.8
79.05455	0.6
81.03411	0.9
81.07061	2.6
85.02911	2.8
87.00818	0.6
91.05476	0.8
93.07069	1.1
99.05630	0.6
105.01884	0.9
107.08597	1.0
109.10150	1.0
117.07016	0.8
119.08578	1.3
121.10167	1.1
125.68298	0.6
143.08517	0.7
144.05690	1.3
145.06520	0.9
145.10172	0.8
155.08524	0.6
157.10133	0.6
183.11823	1.2
189.05199	0.9
190.00916	0.9
194.05891	3.1
197.13202	1.0
203.06354	0.9
205.03305	0.8
211.14886	1.2
223.04247	5.7
266.69562	2.9
267.12054	100.0
267.21307	4.5
267.25366	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	266.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	0.7
60.05646	4.8
67.05504	0.8
69.07075	29.6
70.06241	0.8
70.06601	22.3
71.05002	9.1
79.05492	2.2
81.07066	43.3
83.08559	0.5
86.06032	0.4
88.07625	6.8
95.08604	11.7
95.27431	0.4
99.30563	0.4
100.07629	1.0
109.10149	0.5
112.08733	13.8
130.09770	69.1
137.13266	2.4
150.95494	0.4
191.00793	0.4
202.10201	0.5
203.00983	0.5
248.21136	2.1
266.22269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0653
Annotation	Aristolide B
Peak:m/z	Relative Intensity
56.85884	0.2
56.89114	0.2
63.00742	0.2
79.50162	0.2
103.81289	0.3
134.91922	0.2
147.62390	0.2
165.06940	0.2
223.05934	0.4
239.06937	2.1
267.06522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73760	0.3
60.69411	0.2
65.78378	0.3
71.71947	0.3
71.72337	0.3
72.08048	4.2
72.08485	0.8
73.08388	1.9
79.96635	0.3
82.64483	0.3
82.80804	0.3
89.03842	0.8
89.10690	3.2
90.04150	0.4
90.11047	0.7
98.06003	0.4
115.08626	0.6
116.08932	0.4
117.03294	2.1
117.04002	0.3
118.03616	2.1
135.04344	0.4
136.85257	0.3
145.02853	17.9
146.03188	26.5
148.72224	0.3
149.05914	0.4
150.06288	1.4
163.03897	12.7
164.04306	0.4
177.05472	45.2
178.05807	100.0
207.06529	44.7
249.13136	8.4
266.13928	3.0
266.16040	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	266.158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73760	0.3
60.69411	0.2
65.78378	0.3
71.71947	0.3
71.72337	0.3
72.08048	4.2
72.08485	0.8
73.08388	1.9
79.96635	0.3
82.64483	0.3
82.80804	0.3
89.03842	0.8
89.10690	3.2
90.04150	0.4
90.11047	0.7
98.06003	0.4
115.08626	0.6
116.08932	0.4
117.03294	2.1
117.04002	0.3
118.03616	2.1
135.04344	0.4
136.85257	0.3
145.02853	17.9
146.03188	26.5
148.72224	0.3
149.05914	0.4
150.06288	1.4
163.03897	12.7
164.04306	0.4
177.05472	45.2
178.05807	100.0
207.06529	44.7
249.13136	8.4
266.13928	3.0
266.16040	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	266.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02357	0.2
72.08178	0.3
89.03912	1.5
117.03319	0.4
135.04408	1.4
145.02817	1.7
146.03157	1.5
163.03902	20.6
177.05490	2.5
178.05791	4.2
207.06535	100.0
248.83496	0.2
266.13800	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	266.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82819	0.3
52.26026	0.2
54.62409	0.2
71.81454	0.3
72.08495	0.3
89.03922	0.5
117.03371	0.4
135.04413	1.2
143.65157	0.3
145.02834	1.9
163.03903	23.6
207.06526	100.0
266.13870	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	266.1238
Annotation	(-)-Aristeromycin
Peak:m/z	Relative Intensity
57.03430	0.6
65.06575	0.4
69.03437	4.4
70.06593	2.6
73.02929	0.6
81.03429	2.1
82.06585	0.5
84.04512	0.7
85.02916	2.6
86.06076	15.9
87.04481	19.7
96.04487	2.3
97.02903	10.4
98.06059	30.1
102.05544	0.8
104.07133	6.6
104.10760	1.3
109.02886	3.5
110.06078	0.9
116.07095	15.4
120.06573	2.1
126.05533	0.7
126.16059	0.5
127.03933	3.2
128.07065	8.0
136.06200	6.8
140.07072	0.6
144.06528	3.7
145.04970	0.8
146.08118	0.9
152.07097	0.5
162.07693	0.8
164.03154	0.8
164.07039	3.2
170.08107	0.6
177.05542	0.6
182.08139	13.3
191.00526	0.6
194.08156	4.9
212.09183	5.0
230.10246	25.2
248.11288	100.0
266.08588	0.7
266.09204	0.9
266.12378	21.2
266.15967	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	266.0885
Annotation	5'-Dehydroadenosine
Peak:m/z	Relative Intensity
52.06953	0.2
57.75407	0.2
69.03437	1.4
70.06618	0.2
71.01356	2.5
72.08160	0.9
84.08177	0.2
85.02895	0.3
86.06036	0.3
87.04475	0.4
97.02926	0.3
98.06042	0.8
102.05553	0.3
102.09176	0.2
104.07095	0.2
113.02354	0.9
116.07077	0.3
122.07179	0.3
123.07492	0.2
126.57553	0.2
127.67104	0.2
128.07042	0.2
132.95827	0.2
133.03104	0.2
134.49223	0.2
135.22643	0.2
136.06186	100.0
137.04573	0.2
161.04489	0.3
178.07310	0.3
187.33650	0.2
227.95586	0.8
230.10515	0.3
243.01646	1.0
245.96712	0.2
250.97166	0.3
261.02982	0.3
266.08789	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49038	46.3
55.05531	67.9
55.47128	40.7
59.39374	44.3
67.05508	62.5
69.07059	82.5
81.07059	79.0
95.08598	63.7
97.10207	70.4
115.54322	50.6
153.10951	51.8
212.95831	53.3
265.21573	63.9
265.25192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2162
Annotation	KDC 165
Peak:m/z	Relative Intensity
55.05505	10.5
63.18663	3.1
64.62252	3.9
67.05505	64.2
69.07070	6.8
71.04958	4.3
71.08633	100.0
74.90828	3.6
75.74728	4.2
79.05485	22.9
81.07067	36.5
83.04970	9.5
83.08597	8.1
91.05468	20.4
93.07017	26.6
95.08601	34.2
97.06562	4.5
99.08094	80.5
105.07021	8.5
107.08591	18.6
109.10149	26.9
111.08123	5.8
119.08547	4.9
121.10116	7.1
127.11195	7.3
133.10097	18.0
135.11758	6.4
145.02838	5.0
146.66556	4.8
147.11620	4.2
151.11230	6.8
153.12712	8.4
177.05470	21.2
218.94437	26.3
220.20393	4.5
241.96036	9.9
265.15588	5.3
265.21573	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2164
Annotation	KDC 165
Peak:m/z	Relative Intensity
55.05511	14.0
57.03432	5.3
57.07076	4.7
64.36269	2.2
67.05515	53.2
69.07062	14.9
71.04992	2.8
71.08635	91.7
79.05486	21.4
81.03411	2.8
81.07066	38.7
83.04996	20.6
83.08620	6.5
91.05453	19.1
93.07047	30.5
95.04932	3.4
95.08601	34.0
97.06527	4.7
99.08094	66.9
105.07027	12.1
107.08609	15.2
109.10166	26.3
111.08060	2.7
115.20570	2.9
121.10142	4.6
125.83427	2.8
127.11200	5.2
133.10129	14.4
135.11674	3.2
145.02788	4.3
151.11246	4.6
153.12782	5.5
165.12729	3.2
177.05446	18.2
206.01724	4.0
207.56198	2.8
218.94490	16.9
236.95229	2.9
241.96027	13.6
265.15543	3.3
265.21616	100.0
265.24753	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	265.2164
Annotation	KDC 165
Peak:m/z	Relative Intensity
55.01872	14.2
55.05520	31.0
57.16814	2.6
67.05504	26.3
69.07059	13.6
71.04995	5.4
71.08625	6.0
71.44769	2.9
72.04488	3.0
79.05495	21.2
81.03423	5.2
81.07065	29.8
83.04984	7.6
83.08632	19.5
91.05478	6.8
93.07021	32.6
95.04973	49.0
95.08617	22.0
97.06521	8.1
97.10161	7.3
99.04440	4.1
99.08105	6.6
100.07616	6.9
105.07059	8.0
107.04942	37.4
107.08604	23.1
109.06484	4.5
109.10163	6.3
111.04423	29.9
117.07012	3.3
119.08550	6.4
121.06522	4.9
121.10155	22.7
131.08611	7.3
133.10130	4.0
135.08109	6.9
135.11676	7.8
145.10139	5.7
149.09650	13.3
163.11151	21.8
177.05452	7.4
177.12827	4.4
195.13844	34.9
195.15381	5.4
218.94429	14.3
247.20647	14.2
265.08636	4.4
265.21643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2163
Annotation	Heptadecatrienoic acid
Peak:m/z	Relative Intensity
52.50417	7.7
55.05529	9.0
56.58389	8.7
57.20674	7.3
63.01796	7.1
67.05513	84.6
69.07077	12.6
69.57444	8.0
70.73738	8.6
71.08626	19.8
79.05495	14.8
81.07066	98.7
83.08624	12.7
93.07040	49.4
95.08599	85.6
99.08085	17.2
105.07051	14.3
107.08603	49.7
109.10155	21.1
119.08533	10.1
121.10177	20.8
123.11676	11.0
131.08598	10.2
133.10139	13.7
135.11710	13.2
137.09563	8.4
140.76129	10.7
149.09630	11.7
149.13226	12.4
151.11157	17.5
177.05498	18.6
218.94331	17.1
229.19650	9.1
247.20511	35.4
265.18350	14.0
265.21631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28770	9.3
55.05500	12.5
67.05483	17.8
69.07076	11.6
71.08622	18.4
81.07056	60.0
87.62833	10.2
93.07043	12.2
107.08618	24.1
111.08073	10.3
129.50714	9.8
145.02818	13.3
149.09657	12.8
159.08081	13.7
166.25960	10.8
177.05478	100.0
203.10663	20.4
218.94554	25.8
219.17389	12.5
223.65863	12.7
241.95941	16.0
265.15430	18.7
265.17990	41.1
265.21848	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	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.01879	20.9
55.05518	49.9
57.07080	34.1
67.05228	4.0
67.05516	58.2
69.07078	52.5
71.04975	4.9
77.01833	3.5
79.05510	46.7
81.07078	65.7
83.04982	7.2
83.08623	74.8
85.06538	27.1
91.05489	18.0
92.18342	6.1
93.07041	65.6
95.04958	5.8
95.08619	52.7
95.75021	3.9
95.91048	3.7
97.06543	36.1
105.07030	15.3
107.04979	7.3
107.08620	41.1
109.06530	7.7
109.10149	33.4
111.08082	19.2
117.07011	15.9
119.08569	17.2
121.10148	61.0
123.11689	7.4
131.08578	9.6
133.10126	20.9
135.08052	4.5
135.11697	35.7
137.09579	4.9
145.02933	5.5
145.10155	21.6
147.11670	15.9
149.09586	4.2
149.13312	6.3
151.11182	9.7
159.11737	9.4
161.13367	5.3
163.11182	16.8
167.17061	4.5
173.13310	6.0
177.05476	24.8
199.78670	4.1
205.22388	4.3
209.15308	5.0
229.19522	5.4
247.20494	16.0
265.15680	6.8
265.18289	47.1
265.21655	100.0
265.24658	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	265.1801
Annotation	Actinolide A
Peak:m/z	Relative Intensity
55.01876	1.3
55.05535	2.5
57.03433	1.2
57.07104	1.8
63.93195	1.0
67.05521	18.3
69.07065	5.1
71.04990	6.1
79.05498	18.4
81.07067	100.0
82.61396	1.1
83.04984	1.4
83.08624	2.5
85.06557	1.6
91.05484	5.7
93.07058	13.3
95.04971	4.8
95.08618	15.3
97.06540	2.7
99.08099	2.0
105.07040	7.4
107.04961	2.8
107.08603	12.5
109.06525	52.1
109.10190	6.4
111.08048	2.7
117.07037	4.5
119.08575	8.4
121.06538	1.3
121.10165	13.5
123.08077	5.8
123.11725	6.6
124.93580	1.1
131.08577	8.5
133.10133	2.9
135.08086	2.0
135.11707	6.9
137.09631	2.1
145.10139	12.6
147.08113	1.3
147.11710	5.4
149.09622	8.7
149.13271	4.8
151.11180	1.9
159.11697	2.1
163.11185	9.8
166.72177	1.3
173.13307	1.4
177.05482	5.5
177.12720	2.2
187.14778	1.7
189.41292	1.2
191.10677	2.3
206.08165	1.4
218.94495	1.6
229.16026	1.4
247.16975	6.9
247.20546	2.5
265.15720	2.0
265.18018	54.4
265.21640	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	265.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52640	1.5
61.63353	1.6
63.57076	1.8
72.04517	38.6
75.48763	1.8
87.24892	2.2
96.66425	1.8
99.03144	2.2
112.53725	2.0
127.11157	2.2
145.02879	2.1
175.05016	7.3
177.05464	16.6
189.76674	2.1
220.10780	70.0
234.65224	1.8
252.32945	2.3
265.16611	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1549
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
55.05503	0.4
60.04524	0.5
70.06594	1.7
72.04519	3.2
72.08165	14.5
84.08124	0.6
89.03908	0.5
89.10793	4.2
94.46865	0.4
98.06046	1.5
109.30832	0.4
114.09174	19.2
115.08662	1.6
117.03362	3.0
122.05999	0.4
122.07136	3.5
137.05989	0.9
144.04739	0.5
145.02856	32.2
145.06473	1.4
149.05930	0.9
152.07065	8.3
165.27631	0.4
167.06972	0.9
173.05997	2.7
176.94075	0.4
177.05470	100.0
187.07481	0.5
190.06194	0.7
191.09421	0.9
204.16519	0.5
205.08636	2.0
206.11761	12.3
217.08698	0.6
219.10254	0.4
247.06898	0.3
247.09616	0.6
248.12820	6.7
265.15479	57.4
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
50.97197	0.5
58.16828	0.4
61.68431	0.4
62.91368	0.5
72.08153	5.7
72.42802	0.4
89.03911	0.7
89.10781	4.4
112.61172	0.5
115.08663	2.0
117.03382	3.0
128.63089	0.5
145.02849	30.0
149.05972	1.8
177.05469	100.0
178.08560	0.7
206.11745	0.5
248.12811	8.3
265.15466	16.6
279.34479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
53.17800	0.1
62.24574	0.1
67.05166	0.1
69.88747	0.2
70.83377	0.1
72.08161	8.5
89.03915	1.7
89.10794	6.0
89.54406	0.2
93.07053	0.2
98.06022	0.2
112.58595	0.2
114.20873	0.2
115.08693	0.7
117.03381	2.0
134.03607	0.3
135.04362	0.6
135.08038	0.2
145.02856	6.8
149.06007	3.0
163.03914	6.7
177.05472	100.0
248.12816	4.6
265.15479	18.1
265.18405	0.4
271.06833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58283	0.3
55.05515	0.4
60.04560	0.4
63.26497	0.2
67.39556	0.3
67.66768	0.2
67.92493	0.3
70.06590	1.6
72.04528	3.9
72.08160	20.8
75.24718	0.3
83.06775	0.3
84.08184	0.3
87.99486	0.3
89.03931	0.5
89.10796	4.7
98.05531	0.3
98.06048	2.6
114.09177	22.2
115.08706	2.4
117.03391	2.5
122.07186	1.3
137.05966	1.0
145.02858	31.0
149.05975	1.4
152.07062	7.7
163.03865	1.2
176.11836	0.6
177.05475	100.0
191.09369	1.2
193.01309	1.1
194.01685	2.9
196.76608	0.3
206.11778	12.9
240.21205	0.3
248.12846	7.1
256.62308	0.6
265.09164	1.3
265.15472	61.5
265.20148	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	265.1548
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
54.97384	0.2
55.05526	7.2
55.66173	0.2
56.96578	0.2
57.05834	0.3
60.72247	0.2
67.05534	0.2
67.34665	0.2
69.03441	0.3
72.08162	100.0
78.55943	0.2
89.10791	1.0
91.86028	0.2
109.06535	0.2
117.03386	0.3
120.08105	12.4
122.07162	0.3
126.71851	0.2
129.91386	0.2
137.05956	0.2
145.02863	4.5
149.06020	0.4
163.03906	0.4
166.08638	11.9
176.13152	0.2
177.05472	18.2
219.14978	0.8
247.14439	0.5
248.12909	1.3
265.15500	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	265.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13242	0.1
58.97099	0.1
63.02386	0.1
67.40349	0.1
72.08161	4.9
89.03906	0.9
89.10796	3.7
92.17841	0.1
98.06052	0.8
110.12956	0.1
115.08692	1.1
117.03385	2.9
120.08115	0.5
134.03606	0.5
144.04054	0.1
145.02852	31.6
149.05978	1.2
163.03926	0.2
168.77448	0.1
177.05470	100.0
248.12804	6.1
265.15469	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	265.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.6
58.14460	0.7
70.06599	27.8
72.08162	65.1
84.08154	26.7
86.09699	1.0
89.10759	3.1
98.06057	16.1
99.09216	1.6
100.07608	1.6
107.04964	1.6
115.03963	0.8
115.08675	3.7
117.03323	1.2
127.08737	7.4
127.09491	1.0
134.03563	1.0
137.05981	6.0
145.02843	1.1
145.06508	6.7
146.05983	2.0
149.05989	52.3
151.07544	20.7
156.05745	1.1
159.08015	1.9
166.08629	7.3
167.07050	4.6
173.05971	7.4
177.05472	100.0
178.08624	18.2
179.29372	0.8
187.07545	3.6
190.06248	3.6
191.07034	4.2
191.66074	0.8
194.08058	1.4
200.42342	0.9
205.08615	8.5
205.10770	3.0
217.08690	4.1
219.10226	1.2
220.13335	69.0
221.08101	5.5
233.08061	1.3
236.12961	1.6
237.15958	23.8
247.09669	1.5
248.12817	25.4
265.10916	5.5
265.15430	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	265.112
Annotation	Thiamine
Peak:m/z	Relative Intensity
59.00914	0.2
62.07637	0.2
63.31123	0.2
63.95564	0.2
70.06583	0.4
72.08150	1.7
81.04549	5.2
98.06048	0.3
108.99860	0.2
122.07153	100.0
126.03731	0.3
131.99359	0.4
132.95891	0.3
144.04784	24.8
145.02879	0.4
145.44475	0.2
146.97426	0.4
156.50159	0.2
177.05460	1.1
189.87198	0.2
244.64920	0.2
265.11188	1.7
265.15372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	Populene F
Peak:m/z	Relative Intensity
55.05521	0.7
67.05511	0.9
69.03448	2.7
71.05019	0.5
73.06569	1.2
79.05499	0.7
81.03431	0.6
83.54628	0.5
91.05475	0.8
93.07071	0.9
95.04945	0.6
95.08566	0.4
101.63845	0.6
103.05479	2.4
105.07033	7.1
107.04956	0.8
115.76231	0.4
120.05720	0.5
133.06483	2.6
135.08064	4.6
137.05980	1.1
145.02838	0.9
145.10165	1.0
150.06709	1.0
151.07541	0.6
161.06087	0.6
163.07521	8.5
165.05380	0.5
165.09120	7.1
173.09637	1.1
177.05505	3.6
177.09093	0.7
177.12753	2.1
178.06235	0.6
179.07033	7.6
187.11156	1.9
190.09860	0.9
191.07054	0.7
191.10675	6.4
193.08604	100.0
195.06560	1.1
200.08337	2.1
205.12247	28.9
207.10147	0.8
211.09657	13.3
215.10709	3.5
233.11723	23.2
247.13283	6.3
265.14304	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	265.1073
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
50.85299	0.8
58.67114	0.8
72.08151	2.2
81.07028	1.3
81.86439	0.9
83.01333	2.0
83.99781	1.0
84.53761	0.8
85.90306	0.8
89.03877	1.0
89.10804	1.2
91.05460	6.7
91.53075	0.9
93.07038	1.2
95.08633	1.0
99.99799	1.0
105.07043	1.3
107.04958	1.8
109.15231	0.8
115.05430	4.5
117.07010	16.6
119.08543	1.7
121.06509	20.2
123.14606	0.9
132.05666	1.2
133.06511	1.1
135.08011	1.0
137.05981	1.7
137.09569	1.1
139.07594	6.5
145.02844	8.1
145.06458	10.2
146.07274	13.9
147.04385	1.7
147.08032	11.6
149.05981	1.7
149.09608	4.4
151.07530	5.5
161.05989	1.7
161.09560	1.8
162.06766	20.6
163.07536	6.1
167.07042	1.9
173.05959	1.6
175.07541	9.9
175.14807	1.1
177.05510	24.4
177.09108	88.9
179.07062	2.1
191.07080	1.7
193.08594	10.5
195.10217	3.5
198.83356	1.0
205.08580	11.2
208.07393	1.8
218.94386	1.6
223.09668	62.1
237.09138	1.3
241.95932	1.2
248.12749	1.4
265.10727	100.0
265.15274	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	265.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03005	0.2
61.91164	0.2
62.95473	0.2
66.61543	0.2
67.05513	1.5
72.04524	33.1
74.29782	0.2
75.62859	0.2
79.51334	0.2
81.07063	2.1
85.06544	0.6
89.01502	0.3
93.07092	0.3
95.08602	2.0
97.10168	0.3
99.08076	0.3
100.07626	100.0
100.16906	0.2
105.07060	0.4
107.08603	0.4
109.10175	1.0
121.10139	0.4
131.08560	0.3
133.10114	0.3
138.20676	0.3
145.02870	1.0
158.19986	0.3
177.05444	2.1
191.14410	0.4
201.04288	0.3
220.24313	0.3
265.10410	3.3
265.15561	0.3
265.18164	1.1
265.21725	1.2
280.88403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0862
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
53.31991	0.6
56.57155	0.6
61.44860	0.5
77.02094	0.6
82.84728	0.6
92.17728	1.2
99.82151	0.7
114.10282	2.9
115.10615	2.5
128.06223	0.7
129.06999	12.2
130.06537	100.0
131.07335	1.2
132.05273	6.4
132.08098	2.5
133.05568	8.2
134.05791	5.2
154.06561	7.2
155.07320	2.7
156.08092	62.7
158.06018	75.5
166.06509	2.8
172.07518	7.8
174.05528	3.5
174.09102	1.2
182.06032	8.3
183.06860	5.0
184.07582	53.4
188.03186	0.6
200.07068	76.4
202.08606	1.4
202.14238	1.1
203.14633	1.1
204.13013	2.1
204.14851	2.5
205.13145	4.9
210.05504	20.0
218.08136	31.4
218.64371	0.6
228.06558	51.8
246.07617	41.1
247.15245	4.3
264.08640	9.8
264.17920	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	264.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22437	0.7
54.49685	0.8
66.36490	0.8
69.59812	0.8
81.74263	0.8
85.60915	0.7
129.07014	12.3
130.06532	100.0
132.08070	3.6
133.05577	0.8
154.06519	10.4
155.07295	3.9
156.08089	64.5
158.06015	71.7
166.06538	3.4
172.07628	10.0
174.05530	1.6
174.09129	1.5
177.05516	1.4
182.06015	8.7
183.06830	4.3
184.07581	45.9
196.34186	0.8
200.07076	78.9
202.08701	3.5
204.64008	0.8
210.05501	15.7
218.06065	1.0
218.08141	30.1
218.10161	1.6
228.06551	48.3
246.07603	45.3
264.08688	9.0
264.17880	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	4-Dodecylphenol
Peak:m/z	Relative Intensity
52.95598	8.0
55.05502	8.9
55.76199	7.6
57.07079	10.7
61.76279	6.6
67.05507	65.6
67.89317	6.3
69.07058	30.5
79.05509	17.0
81.07065	100.0
83.08631	8.8
88.93622	6.3
93.07065	17.0
95.08619	88.5
97.06562	7.5
98.97572	16.1
99.35345	7.3
107.08618	8.5
109.10151	46.6
121.10127	15.1
123.11738	18.7
133.10158	14.9
135.11758	10.0
147.11668	12.4
154.37703	7.2
214.89766	8.5
227.78055	8.0
235.94559	7.3
245.22638	33.0
249.21474	8.5
263.23651	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.36891	4.0
53.01255	3.8
54.60737	3.6
55.05508	7.8
66.63272	4.5
67.05519	63.8
68.36070	3.7
69.07080	17.8
79.05510	8.5
81.07069	86.5
83.08640	10.5
93.07026	10.9
95.08606	90.8
98.97605	11.0
102.66043	4.6
105.07002	9.5
107.08608	7.7
109.10175	36.8
119.08580	5.6
121.10136	9.7
123.11691	25.5
133.10117	8.0
135.11639	8.5
147.11679	10.6
149.13293	7.7
161.13316	9.6
165.06999	5.1
167.14114	5.2
174.95241	5.0
245.22615	27.8
263.04764	36.3
263.23700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.09307	2.3
53.94025	3.2
55.05512	5.1
57.07089	5.5
57.37731	2.4
67.05510	47.5
69.07066	11.2
71.08603	4.0
79.05497	6.3
81.07066	69.6
82.01168	3.3
83.08618	14.4
85.10163	3.1
91.05466	6.0
93.07039	20.3
95.08607	63.0
97.10165	5.3
98.97595	10.7
105.07027	3.5
107.08603	11.4
109.10168	35.4
119.08562	13.9
121.10143	15.6
123.11711	15.3
133.10121	17.1
135.11702	5.5
137.13254	5.6
147.11697	13.9
149.13315	4.1
151.14821	10.8
161.13251	11.9
162.22762	3.8
163.14731	3.6
165.16393	5.8
175.14862	5.7
177.42560	3.4
245.22597	30.2
263.23679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.5
56.66002	1.4
57.07092	13.7
67.05515	62.4
69.07073	16.7
71.08614	8.3
79.05501	18.0
81.07067	97.4
83.08640	21.0
85.06525	3.3
85.10175	4.1
85.83383	1.9
91.05473	12.7
93.07060	19.2
95.04987	6.6
95.08611	90.5
97.06533	7.7
97.10171	6.7
98.97570	6.9
99.08097	2.6
105.07047	9.1
107.08603	20.9
109.10168	52.9
111.08076	3.4
113.09632	6.2
116.98582	2.0
117.32391	1.5
119.08604	13.3
121.10162	24.4
123.11691	23.7
131.36053	1.6
133.10135	19.3
135.11732	14.7
137.13266	9.0
139.41916	1.6
141.12794	2.6
147.11696	13.7
149.13254	13.9
151.14890	4.0
161.13263	13.4
163.14784	8.3
165.16396	9.1
175.14809	9.9
179.17975	2.6
189.16376	6.9
245.22633	45.0
263.20303	7.0
263.23703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.42588	1.1
55.01102	1.2
55.05534	10.8
55.05745	1.3
57.07087	11.4
58.56260	1.2
59.79208	1.1
67.05515	60.3
69.07081	12.3
71.05016	1.4
71.08618	9.0
72.54205	1.3
79.05506	13.9
80.33446	1.1
81.07068	82.2
83.08628	17.5
85.06519	3.1
85.10164	2.3
91.05491	12.1
93.07042	17.2
95.08613	87.6
97.06522	8.5
97.10172	7.8
98.97578	7.7
99.08091	5.8
104.99265	6.2
105.06998	6.6
107.08601	18.0
109.10165	54.5
111.08082	5.1
113.09641	2.4
116.98603	2.7
119.08577	10.4
121.10166	20.2
121.48377	1.3
123.08096	1.7
123.11708	24.7
125.09641	2.5
127.11156	1.8
133.10150	18.9
135.11705	11.7
137.13278	11.4
140.00156	1.9
141.12733	1.3
147.11687	10.3
149.13251	9.3
151.14815	10.1
158.01292	2.8
161.13272	12.7
163.14842	14.2
165.16441	12.4
175.14862	10.5
177.16380	1.4
179.17874	2.0
180.05916	1.4
189.16356	2.8
196.06133	1.4
198.98907	1.5
199.22517	1.3
220.54131	1.3
245.22649	39.7
263.18076	3.1
263.23694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58714	2.6
55.05512	5.7
57.07072	13.5
66.87331	2.3
67.05506	72.6
69.07076	19.5
71.08638	11.8
72.11404	2.0
79.05499	13.0
81.07061	98.4
83.08635	18.0
85.06534	3.0
85.10188	4.4
86.98051	2.1
91.05466	15.9
93.07054	23.3
95.08611	100.0
97.06545	8.9
97.10158	9.8
99.08109	5.0
105.07009	10.5
107.08614	17.9
109.10163	60.1
111.08103	4.8
119.08570	10.3
121.10111	16.2
123.11712	24.3
133.10120	20.8
135.11690	12.9
137.13240	12.6
141.12695	2.3
142.98024	2.8
147.11678	14.5
149.13211	9.7
150.67255	2.5
151.14822	13.7
151.66321	2.4
161.13298	17.3
163.14847	12.0
165.16403	5.0
170.97504	11.7
175.14825	11.1
175.89630	2.2
179.17908	3.7
187.48575	2.4
189.16362	4.7
198.96956	61.2
216.97949	20.7
221.98598	33.8
239.99594	5.5
245.22626	48.1
263.23666	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.69831	2.2
54.69090	2.1
55.05510	9.6
57.07065	11.3
67.05180	3.6
67.05511	71.4
69.07063	16.2
69.16071	2.4
71.08629	5.6
79.05501	13.0
81.06609	4.3
81.07062	100.0
83.08613	18.8
85.06553	4.6
85.10157	2.5
86.86759	2.2
88.00121	2.2
91.05486	12.0
93.07037	20.0
95.08606	93.0
97.06510	9.9
97.10142	5.7
105.07003	4.3
107.08590	15.2
107.30275	2.1
109.10159	54.4
111.08049	4.5
119.08554	11.8
121.10131	18.3
123.07984	2.6
123.11711	31.7
133.10144	17.5
135.11699	13.0
137.13249	5.6
138.52292	2.6
147.11719	17.7
149.13278	12.2
151.14789	5.5
161.13268	12.4
163.14847	9.1
165.16379	14.6
175.14737	3.6
179.17953	3.1
189.16365	4.8
245.22652	40.5
263.23685	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2008
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
52.96102	4.9
55.01887	4.7
55.05524	33.8
57.03417	4.5
60.03930	3.5
60.37266	4.5
64.43732	4.3
67.05495	26.9
69.07064	19.1
79.05494	38.2
81.07077	46.8
91.05470	10.4
92.18444	9.5
93.07058	33.2
95.04972	8.4
95.08598	25.5
97.10129	7.8
98.97591	25.1
99.64702	4.6
104.99283	7.3
105.07009	20.3
107.08608	24.0
109.10162	8.2
116.98586	4.8
117.07001	4.9
119.08607	33.1
121.10155	18.0
123.08096	7.0
133.06499	5.3
133.10147	9.3
135.11748	6.3
137.09586	4.4
143.08548	4.8
145.10117	5.4
147.08046	19.0
161.09624	22.5
161.13150	4.8
171.11813	6.0
195.13893	7.3
212.97647	4.2
233.95821	4.8
237.64954	4.4
245.18945	6.6
263.06958	5.9
263.10742	5.4
263.20117	100.0
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	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
55.05522	15.2
57.07076	2.2
58.25577	1.2
59.90400	1.3
67.05518	22.1
69.07064	16.7
71.95689	1.3
77.62425	1.4
77.99931	1.4
79.05501	56.4
81.07066	36.3
83.08620	8.3
85.06577	1.6
91.05493	14.5
92.17828	1.5
93.07050	100.0
95.04972	3.1
95.08614	26.2
97.06501	1.6
97.10156	3.3
98.97569	10.2
104.99267	7.9
105.04500	1.8
105.07034	14.3
107.08607	51.0
109.10172	13.8
111.08056	1.7
116.98650	2.9
117.07075	1.7
119.08591	19.2
121.10146	60.6
123.08077	2.0
123.11704	2.4
129.07007	2.0
130.11595	1.4
131.08540	3.3
133.10144	15.1
135.11707	49.3
140.00150	2.2
143.08574	1.8
145.10126	6.3
147.11674	12.8
149.09660	2.4
149.13275	22.5
153.09163	1.6
158.01276	3.3
159.11728	2.6
161.09511	1.9
161.13258	7.9
171.11711	2.8
175.11241	1.7
180.97755	1.7
185.13243	2.4
198.98895	1.8
203.18039	1.8
207.13918	2.5
221.15437	2.7
226.10887	1.5
227.17963	1.8
245.18994	5.9
263.20062	90.6
263.23157	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05663	0.5
60.27649	0.5
63.21754	0.6
72.08162	18.3
73.04057	0.7
89.12088	0.5
91.05468	0.9
97.07646	3.3
98.06064	0.8
105.07042	21.5
114.10300	33.4
115.08707	8.1
129.37892	0.5
129.83971	0.6
131.12932	0.6
133.06500	23.3
133.20908	0.5
174.04138	0.5
203.15459	31.3
204.13853	73.4
221.16414	2.0
246.16026	24.2
263.18680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99673	0.4
60.05651	0.7
63.98730	0.4
72.08159	19.2
81.31001	0.5
84.28084	0.5
91.05487	1.1
97.07655	2.2
105.07038	20.9
108.39507	0.6
114.10284	29.0
115.08695	9.6
133.06497	22.6
151.68454	0.6
162.09015	0.8
203.15433	26.1
204.13834	72.0
221.16508	2.2
246.16005	24.0
263.13919	3.0
263.18658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59424	0.5
59.66426	0.4
59.84543	0.5
60.05687	0.5
60.06004	0.4
72.08156	18.9
73.04034	0.8
73.81426	0.5
91.05476	0.9
95.42584	0.5
97.07655	2.6
98.06055	0.8
105.07040	19.8
114.10291	31.4
115.08688	8.0
131.12943	0.6
133.06494	20.5
198.71684	0.6
203.15439	28.3
204.13834	71.1
221.16493	2.4
223.86137	0.5
245.17166	0.5
246.13493	0.5
246.15994	22.2
263.18661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1644
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
53.30537	2.8
69.07059	2.8
76.94537	3.1
77.69099	3.2
81.07063	4.2
89.74680	2.9
95.04959	4.2
98.97579	14.5
104.99300	4.2
116.98610	4.5
117.06996	4.6
119.08572	13.3
129.06982	3.3
130.42023	3.4
133.10167	6.9
135.08028	4.3
140.00211	4.4
147.08032	16.0
159.11726	3.7
159.86174	3.2
161.09627	11.9
163.07542	3.8
175.07550	6.5
180.97905	5.1
189.09119	5.3
203.14328	5.0
207.10155	5.1
242.50018	3.1
263.06964	5.5
263.16385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1389
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
60.91888	0.3
70.06596	20.4
72.08182	0.4
81.07047	0.7
84.29568	0.4
85.44762	0.4
93.07026	0.4
94.06594	0.7
103.05488	2.3
109.99629	0.4
116.07096	89.3
118.45089	0.4
120.08109	100.0
130.06541	9.8
132.04474	2.3
146.76277	0.5
157.07614	55.0
158.06001	13.8
175.08672	35.4
199.08694	1.5
203.08186	10.1
204.06566	0.7
217.09814	3.5
221.09242	12.2
245.09212	5.8
263.10263	2.0
263.10785	2.0
263.13947	17.7
263.16684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1255
Annotation	AUSTRICINE
Peak:m/z	Relative Intensity
70.45599	0.5
81.07068	0.9
86.09725	1.0
98.97585	1.4
116.98641	0.8
131.00143	1.3
158.01231	0.7
177.12723	0.7
178.13069	1.6
185.21257	0.7
210.62163	1.2
263.12555	100.0
263.22141	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	263.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00240	0.4
57.63489	0.3
57.73800	0.3
70.06600	0.9
83.40397	0.4
94.06491	0.8
100.54464	0.4
107.04887	0.6
116.07080	6.2
120.08125	7.3
122.98320	0.4
130.06522	20.0
131.04915	0.5
132.04431	5.0
157.07613	100.0
158.06015	26.5
159.28026	0.4
159.29349	0.4
175.08665	73.5
199.08690	2.8
203.08150	19.5
204.06485	0.8
205.69685	0.4
217.09727	8.4
221.09224	23.5
245.09244	13.2
250.62074	0.4
263.10345	9.8
263.13980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	8.0
55.05531	0.9
61.87230	0.8
63.57424	0.7
69.07059	1.0
71.62934	0.9
73.02894	1.7
79.73407	0.9
79.86434	0.8
81.07060	1.8
88.32595	0.8
91.05473	1.2
93.07013	1.9
95.08594	1.4
106.94937	0.8
107.08604	1.8
109.10135	1.0
121.10109	1.3
147.07982	1.2
147.11696	1.2
148.07513	0.9
149.13235	1.0
150.05499	4.3
157.10139	1.4
161.13268	1.3
170.25026	1.1
172.07516	6.2
174.09111	1.2
175.07423	1.6
175.08736	2.2
177.05467	4.2
189.10255	8.8
191.08240	7.8
198.12338	0.9
200.07057	5.2
202.07367	1.1
203.08147	49.9
204.06567	44.1
207.42744	1.0
217.09737	49.2
218.07993	1.5
219.10182	2.0
230.06856	1.9
245.09210	52.0
246.07544	3.5
263.10281	100.0
263.20471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1027
Annotation	BBM 2040B
Peak:m/z	Relative Intensity
51.91520	0.7
55.01890	8.4
55.05512	0.9
57.40994	0.7
60.58649	0.8
79.51039	0.8
81.07066	2.1
93.07067	1.1
95.04923	1.0
95.08610	1.2
107.08599	2.1
110.71854	0.9
118.41197	1.0
119.08561	1.4
131.04851	1.0
133.05423	1.3
133.06464	1.8
145.10165	1.1
149.53847	0.9
150.05476	6.5
172.07564	9.5
175.07529	3.5
175.08801	1.8
176.07104	1.4
177.05461	6.3
186.05602	1.1
189.10260	8.6
191.08096	7.9
198.12506	1.5
199.08813	1.5
200.07056	3.8
202.07404	3.5
203.08159	60.5
204.06573	48.4
204.08553	1.5
212.90353	0.8
217.09738	48.2
218.08211	1.9
218.72913	0.8
219.06732	1.2
219.10294	4.7
220.09566	1.0
245.09219	57.0
246.07651	1.3
263.10294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30379	0.4
57.97701	0.4
79.47882	0.5
81.83287	0.5
92.18444	0.9
94.06572	0.6
99.07193	0.6
107.04958	0.7
116.07053	1.0
120.08074	1.1
130.06528	19.2
131.04893	0.7
132.04446	6.0
146.06020	0.5
152.84756	0.4
157.07608	100.0
158.06007	26.2
159.56497	0.5
175.08667	78.6
176.07141	0.5
199.08673	3.1
203.08165	22.9
203.72498	0.5
204.06578	1.0
217.09729	6.9
221.09201	24.1
245.09221	12.5
263.10312	7.5
263.13083	0.7
263.13950	0.5
266.41861	0.5
267.64844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30947	0.2
53.31215	0.2
55.05524	0.2
72.08157	0.4
76.52045	0.2
83.04967	1.0
85.02931	0.2
101.05975	0.4
103.03946	0.4
103.51057	0.2
112.79480	0.2
115.02155	5.5
116.85023	0.2
122.07088	0.2
143.07051	0.3
147.07913	0.5
149.08244	2.4
173.08298	0.2
191.05119	0.2
199.09808	2.0
200.10626	0.4
212.10683	0.2
216.05901	0.4
217.13326	0.2
222.04868	0.2
222.06870	1.5
232.07765	9.1
233.08565	2.4
245.08582	2.2
245.12877	1.2
263.09616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64497	0.5
64.56937	0.5
73.02959	0.7
82.99827	0.8
83.05000	0.6
85.02902	0.9
86.00264	0.6
88.02202	0.6
90.26725	0.7
97.02888	0.7
98.97571	4.5
101.00881	8.6
104.10849	0.6
113.00861	1.4
115.02428	0.6
116.98624	1.5
118.08559	1.1
119.01915	11.4
131.01915	4.1
133.03452	1.1
135.22089	0.7
137.02937	0.8
139.02408	0.9
141.86958	0.8
143.01909	83.7
145.03444	3.5
155.01939	7.4
157.03464	4.3
161.02957	100.0
167.01941	0.9
173.02936	15.6
175.04546	1.3
177.00778	0.7
179.04013	1.5
184.04575	2.5
185.02953	5.8
191.03949	7.4
197.03094	1.2
203.04031	34.6
212.10818	0.7
215.04056	0.7
217.05540	0.7
217.16229	0.9
221.03374	0.8
221.05133	9.3
239.06171	4.1
240.82443	0.7
245.05161	3.4
263.01935	1.2
263.06134	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06242	1.7
70.06593	39.6
72.08125	2.2
73.54862	1.2
79.80795	1.1
84.08126	2.4
85.55279	1.2
95.08622	2.0
120.08089	1.5
127.86115	1.4
149.59772	1.2
154.15898	1.7
155.16248	12.5
159.08012	1.4
159.52228	1.4
160.07561	2.4
170.15355	7.1
171.15733	31.6
172.07491	1.9
173.05704	2.1
174.09099	5.2
189.06946	3.2
198.66412	1.3
200.10811	9.5
204.02962	1.9
216.15891	2.1
217.06393	1.6
217.16289	45.4
218.11746	16.5
231.06673	1.4
263.05176	100.0
263.13919	9.5
263.17163	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	263.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84793	1.0
69.73570	1.0
72.08138	1.0
87.60913	1.2
144.28493	1.1
177.05508	4.2
204.02975	1.6
217.04694	2.6
217.16412	1.2
234.11221	1.4
234.82951	1.0
263.05246	100.0
263.13791	4.1
263.17581	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	262.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46307	0.3
54.24820	0.3
57.07089	2.8
59.10431	0.4
61.27786	0.3
70.06245	0.4
70.06602	8.4
71.08638	3.3
75.45398	0.4
88.07639	21.4
88.17896	0.4
102.08531	0.6
102.09189	14.4
116.05312	0.4
127.05487	0.3
132.10193	0.7
146.11765	0.7
156.17485	0.8
185.83521	0.4
200.20110	73.4
226.00053	0.4
244.22746	4.6
262.23788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11343	0.3
56.05051	7.3
56.55087	0.2
57.07082	4.8
58.06605	5.8
60.04515	1.2
68.05008	0.5
71.08640	2.3
72.31306	0.3
74.06085	9.0
76.87947	0.3
77.65874	0.3
85.10172	2.2
86.06050	1.5
86.09695	0.5
88.07635	11.8
104.07095	0.5
118.08647	4.8
122.08145	8.9
177.12700	0.4
200.20099	0.4
201.51251	0.3
214.21654	55.2
244.22751	2.7
262.23770	100.0
267.37051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22544	0.3
57.07080	3.2
58.06602	0.7
70.06228	0.5
70.06590	7.5
70.43112	0.4
71.08620	3.0
88.07102	0.8
88.07630	22.7
102.09183	16.3
112.16518	0.4
125.44533	0.5
132.10216	0.5
146.11757	0.7
150.11270	0.4
156.17458	0.7
171.56825	0.5
174.18407	0.5
194.16830	0.5
200.20090	75.8
225.00217	0.5
244.22719	5.9
262.23764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2377
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
57.07074	3.2
68.72459	0.3
70.06589	6.6
71.08644	2.6
79.60691	0.3
88.07634	21.7
93.26064	0.4
102.09183	11.1
132.10121	0.7
146.11766	0.5
156.17464	1.3
174.18489	0.4
178.81407	0.4
200.20102	65.2
207.48747	0.4
218.81732	0.4
244.22771	4.3
262.23767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2379
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
51.03056	0.4
55.05509	0.5
56.05042	7.1
57.07089	4.3
58.06611	5.5
60.04517	2.0
68.05003	0.8
69.07024	0.5
71.08610	2.0
74.06087	10.8
76.68917	0.5
79.05493	0.7
81.07063	0.6
85.10201	1.6
86.06063	1.1
86.09716	1.0
88.07632	10.3
92.84927	0.5
118.08670	5.7
122.08154	8.0
123.11677	0.5
175.02734	0.7
177.12741	2.8
179.06903	0.5
190.84029	0.5
192.13849	2.1
214.21655	61.5
244.22745	2.4
262.23798	100.0
282.60132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80551	0.3
57.07084	2.9
60.31913	0.3
63.67736	0.3
70.06597	8.6
71.08638	2.9
88.07104	0.7
88.07631	19.7
102.08538	0.5
102.09191	13.2
107.06209	0.4
132.10234	0.7
146.11742	0.8
156.17487	1.6
200.20093	70.8
207.20137	0.4
235.88158	0.4
244.22748	4.5
262.23764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
58.62876	0.4
69.07072	3.4
70.06590	5.2
70.18700	0.3
70.80681	0.4
81.07057	0.5
85.06547	0.7
88.07638	15.0
93.07041	0.7
95.08595	0.7
97.10143	0.9
102.09206	6.5
106.08677	6.2
108.83386	0.4
132.04518	0.5
138.10287	0.7
156.08482	0.5
182.15419	0.9
200.16411	1.5
202.08975	1.9
216.10442	0.9
226.17996	2.2
232.75426	0.4
244.19067	30.3
262.11084	3.1
262.20139	100.0
280.18860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
59.57133	0.4
64.74300	0.5
69.07066	3.9
70.06594	5.2
71.41924	0.4
74.64507	0.4
75.91485	0.5
80.01582	0.5
81.07054	0.5
84.05632	0.7
88.07636	17.5
93.07056	0.8
97.06573	0.9
97.10188	1.9
102.09190	5.7
106.08685	8.5
109.20726	0.5
121.10142	0.8
138.10242	6.0
145.02863	0.5
182.15494	0.8
200.16385	0.7
226.18083	1.1
227.06619	0.7
244.19072	30.7
262.20148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70155	0.5
55.05535	2.0
58.55116	0.4
64.38618	0.4
76.38617	0.4
80.62956	0.4
84.05637	10.3
89.03561	0.5
93.07074	0.5
96.05606	0.9
110.07165	0.8
138.10269	100.0
142.11841	0.5
149.09610	1.1
214.30922	0.4
217.68497	0.5
234.19632	1.1
262.19122	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.4
59.05014	0.4
60.04535	0.9
60.05664	7.2
61.04074	0.4
67.05507	0.7
72.05251	0.8
72.05649	17.3
73.04051	0.7
79.05507	2.6
80.05016	7.5
81.07076	4.2
82.06579	0.7
84.04507	0.5
84.05641	0.8
85.02895	3.8
86.07202	0.6
91.05486	0.7
93.07050	5.9
95.04996	0.5
95.08614	1.8
98.06033	0.8
102.06659	3.9
105.07058	0.9
107.08599	2.9
108.08139	0.6
109.10152	2.3
110.02427	0.7
110.06055	0.9
119.08585	2.8
121.10162	2.5
123.08070	0.6
131.08577	3.9
137.09628	2.7
140.08173	0.5
148.11218	4.4
149.09615	3.9
162.08798	0.7
166.12302	3.4
184.13329	0.7
191.12907	0.5
202.14401	0.8
208.14537	0.6
216.15973	2.0
226.15536	2.2
244.16595	7.0
262.11774	2.4
262.17664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44388	0.7
55.05527	0.9
58.06613	1.2
60.04531	1.5
60.05656	15.0
60.08182	1.4
63.85257	1.0
67.05506	0.9
72.05650	57.1
72.08168	3.4
79.05513	1.9
80.05048	3.8
80.65981	0.9
81.07068	3.2
83.05000	1.6
84.04538	1.2
84.05650	5.0
84.08189	1.1
85.02917	17.8
85.04064	4.8
85.77538	0.9
89.60356	0.8
93.07043	3.8
95.05005	1.3
96.08159	1.0
102.06693	5.0
104.07171	1.1
107.08614	1.5
119.08640	1.3
121.02913	3.6
121.10131	1.6
128.08211	1.5
129.06564	6.6
131.08649	4.5
137.09631	1.4
144.07745	3.6
145.06111	1.4
146.09253	35.7
146.27727	0.9
148.11203	10.9
149.09692	4.0
162.08740	27.4
166.12370	4.7
174.31143	0.8
190.13559	1.1
191.12636	0.9
199.77605	0.8
208.14633	4.4
209.04561	1.8
226.15536	8.2
240.13518	1.0
244.16574	41.1
262.17749	100.0
270.80780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.9
67.05491	2.9
69.07059	1.8
69.72975	0.4
79.05519	0.7
81.07076	3.6
81.07491	0.4
83.08617	0.5
84.08192	0.5
85.06542	0.7
87.04456	2.6
93.07053	1.7
95.08637	3.1
109.10143	0.5
127.00770	0.5
135.11713	2.4
154.15913	19.9
159.06308	0.4
165.33107	0.4
170.15401	86.7
176.10719	2.9
180.13820	1.1
183.98828	0.5
198.14899	2.4
200.16493	2.9
216.12328	2.5
216.15950	100.0
229.85182	0.5
230.10294	0.5
262.14328	2.5
262.16531	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	262.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27691	0.2
55.05529	0.3
57.03461	0.5
58.75505	0.2
59.05007	4.2
59.19472	0.2
60.05647	1.9
60.08169	8.5
60.08461	0.3
61.32255	0.2
61.77371	0.2
69.03458	0.3
70.06621	0.6
72.05644	6.2
72.08160	0.4
79.05482	0.4
80.05022	1.4
81.07056	0.4
82.64971	0.2
83.04984	1.0
84.05626	1.0
85.02910	100.0
93.03413	0.3
93.07037	1.1
95.08619	0.4
96.04489	0.3
101.06031	0.3
102.06656	0.6
103.03963	0.9
107.08576	0.3
111.04381	0.3
119.08565	0.6
121.02824	1.1
121.10129	0.5
129.06538	0.6
131.08577	0.4
137.09607	0.4
139.03926	0.3
144.10211	3.7
145.04973	13.4
146.09221	3.6
148.11189	0.4
149.09538	0.4
152.72456	0.3
158.09006	0.3
166.12117	0.4
182.76854	0.3
185.08154	2.2
203.08943	0.5
204.12177	1.2
209.04344	0.5
221.04817	0.3
226.15445	0.5
244.06494	0.4
244.16560	3.5
262.16376	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0713
Annotation	Oxolinic acid
Peak:m/z	Relative Intensity
56.96576	1.0
71.08667	0.4
72.08137	0.6
81.12405	0.5
84.08157	0.5
86.09693	0.6
87.04467	0.7
87.62728	0.5
89.17060	0.5
89.53014	0.5
92.01195	0.5
95.74666	0.5
100.07604	0.6
104.05002	0.9
114.09187	2.0
115.05455	0.6
116.01758	0.6
130.06529	2.2
131.91675	0.6
132.04454	100.0
133.05249	5.1
142.06488	2.2
144.08099	4.0
146.06013	82.8
154.06548	2.1
156.04433	0.9
158.06049	5.0
170.06006	50.1
170.15466	0.6
172.07552	11.3
174.05498	17.3
188.07007	4.5
190.66772	0.6
192.06642	2.1
198.05513	66.5
200.07065	3.9
205.09604	0.6
216.06564	59.4
216.15982	1.2
220.06117	0.6
226.04948	0.9
244.06035	32.6
262.07056	20.6
262.10690	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	261.2214
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
55.05500	2.7
55.63348	2.4
57.24734	2.1
67.05502	12.7
79.05515	17.7
80.66641	2.7
81.07073	26.9
83.08620	3.1
85.06550	2.6
85.45641	2.7
91.05483	11.2
93.07039	41.6
95.08604	23.2
101.95200	2.7
105.07043	6.0
107.08591	31.8
109.10155	12.0
114.10291	3.8
117.07039	4.9
119.08570	9.7
121.10143	25.6
123.11693	3.8
131.04929	24.2
131.08565	19.8
133.10127	5.2
133.46910	2.6
135.11674	18.4
145.10120	15.9
147.11681	13.6
149.13280	16.0
159.11697	10.5
161.13255	10.0
163.14806	16.9
173.13269	16.4
177.16368	5.0
187.14827	11.3
201.13979	3.4
201.16269	4.2
202.12315	4.0
243.21089	52.5
261.13263	3.7
261.16226	18.3
261.22147	100.0
283.52655	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
55.05511	8.0
57.03417	1.7
57.07070	3.6
62.48704	1.4
67.05241	1.6
67.05515	25.9
69.07057	8.7
71.04975	2.0
71.08634	2.5
75.17077	1.5
77.63663	1.4
79.05505	41.5
81.07063	34.8
83.04995	2.2
83.08615	7.1
85.06550	2.5
86.89503	1.8
91.05508	11.3
93.07054	64.0
95.04951	3.2
95.08613	30.4
97.06540	2.3
105.07030	12.2
107.08601	50.9
109.10161	11.6
113.09642	1.7
117.07006	3.5
119.08591	12.7
121.06487	1.8
121.10148	36.0
123.11686	3.7
131.08582	17.6
133.10135	8.5
135.11682	29.7
145.10153	15.9
146.96402	1.6
147.11696	15.1
149.09642	2.9
149.13260	23.3
159.11655	8.8
161.13245	10.4
163.14784	15.0
173.13255	9.8
177.16344	6.8
187.14828	3.8
187.93115	1.8
192.31920	1.6
220.61671	2.3
243.21088	26.2
261.16083	2.2
261.18741	3.3
261.22150	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	261.2215
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
50.57201	1.3
52.83605	1.0
55.05505	8.0
56.90384	1.0
57.07076	5.7
60.05602	1.0
67.05189	1.5
67.05516	32.4
69.07060	8.1
71.08624	5.7
79.05503	47.9
81.06611	1.9
81.07068	39.1
83.08624	5.0
85.06525	1.6
85.10210	1.4
91.05481	16.7
93.07051	69.3
95.04977	2.6
95.08616	30.0
97.06522	1.6
97.10159	4.8
98.47272	1.2
99.08109	2.7
105.07059	15.7
107.08607	50.9
109.06562	2.1
109.10172	12.6
111.08132	1.7
117.07037	8.8
118.07150	1.4
119.08605	11.9
121.09347	2.4
121.10149	43.6
123.11666	2.1
131.08566	19.1
133.10139	11.9
135.08067	1.8
135.11690	33.8
137.09615	1.5
145.10112	16.4
147.11726	8.3
149.09586	2.0
149.13272	25.3
153.12727	1.4
159.11664	13.1
161.13269	12.5
161.76695	1.4
163.14815	18.5
166.63823	1.3
173.13266	9.4
175.14902	3.1
177.16389	6.3
187.14868	7.5
233.22729	1.5
243.21082	35.6
261.16034	1.8
261.22147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.7
57.07061	2.1
60.80221	1.1
63.87247	1.3
65.97356	1.2
67.05237	1.3
67.05510	22.6
69.07050	6.4
71.04974	1.3
75.77472	1.2
79.05502	24.3
81.06616	1.3
81.07066	30.1
83.08613	5.8
85.06543	2.4
91.05456	7.7
93.07046	34.1
95.04979	1.4
95.08621	19.6
97.06558	2.1
99.08083	2.1
105.07043	9.6
107.08595	30.9
109.10139	9.4
117.06996	1.9
119.08566	9.4
121.10159	30.6
122.90556	1.4
123.11700	2.2
125.99075	1.6
130.14821	1.3
131.08545	7.7
133.10085	9.8
135.11690	28.6
145.10123	9.7
147.11684	9.0
149.13254	26.7
159.11711	8.1
161.13237	9.6
163.14825	19.2
169.48982	1.5
173.13257	6.4
175.14795	2.5
177.16417	3.2
187.14774	1.6
201.16461	1.6
243.21039	30.6
253.01962	1.5
261.22131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
52.51900	1.3
55.05508	3.2
55.12920	1.6
57.07063	1.8
64.36232	1.3
64.80280	1.3
67.05511	18.4
69.07056	7.3
72.36132	1.2
73.97987	1.3
76.55026	1.5
79.05498	20.7
79.77596	1.4
81.07063	27.0
83.08616	3.0
83.26971	1.3
85.06547	1.5
87.32584	1.6
91.05460	9.2
93.07051	40.8
95.08601	21.7
97.06495	1.8
97.10120	2.6
99.08094	2.3
105.07013	8.5
107.08603	31.7
109.10186	10.3
116.18597	1.7
117.07023	2.7
119.08559	7.8
121.10141	29.5
121.51392	1.3
123.11752	1.8
131.08560	9.9
133.10106	10.3
135.11690	31.3
145.10124	10.3
147.11691	6.9
149.13252	29.0
159.11693	6.1
161.13248	8.3
163.14803	21.3
172.24356	1.4
173.13283	9.7
175.14711	2.0
177.16422	6.7
187.14786	7.5
201.16393	3.0
243.21097	25.1
253.36940	1.6
261.22119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
51.27631	1.9
54.33877	1.7
55.05505	4.5
61.38555	1.6
67.05513	17.6
69.07053	8.6
71.69360	1.8
79.05502	21.4
79.81654	2.0
81.07079	20.8
83.08599	8.8
85.06536	3.1
86.90836	1.9
90.58562	2.1
91.05462	12.6
93.07051	34.1
95.04912	2.3
95.08624	23.9
99.08079	2.7
105.07048	16.0
107.08615	25.9
109.06470	2.0
109.10154	11.1
111.08064	3.6
119.08573	9.8
121.10129	23.9
131.08577	11.7
131.74425	1.9
133.10144	16.7
135.11696	23.3
145.10092	9.2
147.11707	5.1
149.13284	17.5
150.28873	2.2
159.11751	4.2
161.13277	10.3
163.14857	14.9
173.13235	3.6
175.14803	3.8
177.16365	2.7
187.14772	4.3
223.42419	2.2
243.21080	30.0
259.36856	2.0
261.12973	2.7
261.18628	13.9
261.22122	100.0
261.24835	4.5
262.32422	2.1
270.61707	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	261.2215
Annotation	4,5-(methanoxyethano)isolongifol-4-ene
Peak:m/z	Relative Intensity
50.59291	1.6
51.34947	1.4
55.05501	7.7
55.46220	1.7
57.07078	2.9
67.05520	23.4
67.22240	1.7
69.07079	4.1
71.04971	2.3
79.05515	25.7
81.07060	33.8
83.08614	4.0
91.05460	12.0
93.07050	45.3
95.08617	25.7
97.06526	2.1
97.10173	1.7
98.81956	2.1
99.08083	3.1
105.07022	13.1
107.08599	26.6
109.10133	9.9
111.08083	2.5
117.06990	3.6
119.08595	15.2
121.10138	35.0
123.11729	2.3
126.51839	1.6
130.62135	1.8
131.08543	11.1
131.68840	2.0
133.10124	14.0
135.11708	26.8
145.10193	14.9
147.11659	11.8
149.13271	29.2
159.11682	11.2
161.13277	14.5
163.14810	21.5
173.13298	9.8
175.14777	3.2
177.16344	2.9
187.14822	8.5
215.17897	2.9
243.21112	29.7
261.16101	5.9
261.18677	9.5
261.22134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.2
50.02280	0.2
51.02382	0.3
60.05655	0.5
63.96372	0.2
72.08162	5.3
73.04031	0.3
73.33796	0.2
77.03933	0.4
90.78067	0.2
95.04944	0.5
97.07660	1.7
98.06035	1.9
103.05476	6.3
104.50930	0.2
114.10295	30.1
115.08694	10.3
119.16080	0.2
131.04933	100.0
148.07568	0.4
201.11961	0.5
201.13873	20.1
202.12274	34.2
218.24835	0.2
219.14934	1.5
244.12473	0.2
244.14447	17.6
261.17108	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71178	0.5
56.57105	0.5
72.08160	5.2
97.07624	0.7
98.06055	0.8
102.84605	0.8
103.05478	5.5
114.10293	37.0
115.08689	11.3
122.58791	0.7
131.04936	100.0
195.76218	0.7
201.13887	21.7
202.12283	40.2
208.54010	0.7
219.14920	1.5
244.14476	20.5
257.13937	0.8
261.17111	91.0
272.29648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39911	0.7
60.05657	1.0
70.32489	0.8
72.08160	9.7
93.99327	0.9
97.07633	1.5
98.06027	0.9
103.05457	5.7
114.10292	48.8
115.08666	4.6
131.04930	100.0
152.52397	0.8
201.13878	15.3
202.10469	1.5
202.12270	26.4
219.14888	1.7
244.14447	17.8
261.17093	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	261.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08154	5.0
73.04044	0.5
77.03951	0.6
77.92215	0.4
78.38480	0.4
86.97432	0.4
89.46776	0.4
90.54369	0.4
95.04975	0.5
97.07629	1.0
98.06036	1.9
103.05465	6.3
114.10293	30.8
115.08685	8.8
131.04929	100.0
139.28087	0.4
148.07607	0.6
157.19237	0.4
201.13882	21.6
202.12273	35.6
214.83980	0.5
219.14894	1.9
244.14452	17.1
261.17096	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07453	0.3
60.05643	1.4
61.45825	0.3
72.08161	9.6
89.10778	2.1
97.07660	2.8
98.06040	1.3
103.05456	6.7
114.10290	47.0
115.08701	5.2
115.89985	0.5
131.04926	100.0
131.12926	1.8
132.90710	0.4
148.07616	0.4
201.13878	14.6
202.12267	24.7
219.14999	1.3
243.08148	0.4
244.14436	18.4
244.16920	0.6
261.09351	1.3
261.17105	73.0
271.55206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82561	0.3
56.61143	0.3
60.05664	0.4
68.81005	0.3
72.08161	5.9
72.39821	0.3
73.04038	0.7
74.23879	0.3
77.03922	0.6
95.04974	0.5
97.07660	1.9
98.06054	1.7
103.05478	6.4
104.48256	0.4
109.68489	0.3
114.10293	34.9
115.07940	0.6
115.08698	11.4
131.04933	100.0
145.48808	0.3
151.13129	0.4
183.81268	0.3
201.13878	21.4
202.12267	35.5
219.14975	1.8
244.14452	20.2
244.16959	0.7
261.17105	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58781	0.5
70.06577	2.9
73.00769	0.4
86.09682	0.5
87.09210	1.1
105.30486	0.4
120.08081	0.8
130.06549	0.9
132.08046	0.7
134.09627	0.6
141.60512	0.4
144.08083	7.0
145.08888	1.0
158.09673	2.2
160.11206	3.4
170.09633	11.0
171.10394	4.0
172.11215	0.8
174.12735	0.9
184.11203	3.0
186.12802	10.2
188.07059	0.5
189.07817	1.6
198.09198	1.7
200.10747	0.5
201.13943	4.6
202.14671	3.5
204.10187	6.7
212.10706	4.5
216.10214	2.2
217.17073	3.6
218.11798	0.6
223.79568	0.6
227.03171	0.5
230.11790	5.0
243.14815	0.5
247.67801	0.5
261.15976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1599
Annotation	7alpha-Hydroxysophoramine
Peak:m/z	Relative Intensity
50.05074	0.3
50.16238	0.3
56.05033	0.4
58.06597	0.6
69.07059	0.7
70.06602	7.7
72.08139	1.3
84.04507	10.9
86.09713	23.6
98.09697	3.0
102.05569	0.4
115.12298	0.5
116.10726	9.5
120.08102	2.0
121.08907	3.5
122.09675	4.9
124.07571	1.4
130.05005	2.9
132.10211	9.1
140.07097	1.6
144.08034	0.4
146.06123	0.5
146.09682	0.5
147.04390	3.6
160.07628	1.3
160.11240	1.7
170.11806	1.5
172.11214	0.8
174.09158	2.0
187.10162	0.6
189.11511	2.0
198.11264	4.1
200.10686	2.9
203.11833	2.6
216.10223	1.7
217.13467	1.4
217.16978	1.9
218.11809	4.6
218.14169	22.5
225.87917	0.3
233.09514	0.4
243.15166	0.6
244.11819	1.9
261.15997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1601
Annotation	7alpha-Hydroxysophoramine
Peak:m/z	Relative Intensity
57.87886	0.2
58.06615	0.3
69.07076	0.2
70.06604	2.7
72.08173	0.3
74.48405	0.3
86.09701	0.5
87.09221	1.8
97.56628	0.3
118.06523	0.4
120.08090	0.4
126.61957	0.3
130.06534	1.3
132.08130	1.2
134.09604	0.4
144.08075	7.3
145.08870	1.0
146.09654	0.3
149.07846	0.3
158.09673	2.5
160.11197	2.8
165.04865	0.3
170.09642	10.7
171.10428	4.7
172.11221	0.3
174.12782	1.6
184.11156	2.4
186.11600	0.4
186.12799	9.4
189.07942	0.6
197.08368	0.3
198.09117	0.6
201.13904	4.7
202.14598	2.9
204.10223	6.1
209.09830	0.3
212.10753	3.3
215.15353	0.4
216.10266	2.0
217.16982	3.9
218.11703	0.6
230.11765	3.5
241.59587	0.3
243.15015	0.5
261.15982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1449
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
54.08461	0.3
55.05481	0.4
56.05034	0.8
56.96556	0.7
57.03427	0.3
58.06592	1.8
60.04517	0.7
60.05639	0.4
66.60972	0.3
68.05040	1.3
69.03410	0.6
70.06598	5.8
71.04978	1.6
72.04491	0.4
72.08161	4.8
73.08469	0.4
73.23946	0.4
75.49650	0.4
80.05016	0.7
81.03411	0.8
81.04549	0.8
84.04472	2.5
84.05612	1.3
84.08148	12.1
85.02888	0.8
85.05939	0.5
85.08467	2.7
86.06059	0.6
86.09708	6.1
87.10016	2.5
95.06084	0.5
96.08115	0.6
97.02896	0.5
98.06064	3.7
98.71490	0.4
98.97574	3.8
99.05576	0.7
99.09230	0.5
101.00880	0.7
102.05514	1.5
103.86967	0.5
104.02527	0.6
104.03358	0.4
105.45193	0.4
108.08109	0.5
111.05574	5.2
112.07603	0.7
114.05481	0.7
114.10262	0.7
116.07100	18.9
116.98571	1.5
118.22963	0.4
119.01900	0.8
120.08096	0.5
120.15758	0.4
122.06010	0.6
124.07535	0.6
126.09135	3.1
127.12289	2.1
128.07056	3.6
128.10754	0.4
129.06537	1.4
129.10196	2.8
130.05008	2.9
130.06474	0.6
130.08656	4.1
130.09540	0.7
130.10568	1.7
131.05301	0.6
131.08954	2.2
136.07506	0.8
137.05957	0.5
140.10600	0.4
140.98532	0.9
142.08644	0.5
144.11307	0.6
146.08133	7.1
147.07645	0.5
147.11255	1.6
148.05156	0.4
148.07634	3.3
148.11613	2.3
152.14282	0.5
154.08582	0.6
156.10110	0.7
158.08105	6.4
158.99628	2.2
161.02870	0.6
165.10133	0.4
166.08630	7.7
169.03349	0.7
172.09624	0.8
172.79634	0.5
174.07559	2.6
175.04478	0.4
177.00673	2.2
178.00557	0.5
183.11267	0.5
184.09694	5.2
187.04434	0.8
189.00793	0.5
190.12178	0.8
194.04910	0.7
201.00737	0.4
201.02431	0.6
202.10742	8.9
211.10828	0.4
215.17581	0.7
217.58705	0.4
218.10153	0.4
219.01709	0.6
219.13268	0.7
225.12262	2.0
238.03841	0.9
243.13350	8.5
244.17273	0.5
256.04706	0.6
261.02985	1.7
261.14362	100.0
261.20013	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1449
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
51.84502	0.2
52.94181	0.3
56.05053	0.7
57.13084	0.2
59.86889	0.2
69.07057	0.4
72.08170	0.5
73.99573	0.3
75.44585	0.2
81.07060	0.3
83.05650	0.3
84.04514	44.7
85.02939	0.4
86.06081	3.3
86.09714	100.0
87.01071	0.3
92.17809	0.3
102.05559	1.7
114.05549	1.2
115.49246	0.2
130.04037	0.5
130.05008	12.3
132.10214	49.7
142.05011	5.2
152.10713	1.4
169.08604	3.0
170.11780	1.8
174.03073	0.3
197.12955	0.3
198.11261	13.0
215.11815	1.8
217.13417	0.5
243.13454	0.4
244.09898	0.3
244.11809	11.0
261.14478	17.2
261.20618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	1.1
65.05717	0.5
67.58340	0.4
69.07072	5.8
72.08176	0.6
84.04514	43.4
85.41807	0.4
86.09713	100.0
87.33844	0.5
102.05563	2.0
116.10733	2.1
130.05003	13.4
132.10216	43.2
170.11752	4.2
198.11264	15.7
231.31317	0.4
243.13419	0.9
244.11801	9.5
261.14355	16.2
261.18488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1446
Annotation	Glu Leu
Peak:m/z	Relative Intensity
56.05036	2.5
58.89098	0.4
60.17270	0.4
69.03442	0.5
69.07056	0.5
72.08153	2.3
84.04510	80.6
84.30125	0.4
85.02909	1.8
86.09711	100.0
87.04475	0.5
92.17828	0.5
98.06068	2.7
98.98461	0.8
102.05549	19.2
113.07130	1.8
115.08694	2.6
118.10318	0.4
129.06593	7.5
129.07317	0.4
130.04993	0.8
132.10208	65.4
140.10703	2.4
141.06578	5.1
152.10725	1.7
157.13393	1.0
158.11777	7.3
174.02682	0.6
175.14429	2.3
183.11336	0.9
192.03720	0.7
197.12860	59.6
201.12379	1.7
201.82394	0.4
215.13931	0.7
225.12325	6.7
243.13393	67.9
255.99867	0.8
261.08713	0.7
261.16028	0.6
261.18228	4.8
284.53015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83488	0.9
54.49314	0.7
55.01874	1.1
57.03430	1.1
61.02925	6.8
67.05498	3.8
69.03441	9.3
70.06577	1.8
72.08155	1.9
73.02921	8.8
78.44401	0.9
81.03413	5.0
84.04498	1.5
84.08157	10.5
85.02425	1.2
85.02914	28.5
86.09723	1.4
87.04464	1.9
88.49538	0.9
91.03974	1.5
95.04948	1.9
97.02886	10.4
98.06024	5.4
98.97571	2.1
99.04459	1.5
101.00854	5.4
102.02398	1.5
102.05550	1.5
107.03422	1.0
109.02872	3.6
111.04433	1.2
111.05561	17.7
113.00850	1.0
116.07089	19.3
119.01938	9.0
119.03418	1.1
121.02907	1.6
123.02949	0.9
126.98534	0.8
127.03880	5.2
127.12270	1.6
128.07050	3.9
129.06638	3.0
131.01915	1.5
132.03395	0.9
133.03438	1.9
135.02895	1.1
137.02977	1.1
138.88078	0.8
139.03905	1.9
143.01920	12.3
144.03345	1.6
145.03488	1.2
145.04955	1.3
146.08141	6.6
148.07539	3.3
153.03914	10.5
155.01889	5.6
157.03447	3.9
161.02922	7.3
163.03894	1.7
166.08653	6.5
169.03452	4.2
171.05077	8.6
172.09668	1.2
173.02907	4.1
174.04523	1.6
175.04445	1.1
177.03961	5.0
179.01915	1.4
183.05023	4.3
184.09694	3.7
185.03011	3.8
187.04521	3.7
192.05580	6.8
195.05034	14.8
197.02983	15.6
201.00662	1.2
201.02385	1.1
201.05995	1.2
202.10786	10.8
203.01993	1.8
203.03987	2.9
211.06464	0.9
215.03976	7.5
220.04547	7.0
221.03009	10.0
221.04933	1.8
225.12152	0.8
229.76266	0.9
238.03340	1.9
238.05539	11.5
239.03987	15.6
243.13338	7.1
244.15277	1.6
245.05034	4.6
256.06689	6.5
257.05023	14.5
261.04831	1.3
261.14438	100.0
261.18030	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	261.0307
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
58.73947	0.1
67.09168	0.1
70.33834	0.1
82.99833	0.1
98.97595	1.8
99.97881	0.1
101.00880	0.7
116.98633	0.7
119.01915	1.2
134.99652	0.1
137.02859	0.2
145.15622	0.1
153.89511	0.1
158.99802	0.2
165.99687	0.2
170.64677	0.1
177.00961	2.3
179.61517	0.1
182.99879	0.1
201.00887	1.0
217.04135	0.6
219.02003	8.3
225.00847	1.8
227.99419	0.1
237.98779	0.4
243.01984	18.2
261.03055	100.0
263.03448	0.4
266.03802	0.1
271.53302	0.1
275.04654	0.4
279.00595	0.8
279.03433	0.1
284.04639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	3.0
57.07085	4.4
58.06604	10.1
62.76306	0.3
71.08627	3.5
74.06071	1.9
85.10165	1.2
88.07101	0.5
88.07631	14.3
91.27914	0.3
92.07120	10.9
97.75563	0.3
136.43065	0.3
137.29144	0.3
187.29330	0.3
206.43417	0.3
212.23730	64.1
233.45235	0.3
242.24796	4.9
243.15593	0.3
244.12341	0.3
260.25833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32474	0.2
51.83344	0.2
55.05520	0.2
55.89282	0.3
56.05049	2.7
57.07089	3.8
58.06612	9.0
63.13396	0.3
71.08638	2.5
74.06093	2.2
75.43927	0.3
75.78802	0.3
85.10186	1.2
88.07639	14.2
92.07124	10.0
102.68042	0.2
131.75972	0.3
132.55585	0.3
212.23746	56.9
216.27150	0.3
224.53908	0.3
242.24762	3.7
260.25854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22437	0.5
56.05049	5.8
57.07076	6.5
63.97313	0.5
71.08629	3.5
72.68362	0.5
74.06086	20.8
85.10171	1.2
88.07634	53.4
88.26878	0.5
95.93887	0.5
102.05540	5.8
116.07058	1.2
120.05869	0.5
120.06600	7.1
126.71266	0.6
131.14630	0.6
179.93040	0.5
192.32181	0.5
214.20029	0.7
214.21649	41.4
242.21164	5.1
260.22208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1972
Annotation	Lys Leu
Peak:m/z	Relative Intensity
55.05507	0.6
56.05048	0.8
56.20485	0.3
59.02350	0.3
60.08185	0.5
67.05527	0.4
72.08164	14.4
74.09722	0.7
84.05119	0.6
84.05637	27.2
84.08150	100.0
85.06542	0.6
85.45005	0.4
86.09713	7.5
101.10773	3.4
102.09232	0.4
111.58739	0.4
112.07563	0.5
129.10240	13.5
130.04973	0.6
130.08647	7.7
143.11823	5.3
147.07652	0.9
147.11293	9.6
161.09282	1.9
171.11287	3.1
181.86385	0.4
189.11890	0.4
197.16620	0.6
199.06326	0.4
224.13957	3.1
226.14342	0.7
237.36250	0.4
240.11446	0.4
242.15007	5.1
242.18839	0.5
243.17024	9.6
260.13202	0.7
260.16144	24.9
260.19781	28.9
266.03412	0.4
266.28195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1607
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
60.05645	0.8
61.76039	0.4
69.07080	0.7
70.06602	0.5
72.05653	3.3
72.08156	2.3
75.05605	2.2
76.89295	0.5
80.05021	3.9
81.07048	2.9
83.06123	1.0
84.04510	2.5
84.05639	22.0
84.08142	3.2
85.02930	0.6
85.06551	0.7
86.09716	20.9
88.03986	1.1
94.06567	2.6
95.08609	0.6
96.04494	4.5
98.06077	0.5
100.45471	0.4
102.06644	0.9
107.08575	0.5
112.07640	0.5
123.08086	1.9
129.10245	2.2
130.08658	1.8
134.04501	2.7
134.60341	0.4
135.08118	0.7
136.08817	0.5
136.11301	0.5
138.05502	0.5
143.01456	0.9
143.11818	13.2
147.07860	0.7
147.11279	2.0
153.09152	2.7
164.10698	3.2
165.75735	0.5
167.60590	0.4
171.03052	0.8
171.11322	3.8
182.11783	14.2
190.08745	0.5
200.12840	38.6
203.95036	0.4
208.09853	0.9
210.12430	2.5
218.13979	1.9
224.13986	0.9
228.13486	2.5
242.15060	10.2
243.13416	1.0
260.16080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1608
Annotation	Leu-Ala-Gly
Peak:m/z	Relative Intensity
53.04225	0.4
57.04557	0.5
61.05226	0.5
74.91065	0.4
76.39893	0.4
83.88036	0.5
84.05637	95.9
84.08143	1.1
86.09683	0.6
122.75543	0.4
134.12189	0.6
134.85870	0.5
145.50192	0.5
174.78407	0.5
224.13940	9.4
242.14993	21.0
260.16061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39023	0.7
55.05513	0.9
67.05500	1.0
70.06586	1.5
72.08141	4.6
72.84190	0.9
72.93790	6.6
84.08129	3.7
86.09702	1.3
90.94822	0.9
91.05460	1.9
97.07654	2.0
98.06045	1.8
98.63432	0.8
105.00075	1.3
114.10292	82.5
115.08668	4.4
119.04952	7.4
138.05524	0.9
146.06013	1.9
146.07103	1.4
147.04414	100.0
176.10683	2.1
178.97919	5.2
190.97906	3.2
214.08720	1.4
214.14276	1.3
216.11369	7.1
217.13364	100.0
218.11769	1.7
218.97397	67.2
236.98450	38.5
237.02473	1.1
260.00098	1.4
260.09372	3.5
260.13947	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39023	0.7
55.05513	0.9
67.05500	1.0
70.06586	1.5
72.08141	4.6
72.84190	0.9
72.93790	6.6
84.08129	3.7
86.09702	1.3
90.94822	0.9
91.05460	1.9
97.07654	2.0
98.06045	1.8
98.63432	0.8
105.00075	1.3
114.10292	82.5
115.08668	4.4
119.04952	7.4
138.05524	0.9
146.06013	1.9
146.07103	1.4
147.04414	100.0
176.10683	2.1
178.97919	5.2
190.97906	3.2
214.08720	1.4
214.14276	1.3
216.11369	7.1
217.13364	100.0
218.11769	1.7
218.97397	67.2
236.98450	38.5
237.02473	1.1
260.00098	1.4
260.09372	3.5
260.13947	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05504	3.1
57.07076	2.3
59.88960	1.8
67.05521	2.5
69.07074	23.6
69.27536	2.1
71.04997	25.4
81.07053	9.1
83.04980	3.7
83.08609	5.0
85.06557	22.1
91.05484	2.1
93.07043	8.3
95.08601	14.6
105.07033	18.8
107.08596	19.8
109.06526	8.7
109.10151	18.3
111.08078	13.6
119.08569	48.4
121.10117	10.1
123.11686	25.6
131.08571	9.7
133.10123	28.5
135.08018	18.4
135.11755	4.0
143.08556	3.4
145.10124	31.8
147.11684	18.0
157.10120	12.5
159.11658	28.1
161.13251	32.1
171.11655	16.9
173.13223	9.4
175.11229	2.9
175.14804	94.5
176.15617	3.0
177.12784	3.6
185.13292	15.4
187.14764	2.1
189.12769	3.7
189.16469	4.4
201.16345	23.4
203.14317	4.9
241.19482	17.9
248.11658	2.5
259.14493	3.1
259.20566	100.0
259.28036	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05505	3.5
57.07077	4.9
65.93693	3.2
67.05504	14.7
69.07068	22.0
71.08617	7.8
79.05505	7.0
81.07056	17.0
83.08640	6.9
85.05621	3.6
91.05489	21.0
93.07026	16.2
95.08613	17.4
99.08128	4.0
101.88303	3.3
105.07040	55.1
107.08610	8.7
109.10206	7.6
115.77668	3.4
117.07012	14.0
119.08575	18.8
121.10173	7.7
129.07048	8.3
131.08574	17.2
133.10127	14.6
135.11700	14.3
143.08586	14.0
145.10156	23.2
147.11760	28.9
149.13301	5.2
157.10138	14.3
158.34869	4.0
159.11699	3.9
161.13245	36.7
171.11676	16.2
173.09975	3.7
173.13283	16.4
174.09105	3.8
175.14783	32.9
185.13181	12.7
199.14777	6.2
215.18057	5.4
241.19534	35.1
259.14627	4.1
259.17892	7.4
259.20599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1694
Annotation	Linalyl benzoate
Peak:m/z	Relative Intensity
57.06865	2.0
57.07090	31.2
66.03965	2.0
70.79192	2.3
71.07764	1.9
89.43550	2.3
95.08678	2.5
115.07720	2.3
150.54251	2.1
161.09613	2.8
164.21161	2.2
175.11226	2.8
188.08308	14.3
203.10674	44.3
259.16931	100.0
264.91177	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	259.0969
Annotation	Peucedanin
Peak:m/z	Relative Intensity
55.01883	3.5
55.05508	0.7
57.03439	0.7
67.05509	2.0
69.03418	0.5
69.07072	11.4
71.04962	0.9
79.05504	10.7
81.07067	2.4
83.08623	0.7
85.06591	0.7
87.35744	0.5
89.03935	1.1
92.17802	0.8
93.07069	0.6
95.04967	0.5
95.08620	2.2
97.02901	0.7
97.06538	100.0
97.20918	0.6
97.27614	0.5
105.07022	3.8
106.07365	3.1
107.08557	0.8
109.10166	0.7
117.03395	3.5
119.04964	0.5
119.08598	0.8
133.02881	0.8
133.10123	0.6
135.04428	8.6
145.02856	8.0
145.10178	0.6
147.04507	0.7
149.13289	1.2
157.10098	1.1
159.04428	1.9
161.02351	7.6
163.03903	49.2
173.02345	27.9
175.03864	0.6
187.07495	0.6
194.97414	0.5
195.64207	0.5
215.07042	32.6
217.99130	0.7
241.08707	1.0
241.21736	0.8
259.09509	23.7
259.14359	1.1
259.20642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54682	0.7
58.70025	0.7
63.81816	0.7
69.77817	0.9
70.06583	4.0
71.04227	0.8
72.08162	9.1
75.12251	0.8
84.04494	2.0
84.05589	5.2
84.08152	10.1
85.02895	1.7
85.05289	1.4
85.05922	1.8
86.06010	1.2
86.09682	4.0
98.06046	1.3
100.02180	1.6
111.05575	33.0
112.07513	0.9
115.08652	0.9
116.62847	0.9
121.03979	2.1
125.06235	1.1
125.07108	10.7
129.10204	1.4
130.05022	1.1
131.01756	0.9
135.60739	0.8
137.02124	1.6
139.00060	1.2
139.04988	4.8
146.02631	4.6
153.06618	1.0
163.03864	5.2
164.04250	2.0
175.00920	1.1
177.05394	4.1
178.05727	1.3
181.06056	1.2
187.03902	1.9
187.07545	8.7
189.02448	1.1
198.03093	1.2
199.02138	14.8
199.07092	7.3
205.06021	1.6
216.04118	9.7
223.07150	1.0
231.02783	4.5
234.11143	1.0
241.03203	9.7
241.08025	1.2
241.13753	3.8
259.04150	100.0
259.09113	7.0
259.12735	3.8
259.14951	1.9
259.17453	2.9
259.24924	1.4
259.98407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52435	0.7
57.07089	10.3
58.06599	1.6
59.15327	0.7
62.06102	8.2
71.08633	5.9
80.63071	0.8
85.65650	0.7
101.26909	0.8
107.28474	0.8
120.63348	0.7
120.80875	0.8
165.84161	0.8
240.26799	7.9
258.27917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59340	14.1
72.55952	15.9
92.18500	18.8
97.02889	69.1
146.19841	14.5
151.96651	14.3
171.06256	32.1
172.06674	37.9
219.20351	19.3
235.38385	17.7
259.02185	100.0
259.13400	35.1
263.90387	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	258.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86703	0.3
54.21120	0.4
57.06829	0.5
57.07084	10.7
58.06590	1.8
59.77544	0.3
62.06102	8.7
62.27877	0.4
71.08642	6.2
79.52463	0.4
85.10185	3.5
97.54121	0.4
231.00014	0.4
240.26855	8.1
258.27924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64871	0.3
57.07085	8.1
58.06585	1.8
62.06101	8.5
71.08641	5.7
83.08610	0.3
83.20109	0.3
84.37950	0.4
85.10204	2.9
92.17647	0.4
134.66447	0.3
159.31636	0.4
159.97498	0.4
214.75345	0.4
220.78813	0.5
224.78592	0.4
230.86389	0.4
240.26888	8.3
258.27930	100.0
260.75299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2429
Annotation	Andrachamine
Peak:m/z	Relative Intensity
52.01442	0.9
53.73643	1.0
57.07085	17.6
58.06609	3.9
62.05837	1.1
62.06099	16.4
71.08640	12.0
72.04522	14.9
85.10172	4.6
126.65250	1.0
131.85873	1.0
203.26437	1.2
212.23770	12.2
230.24799	96.2
240.23210	36.0
258.24286	100.0
276.41135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05319	0.5
58.80508	0.6
58.81759	0.5
62.16564	0.5
62.79989	0.5
70.06599	1.5
72.08163	13.0
75.74580	0.6
87.05585	1.0
97.10179	0.8
103.05444	4.5
109.10093	0.7
128.11847	40.7
129.10237	36.8
130.06491	0.9
131.04936	43.5
144.08095	29.7
162.09091	2.4
163.03879	2.7
201.13878	100.0
202.12292	7.2
216.97981	0.7
231.49031	0.6
234.99081	0.9
241.12965	0.6
258.16016	49.5
263.04861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
56.05037	1.4
59.50340	0.5
60.05651	1.4
66.39113	0.6
69.07082	1.4
70.02968	4.3
70.06608	1.2
72.04491	0.5
72.08157	3.3
72.36064	0.5
79.05469	0.6
81.04562	0.7
84.04523	13.0
84.05632	55.2
84.08147	52.9
85.05981	0.7
85.06437	2.4
86.06091	0.7
86.09718	3.1
88.03997	11.8
92.18385	0.9
93.07052	0.6
96.04530	0.7
96.05630	0.8
97.02895	0.7
101.10805	0.8
104.10756	19.0
116.07128	0.9
117.06992	0.7
119.27081	0.6
123.08642	1.4
125.00024	4.0
125.06019	2.4
129.10243	100.0
130.05000	6.0
131.01852	4.8
134.09721	2.5
135.08064	0.6
140.04558	0.6
143.07056	3.0
148.08746	3.6
150.09148	0.8
152.07149	0.7
153.34906	0.7
158.05582	6.9
163.03880	0.6
163.07623	3.9
168.45457	0.7
171.06354	2.3
176.08189	4.9
176.11810	8.8
178.13445	1.3
178.14917	0.7
182.09372	0.8
184.07448	2.5
186.06186	1.1
186.08757	0.8
194.12943	3.3
195.11362	2.9
200.10428	0.7
204.11452	2.3
212.09229	2.1
214.05548	4.9
222.12363	7.7
234.99091	3.6
239.77602	0.6
240.13431	56.2
241.12027	0.6
258.00668	1.2
258.11179	3.9
258.14575	32.1
258.19110	1.1
258.21838	1.3
268.91730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91122	0.5
57.04555	0.7
60.05653	0.5
60.77971	0.5
84.05637	100.0
85.06413	2.8
91.78780	0.6
93.07052	1.0
96.05607	1.1
104.10751	2.5
110.07276	0.5
112.08749	0.7
113.52174	0.5
145.03430	0.6
148.14766	0.5
155.06775	4.5
171.06276	15.7
176.11771	3.6
178.13405	2.6
194.12962	2.3
222.12384	6.5
240.13428	69.4
258.14706	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	258.1449
Annotation	H-ALA-ALA-PRO-OH
Peak:m/z	Relative Intensity
55.05508	0.9
56.33785	0.6
60.05638	2.9
62.57093	0.7
67.05506	0.8
68.26083	0.6
69.07030	1.0
69.25401	0.6
70.06584	3.0
72.08150	3.7
74.65871	0.6
76.05122	1.6
79.05467	3.1
80.05017	3.1
81.07048	3.2
82.06599	1.3
84.04514	0.9
84.05630	36.8
86.09705	1.2
91.05483	1.1
93.07034	3.8
94.06571	1.3
95.08598	4.5
96.05627	10.3
97.06400	5.3
98.03545	0.9
98.06056	3.3
100.05116	6.0
104.10751	1.1
107.08547	0.8
108.08115	1.2
110.05999	1.0
110.07172	4.3
111.08073	4.7
119.08566	3.2
121.10169	0.9
122.07146	4.4
122.09626	1.0
123.04350	1.4
123.08028	1.2
124.08739	2.5
126.05511	3.6
128.07057	1.3
134.07129	3.3
134.09656	6.4
135.07919	0.8
136.11148	0.7
137.02319	1.0
141.09119	1.5
144.06544	1.1
147.08022	1.2
152.08191	16.7
154.06123	0.9
165.09149	1.0
168.07721	1.4
176.11867	4.8
178.13432	4.7
180.10161	1.6
194.12906	2.9
196.14511	1.7
204.11320	9.0
214.05608	0.7
222.12410	9.4
240.10904	1.3
240.11638	1.4
240.13420	71.1
258.14496	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47981	0.3
53.24971	0.3
55.01872	2.2
57.38470	0.3
60.05654	21.2
61.28222	0.3
63.63128	0.4
67.05486	0.3
69.52805	0.3
70.06595	0.4
71.05006	0.5
72.08157	0.9
84.04564	0.4
84.05631	19.5
84.08136	0.7
85.05946	1.3
85.06402	0.5
85.35150	0.3
92.18444	0.7
93.07052	1.8
95.04957	2.8
95.08580	0.4
99.55664	0.3
109.10154	1.8
110.07146	1.7
112.05071	0.5
122.07137	1.6
124.08728	1.5
136.11224	0.5
137.09625	23.3
148.99190	0.4
150.57790	0.4
154.12248	1.8
158.05522	0.7
163.07538	0.4
166.05026	0.5
176.11803	4.7
182.09300	0.4
183.11287	0.4
194.12900	10.5
196.14444	4.7
212.05719	0.5
212.13910	3.6
222.12407	0.7
226.53409	0.4
240.13414	27.7
258.14505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74461	0.4
58.06598	0.5
67.22083	0.4
72.08162	0.6
84.05631	34.6
86.09769	0.6
97.40681	0.6
104.10741	3.4
119.01855	0.5
120.02016	0.7
122.70156	0.5
126.06652	0.7
143.39549	0.6
145.03477	0.6
155.05794	0.6
155.06786	23.0
171.06276	100.0
172.96898	0.6
177.76733	0.6
178.13460	0.9
204.27406	0.5
221.03242	0.5
222.12389	2.3
240.13402	23.4
257.28659	0.5
258.12903	45.1
258.98975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1451
Annotation	H-ALA-ALA-PRO-OH
Peak:m/z	Relative Intensity
55.05528	0.5
56.53586	0.4
57.04568	0.5
60.05663	0.5
69.03426	0.4
69.07095	0.5
70.06596	4.8
72.08167	6.8
84.05637	100.0
84.08134	3.0
85.06413	3.0
86.09710	0.8
91.05488	0.5
93.07041	0.6
96.04503	0.6
96.05629	2.0
97.25600	0.4
98.09676	0.4
98.97630	0.4
100.07607	0.4
102.22160	0.5
104.10738	4.7
110.07192	1.9
110.09705	0.8
112.05097	14.7
115.08708	2.4
116.07100	9.2
120.45403	0.4
124.99987	0.5
125.01781	0.4
126.06650	14.8
134.09663	0.7
136.11227	0.6
143.08209	0.6
145.03510	0.6
148.08727	0.5
155.06816	1.6
171.06247	4.7
172.09752	0.8
176.11850	2.8
178.13434	2.3
180.10204	0.5
187.10805	0.7
194.12932	2.5
212.14014	2.4
222.12410	6.9
234.99124	1.7
240.13434	70.7
257.60074	0.5
258.00681	0.5
258.11227	1.0
258.14590	26.6
258.17819	0.8
258.18353	0.8
279.86530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98495	0.3
53.54613	0.3
57.03445	0.7
58.06614	0.5
73.02888	0.4
77.83100	0.3
84.05633	0.6
85.02898	0.9
86.09740	0.5
88.03996	2.0
92.18320	0.7
94.31668	0.4
104.10751	9.8
119.01910	0.7
124.03980	2.9
125.00032	0.4
125.04273	0.7
126.04395	0.9
132.95816	0.4
145.03421	0.9
151.97121	0.4
155.06801	23.6
161.02882	0.5
168.95766	0.4
171.06282	100.0
173.02853	0.5
178.19768	0.4
212.13922	2.4
217.01990	0.5
225.30113	0.4
233.05060	0.5
234.98997	0.7
237.94547	0.4
258.13123	50.6
268.05862	0.4
270.91653	0.4
276.12808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1137
Annotation	6-Methoxyflindersine
Peak:m/z	Relative Intensity
54.59925	2.6
56.20127	3.1
63.56108	2.9
73.61036	3.2
79.56271	3.4
81.07043	4.1
82.07358	3.1
95.03475	100.0
96.08964	5.2
98.06067	2.9
100.07610	5.8
106.74709	3.4
115.76938	3.2
135.60887	2.9
136.07367	5.3
137.08133	39.5
141.09122	3.8
142.09483	6.0
143.24942	2.9
150.08926	18.2
152.06880	6.9
163.59447	3.0
178.11992	4.1
179.12828	15.1
194.11522	3.4
258.11435	48.0
258.13901	4.8
258.15161	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	258.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28759	0.3
58.06602	0.4
60.05656	0.8
60.08171	4.9
71.07367	0.6
74.54800	0.3
83.20496	0.4
84.05637	44.4
85.02926	0.7
85.06403	0.9
86.09708	9.1
96.05629	0.8
97.02903	0.5
98.98469	0.5
104.10754	100.0
110.07169	0.7
112.05083	4.9
125.00008	15.3
127.02439	0.4
145.03479	2.8
155.06795	3.7
165.49997	0.4
171.06284	17.8
176.11836	1.0
177.02338	0.4
178.13420	0.9
183.07515	0.4
184.07339	9.9
184.51155	0.4
189.02440	0.5
190.98677	0.7
194.11201	0.5
194.12956	1.7
212.14014	3.4
217.01979	0.9
222.12299	3.2
234.98996	0.5
240.13435	29.3
258.11029	19.4
258.14478	18.4
268.45139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13654	1.5
59.08812	1.6
59.59959	1.6
59.61749	1.6
60.87690	1.6
63.08472	1.6
70.06580	3.2
72.08167	13.1
74.92498	1.6
77.09540	1.6
77.82392	1.4
82.91337	1.7
93.31761	1.9
99.05574	2.2
107.04964	100.0
131.11995	1.7
133.06499	31.2
159.04309	2.2
161.05978	72.9
161.07321	2.8
163.03909	2.0
177.05467	21.0
187.03958	4.2
195.06549	58.3
205.04939	68.8
223.06053	27.9
241.07138	4.0
258.17029	18.3
258.21912	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	258.1103
Annotation	sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct 
Peak:m/z	Relative Intensity
52.53889	0.3
52.74387	0.4
57.07681	0.4
60.08165	4.3
71.07371	0.4
75.59528	0.4
86.09706	11.1
87.99155	0.4
96.05697	0.4
101.87446	0.5
104.10751	100.0
110.62271	0.4
119.51562	0.5
120.96117	0.5
123.69564	0.5
124.99175	0.6
125.00008	14.5
132.43321	0.5
141.08907	0.4
145.03447	0.6
155.06743	1.9
171.06285	7.2
184.07346	10.2
192.63882	0.4
258.10968	23.1
258.13229	2.6
266.32755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2113
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
55.05516	13.2
55.26629	1.5
57.07090	100.0
65.53250	1.5
67.05514	22.4
69.06701	1.7
69.07074	36.1
71.04992	6.4
71.08640	3.1
79.05507	11.5
81.07073	35.5
83.08630	17.0
85.06061	3.2
85.06558	82.2
91.05493	3.1
93.07071	12.1
95.08611	32.1
97.06541	7.8
97.10182	18.1
99.08100	3.1
105.07043	2.8
107.08603	3.5
109.10162	21.0
111.11738	6.7
113.09663	8.7
119.08604	3.0
121.10136	25.5
123.11705	19.8
125.09698	1.8
131.08554	1.7
133.10120	11.0
135.11737	5.5
137.09656	2.1
137.13275	11.1
139.11221	5.3
144.02364	1.8
147.11696	9.2
151.11177	3.5
151.14737	2.6
154.88972	1.7
161.13263	2.7
162.03400	1.9
165.12845	2.2
178.57866	1.5
179.17943	1.6
193.19556	3.5
203.17950	17.3
211.20671	8.8
221.19054	6.5
233.67009	1.4
239.20084	3.5
257.19382	4.5
257.21167	55.1
257.23425	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	257.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89738	0.2
64.08108	0.2
69.07074	6.1
79.05519	0.2
90.35604	0.3
95.08604	0.5
132.08087	2.3
144.08087	3.2
146.09647	1.2
157.08824	1.0
158.09636	4.2
168.08113	1.4
169.08861	0.5
170.09659	9.3
171.10413	0.4
182.09628	3.6
183.10448	26.7
184.11240	15.3
184.12920	0.4
196.11217	2.8
197.12003	3.7
198.12846	0.3
200.14345	4.1
211.13530	2.7
214.15894	2.5
226.15912	100.0
257.20193	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	257.201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75075	0.4
64.89228	0.4
67.98444	0.4
68.01319	0.4
69.38421	0.4
70.02392	0.4
82.97540	0.5
109.10118	0.6
120.08138	0.5
130.06566	0.7
132.08055	0.4
142.11330	0.4
144.08090	36.4
145.08914	3.1
158.09659	4.2
170.09647	36.2
171.10439	10.2
184.11182	0.7
187.12244	2.0
188.13098	30.4
189.13924	0.5
214.15868	0.9
240.17471	2.1
242.17786	0.5
257.20120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23177	0.2
59.93325	0.3
67.05508	0.4
70.00089	0.2
81.07059	0.4
87.94696	0.2
100.21542	0.2
109.10168	0.4
110.09673	0.3
113.34399	0.3
114.02242	0.2
126.12784	0.3
130.06488	0.4
132.08099	0.4
143.04799	0.3
144.08093	34.8
145.08893	3.0
146.09660	0.4
158.09648	3.5
170.09651	32.6
171.10416	8.8
172.09946	0.4
173.10736	1.1
184.11308	1.0
187.12386	2.5
188.13098	32.6
189.13872	1.4
200.14391	0.4
207.10822	0.3
212.14398	0.6
214.15916	0.4
228.17506	0.3
240.17419	3.1
242.17769	0.5
257.20129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2011
Annotation	N-Methyl-lycodine
Peak:m/z	Relative Intensity
57.00937	0.3
69.07031	0.4
81.07049	0.5
83.08616	0.5
95.08649	0.5
120.08055	0.5
130.06514	0.8
132.08063	0.5
134.09688	0.4
144.08092	35.3
145.08873	3.1
146.09627	0.4
158.09618	4.1
170.09650	36.5
171.10439	8.9
172.09979	0.5
173.10818	0.6
184.11179	0.7
187.12331	2.4
188.13094	33.8
189.13879	0.7
208.48624	0.4
214.15894	0.5
228.17519	0.5
240.17459	2.3
256.57956	0.5
257.20120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69045	0.4
52.33673	0.4
53.21998	0.4
54.17173	0.4
54.98824	0.4
70.06586	0.8
72.04512	2.1
72.08161	5.4
84.08155	2.1
92.18452	0.7
98.06051	0.6
102.09189	0.5
113.10779	21.8
114.09176	62.0
115.08042	0.6
115.08707	9.1
125.18541	0.6
131.10849	0.8
131.11816	14.7
138.12741	2.1
154.77315	0.6
156.11333	25.6
167.90875	0.5
173.13989	21.5
197.16545	4.3
215.17564	9.8
235.86673	0.5
239.18799	0.6
240.17027	2.3
251.46013	0.6
257.19730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70198	0.2
55.87599	0.2
60.04501	0.2
60.38364	0.2
72.04514	1.1
72.08152	2.0
74.18927	0.2
84.05653	3.0
84.08129	0.4
85.05959	1.0
85.06451	0.2
89.94135	0.2
92.22623	0.2
100.11491	0.2
101.11389	0.2
114.09160	4.8
126.10288	1.1
130.41170	0.2
131.11787	0.2
143.11757	0.3
144.10278	0.3
144.11324	8.0
198.16014	4.5
212.85912	0.2
215.18718	0.3
239.12036	0.2
239.18546	0.9
257.13669	4.6
257.19717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
70.06574	0.3
70.16294	0.2
70.16637	0.2
72.04505	1.2
72.08156	5.2
84.05633	2.5
84.08134	0.4
85.05334	0.2
85.05936	0.5
85.06477	0.2
86.73810	0.2
98.06049	0.4
112.89361	0.2
113.10754	0.3
114.09176	6.1
122.26173	0.2
126.10272	1.3
128.82944	0.2
131.11781	0.4
143.11804	0.3
144.11324	9.1
156.11375	0.2
196.14467	0.8
198.16023	5.6
199.14624	0.2
239.12157	0.3
239.18649	1.1
257.13223	3.4
257.19720	100.0
271.50055	0.2
278.68787	0.2
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
50.82997	1.8
59.14506	2.0
67.05550	2.3
67.37843	2.0
69.07066	2.8
79.05502	4.1
81.07042	4.4
91.05483	2.8
93.07056	9.2
95.08597	11.9
105.07013	5.2
107.08630	16.9
109.06478	3.3
109.10161	12.2
111.08074	3.4
117.07014	4.6
119.08569	12.1
121.10146	95.1
129.06987	5.3
131.08562	16.1
133.10170	5.6
135.08080	26.1
137.09642	3.8
139.01790	3.1
143.08582	14.5
144.02386	5.0
145.10115	15.5
149.09634	4.6
157.10112	16.4
159.11702	12.3
162.03403	4.2
169.10167	5.1
171.11707	12.3
173.13234	15.6
183.11726	9.8
185.13239	3.0
192.99391	2.5
197.13260	9.6
199.14819	42.6
201.12703	2.8
213.16403	11.8
215.18005	3.2
239.17906	13.5
257.18973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05512	2.4
56.09924	2.1
57.03438	2.3
67.05496	9.9
68.87289	2.3
69.07076	3.2
79.05495	4.6
81.07050	11.6
91.05463	4.1
93.07037	14.8
95.08601	18.9
97.06477	2.2
99.31853	2.2
105.07029	14.9
107.08612	17.5
107.50542	2.4
109.06518	8.9
109.10143	9.5
111.08083	3.3
111.11693	2.3
117.07044	3.7
119.08571	17.9
121.10144	86.6
121.67279	2.3
123.08058	2.6
123.11685	2.6
129.06998	3.2
131.08578	13.1
133.10149	3.2
135.08054	24.3
135.11694	4.3
137.09584	3.7
139.01811	3.9
143.08589	12.2
144.02415	2.5
145.10120	16.1
147.11707	5.3
149.09654	3.2
157.10110	18.7
159.11726	16.6
165.12782	3.2
169.10112	4.6
171.11731	8.5
173.13237	18.0
183.11740	10.6
184.12561	2.3
185.13304	2.8
187.11180	4.3
189.12794	3.4
197.13277	8.9
199.14799	36.7
201.12796	8.3
211.14925	2.2
213.16396	12.6
215.18047	4.4
239.17911	13.6
257.16959	3.8
257.19025	100.0
277.16278	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
66.06209	3.1
67.05498	6.3
69.07087	3.5
81.07076	4.9
88.07610	7.9
89.07951	3.4
91.05478	4.9
93.07038	5.6
95.08612	6.9
98.31824	3.2
105.07034	6.4
107.08588	8.0
117.07011	7.3
119.08587	4.9
121.10151	3.3
126.27013	3.6
131.08557	26.1
133.06520	5.2
133.10118	6.7
143.08600	3.9
144.02362	4.1
145.06456	5.9
145.10121	20.6
147.08041	6.0
147.11664	5.2
155.08549	4.0
157.10167	8.0
159.08054	14.5
159.11707	13.9
159.42386	3.6
161.09625	8.0
169.10191	4.9
171.11708	5.0
173.09657	6.6
175.11194	7.0
182.60660	3.5
183.11714	3.7
187.11163	6.3
193.59091	3.9
199.14806	3.2
201.12761	6.9
239.17950	5.8
257.18997	100.0
257.26678	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	257.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44700	0.6
54.76306	0.8
55.01871	0.8
55.05524	9.2
58.68861	0.8
65.34772	0.7
69.03429	0.7
70.06586	2.9
72.08156	100.0
80.04494	0.7
84.04528	0.7
84.05616	4.0
85.05959	1.2
89.10801	15.1
98.06055	25.4
104.90778	0.7
108.94684	0.7
114.10268	1.3
115.08688	8.8
123.04408	1.6
130.28047	0.9
131.12836	0.8
132.72716	0.8
137.06015	1.3
149.05975	3.4
158.09787	1.0
161.05907	0.9
169.03929	1.4
177.05486	1.1
180.13747	0.9
181.06374	0.9
189.05435	5.8
196.82333	0.8
213.08905	1.0
219.08023	1.3
223.07481	3.2
233.05956	1.4
237.09248	1.3
240.11232	8.3
247.07582	1.6
248.62564	11.3
250.06104	1.1
251.06912	9.8
257.09735	0.8
257.13361	7.2
257.19778	4.1
262.70966	0.9
265.08585	5.2
277.04977	1.7
278.05768	1.8
279.06491	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	257.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44700	0.6
54.76306	0.8
55.01871	0.8
55.05524	9.2
58.68861	0.8
65.34772	0.7
69.03429	0.7
70.06586	2.9
72.08156	100.0
80.04494	0.7
84.04528	0.7
84.05616	4.0
85.05959	1.2
89.10801	15.1
98.06055	25.4
104.90778	0.7
108.94684	0.7
114.10268	1.3
115.08688	8.8
123.04408	1.6
130.28047	0.9
131.12836	0.8
132.72716	0.8
137.06015	1.3
149.05975	3.4
158.09787	1.0
161.05907	0.9
169.03929	1.4
177.05486	1.1
180.13747	0.9
181.06374	0.9
189.05435	5.8
196.82333	0.8
213.08905	1.0
219.08023	1.3
223.07481	3.2
233.05956	1.4
237.09248	1.3
240.11232	8.3
247.07582	1.6
248.62564	11.3
250.06104	1.1
251.06912	9.8
257.09735	0.8
257.13361	7.2
257.19778	4.1
262.70966	0.9
265.08585	5.2
277.04977	1.7
278.05768	1.8
279.06491	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	257.1323
Annotation	7,12-Dimethylbenz[a]anthracene
Peak:m/z	Relative Intensity
50.45448	0.3
52.14587	0.3
52.78021	0.3
63.83324	0.3
66.00356	0.3
69.04977	0.4
72.08145	0.5
77.67776	0.3
84.05633	62.8
85.05332	7.8
85.05958	23.9
85.06461	0.8
86.06290	0.4
98.06079	0.4
107.90271	0.4
115.23351	0.4
138.05438	0.5
151.09552	1.2
154.08711	0.5
155.09035	0.5
169.10585	0.6
196.09882	0.6
196.11574	0.5
197.10197	6.1
209.11050	0.5
211.11581	0.4
239.12213	7.6
257.13318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03977	0.9
67.05487	1.1
81.07054	1.8
82.02952	0.9
85.05458	0.8
88.34349	0.7
92.05000	3.3
95.08601	3.4
101.91780	0.8
108.83936	0.8
117.31938	0.8
120.04446	5.0
122.06000	3.4
136.07567	1.1
139.01801	1.8
142.98164	0.8
144.02371	2.0
160.07573	3.7
162.03514	1.0
168.08092	1.0
168.29094	0.9
169.08839	1.9
171.68387	0.9
183.09073	1.3
184.07602	1.5
184.11169	6.9
184.91162	0.8
186.11473	3.8
186.12898	0.9
187.08612	7.4
192.99162	0.9
194.01497	0.9
197.08359	4.2
197.13297	0.9
198.09195	1.5
199.08511	1.4
200.09375	8.5
201.10130	2.0
201.13835	15.2
201.16737	0.9
211.08676	1.3
212.10704	14.7
213.06493	4.3
213.10136	1.8
214.10704	6.5
227.08144	4.4
228.08894	14.3
229.09859	16.0
229.13332	68.0
239.11736	1.1
240.10223	1.8
241.09668	5.0
242.10522	12.6
257.12839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1286
Annotation	Albonoursin
Peak:m/z	Relative Intensity
52.20773	1.3
55.05501	2.6
57.03437	2.7
61.55928	1.5
63.97306	1.8
64.35912	1.8
67.05505	8.4
69.07056	4.1
78.01115	1.6
81.07060	12.7
83.08633	2.4
86.75342	1.6
92.02892	1.9
92.05045	2.3
93.07103	1.7
95.08614	21.4
109.10162	2.0
119.05042	1.5
120.04441	3.7
123.11717	2.0
130.06606	2.2
140.27686	1.6
144.02356	3.5
144.08102	1.8
145.04666	1.6
147.11629	1.6
162.03392	2.8
165.12714	1.6
170.09665	1.9
183.09314	2.3
184.11234	11.6
186.11476	1.8
197.08362	10.6
200.09438	15.9
201.10207	2.0
201.13840	10.8
211.08640	3.6
212.10721	17.1
213.06581	6.5
213.10207	2.2
214.11087	9.7
224.09567	2.2
227.08177	7.9
228.08859	31.0
229.09785	26.6
229.13362	55.3
239.11713	2.7
240.10121	3.7
241.09659	12.1
242.08191	3.2
242.10503	50.8
245.14781	1.9
257.12863	100.0
257.17361	9.9
257.19955	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	257.081
Annotation	Aloe emodin anthrone
Peak:m/z	Relative Intensity
50.32485	0.8
51.50409	0.7
65.03950	0.9
75.07830	0.8
80.24844	0.7
85.20496	0.7
91.05486	82.5
92.42175	0.9
95.04964	1.3
107.04972	5.9
109.91164	0.9
119.04945	81.0
120.05698	6.0
121.02853	2.0
123.22632	1.0
126.35005	0.7
145.02850	1.0
152.06186	2.0
153.06984	2.0
155.08517	1.8
160.56981	0.9
163.03908	11.7
165.07001	11.9
167.08603	7.4
177.06990	5.0
183.08052	7.2
193.06419	6.8
195.08080	6.5
197.05925	1.1
198.06825	0.9
211.07500	8.8
212.08424	1.3
213.09114	4.8
221.06023	6.5
239.07031	100.0
257.08075	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	257.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	5.5
58.58293	5.4
71.96840	4.7
72.08160	48.1
84.04494	7.2
84.05633	43.4
85.05960	26.0
93.03403	11.3
95.04961	20.5
101.00873	53.3
119.01926	100.0
121.02869	59.4
124.03954	21.2
125.04276	27.6
125.07125	48.7
137.02979	9.6
139.03874	10.0
139.12253	6.0
169.09727	10.7
193.03334	9.3
195.04988	10.2
197.02931	26.0
203.01936	23.5
211.04506	12.4
215.04164	14.5
221.02841	39.8
239.04062	21.0
240.17033	40.6
247.88037	5.8
257.05051	78.3
257.13242	59.7
257.19736	40.9
275.06152	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	256.6672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43410	1.2
64.06780	1.2
67.02089	1.2
88.82982	1.2
130.06491	2.6
141.50000	1.2
144.08076	41.2
145.08871	100.0
147.25740	1.5
158.09650	5.3
162.03473	1.5
170.09639	88.2
171.10411	17.5
184.11235	21.5
187.12311	1.8
198.12785	5.9
199.13704	2.8
201.13887	2.7
202.14636	16.5
242.11642	1.6
256.66730	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	256.2636
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
52.49797	0.9
57.07063	7.3
61.67067	0.8
71.08624	2.0
74.06084	3.7
88.07639	14.0
102.09162	6.6
116.10708	1.8
120.09117	1.0
156.06721	1.1
191.97256	1.2
202.43161	1.1
216.96648	1.1
256.26321	100.0
270.83963	1.2
275.29007	1.1
277.07971	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61475	0.2
57.06858	0.2
57.07086	3.2
70.06580	1.9
71.08620	1.7
77.79844	0.2
79.18496	0.3
85.10184	0.4
88.07642	9.7
102.09166	0.5
104.49100	0.2
132.95830	0.6
134.13312	0.3
157.81657	0.3
171.37080	0.3
180.40288	0.3
191.97185	0.6
256.26355	100.0
275.94269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2637
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
54.53080	0.2
57.07091	2.5
58.76269	0.2
65.34198	0.2
69.77052	0.2
70.06590	2.4
71.08614	1.5
71.32324	0.2
75.17759	0.2
85.10196	0.6
88.07105	0.4
88.07635	10.1
102.09158	0.6
125.40960	0.2
191.97183	0.5
256.26352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
57.07925	0.6
62.67866	0.6
67.05501	1.1
69.04588	0.7
69.07073	1.3
70.06596	5.5
71.06106	3.1
79.05460	0.7
79.51186	0.6
80.05034	0.9
81.07066	1.2
84.05635	64.1
90.14780	0.6
93.07037	3.2
95.08605	3.2
96.04472	0.8
96.05621	16.2
98.07191	12.1
105.06954	0.8
108.08099	1.0
109.10141	3.6
110.07140	1.5
114.06657	33.1
121.10134	4.8
122.06118	0.9
122.07076	0.8
124.08703	1.1
132.95844	3.1
136.07712	0.7
136.08691	4.7
137.09590	3.0
148.11096	0.9
149.09581	5.6
150.12778	4.8
150.96851	0.8
157.08850	3.0
160.11214	1.4
170.11971	0.7
178.01291	0.8
178.12216	7.4
182.09584	1.2
183.10434	1.7
191.97179	4.8
192.14969	12.9
195.10341	1.3
196.13290	1.0
210.12766	1.7
220.14449	10.9
226.15468	6.9
238.11945	1.0
238.15503	92.7
256.13464	7.3
256.16544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77750	0.4
60.05642	0.7
64.63010	0.4
69.07049	0.5
70.06598	0.5
72.08129	2.0
75.97955	0.4
78.18610	0.4
84.05634	64.6
85.06413	4.4
91.50161	0.4
92.18393	0.7
93.07018	0.5
95.08616	7.0
96.05611	2.2
104.10704	0.5
108.05511	0.5
110.07188	6.9
122.07128	0.6
138.12720	0.6
168.07658	0.8
178.13409	8.2
180.14966	0.9
181.25356	0.5
188.11865	0.7
206.12886	1.9
215.82594	0.5
220.10635	0.4
224.13939	100.0
238.11829	0.5
238.34758	0.5
256.12881	3.1
256.16553	8.1
256.19080	1.9
278.56290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28074	2.0
55.05508	11.1
59.04870	24.9
60.05645	3.8
61.07706	2.1
62.47008	2.3
63.31536	2.2
66.47803	2.1
70.06593	44.5
70.97495	2.4
72.08165	54.3
73.06419	22.5
82.04215	16.7
84.05624	4.7
86.07196	28.1
87.07981	62.5
93.16507	2.3
95.07243	2.4
97.07642	3.2
98.06055	3.5
100.08736	16.3
101.09538	2.4
103.05468	13.3
110.06039	2.9
111.06835	8.4
112.08722	14.9
114.10316	30.8
115.08707	13.4
131.04938	100.0
131.05945	3.2
131.12935	11.2
131.14444	2.7
138.09163	4.7
140.08200	3.2
145.02843	3.7
151.12306	18.9
152.07100	2.8
153.11485	28.7
157.10832	17.0
163.03894	51.7
180.11324	5.3
191.97139	3.4
195.13728	3.0
202.12254	32.8
212.16324	46.4
234.11290	10.8
247.64130	20.7
256.12192	5.1
256.15341	54.8
256.26196	3.3
269.62628	2.5
276.13474	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	256.1333
Annotation	Carbazomycin A
Peak:m/z	Relative Intensity
50.91221	1.9
57.41696	1.7
59.96311	2.1
73.67979	1.7
82.49759	2.0
84.05602	2.3
86.47130	2.0
87.07305	1.7
89.07721	2.3
120.50007	2.1
123.04381	2.8
132.95844	14.9
150.96875	3.8
157.08861	50.7
170.09641	2.3
182.09695	12.2
183.10405	20.5
191.97195	10.1
195.10460	27.2
196.11134	3.3
197.12033	3.9
209.98299	3.2
210.12767	46.1
211.13551	3.5
212.14400	3.2
256.13330	100.0
256.16165	3.3
256.26407	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	256.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35566	0.7
62.54711	0.7
97.98919	0.9
98.59401	0.7
117.68175	0.7
118.06498	0.8
132.95859	1.4
144.08105	3.5
150.96913	1.9
157.08876	45.9
158.09669	7.3
167.07417	0.8
168.08046	3.5
170.09634	5.8
175.09865	1.2
181.08867	1.6
182.09685	12.1
183.10449	24.5
183.11967	0.9
191.97250	1.6
195.10449	18.1
196.11197	6.8
196.16956	1.2
209.05925	1.1
210.12766	26.2
211.13570	5.3
212.10727	1.0
212.14401	3.6
227.09546	1.3
238.12337	3.3
256.04614	1.9
256.13339	100.0
256.26422	0.9
272.54593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1335
Annotation	Carbazomycin A
Peak:m/z	Relative Intensity
50.12967	0.5
51.91879	0.5
54.22096	0.7
65.94814	0.6
94.57844	0.7
120.08121	0.6
132.95822	2.9
144.08069	3.4
145.08835	0.8
150.96887	1.0
156.08061	0.7
157.08876	51.2
158.09647	6.6
167.07327	1.2
168.08101	2.7
170.09593	4.8
171.10248	0.7
181.08878	3.7
182.09677	14.6
183.10437	31.1
184.11209	1.2
191.97174	1.1
195.10448	17.1
196.11189	7.2
197.12088	0.8
210.05624	0.9
210.12794	28.8
211.13568	4.1
212.10771	1.2
212.14304	3.8
221.74329	0.9
223.09959	1.5
227.09402	3.5
238.12274	3.4
256.13318	100.0
269.09503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02967	0.3
57.04560	0.4
60.05661	0.5
75.74445	0.4
84.05634	93.3
102.70206	0.4
137.96492	0.4
182.09280	1.5
210.12386	5.5
212.13957	0.5
238.11880	2.5
256.12915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50687	0.6
71.67680	0.7
76.11364	0.7
76.54371	0.6
89.36320	0.6
95.09531	0.6
117.56818	0.6
132.95848	3.7
144.08066	4.9
150.96945	1.5
156.08102	0.9
157.08876	45.6
158.09636	6.7
167.07317	1.6
168.08018	2.6
170.09691	5.4
171.10396	1.0
181.08887	3.2
182.09660	15.5
183.10445	25.6
184.11234	0.9
191.97118	3.1
194.09694	0.9
195.10449	16.8
196.11148	5.9
197.12022	1.1
210.12787	25.2
210.14793	0.9
211.13557	4.6
212.10594	1.2
212.14326	1.2
223.09918	1.0
224.83807	0.9
226.08565	0.7
227.09418	3.4
228.10213	1.1
238.12354	5.7
256.13321	100.0
256.26370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1291
Annotation	HC Blue No.1
Peak:m/z	Relative Intensity
53.98546	0.4
57.04565	0.6
60.70121	0.5
66.38849	0.5
72.08159	2.1
73.08510	1.0
74.89604	0.5
81.20317	0.5
84.05634	77.5
85.05344	0.8
85.05951	2.7
107.08622	0.6
112.60393	0.7
120.34736	0.5
138.05537	0.7
150.09204	1.3
154.08606	1.2
168.10161	0.7
196.09795	7.1
198.93692	0.6
238.11859	7.6
239.13733	2.9
256.12985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.3
67.91035	0.2
72.08147	0.9
92.18437	0.2
110.08385	0.3
129.74802	0.2
137.05971	2.2
149.00566	0.9
154.96147	0.3
167.01595	0.3
171.00972	0.2
171.96458	6.3
172.97270	4.6
182.52437	0.2
182.99327	0.2
191.97179	0.2
199.98389	2.6
211.98112	0.2
220.09511	0.2
227.00749	2.3
228.01476	8.5
233.01071	0.8
256.04602	100.0
266.60004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0463
Annotation	5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
56.05026	0.3
67.91035	0.2
72.08147	0.9
92.18437	0.2
110.08385	0.3
129.74802	0.2
137.05971	2.2
149.00566	0.9
154.96147	0.3
167.01595	0.3
171.00972	0.2
171.96458	6.3
172.97270	4.6
182.52437	0.2
182.99327	0.2
191.97179	0.2
199.98389	2.6
211.98112	0.2
220.09511	0.2
227.00749	2.3
228.01476	8.5
233.01071	0.8
256.04602	100.0
266.60004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2319
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
55.05527	32.3
57.03428	3.2
57.07086	77.0
67.05507	30.2
69.07070	99.0
69.73689	3.0
71.04998	5.4
71.08638	55.7
79.05502	18.2
81.07058	64.9
83.05000	4.1
83.08630	100.0
85.06531	5.4
85.10191	32.1
93.07051	42.5
95.08598	53.0
97.06555	36.1
97.10181	64.6
107.08625	37.2
109.10159	28.6
111.08085	22.1
111.11703	18.0
121.10148	35.6
123.11700	8.6
125.09618	27.1
135.11697	45.0
137.13237	5.1
139.11186	20.3
149.13271	37.7
153.12764	8.9
163.14798	26.7
167.14357	4.3
171.13858	4.7
181.15836	6.6
200.89542	4.0
219.21037	53.0
237.22189	33.3
259.33865	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	255.232
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
55.05524	40.8
57.03421	4.2
57.06875	4.1
57.07087	60.4
57.20860	3.9
59.28539	3.8
60.28353	3.5
60.47189	3.8
63.22578	3.4
67.05513	32.6
69.07076	100.0
71.05018	7.1
71.08641	44.2
79.05499	9.1
81.07070	45.5
83.08620	72.9
85.10168	20.0
93.07050	52.1
95.08610	49.7
97.06535	25.0
97.10175	53.0
102.32532	4.2
107.08617	30.1
109.10154	28.3
111.08054	9.2
111.11744	16.9
115.07565	4.1
121.10160	36.3
122.38762	4.2
123.11745	15.1
125.09613	21.4
126.90926	4.9
135.11714	41.0
139.11157	10.1
149.13264	33.5
153.12724	9.7
163.14833	23.3
167.14380	6.4
177.16447	6.0
181.15921	10.2
185.15073	4.2
219.21078	52.8
223.05354	4.1
237.22185	21.3
255.14186	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	255.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15309	3.0
57.07075	4.0
61.29390	3.4
62.02447	3.3
81.07069	6.9
85.96340	4.1
93.07016	7.3
95.08591	6.4
103.91795	3.7
105.07015	8.4
107.08613	7.6
114.50866	4.2
131.08519	4.9
145.10130	8.4
147.11685	18.3
159.11714	25.5
161.13255	57.5
173.13316	8.6
255.18594	7.4
255.21075	100.0
255.23637	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	255.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51313	2.2
54.49185	2.4
55.05497	3.2
57.07095	3.1
62.24806	2.2
67.05508	3.9
68.12189	2.3
69.07074	3.4
76.29671	2.4
81.07057	4.9
83.08632	2.7
92.17887	4.4
93.07039	4.7
95.08622	14.3
97.10181	3.4
105.07030	4.7
107.08563	5.6
109.10151	13.1
117.93147	2.6
119.08575	6.5
121.10180	4.0
123.11673	4.9
131.08611	3.0
133.10139	5.3
135.11693	11.3
143.08571	6.1
145.10118	10.7
147.11642	6.2
149.13182	2.9
157.10141	16.1
159.11699	13.1
161.13199	6.0
170.44904	2.7
171.11703	16.8
173.13118	3.7
185.13251	13.2
190.98500	3.0
195.45560	2.6
199.14842	27.8
213.16362	12.2
255.17854	19.9
255.21078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1958
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
53.95658	1.1
55.05518	10.8
57.07075	5.6
59.05008	2.0
61.02929	1.5
61.77184	1.1
67.05235	1.1
67.05518	17.7
69.07076	19.4
71.04992	13.7
71.08653	1.4
78.39279	1.1
79.05505	5.4
79.58371	1.1
81.07064	77.4
82.22382	1.2
83.04992	1.3
83.08633	17.7
85.06576	11.6
91.05502	9.8
93.07050	26.9
95.04978	1.5
95.08616	92.9
97.06528	7.6
97.10201	9.3
98.68975	1.5
98.77829	1.1
99.04465	63.0
99.08109	2.9
101.06031	1.8
104.74960	1.4
105.07037	14.8
107.08604	34.3
109.06510	5.3
109.10165	70.3
111.08091	9.6
113.09666	2.3
117.05510	2.7
117.07047	1.9
119.08585	37.9
121.10151	80.4
123.08082	7.0
123.11709	100.0
125.09628	11.1
127.07562	12.4
127.11172	1.8
131.08553	5.3
133.10139	20.0
135.08020	4.4
135.11693	22.8
137.09607	2.7
137.13297	5.2
139.11188	5.4
145.10138	16.3
147.11684	5.2
149.09616	7.2
149.13272	6.1
151.14799	1.7
153.09184	2.2
157.10103	2.1
157.16782	1.3
159.11696	23.6
161.13258	44.1
163.09999	1.6
163.11151	12.4
167.10655	5.6
169.10233	2.0
169.12231	5.0
171.11618	2.0
173.13255	2.9
175.14798	22.0
177.12833	4.9
177.16388	77.6
179.14299	12.4
181.12234	15.7
187.11177	2.5
191.14333	2.1
191.17949	5.7
197.13223	5.2
199.11169	2.4
201.16393	42.7
211.14810	2.5
213.16411	6.8
219.17455	44.6
235.51813	1.4
237.18497	80.7
255.17279	13.4
255.19585	9.4
275.60345	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	255.1956
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
55.01878	9.5
55.05289	3.2
55.05523	60.7
55.23970	1.8
55.76425	1.8
57.03414	2.6
57.07076	12.0
59.67479	1.7
61.05341	1.7
61.91731	1.9
67.05168	3.6
67.05511	58.8
69.07074	33.2
79.05507	31.7
81.07066	63.0
83.05000	3.7
83.08627	100.0
85.06545	13.8
91.05472	5.0
92.18482	2.8
93.07072	34.2
95.08050	4.0
95.08613	80.1
97.06536	9.4
97.10178	33.5
100.95880	1.9
105.07054	3.2
107.08608	38.3
109.06511	2.8
109.10155	65.6
111.08079	21.0
119.08584	4.8
121.06509	5.3
121.10155	56.0
123.08058	3.7
123.11704	17.3
125.09637	26.1
133.10100	4.6
135.11708	57.4
137.09583	10.7
139.07564	8.4
139.11156	4.1
145.10133	8.6
147.11653	3.6
149.09607	4.1
149.13257	15.0
157.08577	12.0
159.10223	2.8
159.11592	3.0
163.11165	11.3
175.09711	4.0
177.12819	2.0
191.17958	45.2
201.16380	20.0
219.17439	42.1
237.18500	76.4
255.15901	4.7
255.19536	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1956
Annotation	Isovaleroyloxylinalool
Peak:m/z	Relative Intensity
51.47329	0.8
55.01882	0.8
55.05520	3.4
57.03436	5.9
57.06826	1.2
57.07084	20.9
59.12641	0.7
66.81444	0.8
67.05511	20.9
69.07057	5.1
71.04986	3.9
76.17590	0.8
79.05493	4.8
81.07056	13.6
83.04971	1.5
83.08619	3.7
83.69777	0.8
85.06556	18.2
93.07047	11.2
95.08618	20.4
97.06570	1.5
99.08070	0.9
107.08603	7.3
109.10172	15.1
111.04461	1.2
113.09640	21.8
118.10769	0.9
119.08621	2.7
121.10124	7.7
123.11716	2.1
127.07558	100.0
131.08565	1.0
135.11705	12.7
137.09592	1.7
141.09116	1.0
145.10130	1.8
149.13185	1.0
153.12740	5.6
159.11621	1.0
163.11302	3.0
179.45564	1.0
181.12288	1.4
191.18100	1.1
201.16562	1.2
209.19046	3.3
219.17430	3.5
223.13234	1.2
225.82962	1.0
237.18480	21.0
255.15555	8.2
255.17845	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	255.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05741	0.3
55.05496	0.4
58.06587	0.7
62.98071	0.5
70.06581	1.5
72.04513	2.4
72.08166	3.7
82.06589	3.4
83.08096	0.3
84.08151	8.4
112.07620	0.4
114.08379	0.6
114.09173	15.2
124.08701	5.8
125.09443	0.7
136.08629	0.7
137.07091	0.6
138.10275	0.9
139.11082	0.8
142.09799	8.2
143.11823	5.2
153.12619	0.9
166.13441	0.4
178.13441	1.7
179.11789	0.9
186.41452	0.5
196.14375	1.8
197.13986	8.1
223.15501	5.0
237.17104	2.4
238.17848	1.6
248.31145	0.4
248.37093	0.4
255.18156	100.0
263.83597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07071	0.5
60.05649	9.6
70.06600	8.9
72.08159	91.4
73.57135	0.7
79.05502	6.5
81.07060	7.0
84.05644	2.9
96.08129	1.2
97.06516	1.5
97.07649	0.9
109.77623	0.8
114.10296	7.0
121.10223	0.8
124.07608	11.3
125.05984	7.6
126.09165	1.0
130.29221	0.8
130.61407	0.8
136.07581	7.5
138.10306	3.3
142.08665	1.4
142.29799	0.8
166.09743	7.1
178.12276	17.6
184.10806	57.3
189.25316	0.8
195.14929	3.3
196.13365	4.6
220.16943	3.2
221.48375	0.9
237.17230	1.0
237.19582	3.3
238.15520	6.8
238.18015	11.0
254.78333	0.9
255.18158	100.0
255.20555	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	255.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99525	0.9
69.17032	0.8
72.08159	57.2
75.19195	0.8
79.60538	1.0
84.05634	40.8
85.29669	0.9
123.08601	2.1
138.10258	5.2
155.12956	1.6
173.36606	0.9
184.10808	68.6
238.15533	3.6
255.18143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35415	1.2
59.83809	1.2
60.05662	10.0
70.06599	9.8
72.08163	92.5
73.16563	1.3
79.05502	7.3
80.60823	1.4
81.07059	8.6
84.05639	1.5
86.87255	1.3
89.87407	1.5
97.06557	3.2
110.57104	1.4
114.10297	8.2
123.08621	3.1
124.07619	15.2
125.05978	9.1
126.09145	1.7
129.81291	1.6
136.07581	6.9
138.10275	6.6
142.08658	2.2
144.08076	1.3
150.12791	1.5
154.08655	1.9
166.09769	7.4
178.12262	14.6
184.10837	51.3
196.13348	5.2
199.07622	1.7
220.16982	1.8
227.07114	2.8
238.15524	8.3
238.18030	8.1
255.06653	10.1
255.12233	3.4
255.18164	100.0
255.20596	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	255.1745
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
58.40955	7.4
58.71170	7.1
81.07043	10.4
83.08622	16.6
95.08622	9.3
97.06516	36.3
105.07046	19.6
107.08578	10.1
111.08081	19.3
121.10186	10.9
142.34969	9.6
145.10252	12.3
157.10138	14.5
171.11642	13.5
199.11174	12.0
212.12036	36.6
213.12782	14.4
237.16528	16.3
253.09128	9.0
255.17380	100.0
255.21173	11.8
274.09372	9.0
276.39322	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	255.1592
Annotation	Gliocladic acid
Peak:m/z	Relative Intensity
55.01874	21.5
55.05509	20.2
57.03456	8.2
57.07083	37.3
61.02940	9.8
67.05521	65.9
69.03429	41.9
69.07085	61.8
71.01363	6.5
71.04996	30.8
71.08643	4.8
79.05493	39.0
81.03426	25.4
81.07069	100.0
83.04996	34.4
83.08606	19.6
84.05653	8.7
84.16877	3.8
85.02904	27.9
85.06035	7.0
85.06552	19.6
91.05472	27.2
93.07050	74.3
95.04977	32.6
95.08628	64.0
97.02901	23.7
97.06543	30.6
97.10123	6.6
99.04471	9.1
103.03967	6.9
105.07055	34.8
107.04950	22.0
107.08601	52.2
109.06539	32.0
109.10168	35.1
110.02588	4.5
111.04418	10.4
111.08095	7.7
117.07020	19.9
119.08578	25.9
121.06511	21.3
121.10161	38.4
121.25827	4.4
123.04438	8.2
123.08067	7.3
123.11716	25.0
125.06028	7.1
125.09665	7.4
127.03924	6.2
131.08588	28.9
132.01671	4.7
133.06558	6.0
133.10123	21.5
135.08031	8.4
135.11697	30.5
137.09604	4.5
137.13292	7.3
139.07524	6.6
139.11177	6.2
145.10132	21.1
147.08041	9.0
147.11711	32.5
149.09615	9.6
149.13283	25.3
151.11206	30.5
153.07066	4.4
157.10101	6.2
157.75127	4.9
159.11676	19.5
161.13274	16.4
163.11197	38.4
163.14769	4.9
165.12747	30.5
173.13283	25.0
175.11209	8.0
177.12781	17.4
179.14265	5.9
189.12790	6.4
191.14328	16.2
193.12251	7.4
195.13855	22.8
198.12752	5.3
201.12628	6.8
207.13837	18.1
219.13841	27.4
237.14787	53.3
237.18599	5.6
255.06665	8.9
255.11778	41.4
255.15822	59.4
255.18436	9.3
255.21016	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	255.1591
Annotation	(-)-trans-C75
Peak:m/z	Relative Intensity
55.05486	3.4
57.07066	20.4
67.41510	2.4
81.07024	4.9
83.08605	3.5
95.08607	12.9
107.08583	5.2
109.10165	31.9
111.08051	4.3
112.49586	3.4
120.04335	3.0
125.09614	5.7
135.08044	3.8
135.11719	3.6
137.09680	4.8
139.07544	15.9
149.13269	18.0
151.14787	13.3
153.09163	3.6
167.14301	5.6
173.13216	3.2
195.13817	100.0
255.15814	6.9
255.21095	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	255.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52464	1.1
56.96570	1.1
57.07056	1.3
68.85715	1.2
78.82733	1.4
79.05502	6.0
89.28331	1.1
90.07690	1.3
91.05498	2.2
93.06997	2.6
98.92821	1.3
100.99132	1.4
103.14293	1.2
105.07037	2.4
107.08602	100.0
117.07008	11.9
119.74009	1.3
135.08060	73.7
135.11655	2.0
139.11140	2.1
145.06491	2.0
148.00697	1.2
155.50764	1.3
163.07547	36.7
167.10669	29.7
177.09087	7.1
181.34236	1.3
195.10178	12.0
208.99625	1.7
217.73033	1.4
227.12753	2.5
255.18027	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	254.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83998	48.4
51.40322	47.0
53.81483	45.5
73.44611	59.8
73.45067	70.4
77.68608	50.6
91.33610	64.1
101.54268	71.0
104.29794	55.0
178.95694	63.9
194.93945	100.0
220.45949	69.4
254.97195	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	254.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	0.8
57.03445	0.5
58.06604	0.9
67.05521	0.7
70.06592	2.6
72.04517	1.0
72.08151	2.3
73.02923	2.5
81.89808	0.5
82.06635	0.5
84.05637	58.5
84.08151	16.4
84.96016	0.7
85.02905	0.6
85.06466	0.5
86.09715	20.0
88.03978	1.0
91.05482	0.7
97.02902	1.1
98.97604	2.3
100.07625	100.0
100.35041	0.6
105.07035	1.0
110.09689	25.7
110.10438	1.0
110.97594	4.2
112.07580	0.9
114.09173	2.1
115.08708	0.8
119.04929	1.1
121.02874	18.0
124.11238	40.9
126.09155	2.2
126.12804	25.0
127.12413	0.5
128.98611	3.3
129.13869	1.0
140.14360	11.8
144.03673	0.6
144.98056	0.7
147.04460	2.1
148.07617	2.4
149.81668	0.5
154.12270	10.5
155.11784	2.9
166.08621	2.1
166.12289	4.5
167.15375	0.6
168.13870	2.0
169.13358	10.9
170.99710	0.7
175.03944	5.1
176.07016	0.6
183.14943	4.8
185.16521	8.6
194.08157	7.5
195.18588	2.1
207.06555	5.1
208.10890	4.9
222.04678	3.1
223.05951	2.1
226.11877	0.7
231.05244	4.8
236.10289	1.2
236.21292	1.0
254.11362	72.7
254.22266	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	254.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56723	0.4
58.06597	0.4
58.78684	0.4
61.59034	0.4
70.06580	0.7
72.04504	1.3
72.08153	0.9
84.05635	7.3
84.07674	0.7
84.08149	12.4
86.09709	19.8
91.03429	0.4
98.09684	0.7
99.65303	0.4
100.07623	100.0
110.08943	1.0
110.09691	21.4
112.07620	0.8
112.11221	0.5
114.09157	0.7
115.08736	0.8
121.02885	0.6
124.10320	0.8
124.11232	25.3
126.09170	2.5
126.12804	14.3
127.12336	2.4
129.13885	2.1
140.14355	6.7
154.12276	5.2
155.11786	2.6
166.12270	3.5
168.13879	0.9
169.13350	7.4
183.14876	3.3
185.16451	4.6
194.08217	1.0
195.18614	1.7
223.18079	0.5
230.47966	0.5
236.21338	0.5
243.64606	0.4
254.11398	7.7
254.22269	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08076	0.1
65.03937	0.8
70.02964	1.2
70.06577	0.2
70.75024	0.1
71.06111	0.2
72.08182	0.3
74.02441	0.2
81.07063	0.2
84.05637	8.8
84.08131	0.3
85.02879	0.2
88.03999	1.6
93.03374	0.2
96.05624	0.4
96.08102	0.3
98.97530	0.2
100.07640	0.3
105.07043	1.2
107.08585	0.2
110.09752	0.2
111.04469	0.3
114.06658	1.3
116.03465	0.7
119.08572	0.2
121.02872	100.0
134.04497	2.8
134.09654	0.4
135.08032	0.2
136.11195	0.6
138.05513	0.2
138.10268	0.7
139.03912	0.4
146.09645	0.8
147.09215	0.2
147.80235	0.2
148.07596	0.2
148.11176	1.2
161.10722	0.2
163.12253	1.5
164.10805	0.4
168.07744	0.4
176.10701	1.6
193.09767	1.7
194.08113	0.7
194.11780	0.3
195.11340	0.2
207.11342	0.2
208.06355	0.2
208.14505	0.3
212.10350	0.3
218.12839	0.2
224.13965	0.3
236.05594	1.7
236.10475	0.2
236.13976	6.7
254.06871	1.9
254.11411	8.7
254.15028	13.5
254.22308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40557	0.1
53.00915	0.1
57.04527	0.2
64.01563	0.2
70.06573	0.3
72.08141	0.3
79.81722	0.2
83.50737	0.2
84.05633	27.1
85.06413	0.3
95.06110	0.2
97.08540	0.2
98.07178	1.0
99.07485	0.3
120.08073	0.7
121.02859	7.4
121.06461	0.2
124.07536	0.2
132.08092	2.2
133.56381	0.2
137.02359	2.6
143.06882	0.8
144.07303	0.2
148.07582	1.0
151.03902	18.6
151.27190	0.2
166.08649	0.8
176.07173	0.3
178.08615	0.8
180.04260	0.2
183.02905	0.3
184.03278	1.2
194.08139	3.2
194.09737	0.3
195.06532	100.0
196.31268	0.2
208.10864	2.2
226.11887	0.7
232.71518	0.2
236.10385	0.7
254.11346	33.6
254.13890	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	254.118
Annotation	Proguanil
Peak:m/z	Relative Intensity
58.68278	0.1
60.06231	0.1
65.03933	0.1
70.02952	0.2
72.26598	0.1
84.05634	5.4
87.95334	0.1
90.55183	0.1
96.91849	0.1
98.97578	0.6
100.55511	0.1
120.08082	0.2
121.02869	10.9
148.07616	0.2
150.40297	0.1
151.68939	0.1
155.08186	0.1
158.99643	0.4
166.08624	0.2
167.07278	0.1
180.08040	0.4
189.12750	0.1
194.08093	0.6
208.10989	0.6
209.11989	2.3
210.12804	0.1
225.07899	0.1
226.11949	0.2
236.10617	0.9
238.08629	0.2
254.11729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66745	0.4
54.94536	0.4
56.06783	0.5
57.04576	0.9
70.60533	0.3
80.29358	0.4
84.05636	100.0
85.06414	1.0
122.09630	0.5
132.08102	0.5
148.07602	4.7
154.41183	0.5
166.08635	2.0
176.07100	0.8
190.09766	0.4
194.08150	12.2
208.10826	5.9
226.11804	1.6
228.58006	0.5
236.10286	2.0
254.11353	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1136
Annotation	Pyricarbate
Peak:m/z	Relative Intensity
54.76376	0.4
55.05523	0.5
57.04555	0.6
60.05650	2.0
66.87213	0.4
66.98091	0.4
72.08150	1.8
74.02446	0.9
84.05632	92.9
85.06414	2.4
92.43696	0.5
94.76302	0.4
95.04976	0.9
97.56523	0.4
105.07064	0.7
107.04950	0.7
120.08112	0.5
121.02856	1.0
131.04880	0.5
133.06462	0.7
134.07201	0.5
135.08090	0.5
148.07515	3.0
149.05997	0.8
150.09180	0.6
151.07549	1.7
166.08655	0.9
172.07512	0.5
176.07089	1.0
190.08485	0.6
190.09950	0.6
192.11310	0.8
194.08095	7.1
195.06424	0.8
196.50720	0.4
208.10876	5.9
210.12430	0.9
226.11800	1.0
232.95341	0.4
236.10379	3.4
254.11340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1136
Annotation	Pyricarbate
Peak:m/z	Relative Intensity
57.04575	1.3
60.04575	0.2
60.05655	0.6
60.44473	0.2
70.43118	0.1
72.25304	0.2
84.05637	93.9
85.06412	2.1
90.27298	0.1
109.29590	0.1
110.07152	0.2
111.04398	0.2
119.98785	0.1
120.08136	0.3
122.09679	0.6
124.07641	0.2
132.08092	0.3
136.07590	0.2
141.06609	0.2
148.07578	4.3
162.10339	0.3
166.08620	3.0
167.07013	0.2
173.52728	0.2
176.07045	1.2
190.09839	0.3
194.08122	9.6
195.11377	0.3
204.37589	0.2
208.10814	7.4
210.12410	0.3
225.05785	0.2
226.11880	2.9
236.10304	3.1
254.11351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01355	0.2
51.47716	0.2
53.47527	0.2
54.14342	0.2
56.39602	0.2
65.03935	1.3
70.02940	1.3
74.02429	0.4
82.66825	0.2
84.05634	9.3
88.03976	1.1
90.16183	0.2
93.03373	0.2
114.06653	0.3
116.03445	0.9
121.02867	100.0
126.53236	0.2
134.04517	3.3
139.03923	0.4
148.07590	0.5
163.12268	0.3
176.07086	0.3
176.10695	0.5
189.18088	0.2
194.08192	1.0
200.04433	0.2
208.06161	0.2
208.10820	1.0
208.14430	0.3
236.05577	1.3
236.10266	0.3
236.13937	1.2
241.51521	0.3
254.07126	1.7
254.11380	13.3
254.15009	3.8
254.17104	0.3
258.88187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83569	0.1
64.36062	0.1
65.03938	0.6
70.02962	1.1
74.02425	0.7
84.05641	2.9
88.04001	1.4
93.03413	0.2
98.35394	0.2
111.04456	0.3
116.03461	0.8
117.70858	0.1
121.02868	100.0
134.04488	3.0
139.03908	0.8
148.07375	0.1
185.85243	0.2
208.10884	0.2
236.05582	1.3
254.06709	1.6
254.11330	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	254.066
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
55.13624	0.1
65.03954	0.9
70.02950	1.3
71.32362	0.1
74.02430	0.4
84.05640	1.4
88.03997	1.6
93.03411	0.4
98.97590	0.2
105.07005	0.5
111.04451	0.2
116.03450	0.6
120.08078	0.1
121.02868	100.0
133.76138	0.1
134.04498	3.3
134.05510	0.1
139.03889	0.8
158.99614	0.2
194.11760	0.1
208.06088	0.4
208.13391	0.1
236.05478	1.6
254.06610	2.0
254.11418	2.3
254.13936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97443	0.1
61.10868	0.1
65.03942	0.9
70.02956	1.3
74.02439	0.3
75.39063	0.2
84.05624	0.4
86.10304	0.2
88.03996	1.6
88.15162	0.2
111.04473	0.2
116.03470	0.7
120.08099	0.4
121.02867	100.0
121.61205	0.2
129.88725	0.2
134.04486	3.1
139.03908	0.4
167.02098	0.2
208.06113	0.2
208.08728	0.3
214.26283	0.2
236.05547	1.9
254.06555	1.4
254.11485	0.7
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	9Z,12Z-hexadecadienoic acid
Peak:m/z	Relative Intensity
55.05522	55.9
57.07073	20.8
63.43363	2.8
67.05508	41.9
69.07077	100.0
70.38259	2.9
71.08649	4.5
79.05492	18.8
81.07060	84.5
83.05016	3.4
83.08627	72.2
85.06522	3.6
85.10230	4.3
91.05492	22.7
91.78368	3.0
93.07048	30.2
95.04973	3.3
95.08613	79.2
96.52551	3.2
97.06538	16.7
97.10170	62.9
105.07027	30.3
107.08598	27.5
107.69913	2.8
109.06474	3.0
109.10157	43.5
111.08076	7.1
111.11716	30.6
112.58792	2.8
119.08576	31.0
121.10163	43.4
123.08074	6.1
123.11700	25.3
125.09637	4.5
129.83951	3.1
133.06467	5.0
133.10130	42.7
135.11682	33.1
137.09630	12.9
137.13266	14.7
139.11160	4.6
147.11691	30.2
149.13281	5.2
151.11206	15.9
151.14781	6.4
153.12663	5.4
157.23303	3.6
161.06000	12.6
161.13235	21.1
165.12762	4.4
175.14856	7.2
179.14250	5.4
191.17905	6.1
193.08609	13.7
193.19531	15.9
217.19528	59.7
222.23726	3.1
235.20485	39.0
253.19427	17.8
253.21684	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	253.2162
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
50.27398	2.8
50.68298	2.8
50.72056	3.4
53.83387	3.7
55.05517	42.1
57.07079	16.0
59.74051	3.2
62.90701	3.5
67.05513	55.8
69.07079	89.1
71.05006	5.8
71.08627	4.5
79.05499	16.4
81.07066	87.4
81.10046	3.3
83.04961	4.5
83.08628	66.0
85.06534	7.3
85.10171	3.8
91.05474	17.3
93.07059	33.9
94.38086	3.2
95.08614	100.0
97.06516	8.5
97.10170	56.1
104.13427	3.5
105.07030	23.2
107.08646	26.7
109.10174	48.8
111.08080	15.9
111.11723	13.7
119.08575	24.6
121.10142	52.5
123.08076	4.7
123.11712	18.8
125.09671	4.1
133.10184	30.9
135.11714	33.7
137.09659	8.9
137.13225	7.3
139.11156	7.4
147.11673	25.1
149.13222	6.6
161.12070	3.8
161.13286	19.4
175.14810	8.0
187.83669	3.5
193.19493	14.1
217.19530	39.7
235.20491	30.8
253.21561	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	253.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93327	0.6
57.07083	33.0
67.05507	1.1
69.07068	0.7
81.03405	1.5
81.07058	1.8
95.04966	5.1
95.08618	1.1
97.02891	17.8
99.04468	5.6
107.08569	1.3
109.10143	1.6
113.05987	1.4
116.34931	0.7
123.04427	15.1
137.09622	1.7
139.33922	0.8
141.05466	64.5
151.11134	5.5
179.09178	1.4
179.10663	25.4
197.11726	100.0
206.98837	1.1
228.07437	0.8
253.17897	19.6
259.01233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	(+)-Todomatuic acid
Peak:m/z	Relative Intensity
57.07085	100.0
59.93752	1.3
69.07067	2.2
71.04990	2.1
79.23946	1.3
81.07052	7.9
95.08597	7.2
97.06554	1.8
105.07022	5.4
107.08582	1.6
109.10163	2.9
120.04467	7.6
121.10105	2.0
123.11671	1.9
125.57918	1.3
133.06441	1.4
133.10103	3.3
136.08829	1.6
137.09573	1.7
143.08514	1.4
151.11191	13.8
151.36409	1.3
161.05934	1.8
165.09105	12.4
179.10583	2.1
193.08505	1.8
197.11713	3.4
205.98843	1.5
206.99002	2.7
207.17499	2.8
235.16862	1.8
253.08536	2.5
253.17590	11.3
253.19994	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	253.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14483	0.4
55.05537	0.6
60.04527	0.6
70.06602	0.6
72.04523	6.4
72.08163	13.4
80.05020	2.9
97.06475	0.6
98.07162	0.7
112.08748	1.1
114.09177	45.3
116.05300	0.6
120.04475	12.1
122.07160	18.5
140.08192	10.7
176.11829	1.1
193.84848	0.5
196.37874	0.5
196.77046	0.6
225.17113	2.3
235.13161	1.5
235.15529	37.1
253.16602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1661
Annotation	Hexazinone
Peak:m/z	Relative Intensity
57.83714	0.7
60.04523	0.7
63.75153	0.6
72.04515	7.0
72.08159	12.6
75.62215	0.6
80.05008	3.6
98.07211	1.4
112.08734	1.3
114.09172	47.0
120.04474	3.7
122.06332	1.2
122.07160	17.9
134.05305	0.8
140.08170	11.6
176.11928	2.4
180.15216	0.7
194.12761	0.7
225.17117	1.1
235.15556	39.5
253.16588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1438
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
50.75034	1.4
51.88515	1.4
55.05505	1.9
57.03460	5.0
57.81108	1.8
65.37972	1.6
67.05511	16.8
69.07065	2.3
79.05508	7.2
81.03423	2.1
81.07055	6.3
91.05486	61.0
93.07055	6.4
95.04955	1.8
95.08604	6.5
105.07043	26.2
107.08601	3.2
109.02939	1.9
111.11718	1.7
117.06985	2.6
119.08611	6.4
120.04478	2.2
123.04328	2.4
124.56841	1.8
131.08592	2.5
133.10143	100.0
143.08583	3.4
151.11223	2.9
159.11749	2.0
161.09621	15.3
161.13297	2.8
163.35283	1.6
180.01149	57.5
180.02646	2.9
189.99100	1.8
197.11751	2.1
197.13293	2.8
235.03827	2.8
235.17050	2.3
253.14273	36.8
253.19810	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	Aspergillide C
Peak:m/z	Relative Intensity
55.05518	2.8
57.03447	6.4
57.07085	0.7
60.95923	0.4
67.05515	14.6
69.03436	0.5
69.07076	4.5
71.04616	0.4
71.04994	0.8
74.22996	0.3
77.03944	0.5
79.05505	3.8
81.07053	7.9
83.04994	0.8
83.08625	0.8
85.06547	2.6
91.05487	55.1
93.03358	0.5
93.07044	6.0
95.04971	3.3
95.08609	4.0
97.06561	0.6
99.04434	0.5
101.06042	0.5
105.04497	0.4
105.07040	21.8
107.08601	5.5
109.06519	2.3
109.10190	3.8
111.04413	0.7
111.08110	0.7
111.11726	0.7
113.06012	1.7
115.05499	0.4
117.07001	3.0
119.03424	0.8
119.08575	5.9
120.04466	9.0
121.10133	3.9
123.08040	0.8
123.11718	0.8
125.06052	0.4
125.09634	0.5
127.07584	0.7
127.11238	0.5
128.06242	1.5
131.08575	2.1
133.06494	1.8
133.10133	100.0
135.08066	0.6
135.11705	3.1
137.06006	0.4
137.09628	1.6
137.53880	0.4
139.11224	0.4
143.08563	5.4
145.10138	1.8
147.08012	0.6
147.11740	2.3
149.09619	0.6
149.13306	0.5
151.11192	5.8
157.10159	2.4
159.11708	2.3
161.09621	16.9
161.13255	0.5
171.11702	0.4
175.14839	2.3
179.10645	3.1
183.11693	0.4
189.16447	1.6
197.11752	2.2
197.13341	0.6
199.14757	0.8
217.15933	1.8
235.13277	1.4
235.16931	3.2
253.08740	0.9
253.14365	34.3
253.17781	2.1
253.19603	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	253.1438
Annotation	Aspergillide C
Peak:m/z	Relative Intensity
50.79148	0.5
52.62339	0.4
55.01867	1.1
55.05514	3.2
57.03448	0.6
57.07082	0.5
67.05508	4.7
69.03439	1.0
69.07074	5.8
71.04987	1.2
72.08151	2.5
79.05512	6.8
81.03430	0.6
81.06612	0.6
81.07070	16.8
83.04986	2.3
83.08617	2.1
85.06536	1.2
91.05479	5.0
93.07043	8.9
95.04981	2.9
95.08618	14.5
97.06527	2.4
97.10178	1.0
101.05999	1.8
105.06381	0.9
105.07040	18.2
107.04949	2.3
107.08597	11.1
108.96172	0.5
109.06515	6.6
109.10162	5.9
111.08092	4.4
111.11765	0.5
113.06002	0.7
114.10310	5.4
115.03877	0.7
115.05473	0.6
117.07047	2.0
119.08595	8.4
120.04472	29.0
121.06487	4.8
121.10157	6.4
123.08070	19.8
123.11707	0.9
125.05984	1.2
125.09641	0.9
127.11217	0.6
129.05443	0.7
129.06993	2.3
131.08578	6.4
133.06509	7.5
133.10143	6.6
135.08040	3.4
135.11697	3.1
137.06024	0.8
137.09630	2.2
137.92870	0.6
139.07571	2.2
139.11235	0.6
140.10762	0.6
141.05495	1.0
143.08582	4.1
145.10150	9.5
147.08040	5.3
147.11694	10.1
149.05975	0.5
149.09608	2.5
149.13208	1.9
151.07547	18.5
151.11205	1.0
152.10800	0.5
153.09157	0.6
157.10143	3.8
159.08101	0.7
159.11676	3.9
161.05992	2.8
161.09660	1.1
161.13219	3.9
163.11208	2.9
165.09126	4.0
169.08658	0.7
171.11700	9.2
175.07544	0.9
175.11183	2.3
175.14787	0.9
177.09146	5.4
177.12753	2.7
179.07028	5.5
179.10619	0.6
179.14310	0.7
181.10216	0.6
185.08130	3.1
189.12775	5.4
189.16435	2.0
193.08636	5.8
193.17163	1.5
194.15388	4.4
195.10124	2.1
197.08107	6.5
199.11116	1.7
199.14745	0.7
206.98811	0.7
207.13786	5.0
209.08167	2.0
211.09651	8.6
217.12282	3.7
217.15831	1.0
221.17249	0.7
235.09579	0.7
235.13261	13.1
235.16975	3.3
236.17572	3.2
253.08672	2.4
253.14362	100.0
253.20015	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	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
52.26650	1.2
55.01874	6.5
55.05520	2.1
60.72163	1.4
67.05505	14.8
71.04993	1.5
73.02954	1.6
79.05505	10.5
81.03415	1.6
81.07071	13.0
83.04977	11.9
83.08621	1.8
85.02895	6.9
85.06548	3.0
91.05471	17.4
93.07063	14.5
95.04964	5.8
95.08598	6.6
97.06525	9.2
98.73467	1.2
99.04456	2.2
101.02388	3.4
105.07033	44.7
107.04949	6.7
107.08604	9.1
109.06529	16.7
109.10162	1.5
111.04449	45.8
111.08095	3.1
117.07005	6.8
119.08580	24.4
121.06479	2.9
121.10169	1.7
121.14170	1.4
123.08057	14.5
125.05986	2.3
129.06998	17.2
131.08575	9.3
133.06487	23.0
133.10164	13.4
135.08058	9.5
135.11693	15.0
137.05984	19.7
137.09622	7.4
139.07597	4.1
143.08575	7.3
143.84290	1.3
145.10146	11.1
147.08145	1.6
147.11700	20.0
151.07542	45.5
151.08701	2.5
151.11147	3.4
157.10147	37.0
161.09703	4.6
161.13251	11.6
171.08005	1.8
171.11691	71.3
173.13313	1.7
175.11177	17.1
181.10118	6.0
189.12743	65.1
189.14380	2.7
193.12334	2.0
199.11162	28.5
207.13800	48.8
217.12244	100.0
235.13281	60.4
235.16966	3.2
253.08510	1.6
253.14352	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05049	1.5
60.25310	0.2
71.28436	0.2
72.08167	0.5
78.28441	0.2
81.07056	0.4
82.10928	0.2
83.03728	2.9
84.05634	1.4
95.20612	0.2
95.60580	0.2
96.85106	0.2
97.06411	1.5
98.07186	100.0
112.08688	0.3
120.08137	0.3
121.08424	0.5
124.05045	1.7
125.05870	2.7
136.75290	0.2
142.06125	1.1
143.06909	66.0
156.07739	0.3
162.06303	0.5
175.05858	0.3
194.08983	0.5
207.08345	0.4
245.97104	0.2
247.47249	0.3
253.08249	0.4
253.10349	2.1
253.12611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0821
Annotation	(R)-N-formyl-beta-hydroxy-L-kynurenine
Peak:m/z	Relative Intensity
50.29107	0.1
50.73602	0.1
52.28429	0.1
59.76446	0.1
60.04539	0.2
61.27705	0.1
63.92800	0.1
65.03934	0.8
66.24765	0.1
69.95481	0.1
70.06608	0.2
72.08157	0.6
76.03985	0.1
79.63139	0.1
83.58716	0.1
84.04510	0.2
88.03976	1.2
89.10752	0.1
92.05012	3.6
98.07185	1.5
103.56269	0.2
106.02924	1.3
120.04474	100.0
137.02328	0.1
138.05519	2.8
143.06905	0.8
147.11565	0.1
149.07104	2.8
162.57719	0.1
164.04228	0.2
165.04459	0.2
166.08606	0.2
175.05057	0.9
193.01398	0.2
193.06145	1.1
207.02989	0.2
207.07599	0.2
236.12000	0.2
253.08234	3.5
253.10570	0.2
253.15582	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	253.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32948	0.1
55.05515	0.1
56.05038	1.4
62.34430	0.1
64.85172	0.1
65.77066	0.1
68.86446	0.1
70.05360	0.2
70.06601	0.3
72.08161	0.7
73.06430	0.2
81.07082	0.3
83.03736	2.7
84.05643	1.9
84.08158	0.2
85.06464	0.2
85.51671	0.1
88.04006	0.2
91.05494	0.2
92.05824	0.2
93.07058	0.2
95.08632	0.2
96.05603	0.3
97.06400	1.0
98.07186	100.0
105.07037	0.3
107.08578	0.2
109.10193	0.2
112.08739	0.2
120.04527	0.2
120.08142	0.2
124.05085	1.0
124.80473	0.1
125.05868	2.7
133.10109	0.2
142.06120	1.1
143.06909	67.4
147.04410	0.9
147.09984	0.7
149.05977	0.2
156.07680	0.4
157.10126	0.2
171.11653	0.2
175.05882	0.2
193.10486	0.2
207.12154	0.6
233.21382	0.2
235.17195	0.2
253.10509	2.8
253.15118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.171
Annotation	Procainamide 4-hydroxylamine
Peak:m/z	Relative Intensity
55.05513	2.0
61.32948	0.9
68.37809	0.7
72.08150	3.7
84.05191	1.4
84.05644	27.4
85.06390	2.0
110.07163	5.3
138.10281	82.6
150.10306	1.1
163.03931	1.9
164.04259	3.1
187.97549	1.0
192.07405	1.0
193.07664	1.5
198.12442	1.4
205.98758	1.6
206.16461	1.6
208.06055	1.2
210.12361	1.4
219.05228	1.5
252.09683	7.0
252.17078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1231
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
60.04525	1.1
67.57335	0.8
72.08140	3.4
74.56447	0.7
77.81276	0.8
79.05470	1.2
84.04523	0.9
90.99141	0.9
91.05477	1.6
103.05437	1.0
104.03467	6.5
105.07043	26.2
106.06541	4.8
106.07339	3.4
107.04957	14.6
115.05447	4.1
131.04910	4.1
131.32211	0.9
133.06497	38.7
135.74048	0.9
151.07550	14.5
160.07607	6.3
161.05969	62.6
163.03903	1.5
164.04234	5.6
167.07040	3.9
191.09410	19.8
192.06575	3.5
193.08606	64.0
205.98697	3.6
206.08060	4.3
206.15388	1.0
208.09691	1.3
210.11226	7.2
219.08826	8.7
229.00197	0.9
234.10973	1.2
235.11487	3.4
236.54608	1.1
237.09973	18.9
252.12271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1232
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
50.30010	0.7
60.04530	1.2
60.57090	0.8
105.07037	24.5
115.05454	1.1
122.09646	2.0
133.06502	26.4
143.06081	1.1
159.79834	0.9
160.07579	7.1
161.05983	46.3
167.07037	1.5
191.09436	20.2
193.08623	45.0
205.32156	1.5
206.08150	6.2
206.11758	1.8
210.11227	4.6
219.08975	8.3
237.09949	16.1
242.56874	0.9
242.93799	1.0
252.12303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1232
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
56.05044	0.6
58.74420	0.3
60.04525	0.9
67.66360	0.3
79.05496	0.4
91.05473	0.4
91.22343	0.4
103.05447	0.6
105.03382	0.8
105.07040	18.7
105.07748	0.7
115.05441	2.9
118.06502	0.5
120.08101	7.3
131.04977	0.6
133.06493	29.4
133.58183	0.5
143.06030	2.6
146.05992	0.8
160.07555	5.3
161.05974	53.8
163.03883	0.6
164.04222	0.6
167.07021	3.5
178.06245	0.8
178.08586	0.6
188.07077	2.4
191.09416	19.8
193.08607	54.1
204.75757	0.4
206.08125	10.9
208.09668	2.2
210.11243	7.5
219.08914	7.5
220.09756	0.6
222.07579	0.5
237.09949	14.6
252.12294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1228
Annotation	dimethachlor OXA
Peak:m/z	Relative Intensity
52.02647	0.4
52.84789	0.3
56.68214	0.4
57.03438	0.7
70.06602	4.6
72.08131	0.7
79.05491	0.7
79.09517	0.4
85.02911	33.9
101.35354	0.4
103.05437	0.4
105.07037	100.0
115.05437	0.4
122.09672	88.6
123.04398	1.0
131.03421	1.6
133.06505	11.8
143.06030	0.5
160.07555	2.5
161.05971	21.0
163.03886	0.7
164.04254	2.2
167.06982	0.6
178.06227	0.7
188.10666	6.7
191.09383	9.4
192.10182	0.5
193.06830	0.7
193.08600	20.1
205.98830	0.5
206.08098	2.4
206.11769	58.8
210.11247	2.9
219.08881	3.7
234.11156	0.7
235.11604	0.5
237.09940	6.7
252.12291	62.6
252.16663	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	252.1232
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
51.58949	0.3
60.04528	1.0
77.06899	0.4
77.28297	0.3
105.07040	16.0
113.97736	0.4
115.05443	2.3
118.41746	0.4
120.08095	0.4
132.05679	0.5
133.06499	20.9
143.06059	0.9
155.21101	0.4
159.81000	0.5
160.05162	0.4
160.07611	3.5
161.05980	41.7
167.07031	2.3
191.09425	14.9
192.10207	0.5
193.08612	46.5
206.08173	5.5
208.09657	0.6
210.11237	7.2
216.79153	0.4
219.08914	5.6
220.09607	0.6
223.48196	0.4
237.09943	11.1
252.12305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
55.41688	0.3
57.40361	0.3
59.74703	0.3
64.46158	0.4
67.05583	0.3
72.52046	0.3
87.00842	2.0
99.01909	0.4
103.05472	2.4
104.03466	1.5
106.06538	0.5
107.04955	3.0
114.38683	0.4
118.06549	8.0
120.08109	100.0
122.23447	0.4
128.05016	0.4
131.04926	1.6
146.06020	17.0
149.06012	0.5
154.24765	0.4
161.05956	0.7
164.07118	0.5
166.08664	2.3
188.07063	24.6
192.06599	2.4
206.08138	61.7
216.06508	0.5
234.07574	1.7
252.12392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0871
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
51.04435	0.3
58.51617	0.3
62.83376	0.3
79.05505	10.5
86.02431	3.4
87.00836	1.7
88.03984	1.2
91.05488	1.4
93.29547	0.3
103.05475	1.9
104.03474	46.6
105.07024	0.7
106.06563	26.0
107.04961	100.0
116.03472	0.4
123.10008	0.3
131.04932	28.8
132.04402	2.4
134.04475	0.7
149.05978	7.0
151.07597	0.4
163.50089	0.3
187.91406	0.3
192.06563	30.4
197.97543	0.3
216.06548	0.5
234.07590	3.0
252.08575	0.4
273.76749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
65.42448	0.5
70.02934	1.0
70.06572	0.6
72.08130	0.6
74.02443	19.5
81.07090	0.6
84.04523	0.6
84.05642	13.2
85.06403	1.2
86.64774	0.6
88.03993	53.8
88.41117	0.5
91.05482	100.0
93.06980	0.7
94.24611	0.5
95.04980	0.6
105.03388	1.2
105.07073	2.1
108.53750	0.6
109.06525	1.0
116.03459	19.7
119.04946	24.7
120.08903	0.6
133.06496	1.0
134.04491	76.8
136.07582	1.4
137.05969	1.1
148.08394	2.4
149.09645	0.7
150.10046	1.0
151.07568	1.1
161.05988	3.6
162.10011	0.7
163.97617	0.7
165.09029	0.9
166.09459	2.5
176.11536	1.1
187.97728	1.0
191.09441	1.0
193.08649	2.8
205.98801	3.6
206.08180	3.5
234.07649	5.3
252.09752	9.4
252.12325	5.3
252.16684	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	251.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50624	3.9
54.94679	4.2
55.05513	7.4
56.23963	4.7
57.03453	6.3
57.07081	9.7
67.05497	9.8
69.07072	5.7
69.13227	4.1
71.08614	7.1
72.08147	21.9
75.13103	4.8
78.44225	4.7
79.05476	5.5
81.07056	25.9
83.04987	4.8
83.08640	5.9
89.10796	19.4
89.61672	5.4
93.07079	5.7
95.08611	55.3
101.66399	4.4
104.73685	4.8
109.10186	19.2
116.76340	4.4
121.10139	10.4
137.62395	4.8
163.03918	100.0
163.97693	7.0
169.15845	40.7
186.99347	9.1
233.09435	5.4
234.11234	10.2
251.13892	27.1
251.16255	5.9
251.23666	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.95561	1.9
53.15491	1.9
55.01896	21.5
55.05513	13.2
57.03450	2.5
57.07084	3.8
57.46308	2.1
67.05513	52.9
69.07082	29.4
71.04989	4.0
71.08619	11.4
79.05515	16.9
81.07067	68.7
83.04984	2.3
83.08639	16.0
83.30328	2.0
85.06568	11.5
91.05498	4.3
93.07049	33.8
95.08611	90.1
97.06554	28.7
97.10137	2.7
98.11900	2.0
99.08112	8.9
100.73319	2.0
105.01157	2.0
105.07032	3.3
107.08598	19.7
109.10155	51.3
110.34611	2.0
111.08105	15.8
117.07002	2.4
119.08600	9.4
121.10147	24.0
123.11698	16.4
125.09611	3.4
131.08569	9.9
131.26613	2.3
133.10143	13.1
135.11720	20.3
137.13278	3.1
139.11281	3.4
141.09161	3.6
147.11745	4.9
149.09700	2.6
149.13301	8.3
159.11687	8.6
163.11272	2.9
173.13332	2.7
200.55478	2.3
205.19568	2.7
215.17960	3.8
233.19054	13.4
251.20061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.0
55.05510	3.6
55.67392	2.0
57.07086	27.6
57.52278	2.3
65.41750	2.3
67.03918	2.5
67.05508	17.9
69.07053	3.0
72.08161	19.4
78.45785	2.3
79.05504	4.9
79.71346	2.6
81.07071	22.1
85.06544	23.1
89.10770	15.7
91.05460	5.2
93.07057	20.0
95.08599	19.5
97.10163	2.5
103.05473	10.0
105.07018	2.9
107.08613	10.2
109.10160	15.1
121.06516	25.5
121.10099	3.0
123.11715	3.4
125.09606	10.5
131.08540	2.4
133.10129	11.0
134.03603	3.8
135.11722	3.3
145.02815	12.9
145.96649	4.7
149.05998	39.8
149.09747	2.3
149.13260	3.6
151.84840	2.9
153.05414	3.0
163.03911	100.0
163.05890	4.4
163.97775	4.5
177.05530	15.7
181.08553	22.7
186.99338	4.3
191.07021	15.8
209.08040	42.0
234.11282	5.9
251.13950	22.2
251.20126	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2008
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.79686	4.9
55.01870	33.9
55.05532	6.3
57.03439	7.3
57.07094	45.6
57.07332	5.7
59.04980	5.7
67.05511	86.4
69.07055	15.1
71.04990	6.7
72.08143	6.4
79.05491	27.6
81.07069	98.9
83.19884	7.3
83.60722	7.3
85.01146	5.7
85.06539	26.5
89.10779	11.7
89.60728	6.5
91.05470	11.1
93.07053	27.7
95.08621	100.0
97.06532	59.3
107.08616	12.9
109.10127	61.2
113.09642	6.5
121.10122	28.3
122.88559	7.9
123.11687	15.9
131.08594	7.6
133.10126	15.3
135.11700	23.8
145.96654	12.0
149.09610	10.1
163.03932	64.5
163.97670	8.9
171.97398	7.4
183.46515	6.6
187.43190	6.5
211.74187	7.0
215.17934	9.4
221.35368	6.7
233.19058	8.7
251.16333	7.1
251.20096	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.53172	5.1
51.35743	4.6
55.01880	47.4
55.05507	28.5
57.07073	10.1
60.52589	5.0
67.05513	60.5
69.07062	13.2
71.08638	96.2
72.08150	10.1
79.05483	34.0
81.07065	63.6
83.08624	33.7
84.68736	6.5
88.14129	5.9
93.07053	44.9
95.08611	69.2
99.08084	77.1
107.08630	44.6
109.06496	23.7
109.10172	26.0
111.08083	77.7
117.09132	7.2
119.08550	7.8
121.10142	33.0
123.11702	11.2
131.08563	7.7
133.10124	6.4
135.08032	5.6
135.11707	71.2
137.09621	26.4
139.11223	11.0
145.10106	6.2
145.96669	9.4
149.06042	7.5
149.09557	7.1
149.13275	7.4
153.12796	9.8
163.03882	74.6
163.97725	9.5
167.10686	5.3
168.98300	5.3
186.99298	11.2
191.17903	10.2
205.19388	5.6
215.17938	8.1
223.20506	10.4
231.05026	5.3
233.19048	12.1
251.14073	9.9
251.16374	6.8
251.17282	5.9
251.19998	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.3
58.38249	0.3
59.05010	100.0
67.05521	0.4
72.08184	0.4
81.07108	0.5
93.07056	0.4
99.08112	1.9
107.08595	0.5
115.63390	0.4
117.09129	9.8
125.21573	0.4
144.15596	0.5
163.03928	4.4
175.13376	1.7
179.23293	0.4
233.15544	0.4
243.61894	0.4
250.05527	0.4
251.14098	0.8
251.18547	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	251.1642
Annotation	Heliannuol D
Peak:m/z	Relative Intensity
55.05514	14.9
57.03427	1.0
67.05486	1.4
69.03419	1.2
69.07043	1.9
71.04971	1.1
79.05471	2.6
80.26959	1.0
81.07034	4.8
83.04982	8.3
91.05437	4.9
93.07031	2.4
95.04949	5.3
95.08585	5.2
97.06502	1.8
99.75217	1.1
105.07016	7.1
107.04944	7.1
107.08579	11.9
109.06514	2.0
109.10157	2.5
117.06992	1.2
119.04929	7.2
119.08586	20.9
121.06442	1.5
121.10104	6.2
123.07990	1.4
125.05962	2.0
129.06982	1.8
131.08626	9.1
133.06490	2.2
133.10132	11.6
135.08057	9.0
137.09570	6.5
143.08565	4.9
145.10085	4.4
147.06932	1.6
147.08043	39.1
147.11652	2.2
148.08803	5.0
149.09625	41.6
151.11115	5.5
156.09398	1.4
157.10135	11.7
159.08060	2.2
159.11700	4.1
161.09584	5.8
163.03889	8.2
163.11119	4.0
164.52927	1.1
165.09111	60.0
167.22990	1.1
170.10883	5.4
173.13264	1.7
175.11192	18.3
175.14856	4.1
177.05406	1.2
179.10674	17.1
185.13261	9.4
187.14522	1.3
189.08113	1.3
191.14227	2.0
196.10788	1.1
203.14345	17.0
205.15819	1.7
215.14301	5.8
221.15356	21.3
233.15395	17.9
251.10721	1.9
251.16391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	3alpha-Hydroxyfuroepaltol
Peak:m/z	Relative Intensity
51.05275	0.4
53.53056	0.4
55.05508	4.5
56.37552	0.4
63.34404	0.4
63.53016	0.4
63.75196	0.5
69.03434	0.6
69.07053	1.0
69.15411	0.4
70.06596	0.9
71.04964	1.0
72.08160	24.0
79.05491	2.7
81.07059	4.3
82.04184	0.7
83.04978	2.5
89.03887	0.6
89.10796	14.9
91.05489	2.8
93.07034	2.8
95.04977	2.5
95.08599	0.7
96.06869	1.0
97.06519	0.9
97.36146	0.6
98.06046	0.8
105.07022	3.0
107.08588	4.2
108.06859	6.1
109.06520	2.5
109.07652	2.7
109.10147	0.9
114.09162	0.8
117.03362	1.0
119.04940	1.2
119.08611	6.8
121.06501	1.1
121.10137	1.8
123.11700	0.6
124.08698	2.2
125.06011	1.0
126.11449	0.5
129.06963	0.9
131.08600	3.5
133.06508	0.6
133.10121	2.5
135.04462	3.8
135.08055	3.0
137.09605	2.3
143.08534	0.9
145.02858	5.7
145.10133	3.0
147.08057	9.6
147.11674	1.9
148.08765	0.6
149.09610	10.3
151.11188	1.1
152.07076	0.9
157.10115	2.7
159.08000	0.7
159.11693	1.0
161.09587	2.8
163.03899	100.0
163.11176	2.2
164.04245	1.0
165.09097	16.6
170.10896	0.9
173.09628	0.8
173.13304	0.9
174.97083	0.5
175.11177	6.8
177.05492	0.6
179.10699	5.5
185.13231	1.2
187.11060	0.5
187.14729	0.8
191.07100	0.5
192.10220	0.7
197.40596	0.5
203.14349	5.1
205.15756	0.6
207.13718	0.8
215.14352	2.3
221.15349	6.1
233.15356	4.6
234.11226	10.2
251.13887	20.7
251.16441	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	251.1642
Annotation	Heliannuol A
Peak:m/z	Relative Intensity
51.96661	1.4
55.05522	22.3
65.94919	1.5
66.93449	1.5
69.07048	1.7
71.71203	1.6
72.08145	9.6
74.36702	1.4
79.05493	2.3
81.07051	3.9
83.04960	7.6
87.47726	1.5
89.10800	2.8
91.05457	7.1
92.72566	1.6
93.06991	3.5
95.04937	6.5
95.08583	7.3
97.06535	2.4
102.35201	1.8
105.07007	10.4
107.08573	11.6
108.15137	1.8
109.10110	3.9
119.04907	10.0
119.08582	26.0
121.06519	1.8
121.10119	6.7
123.08064	2.0
125.05962	2.7
131.08549	10.5
133.06461	3.3
133.10118	8.9
135.08017	3.4
137.09589	2.7
143.08551	2.7
145.02824	3.0
145.10130	3.6
147.08051	53.7
147.11630	1.7
148.08838	2.7
149.09631	36.6
151.11137	2.9
156.09344	1.9
157.10075	11.0
159.11719	2.7
161.09605	7.9
163.03899	40.8
163.11214	3.1
165.09114	79.3
170.10831	2.3
173.13290	1.9
175.11176	27.7
175.14896	2.1
179.10661	25.8
185.13312	8.0
203.14297	21.1
215.14273	3.2
221.15352	33.4
233.15364	11.3
234.11250	3.7
251.13942	7.4
251.16389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1645
Annotation	[1S-(1alpha,4alpha,4aalpha,8aalpha)]-1,3,4,4a,5,8a-Hexahydro-1-hydroxy-4,7-dimethyl-1-(1-methylethyl)-2,6-naphthalenedione
Peak:m/z	Relative Intensity
51.89938	0.4
54.53391	0.4
55.05524	14.7
55.05781	0.7
57.03447	1.0
59.05019	6.0
69.03438	0.6
69.07066	1.0
71.05003	1.0
72.08156	1.3
79.05518	0.8
81.07058	1.9
83.04998	4.2
89.10780	0.7
91.05484	2.4
93.07061	5.0
95.03940	0.5
95.04974	6.0
95.08620	1.2
97.06551	3.1
105.07047	3.0
107.08606	6.9
109.06537	2.8
109.10181	2.4
119.08585	2.7
121.10136	5.0
123.08036	0.6
125.05991	6.7
131.08597	3.9
133.10156	2.0
135.08063	7.4
137.05980	1.2
137.09633	2.4
143.08510	0.7
145.10176	1.1
147.11763	0.6
149.09630	100.0
151.11224	2.1
159.08015	0.5
161.09607	7.9
163.03911	11.3
163.11226	1.0
173.13287	0.8
177.09076	3.6
179.10689	15.0
187.14757	0.9
189.00133	0.5
191.10799	0.6
191.14363	0.9
195.10184	0.6
197.11829	2.3
205.15948	0.8
215.14253	2.2
233.15364	12.4
234.11232	0.9
251.14110	2.8
251.16400	58.2
265.87067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.05517	3.3
57.07079	10.1
58.09935	2.5
59.05005	11.1
59.78237	2.3
62.58504	2.1
67.05492	11.3
69.03419	13.8
69.07063	14.7
71.04996	66.3
72.08169	2.7
79.05488	3.6
81.03429	4.8
81.07075	22.9
83.04974	15.9
83.08616	12.1
85.06541	13.5
91.05484	4.8
93.07037	17.8
95.04975	20.6
95.08604	24.6
97.06519	17.1
99.14723	2.6
105.07050	20.4
107.08585	21.4
109.06525	11.8
109.10168	22.1
111.08066	11.1
113.05998	10.3
113.13181	2.8
117.06999	3.0
119.08566	23.7
121.06487	9.8
121.10134	38.2
123.08068	20.8
123.11714	10.6
125.05997	44.9
131.08606	18.6
133.10149	13.5
135.08055	4.2
135.11685	6.3
137.09610	55.4
142.01672	2.7
145.10146	29.5
145.96700	3.1
147.08049	74.7
147.11725	20.3
149.05968	5.3
149.09624	25.1
151.07524	13.2
151.14796	5.1
157.10139	6.1
159.08018	2.6
161.13319	6.0
163.03900	14.4
163.11174	85.3
163.14803	5.5
165.09114	4.3
171.11801	3.9
172.12524	4.1
173.09540	3.6
173.13268	14.3
175.11182	17.1
177.09113	5.4
179.14345	31.5
181.12265	29.0
187.14832	15.1
191.14346	17.8
193.12299	10.3
195.10133	8.8
205.15860	13.3
207.13762	11.5
209.07936	4.1
215.14255	19.3
233.13060	3.6
233.15361	83.8
233.17587	5.0
251.06764	3.4
251.12457	4.4
251.16164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Heliannuol A
Peak:m/z	Relative Intensity
55.05255	0.6
55.05521	16.7
57.03436	0.6
67.05486	2.4
69.03413	1.1
69.07049	2.7
71.04987	2.6
72.08144	1.2
76.97362	0.6
77.88500	0.6
78.79538	0.6
79.05484	3.9
80.68928	0.6
81.07051	3.1
83.04986	6.3
84.10065	0.6
85.06542	0.7
91.05497	6.2
93.07043	7.2
95.04968	6.4
95.08587	3.2
97.06552	2.3
101.05975	1.2
105.07029	6.5
107.04977	1.4
107.08607	10.1
108.73502	0.5
109.06509	3.9
109.10131	4.0
110.48205	0.6
117.06986	1.2
119.04950	7.0
119.08584	27.3
121.06463	2.5
121.10146	6.6
123.07975	1.2
123.08717	0.9
125.05990	4.4
129.07002	0.9
131.08580	7.7
133.06497	2.6
133.10127	7.9
135.08084	7.7
135.08965	0.9
137.09650	6.2
142.07814	1.2
143.08566	4.3
145.10124	5.3
147.08049	41.1
147.09224	1.4
147.11761	2.0
148.08786	2.9
149.09630	33.2
151.11169	4.9
155.08496	1.0
156.09328	1.1
157.10121	8.3
159.08061	2.7
159.11685	5.9
161.09654	7.1
161.13245	2.9
163.03909	6.5
163.11168	3.6
165.09111	66.3
169.97896	0.6
170.10942	4.9
173.09590	0.7
173.13202	2.5
175.11189	23.5
175.14769	2.7
177.05528	0.9
177.09143	1.1
179.10660	17.0
185.13284	9.7
187.14861	0.9
189.12778	0.9
203.14325	18.4
205.15906	2.7
215.14299	5.5
221.15392	22.6
233.15384	12.8
234.11261	1.1
251.16403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.8
69.85130	0.2
72.08157	1.7
84.08155	0.5
86.06076	6.5
86.06588	0.3
86.09724	1.1
87.04480	9.6
89.10793	0.5
91.05476	0.3
93.07024	0.5
95.04964	0.4
103.05487	2.5
104.07115	28.7
112.03980	0.3
120.08109	100.0
121.54780	0.2
125.45112	0.2
129.10240	1.0
130.04993	0.4
131.04919	3.3
131.22165	0.2
132.63014	0.2
136.06198	2.4
137.04697	0.2
137.06606	2.0
145.02798	0.3
145.10121	0.3
149.09602	0.3
163.03876	3.1
177.05493	1.0
180.81587	0.3
188.10834	0.3
191.14558	0.2
205.12151	0.3
206.11800	0.4
216.10132	2.6
233.12859	3.0
233.15089	0.3
234.11366	1.6
240.45308	0.2
251.01292	0.2
251.13832	18.8
262.97943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1391
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
58.06596	1.1
73.68827	0.2
75.09241	1.0
81.07034	0.6
89.03917	0.6
100.07655	0.4
101.07131	0.5
101.66763	0.2
111.38541	0.3
117.03378	1.8
118.48322	0.3
122.48635	0.3
134.03555	0.3
142.23225	0.2
145.02852	30.8
149.06003	1.1
152.34309	0.3
163.03859	0.4
164.83566	0.3
175.11249	0.3
177.05470	100.0
234.11250	48.6
238.15137	0.3
251.13896	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1392
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
72.04512	0.5
72.08162	37.1
84.08130	0.8
89.03914	0.7
89.10799	27.5
98.06035	0.7
110.30000	0.4
115.08721	0.8
115.38297	0.5
117.03373	1.1
130.07835	0.5
132.53673	0.5
135.04411	4.2
136.06190	0.8
137.06514	0.9
145.02846	7.6
163.03903	100.0
177.05481	2.0
177.09549	0.6
205.70793	0.5
215.14760	1.0
233.15782	11.7
234.11250	8.3
251.13940	25.3
251.16611	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	251.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02392	0.5
70.83440	0.4
71.58066	0.4
72.08163	24.1
89.03917	2.7
89.10802	13.6
107.05640	0.4
108.52529	0.4
115.08717	0.7
117.03373	2.3
135.04478	3.9
145.02849	6.5
163.03903	100.0
234.11273	13.0
251.13898	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1392
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
56.05050	0.4
58.66541	0.3
79.05475	0.9
84.04514	26.5
102.05550	0.4
105.07041	100.0
108.61517	0.3
122.09675	40.1
123.88530	0.3
130.05005	6.4
163.03923	2.7
205.13377	5.7
234.11258	31.7
251.13910	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	251.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32470	0.2
56.19509	0.2
72.08160	36.9
83.66649	0.2
89.03925	1.6
89.10797	25.1
98.06056	0.8
104.12534	0.2
107.04961	0.3
114.09211	0.3
115.08683	1.1
117.03394	1.8
135.04430	4.7
145.02847	7.1
163.03902	100.0
180.06586	0.2
184.35210	0.2
234.09142	0.4
234.11273	7.8
251.13899	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43087	0.3
53.69511	0.3
58.06598	0.6
72.08162	3.7
72.64407	0.3
75.09243	1.9
89.03915	1.4
89.10770	1.9
100.07654	0.4
101.07127	0.3
117.03403	3.6
124.56985	0.3
135.04410	0.5
145.02861	33.6
146.05980	0.4
149.05988	0.8
151.96397	0.3
163.03917	16.4
177.05479	100.0
234.11256	51.4
251.13914	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	251.1281
Annotation	Norsecoglutinosone
Peak:m/z	Relative Intensity
53.12951	1.5
64.02983	1.9
65.77790	1.6
67.05517	4.5
69.03429	3.0
70.90350	2.1
71.05022	1.7
72.08161	9.2
77.38259	1.8
79.99610	1.7
81.07052	9.0
89.10838	4.0
91.05460	3.6
93.07054	4.3
95.04951	2.2
95.08572	2.4
103.05463	2.2
109.68814	2.1
121.06494	4.1
121.10198	2.5
135.08020	2.0
145.02840	2.1
145.96654	7.8
149.05994	10.4
151.07574	8.7
163.03912	49.1
163.97760	2.3
175.07613	2.5
179.07045	100.0
179.08635	3.3
181.08658	2.6
186.99373	4.5
191.07074	2.7
191.10684	39.6
195.06587	2.8
205.12245	19.1
209.08087	4.8
233.11722	27.9
234.11266	8.6
242.92195	2.5
251.12616	41.3
251.16232	3.3
265.81015	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	251.1278
Annotation	Norsecoglutinosone
Peak:m/z	Relative Intensity
50.19640	0.3
54.51600	0.3
55.01874	0.3
61.73590	0.4
63.10806	0.4
67.05521	0.6
69.03444	1.9
76.17480	0.4
77.44366	0.4
81.07085	0.9
91.05515	1.9
93.07059	2.4
95.08627	1.0
103.05500	0.8
105.07070	2.0
107.08598	0.6
109.10155	0.5
121.06539	1.9
123.08096	2.1
129.85561	0.5
133.06526	0.7
135.08113	0.4
135.11713	0.5
145.10182	0.9
149.05969	0.6
151.07547	9.3
151.49818	0.4
163.03912	2.0
163.07541	2.1
163.97610	0.5
173.09569	0.5
177.09174	0.7
179.07030	100.0
186.09093	0.9
186.99135	0.5
191.06984	0.6
191.10678	3.1
195.06586	3.6
205.12260	12.9
205.15936	0.6
233.11734	9.5
251.12726	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	251.1279
Annotation	Norsecoglutinosone
Peak:m/z	Relative Intensity
51.47396	0.2
55.01889	0.2
59.05009	0.4
60.99152	0.2
67.05502	0.3
69.03435	2.0
69.07087	0.3
70.06624	0.5
72.08167	1.4
73.42363	0.2
80.17088	0.2
81.07091	0.6
89.10816	0.4
91.05479	1.6
93.07044	1.7
95.05000	0.6
95.08623	1.0
97.06523	0.3
103.05493	0.5
105.07030	1.1
107.08598	0.3
111.41985	0.3
114.09184	1.0
119.04948	0.3
119.08569	0.3
121.06546	1.3
123.08071	1.0
123.11845	0.3
131.08612	0.4
133.06499	1.1
133.10143	0.4
136.05241	0.4
137.05952	0.4
145.10173	1.0
145.96707	0.3
147.11707	0.5
148.97292	0.3
149.05969	0.6
151.07544	8.3
159.11649	0.4
162.44984	0.2
163.03905	5.1
163.06082	0.3
163.07487	1.8
163.97655	0.3
164.04720	0.3
175.11092	0.3
176.08299	0.4
177.12688	0.5
179.07033	100.0
181.08685	0.3
187.11198	0.3
191.06992	0.5
191.10698	3.2
192.30859	0.3
193.08601	0.3
195.06546	2.6
205.12253	11.0
215.10536	0.5
233.11714	9.1
233.15321	0.4
251.12759	24.7
251.21223	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04734	1.9
72.08154	27.6
77.62634	0.8
82.04203	23.0
83.06113	1.5
89.10793	17.8
95.06033	1.5
96.06876	34.7
98.74474	0.9
107.06062	4.8
108.06862	83.1
109.07643	35.1
110.08434	2.1
110.75939	0.9
117.03442	0.9
124.08713	34.3
126.10286	1.4
135.04460	3.7
135.09222	1.6
137.10794	1.0
144.49281	1.0
145.02858	6.2
149.10724	1.6
152.08136	1.5
163.03897	100.0
163.12437	1.1
174.10278	1.3
175.11090	0.9
177.05344	1.0
177.10318	1.1
183.45348	1.0
188.11813	4.8
192.11415	1.0
206.12915	2.2
207.13632	11.9
234.11226	13.0
251.13847	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	251.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93650	0.8
55.01883	20.3
56.24926	1.0
63.38330	1.0
67.05513	2.3
68.02066	0.9
69.07071	0.9
72.08160	12.9
75.10076	1.2
81.07065	2.2
89.10789	9.0
91.05483	13.6
93.07042	23.5
95.04955	4.5
95.08592	2.5
103.05472	19.2
105.04549	1.2
105.07018	1.1
106.04176	4.0
107.04926	2.0
107.08622	1.1
115.53172	1.1
117.03380	4.1
118.04162	1.9
119.08540	1.0
121.06507	57.3
121.10110	1.1
131.04933	8.2
131.05870	1.1
134.03658	12.8
135.04428	4.0
145.02850	12.2
145.10075	1.6
145.96626	2.1
147.04340	1.4
148.05182	6.0
149.05989	100.0
153.05470	2.5
159.04443	1.3
159.05608	1.1
161.13202	1.2
163.03906	47.7
163.07541	4.0
163.97708	4.3
166.06236	1.6
168.98340	2.2
173.63478	1.1
176.04709	4.8
177.05470	43.0
180.07785	1.1
181.08588	53.0
186.99335	5.1
191.07050	25.6
209.08090	83.8
233.13315	1.3
234.11246	5.2
251.08966	1.5
251.13881	10.3
251.18060	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06102	1.3
54.40780	1.4
55.01875	8.1
56.78717	1.1
67.05489	1.5
72.08165	22.9
74.26739	1.3
81.07065	5.6
83.08633	1.6
89.10791	15.5
91.05486	8.2
93.07037	15.3
95.04934	2.9
95.08601	5.5
103.05466	15.0
105.86285	1.5
107.04963	1.7
109.10125	1.8
121.06512	31.2
131.04907	6.4
133.10097	1.6
134.03644	6.3
135.04387	2.9
135.11604	1.8
145.02852	10.1
145.96664	7.8
148.05209	1.9
149.05998	58.5
153.05415	1.9
163.02499	3.4
163.03906	100.0
163.07507	1.7
163.97722	6.5
170.57039	1.7
176.04620	1.5
177.05476	22.3
181.08614	32.2
186.99277	8.0
191.07039	16.0
193.66833	1.6
194.26295	1.6
198.50758	1.6
209.08084	57.7
215.17969	1.9
233.15399	1.9
234.11220	9.1
251.13957	24.8
251.16122	3.5
251.18134	3.2
251.20203	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	251.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77152	1.2
55.01881	23.0
63.06144	1.2
67.05498	1.5
71.05016	1.3
91.05476	12.6
93.07048	27.8
95.04968	2.3
95.08607	1.7
103.05471	21.9
106.04182	3.0
107.04971	1.9
117.03372	2.1
119.04927	1.4
121.06506	54.8
121.10180	1.5
125.27683	1.3
131.04942	10.3
131.08568	1.8
134.03622	13.1
145.02837	8.8
145.96640	5.7
148.05194	7.7
149.05978	100.0
153.05473	2.1
159.04422	1.7
163.03867	10.0
163.07591	2.8
163.97691	5.4
166.06282	2.0
168.98257	1.4
176.04735	3.2
177.05463	42.4
181.06982	2.0
181.08598	58.1
186.99326	5.3
191.07059	22.7
209.08086	89.3
251.06929	1.6
251.09348	1.9
251.13988	2.3
251.20145	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	250.9719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10284	4.8
55.77534	4.1
58.91978	3.5
64.43324	3.4
70.47110	3.7
70.98957	3.6
77.03040	4.1
87.73325	4.0
96.92825	6.1
110.42321	3.8
129.41478	4.4
131.24918	4.2
250.97212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
60.04517	1.1
69.03439	0.3
69.07041	0.3
70.06606	0.3
71.08635	3.6
72.04514	0.5
72.08144	1.3
81.03420	0.4
84.04499	1.1
84.08160	0.3
85.02903	1.0
86.09696	0.5
88.11260	2.8
97.02895	3.2
97.06518	1.4
98.06038	0.5
99.04451	0.4
100.11259	13.5
115.03945	0.6
126.05509	0.6
127.03905	1.7
130.12302	2.4
136.05183	0.6
136.06190	13.5
142.12248	0.4
143.05769	0.4
144.06589	1.0
154.12302	0.3
158.08051	0.4
162.07501	0.4
163.05826	0.3
166.12289	0.5
170.11784	0.5
172.13292	1.7
176.09193	4.3
191.05396	0.4
196.13306	0.4
214.14374	11.3
232.15434	100.0
233.10069	2.1
250.12952	10.1
250.16501	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	250.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98403	0.2
55.61565	0.2
57.62378	0.2
66.35027	0.2
72.08135	0.2
73.10954	0.2
74.02351	0.2
75.76081	0.2
80.30235	0.2
82.48660	0.2
83.03854	0.2
90.19987	0.2
92.72817	0.2
100.53403	0.2
111.38397	0.2
116.58508	0.2
119.04947	0.4
137.13835	0.2
147.04407	18.5
163.03850	0.4
191.07021	100.0
245.33179	0.2
250.14375	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	250.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89582	0.2
70.06599	0.3
70.36237	0.1
70.87782	0.2
91.05489	0.3
95.01629	0.2
96.00082	0.2
96.59071	0.2
104.10789	0.2
119.04964	1.9
147.04416	26.9
155.43736	0.2
161.42451	0.2
163.03897	0.9
191.07034	100.0
242.32556	0.2
250.14383	15.6
258.29858	0.2
268.63828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	0.1
57.47881	0.1
59.51894	0.1
63.53989	0.1
63.68783	0.1
65.03935	0.1
70.06597	0.6
72.08148	0.2
77.90788	0.1
91.05469	0.7
98.13986	0.1
98.14662	0.1
119.04934	1.6
134.03612	0.1
147.04417	26.3
163.03868	1.0
191.07034	100.0
233.10236	0.1
241.61664	0.1
250.14372	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.144
Annotation	Peyophorine
Peak:m/z	Relative Intensity
52.57774	0.2
66.33554	0.3
69.07074	0.3
72.08133	0.3
103.00098	0.3
122.05994	0.7
123.06798	1.3
130.06564	0.3
134.06056	0.7
136.07552	0.4
137.08336	1.4
138.05496	1.4
138.09122	1.7
147.06772	0.3
148.07542	1.5
150.05499	4.2
152.07076	1.8
153.07883	2.3
160.07602	0.4
161.08469	0.5
161.09842	0.5
162.05481	0.6
164.07051	1.9
166.08638	6.5
175.06293	0.4
176.07054	4.1
189.07880	1.8
190.08604	0.5
193.07338	1.6
204.13850	4.0
206.19067	5.4
207.08919	0.6
214.12144	0.4
220.13263	0.6
222.14900	16.3
232.06061	0.4
232.13359	8.7
232.15509	0.8
250.14388	100.0
250.17990	3.4
250.21541	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	250.144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09616	0.2
63.05865	0.2
64.91596	0.2
91.05428	0.4
92.18438	0.2
106.83068	0.2
116.78999	0.2
119.04951	1.3
147.04419	19.1
173.73235	0.2
191.07045	100.0
250.14392	8.1
273.10150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16241	0.3
55.05507	0.3
64.46179	0.3
66.03764	0.3
70.06572	0.4
72.08141	1.8
72.72128	0.3
91.05460	0.4
98.06067	1.2
119.04917	0.6
147.04420	20.0
160.19746	0.3
163.03900	0.5
163.29539	0.3
191.07039	100.0
241.61806	0.5
250.14421	8.6
253.68170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56793	0.2
54.35067	0.2
66.88941	0.2
69.68140	0.3
70.06593	0.3
72.08136	0.3
74.48463	0.2
91.05425	0.9
103.05469	5.2
127.23527	0.2
147.04408	16.9
162.05511	1.3
191.07027	100.0
224.91711	0.3
250.14369	9.9
259.59918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	15.8
61.34214	1.1
69.05807	6.5
70.06597	46.9
72.08161	61.1
80.98902	1.2
84.04508	2.3
84.11437	1.3
89.10793	9.8
95.18698	1.2
98.06054	51.8
99.06838	2.8
115.08691	16.7
115.63396	1.4
117.99812	1.3
123.04406	2.5
127.08681	8.9
134.02618	2.0
134.03625	27.9
134.06052	2.1
135.04488	1.3
136.05209	3.0
147.04465	1.8
162.03337	14.6
162.05499	100.0
163.03925	15.9
164.04701	7.9
178.05011	5.9
181.07343	2.2
187.03917	3.1
192.10242	1.7
193.94579	1.2
221.10501	8.0
230.04752	1.3
232.15424	20.1
233.06006	2.1
233.10448	16.9
238.96695	1.4
241.61765	2.9
250.13074	12.8
250.15665	6.2
251.07030	8.0
260.22632	1.3
264.34381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58261	0.8
55.05524	10.5
58.30134	1.0
69.03435	1.1
69.05817	1.5
70.06292	0.8
70.06602	16.2
70.49814	0.8
72.08163	28.1
85.02898	5.0
89.10787	1.7
90.60405	1.0
91.73251	1.0
98.06065	16.3
115.08694	2.3
120.08105	16.7
123.04417	4.5
127.08734	1.0
133.02820	4.4
134.03668	9.4
135.04430	2.4
136.05194	3.9
136.08745	1.2
145.02831	1.6
147.04411	16.4
148.03395	1.3
161.02385	3.6
162.03087	4.9
162.05550	6.8
163.03900	21.2
170.09682	1.6
183.57039	1.3
187.03983	1.9
191.07037	100.0
197.56691	1.2
204.10190	2.1
206.08188	6.0
233.10500	15.4
234.11403	2.2
241.61751	16.0
250.10744	3.3
250.13063	4.2
250.14584	5.5
250.18144	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	250.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	2.4
58.87029	1.1
60.23809	1.3
69.05819	22.1
70.06599	100.0
72.07795	2.4
72.08159	35.6
75.57047	1.2
78.04685	1.4
84.04494	6.8
98.06087	2.1
99.06860	10.5
106.04163	1.6
110.06046	2.2
118.06029	1.4
123.04445	5.6
127.08685	12.4
131.58517	2.0
134.03644	92.6
136.05214	9.5
147.04437	3.3
155.64326	1.5
162.03125	41.3
162.05507	2.0
163.02597	1.7
163.03896	32.2
164.04686	18.8
178.04962	15.2
178.08699	1.6
181.07381	2.9
202.08763	1.6
220.09731	2.4
221.10495	14.5
228.13055	1.4
233.10449	29.2
250.13120	28.8
250.16475	10.7
274.30148	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11502	0.2
53.78556	0.3
55.05519	1.8
58.39053	0.3
59.96510	0.3
63.09185	0.3
69.07066	2.2
70.06594	1.8
72.08164	4.2
79.05509	0.4
80.35507	0.3
85.02919	4.1
97.06539	2.1
98.06068	2.0
108.86134	0.3
119.03510	0.3
120.08111	8.7
123.04449	0.4
135.04414	0.5
136.06195	76.5
146.09615	0.4
161.02394	0.3
161.03889	0.3
162.03084	0.7
163.03888	2.1
174.07794	1.2
178.05078	0.4
186.09096	0.3
204.10202	0.7
232.09744	0.6
232.11842	0.4
233.10480	1.6
241.61772	2.2
250.12994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64384	0.2
51.37895	0.3
51.85387	0.3
53.36211	0.3
54.00474	0.2
55.05519	7.4
56.05852	3.3
61.88989	0.2
64.57635	0.3
70.06586	2.0
72.04517	0.4
72.08160	24.0
73.07859	0.6
73.08487	9.2
88.31590	0.3
88.97487	0.3
89.10777	0.6
91.19257	0.3
97.02798	0.3
98.06052	2.9
106.06582	0.3
107.06906	0.4
115.08688	0.4
120.08092	0.6
121.01661	1.5
134.03596	0.7
134.06023	7.3
135.06375	8.8
135.86380	0.3
138.05518	0.4
150.05519	1.9
151.05859	2.9
152.67714	0.3
160.03955	0.5
161.04292	0.5
162.03291	0.4
162.05495	14.2
163.05847	21.3
177.11073	1.5
178.04974	12.5
179.05333	26.6
190.04976	10.2
191.05330	34.3
191.15607	0.3
197.34976	0.3
204.06883	0.4
204.10210	2.3
205.10536	12.6
223.07671	0.4
232.09683	3.8
232.15489	2.9
233.10016	100.0
241.61859	1.6
250.07280	1.5
250.12653	63.5
261.67358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2214
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
55.05496	4.8
60.31654	2.3
62.44106	2.6
67.05182	4.0
67.05511	76.9
68.66038	2.5
69.07092	4.7
73.98361	2.3
79.05496	25.5
81.07066	100.0
83.08610	12.4
85.06575	2.8
91.05490	14.7
93.07052	33.6
95.08606	90.9
95.36302	3.4
97.06547	5.7
103.50523	2.7
105.07024	14.4
107.08604	18.6
109.10177	22.4
119.08591	13.2
121.10139	6.5
123.11703	6.2
130.09625	3.6
133.10168	17.4
135.11690	6.8
137.13289	18.9
147.11697	6.4
149.13281	13.2
154.37025	2.9
161.13240	12.1
175.14709	3.2
182.14172	3.0
190.10185	3.2
203.17937	3.1
231.21092	17.2
249.22073	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
50.19904	0.5
50.91046	0.5
57.07084	21.1
59.77041	0.7
107.35449	0.6
118.07797	1.6
121.33714	0.7
133.10016	0.8
136.57114	0.7
137.05042	1.1
137.05998	14.7
150.06750	1.3
160.12495	1.7
176.12154	0.8
193.12254	71.2
217.38187	0.8
249.18491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
52.64702	3.0
55.05510	4.6
57.42313	3.0
62.75350	3.2
65.03938	5.8
67.05502	19.1
69.03436	37.7
69.07066	8.9
71.04983	20.3
72.08155	5.3
79.05502	38.4
81.03428	14.0
81.07060	51.0
83.04988	6.2
85.02908	24.1
87.00846	4.8
88.23997	3.6
91.05486	23.3
93.03416	5.8
93.07046	51.2
95.04958	25.5
95.08596	39.9
97.02881	14.8
97.06522	18.8
99.04436	3.7
105.07035	44.6
107.04969	6.0
107.08606	45.6
109.02859	7.5
109.06534	13.7
109.10162	13.4
111.04512	3.8
111.08096	7.4
113.06020	5.8
117.07017	7.4
119.08578	100.0
121.06482	6.3
121.10137	20.7
123.08081	22.9
123.11739	4.1
125.06039	3.7
127.03953	15.1
128.06351	4.3
129.07005	8.2
131.08553	40.2
133.10112	29.3
135.08072	22.6
139.03897	8.1
140.24873	3.8
141.07011	3.7
142.07838	5.9
143.08533	40.5
145.10126	66.3
147.08029	17.6
147.11729	6.7
149.09636	21.5
155.08435	5.6
156.09299	7.4
157.10120	30.5
159.08083	65.8
159.11687	36.1
161.09621	31.1
161.13245	15.9
163.07573	13.3
163.11143	4.9
167.10686	44.8
170.10880	15.9
171.08089	4.0
171.11684	46.3
172.08923	4.6
173.09598	14.5
173.13283	19.0
175.07555	8.6
175.14828	8.4
185.09714	4.6
185.13237	60.1
187.11165	4.1
187.14682	3.8
189.09100	5.0
189.12766	17.7
191.10620	4.8
195.79613	4.2
198.10304	4.7
203.14339	29.8
204.10156	5.8
213.12766	34.5
219.13731	7.4
226.54671	3.5
231.10159	4.7
231.13821	91.2
249.05371	4.3
249.11324	18.9
249.14795	76.5
249.18639	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	249.1489
Annotation	3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 2-methylcrotonate
Peak:m/z	Relative Intensity
53.03933	0.7
55.05520	7.6
57.03423	0.8
61.02927	0.6
69.03439	8.3
69.07049	0.5
71.04982	0.7
71.23497	0.6
72.08172	5.0
79.05488	1.1
81.03431	5.0
81.07043	2.6
83.04965	1.0
83.86659	0.6
85.02472	0.7
85.02905	9.4
85.90076	0.5
86.09711	10.3
87.00841	5.9
88.69477	0.5
91.05450	2.7
93.06531	0.5
93.07021	4.9
95.04970	2.2
95.08593	2.2
97.02869	3.8
99.04434	2.6
105.01838	2.3
105.06999	3.9
107.04922	0.6
107.08583	6.9
109.02877	16.5
109.06508	2.3
109.10167	0.8
119.08564	3.6
121.06469	1.1
121.10146	4.9
123.08018	3.7
127.03925	7.6
129.06924	0.8
131.08562	4.6
133.10147	1.3
135.08041	3.6
136.07565	3.1
137.05980	2.2
137.09590	0.8
145.04935	0.7
145.06523	0.7
145.10089	2.1
147.08018	3.9
147.11629	0.7
149.09621	100.0
151.07501	2.9
152.81528	0.6
159.08087	1.1
159.11674	1.0
161.09596	3.1
161.13232	1.0
165.09094	2.8
167.06992	0.6
167.75002	0.5
173.09654	1.0
175.07509	2.3
175.11047	0.7
175.14702	0.7
177.09120	3.1
177.12701	3.3
178.04996	4.2
185.13232	1.1
189.09116	2.5
189.12694	2.1
193.08636	1.1
195.10155	0.9
196.66180	0.7
203.14285	3.3
213.12737	0.9
231.13828	7.2
232.09651	4.0
249.12372	3.3
249.14819	44.4
261.88730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
Peak:m/z	Relative Intensity
55.01894	1.8
55.05521	9.5
57.03447	1.6
62.29876	1.0
67.05500	10.0
68.20399	1.0
69.03431	22.5
69.07066	2.8
71.04988	7.4
72.08160	13.5
73.02927	1.7
79.05501	13.8
81.03402	5.8
81.07066	45.3
83.04993	20.2
84.33398	1.2
85.02911	29.4
87.00836	9.7
91.05486	9.4
93.07062	16.8
95.04968	14.8
95.08585	7.2
97.02890	7.4
97.06547	15.1
99.04454	6.9
105.01877	2.8
105.07038	20.6
107.04951	4.7
107.08599	30.3
109.02885	10.3
109.06521	44.9
109.10155	7.4
111.04475	2.3
111.08108	2.3
113.06015	4.8
115.05424	1.9
117.07063	1.9
119.08574	21.4
121.06495	13.2
121.10149	15.0
123.04398	1.3
123.08067	8.0
125.06013	15.2
125.09655	1.4
127.03901	10.1
127.07560	4.7
128.06184	2.5
129.05489	1.5
129.07043	14.7
130.07809	1.7
131.08574	33.6
133.06488	5.5
133.10152	9.8
135.08075	8.3
135.11674	4.8
137.06029	1.9
137.09572	1.4
139.07573	8.7
141.07004	6.4
142.07713	1.5
143.08537	10.8
144.05736	6.2
145.05057	1.8
145.06487	8.1
145.10127	36.1
146.07185	1.6
147.08058	11.7
147.11685	16.2
149.06023	1.5
149.09619	25.3
151.07559	2.8
153.07051	2.2
156.09360	2.8
157.06483	6.2
157.10075	5.2
158.07309	1.2
159.08061	33.3
159.11691	18.7
159.21991	1.4
160.06197	1.9
161.09593	17.5
161.13234	10.8
163.07455	1.6
163.11198	15.7
165.09047	8.4
165.12692	1.9
167.07004	4.7
169.08704	4.0
170.07280	2.2
171.07999	11.6
171.11716	16.4
173.06004	2.6
173.09641	18.5
173.13278	1.3
174.05818	1.8
175.07582	5.3
175.11244	1.8
177.09344	2.2
177.12744	1.7
178.04988	4.8
185.13252	5.5
187.07524	18.2
187.11200	7.2
188.05698	2.2
189.09142	14.0
189.12732	33.8
191.10693	30.3
195.10141	1.4
198.06674	2.0
199.07515	2.3
201.12827	1.7
203.06999	4.2
203.14359	6.4
204.07898	12.7
205.08557	1.5
205.12138	2.1
205.92601	1.3
206.09364	1.5
207.13844	2.6
212.58353	2.0
213.12714	7.0
216.07756	6.2
219.10229	1.5
219.13832	2.1
221.11765	2.3
231.10088	8.3
231.13773	21.0
232.09669	2.8
249.11230	100.0
249.14867	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	249.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.4
55.72363	0.7
59.05972	0.7
65.89607	0.9
69.03428	0.8
70.06588	1.8
72.08161	34.2
75.57288	0.9
78.38258	0.9
85.02904	1.2
86.69359	0.7
93.94642	1.0
110.80219	1.0
127.03916	1.1
134.06029	15.3
150.05519	2.1
157.14192	1.4
162.05502	30.7
178.04988	44.3
190.04984	48.3
203.14784	3.4
204.10208	15.8
221.13216	1.1
232.09679	100.0
249.12337	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	249.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73546	0.4
55.05293	0.5
55.05527	9.8
55.81255	0.3
64.77306	0.4
69.03428	0.6
69.15183	0.3
70.06578	1.0
70.95275	0.3
71.93826	0.3
72.04524	3.5
72.08161	39.5
74.67965	0.3
84.08161	0.7
85.02890	0.6
86.36753	0.4
92.57941	0.4
97.02904	0.4
100.26231	0.4
106.06567	0.7
120.01968	0.4
120.08106	0.5
121.62434	0.4
127.03886	0.8
132.04451	0.7
133.02910	0.7
134.06017	15.2
150.05533	5.6
156.13870	0.8
157.14244	3.2
160.03937	0.7
160.38461	0.4
162.05498	31.8
163.03969	0.5
168.56499	0.9
176.10773	0.8
178.04994	44.2
178.50452	0.4
186.07596	0.8
186.09067	0.4
190.04993	40.2
203.14688	4.6
204.10219	14.0
212.61467	0.8
232.09688	100.0
249.12341	63.5
249.14993	2.3
265.04773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.6
55.01888	2.3
55.05530	2.2
57.03442	2.4
57.10957	0.4
60.12542	0.4
61.02945	0.9
69.03439	15.7
70.06595	0.8
71.05009	1.0
72.08163	100.0
73.02921	2.0
81.03431	9.2
81.07084	0.6
83.01389	0.5
83.84551	0.4
84.08131	0.8
84.38953	0.4
85.02917	25.8
86.09733	0.6
87.00838	16.9
97.02903	9.1
99.04483	5.1
105.01881	8.2
109.02892	6.3
127.03929	13.2
129.06885	0.4
130.97917	2.5
139.03848	0.8
145.04982	2.3
146.97415	1.7
148.98930	1.0
150.09140	0.6
151.03923	0.5
159.02866	1.9
159.04282	0.5
159.57841	0.4
161.06009	0.5
174.05515	0.6
178.05005	23.6
187.07751	0.5
190.05006	17.4
204.10225	0.6
207.03123	2.0
216.31367	0.5
231.04893	0.6
231.11220	1.0
232.09692	70.9
249.04004	0.5
249.12306	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1235
Annotation	Abbeymycin
Peak:m/z	Relative Intensity
55.05521	1.0
69.03042	0.4
70.04218	0.5
72.08159	100.0
78.93542	0.4
85.10447	0.5
148.77670	0.5
178.04990	23.3
178.06563	0.8
190.04988	20.7
223.33742	0.5
232.09676	73.3
249.12317	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81534	0.4
53.27555	0.5
56.70594	0.5
57.67573	0.5
72.08160	71.5
92.18350	0.8
108.58874	0.5
136.99202	0.6
178.04988	100.0
178.28772	0.6
183.37343	0.5
190.05014	2.5
208.34528	0.6
225.46127	0.5
232.09691	72.4
249.12331	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1125
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
50.10312	0.4
52.27358	0.4
52.89123	0.5
54.14349	0.4
69.03420	1.0
80.17218	0.5
85.02901	0.9
87.00819	1.0
91.05471	1.3
107.04943	1.1
115.05428	1.1
117.06984	2.6
121.06456	0.6
127.03873	0.7
128.06250	4.8
129.07013	14.7
131.08571	17.4
133.06462	3.1
133.10139	0.9
141.06946	4.3
142.07782	1.2
143.08554	3.9
144.05667	5.0
145.06523	4.8
146.07259	2.4
153.07036	1.3
156.05794	0.9
157.06500	8.5
158.07281	1.2
159.08052	38.7
161.05934	1.3
161.09641	7.7
167.07112	0.9
169.06415	1.0
169.07687	2.2
170.07300	7.7
171.08032	8.4
172.05197	1.4
173.06010	4.5
174.06708	2.8
175.07593	2.5
178.06247	0.6
187.07544	21.7
188.08330	2.4
189.05447	1.2
189.09138	9.7
193.08591	0.7
198.06772	2.6
199.07596	3.2
201.05418	0.8
203.07031	3.0
204.07848	16.6
205.08565	1.3
206.09451	0.8
216.07805	5.2
218.09410	1.0
219.10153	1.4
221.08125	1.1
221.11734	3.6
231.10159	8.1
234.08788	0.8
249.11221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01866	0.3
55.05492	0.3
67.05486	0.5
69.03434	3.2
70.31482	0.2
70.58581	0.2
71.04976	0.3
73.46720	0.2
79.05450	0.4
81.03403	1.3
81.07065	2.5
83.04965	1.2
83.98904	0.2
85.02901	3.2
87.00814	1.4
87.57648	0.3
91.05488	2.3
93.07043	1.0
94.34187	0.3
95.04942	1.4
95.08578	0.4
97.02892	1.4
97.06503	0.6
99.04459	0.5
105.01848	0.4
105.07053	2.8
107.04952	1.5
107.08566	1.5
109.02877	1.3
109.06494	1.8
113.05962	0.3
115.05435	1.4
116.06232	0.3
117.07014	2.3
119.08554	1.6
121.06498	0.4
121.10126	0.7
123.08028	0.3
125.05971	0.4
127.03906	1.9
127.61342	0.3
128.06233	4.8
129.07004	13.9
130.07782	0.2
131.08569	17.0
132.05670	0.3
133.06485	2.5
133.10127	1.8
141.07004	4.2
141.98180	0.2
142.07736	1.5
143.08565	4.5
144.05701	4.3
145.06467	4.5
145.10106	2.1
146.07265	1.6
147.04385	1.3
147.08055	1.2
147.11656	0.6
149.09599	1.6
153.06985	2.0
155.05943	0.9
156.05717	1.1
156.09363	0.3
157.06491	7.5
157.07753	0.3
158.07243	1.8
159.08051	30.9
159.11691	0.6
161.06000	1.9
161.09621	8.6
161.13300	0.3
163.11214	0.5
167.07042	1.1
169.06412	1.2
169.07597	2.9
170.07243	5.2
171.08017	5.9
171.09331	0.4
171.11647	0.4
172.05214	2.0
173.06021	2.8
173.09566	1.3
174.06750	2.4
175.07518	3.2
178.06285	0.5
185.05936	0.4
186.06808	0.4
187.07550	19.4
188.08339	1.6
189.05458	1.3
189.09102	10.0
189.10535	0.3
189.12645	2.1
190.06258	1.3
191.07050	0.6
191.10602	1.1
193.08601	0.6
198.06747	2.3
199.07544	3.1
201.05428	1.3
203.07050	4.9
204.07822	13.7
205.08600	1.7
206.09373	1.7
216.07822	4.3
217.08559	1.9
218.09352	1.8
219.10141	1.6
219.13884	0.4
221.08078	1.5
221.11665	2.8
231.10162	8.0
231.13788	1.4
234.08868	1.7
249.11203	100.0
260.28625	0.3
260.53091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45638	1.0
55.05519	1.9
57.03443	10.7
59.04998	2.8
61.02938	25.2
64.06551	1.0
69.03435	97.9
70.06596	7.9
71.05003	2.6
72.08158	21.4
73.02903	6.3
81.03434	7.3
84.08138	1.7
85.02902	45.8
86.06043	2.1
87.04472	72.2
96.08125	2.9
97.02897	7.8
98.06075	1.3
99.04461	23.6
100.02203	7.2
103.03947	100.0
105.05508	1.5
109.02874	5.7
110.07183	1.6
115.03931	12.9
123.07758	2.3
123.08631	60.9
123.57208	6.2
125.02361	2.3
127.03919	45.3
129.05478	60.2
130.04964	1.6
131.08369	25.1
131.99385	24.1
132.95844	2.4
133.02846	1.5
133.04962	2.7
143.00169	2.8
145.04987	1.7
147.06529	98.0
156.07663	1.9
158.09624	1.8
168.10254	1.4
174.12738	1.8
178.04996	21.0
186.12810	1.7
189.05444	1.5
189.07565	2.1
197.03008	1.3
203.03044	3.0
203.14720	1.7
204.10274	5.7
213.07487	9.3
217.07054	1.8
231.00781	8.3
232.09761	14.9
245.16486	34.1
249.03598	7.0
249.09920	2.2
249.12360	17.7
249.14824	2.1
261.15970	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	249.0757
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
51.93770	1.3
52.77291	1.1
59.46469	1.2
68.68590	1.2
69.03450	9.5
69.29563	1.3
74.66647	1.3
81.03416	6.8
85.02919	10.2
87.00822	6.9
88.85178	1.2
91.05473	5.8
97.02893	2.0
99.04467	2.3
103.05420	1.7
109.02895	2.5
115.05449	15.3
116.64484	1.5
117.07018	70.1
121.10192	1.5
127.03931	7.5
129.06912	1.7
143.04939	2.1
145.06490	100.0
155.06046	25.4
157.02632	1.4
159.04393	16.9
161.05988	3.1
163.92685	1.5
171.04393	8.6
172.05215	3.2
173.06001	25.0
187.03983	2.1
189.05472	45.8
190.06245	2.3
199.05148	2.5
217.04962	58.0
231.06538	10.7
234.05240	1.9
249.07555	29.2
249.18570	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	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.3
55.01876	2.5
55.05519	4.9
57.03440	8.5
59.34420	2.1
61.02932	4.8
64.82133	2.1
65.00816	2.0
67.05505	2.2
67.38210	1.7
67.64873	1.8
69.03439	63.2
69.07077	52.8
69.94336	1.9
71.04991	9.5
72.08150	14.2
73.02899	4.2
73.59523	1.9
74.40527	1.9
81.03430	44.5
81.07055	3.2
85.02914	100.0
87.00840	61.9
87.04466	2.7
97.02892	40.1
98.97587	18.1
99.04456	24.6
105.01862	23.4
105.07027	3.1
107.08576	3.4
109.02876	38.3
109.10217	2.6
112.99168	4.0
116.98608	2.3
119.08581	2.5
127.03920	62.3
129.01897	4.0
134.49265	2.0
145.04926	8.6
158.99643	8.2
159.02930	3.7
171.11728	2.2
173.01208	14.2
173.49161	2.2
177.00748	3.7
178.04999	15.3
184.97479	2.6
191.02263	3.9
201.00720	3.2
202.98853	3.3
231.05037	2.6
232.09683	10.3
244.99648	9.9
249.12579	7.7
249.18591	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	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00700	0.5
53.03959	5.0
55.01885	5.5
55.05518	0.9
56.98292	0.5
57.03448	8.2
61.02938	7.5
68.99792	3.7
69.03436	62.8
69.07076	5.6
71.01340	0.8
71.05000	8.3
72.08156	0.8
73.02917	6.0
81.03429	38.3
81.07060	1.1
83.01350	1.2
85.02911	100.0
87.00836	61.3
87.04467	2.7
91.03954	1.4
93.07049	1.1
97.02895	46.7
98.97597	2.6
99.04460	23.6
101.02378	1.1
105.01875	29.9
107.08584	0.8
108.69806	0.7
109.02889	31.6
115.03906	1.4
119.08607	1.1
121.10105	1.6
127.03918	60.5
129.01833	4.3
133.10104	0.9
145.04961	10.6
147.02953	1.3
156.27168	0.6
158.99747	0.8
159.02884	5.7
171.02837	0.8
173.01149	1.2
178.05014	0.8
189.03900	0.8
213.04028	1.0
213.12718	0.9
231.04976	4.6
231.13860	1.1
249.11046	3.7
249.14868	1.3
249.18411	1.2
249.22498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.8964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33020	0.6
58.32040	0.7
79.56300	0.8
93.65000	0.8
94.93016	100.0
104.79779	0.9
122.97100	1.0
150.91936	4.5
186.99492	0.8
206.88591	21.1
248.89651	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	248.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35031	0.6
55.05507	0.8
70.16025	0.7
71.04996	10.6
72.08151	1.6
86.09714	0.8
92.17766	1.7
117.03416	1.2
145.02852	26.0
147.04407	0.9
170.08142	1.0
177.05460	100.0
178.04976	36.0
207.03267	7.1
218.96922	0.9
225.04355	4.1
248.09169	61.1
248.12837	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
72.08169	0.4
84.08144	0.3
86.09688	1.2
89.03928	1.0
98.61832	0.2
100.77555	0.2
105.07059	0.2
117.03380	1.0
121.06596	0.2
134.03627	0.3
135.04414	1.1
145.02861	1.6
149.06020	1.6
149.06995	0.2
151.50232	0.2
156.08073	0.3
163.03909	5.4
168.13780	0.2
176.07018	0.4
177.05472	100.0
186.14909	0.8
207.03314	0.3
248.12819	50.9
248.18362	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1281
Annotation	Securitinine
Peak:m/z	Relative Intensity
72.08160	0.6
78.08168	0.4
97.58463	0.4
117.03376	1.9
129.24759	0.4
145.02846	23.2
146.14482	0.4
154.14091	0.4
163.03897	0.7
177.05466	100.0
178.04977	2.8
248.09221	5.6
248.12802	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1281
Annotation	Securitinine
Peak:m/z	Relative Intensity
54.16684	0.3
55.05503	0.9
57.55134	0.4
68.83009	0.4
70.06607	0.5
71.04981	2.1
72.08140	1.1
82.78869	0.5
89.03912	0.7
98.06017	0.6
107.53070	0.5
117.03358	1.1
121.06496	0.6
129.06932	0.4
131.15460	0.6
145.02852	22.8
149.05952	0.5
156.07889	0.5
157.08452	0.9
177.05467	100.0
178.04993	6.4
207.03152	0.5
216.06476	0.5
231.06468	1.0
233.12602	0.6
248.09178	12.5
248.12827	59.2
248.21251	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	248.114
Annotation	Debromodispacamide B
Peak:m/z	Relative Intensity
50.94775	0.2
51.41660	0.3
57.08829	0.2
59.99118	8.3
88.02219	46.1
89.50858	0.3
90.25110	0.3
103.88055	0.3
116.05317	100.0
121.23006	0.3
127.67493	0.3
129.72217	0.3
144.38966	0.3
148.02525	2.7
177.93532	0.3
210.24484	0.4
248.11363	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0321
Annotation	Pyridoxal phosphate
Peak:m/z	Relative Intensity
61.24708	3.6
72.08157	9.6
73.08509	9.5
77.52269	4.4
85.02868	8.4
88.18146	4.5
104.10763	5.4
156.13826	9.5
202.14394	19.9
230.10353	4.1
248.03198	100.0
248.11264	8.4
248.14943	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	248.0921
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
53.00325	0.1
55.05502	0.2
57.16923	0.1
57.92920	0.1
60.01905	0.1
70.06591	0.3
71.05001	15.0
72.08168	1.5
82.19831	0.1
84.08131	0.7
85.02893	0.3
86.09676	0.2
92.17828	0.4
98.06040	0.3
104.57127	0.2
108.04478	0.4
121.06521	1.6
125.08022	0.2
141.33345	0.2
146.06058	0.2
148.67938	0.2
149.06058	0.2
159.06775	0.8
177.05463	0.7
178.05000	55.5
202.08612	2.2
220.15257	0.3
241.33600	0.2
248.09184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1443
Annotation	Hypaphorine
Peak:m/z	Relative Intensity
51.72855	0.3
52.38987	0.3
54.90094	0.4
60.08172	13.0
68.52607	0.3
72.08102	0.4
73.07647	0.3
91.05520	0.4
118.06526	2.2
120.08142	2.4
129.94295	0.3
130.06509	2.7
132.08093	0.6
144.08073	6.9
145.08853	0.8
146.06021	18.8
146.09691	0.7
148.11159	0.5
156.08107	1.5
158.09668	3.6
160.11215	0.5
170.06007	0.8
170.09639	2.3
171.10437	1.7
172.11214	0.8
174.12814	1.2
176.07127	0.8
184.07584	0.5
184.11279	2.5
186.12802	5.1
187.12315	5.3
188.07068	26.9
188.13042	0.5
200.10701	0.6
203.15443	2.3
204.10190	2.2
212.10689	4.4
216.10046	0.5
218.11774	1.6
229.13380	1.4
230.11768	2.8
232.12050	1.4
247.14415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96636	0.2
53.29335	0.2
53.54929	0.2
55.05512	0.2
65.87973	0.2
68.99767	0.2
69.03420	0.2
70.06581	0.3
71.00549	0.2
72.08144	1.3
74.06070	0.2
79.05473	0.2
84.08134	0.4
85.02910	1.5
86.03270	0.3
86.09703	0.3
91.05492	0.3
95.08597	0.2
100.07599	1.0
101.10776	0.3
102.05514	0.5
105.07022	0.4
107.08612	0.3
116.06217	0.2
120.08132	1.5
122.49535	0.2
128.09877	0.2
129.07022	1.2
130.06570	0.3
131.07297	0.3
131.08554	1.9
143.07312	0.3
144.08089	41.7
145.10153	0.3
146.05991	0.4
146.09663	9.8
147.04460	0.5
158.09653	3.6
159.08057	3.2
160.07631	0.2
160.11314	0.3
162.09132	5.0
170.09613	0.3
172.07550	3.1
176.10704	2.9
186.09167	1.4
186.11462	0.3
187.07565	1.5
188.07077	2.2
190.08632	100.0
201.13991	0.7
204.07805	0.3
214.11012	0.3
215.07069	0.3
216.10133	0.3
217.08620	0.9
229.09816	0.2
229.13422	2.6
230.08202	0.3
232.12079	0.8
247.09920	2.3
247.14439	13.2
247.17081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03957	1.6
55.05516	1.2
61.02237	1.3
69.03432	17.2
71.98183	1.2
79.05507	1.6
81.07057	3.3
83.04979	15.8
91.05470	5.7
93.07030	7.9
95.04956	1.5
97.02872	8.1
105.07055	6.4
107.08617	10.1
109.02883	18.2
109.06526	8.6
109.10149	1.4
111.04433	3.0
119.08588	11.3
121.02830	2.7
121.06514	17.7
121.10135	3.2
129.07013	1.6
131.08606	13.0
132.05746	1.4
133.10124	7.9
135.08057	25.7
137.05966	2.7
137.09586	1.6
138.94421	1.3
139.03882	1.5
141.07008	2.1
143.08597	2.1
144.09354	2.4
145.06505	10.4
145.10150	7.1
147.08067	4.7
149.09615	20.9
151.11118	3.2
158.10956	9.4
159.08032	12.8
159.11696	29.0
159.12988	2.1
160.08824	5.0
161.09627	3.1
163.07533	22.1
168.09273	1.8
169.10120	1.7
170.10849	2.5
171.08078	1.9
172.08817	10.8
173.05971	2.4
173.09634	27.9
173.13249	44.6
183.11714	8.8
186.10413	16.9
187.07623	3.1
187.11185	100.0
188.03915	1.3
189.08980	1.6
191.07019	33.0
196.08861	6.2
201.12750	61.3
203.14293	1.6
205.12234	8.7
211.11220	12.7
214.09941	1.9
214.29128	1.4
219.13850	5.7
229.12244	62.1
247.07465	2.1
247.10677	2.3
247.13278	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
51.87483	1.0
63.70317	1.4
67.05509	2.1
69.03427	4.5
71.31448	1.1
79.05521	9.9
79.38682	1.3
81.07075	15.6
83.59492	1.2
91.05492	5.0
93.07072	11.9
95.04969	1.8
95.08602	3.1
105.07027	13.9
107.04973	2.2
107.08573	8.2
109.06544	4.4
113.02347	1.8
117.07048	2.6
119.08578	11.2
121.06512	14.3
123.08086	18.8
131.08578	22.1
133.10138	27.4
135.08084	3.0
141.06984	2.1
143.08492	2.7
145.06436	3.1
145.10109	10.1
146.07327	2.0
147.08008	5.6
155.08524	1.7
157.10098	6.5
158.10968	2.3
159.08061	16.9
159.11697	52.8
161.08398	2.5
161.09616	38.0
163.07512	1.7
168.09361	2.1
169.22490	1.3
172.08792	2.2
173.09569	6.3
173.13260	45.2
175.14709	1.9
183.11729	18.1
185.13277	2.4
187.07597	2.9
187.11192	6.2
201.12758	74.7
205.12381	4.8
211.11182	2.8
219.13808	20.2
229.12212	19.4
242.93359	1.5
247.13295	100.0
250.32043	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	247.1292
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
55.05526	0.9
56.05051	9.8
58.06619	0.9
61.01149	3.1
65.18479	0.7
69.07074	10.3
70.02982	5.3
70.06601	6.2
71.17683	0.8
72.08157	3.7
79.05528	1.0
81.99281	0.7
84.04505	1.8
84.08140	0.8
85.04040	2.7
86.09714	100.0
87.55268	0.7
88.04002	58.5
91.36298	0.8
91.60753	0.8
94.74812	0.7
98.02437	6.0
99.00802	0.8
100.03963	0.7
100.11231	0.9
102.09183	0.8
104.05347	17.5
110.02402	12.1
113.10793	6.5
116.07100	24.4
116.07925	1.0
117.74216	0.7
124.03983	2.9
130.04996	4.9
132.10216	64.6
138.09135	1.6
141.10236	30.1
155.11829	1.7
156.10188	6.2
162.87500	0.8
166.08635	23.7
167.09055	0.9
182.05640	0.9
183.11272	9.2
184.09714	3.1
187.10802	12.2
199.10886	1.2
201.12355	45.6
211.10823	1.0
212.09178	16.3
229.11847	7.6
243.20992	0.8
246.15814	0.8
247.10687	5.3
247.12903	11.0
247.16748	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	247.108
Annotation	Hyrtioerectine B
Peak:m/z	Relative Intensity
50.71380	0.4
55.01889	0.5
55.05526	0.5
58.72585	0.4
64.67954	0.4
66.93095	0.4
72.08167	3.7
74.02444	3.4
81.07051	0.5
82.85168	0.4
83.83665	0.5
85.02899	0.5
86.09713	2.8
93.53882	0.5
117.06987	0.7
117.47374	0.5
118.06514	0.7
119.08551	0.5
119.82351	0.6
120.08176	0.7
123.20683	0.5
129.07007	6.1
130.06529	10.3
132.08096	8.3
143.07310	0.6
143.21426	0.6
144.08087	11.2
146.06010	10.3
146.09657	0.6
153.17567	0.5
156.08095	100.0
158.09679	2.5
159.08049	1.8
160.07561	7.4
168.08098	5.5
170.05997	14.6
172.07635	0.4
174.09138	19.7
183.06895	0.6
183.09190	3.3
184.07585	9.3
186.09129	0.6
188.07056	13.9
201.10344	3.5
202.08620	6.5
212.06937	3.7
217.08824	0.6
229.06439	0.5
229.09747	8.8
230.08124	23.7
232.12134	0.7
238.11850	1.0
247.07492	1.0
247.10786	15.5
247.14407	12.0
247.16905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27179	0.2
57.07081	3.8
62.06048	0.3
66.05733	0.2
66.74722	0.3
70.06595	5.2
71.08628	1.2
85.10162	1.0
88.07101	0.5
88.07632	13.3
89.95594	0.3
102.09186	4.1
106.08671	8.6
107.46549	0.3
202.21680	1.1
214.86032	0.3
217.86433	0.3
228.23236	9.2
246.24272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73436	0.3
57.07078	4.4
57.64243	0.4
58.06599	4.2
63.86809	0.4
64.17076	0.4
70.06616	0.9
71.08624	2.9
78.13382	0.5
83.08605	0.4
85.10186	1.7
88.02182	0.5
88.07648	2.0
91.46751	0.4
91.52584	0.5
102.09219	0.7
106.08686	2.0
116.05331	0.7
123.79505	0.4
156.08078	0.6
172.87866	0.5
181.97749	0.5
184.20609	100.0
228.23164	1.9
246.09843	1.7
246.24272	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10553	0.2
50.82236	0.2
51.43213	0.3
51.60689	0.2
57.07077	3.8
70.06291	0.3
70.06593	5.6
71.08619	1.7
85.10201	1.1
88.07107	0.4
88.07633	12.4
95.62357	0.3
102.09176	3.7
106.08672	9.7
166.05302	0.3
184.16930	0.4
202.21660	1.2
228.23210	7.9
240.70222	0.3
246.24265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82172	0.5
54.53777	0.5
56.05037	0.8
57.07075	4.3
58.06596	4.1
59.15626	0.7
68.50481	0.6
71.08627	1.2
74.06085	4.5
81.07069	1.0
83.07883	0.6
83.84925	0.7
85.10168	0.9
88.07570	0.8
95.00478	0.6
97.06518	2.5
102.09199	0.6
105.07018	0.8
106.08734	0.6
116.05300	1.5
150.04091	0.8
175.84055	0.6
184.20610	100.0
194.08913	0.6
227.92558	0.7
228.23294	1.1
246.09824	4.0
246.15678	1.4
246.24272	84.6
266.58118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76175	0.7
57.91144	0.6
60.05651	7.8
61.04040	0.9
67.05499	1.9
70.06564	1.1
72.05647	59.0
77.81093	0.6
81.07056	4.5
84.05626	1.8
87.86994	0.7
89.47413	0.7
90.51250	0.8
91.05489	1.3
93.07036	5.1
94.06566	5.8
105.07023	4.3
107.08597	3.5
108.47293	0.7
109.10168	8.2
110.07154	1.4
111.05575	1.4
114.33794	0.8
119.14962	0.8
121.10132	1.4
123.11716	1.3
133.10130	8.8
142.09799	0.9
149.68105	0.7
150.12796	5.0
151.11159	1.7
168.13947	1.0
182.11777	1.0
191.65269	0.8
192.14977	1.3
193.13358	1.2
210.16014	8.7
228.17084	13.1
246.18137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1702
Annotation	2-Methylbutyroylcarnitine
Peak:m/z	Relative Intensity
50.51299	0.2
51.66819	0.2
57.03442	0.5
57.07092	1.9
58.89422	0.3
60.08173	7.8
66.10652	0.3
71.46743	0.3
71.76604	0.3
72.08139	0.3
85.02914	100.0
85.06534	2.6
144.10266	2.1
144.11192	0.3
165.07712	0.3
183.84740	0.3
187.09653	10.8
187.11279	0.4
246.17001	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63830	0.2
54.92364	0.2
56.24368	0.2
57.03434	0.4
57.07089	1.5
60.08174	8.1
60.22055	0.2
61.89071	0.2
63.69812	0.2
68.05051	0.2
70.06580	0.3
85.02912	100.0
85.06543	2.8
86.09706	0.4
87.10064	0.2
88.02230	0.8
92.18316	0.3
97.06545	1.4
105.51186	0.3
116.05331	1.4
136.17671	0.2
144.10179	2.3
145.19931	0.2
150.04164	0.3
162.05432	0.3
177.05496	0.4
187.07976	0.4
187.09659	12.2
198.11258	0.2
207.06531	0.3
210.14880	1.3
218.08014	0.3
228.12207	0.3
228.15892	1.7
246.07504	0.5
246.09743	3.7
246.17007	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1456
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
55.05518	2.7
56.56662	1.5
58.06606	1.8
60.05652	6.3
67.05514	14.1
69.07077	43.8
70.02950	9.2
70.06597	9.2
71.05000	17.3
72.08155	11.6
72.71749	1.6
73.46664	1.4
74.02445	7.6
74.06079	2.5
82.06564	1.8
83.05016	6.2
84.04501	10.7
84.05293	2.2
84.08136	10.4
84.37113	1.8
85.02908	3.9
85.04057	12.2
86.09715	59.6
87.05601	59.8
88.03986	10.8
95.04972	3.2
95.06072	3.9
95.08621	3.8
96.08118	3.9
97.06512	2.9
98.02429	30.0
100.07642	2.3
104.07114	11.1
110.02415	31.4
112.70053	1.7
113.06016	2.0
113.10772	12.5
115.07568	8.3
115.08690	9.6
115.09419	1.7
116.03439	3.0
116.05313	7.0
116.07077	4.0
119.08534	6.4
121.27038	1.6
124.03952	16.7
124.07616	2.0
126.05534	2.2
129.10260	3.0
130.08630	1.6
132.10188	22.4
134.04491	22.9
141.10240	100.0
143.07066	3.3
143.08182	3.3
144.07390	9.2
145.90665	1.7
154.12263	18.4
155.11771	14.2
156.10303	2.1
166.08638	99.9
169.09714	6.8
171.10075	2.1
182.11740	3.1
183.11301	13.7
187.10777	54.5
192.06503	2.7
200.12633	73.7
200.14240	9.3
204.06665	3.8
212.09181	85.3
228.08836	2.4
228.12210	3.5
228.13559	1.6
229.11815	48.9
234.06770	1.6
246.02669	1.8
246.11203	6.1
246.13242	39.1
246.18472	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	246.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18093	0.4
53.03952	2.3
55.05511	1.1
56.05024	0.9
57.25718	0.4
60.04523	2.1
60.79316	0.5
66.64790	0.4
67.05502	0.6
68.05035	1.1
69.03437	0.9
69.07073	0.9
70.06579	2.5
72.08169	5.3
73.91877	0.5
80.05028	5.6
81.03411	3.1
84.04517	18.8
84.08147	3.4
85.06543	7.6
86.09711	21.3
87.04495	0.6
87.05601	5.1
88.04008	0.6
92.18453	1.1
96.04496	4.6
98.06069	20.6
101.06053	1.1
103.03944	1.9
107.08598	0.5
108.04489	30.2
109.02905	10.2
114.10280	1.0
115.05058	2.8
115.08673	0.8
115.10598	0.6
124.03974	1.1
126.05521	100.0
127.03972	1.1
129.10295	0.8
130.08649	1.8
132.10219	10.2
138.05504	27.8
140.10739	0.6
143.11784	5.6
144.06544	3.5
147.11266	2.0
150.05518	1.8
166.21793	0.6
168.06558	30.5
168.10205	0.7
169.14172	2.4
186.07652	3.6
187.10873	0.6
189.12422	3.0
194.56422	0.5
200.07042	0.5
204.12358	1.1
210.07666	1.1
211.16434	2.2
228.08667	4.2
228.12183	1.1
228.16121	0.6
246.09712	4.1
246.14902	7.8
246.17329	1.0
246.20210	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	246.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
72.62314	0.9
93.77181	0.8
100.87173	0.9
112.36198	0.8
129.07016	27.9
130.06544	6.0
146.05991	1.2
150.89319	0.9
151.86829	0.9
154.06502	23.1
155.07288	8.4
156.08095	100.0
158.06015	6.6
166.06473	6.8
172.07544	9.9
174.05510	5.7
182.05992	12.8
183.06783	5.3
184.07585	74.2
200.07077	84.7
202.08655	2.1
203.14432	1.0
210.05516	34.5
228.06569	63.2
246.07603	32.4
246.09879	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	245.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.7
56.96568	4.1
60.05648	2.2
65.35637	0.8
69.07071	5.6
70.06595	3.8
72.08160	20.8
76.59196	0.8
83.04975	3.6
84.04504	1.1
84.05642	19.2
85.05374	1.1
85.05961	7.3
89.10763	1.4
94.35653	0.8
96.08124	2.2
97.05972	1.2
97.07656	1.8
98.06044	3.7
102.54358	0.9
114.09141	6.7
114.10296	28.9
115.07558	1.3
115.08706	7.7
124.07598	1.3
126.09172	6.8
127.03922	1.5
127.97532	0.9
128.03844	4.0
130.01767	7.3
131.12921	1.0
132.84511	0.9
143.07051	2.2
146.04959	1.7
148.02803	4.1
149.41084	1.1
158.04874	1.3
167.15443	11.6
168.13846	38.9
174.04391	2.0
174.12796	4.1
176.06038	2.1
179.13773	1.7
185.13660	6.8
185.16515	3.8
186.14896	12.4
192.05545	2.3
194.37927	1.3
202.12839	1.0
204.00060	1.0
210.16017	50.4
211.14430	8.0
217.16898	1.4
222.01077	8.7
225.14294	4.8
227.14807	14.2
228.17116	1.2
238.64012	0.9
240.02109	11.9
245.16753	38.2
245.19759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
54.24058	0.1
64.78733	0.1
70.06616	0.6
71.61811	0.1
82.09098	0.1
84.08150	1.0
86.09713	100.0
96.08115	0.3
102.85050	0.2
109.54691	0.1
117.38461	0.1
132.10214	3.6
174.12807	0.2
182.15390	0.3
199.18036	1.4
227.11920	0.7
227.15485	0.2
231.01013	0.2
245.05219	0.2
245.13008	1.4
245.16452	2.1
245.18706	5.2
269.42871	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	245.165
Annotation	5,6-Dehydromultiflorine
Peak:m/z	Relative Intensity
55.05529	0.6
58.06610	3.9
60.08161	0.6
68.05030	0.7
70.06603	14.5
72.08156	3.6
73.08472	0.8
82.06583	0.7
83.04999	0.8
84.05608	1.2
84.08145	2.6
86.26359	0.5
94.06583	1.1
96.08138	22.1
102.09176	0.8
110.07367	0.5
110.09634	0.9
112.05106	3.1
113.03513	7.8
113.05452	1.1
113.08934	0.5
118.06520	0.9
120.08154	3.7
124.07574	1.0
128.07086	2.7
132.08096	2.4
141.04839	1.2
142.05199	1.2
143.07047	0.6
144.08105	2.0
146.09647	1.3
158.09633	2.9
159.10460	0.6
160.11220	1.0
170.09576	0.7
173.27475	0.5
174.12790	21.7
183.31902	0.6
184.11287	1.1
186.12802	6.8
188.10773	3.0
192.06631	0.6
193.77667	0.6
195.11647	0.5
196.11295	0.6
199.10844	1.3
201.12433	0.7
202.12306	0.8
212.13104	3.0
217.17039	3.3
227.15520	9.3
233.74754	0.6
245.16528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.165
Annotation	5,6-Dehydromultiflorine
Peak:m/z	Relative Intensity
58.06615	4.9
61.17569	0.3
62.06108	0.3
68.05038	0.4
69.07059	0.5
70.06245	0.5
70.06597	12.8
72.08148	0.4
79.05476	0.4
84.05618	2.1
84.08143	1.6
84.55904	0.3
85.05949	0.6
94.06555	1.7
96.08134	22.7
98.91242	0.3
101.08764	0.3
108.08097	0.4
110.09676	1.3
114.09259	0.3
114.10264	0.6
118.06538	0.7
120.08113	4.0
123.04435	0.5
124.04735	0.7
124.07585	0.7
128.06186	0.4
130.06534	0.4
132.08066	2.1
138.09131	0.7
138.20010	0.3
139.03899	1.3
144.01073	0.4
144.08067	2.0
145.08795	0.5
146.09630	0.8
158.09648	2.8
160.11238	1.8
163.35316	0.3
166.05638	0.5
168.13828	0.7
170.09662	0.5
173.08374	0.5
174.12776	20.8
182.33028	0.3
183.10399	0.4
184.11208	2.2
186.12778	5.7
188.10699	4.6
196.11235	1.5
202.12274	1.3
210.16002	0.6
212.13065	2.6
214.12375	0.5
217.17003	4.0
221.98743	0.6
225.14096	0.5
227.15459	8.0
239.99945	0.8
245.16492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1538
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
53.03965	2.1
55.01870	2.3
55.05510	9.1
56.88474	1.6
57.07096	2.6
64.94247	2.0
67.05500	9.8
69.03432	5.3
69.07091	4.7
71.05004	5.0
77.16105	2.4
79.05505	32.6
81.07067	37.5
83.04996	50.7
91.05486	10.7
93.07044	18.3
95.04975	26.8
95.08612	12.7
97.06538	4.7
105.07043	28.8
107.04974	3.6
107.08623	27.8
109.06516	29.2
109.10207	6.7
111.04463	31.1
111.08060	2.7
117.06990	2.8
119.08575	24.2
121.06504	13.5
121.10149	26.8
123.08072	11.2
125.09618	5.2
129.06972	2.6
131.08542	8.9
133.06497	3.4
133.10155	36.5
135.08051	19.4
135.11700	10.1
136.08807	2.5
137.09621	33.3
142.07822	3.2
143.08578	20.6
144.93550	2.3
145.10132	18.2
146.07228	3.5
147.08047	17.4
147.11700	5.1
149.09627	42.2
151.11189	4.1
155.08502	2.6
156.09317	3.2
157.10077	24.6
159.08003	3.5
159.11722	8.4
161.09625	69.3
162.10408	3.6
163.11148	7.8
169.10086	4.8
170.10881	4.5
171.07999	3.4
171.11659	8.1
173.09598	3.4
173.13298	10.0
175.11194	10.4
175.14771	7.8
177.86461	2.5
184.12465	4.8
185.09698	2.8
185.13286	12.4
187.11220	4.7
189.12837	2.9
199.14825	7.5
201.12703	17.3
203.14308	4.2
209.13300	2.1
217.15929	8.4
227.14282	9.6
238.21761	2.4
245.12932	3.7
245.15373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1386
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.09647	5.9
55.05513	31.1
57.03444	17.4
67.05494	8.8
69.07059	10.0
74.78672	6.6
81.07089	6.9
83.05018	7.7
83.08624	35.7
87.81377	7.4
97.10180	100.0
107.08621	13.7
114.62412	6.3
116.95165	11.2
119.85796	6.8
125.09634	71.0
177.53600	8.6
189.11249	41.3
245.08064	44.6
245.13908	64.2
245.16251	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	245.1538
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
55.05519	8.0
67.05492	6.9
67.50863	3.2
69.03419	4.3
71.04991	4.5
79.05500	29.3
79.05900	4.7
81.07072	42.2
83.05000	60.7
91.05482	8.4
93.07056	16.7
95.04980	24.2
95.08623	9.6
105.07012	34.8
107.04943	8.3
107.08602	23.2
109.06523	33.6
109.10132	4.2
111.04432	34.4
111.08041	5.0
116.95201	9.4
119.08614	29.5
121.06540	14.0
121.10148	37.0
122.07294	4.9
123.08089	6.3
125.09614	5.5
131.08563	4.5
133.10147	37.8
135.08055	18.0
135.11711	6.2
137.09621	26.1
142.03227	7.7
143.08566	21.7
145.10115	16.1
147.08067	18.9
147.11749	4.8
149.09641	39.8
157.10118	21.3
159.08040	5.0
159.09169	4.3
159.11740	4.7
161.09631	67.7
170.10878	6.5
171.11659	8.5
173.13292	5.9
178.39101	3.6
180.95500	5.1
184.12578	4.7
185.13269	8.2
187.11241	4.8
194.11041	5.1
201.12837	20.0
209.13283	4.3
227.14302	6.6
245.15266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1388
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.03961	0.9
55.01866	4.6
55.05524	36.9
57.03450	20.3
57.45209	0.9
67.05510	16.3
67.90316	1.1
69.03432	8.2
69.07082	8.5
77.55756	1.0
79.05499	11.7
81.07076	14.4
83.04984	2.7
83.08195	1.7
83.08633	35.8
86.09715	2.3
93.07037	6.4
95.08587	1.9
97.10179	100.0
107.07990	1.5
107.08616	30.3
109.10139	5.1
111.08073	2.5
117.07005	1.3
125.09641	85.6
132.08073	1.3
135.08052	8.9
142.03131	1.8
143.10652	4.5
144.08134	9.9
145.10165	1.1
153.09116	5.7
157.10225	1.4
159.09090	4.0
171.10182	16.2
171.11548	2.0
185.07076	1.7
187.14848	1.6
189.11226	59.2
198.75049	1.3
202.96786	1.2
227.12721	16.8
245.04507	5.1
245.13812	71.0
245.19077	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	245.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82909	0.6
51.07009	0.6
52.33558	0.6
60.06974	0.6
67.05502	1.5
69.07069	1.1
74.75542	0.6
79.05000	0.6
79.05505	0.7
81.07053	0.7
85.06567	0.7
86.09715	8.7
87.00858	0.7
93.07064	2.8
95.08614	3.4
109.10161	1.3
113.09657	0.9
117.05779	0.9
118.06506	1.1
125.99396	0.7
130.06541	6.4
132.08096	29.0
142.06497	3.3
144.08115	2.7
149.13303	1.4
156.08139	4.7
157.07622	3.3
157.10110	0.7
158.08400	4.4
159.09177	100.0
160.07561	6.6
168.06755	0.7
168.08011	5.1
170.06021	2.9
170.09641	12.6
171.09262	0.9
182.09625	1.6
183.09184	0.9
184.07599	16.0
185.07106	42.8
186.09050	0.8
189.66547	0.7
198.09207	1.2
199.08612	3.1
200.07062	6.9
201.10184	12.3
206.67487	0.8
209.07187	1.3
213.43143	0.7
214.71133	0.7
216.10213	19.3
227.08145	40.2
228.10194	16.1
233.91351	0.7
245.09241	21.9
245.12987	4.4
245.16670	1.2
245.18958	1.5
257.51749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0923
Annotation	Brunnein A
Peak:m/z	Relative Intensity
51.43847	0.6
62.54176	0.6
62.90281	0.5
73.83345	0.6
87.00845	0.7
118.06480	0.9
127.59544	0.7
130.06519	2.9
132.08095	26.4
135.05019	0.7
142.06494	2.5
156.08089	4.7
157.07632	4.4
158.08401	4.4
159.09167	100.0
160.07581	7.2
170.05962	2.6
171.06819	0.6
181.07561	1.2
183.09193	0.8
184.07579	15.5
184.09122	1.0
185.07098	39.8
199.08690	2.3
200.07112	7.2
201.10216	12.1
209.07191	1.2
227.08139	34.6
245.09186	22.0
245.11664	1.2
246.09988	0.7
256.03409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.6065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57138	0.8
55.98206	0.8
58.06591	1.0
67.14148	0.9
75.80017	0.8
81.04551	1.7
82.04211	11.2
84.08111	0.9
98.06052	6.8
100.07637	2.3
102.01108	1.0
102.25056	1.0
104.62519	0.9
108.05620	6.4
110.06063	2.0
112.07566	1.4
116.01415	8.7
122.83825	0.9
123.01293	0.9
123.46446	0.9
128.01381	19.4
129.02138	8.3
143.02464	35.7
144.03249	47.0
150.09196	1.0
153.56718	1.1
160.07584	43.8
161.08144	1.1
170.09669	0.9
173.07140	1.3
174.09076	2.1
186.09155	100.0
187.09947	23.9
192.33713	0.9
208.04034	2.2
217.13414	5.5
218.14153	18.7
221.60359	22.4
225.06656	3.7
227.08253	2.0
235.60191	1.1
244.60663	17.5
264.13983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95995	0.2
57.07082	3.7
58.06609	8.8
71.08635	2.2
72.08168	2.3
74.72485	0.2
76.07648	8.0
85.10172	0.5
93.84244	0.3
98.43467	0.2
109.22684	0.2
179.97807	1.1
203.34016	0.3
226.25296	2.8
244.26346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05061	0.2
57.07074	3.3
58.06611	7.9
70.51217	0.3
71.08627	2.4
72.08157	2.1
76.07650	7.5
85.10189	0.6
87.70847	0.2
135.21474	0.3
179.97791	0.6
192.01794	0.3
193.99139	0.3
226.25325	3.0
244.26355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	3.5
58.06372	0.4
58.06614	7.3
59.15719	0.2
71.08629	1.5
72.08165	2.0
76.07654	7.2
76.34277	0.3
82.48603	0.2
85.07344	0.3
85.10167	0.5
95.88702	0.3
96.63734	0.3
133.80417	0.3
155.88860	0.3
179.97842	0.5
180.56416	0.3
205.08981	0.3
226.25307	3.1
244.26355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2272
Annotation	N-(2-HYDROXYETHYL)DODECANAMIDE
Peak:m/z	Relative Intensity
57.07085	18.7
71.08637	10.0
76.04016	10.5
81.44585	1.0
85.10168	7.6
100.02461	1.3
100.07605	6.0
120.96507	5.8
161.96703	1.4
179.97911	7.5
184.78578	1.1
198.22202	24.0
244.22708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.227
Annotation	N-(2-HYDROXYETHYL)DODECANAMIDE
Peak:m/z	Relative Intensity
51.42659	0.7
54.75806	0.7
57.07085	15.3
59.93539	0.7
62.06096	100.0
67.05483	0.9
67.63821	0.7
68.30093	0.8
71.08630	10.1
81.07088	1.7
83.08617	1.9
85.10201	6.2
95.08595	6.6
109.10144	4.9
120.96483	1.9
135.98866	1.3
161.96754	1.6
179.97763	7.5
183.17448	1.3
202.99571	0.8
216.92667	0.8
226.21620	6.1
227.20029	16.8
244.22746	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	244.1909
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
50.23150	0.5
55.05517	5.5
57.07071	4.4
67.05516	5.2
69.07067	6.1
71.04990	1.1
71.08631	1.5
76.02033	0.7
79.05495	3.6
81.06607	0.8
81.07066	15.4
83.05023	0.7
83.08621	16.4
84.08185	1.1
85.06554	1.3
86.06087	1.0
89.50043	0.7
93.07040	3.8
95.08617	17.0
97.06529	3.5
97.10170	11.3
100.07628	2.9
101.66566	0.7
107.08607	10.5
109.10136	2.6
110.09692	1.4
111.08092	4.1
111.24094	0.8
112.59473	0.7
114.09182	2.6
121.10149	10.1
123.11696	1.1
124.11196	2.6
125.09618	3.3
128.10770	1.3
131.08557	1.5
135.11708	2.9
137.13286	1.0
138.12782	1.7
139.14822	0.9
146.69099	0.8
163.14807	19.4
173.13359	5.6
180.17476	30.4
181.15903	6.5
190.15935	1.0
190.68578	0.8
198.18512	6.2
208.16974	4.2
209.15408	1.0
209.76721	0.8
214.34085	0.9
220.44820	0.7
226.18016	100.0
227.16440	1.6
245.17503	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	244.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.3
56.57024	0.3
58.06598	0.4
60.07866	0.6
60.08173	16.9
68.05044	1.4
70.06596	7.9
72.08161	64.9
84.05634	13.3
84.08144	4.3
85.06429	0.3
92.97768	0.4
95.02464	0.5
96.05639	1.4
100.07627	2.6
101.07948	2.8
101.10739	0.4
102.08067	0.6
110.07207	0.7
110.09682	5.1
112.05093	52.2
112.11246	0.3
114.09187	1.3
115.08730	1.7
116.07037	1.1
126.02486	15.3
126.03371	0.7
126.12806	3.2
127.08682	0.6
127.12325	1.0
127.13135	5.9
128.08217	0.3
128.13487	3.9
130.05060	1.2
130.06052	0.3
136.75238	0.4
140.07100	1.1
140.10733	0.3
141.04820	100.0
150.71260	0.3
156.06639	1.3
157.04352	1.4
158.08121	12.8
173.09317	1.4
175.10855	1.9
181.09700	0.4
182.12910	0.5
185.03752	0.6
185.12918	0.4
186.08815	0.4
190.09872	0.4
197.78053	0.3
198.14465	0.4
200.12169	28.8
208.10909	1.5
208.14583	1.3
226.11952	6.5
226.15477	12.6
227.10434	0.4
227.13907	5.8
227.20377	1.4
244.11159	4.6
244.13014	8.0
244.16748	18.1
244.22845	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	244.1657
Annotation	Lysylproline
Peak:m/z	Relative Intensity
57.78757	0.3
59.46340	0.3
60.05635	0.5
84.05638	100.0
85.05354	3.1
85.05969	9.2
86.05669	0.8
86.06282	0.6
96.05629	0.7
110.07197	0.8
128.96101	0.3
178.13464	0.6
208.14485	4.3
224.13972	3.0
226.15672	50.4
244.16725	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.05524	13.3
59.05013	1.6
60.05659	78.4
67.05509	1.2
70.06586	1.8
72.05646	8.1
73.06538	1.0
74.69298	0.8
79.05491	5.8
80.04998	3.4
81.07082	6.3
82.06567	1.0
83.04530	1.0
83.04991	24.1
84.05637	20.0
84.08136	3.6
91.05505	3.4
93.07054	10.1
95.04964	3.7
95.08572	1.0
96.05614	1.9
96.08150	1.1
97.06522	1.5
101.06009	3.7
105.07010	1.8
107.08600	1.8
110.07150	2.0
114.09184	10.9
121.07682	0.8
121.10130	4.3
121.74709	1.0
124.08678	1.2
125.08586	1.2
125.09504	27.8
126.06606	1.4
126.10286	8.4
128.08220	0.9
131.08571	8.5
131.11778	4.7
148.11166	3.6
149.09648	1.9
166.12245	4.2
170.09248	1.7
180.14951	1.0
191.11826	0.8
208.10884	1.1
208.14488	14.4
221.05200	1.1
226.11832	4.0
226.15497	68.6
227.17542	4.3
239.06177	1.1
244.13025	8.5
244.16548	100.0
244.20157	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	244.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14829	0.4
50.77545	0.3
54.15897	0.4
55.02999	0.4
55.05530	0.7
72.08147	3.5
95.04963	0.4
97.07651	3.5
98.06055	2.3
103.05465	5.5
114.10295	100.0
115.00869	0.5
115.08686	4.1
130.06546	2.3
131.04935	49.8
201.13875	99.7
202.12288	4.5
244.14435	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
56.60747	0.5
72.08157	4.3
73.87278	0.5
77.94435	0.5
86.10255	0.5
92.18391	1.0
97.07663	3.9
98.06050	0.8
100.43283	0.5
103.05487	5.1
114.10298	100.0
115.08675	3.4
130.06554	2.2
131.04941	45.7
135.49391	0.6
143.90213	0.5
145.80647	0.6
152.14397	0.5
160.11241	1.2
165.38704	0.6
201.13887	96.4
202.12375	5.3
222.76065	0.5
244.14455	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	244.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31050	0.4
55.05519	0.6
63.98841	0.5
66.71471	0.5
67.05518	1.0
67.81722	0.4
72.08143	2.3
73.05453	0.5
81.46742	0.5
86.09713	2.1
95.04916	1.0
95.82856	0.5
97.07656	1.1
98.06038	2.3
103.05489	4.3
106.87907	0.6
108.89616	0.5
114.10294	48.8
115.08710	7.3
129.05849	0.5
130.06512	2.6
131.04933	43.9
160.11061	0.6
201.13870	100.0
202.12274	3.7
226.14322	0.6
244.14445	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42630	0.5
58.26329	0.5
58.53212	0.5
72.08142	0.8
97.07641	0.8
98.06035	2.6
99.43922	0.6
100.43392	0.6
103.05461	4.6
114.10291	55.2
115.08689	7.0
130.06529	1.3
131.04935	49.1
160.11253	0.8
164.61964	0.6
201.13872	100.0
202.12212	4.3
203.81490	0.6
244.14441	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	244.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59576	0.5
53.33746	0.5
55.05524	0.5
69.07076	6.3
72.08138	3.4
82.81103	0.6
84.04501	7.9
88.52171	0.5
95.58762	0.6
97.07628	4.0
98.06058	1.4
102.05568	5.9
103.05483	6.5
114.10294	99.1
115.08672	3.1
130.05022	16.5
130.06508	1.2
131.04930	43.4
148.06038	7.8
150.72130	0.6
183.12914	0.6
201.13875	100.0
202.12285	5.1
244.14430	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65232	0.3
52.09095	0.3
56.66225	0.3
66.40457	0.4
72.08143	1.9
73.04036	0.4
73.88956	0.4
77.03895	0.4
97.07687	0.9
98.06049	1.0
103.05483	4.3
112.31356	0.4
114.10295	50.8
114.27308	0.4
115.08681	6.0
128.34236	0.5
130.06537	2.2
131.04932	45.0
144.08061	0.6
159.10484	0.7
160.11220	1.0
185.39890	0.4
201.13878	100.0
202.12352	3.2
244.14455	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71309	0.3
55.05514	0.7
66.22639	0.4
72.08162	1.6
83.08624	3.3
86.25447	0.4
91.05482	0.4
97.07638	1.9
98.06062	2.3
103.05469	5.0
107.00407	0.4
114.03962	0.4
114.10295	52.1
115.08690	6.5
130.06520	2.4
131.04933	47.8
134.04506	0.7
144.08156	0.5
160.11232	0.8
201.13881	100.0
202.12335	2.9
244.14452	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	244.097
Annotation	Isotaifine
Peak:m/z	Relative Intensity
53.76612	0.8
56.84767	0.6
65.87173	0.7
70.06605	0.9
71.10416	0.6
77.40240	0.7
79.05515	8.4
84.04510	0.9
86.09722	1.1
93.07061	1.1
95.04954	0.8
96.04494	64.1
103.05476	65.9
105.07011	3.1
107.04964	37.6
114.09151	1.1
114.84988	0.7
121.06454	0.9
131.04929	57.8
149.05983	6.2
155.18488	0.8
163.49956	0.7
171.74294	0.7
184.05998	0.9
230.30968	0.8
244.09679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.093
Annotation	Cytidine
Peak:m/z	Relative Intensity
60.08176	1.2
69.04548	0.3
70.06601	2.0
72.08163	17.3
73.02932	0.1
73.11256	0.1
74.43774	0.1
76.43789	0.1
80.19729	0.1
83.06096	0.1
84.08153	1.6
85.02924	0.1
85.08461	0.1
95.02464	1.2
96.10171	0.1
98.06061	0.1
110.09685	1.1
112.05098	100.0
115.08725	0.2
116.07101	0.6
126.01682	0.1
126.02473	1.0
127.13143	0.1
129.10255	0.2
129.98857	0.1
130.08620	0.1
140.07097	0.2
141.04826	7.1
152.07115	0.1
156.06618	0.2
157.04298	0.1
157.09673	0.1
158.08125	3.0
158.09317	0.2
173.09236	0.2
175.10857	0.8
184.04553	0.2
186.08775	0.2
197.51428	0.1
200.12190	1.9
203.04036	0.1
226.11963	0.5
226.15466	0.2
227.13916	1.6
244.12920	0.4
244.16574	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	244.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15436	0.9
58.99876	1.9
60.08163	1.4
69.03438	1.4
70.06596	7.6
72.08140	5.2
73.02916	1.4
77.00914	10.2
80.03359	2.6
84.08146	19.1
85.02917	2.2
87.01897	1.3
89.00906	1.9
95.01971	1.2
98.97568	1.6
101.00892	10.4
112.05109	18.4
113.10365	1.2
115.02426	1.5
115.12948	1.0
116.07047	1.6
119.01924	10.5
119.26627	1.4
123.02940	1.0
123.04430	15.2
127.02438	6.1
129.10248	1.9
135.01392	2.2
139.02411	8.5
143.01901	8.8
145.03470	14.0
150.35869	1.2
153.02393	1.3
155.01898	6.5
157.03488	24.2
161.02963	6.3
165.05478	7.4
167.01854	4.0
173.02954	5.3
184.04730	1.2
185.02922	12.2
203.03998	28.5
203.05809	1.4
205.05643	9.0
221.05058	100.0
226.05562	2.6
239.06104	76.7
244.06662	41.5
244.09270	1.8
244.12910	2.5
244.16583	7.1
256.30280	1.2
257.07269	1.4
262.07736	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	244.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
58.99862	1.8
60.05652	5.2
69.68179	1.0
70.06593	12.3
70.99840	1.8
72.08154	5.2
77.00900	8.5
84.05624	6.4
84.08142	6.9
86.09650	1.1
87.04448	1.2
89.00893	5.5
101.00868	8.4
111.94516	1.1
119.01918	9.5
127.02448	2.8
129.10208	2.2
135.01343	1.9
139.02425	9.4
143.01910	6.2
145.03474	16.5
155.01624	18.9
155.28160	1.3
156.19009	1.1
157.03473	30.2
161.02982	1.9
167.01976	2.8
175.04539	1.3
180.04938	1.2
184.09705	2.4
185.02933	16.3
198.05687	1.2
203.04007	28.6
208.07132	2.0
212.10330	2.8
221.05063	100.0
226.15456	2.1
239.06114	74.6
244.06621	41.3
244.11768	2.3
244.13234	2.4
244.16519	14.4
262.07706	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	243.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	38.5
57.07079	4.6
59.33133	3.2
64.03094	3.5
67.05515	51.6
69.07074	73.0
70.75288	4.0
71.04973	6.8
71.08599	5.2
72.93803	4.3
79.05503	15.6
81.07077	81.8
83.08626	61.3
85.06537	4.9
91.05482	22.9
93.07046	23.0
95.04980	4.2
95.08601	100.0
97.06517	9.7
97.09616	5.9
97.10183	63.3
100.26395	4.8
105.07023	19.4
107.08617	33.0
109.10170	87.9
111.08083	8.7
111.11713	8.6
114.95625	19.9
119.08582	46.6
121.10162	27.8
123.08085	8.2
123.11694	41.5
125.09684	6.1
132.96758	4.5
133.10132	60.5
135.11662	9.0
137.09621	8.8
145.96678	4.9
147.11670	48.2
149.96049	4.4
151.11221	5.5
161.13248	8.4
163.14842	6.8
165.16431	21.6
173.13408	4.7
178.95935	21.8
178.98380	8.5
189.16382	80.8
207.17429	32.5
225.18472	8.0
226.08087	15.8
229.14333	16.5
243.17386	6.8
243.21112	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	243.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34924	0.2
67.05503	0.5
69.07076	8.0
72.75227	0.2
78.72139	0.2
81.07050	1.0
92.17850	0.4
95.08607	1.2
97.01752	0.2
105.07015	0.4
118.06510	0.3
129.07007	1.4
130.06538	6.4
131.07329	0.3
132.08087	2.1
143.08528	0.4
144.08087	7.7
147.11668	0.5
155.07327	0.4
156.08095	13.0
157.08870	2.1
157.10068	0.3
168.08098	3.0
169.07491	0.5
169.08878	10.3
169.10292	0.4
170.09653	15.2
174.11516	1.0
182.09659	2.2
183.10437	5.9
184.11226	0.5
186.12767	2.3
197.12010	4.6
197.15067	0.2
200.14346	6.1
210.12787	1.0
212.14352	100.0
219.60265	0.3
243.10336	0.3
243.18683	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	243.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50905	0.4
55.05503	1.0
56.04221	0.3
60.05652	0.4
60.99636	0.4
61.02934	0.6
63.81100	0.4
67.05501	2.3
69.07059	2.8
70.06602	3.4
72.07761	0.5
72.08160	13.2
72.84369	0.4
79.05455	0.5
81.07050	4.2
82.06577	0.6
84.04492	0.6
91.05474	0.7
95.04975	8.9
97.07661	4.2
98.06055	11.3
103.41243	0.4
112.07603	8.5
114.10295	24.9
115.08703	6.5
123.04435	2.2
124.04739	0.7
124.07591	4.0
127.05003	0.5
131.12920	0.6
137.05989	2.4
140.04695	5.6
140.08220	3.2
153.05203	0.7
155.07024	4.4
165.05479	2.1
165.13861	17.5
166.05736	0.6
166.12274	56.3
180.04207	0.8
181.04947	5.1
183.14938	3.2
184.13306	3.5
193.04999	0.9
195.06445	0.5
198.39249	0.6
201.15892	0.5
207.06488	1.8
208.14459	42.3
225.07617	0.6
225.17169	0.7
243.04750	5.1
243.18164	100.0
244.39885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
51.62705	5.0
55.01892	5.8
55.05518	37.2
57.03436	26.0
57.07074	32.0
61.02927	10.1
67.05509	89.5
69.03107	4.2
69.03423	38.7
69.07074	70.2
69.26978	4.4
71.04987	18.8
71.08624	31.1
73.02905	11.1
73.46914	4.2
79.05502	49.0
81.03420	100.0
81.07070	97.4
83.04985	28.7
83.08624	22.4
85.02909	20.0
85.06538	11.3
85.10183	6.6
91.05491	38.9
93.07054	65.4
93.71725	4.7
95.04963	31.4
95.08594	52.0
97.02892	8.3
97.06536	11.5
97.10162	11.3
99.04432	7.5
99.08091	27.1
105.07037	50.1
107.04958	22.7
107.08600	34.3
109.06519	25.7
109.10165	55.7
111.04426	29.4
111.08053	11.1
113.09659	8.8
115.03958	10.3
117.07039	5.5
119.08588	38.3
121.06527	5.6
121.10134	37.1
123.04517	4.2
123.08115	16.0
123.11713	33.4
125.06059	6.9
125.09639	27.3
127.11098	6.5
133.10120	22.7
135.11699	31.7
137.06021	7.0
137.09630	5.2
137.13312	9.9
139.11162	11.6
141.12723	4.4
143.08505	8.4
145.10100	11.1
147.11705	18.9
151.11133	25.6
153.12744	25.4
157.10164	9.3
159.11694	10.3
161.13260	19.4
163.11119	6.4
165.12776	17.8
171.11687	5.8
176.97696	5.1
177.12744	7.6
179.14328	6.6
179.38300	4.7
189.12790	10.4
195.13834	41.8
207.13811	38.4
225.14771	9.0
243.11440	6.6
243.13544	8.9
243.15553	58.1
243.21071	8.2
243.47586	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	243.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24588	0.8
51.64733	0.7
62.66522	1.0
65.26244	0.8
65.85938	0.7
69.07059	0.9
70.06593	1.1
84.04517	80.6
84.05630	100.0
85.05350	13.1
85.05969	40.5
86.09710	97.9
86.10500	1.4
86.86765	0.8
96.05615	1.0
96.08940	1.1
99.65467	0.9
100.07640	5.7
101.07975	3.7
110.07175	1.0
111.07546	1.8
123.04448	2.0
124.04754	1.8
126.12771	6.5
127.13150	10.3
129.06628	4.6
132.10211	45.3
132.11168	1.7
141.06651	5.3
145.96663	1.5
149.96136	1.5
159.63036	1.0
164.10733	2.0
179.13760	4.7
183.12088	1.4
187.66344	0.9
191.97125	1.3
194.49507	0.9
197.12859	42.9
198.53885	0.8
219.96698	1.3
225.14282	62.0
226.19930	1.9
243.13425	7.2
243.15413	69.2
243.22615	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	243.0864
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03922	0.4
55.05511	0.8
57.03434	2.2
59.04997	2.1
61.02931	11.6
65.03940	2.9
67.05495	2.5
69.03430	1.2
69.07044	0.7
70.06605	0.9
72.08161	1.1
72.93798	0.6
75.04464	0.6
79.05487	2.6
81.03428	0.6
81.07053	3.5
82.60210	0.7
84.04499	2.5
84.08133	2.2
85.02914	1.2
85.06519	0.6
86.09695	3.2
91.05479	11.9
93.03403	3.0
93.07035	3.6
95.04972	9.6
95.08594	0.8
96.04519	0.5
97.06535	0.9
103.05454	0.6
103.62038	0.5
105.04542	0.7
105.07028	1.3
107.04945	7.6
109.02867	1.2
109.06517	13.2
110.03625	0.9
111.04469	3.7
112.02216	0.8
114.09167	9.5
119.04930	4.9
119.08592	1.0
121.06490	2.6
123.04427	20.2
123.08076	0.9
125.02396	0.8
125.05979	4.9
127.03893	1.1
129.10269	0.9
131.11766	0.6
133.02852	13.2
135.04404	4.3
137.05981	28.0
139.03929	0.9
139.07561	0.8
140.01678	2.7
140.04684	94.3
147.04419	7.1
149.05988	0.7
151.03889	2.2
151.07558	1.0
152.04698	1.2
153.05452	4.8
154.02635	1.9
155.07028	100.0
161.09575	0.8
163.03897	3.0
165.05467	24.5
167.07025	2.2
169.05037	6.0
169.71779	0.6
171.06516	4.7
173.08125	2.5
175.31747	0.5
179.07027	12.6
179.08665	0.8
179.10680	1.1
180.04166	17.5
181.04948	88.2
183.06543	3.8
192.04178	0.8
193.04964	28.9
195.06529	17.3
196.07353	0.9
197.03004	1.1
197.08202	8.5
207.06534	28.7
207.08488	0.9
207.10176	0.9
225.07568	22.3
225.09270	1.2
243.04652	0.7
243.08603	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26235	0.5
52.08704	0.5
56.06691	0.5
59.98114	0.6
67.83174	0.6
75.37086	0.5
98.97572	1.1
101.00874	2.2
119.01907	5.1
134.99835	0.9
142.03514	1.2
160.04480	4.1
177.00931	7.6
178.01028	0.7
184.04521	0.7
197.03006	2.8
201.00798	2.3
201.02472	4.2
202.01056	0.9
217.04100	3.5
219.02005	24.3
219.94609	2.0
220.02129	19.1
220.04230	0.6
225.00655	0.9
225.02620	1.4
234.73438	0.5
243.01855	14.7
249.23737	0.6
261.03055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46865	0.3
52.22843	0.3
56.05033	1.7
57.07082	5.1
59.93094	0.6
71.08644	2.8
74.06084	21.0
85.10159	0.5
91.78951	0.3
100.05949	0.3
100.95716	1.7
113.75700	0.3
115.98045	0.4
118.96759	18.0
133.99086	5.9
134.25435	0.4
136.95399	3.6
137.15700	0.3
141.98390	0.6
154.96461	3.6
159.97012	11.3
177.98071	28.9
186.22166	0.6
200.23720	5.0
200.99654	2.5
231.26132	0.4
242.24776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35081	0.5
58.06616	0.7
61.00698	0.5
62.39166	0.4
70.06592	4.1
72.04523	1.1
72.08170	4.5
78.03789	1.1
84.08138	2.6
86.09720	4.1
98.09676	1.0
100.07623	50.5
110.09690	2.9
112.07621	3.0
112.11256	1.0
114.09158	4.2
123.04418	7.8
126.12792	100.0
143.11783	1.1
154.12256	8.9
157.13350	8.6
165.05460	2.9
169.13382	2.5
171.14928	8.7
224.21176	2.1
225.19612	12.5
242.15779	6.8
242.22260	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1542
Annotation	Acutine
Peak:m/z	Relative Intensity
53.95535	0.4
53.99866	0.4
55.05510	0.6
57.49131	0.4
59.05008	7.6
63.93020	0.4
79.05479	0.5
93.07038	1.1
97.06529	3.1
99.04439	0.8
109.35429	0.5
117.05830	0.5
131.07303	1.0
132.08058	0.9
143.08678	0.5
144.08098	27.9
145.08818	1.0
146.09669	2.0
157.08859	3.7
158.09660	9.2
159.10457	3.6
167.07320	3.4
168.08087	3.6
169.08864	7.4
170.09656	12.3
171.10414	1.1
172.11220	9.2
177.98105	0.6
180.07793	0.5
181.08839	3.0
182.05266	0.9
182.09662	13.0
183.10434	25.7
184.11229	37.9
194.09660	1.9
195.10422	6.9
196.11234	9.8
198.12804	1.1
208.11211	0.7
208.33234	0.5
209.11989	5.3
210.12820	0.6
211.13522	2.5
212.14349	5.4
222.12872	0.5
224.14328	8.1
242.11902	8.5
242.15392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41808	0.3
67.05505	0.6
84.05638	100.0
85.06416	6.0
92.18533	0.4
93.07064	0.6
95.08606	8.7
96.05621	1.9
100.22021	0.4
110.07174	6.8
120.44018	0.4
178.13399	8.2
180.14984	2.3
206.12912	1.5
224.13948	92.2
242.15005	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	242.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54039	0.3
57.04557	0.6
59.26815	0.2
60.05660	0.6
66.79842	0.3
83.88907	0.3
84.05635	100.0
85.05369	0.5
85.05978	1.3
93.07034	0.6
96.05592	0.4
100.32226	0.3
101.91217	0.3
113.94496	0.3
119.08581	1.7
119.41415	0.3
121.10169	1.3
123.04440	0.7
127.10520	0.4
147.08064	1.9
165.09113	3.0
183.10155	3.3
199.32411	0.3
224.14017	1.7
242.15024	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47009	0.4
61.01149	0.8
66.32915	0.4
69.07064	1.7
69.30981	0.5
76.61882	0.5
78.03793	3.4
84.05633	79.0
85.06402	4.4
86.15545	0.5
93.07054	0.7
95.08611	5.3
96.05572	1.8
110.07171	5.8
113.53648	0.4
122.07124	0.6
122.86414	0.4
123.04428	13.2
126.12774	1.9
165.05431	5.3
168.07640	0.5
178.13373	10.6
180.14897	2.3
188.11781	0.6
206.12852	2.7
224.13936	100.0
242.09969	1.9
242.15001	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	242.1501
Annotation	Leuhistin
Peak:m/z	Relative Intensity
57.04564	1.1
60.05670	0.3
65.70853	0.2
69.07076	0.4
84.05637	100.0
85.06419	2.1
85.13869	0.3
95.08614	3.1
96.05634	1.3
110.07168	3.1
119.08600	0.5
122.07185	0.5
125.07294	0.3
147.87032	0.3
151.46866	0.3
152.97826	0.3
164.84470	0.3
168.07573	0.4
178.13416	4.3
180.14909	0.3
199.35672	0.3
201.11627	0.3
206.12842	0.6
224.13939	37.0
242.14992	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	242.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65515	0.5
60.05645	3.4
63.12807	0.5
69.07088	0.7
70.28027	0.6
72.05645	9.7
76.18037	0.7
84.05640	36.4
85.06405	2.5
95.03726	0.6
95.04953	0.7
95.08603	4.6
96.05606	0.8
98.03530	1.4
100.05101	2.5
107.08604	1.3
109.07528	0.6
110.07178	6.3
119.08574	0.9
121.10146	1.0
122.07135	1.0
125.09486	1.1
136.11220	0.9
140.08179	3.9
147.08093	3.6
164.10707	1.4
167.11815	11.3
178.13412	4.0
182.11783	2.4
196.14482	19.5
206.12920	1.2
224.13908	9.8
225.12401	0.8
226.56706	0.7
242.15009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1501
Annotation	Leuhistin
Peak:m/z	Relative Intensity
60.05661	8.6
67.05517	0.6
84.05635	100.0
93.07032	0.6
96.05624	0.5
98.03601	0.3
98.21545	0.3
108.68357	0.4
109.10207	0.5
110.07146	0.6
119.08596	0.8
135.02512	0.3
178.13399	1.7
182.11797	1.5
206.12895	0.7
224.13948	18.8
242.14995	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96501	0.3
52.36047	0.3
55.05520	0.5
58.02779	0.3
60.05660	100.0
62.86768	0.3
65.10701	0.4
67.05518	8.5
69.07068	0.6
72.05663	0.7
72.08165	0.7
75.35844	0.3
79.05486	0.9
81.07072	2.2
82.06549	0.4
82.17886	0.4
83.07372	0.5
83.52814	0.3
84.05639	20.7
84.08167	0.5
85.02896	0.5
85.06420	0.5
86.03571	0.9
87.01967	0.4
88.05150	0.5
91.05478	4.2
93.07056	3.6
95.04978	2.4
95.08643	2.7
97.02905	2.2
98.03555	1.4
100.05128	2.2
105.07084	0.6
107.08606	1.8
109.02886	0.9
109.06530	0.9
109.10165	18.9
110.07140	0.5
113.10804	0.5
114.09177	0.7
115.09501	0.8
116.04598	0.8
117.07017	1.6
119.08581	10.6
121.10181	0.9
124.05031	0.4
124.08709	0.5
125.09546	1.5
129.06956	0.6
129.10258	0.5
136.11247	0.7
137.09630	6.6
142.06110	0.5
143.10513	0.8
144.07721	0.7
146.09618	0.5
147.08063	17.0
150.09114	0.5
156.11349	0.9
157.11688	0.9
164.10770	3.4
165.09044	3.0
168.07828	0.4
173.13933	0.5
174.14378	1.4
176.11859	0.5
178.13390	1.7
181.08798	0.6
182.11766	5.4
191.29349	0.4
196.11296	0.7
206.12848	2.5
224.13947	68.0
229.20036	0.4
242.14996	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48931	0.5
59.32075	0.5
69.07061	0.5
78.23161	0.6
84.05635	100.0
85.05959	0.6
85.06414	3.0
92.18417	0.7
95.08598	5.1
96.05624	1.1
104.70171	0.5
110.07150	5.4
157.02391	0.6
164.10771	0.7
168.07707	0.9
178.13412	12.0
180.14999	0.6
183.77103	0.6
206.12926	1.1
224.13943	91.3
242.15007	25.5
253.25461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1501
Annotation	Leuhistin
Peak:m/z	Relative Intensity
55.05526	1.0
56.40865	0.4
57.04564	0.8
57.29063	0.4
61.47689	0.3
67.05510	0.4
69.07069	1.8
70.06586	0.7
76.05119	2.1
76.80916	0.4
79.05507	1.4
79.23161	0.5
80.61343	0.4
81.07085	0.5
83.04856	0.9
84.05641	26.5
85.06476	0.6
93.07039	2.8
95.08604	1.8
96.04605	0.5
96.05627	14.8
97.06525	3.4
98.07182	2.7
98.09728	0.4
100.03983	0.5
100.05093	2.8
100.07620	0.7
105.07008	0.4
107.08589	0.9
110.07190	3.9
111.04459	0.7
111.07977	0.6
112.84131	0.4
119.08615	0.4
121.10143	1.8
124.08720	1.6
126.12775	2.7
128.08101	0.5
134.31068	0.4
138.06631	0.6
143.06970	0.7
144.08115	9.2
145.08977	0.7
146.09642	0.6
149.09654	0.8
154.06221	0.7
154.12231	0.4
157.08852	0.7
158.09686	4.0
159.10431	0.9
167.07274	0.6
167.10663	0.5
168.08136	0.6
169.08820	1.8
170.09674	4.3
172.11247	2.3
180.14941	1.7
181.08829	0.9
182.09637	4.8
183.10451	10.9
184.11227	9.5
195.10463	4.5
196.11270	3.6
198.12840	0.8
209.11978	2.0
211.13612	0.6
212.14322	2.4
212.16318	0.4
224.14149	7.0
242.15125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1498
Annotation	Leuhistin
Peak:m/z	Relative Intensity
52.37305	0.3
57.04540	0.6
67.59402	0.4
69.07054	2.4
84.05637	53.2
85.06402	2.3
95.08596	3.1
96.05603	2.1
99.20229	0.5
100.05095	0.8
100.07655	0.6
107.08585	0.7
108.08129	0.9
110.07169	7.7
111.05579	0.6
122.07112	3.1
124.11192	0.4
136.11137	0.5
140.08188	3.9
150.09119	0.5
167.11797	18.3
178.13329	5.1
196.07582	2.0
196.14470	28.3
224.13904	3.7
242.14990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.15
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64023	0.4
67.05513	0.5
67.50764	0.5
69.57511	0.5
75.17972	0.5
84.05633	99.3
85.06415	5.0
95.08625	6.1
96.05630	2.2
101.27706	0.5
103.23245	0.5
110.07153	5.7
119.53819	0.6
122.07165	0.8
126.53880	0.5
135.76787	0.6
168.07628	0.5
178.13393	11.8
180.14957	2.3
201.23512	0.5
206.12926	2.6
224.13940	100.0
242.15027	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	242.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31046	0.3
55.05521	1.6
57.04571	0.7
60.05663	0.6
62.43839	0.3
67.05489	0.6
69.07076	1.5
71.04993	2.0
76.05126	4.0
81.03419	0.5
81.07066	1.5
82.06562	0.4
83.04858	0.5
84.05639	25.1
91.05461	0.5
93.07051	2.1
95.08637	1.0
96.05621	20.1
97.06413	2.4
97.10212	0.5
98.07197	2.3
99.04493	3.3
100.05110	4.2
100.69479	0.4
107.08612	0.4
110.07166	4.2
121.10144	0.8
124.08738	0.7
130.61966	0.5
136.11200	0.5
138.06642	0.7
143.06932	1.4
144.08096	28.3
149.09596	2.0
158.09631	0.8
168.08122	0.6
170.09612	1.8
172.11244	0.8
180.14944	1.5
181.08881	0.6
182.09669	1.7
183.10439	4.1
184.11221	3.0
195.10443	0.7
196.11220	3.2
224.14076	3.5
242.11823	23.8
242.15059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18866	0.2
55.86477	0.3
60.86657	0.3
61.00878	0.5
61.01163	10.0
66.61235	0.3
69.60873	0.3
72.08162	0.7
73.91061	0.3
78.03802	25.5
81.07070	0.4
83.05004	0.6
83.06107	2.8
84.05640	15.0
84.08127	0.5
86.09734	0.4
92.17780	0.4
93.07042	0.5
95.04977	3.5
97.06524	0.4
100.07609	0.3
110.07215	0.3
114.10289	0.3
121.06525	0.7
123.04436	100.0
126.12817	0.5
129.10237	0.4
165.05475	43.5
176.87460	0.4
183.12044	0.6
224.13927	6.5
242.10077	4.2
242.14990	9.7
242.17023	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	242.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09096	0.3
54.98701	0.2
54.99741	0.3
55.29097	0.2
57.99305	0.3
58.06605	1.6
59.06911	0.3
60.29571	0.3
61.01159	2.7
63.18666	0.3
69.09200	0.3
70.06596	2.4
70.68657	0.3
72.04538	1.1
72.08162	5.0
72.75168	0.3
78.03799	5.8
84.05620	0.6
84.08157	3.3
85.97702	0.3
86.09711	1.4
94.88131	0.3
95.04958	0.8
97.08913	0.4
98.09695	0.7
100.07621	49.9
110.09679	3.2
112.07607	1.6
112.11249	0.6
114.09168	1.4
123.04433	21.9
126.12793	100.0
128.14375	0.7
143.11795	0.5
154.12254	7.5
157.13339	3.7
165.05460	9.9
169.13362	2.1
171.14922	11.1
183.18575	0.4
203.92238	0.3
224.21161	2.8
225.19609	14.0
242.13220	0.6
242.15787	24.6
242.22258	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83647	0.3
61.01163	9.3
61.71490	0.3
64.06606	0.3
65.94661	0.3
74.66472	0.3
78.03799	28.1
80.05024	1.3
85.02900	1.5
90.04265	0.3
95.04957	3.6
97.02872	0.4
97.80951	0.3
99.04427	0.3
113.96413	0.4
119.01920	1.5
121.06521	0.7
123.04435	100.0
132.30530	0.3
133.03477	1.1
138.03186	0.4
139.09468	0.7
143.01907	1.8
147.01440	0.3
148.01701	0.3
151.44292	0.3
155.08946	0.5
161.02985	0.7
164.33673	0.3
165.05475	46.3
170.06633	0.3
201.00729	0.6
201.02400	0.4
219.01645	0.6
219.03601	0.7
219.07024	0.4
242.11655	0.4
242.15782	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	242.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18866	0.2
55.86477	0.3
60.86657	0.3
61.00878	0.5
61.01163	10.0
66.61235	0.3
69.60873	0.3
72.08162	0.7
73.91061	0.3
78.03802	25.5
81.07070	0.4
83.05004	0.6
83.06107	2.8
84.05640	15.0
84.08127	0.5
86.09734	0.4
92.17780	0.4
93.07042	0.5
95.04977	3.5
97.06524	0.4
100.07609	0.3
110.07215	0.3
114.10289	0.3
121.06525	0.7
123.04436	100.0
126.12817	0.5
129.10237	0.4
165.05475	43.5
176.87460	0.4
183.12044	0.6
224.13927	6.5
242.10077	4.2
242.14990	9.7
242.17023	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	242.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09096	0.3
54.98701	0.2
54.99741	0.3
55.29097	0.2
57.99305	0.3
58.06605	1.6
59.06911	0.3
60.29571	0.3
61.01159	2.7
63.18666	0.3
69.09200	0.3
70.06596	2.4
70.68657	0.3
72.04538	1.1
72.08162	5.0
72.75168	0.3
78.03799	5.8
84.05620	0.6
84.08157	3.3
85.97702	0.3
86.09711	1.4
94.88131	0.3
95.04958	0.8
97.08913	0.4
98.09695	0.7
100.07621	49.9
110.09679	3.2
112.07607	1.6
112.11249	0.6
114.09168	1.4
123.04433	21.9
126.12793	100.0
128.14375	0.7
143.11795	0.5
154.12254	7.5
157.13339	3.7
165.05460	9.9
169.13362	2.1
171.14922	11.1
183.18575	0.4
203.92238	0.3
224.21161	2.8
225.19609	14.0
242.13220	0.6
242.15787	24.6
242.22258	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2163
Annotation	Dihydropseudotsugonol
Peak:m/z	Relative Intensity
55.05520	5.4
55.81120	0.3
57.03449	0.6
57.07079	1.8
59.05009	0.7
67.05512	8.7
69.07076	13.7
71.04993	5.0
71.08626	0.6
79.05511	2.4
81.07065	23.9
83.05022	0.4
83.08624	8.3
85.06551	100.0
91.05478	0.7
92.17881	0.5
93.07050	6.6
95.08611	42.1
95.56229	0.4
97.06528	0.4
97.10177	6.7
98.97585	2.5
99.08097	13.6
99.08704	0.6
103.07616	0.6
105.07040	0.6
107.08611	9.7
109.10164	32.9
111.08105	0.7
111.11728	1.9
113.09639	3.3
116.98588	1.3
119.08604	0.4
121.10143	9.0
123.11707	38.4
125.09630	0.8
127.11225	1.9
133.10179	0.4
133.47061	0.4
134.99675	0.5
135.11702	9.3
137.13289	3.1
139.11172	1.4
141.11678	0.4
141.12753	9.9
145.10162	0.3
149.13249	11.0
152.96919	0.4
153.12743	0.8
163.14830	2.2
165.16296	0.7
167.14316	0.6
175.98573	0.6
176.98952	0.6
177.00586	0.5
177.16393	1.4
179.17950	1.4
205.19540	7.6
213.07161	0.6
213.09117	16.5
223.20573	7.5
226.06189	0.4
241.08591	28.5
241.19469	0.9
241.21620	16.6
261.79883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2163
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
55.05513	6.6
56.34662	0.8
57.07073	2.0
67.05514	10.4
68.15231	0.9
69.07075	17.4
71.05003	6.7
79.05501	1.7
81.07071	26.7
83.08633	10.1
85.06550	100.0
93.07041	7.9
95.08611	54.8
95.09124	0.9
95.09239	1.3
97.06545	1.7
97.10159	6.0
98.97590	5.9
99.08105	19.1
107.08584	10.8
109.10162	37.2
113.09630	4.0
115.67508	1.0
116.98598	1.8
120.07256	1.0
121.10150	10.5
123.11708	41.8
125.09715	1.1
127.11200	1.3
135.11707	14.7
137.13243	2.2
141.12733	5.4
149.13272	12.8
151.20534	1.0
153.12746	1.1
163.14771	2.2
175.98479	1.4
177.16359	1.2
179.18036	1.6
190.89006	1.2
205.19518	11.9
222.70326	1.0
223.20520	9.1
241.08743	1.8
241.15793	1.4
241.19482	2.4
241.21613	21.0
243.61073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2156
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
55.05523	6.1
57.03444	1.6
57.07088	3.7
58.29372	0.3
65.82538	0.4
67.05515	10.6
69.06702	0.6
69.07076	15.9
71.04998	6.3
71.08632	0.9
79.05496	2.7
81.07067	29.0
83.08627	10.3
85.06551	100.0
93.07053	7.8
95.08612	52.5
97.06564	1.7
97.10179	7.2
98.97603	0.9
99.08099	14.6
99.08710	0.9
103.07579	0.7
107.08588	10.3
109.10165	40.6
111.08021	0.8
111.11738	1.7
113.09639	3.9
119.25928	0.4
121.10155	10.8
121.10964	0.9
123.11709	40.7
125.09652	1.0
127.11223	1.8
135.11687	10.2
137.13277	2.8
141.12764	7.8
149.13272	11.1
151.14815	0.5
153.12708	0.5
163.14856	5.1
165.16466	0.6
167.14348	1.0
177.16414	0.7
179.17996	1.8
205.19518	9.3
223.17064	0.5
223.20563	7.4
240.23297	0.5
241.12105	0.5
241.17952	4.2
241.21619	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	241.2164
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
55.05521	8.7
57.03458	1.0
57.07085	6.0
59.04994	1.1
67.05518	12.8
69.03466	0.7
69.07079	19.8
71.04998	19.8
71.08627	1.2
79.05498	3.8
81.07072	35.7
83.08626	13.6
85.06554	100.0
93.07050	10.4
95.08614	55.4
97.06534	10.4
97.10165	8.1
98.97605	5.8
99.08109	14.2
103.07606	0.9
107.08607	14.6
109.10168	44.5
111.08107	1.6
111.11735	1.9
113.09650	3.5
116.98617	1.1
117.24814	0.9
121.10162	12.9
123.11716	47.7
125.09615	1.5
127.11205	3.3
132.90585	0.8
135.11710	12.9
137.13277	5.1
141.12779	11.8
145.10150	1.4
149.13284	14.1
153.12793	1.4
154.13736	0.9
163.14828	5.1
174.57399	0.9
177.16411	2.0
179.18002	1.8
185.13248	1.0
202.14290	0.8
205.17760	1.2
205.19528	11.3
223.20609	15.8
241.15967	0.9
241.19513	3.5
241.21640	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.4
59.21499	0.4
60.05648	1.3
69.07062	1.3
72.08163	22.3
81.82490	0.5
83.08618	7.7
85.92086	0.5
89.55264	0.6
95.08604	1.2
97.07638	3.1
97.10121	0.6
98.06050	2.2
99.01686	0.6
100.60845	0.6
109.70773	0.6
110.06058	1.2
111.08073	6.8
112.11227	1.0
114.10292	34.0
115.08691	6.7
118.80719	0.6
128.10689	5.2
131.12952	2.6
140.08192	2.6
140.10715	17.7
150.03085	0.5
172.07518	0.7
181.17001	21.1
182.15410	61.2
198.12746	1.0
199.18106	2.1
207.14957	1.2
224.17577	40.2
241.08499	0.7
241.20227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77851	0.5
56.98194	0.7
60.05643	0.9
65.70960	0.6
69.07074	19.8
72.04508	2.6
72.08170	9.3
73.04043	0.7
75.21100	0.6
77.34308	0.6
86.09701	0.9
110.06036	0.9
113.10773	30.1
114.09176	72.1
115.08703	11.9
131.11810	14.9
136.11172	0.7
151.20123	0.8
156.11331	41.9
170.09213	3.8
173.13986	33.0
199.18115	1.8
241.16815	5.8
241.20244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66987	0.7
53.29073	0.6
60.05656	1.1
63.26997	0.7
67.20253	0.8
69.07072	22.0
72.04501	1.6
72.08160	6.5
77.70356	0.6
86.09728	0.8
96.50205	0.9
98.06024	0.8
113.10781	31.4
114.09174	66.1
114.10382	2.6
115.08694	12.3
131.11800	12.6
156.11324	38.9
173.13985	34.7
189.19638	0.9
199.18074	1.3
203.51018	0.7
225.52930	0.8
241.20238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64142	0.4
60.05666	0.5
67.59235	0.5
69.06697	0.7
69.07069	19.2
72.04508	2.5
72.08159	3.8
92.18388	0.6
93.07822	0.5
98.97595	0.7
108.50191	0.5
113.09988	0.8
113.10773	29.1
114.09170	60.1
115.08693	10.7
131.11803	11.7
148.97166	0.5
156.11328	41.3
173.13980	37.3
199.18086	2.6
212.80826	0.5
241.08701	0.7
241.20226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44859	1.2
55.05534	1.4
56.20803	1.0
65.26875	0.9
67.05516	16.0
67.32231	1.2
68.02422	1.2
69.07053	2.2
71.05000	100.0
79.05504	10.7
81.07070	27.9
81.69597	1.2
83.05017	1.4
83.08642	1.4
85.06566	2.7
91.05479	7.5
92.17765	1.3
93.07056	18.7
95.08612	15.7
97.06525	2.3
98.97583	13.9
99.08076	1.9
107.08592	7.0
111.08024	1.8
111.76115	1.2
116.97240	6.7
116.98609	5.8
117.07011	6.6
117.97581	1.7
121.10145	1.8
129.07077	1.4
131.08559	6.5
131.99565	2.1
133.10139	8.0
134.99651	1.2
135.11703	15.8
141.23814	1.5
142.37737	1.3
149.13292	9.3
151.29866	1.1
152.96884	1.9
157.97516	5.4
159.11690	18.7
165.01848	1.1
170.40645	1.2
171.11723	1.8
175.98540	12.2
176.02458	1.3
176.98907	8.3
177.12755	11.9
199.14841	2.0
209.15448	2.3
241.19629	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	241.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	1.3
55.71611	1.1
60.39513	1.1
67.05511	16.1
69.03472	1.1
69.07072	2.5
71.04997	100.0
79.05486	7.2
81.06602	1.9
81.07069	40.4
83.08601	4.7
85.06546	5.6
91.05482	7.3
93.07044	21.7
95.08610	21.5
97.06534	2.6
97.24070	1.2
98.97583	12.3
103.92014	1.3
105.07005	3.1
107.08605	8.4
109.10204	1.6
111.08076	2.2
116.97227	10.1
116.98620	8.8
117.07025	5.1
117.97631	2.2
120.59432	1.2
121.10117	2.4
127.07539	1.8
127.29162	1.4
131.08551	6.6
133.10133	8.3
134.99709	2.4
135.11707	18.4
149.13245	11.1
152.97005	2.3
157.97516	3.0
158.01230	1.8
158.97763	1.8
159.11708	25.3
175.98515	11.0
176.02315	2.1
176.98773	8.5
177.12775	13.1
200.20158	5.5
209.15350	2.8
217.97377	1.4
234.71469	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	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52308	0.2
57.03436	1.0
58.06599	4.2
69.03417	1.2
70.06596	1.5
81.03390	0.3
84.05643	0.3
84.08145	2.7
85.02897	1.3
87.71072	0.2
96.08115	0.4
97.02872	0.5
98.09673	0.3
99.04449	0.4
106.02886	0.3
109.02847	0.8
115.57472	0.4
123.08624	9.7
127.03918	0.9
128.10715	2.2
144.10141	0.4
149.07086	1.7
150.07434	0.8
151.07634	1.1
164.07034	1.5
168.10213	0.3
174.12830	0.5
175.04904	0.3
180.84772	0.2
181.04910	0.4
194.73900	0.2
195.06502	0.3
196.09668	2.9
232.12592	0.3
241.07240	3.1
241.15459	100.0
245.16464	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.3
58.06610	3.7
69.03414	2.9
69.67550	0.4
70.06593	1.1
72.08151	1.9
81.03415	0.7
84.05627	2.4
84.08128	4.3
85.02893	3.1
89.90523	0.5
96.08152	0.9
97.02885	2.0
98.97585	5.5
101.00874	0.6
104.85591	0.6
109.02875	1.1
115.57430	2.2
116.98599	3.6
119.01889	2.4
123.08632	28.8
127.03919	1.2
128.10686	2.5
134.99652	1.0
140.00159	0.9
140.02379	0.6
145.04984	0.7
158.01189	0.6
160.10477	1.1
172.08240	0.5
174.12752	1.9
177.00771	0.9
196.09717	2.9
200.07727	2.9
218.05357	0.6
218.08727	3.7
227.15459	0.9
230.37782	0.5
232.12520	0.6
241.15471	100.0
245.16446	11.2
248.20740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.39965	0.2
51.71714	0.2
55.28830	0.2
58.06607	4.3
58.63959	0.2
61.54440	0.2
62.73839	0.2
70.06588	0.2
84.05635	4.1
84.08152	3.5
85.05340	0.3
85.05958	0.9
98.09717	0.5
116.47132	0.2
128.10739	3.1
144.10269	0.4
168.80463	0.2
188.18182	0.2
196.09689	3.8
241.15512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71634	1.9
51.67553	1.7
52.50631	2.0
57.03415	2.2
57.07079	2.0
62.85539	2.1
67.05503	5.2
69.07067	4.0
70.76595	2.1
79.05505	5.2
81.07051	17.5
83.08611	4.1
93.07048	24.6
95.04951	3.1
95.08616	25.7
96.27488	2.0
97.06538	2.0
97.41718	2.0
98.97582	21.0
100.84911	2.0
105.07053	3.3
107.04966	3.4
107.08617	21.4
108.55439	1.9
109.10155	3.6
116.97256	8.6
116.98618	12.4
117.07011	3.7
119.08618	4.0
121.06496	3.6
121.10153	12.7
133.10184	3.5
135.11708	48.8
141.03844	2.2
145.10130	24.3
157.97491	3.0
158.01299	2.8
163.11192	63.5
175.98576	10.4
176.98636	2.9
177.01921	2.9
181.12286	13.2
203.17873	2.7
209.11656	2.5
226.99126	2.1
227.12767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55828	0.5
55.01873	1.5
60.70697	0.7
63.75206	0.6
64.67690	0.7
65.03951	1.0
67.05492	0.8
67.53557	0.7
75.13639	0.7
81.07065	1.3
82.04195	0.8
83.03376	0.7
85.02901	0.8
87.04478	15.0
95.04958	0.9
98.97582	10.0
103.64514	0.7
105.05509	3.5
110.03696	0.8
116.98611	4.6
134.99722	0.9
153.05502	1.0
155.07002	1.4
158.01216	0.8
171.06534	3.7
177.00610	1.0
179.06995	5.0
181.04956	100.0
209.08090	35.5
241.10677	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	241.0709
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
53.50972	0.2
64.79301	0.2
69.03426	0.2
69.07104	0.3
70.06601	0.4
72.08174	0.6
79.05523	0.4
81.07085	0.3
84.05636	4.4
84.08152	1.1
85.05305	0.2
85.05978	1.4
87.04469	2.2
87.60621	0.2
88.04803	1.4
91.05476	0.3
93.07063	0.6
95.04982	0.3
95.08634	0.4
97.06538	0.6
98.97600	0.3
105.07032	4.9
105.07674	0.3
106.07357	0.4
107.04964	100.0
111.06397	0.3
115.05476	0.4
119.04934	0.4
119.08596	1.0
120.08132	0.3
121.06430	0.3
121.08367	0.3
121.10185	0.3
131.04932	1.8
131.08568	0.3
133.06502	39.4
135.04376	0.6
135.08072	0.3
135.11690	0.2
136.03981	0.3
137.04314	0.3
137.05930	0.2
137.09656	0.5
139.07558	0.4
143.04921	0.4
149.05969	1.9
152.69940	0.3
153.05461	1.4
154.05067	0.5
155.05295	0.4
159.04451	3.0
159.08063	0.4
160.05202	0.4
161.05980	51.8
163.07597	0.3
163.11215	0.4
170.07143	4.6
171.05560	3.9
177.05475	10.3
177.09090	0.3
179.10759	0.4
187.03908	5.3
195.06543	10.6
195.07967	0.4
205.04997	20.7
205.06883	2.5
205.08624	0.5
223.06030	0.9
223.07864	0.3
223.09740	0.5
241.06932	3.0
241.09174	0.4
241.13687	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	240.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.2
57.07074	6.9
57.93566	2.2
63.69795	1.0
66.14929	1.0
67.05498	2.4
68.84095	1.0
71.04974	1.1
71.08628	1.2
73.52055	1.0
76.17205	0.9
79.05480	1.6
79.77821	1.0
81.07063	8.3
83.08620	1.7
85.10177	2.4
93.07028	1.3
95.08612	13.0
98.96159	6.3
98.97591	15.2
103.81250	0.9
107.08589	1.4
109.10156	7.2
113.98467	1.3
116.97221	59.1
116.98608	6.1
121.10146	1.5
131.99551	20.9
134.95914	7.7
134.99648	1.6
135.11739	1.7
139.98877	1.3
152.96924	17.6
157.97473	38.6
157.98775	1.7
158.01221	4.5
175.98518	100.0
176.02275	8.4
183.17422	5.6
199.00163	7.6
208.06007	1.8
218.18951	1.3
240.23222	87.1
252.82816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04568	0.3
59.24446	0.2
60.05667	0.4
60.45213	0.2
60.51156	0.2
61.51296	0.2
67.58752	0.2
69.07079	1.8
73.06556	0.4
84.05634	100.0
92.17728	0.3
93.07057	0.4
98.97607	0.3
116.97242	0.4
120.18594	0.2
121.10161	0.5
124.07611	0.4
131.99503	0.2
140.04634	0.2
151.55653	0.2
157.33638	0.2
157.97455	0.8
175.98508	1.6
176.02306	0.2
180.14955	0.4
181.12215	1.3
208.14453	3.6
240.17058	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27309	0.2
57.04557	0.3
60.05644	2.3
63.72164	0.2
72.08178	0.3
77.76919	0.2
83.05008	1.6
84.05632	100.0
85.02927	0.5
85.06411	1.2
87.04472	8.1
95.04967	0.4
95.97569	0.2
96.04494	0.3
101.69975	0.2
102.06689	0.3
107.08588	0.4
108.04486	2.2
110.06052	2.4
117.07022	0.4
124.03975	1.7
125.02370	1.6
126.05540	1.4
134.09738	0.3
135.08073	1.0
136.03934	1.5
140.04672	1.6
145.06523	0.2
148.07541	0.2
154.04988	4.6
155.07178	0.2
157.49794	0.2
162.09097	0.2
163.07513	2.0
176.11855	1.0
180.10220	0.5
181.04955	0.4
181.08685	0.5
184.07126	2.5
190.06149	0.3
194.12971	0.5
199.05954	0.2
204.06573	9.0
222.07632	2.4
222.12367	11.2
240.08519	1.9
240.13448	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63729	0.7
60.05648	6.6
66.76714	0.8
68.20692	0.8
70.06570	1.2
79.05473	3.6
82.02948	12.9
84.04520	4.4
84.05632	100.0
85.00833	0.8
91.05470	3.6
93.07042	5.5
95.04971	1.1
96.04488	2.0
96.05627	3.9
96.25452	0.9
97.06522	1.2
107.08603	3.0
110.06048	7.7
112.03966	4.1
117.07010	6.5
119.08575	3.9
121.06496	14.9
122.05995	1.7
123.07937	1.9
124.08683	1.0
124.62357	0.8
134.06032	1.0
134.09651	13.8
135.08066	4.4
144.08041	1.1
145.06522	0.9
147.06772	1.1
150.09157	1.4
152.10696	4.2
154.06096	0.9
162.09146	19.8
163.07530	3.2
169.08482	3.5
170.09302	1.2
176.11836	5.5
180.10168	7.8
187.60847	1.0
204.11330	10.0
218.24222	0.9
222.12384	19.1
230.27055	0.9
240.13417	28.3
240.15659	1.6
254.04657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04562	0.6
58.36332	0.4
83.72986	0.4
84.05637	100.0
85.06409	1.9
91.05478	0.6
96.05630	2.1
98.07188	0.4
104.92094	0.5
108.92698	0.5
119.96253	0.4
158.09952	0.4
175.11108	0.4
176.11877	2.1
178.13377	1.0
194.12885	2.7
222.12338	6.6
236.61412	0.5
240.13428	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19071	0.4
57.04573	0.5
60.05661	0.4
62.63816	0.4
66.63715	0.3
83.62450	0.4
84.05639	100.0
85.06422	2.9
87.96649	0.4
92.54118	0.4
93.07037	0.6
94.12502	0.4
96.05621	1.7
98.07161	0.5
101.09153	0.4
101.32543	0.4
110.07240	0.4
113.49106	0.4
120.93937	0.4
126.37286	0.3
134.09673	0.6
142.64885	0.5
176.11819	2.8
178.13402	1.9
194.12891	2.5
210.51102	0.4
222.12376	6.9
240.13431	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67202	0.3
57.04559	0.7
58.29191	0.3
60.96995	0.3
64.07410	0.3
84.05633	100.0
85.06411	3.3
86.17330	0.3
93.07035	0.7
95.04951	0.4
96.05609	2.6
98.07255	0.3
110.07148	0.4
118.92425	0.4
134.09647	0.8
136.86639	0.3
161.10745	0.4
176.11766	2.6
178.13388	0.5
194.12823	2.3
201.03093	0.4
222.12367	6.9
232.42822	0.4
240.13419	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04570	0.7
60.05647	0.5
66.49650	0.4
72.08184	0.5
76.39535	0.4
84.05637	100.0
85.06413	4.0
93.13433	0.5
93.73643	0.5
96.05649	0.6
98.07202	0.6
100.05136	0.6
134.09656	1.7
136.11220	0.7
151.64391	0.4
176.11813	3.3
178.13385	4.1
194.12944	0.9
204.11308	0.5
222.12355	5.8
240.13438	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	240.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05625	0.6
62.82202	0.6
65.60911	0.5
68.05026	2.2
69.07075	1.0
72.05637	1.2
75.77480	0.6
83.96803	0.5
84.05637	69.9
86.06059	0.9
102.06680	0.8
105.03384	1.2
106.03748	0.6
118.68591	0.5
127.08678	1.0
128.08212	46.9
134.09659	0.9
139.41272	0.6
144.07748	1.3
152.10728	1.1
162.09142	2.4
163.07507	0.6
172.07187	9.3
180.10211	0.7
196.14537	0.7
222.12372	2.1
224.35251	0.6
240.13438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21190	0.5
57.04553	0.7
60.05645	0.5
68.05226	0.6
79.05515	0.5
83.87670	0.5
84.05636	100.0
85.06423	0.8
86.00729	0.5
96.05593	0.6
119.08549	0.6
161.07446	0.5
176.11906	1.3
177.59447	0.6
178.13480	1.2
180.10188	0.9
194.12912	0.7
222.12373	6.1
240.13425	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
57.93560	1.4
60.83249	0.6
63.02123	0.5
63.19390	0.7
71.07362	3.8
73.65800	0.7
75.94592	0.8
77.87945	0.7
86.09711	58.5
88.93884	0.7
96.22394	0.7
98.96179	4.1
98.97606	5.8
98.98453	3.3
105.89510	0.7
112.87068	0.7
113.98489	4.8
116.97223	56.9
116.98582	3.3
124.99999	72.2
126.96732	0.9
127.37002	0.8
131.99551	21.5
134.95882	11.1
139.98784	1.5
152.96941	17.0
157.97469	47.4
158.01254	0.9
170.97833	1.0
175.98523	100.0
181.02605	36.3
184.07323	1.6
193.99585	2.7
199.00119	11.1
217.61516	1.0
240.09947	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
51.09908	1.2
55.05516	11.5
57.07087	100.0
67.05514	39.9
69.07071	17.1
71.08276	2.6
71.08638	62.0
72.83388	1.8
73.51217	1.3
79.05496	1.9
81.07063	37.9
83.08626	25.8
85.10187	34.2
89.06032	1.6
95.08616	55.5
97.10162	8.7
109.10184	19.0
112.97306	1.3
123.11670	7.6
131.43617	1.4
137.13348	1.9
156.97757	1.9
192.91118	1.8
198.37082	1.7
239.23621	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	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
54.36515	0.7
55.01886	1.0
55.05519	12.4
55.37970	0.8
57.03445	1.8
57.07079	3.7
59.05005	1.9
66.07011	1.1
67.05510	19.9
69.07074	26.4
71.05000	19.8
71.08623	1.0
79.05501	7.7
81.07068	47.9
83.04979	3.3
83.08633	9.7
85.06548	50.6
87.04420	1.3
91.05468	6.5
92.18474	1.0
93.07050	25.1
95.04995	1.0
95.08610	100.0
97.06528	30.8
97.10170	4.3
99.08097	10.8
101.05994	1.3
105.07044	17.8
107.08603	32.0
109.06531	1.1
109.10162	36.3
111.08099	9.1
111.11713	3.6
113.09663	6.2
119.08580	22.4
121.10146	50.4
123.08076	1.4
123.11705	18.8
125.09631	6.1
127.11205	11.0
133.10133	17.4
135.11702	17.1
136.72969	1.0
137.09641	3.6
137.13286	10.0
139.11154	7.6
147.11691	24.2
149.13254	3.5
151.11197	1.6
153.12726	1.1
156.97748	1.2
161.13263	12.5
163.14819	15.0
165.12740	5.2
170.72771	0.9
175.14810	5.8
177.16426	10.7
181.15900	1.5
203.17950	22.7
221.19038	16.8
239.17935	1.8
239.20050	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05507	12.0
57.07076	8.8
59.04999	9.8
67.05488	8.6
69.07072	18.5
71.05011	12.7
73.98607	1.6
79.05487	8.6
81.06609	2.3
81.07063	55.0
81.86141	1.8
83.08634	17.1
85.06532	2.8
90.07837	2.0
91.05463	7.3
92.25932	1.9
93.07055	25.2
95.08608	38.9
97.06551	4.3
97.10157	9.7
99.08084	8.1
105.07076	16.2
105.99296	1.7
107.07985	2.6
107.08614	49.1
109.06533	3.1
109.10166	35.4
111.11711	6.8
113.09715	2.8
119.08577	47.4
121.10183	14.8
123.11715	31.4
125.09595	8.5
127.11170	10.8
133.10135	22.9
135.11696	100.0
137.13271	36.6
139.11186	11.5
143.10645	4.1
147.11713	24.3
149.13266	9.9
151.11195	3.2
153.12689	7.7
155.97470	2.8
156.97783	1.8
161.13263	12.9
163.14821	12.3
174.98834	1.8
177.16325	3.3
203.17972	43.4
221.18987	32.9
239.06947	2.3
239.14468	2.4
239.20020	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	239.2007
Annotation	Geranyl isovalerate
Peak:m/z	Relative Intensity
53.03960	1.1
54.22521	0.7
55.01878	1.1
55.05516	4.1
57.03447	19.0
57.07090	54.2
59.05001	1.2
66.58096	1.0
67.05173	1.7
67.05511	27.5
67.51287	0.7
69.07082	11.2
71.04700	0.8
71.05009	10.1
79.05514	11.5
81.07070	16.7
82.87165	0.8
83.04994	1.4
83.08620	2.0
85.06551	56.4
91.05472	5.7
93.07059	19.9
95.08617	48.2
97.06535	4.7
105.07037	5.4
107.08585	1.8
109.10161	13.1
110.10345	0.8
111.08096	1.5
113.09657	100.0
119.08574	5.0
121.10153	22.8
123.11702	1.5
133.10129	6.7
135.11694	1.6
137.09592	0.9
137.13313	1.1
139.11195	1.4
147.11711	4.2
155.10674	1.1
161.13408	1.5
173.11732	1.3
203.17944	3.7
239.20050	18.0
243.48009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13871	0.3
50.74619	0.3
50.99985	0.2
55.06774	0.3
58.80869	0.3
60.04521	0.3
70.06583	2.0
71.16108	0.3
72.04511	0.8
72.08162	3.3
72.93209	0.3
81.07052	0.3
81.68678	0.3
84.05625	0.6
84.08136	0.7
114.09179	8.8
126.10285	13.0
129.36913	0.3
138.12764	1.6
142.13412	0.3
143.11856	0.4
143.26921	0.3
178.13431	1.2
180.14944	7.2
184.92368	0.3
195.48743	0.3
239.18669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	0.4
61.99163	0.4
66.38908	0.4
68.89785	0.4
73.06548	0.5
74.80768	0.5
75.29485	0.5
87.04475	0.9
89.06035	100.0
96.04479	3.8
101.38338	0.4
107.07077	1.8
123.05534	5.4
124.03968	10.0
133.08611	38.8
147.89761	0.5
149.07144	1.9
151.09634	3.6
154.35970	0.5
175.05035	7.4
177.05463	1.1
177.11191	4.3
179.04526	1.0
188.61090	0.5
193.06100	9.5
195.12375	2.9
221.05771	4.2
239.06709	3.0
239.11086	0.5
239.14937	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10755	0.2
50.38043	0.3
57.51396	0.3
66.42697	0.3
67.10072	0.3
69.43201	0.2
70.06583	0.7
72.04511	1.7
72.08161	3.5
84.05614	1.8
84.08127	1.7
91.05468	0.3
93.36857	0.3
105.45297	0.3
107.29364	0.3
114.09164	9.6
125.52002	0.3
126.10280	14.0
138.12782	2.1
148.96481	0.3
178.13367	0.5
180.14964	7.3
197.17744	0.3
239.18660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75232	0.4
56.22927	0.4
63.13418	0.4
78.03461	0.9
79.04242	1.7
82.67315	0.4
105.48823	0.5
106.02924	16.8
108.04469	2.5
119.74714	0.5
120.04451	1.0
122.06078	0.4
123.04420	0.5
123.05541	1.9
124.03945	4.0
133.75423	0.5
134.04756	2.7
134.05983	0.5
135.05539	10.4
136.07578	2.4
147.05443	0.7
149.07101	95.1
165.05527	0.5
175.05023	16.8
179.04506	16.6
193.06107	15.5
195.07770	3.5
221.05539	3.8
222.11249	2.2
239.06607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73689	0.6
57.03452	1.0
58.06584	1.1
58.40228	0.6
59.06913	0.7
59.07360	0.8
60.08163	1.2
79.04225	1.0
82.01432	0.7
87.04459	0.7
87.09602	0.7
100.02462	3.1
106.02921	15.6
107.06046	0.9
108.04482	2.7
123.05561	1.0
124.03934	3.9
134.04773	1.5
135.05556	10.9
147.05527	0.7
149.07111	98.0
154.24585	0.7
170.03004	3.4
172.27835	0.7
175.05026	20.9
179.04517	19.6
193.06104	21.4
195.07587	2.8
221.05521	3.9
239.06625	100.0
239.15742	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	239.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75232	0.4
56.22927	0.4
63.13418	0.4
78.03461	0.9
79.04242	1.7
82.67315	0.4
105.48823	0.5
106.02924	16.8
108.04469	2.5
119.74714	0.5
120.04451	1.0
122.06078	0.4
123.04420	0.5
123.05541	1.9
124.03945	4.0
133.75423	0.5
134.04756	2.7
134.05983	0.5
135.05539	10.4
136.07578	2.4
147.05443	0.7
149.07101	95.1
165.05527	0.5
175.05023	16.8
179.04506	16.6
193.06107	15.5
195.07770	3.5
221.05539	3.8
222.11249	2.2
239.06607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0553
Annotation	6,7-Dihydromethylspinazarin
Peak:m/z	Relative Intensity
55.01869	0.5
55.05521	0.9
67.05518	4.0
72.08154	0.8
74.09718	0.5
79.05486	0.7
79.87826	0.5
81.07063	0.6
82.06599	0.6
83.08604	2.4
84.04513	0.6
86.03504	0.5
89.05986	0.5
91.05485	0.4
93.07040	0.9
95.04966	2.0
103.05470	10.7
105.07023	0.7
107.04971	6.0
107.08573	0.6
109.10152	2.8
110.09707	0.4
119.04913	0.7
120.99550	0.7
121.06548	1.7
123.04482	1.5
124.11197	2.5
131.04933	42.3
134.09685	0.9
135.04420	2.5
135.08070	0.8
147.04399	9.2
147.10028	0.9
149.06000	31.0
149.07089	2.8
151.03951	4.7
152.10716	6.6
156.97679	0.8
159.04407	25.9
165.05440	0.8
170.11766	7.1
175.03909	24.3
176.04684	0.5
177.05472	100.0
179.03299	0.8
187.05052	1.1
193.04967	13.1
193.08627	0.5
193.10530	2.6
197.98434	0.7
198.11293	4.7
203.03397	48.5
221.04439	54.0
221.13046	0.5
238.99951	1.0
239.05278	10.4
239.09245	0.8
239.13905	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	238.1802
Annotation	Piroctone
Peak:m/z	Relative Intensity
50.62219	0.5
50.62540	0.4
52.02971	0.3
53.74063	0.4
55.05506	0.5
57.03429	1.0
61.89222	0.3
64.53770	0.4
65.41494	0.4
67.05502	4.4
69.07085	1.1
70.95866	1.1
79.05503	1.0
81.07066	4.5
83.08604	0.5
84.08144	0.8
87.42169	0.4
91.05463	1.0
93.07031	2.9
93.79148	0.4
95.08583	0.5
96.08131	0.6
98.06052	3.2
105.07020	1.0
107.08579	0.7
111.98464	3.1
117.07011	1.0
119.81715	0.5
121.10163	0.5
131.08563	1.0
132.95837	5.0
138.12788	0.7
148.11223	0.9
150.96866	3.6
151.47575	0.4
155.97426	9.2
159.11710	2.4
173.98485	5.8
174.12767	0.9
174.96133	0.4
176.14346	3.0
197.00053	0.5
210.18561	4.0
220.16971	0.5
238.18019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48185	0.6
50.52749	0.5
54.83881	0.5
55.05503	3.1
62.26934	0.5
63.50451	0.5
73.08506	0.7
84.05634	13.6
96.05635	0.9
98.07206	0.8
105.03390	1.0
112.04514	0.6
138.10271	52.4
148.23950	0.6
150.09077	1.1
156.11343	2.4
178.12186	0.7
184.10840	1.1
192.14967	1.4
197.11658	1.3
200.22626	0.6
238.15500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37527	0.4
55.05502	2.3
57.66670	0.5
63.16135	0.4
70.06588	0.8
70.95853	0.6
72.08157	0.6
75.90489	0.4
81.07053	0.5
81.33311	0.4
84.05629	11.4
84.08149	0.7
85.10927	0.5
86.90210	0.4
88.03988	0.6
91.25894	0.5
96.05616	0.8
98.07145	1.1
105.03396	4.8
111.98475	4.2
121.04035	0.4
132.95821	4.7
138.10265	50.4
146.09676	0.6
150.96902	3.0
155.97418	10.1
156.11310	1.1
173.98491	5.9
178.12244	0.6
184.10797	0.6
192.10141	0.7
192.14990	0.7
238.15494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.4
64.51467	0.5
65.34178	0.5
70.73838	0.5
70.89389	0.5
74.02434	0.9
77.03938	0.8
84.05643	12.0
87.39063	0.5
88.03984	4.6
90.50058	0.4
95.04971	2.9
96.05621	2.2
98.07138	0.9
101.06023	0.5
105.03403	71.3
110.07159	0.7
116.03438	2.1
123.04459	0.9
128.03381	0.5
138.10271	54.6
153.05171	0.6
156.11348	0.8
178.12260	0.6
184.10777	1.0
192.06604	0.7
192.14938	1.1
220.06088	0.8
220.14345	0.8
223.97502	0.6
238.15511	100.0
244.49228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.3
55.74503	0.6
60.97662	0.7
70.95856	3.0
72.08153	0.9
72.93779	0.8
84.05624	9.8
92.18358	0.9
96.05611	0.9
105.03401	9.5
111.98483	11.3
113.96378	1.0
123.04396	1.1
129.99472	1.2
132.95833	13.0
133.34445	0.7
138.10268	54.9
138.59869	0.8
140.84467	0.6
146.09650	1.0
150.96881	8.4
155.97424	27.8
156.11308	0.9
164.91829	0.6
173.98480	15.2
178.12360	0.9
192.10184	0.8
192.15053	0.9
221.17261	0.8
238.15498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
58.03767	0.5
58.06606	7.2
59.06926	1.4
59.07386	3.0
60.07708	0.5
60.08171	3.8
61.08478	0.4
73.02924	0.3
75.04501	1.9
76.04829	0.3
77.04887	0.5
81.21980	0.2
85.02911	0.9
87.04471	2.5
88.04782	0.5
89.04875	1.0
95.45092	0.3
98.25961	0.3
105.05492	0.3
105.55048	0.3
131.07014	0.3
132.07422	0.4
132.98422	0.3
133.07475	0.6
151.00931	1.6
155.97475	0.4
164.04001	0.3
197.02875	0.4
215.04097	0.3
238.15416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.144
Annotation	9-Angeloylretronecine
Peak:m/z	Relative Intensity
55.05517	6.0
70.06586	2.2
70.95847	2.2
71.07351	1.2
72.08160	4.4
72.56451	0.6
72.93771	0.7
73.06564	8.3
78.72072	0.6
79.05489	0.8
79.22601	0.7
82.06570	0.6
82.08665	0.5
91.05457	1.4
103.05463	7.2
105.07036	6.0
106.06555	1.3
107.04964	3.8
110.51881	0.5
111.98466	7.0
116.94862	0.6
117.07015	6.5
118.06508	0.7
119.07313	0.9
120.08105	76.9
123.08627	0.7
128.43109	0.6
129.07040	1.1
129.99536	0.7
131.04929	7.4
131.08553	0.8
132.08028	0.9
132.95836	9.5
146.09624	1.2
149.05971	1.3
150.96907	5.7
155.97432	22.4
157.10173	1.1
166.08624	7.2
173.98492	12.6
174.12782	100.0
192.06572	0.7
192.10207	5.5
192.13834	84.8
196.96144	0.6
211.01022	0.6
220.09862	0.6
220.13321	23.3
221.08055	1.0
232.49612	0.5
238.10564	3.1
238.14359	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1077
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
59.67574	0.1
72.08157	0.6
77.03948	0.2
79.05477	0.2
90.05581	0.6
91.05474	0.3
92.17799	0.4
102.05508	0.2
103.05468	2.4
105.07039	5.5
107.04957	1.4
109.06362	1.5
115.05462	0.8
117.05743	1.6
119.07328	3.7
120.08096	0.3
123.04498	0.2
130.06537	2.1
131.04935	1.3
132.08098	73.3
132.95895	0.2
135.08067	5.9
135.08997	0.2
136.18695	0.1
146.09663	0.9
149.04938	0.2
150.09100	0.8
150.96970	0.2
155.97429	0.8
169.12785	0.2
173.98486	0.3
178.08650	3.5
185.39476	0.1
192.10201	100.0
203.62053	0.2
206.09262	0.3
220.09419	0.2
221.13644	0.2
229.19011	0.2
238.10745	7.3
238.14262	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.2
53.03950	0.5
55.05534	0.1
55.37149	0.1
67.82880	0.1
70.02942	0.6
74.02445	1.2
77.03944	1.2
79.05511	0.5
88.03997	5.9
95.04980	3.4
105.03401	100.0
111.98498	0.2
116.03450	2.3
120.08125	1.0
122.06046	0.8
123.04433	1.9
152.73137	0.1
155.97389	0.5
157.14737	0.1
170.61967	0.1
173.98524	0.1
174.12788	1.1
192.06578	1.5
192.13811	1.1
220.06071	2.0
220.13309	0.3
233.67091	0.1
238.07103	1.0
238.14363	1.1
244.85107	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	238.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.2
53.03948	0.7
55.50105	0.1
65.63091	0.1
70.02946	0.4
70.95863	0.2
74.02440	1.2
77.03925	0.6
79.05505	0.3
88.03994	6.8
95.04970	3.3
96.08172	0.1
96.87905	0.2
105.03395	100.0
111.98478	2.8
116.03455	2.2
120.08138	0.2
122.06044	0.3
123.04446	1.6
132.95853	2.6
135.04393	0.3
146.09604	0.3
150.09164	0.3
150.96892	2.1
155.97435	6.1
173.98482	2.9
179.07022	1.8
192.06578	1.6
192.08160	0.2
192.10153	0.3
220.06044	2.6
220.09460	0.2
238.07138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.1
53.03957	0.4
56.49234	0.1
59.32229	0.1
66.56755	0.1
70.02966	0.7
70.95876	0.2
74.02440	1.0
77.03931	0.8
79.05493	0.6
84.08177	0.1
87.04477	0.1
88.03997	7.5
95.04977	3.6
105.03402	100.0
111.98516	0.9
116.03459	2.7
122.06043	0.6
123.04431	1.9
132.95871	1.0
134.04407	0.1
135.82735	0.1
149.88464	0.1
150.96869	0.4
155.97420	2.9
165.38559	0.1
173.98531	1.2
177.05486	0.2
192.06549	1.6
192.10025	0.3
220.06049	2.9
238.07091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2214
Annotation	Bombykal
Peak:m/z	Relative Intensity
51.14940	10.5
51.20531	8.8
51.30198	9.7
55.05513	56.0
57.07078	26.6
59.20296	9.8
67.05505	52.3
69.07064	84.8
81.07068	97.3
83.08613	76.6
93.07035	30.1
95.08587	67.5
97.10153	63.1
107.08621	17.8
109.10159	48.1
121.10143	48.6
123.10861	12.0
123.11707	18.8
131.96153	61.2
135.11696	28.0
149.13248	56.3
149.97243	26.6
154.97722	53.3
163.14767	15.9
172.98836	15.7
192.36012	12.6
219.21146	100.0
237.12672	22.7
237.22104	89.6
238.40588	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	237.2213
Annotation	Bombykal
Peak:m/z	Relative Intensity
52.43720	2.4
55.05521	47.0
55.34455	2.5
57.07091	23.0
62.76797	2.7
67.05514	33.1
69.07072	74.8
71.04983	4.2
71.08631	6.6
75.39959	2.5
79.05487	13.1
81.07065	65.8
83.08623	66.5
85.06550	4.2
93.07061	24.8
95.08610	48.7
95.38358	2.5
97.06532	13.2
97.10155	39.6
107.08599	30.9
109.10155	27.6
111.08065	6.4
111.11745	10.8
113.99583	2.9
120.39612	2.8
121.10128	40.1
123.11697	16.3
127.32826	3.1
131.94804	2.7
133.83086	3.3
135.11696	45.5
137.13269	6.7
149.13309	34.2
154.32755	3.6
163.14835	19.1
177.16321	3.9
198.04480	3.0
219.21088	64.0
222.08902	3.3
232.98689	3.0
237.22112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
55.01879	1.3
55.05513	4.7
57.03428	2.2
57.07084	43.4
67.05512	44.8
69.07067	9.1
71.04992	4.0
79.05502	13.9
81.07064	40.3
83.04993	2.3
83.08609	6.2
85.06546	27.8
85.10177	1.2
91.05470	5.6
93.07049	16.9
95.04997	1.1
95.08611	49.0
97.06491	1.4
97.10174	2.4
97.96740	1.2
99.08117	1.3
105.07038	3.8
107.08585	13.7
109.06564	1.1
109.10159	31.0
111.08101	1.3
113.09650	17.7
117.07053	1.0
119.08598	8.6
121.10132	16.0
123.08083	1.1
123.11700	9.9
125.09634	1.0
127.07560	100.0
131.08543	4.3
131.96141	4.7
133.10117	2.4
135.08037	4.4
135.11707	18.5
137.09622	6.1
139.11156	2.2
145.10130	4.8
149.09642	4.0
149.97221	5.1
153.12762	4.8
154.97751	5.3
159.11688	4.1
160.76288	1.0
163.11172	4.1
170.82072	1.2
172.98836	4.0
173.13170	1.2
177.12794	0.9
177.16344	3.9
181.12257	1.1
191.17940	2.2
201.16423	7.3
213.93790	1.0
219.17419	7.2
237.12979	1.0
237.14929	4.3
237.18491	44.3
254.87003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.16
Annotation	Procaine
Peak:m/z	Relative Intensity
52.19852	0.8
53.81842	0.8
55.01863	0.8
55.05506	0.8
56.96565	0.9
57.03427	0.7
58.06583	1.4
60.04520	4.7
69.07047	0.9
69.66153	0.8
70.06596	9.3
72.08159	92.5
75.69830	0.8
76.73891	0.7
77.75500	0.8
81.07074	1.1
82.04208	1.4
82.20171	0.8
83.04989	1.0
85.02917	1.7
86.09729	1.0
87.04475	1.4
91.05468	4.2
93.07012	0.9
94.05289	4.6
95.04960	3.3
95.06097	1.4
95.08619	1.3
98.06036	1.1
103.05480	1.8
104.05315	1.3
105.03419	2.0
105.07047	3.6
107.08609	1.4
110.07160	4.2
113.06049	0.9
115.05394	1.1
115.08754	0.9
119.04920	1.7
119.08624	1.3
120.08129	1.0
121.02875	1.3
121.06502	1.1
122.03171	1.7
129.06995	3.6
131.04930	3.6
131.08600	1.7
131.84174	0.9
133.06491	1.1
133.10231	0.9
137.05977	5.1
141.07033	1.9
144.08112	1.8
145.06425	1.7
147.04300	0.9
149.06030	1.3
150.05858	4.3
151.07545	21.8
157.06511	19.0
161.09708	0.9
163.07516	1.1
166.08635	16.5
169.06520	2.1
170.09683	7.7
175.07552	7.9
177.05504	1.3
189.09026	1.1
193.04944	1.6
201.09056	1.2
205.11029	7.2
211.15582	3.5
219.06514	4.8
219.10208	1.1
220.13322	100.0
237.09163	3.1
237.11336	1.3
237.12480	1.4
237.15485	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	237.1486
Annotation	Lemnaliadione
Peak:m/z	Relative Intensity
56.37552	0.9
79.05489	6.5
81.07051	2.3
87.07843	0.9
91.05487	2.1
93.07050	15.0
96.73792	1.3
105.07026	7.3
107.08614	12.5
109.06504	2.4
117.07024	12.9
119.08585	8.9
121.06513	11.3
121.10194	1.6
123.08111	3.6
127.53542	1.0
131.08565	6.4
133.10118	5.2
135.08060	27.9
135.11670	1.9
145.06487	2.6
149.09636	9.8
149.13231	4.4
157.10170	2.0
159.08118	1.8
159.11676	17.2
159.27460	1.0
161.09583	6.6
163.07547	17.6
163.11365	1.0
169.08545	4.8
173.13217	5.6
176.20146	1.1
177.09094	8.4
177.12761	15.3
179.10707	4.8
181.08591	23.6
183.11684	11.3
185.77165	1.1
191.14371	1.9
195.10136	10.0
201.12675	8.3
219.13847	17.1
237.14845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1488
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
55.75102	2.8
55.95636	2.8
56.73490	2.7
57.03437	2.7
59.79998	3.1
60.50466	3.8
66.91178	3.8
67.05496	3.7
69.07079	3.1
71.05019	3.1
78.66595	3.0
79.05502	6.3
81.07070	15.1
83.04985	3.7
85.06519	4.7
91.05483	6.9
92.00672	3.0
93.07041	19.1
95.04936	5.3
95.08610	6.3
97.06523	6.9
105.07038	5.9
105.22137	3.1
107.08574	17.5
109.06508	7.9
109.10151	4.5
117.07034	7.1
119.08566	4.8
121.06508	19.2
121.10145	4.1
131.08531	7.5
131.96100	8.0
135.08060	21.9
135.11684	4.4
149.97244	6.3
151.69508	3.5
154.97780	5.0
159.11679	33.9
163.07553	7.6
172.98734	4.2
173.13309	14.5
177.12785	6.6
181.08658	7.3
183.11694	7.0
190.38422	3.4
201.12715	19.1
219.13722	31.0
237.05269	3.3
237.09113	3.4
237.12726	9.4
237.14810	100.0
242.09106	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	237.1487
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
55.01880	2.1
55.05511	2.0
57.03449	2.4
61.24916	2.3
65.03924	2.2
67.05498	9.0
69.07069	18.4
79.05511	18.9
81.07054	11.6
83.08629	3.1
91.05473	13.3
93.03389	3.0
93.07035	17.9
95.01309	9.0
95.04940	4.8
95.08595	8.8
105.07030	17.2
107.04962	9.8
107.08595	33.1
109.06531	9.5
109.10172	2.8
117.07035	16.0
119.08572	9.9
121.02863	8.8
121.06509	24.3
121.10131	3.9
123.00798	38.4
123.04423	17.6
123.08077	4.5
125.05965	4.0
131.08543	17.6
131.96159	9.8
133.06548	3.5
133.10114	7.7
135.08066	57.9
137.09624	4.1
139.03957	3.6
139.11224	2.7
145.06474	10.7
145.10133	10.7
149.02303	3.5
149.09616	10.3
149.13275	5.3
149.97203	3.5
151.07550	17.4
153.05478	4.2
154.97769	9.6
157.10162	7.7
159.08057	4.7
159.11714	21.3
162.28688	2.1
163.07538	42.8
167.10753	3.1
169.08615	2.5
172.98830	9.9
173.13261	11.7
175.11143	2.7
177.09052	16.1
177.12744	12.5
179.10602	3.4
181.08571	18.0
183.11655	14.9
191.14381	8.0
195.10162	53.2
201.12770	15.0
203.76996	2.4
205.08600	3.9
208.35579	2.3
209.11830	2.1
219.10321	2.5
219.13785	31.4
237.09091	3.1
237.11127	4.8
237.14850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1124
Annotation	CHEBI:66709
Peak:m/z	Relative Intensity
50.25601	3.9
55.01890	5.5
55.05521	9.2
57.07090	6.7
58.48329	3.8
64.86795	4.3
67.05500	24.2
68.99792	4.7
69.07071	23.5
71.05011	5.4
71.08633	7.8
75.96974	4.5
79.05500	39.1
81.07056	24.7
82.79136	5.2
83.04983	11.0
85.06524	8.4
91.05476	19.2
93.07061	35.4
95.01318	10.3
95.04991	8.2
95.08594	22.3
97.06519	6.7
99.08058	4.7
100.86636	5.0
105.07030	11.6
107.04956	21.3
107.08605	53.7
109.06542	9.6
109.10165	7.1
111.04440	10.4
111.08076	4.7
117.07041	10.1
119.08583	5.8
121.02836	39.0
121.06505	7.6
121.10130	24.7
123.00815	24.2
123.04451	10.5
125.06007	20.3
131.08583	23.2
131.96147	19.1
135.08076	100.0
137.02422	6.1
139.03905	24.8
139.07524	5.4
139.11169	24.8
141.05577	5.1
149.02350	21.3
149.09619	11.2
151.11145	6.3
153.05464	39.4
154.97710	10.4
155.06985	7.5
163.03850	6.6
163.07565	65.9
167.03362	4.6
167.10678	7.5
169.12297	5.7
173.13220	6.3
177.09167	26.0
177.12697	5.3
181.04958	7.0
181.08603	5.7
191.10876	5.9
193.05011	17.8
195.10172	46.5
205.08513	17.6
209.11800	10.1
219.10168	6.0
219.17542	18.0
237.07570	16.9
237.11076	55.3
237.14896	15.3
237.18472	18.6
245.21899	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	237.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74448	1.2
55.01875	5.3
55.05512	6.8
57.03436	3.1
57.07076	6.2
61.96708	1.2
67.05511	11.5
68.99789	3.2
69.07078	14.6
71.04979	3.0
79.05502	24.7
81.07064	18.2
83.01359	1.4
83.04990	1.6
85.06559	4.8
91.05470	16.9
93.03389	7.9
93.07055	18.4
95.01344	15.4
95.04958	11.4
95.08601	12.9
97.06542	5.2
99.37505	1.5
105.07040	12.8
107.04945	14.0
107.08602	43.6
109.02892	1.6
109.06522	7.2
109.10143	8.8
111.04429	3.1
117.07020	21.5
119.08576	10.0
121.02859	19.2
121.06512	15.8
121.10124	13.4
123.00790	65.7
123.04434	31.5
123.08061	7.9
123.11694	3.1
125.05977	10.8
131.08571	21.7
131.96107	5.0
133.10132	6.8
135.04427	3.2
135.08057	68.2
135.11609	4.9
137.02324	1.9
137.09634	1.7
139.03909	10.4
139.11172	3.3
145.06517	3.5
145.10141	7.3
149.02396	3.0
149.09669	11.3
149.13254	2.8
149.97220	3.3
151.07536	8.1
151.11151	7.6
153.05508	8.1
154.97755	8.7
155.08575	2.3
157.10144	5.8
159.08055	6.0
159.11703	18.4
161.09631	2.7
163.03928	2.7
163.07530	48.1
163.11157	2.5
164.21536	1.5
167.10709	9.0
169.08577	2.3
172.98833	6.9
173.13252	12.5
177.09103	17.5
177.12729	16.7
177.16408	9.6
181.08604	18.4
181.12276	5.7
183.11702	9.7
191.14357	8.4
193.04935	2.0
193.12283	2.6
195.10168	100.0
201.12781	12.9
205.08594	8.9
209.11763	3.0
213.11292	2.8
219.10115	1.3
219.13756	20.5
219.17261	4.4
237.07544	2.1
237.11240	10.2
237.14824	50.9
237.18558	5.6
243.35759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04739	9.4
55.01873	0.9
55.05515	1.8
64.34448	0.8
68.77878	1.0
69.07072	1.7
70.06594	1.5
72.08157	5.2
82.04208	93.4
82.05324	41.8
82.06588	4.2
83.04977	1.7
83.06099	4.1
84.08138	1.3
87.84779	0.9
93.04542	7.0
94.05314	100.0
94.06567	5.6
95.06094	70.4
96.06879	2.2
98.06049	7.7
100.07621	6.4
107.08575	1.0
108.05621	1.8
109.06380	2.1
110.07166	90.6
112.07608	4.1
112.08719	1.4
114.10329	0.9
117.07049	1.4
121.07632	1.8
121.10230	1.3
131.04887	1.3
135.09149	3.9
136.09923	3.7
138.06682	1.0
149.05968	1.3
149.10753	1.3
156.07648	1.6
163.03860	1.7
163.08707	1.2
174.10239	12.5
175.11121	2.2
177.05478	1.4
182.47733	0.9
191.07019	5.7
191.10541	4.1
192.11255	1.2
193.12085	9.5
219.09625	1.5
219.11316	7.3
219.13377	1.1
232.00603	0.9
237.05382	1.1
237.11035	27.6
237.15019	16.7
237.17000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1646
Annotation	Huperzine W
Peak:m/z	Relative Intensity
51.55779	2.1
51.82943	2.1
53.18174	2.1
55.05516	5.0
57.07082	17.8
58.06596	6.3
58.25742	2.0
59.07373	4.0
60.08177	4.7
79.77531	2.5
81.07042	5.3
81.61752	2.4
83.08586	6.2
93.07021	9.8
95.08553	3.0
106.22809	2.7
109.06471	4.8
120.08099	14.8
122.09705	3.2
126.44698	2.3
134.09677	6.2
134.67146	2.5
138.64883	2.9
139.41653	2.6
142.11502	2.4
147.06795	3.5
148.07578	5.7
148.94760	2.4
153.97899	3.9
161.12091	2.7
162.09148	20.2
162.44795	2.3
163.09923	40.3
166.08588	24.5
168.10281	3.1
176.14331	100.0
178.12186	4.1
188.10699	3.6
190.15868	4.8
191.16656	35.6
201.59622	2.7
204.13840	4.3
212.65524	3.2
219.16203	10.7
236.14880	93.8
236.16545	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	236.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34203	0.2
57.03448	3.9
58.06328	0.5
58.06606	9.1
59.07140	0.3
59.07394	4.3
60.07917	0.2
60.08172	4.1
73.02908	0.6
75.04493	3.1
85.02890	1.4
87.04469	5.1
98.24623	0.2
103.03944	0.5
105.05522	1.0
131.07068	1.8
134.93764	0.2
144.10243	1.2
149.01141	1.0
161.67267	0.3
162.11140	0.4
202.15318	0.2
202.72932	0.3
236.14925	100.0
259.57159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52683	0.2
51.08366	0.3
51.46369	0.3
57.03445	3.9
58.06360	0.4
58.06609	6.7
59.07389	3.3
60.08173	5.8
61.31173	0.3
63.95556	0.3
64.18182	0.3
73.02908	1.2
75.04475	3.1
85.02915	1.1
85.42690	0.3
85.46606	0.3
87.04465	4.9
93.05510	0.3
103.03927	0.4
105.05489	0.7
111.98132	0.3
131.07082	2.2
140.71674	0.3
141.78326	0.3
144.10231	1.2
149.01131	3.0
162.04271	0.5
177.06668	0.4
183.39346	0.3
192.09113	0.4
233.06477	0.3
236.08253	2.8
236.14937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46095	1.0
54.77993	1.4
57.03422	3.2
58.06595	7.2
59.07364	1.2
60.08162	5.7
73.87997	1.3
75.04478	2.3
82.55780	1.2
87.04470	1.9
121.65604	1.3
166.63866	1.3
236.14928	100.0
241.75035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57993	0.6
57.03434	3.7
57.38692	0.6
58.06604	7.5
59.07378	4.2
60.08156	4.2
63.28009	0.6
70.94250	0.8
71.79674	0.7
75.04501	1.1
87.04453	5.2
98.52083	0.7
102.76658	0.8
104.07118	1.1
109.98948	3.1
120.25636	0.8
129.11545	0.7
130.96301	1.7
144.10255	0.8
148.97409	1.6
153.97928	7.8
171.98901	5.2
198.39215	0.9
229.29767	0.7
236.14931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1282
Annotation	10-Hydroxydarlingine
Peak:m/z	Relative Intensity
50.01332	0.4
52.12589	0.4
55.05516	1.0
57.03451	4.0
58.06611	8.7
59.07383	3.5
60.08170	5.6
70.65335	0.4
72.08163	17.0
73.06561	1.0
75.04481	3.2
85.02871	0.7
87.04003	0.4
87.04467	4.7
105.05505	0.9
106.02937	2.0
114.09178	0.9
119.64577	0.5
123.04438	66.8
131.07076	2.7
135.05560	0.7
137.06020	3.1
144.10254	0.5
165.05482	33.1
177.10204	3.4
193.53642	0.5
194.08185	0.7
219.12448	1.1
236.12794	53.2
236.14973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1282
Annotation	10-Hydroxydarlingine
Peak:m/z	Relative Intensity
51.16708	0.4
53.80550	0.5
55.05519	2.7
57.03450	1.0
58.06600	3.2
59.07399	0.7
59.32978	0.5
60.08171	1.1
60.57610	0.5
64.10094	0.5
67.90009	0.5
70.06600	0.7
72.08164	22.2
73.06548	1.1
75.04483	0.8
85.02910	0.7
87.04478	1.3
114.09239	0.8
120.29263	0.6
120.76559	0.6
123.04440	100.0
137.05983	5.0
163.04036	0.6
164.04260	4.8
165.04375	5.7
165.05518	54.3
176.09117	0.7
236.12791	81.0
236.14975	41.4
251.20811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94112	0.8
59.99106	2.6
66.72064	1.1
72.08138	4.1
88.02225	24.7
89.89114	1.1
94.07421	1.4
104.07126	2.0
109.98949	2.4
116.05325	100.0
132.04788	2.6
148.02533	6.3
151.70378	1.1
153.97922	7.9
166.03558	21.4
171.98973	6.9
189.24103	1.0
236.11386	50.0
236.14891	8.4
236.17061	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	236.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61841	1.5
57.03428	2.2
58.06599	2.6
62.36777	1.5
66.06155	1.4
87.04471	2.7
133.01631	2.5
149.01131	91.8
162.04300	33.0
176.05852	3.9
177.06647	26.6
192.09032	6.7
236.07970	100.0
236.14920	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06184	0.0
54.45151	0.1
55.01851	0.1
57.03158	0.1
57.03447	3.8
58.06609	8.5
59.04987	0.1
59.07386	3.5
59.25785	0.1
60.08175	5.2
73.02924	0.9
75.04484	3.4
75.04908	0.1
84.08138	0.1
85.02909	1.3
87.04473	4.4
93.05535	0.5
101.06010	0.3
101.17149	0.1
103.03945	0.7
105.05517	1.2
109.75701	0.1
113.05974	0.1
129.05496	0.1
130.53275	0.1
131.07040	2.0
135.91917	0.1
142.21791	0.1
144.10229	1.0
149.01123	0.2
159.06532	0.3
162.11232	0.4
177.06766	0.1
218.13989	0.3
227.41692	0.1
236.14931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
55.05503	9.6
55.05743	1.3
56.97297	1.6
57.07094	12.7
61.33916	1.4
66.92700	1.2
67.05511	30.2
69.07075	15.2
71.08628	3.2
75.81008	1.6
79.05507	16.4
81.07066	47.5
83.04976	3.4
83.08601	6.9
85.06528	6.9
85.10184	2.6
91.05482	16.3
93.06468	2.2
93.07040	35.2
95.08609	55.2
97.06516	7.6
97.10185	3.7
99.08060	3.7
105.07021	16.1
107.08591	23.7
109.06457	1.9
109.10162	28.1
111.08099	2.5
113.09618	3.5
119.08588	30.6
121.10145	34.7
123.08071	3.8
123.11710	15.5
125.09515	1.7
131.56245	1.6
132.78400	1.5
133.10135	30.0
135.11694	28.7
137.09601	6.8
137.13248	11.6
139.11128	1.8
147.11690	28.2
148.18904	2.0
149.13246	11.9
151.11203	3.3
151.14830	1.9
161.13272	19.6
163.14793	2.9
171.03258	2.6
175.14816	13.4
177.16272	2.7
185.11447	1.6
189.04382	3.6
189.16364	3.2
191.17911	10.0
196.30594	1.7
210.94844	1.5
217.16217	2.2
217.19521	76.5
230.53825	1.6
235.16844	3.8
235.20558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53786	2.0
55.05501	3.2
55.52947	2.1
55.81897	2.1
57.07072	16.7
58.77409	1.8
59.95287	2.1
60.55703	1.9
67.05510	61.6
69.07074	12.6
71.08627	4.0
73.89731	1.8
74.02013	2.3
76.82198	2.2
78.67867	2.1
79.05500	15.8
81.07066	85.1
83.08624	10.7
85.06532	9.4
90.80161	2.0
91.05480	14.6
93.07071	17.3
95.08609	77.9
97.06530	5.5
97.10242	3.0
99.08116	10.7
105.07046	13.9
107.08604	14.7
109.10182	25.5
111.08096	9.1
111.27283	2.3
113.09675	4.0
119.08605	17.4
121.10162	19.7
123.08068	3.0
123.11700	22.9
133.10149	25.3
135.11746	16.6
137.13269	30.2
138.54570	2.2
141.13330	2.2
147.11673	16.6
149.13243	5.6
151.14833	15.5
153.12787	3.7
161.13228	11.8
175.14775	5.3
179.10706	3.0
189.16466	2.8
217.19530	48.0
235.14702	3.1
235.16820	9.1
235.20557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
52.85506	2.2
55.05499	4.8
57.07068	15.2
58.14135	2.3
67.05511	60.4
69.07074	19.3
71.08635	3.0
72.08177	2.9
77.76929	2.3
79.05492	17.6
81.07056	89.1
83.08617	5.7
85.06543	12.3
91.05472	15.6
93.07034	21.7
95.08610	79.5
97.06535	5.6
99.08085	13.1
101.92766	2.5
105.07046	11.5
107.08586	14.6
109.10155	27.2
111.08072	3.1
113.09655	4.4
119.08571	15.1
121.10149	25.8
123.08016	3.7
123.11670	24.4
125.09572	2.5
133.10150	22.4
135.11685	15.5
137.13229	26.3
147.11664	20.7
149.13220	3.0
151.14821	9.7
154.45320	2.5
161.13260	15.6
163.14748	2.8
175.14835	5.9
180.27884	2.4
189.16397	4.0
195.31827	2.2
217.19504	54.3
225.70201	2.4
235.14594	3.3
235.16876	8.6
235.20554	100.0
235.22867	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
54.19061	3.2
55.05513	7.0
57.07100	10.9
67.05520	40.7
69.07069	17.4
79.05499	19.9
81.07064	60.1
83.04999	3.4
83.08633	15.5
91.05479	22.3
92.18423	4.2
93.07045	28.8
95.08606	59.1
97.06516	6.7
105.07029	17.7
107.08582	18.3
109.10162	32.0
111.08105	4.7
119.08602	30.9
121.10163	44.2
123.11692	18.9
129.66725	3.8
133.10155	38.7
135.11649	32.9
137.09656	4.6
137.13277	6.2
147.11682	28.8
149.13290	5.8
150.99403	3.2
151.11209	4.3
151.14879	4.4
161.13284	23.2
165.12747	3.7
175.14828	5.5
191.17938	5.5
208.35233	3.8
217.19527	87.7
217.21501	4.5
224.85216	3.5
235.20589	100.0
248.76643	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	235.1695
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
55.05507	4.8
57.07086	6.1
64.55125	2.3
67.05514	26.0
69.03433	9.9
69.07064	11.8
71.08642	3.0
79.05502	45.7
81.07064	36.5
83.04971	3.2
83.08633	2.9
91.05500	33.6
93.07052	100.0
95.04974	12.6
95.08621	22.3
97.06531	6.3
105.07021	22.0
107.08595	41.7
109.06572	3.7
109.10166	4.4
114.33106	2.5
117.07047	3.9
119.08587	24.5
121.10147	57.5
123.08091	6.0
129.06979	5.2
130.26360	2.5
131.08595	14.9
133.06528	4.4
133.10158	23.7
135.08044	11.6
135.11707	11.1
137.09621	6.3
138.05508	24.2
143.08618	4.1
147.11708	5.1
149.09604	3.1
151.11159	3.0
171.11682	12.9
173.13298	3.0
175.14882	3.2
179.10689	3.2
189.12738	3.2
189.16446	5.0
194.11891	3.6
199.14780	6.0
207.13789	4.7
217.12274	5.0
217.15898	13.8
235.13335	8.8
235.16914	95.6
235.20590	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	235.1693
Annotation	10-Hydroxy-3-longipinen-5-one
Peak:m/z	Relative Intensity
57.07081	5.9
58.96890	4.0
69.07068	7.9
81.07059	11.4
93.07057	6.1
95.08591	24.4
105.07021	10.3
107.08582	18.5
109.10109	5.6
119.08563	96.5
131.00172	5.3
133.10133	51.9
135.08067	20.5
142.55939	5.2
145.10083	7.8
147.04483	8.4
147.08058	8.1
147.11653	20.8
157.10146	10.9
159.11700	8.0
161.09604	48.3
162.03784	4.8
173.13245	12.3
175.14795	20.2
179.10696	11.0
189.16393	26.1
193.93027	9.2
199.14798	8.9
217.15869	100.0
221.03217	6.7
227.08730	5.1
235.14684	7.1
235.16924	61.6
253.84616	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	235.1694
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03925	1.1
53.51057	1.2
55.05522	40.0
55.14180	1.3
57.07070	7.9
57.63497	1.1
59.04994	3.3
67.05493	2.2
69.03432	1.8
69.07081	1.8
72.08167	1.5
73.33965	1.2
79.05479	1.8
81.07063	12.9
83.04957	8.4
91.05476	6.1
93.07050	2.4
95.04950	7.4
95.08598	3.0
97.06519	3.1
98.79211	1.7
101.06029	9.7
105.07011	9.4
107.08581	13.1
109.06503	7.8
109.10158	19.1
115.05446	6.8
117.06989	8.7
119.04925	1.4
119.08557	22.1
121.10113	2.1
125.05995	28.1
129.06999	2.3
133.10121	12.4
133.22195	1.4
135.08072	21.7
135.11693	1.4
137.05986	6.1
137.09587	5.3
143.08510	2.2
145.06458	12.6
147.04404	2.6
147.08070	14.0
147.11678	5.3
149.09602	15.2
150.60440	1.5
151.11185	3.0
155.05994	1.4
157.10118	2.9
159.11723	2.9
160.05174	1.7
161.05934	2.4
161.09610	17.5
161.13205	2.4
162.10379	2.5
163.11172	11.2
171.11751	1.9
173.06007	11.0
173.13235	2.6
175.07555	38.9
175.11172	3.5
175.14807	3.2
179.09186	2.6
179.10681	76.0
189.09157	2.2
189.12723	1.6
189.16437	3.2
193.08588	2.3
199.14864	1.8
203.07057	1.7
207.10170	8.2
217.08556	1.5
217.12312	2.8
217.15874	37.4
235.09412	10.4
235.16916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	Buddledin B
Peak:m/z	Relative Intensity
52.64909	0.9
55.05520	40.5
56.72399	1.0
57.07090	7.6
59.04999	2.3
63.20612	1.0
65.65897	0.9
69.03427	1.3
74.92667	1.1
79.05492	1.6
81.03416	1.9
81.07052	6.8
83.04980	5.9
91.05461	1.9
93.07033	4.2
95.04947	6.2
95.08585	1.3
97.06505	4.3
103.05489	1.3
105.07005	5.8
107.04956	1.3
107.08580	8.4
109.06517	5.6
109.10150	4.7
113.96407	1.6
119.08604	10.1
121.10180	1.8
125.05999	27.5
131.08478	1.3
133.10150	11.7
135.08060	21.8
137.05952	6.8
137.09607	5.1
143.08557	1.5
145.10071	2.4
147.08104	2.0
149.09628	15.2
151.11227	2.5
157.10092	1.1
159.11732	2.2
161.09612	18.1
161.13269	2.3
162.10330	4.9
163.11131	9.2
170.91420	2.0
173.31868	1.0
175.07550	5.6
175.11171	1.7
175.14838	2.1
179.10674	74.9
181.12213	1.1
188.92458	5.7
189.09090	1.3
189.16370	4.1
191.07130	1.4
193.93048	11.7
196.78918	1.0
211.94119	7.4
217.15904	25.5
235.16927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	Russujaponol F
Peak:m/z	Relative Intensity
51.75130	2.1
52.44988	2.2
55.05527	18.0
57.07059	3.6
64.18478	2.2
67.05502	5.5
69.07068	13.0
71.04994	2.9
79.05493	13.7
81.07067	49.3
83.04997	2.6
83.08608	3.6
91.05450	18.2
93.07041	33.0
95.04998	5.1
95.08604	32.4
97.06508	4.7
101.05954	3.2
103.20159	2.6
105.07040	83.2
106.07362	37.5
107.08588	47.7
109.06522	10.5
109.10162	14.9
111.08048	3.7
113.23120	2.6
117.07001	5.1
119.08569	55.4
121.06471	4.6
121.10137	23.7
123.08051	4.5
129.06981	12.4
131.08578	23.0
133.06509	4.4
133.10129	56.6
135.08063	5.7
135.09937	2.4
135.11703	24.8
137.09680	3.3
142.07782	4.1
143.08566	39.6
144.09296	3.3
145.06458	2.8
145.10127	40.2
147.04488	2.7
147.08072	11.9
147.11717	30.4
149.09644	12.6
149.13237	3.0
156.09369	10.2
157.10139	53.7
159.11708	43.0
161.09608	10.1
161.13242	16.0
163.11169	5.9
170.10861	3.6
171.11682	38.3
172.12386	2.5
173.05887	3.4
173.13232	16.9
175.07545	44.5
175.11163	18.3
175.14821	11.8
184.12534	12.6
187.07430	3.1
187.14784	25.7
189.12761	12.1
189.16411	17.2
199.11142	3.6
199.14832	45.1
205.15800	3.9
217.15846	45.5
235.07579	13.6
235.11368	31.7
235.13733	20.9
235.16913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1696
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03958	1.1
55.01895	1.3
55.05254	1.4
55.05522	40.2
57.07092	8.6
58.06586	1.8
59.04994	5.2
60.05654	1.2
67.05519	2.9
69.03433	2.4
69.07072	2.4
71.05006	1.4
72.08142	6.9
73.97327	1.0
79.05502	13.1
81.07066	87.9
83.04969	6.4
83.08640	21.2
85.06535	2.6
89.76969	1.3
91.05474	8.1
93.07019	7.8
95.04954	6.2
95.08601	7.2
97.06543	9.5
100.03544	1.3
100.08722	1.4
104.99813	1.2
105.07047	11.9
107.08597	24.6
109.06528	20.2
109.10146	8.3
111.08062	2.5
113.09647	6.6
117.07009	1.7
119.08585	15.9
121.10165	5.3
122.09545	1.4
123.11692	6.5
125.06001	22.3
125.09620	8.2
129.07005	2.2
131.08568	2.1
131.12920	2.4
132.95816	1.2
133.10146	19.5
135.08063	18.5
135.11647	8.5
137.05936	2.6
137.09599	7.6
138.05496	6.2
143.08611	1.7
145.06520	1.7
145.10121	2.8
147.04411	18.3
147.07982	1.7
147.11700	13.7
149.09641	15.9
149.13298	1.9
149.69667	1.2
151.11182	6.7
154.58995	2.8
155.09351	4.9
155.10606	2.1
157.06508	2.1
157.10152	2.9
159.11668	8.5
161.09630	18.7
161.13275	2.0
162.10478	4.7
163.11209	7.3
171.11647	4.6
173.13231	1.4
175.07504	2.8
175.11220	5.3
175.14825	7.0
177.12729	7.0
179.10680	59.2
179.12234	2.3
189.16371	4.6
193.15912	15.3
199.14883	2.8
205.61157	1.7
217.15880	27.4
235.05971	6.0
235.09563	2.2
235.16931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.00310	0.8
54.14674	0.8
55.05523	41.6
57.07088	7.7
59.04996	3.9
67.05502	1.7
69.03438	8.7
69.07059	1.7
79.05490	7.5
81.07069	34.4
83.04988	8.2
83.08604	6.5
85.06529	2.0
91.05460	4.0
93.07055	7.4
95.04952	9.8
95.08598	5.6
97.06514	5.4
105.07045	9.5
107.08599	12.3
109.06516	13.9
109.10147	5.7
111.08078	2.3
113.09676	1.3
117.06966	1.1
117.92300	0.8
119.08584	17.5
121.10155	5.0
123.08026	4.0
123.11705	3.9
125.05122	1.6
125.05998	31.2
125.09612	4.7
131.08566	3.7
133.06395	1.4
133.10118	16.0
135.08057	21.5
135.11688	4.8
137.05988	4.2
137.09624	8.9
139.07472	1.0
143.08562	2.4
143.43375	1.0
145.10165	3.8
147.08055	4.1
147.11684	6.2
149.09636	17.5
151.11191	9.1
157.10103	4.7
159.11661	5.5
161.09621	20.0
161.13260	1.4
162.10469	2.1
163.11160	12.8
175.11176	2.3
175.14883	2.2
177.12723	2.2
179.10670	71.1
189.16336	2.0
193.15883	4.2
197.89528	1.1
199.14868	3.9
217.12508	1.6
217.15895	29.5
235.16927	100.0
249.05586	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
55.01875	9.0
57.03430	3.3
57.07081	3.7
59.77151	3.3
67.05490	28.3
69.03410	3.4
69.07043	5.4
79.05504	38.0
81.03430	4.2
81.07050	22.7
83.04961	15.2
91.05480	43.5
93.07040	46.5
95.04967	18.0
95.08611	30.7
97.02922	4.9
97.06533	80.5
101.02377	6.8
105.07047	92.0
107.04948	23.1
107.08562	17.7
109.06576	5.9
111.04415	19.7
115.05454	4.0
117.07021	20.7
119.08578	43.4
121.06513	37.1
121.10121	7.8
123.08078	46.4
129.07028	26.8
131.08582	23.5
133.06491	100.0
133.10091	16.4
135.08081	30.9
135.11710	23.0
143.08557	18.4
145.10123	5.9
147.08086	8.5
147.11684	7.2
151.07506	15.4
151.11183	16.8
155.08582	6.1
157.06508	6.9
157.10088	26.6
161.09622	9.0
161.13245	13.9
171.11671	88.0
173.06041	4.3
173.09550	5.3
175.07446	4.1
175.11180	15.4
181.10176	16.3
189.12752	38.2
193.93036	6.7
199.11171	43.2
207.13783	57.4
217.12245	56.1
235.13214	66.4
235.16676	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	235.1331
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
54.43782	1.0
55.05523	10.3
57.07070	2.9
59.05012	1.9
67.05495	2.6
69.03416	7.8
69.07053	7.1
70.95494	1.2
71.05014	4.0
79.05486	7.1
81.03344	1.1
81.07064	18.8
83.04989	29.5
83.08606	1.3
91.05463	8.0
93.06593	1.2
93.07047	16.5
95.04974	5.0
95.08636	9.6
97.06537	3.0
97.93013	1.1
99.04450	5.3
105.07037	28.3
106.07359	1.7
107.08600	24.8
109.06537	19.1
109.10129	7.1
111.04426	1.7
111.08047	2.0
115.05471	1.6
117.07021	2.0
119.04905	1.5
119.08591	27.9
121.06496	12.5
121.10130	8.5
123.07262	1.5
123.08042	11.2
125.05990	8.3
125.09586	1.2
126.28420	1.2
129.07007	4.9
131.08554	8.5
133.06502	12.9
133.10135	23.6
135.08066	13.5
135.11746	2.7
136.08868	12.4
137.06000	2.7
137.09610	14.1
138.10425	2.7
139.07536	1.3
143.08554	9.2
145.06506	1.3
145.10141	9.5
147.08044	19.4
147.11685	30.3
149.09642	21.6
151.07579	13.0
156.09297	4.7
157.06456	2.2
157.10089	6.5
158.10913	2.3
159.11649	8.5
160.08833	1.5
161.06021	13.1
161.09644	15.4
161.13266	22.4
162.10413	1.5
163.11147	1.9
171.11697	14.7
173.05988	2.0
173.13287	10.1
174.10342	5.2
175.07544	63.0
175.11183	32.7
175.14784	6.0
176.07993	1.3
176.10733	1.4
179.07004	8.1
179.10674	13.3
188.08290	6.5
189.09128	8.6
189.12758	47.7
189.16367	7.6
191.14282	5.5
193.93004	2.6
199.11143	5.0
199.14845	2.6
202.09930	10.3
203.77721	1.4
205.08554	2.1
207.10100	1.4
207.13803	2.1
217.12265	29.4
217.15794	14.1
217.64684	1.3
235.09792	8.6
235.13293	100.0
235.16858	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	235.1327
Annotation	Pterosin N
Peak:m/z	Relative Intensity
58.92137	4.1
62.36931	3.9
66.17883	3.7
66.62636	4.0
67.05507	9.7
69.07069	4.5
71.35796	3.8
79.05489	10.3
81.07050	7.0
91.05471	18.2
93.07049	28.6
97.06523	9.2
105.07045	31.3
107.04967	8.7
107.08589	7.2
109.06568	9.1
111.04439	19.7
114.12856	4.5
117.06992	8.1
119.08558	27.8
121.06508	5.0
121.10133	8.8
123.08038	7.0
123.57732	5.3
123.93150	5.4
129.06975	22.8
131.08559	10.0
133.06525	22.3
133.10107	17.2
135.08058	8.3
135.11694	6.9
137.05981	20.9
143.08604	9.0
147.11674	9.6
151.07581	27.0
157.10107	30.8
161.09514	5.1
161.13277	7.8
171.11679	77.6
173.09703	7.9
175.11206	19.3
189.12788	58.3
193.12349	4.8
193.93135	5.6
199.11197	42.7
207.13739	6.0
217.12238	100.0
235.13237	60.1
235.16992	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	235.0966
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
51.22339	0.2
52.50631	0.2
56.17822	0.2
79.24950	0.2
81.47780	0.2
88.32293	0.2
91.05482	0.2
95.89170	0.2
105.07024	0.3
115.05454	0.5
117.07065	0.3
128.06247	0.3
129.07016	2.0
132.05765	0.3
133.06511	0.3
142.83588	0.3
147.08087	1.6
157.06483	4.2
160.05148	0.4
161.05975	1.4
174.06662	0.3
175.07555	100.0
185.05972	1.2
189.09142	3.0
191.07018	1.2
193.08670	0.4
195.06760	0.3
210.08839	0.2
217.08548	1.0
235.09654	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	234.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	7.0
57.07085	4.4
58.06610	6.5
60.04525	1.1
71.08630	4.1
74.06081	9.5
86.06065	2.2
88.07640	7.8
92.21067	0.6
105.07056	2.5
118.08662	3.5
122.08153	8.5
122.63062	0.6
186.18541	60.7
189.07356	0.6
216.19608	2.9
234.20651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	7.2
57.07079	3.5
58.06613	5.6
60.04518	1.4
64.91191	0.3
68.05035	0.5
71.08635	3.5
74.06086	8.9
86.06060	1.5
88.07633	8.3
102.33947	0.3
104.07115	0.7
116.72432	0.3
118.08657	4.1
122.08135	9.4
126.20766	0.3
129.08360	0.3
147.21294	0.3
176.71573	0.3
186.18536	57.4
216.19554	2.0
234.20644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89756	0.6
53.55874	0.5
54.82108	0.5
56.05043	5.9
57.07069	3.9
58.06609	4.2
60.04523	1.0
61.22417	0.6
68.05055	0.7
71.08624	2.6
74.06084	8.3
85.22600	0.5
86.06053	0.7
88.07627	8.9
101.72813	0.6
104.07088	0.8
105.54824	0.6
113.55495	0.6
118.08640	3.8
122.08158	8.8
126.77013	0.6
140.24251	0.7
186.18532	54.0
216.19592	2.5
219.40512	0.7
234.20638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.5
56.53288	0.6
58.57678	0.6
67.05489	0.9
68.05009	0.6
69.07047	0.7
70.06578	2.9
70.30155	0.5
71.80465	0.5
72.05639	0.8
72.08161	1.5
77.32448	0.7
78.24088	0.6
79.05482	1.1
83.08607	0.6
84.05623	2.6
84.08130	3.1
86.09676	1.0
91.04910	0.5
93.07059	5.1
95.08625	2.6
96.05604	2.2
98.07182	0.9
107.08576	0.7
108.08109	0.8
110.07136	0.7
114.10293	2.8
121.10139	3.0
121.65377	0.5
136.08682	1.0
138.10260	8.9
150.10249	1.5
163.12318	1.2
164.11862	1.5
179.14145	4.0
180.15002	1.3
185.44048	0.6
192.17538	2.3
217.54781	0.7
234.19652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	7.3
57.07091	4.9
57.84583	0.5
58.06610	5.3
58.06849	0.7
60.04525	1.0
67.34528	0.5
67.98235	0.6
71.08626	3.8
73.59451	0.6
74.06084	9.2
86.06042	1.0
87.07389	0.6
88.07626	8.4
118.08636	3.9
122.08143	8.0
135.21246	0.6
151.50993	0.7
152.60278	0.7
186.18529	63.6
216.19522	1.2
234.20639	100.0
234.77219	0.7
237.91803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24677	0.6
55.05516	1.6
70.06580	1.6
72.08146	3.4
79.05485	1.6
80.45380	0.7
81.07057	0.8
84.05630	1.5
84.69563	0.6
93.07027	4.2
95.08619	1.0
96.05618	1.2
105.06999	0.8
107.08590	0.8
110.07191	0.9
121.10131	1.7
132.01180	1.0
136.08684	1.3
137.11954	1.0
138.10284	11.7
150.10248	3.3
163.03917	29.7
163.12334	1.5
164.11800	0.9
179.14165	4.2
180.15051	1.1
184.07999	0.7
188.07422	1.5
192.17587	1.3
234.11261	14.2
234.19659	100.0
244.93208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12354	0.2
67.17250	0.2
70.28678	0.1
77.03928	0.2
100.89234	0.2
103.05473	1.9
105.07038	7.1
131.03885	0.3
131.04929	19.9
175.07539	100.0
234.11317	4.6
234.14871	7.7
252.92015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67896	0.7
55.05503	3.4
59.48709	0.8
64.32703	0.7
68.95589	0.7
84.05625	5.1
93.07053	0.9
96.05601	4.5
110.07156	1.2
138.09258	1.6
138.10269	29.3
138.11330	1.0
146.72275	0.9
150.10275	15.0
161.95993	0.8
164.11858	1.6
172.13354	1.5
178.13330	1.1
179.14146	0.8
180.14957	3.3
203.32193	1.1
234.15834	5.2
234.19652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07031	0.1
58.49682	0.1
62.66530	0.1
69.87614	0.2
92.17828	0.2
103.05470	1.7
105.07043	2.4
116.57941	0.1
117.33795	0.2
131.04932	16.0
135.65332	0.2
138.10173	0.2
174.13538	0.2
175.07549	100.0
193.15804	0.2
198.13565	0.3
216.14615	0.3
234.08649	0.2
234.11400	1.6
234.14882	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	234.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41467	0.5
55.05524	5.0
57.03430	0.6
59.04989	3.4
69.07079	0.7
70.02934	3.0
70.03789	0.6
71.08637	4.8
71.82030	0.6
72.04523	9.8
72.08146	0.9
73.02931	1.0
79.05499	2.7
81.06667	0.8
81.07068	12.7
83.08639	5.3
83.09087	0.8
86.06045	0.8
86.09695	0.8
90.05558	100.0
95.06063	0.8
98.02416	13.6
99.08100	11.7
100.04009	1.1
100.11259	1.1
101.00608	3.1
101.09682	0.7
109.05830	1.1
109.06522	23.9
110.09663	0.8
116.03442	9.7
117.09122	2.6
127.07535	1.4
136.06187	1.6
138.09149	21.2
140.71307	0.6
145.08670	0.6
151.07527	0.7
156.10257	4.5
170.11713	0.7
177.05417	2.4
180.10181	2.9
188.07259	0.9
193.01749	1.2
198.11258	29.3
198.13072	1.3
198.37427	0.6
210.96893	3.5
216.12302	25.1
225.03522	0.7
234.07637	4.3
234.11304	3.3
234.13359	35.2
234.15439	2.1
234.20619	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	234.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47878	0.4
57.65247	0.4
61.58256	0.4
62.30693	0.5
78.64353	0.4
79.05502	1.0
83.19244	0.4
85.02906	0.9
95.04992	0.4
95.08624	0.9
103.05432	0.9
105.07040	100.0
109.10196	3.0
119.08598	1.0
122.09686	2.1
123.08030	0.7
123.11736	0.4
130.05026	2.5
133.10146	0.7
135.11699	2.4
137.09642	0.5
149.13269	0.6
152.53154	0.4
175.14828	1.9
193.15887	5.9
202.13448	2.4
206.11893	0.6
223.28802	0.4
234.11253	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77034	0.3
55.05508	0.4
57.07086	0.7
57.57036	0.2
72.08160	2.2
73.01147	1.3
85.02907	0.4
86.09712	7.0
88.03997	0.3
89.03925	0.6
95.18269	0.3
100.99942	0.6
101.00613	14.4
111.17514	0.3
131.03424	0.6
135.04448	2.2
145.02863	3.9
146.05978	1.9
163.03905	100.0
174.05684	0.5
177.05464	0.6
177.50174	0.3
180.06592	0.4
198.06752	0.3
203.94789	0.3
216.06493	0.3
234.11259	55.1
234.13231	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	234.1126
Annotation	Phyllantidine
Peak:m/z	Relative Intensity
51.06867	0.5
55.05521	0.7
72.08132	1.4
72.23524	0.7
76.53656	0.5
88.02217	3.0
89.03891	0.8
90.05566	3.2
116.05326	5.3
117.03356	1.2
121.06478	1.1
141.44736	0.7
145.02847	15.6
149.06027	1.3
150.04099	1.1
172.16919	0.9
176.07050	1.3
177.05473	100.0
180.46684	0.7
188.10786	0.8
191.09015	1.2
198.11214	0.9
216.09984	0.6
216.12352	1.0
219.08887	2.4
234.11429	90.5
234.14624	6.4
234.19591	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	234.1125
Annotation	Phyllantidine
Peak:m/z	Relative Intensity
51.76586	0.3
55.05508	0.3
63.02377	0.5
72.08155	1.8
86.21628	0.3
88.39388	0.3
91.11603	0.3
117.03374	0.7
117.35194	0.3
135.04411	1.8
141.59453	0.5
145.02834	2.8
163.03896	100.0
194.42758	0.4
195.46303	0.3
234.11244	55.5
236.73900	0.4
250.03098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1125
Annotation	Phyllantidine
Peak:m/z	Relative Intensity
71.53311	0.2
79.05510	1.4
85.02915	0.9
101.76293	0.2
102.05530	0.2
103.05472	1.1
105.07037	100.0
112.03961	0.2
122.09676	2.0
130.04980	3.4
146.05998	0.7
172.33798	0.2
206.11742	1.1
234.11246	60.1
237.13301	0.2
253.51624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.2
55.83355	0.1
58.99038	0.1
70.06593	0.2
72.08150	0.3
81.07054	0.2
91.05473	0.2
118.06536	0.2
119.08650	0.2
128.04965	0.8
132.04437	2.3
135.08005	0.2
146.06017	100.0
151.07579	0.2
163.02534	0.2
163.03905	5.4
170.06007	0.6
170.13644	0.2
172.07686	0.2
174.05507	12.2
177.05573	0.2
188.07120	0.9
188.10703	0.3
193.05025	0.8
198.05557	2.0
216.06566	23.8
228.82153	0.2
234.02200	0.3
234.07745	0.3
234.08607	0.2
234.11327	4.4
234.13422	1.6
234.15640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22101	0.4
70.06603	1.8
72.08150	1.0
72.93800	4.3
81.03476	0.5
84.08125	0.9
85.06525	0.5
86.06029	0.5
90.94811	0.6
91.05474	1.0
95.05002	0.7
95.06085	2.9
96.08134	0.8
108.08124	0.6
118.08688	0.5
119.04942	1.2
131.06905	0.6
136.07573	1.2
146.09659	0.6
151.07549	13.5
154.66556	0.7
164.96356	2.1
166.97896	1.2
176.07002	0.8
177.05486	2.3
177.07391	4.2
182.97366	1.9
190.13411	1.2
192.95859	0.5
193.05061	0.7
200.98384	2.0
202.16362	0.5
210.96896	100.0
216.14252	0.6
224.98552	0.6
228.97954	45.1
233.98422	8.0
234.04329	0.5
234.08324	0.8
234.11256	4.8
234.14882	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	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
52.80853	2.4
53.07583	3.4
55.05526	3.9
56.96566	5.3
57.07087	3.3
66.54816	2.9
67.05504	12.9
70.01270	3.3
73.82914	3.2
79.05499	28.5
81.07072	24.4
83.08620	4.4
91.05482	16.1
92.17790	3.8
93.07065	34.8
95.08608	14.7
99.08077	4.2
105.07021	14.4
107.08582	28.2
107.63692	3.5
109.10149	5.2
111.08098	5.6
115.78225	3.5
117.07085	4.1
119.08572	22.5
121.08977	3.3
121.10143	29.8
123.11720	5.4
131.08586	17.2
133.10135	18.2
135.11684	36.9
145.10130	20.3
147.11676	17.6
149.09500	3.8
149.13266	16.7
159.11710	24.9
161.13248	3.7
173.13263	19.1
174.09221	4.6
187.14809	5.3
192.10904	3.9
215.14342	5.7
215.17921	70.5
233.12828	16.2
233.15381	30.3
233.18994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	6.4
57.07075	3.7
63.12466	1.6
67.05524	12.0
69.07063	2.5
69.82164	1.7
69.83766	1.5
71.04981	2.4
79.05505	22.0
81.07069	22.3
83.08620	6.4
85.06541	3.6
91.05476	14.1
93.07060	33.7
95.08597	17.9
97.06528	6.5
105.07026	10.1
107.08611	26.2
109.10162	8.1
111.08086	2.6
111.76324	1.7
114.14240	1.6
117.07043	3.5
119.08597	12.1
121.10141	23.0
123.08025	2.0
123.11700	3.9
129.55313	1.5
131.08585	16.9
133.10129	17.9
135.07988	2.8
135.11710	49.8
137.09596	1.8
145.10136	20.0
147.11723	14.9
149.09645	2.4
149.13284	26.9
159.11720	18.8
161.13208	3.1
173.13275	20.1
187.14816	8.9
189.16397	3.3
215.17972	68.9
233.12938	5.7
233.15469	15.0
233.19022	100.0
245.74857	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	233.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09762	0.1
54.71338	0.2
58.06614	0.2
73.85927	0.2
80.05585	0.1
90.92561	0.2
92.02244	0.2
94.77055	0.2
95.04955	0.3
96.17491	0.2
103.30696	0.2
107.04916	0.2
107.08614	0.2
114.98684	0.2
117.06993	0.2
118.13370	0.2
119.08558	0.9
120.08063	0.4
126.80685	0.2
131.08588	0.3
132.08083	1.6
133.10107	0.2
143.07307	12.4
144.08067	1.3
145.10077	0.2
148.07568	4.6
149.09706	0.2
155.06885	0.2
158.09650	28.6
159.11685	0.2
169.10130	0.2
172.11214	0.9
175.11163	0.3
176.10707	100.0
190.08669	1.3
204.10315	0.2
207.06612	0.2
233.13148	1.0
233.16449	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	233.154
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
55.05505	6.2
57.03442	2.2
67.05495	9.4
69.03414	1.8
69.07080	10.3
71.04985	2.0
71.08597	1.5
79.05501	15.0
81.07063	58.5
83.04973	2.2
83.08615	1.4
91.05473	10.9
93.07062	22.6
95.04980	11.0
95.08617	15.3
97.06528	33.4
99.04436	1.9
99.08103	7.7
105.07033	23.9
107.04967	14.3
107.08588	19.4
109.06517	7.2
109.10139	5.9
111.08071	2.0
117.07014	9.2
119.08577	30.8
119.20949	1.5
121.06490	7.5
121.10139	9.6
123.08094	8.7
125.09644	1.6
129.06999	2.4
131.08574	32.3
133.10136	24.1
135.08109	10.1
137.09631	18.2
139.07559	2.1
142.07773	2.3
143.08578	13.8
145.06471	7.1
145.10126	52.1
147.07982	2.6
147.11684	11.1
149.09608	7.5
153.08977	1.5
155.08546	7.7
156.09357	1.8
157.10117	20.6
158.10869	2.9
159.08032	12.0
159.11687	34.9
161.09581	7.5
161.13191	2.5
163.07529	1.7
169.10124	6.4
170.07263	8.0
171.11688	17.8
172.12543	1.8
173.05943	1.6
173.09602	6.2
173.13260	35.2
174.09052	2.1
175.11189	16.2
177.09068	6.5
182.10861	8.2
185.13292	1.8
187.09514	2.0
187.11143	5.3
187.14807	36.2
187.16371	2.2
189.12801	3.4
191.14333	5.4
197.13245	18.9
202.09807	2.9
205.15921	2.5
215.10529	1.3
215.14337	42.6
226.92314	1.4
233.08089	10.2
233.11880	9.9
233.15353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Caespitenone
Peak:m/z	Relative Intensity
51.67065	6.2
52.96582	7.0
79.05518	28.1
93.07014	8.3
94.19868	7.1
97.68324	7.0
107.04948	44.0
111.76978	7.7
132.95883	9.0
133.10124	7.7
137.49078	7.8
180.64226	8.3
191.14258	60.5
205.08630	13.3
233.13026	29.3
233.15390	100.0
233.19032	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	233.1537
Annotation	Swartzianin D
Peak:m/z	Relative Intensity
50.09791	3.0
53.92155	2.7
54.40802	2.7
67.50105	3.1
68.27587	3.2
69.03451	3.5
77.20344	2.9
78.12811	2.8
78.17805	2.8
79.05493	18.7
91.64553	2.8
93.07063	4.9
95.05012	3.5
98.51717	3.1
105.07028	7.5
107.04974	39.3
107.08613	7.5
108.10101	3.1
119.08608	14.2
121.02879	4.1
121.08934	3.3
121.10086	4.7
131.08571	17.3
133.10153	6.3
145.10164	18.9
147.08054	17.1
147.11702	18.0
149.05946	23.6
149.09619	12.3
157.10120	11.2
173.09540	3.2
173.13199	24.4
175.11163	24.3
177.09053	3.5
187.14818	4.8
189.12775	6.1
190.06172	4.0
191.14317	57.1
205.08614	12.1
205.12271	11.6
215.14323	4.7
233.08041	12.0
233.13025	7.6
233.15341	100.0
233.18903	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	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.58746	1.0
55.05517	1.7
67.05495	1.8
69.07043	2.5
71.04981	1.2
81.07035	5.1
83.08611	1.2
91.05454	1.9
93.07018	2.4
105.07040	9.6
107.08575	1.8
117.06986	2.2
119.08569	10.4
121.08810	1.6
121.10116	1.7
122.04287	0.9
123.08005	0.9
131.08568	27.4
133.10115	8.4
145.10138	26.8
147.11708	1.3
149.09612	1.3
155.11765	1.1
157.10106	1.2
158.10924	7.1
159.08070	1.3
159.11716	9.0
163.11194	1.5
171.11668	5.4
172.12343	1.3
173.13251	100.0
177.09056	5.8
187.12244	5.1
187.13159	1.0
187.14825	27.9
191.10677	16.5
205.08569	1.4
215.14229	1.7
233.07959	5.7
233.12836	9.5
233.15314	65.0
245.21335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
55.01870	1.5
55.05496	3.2
55.58730	1.3
57.07066	3.2
62.77959	1.5
62.79029	1.4
63.68831	1.2
67.05495	6.6
69.03426	6.5
69.07072	1.4
69.86753	1.5
79.05490	8.9
81.07052	19.5
83.04981	3.3
85.06539	8.2
91.05459	9.9
93.07032	15.5
95.04978	3.8
95.08614	17.9
97.02891	1.6
97.06560	6.0
105.07034	16.4
107.04961	2.8
107.08601	57.9
109.06500	7.5
109.10117	2.8
111.08095	16.7
119.08583	11.7
121.06506	7.1
121.10152	23.9
122.05549	1.8
123.08066	2.3
125.09624	6.6
127.07558	3.4
130.07767	1.8
131.08589	20.5
133.10159	14.1
135.08025	7.2
135.11693	2.9
136.08868	1.9
137.09622	10.8
139.07521	3.7
141.98640	1.5
142.07797	1.6
143.08499	5.9
145.06464	3.8
145.10129	71.0
146.10880	3.6
147.08040	6.3
147.11606	3.0
149.09628	51.5
149.13203	1.6
151.20860	1.5
153.09088	18.4
159.07982	9.7
159.11676	6.3
161.09691	3.0
161.13181	2.0
163.07512	3.2
163.11179	2.6
171.11659	3.7
172.12434	1.9
173.09660	2.1
173.13271	15.7
175.07359	1.5
175.11090	10.9
177.09059	8.5
187.11122	1.8
187.14824	16.9
189.12701	7.5
191.14284	11.3
197.12909	2.0
205.15909	3.6
212.99187	1.7
215.14317	18.2
233.06055	2.8
233.08009	19.2
233.13104	3.9
233.15343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	Oculatol
Peak:m/z	Relative Intensity
55.05518	8.6
57.09447	0.6
67.05507	4.4
67.97334	0.6
69.03432	3.7
69.07053	1.0
70.06569	0.8
71.04977	1.5
72.08142	1.1
79.05488	13.6
81.03413	1.4
81.07062	94.0
83.04984	18.3
83.08665	0.7
84.08122	0.7
85.02900	1.4
85.06550	0.8
86.09713	1.8
91.05479	7.9
92.17848	0.9
93.07042	11.3
95.04958	9.0
95.08604	15.5
97.06513	3.6
102.21448	0.7
105.07033	14.0
107.04958	15.7
107.08595	41.4
109.06519	9.9
109.10136	3.2
111.08082	1.8
115.05393	1.0
117.07030	3.3
119.08584	15.4
121.06534	7.1
121.10142	2.9
123.08095	5.4
125.09631	1.6
129.06989	4.0
131.08557	12.3
133.06468	1.4
133.10109	14.5
133.81900	0.7
135.04387	0.8
135.08049	7.6
137.09651	1.3
141.07047	1.1
142.02205	0.7
143.08556	3.6
145.06503	2.8
145.10133	14.0
146.07228	1.7
147.08012	1.7
147.11659	5.9
149.09604	5.9
153.09099	2.6
155.08556	1.6
157.06548	0.9
157.10123	6.3
159.08060	9.0
159.11723	5.6
161.09605	46.6
161.13199	1.5
163.03821	0.9
163.11177	15.3
169.10133	1.4
171.11690	4.5
172.05180	0.9
172.12439	1.4
173.09621	4.3
173.13242	14.1
175.11160	18.5
178.09937	1.0
182.10870	1.3
185.13165	0.9
187.07518	7.5
187.11073	0.9
187.14827	6.4
189.12744	4.9
190.08638	1.1
191.14291	4.1
197.13297	7.6
203.06998	6.0
203.14336	3.1
215.10625	0.7
215.14320	10.9
233.07863	9.0
233.10318	2.0
233.12856	81.1
233.15376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1539
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
55.05500	1.3
57.03460	0.4
57.92070	0.4
67.05505	6.7
69.03416	2.4
69.07076	0.7
71.04988	0.6
72.08118	0.6
79.05488	4.4
81.06591	0.8
81.07056	14.0
83.04958	2.7
86.09674	3.2
91.05042	0.5
91.05495	9.1
93.07043	7.8
95.04961	10.4
95.08611	7.8
97.06537	4.6
97.07056	0.6
97.85109	0.5
103.21608	0.6
105.07034	5.7
107.04947	1.0
107.08605	7.0
108.94453	0.5
109.06532	5.3
109.10167	13.4
111.08048	0.7
112.85002	0.5
117.07011	4.4
119.08579	100.0
121.06487	2.0
121.10112	2.5
123.08046	2.0
129.06975	0.9
129.32666	0.6
131.08540	5.1
132.54341	0.6
133.06453	0.6
133.10135	10.4
133.57253	0.5
135.08032	3.3
135.11670	0.8
135.81831	0.5
137.09612	6.2
141.07011	0.9
142.07713	0.7
143.08626	0.9
145.06476	1.0
145.10110	9.9
147.08008	1.0
147.11700	0.7
149.09619	1.1
155.08556	3.2
156.09366	1.2
157.10126	4.6
159.08006	3.5
159.11688	5.4
161.09630	4.6
163.11180	2.1
166.79645	0.5
169.10103	2.3
171.11610	2.7
173.05945	1.1
173.09570	3.8
173.13283	4.1
175.11172	2.1
182.10902	2.2
185.13214	0.8
186.10376	0.7
187.07410	0.7
187.11102	2.0
187.14825	4.3
189.12738	2.7
191.14363	0.7
197.13281	6.3
215.10742	1.0
215.14314	11.2
233.08084	2.2
233.13062	2.2
233.15335	46.6
241.09956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
50.24644	0.7
55.05500	3.3
60.12856	0.7
65.03943	0.8
67.05508	7.6
69.03424	1.1
70.06573	1.0
77.04794	0.8
79.05476	3.8
81.06611	1.0
81.07056	17.3
83.04965	5.0
91.05488	6.7
91.87778	0.8
93.07065	9.7
95.04975	10.6
95.08618	9.5
97.06512	4.1
99.05242	0.9
102.22048	0.9
105.07024	5.6
107.04899	1.9
107.08590	9.2
109.06503	6.9
109.10178	10.2
117.06994	3.6
119.04987	0.9
119.08583	100.0
121.06502	1.6
121.10149	1.6
123.08125	0.8
131.08536	5.2
133.10115	10.7
135.08054	6.4
137.09621	7.3
143.08575	1.5
145.06543	1.1
145.10121	10.1
147.08099	1.5
147.11641	0.9
149.09590	5.3
155.08490	1.3
156.09306	1.3
157.06451	1.0
157.10138	3.6
159.08008	3.9
159.11638	4.4
161.05910	1.0
161.09572	4.4
163.11185	1.0
164.04245	1.2
169.10080	1.1
171.11740	1.7
172.02574	0.9
173.09613	3.5
173.13263	5.7
175.11128	6.6
179.10698	1.2
182.10817	1.7
187.07506	1.5
187.14813	4.8
191.06989	1.6
192.06639	1.0
197.13309	6.3
203.07047	7.2
215.07068	1.0
215.14339	15.3
233.07977	8.7
233.15347	65.7
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
51.05616	0.4
55.05523	0.4
55.67505	0.4
57.07109	0.4
67.05508	5.9
69.03423	0.9
69.07032	0.5
79.05505	4.6
81.07063	19.9
83.04973	3.2
91.05482	8.8
93.07064	6.6
95.04972	10.2
95.08609	9.0
97.06524	3.9
105.07047	5.8
107.04949	2.6
107.08595	9.6
109.06520	5.1
109.10163	10.6
117.07014	4.0
119.08582	100.0
121.06516	2.4
121.10168	1.1
123.08082	1.0
129.07019	1.8
131.08553	4.0
133.10146	7.6
135.08063	2.6
137.09633	6.1
143.08566	2.2
145.06461	0.7
145.10141	7.8
147.08075	0.9
147.11729	0.9
147.12956	0.4
149.09592	0.6
153.09129	0.7
155.08539	1.8
156.09335	1.9
157.10136	4.9
158.10933	0.5
159.08076	2.1
159.11716	4.4
161.09630	6.6
163.11169	2.8
167.08560	0.6
169.10135	2.4
171.11707	1.0
172.12457	0.6
173.09602	2.0
173.13248	3.8
175.11205	3.7
182.10899	2.8
185.13293	0.8
187.11174	1.0
187.14809	2.8
189.12656	0.8
191.14337	0.9
197.13264	6.1
200.11917	0.5
203.14471	0.6
215.14320	11.9
233.08052	0.9
233.15358	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	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
52.78003	0.2
55.01880	0.4
55.05522	2.6
57.07095	0.3
63.04178	0.2
67.05511	5.6
69.03436	1.3
69.07076	0.4
71.04993	0.5
79.05501	2.7
81.07066	8.5
83.05010	1.7
84.17057	0.2
85.06590	0.2
86.09709	0.3
89.91795	0.2
91.05482	8.0
93.07048	5.9
95.04970	9.1
95.08608	8.1
97.06544	5.1
104.16127	0.3
105.07042	5.4
107.04957	1.0
107.08603	5.7
109.06525	5.1
109.10166	11.3
111.08099	0.4
115.05471	0.2
117.07012	2.4
119.08584	100.0
120.41507	0.2
121.06488	2.0
121.10154	2.1
123.04415	0.5
123.08092	1.5
128.06178	0.3
129.06998	0.6
131.08559	5.1
133.06487	0.3
133.10138	9.1
135.08051	4.9
135.11641	0.6
137.09631	7.5
141.05455	0.9
142.07794	0.8
143.08607	1.7
144.09364	0.3
145.06500	0.5
145.10135	6.9
147.08049	1.6
147.11734	1.6
149.09642	1.3
151.11180	0.3
152.28709	0.3
152.29964	0.3
155.08563	2.3
156.09340	1.1
157.10136	4.4
158.10930	0.5
159.08012	2.6
159.11697	4.1
160.08829	0.3
161.09625	2.9
161.13313	0.5
163.11176	0.4
167.08562	0.9
169.10091	2.0
171.11668	2.5
172.08784	0.9
172.12454	1.2
173.09607	4.2
173.13248	3.9
175.11186	3.0
178.09897	0.4
182.10936	2.8
185.13275	1.0
186.10460	0.5
187.11163	2.3
187.14819	3.0
189.12781	2.2
191.14290	1.3
197.13257	5.7
200.11961	0.4
215.11005	0.3
215.14308	10.0
228.29356	0.2
233.15358	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Oculatol
Peak:m/z	Relative Intensity
51.29568	0.7
51.86561	0.6
55.05516	3.2
67.05505	1.6
69.03442	1.5
69.07059	1.5
71.05005	1.3
72.08163	7.4
73.08478	1.4
75.75902	0.7
79.05502	15.3
81.07063	100.0
83.04984	15.5
91.05474	4.4
93.07032	8.9
95.04963	7.0
95.08613	13.7
97.06490	2.2
100.15456	0.7
105.07034	12.7
107.04935	17.8
107.08595	39.4
109.06507	7.1
109.10147	1.9
117.07034	1.3
119.06070	1.0
119.08563	10.6
121.06474	6.8
121.10162	1.2
122.62675	0.9
123.08044	4.9
123.12508	1.0
125.09608	1.4
129.07007	1.3
131.08549	7.0
131.51828	0.8
133.10138	15.0
135.08046	5.2
137.09648	1.2
143.08571	1.5
145.10146	10.3
146.07231	1.2
147.11728	3.9
149.09657	3.6
153.09091	4.5
155.08522	1.5
156.09409	1.1
156.15842	0.9
157.10153	6.3
159.08086	1.2
159.11685	4.6
161.09612	45.7
163.11176	13.5
171.11650	3.4
172.12500	1.0
173.09572	1.7
173.13263	14.8
175.11166	18.1
182.10962	3.2
185.13235	1.3
187.08701	3.1
187.14789	3.5
189.12726	1.7
190.08615	1.6
191.14267	1.6
192.10147	1.5
197.13304	6.2
203.14374	3.9
215.07030	1.7
215.14333	10.7
233.09236	3.1
233.12862	83.0
233.15375	76.9
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
56.04782	0.5
56.05046	10.3
57.03444	1.5
57.23236	0.4
58.06608	2.9
60.60052	0.3
69.03455	0.4
69.07098	0.6
70.06601	0.5
70.92714	0.3
71.04994	0.7
72.08154	1.6
74.06087	100.0
81.65082	0.3
84.04520	4.0
86.09713	21.6
96.80637	0.3
97.02901	0.4
101.07156	3.1
103.03967	0.4
104.10786	0.8
113.02430	0.5
116.07113	0.4
127.03985	0.4
131.07080	0.5
132.10213	21.7
132.95914	0.7
134.08136	0.7
134.50758	0.4
142.12331	1.2
143.11818	0.7
152.10840	0.3
155.03453	0.7
169.13358	1.6
173.04440	0.4
177.09402	0.4
187.14417	11.2
205.09917	0.4
205.13455	0.4
215.13901	5.4
233.09978	2.0
233.12833	2.6
233.15244	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	233.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33234	0.2
56.96562	0.3
63.75870	0.3
66.52686	0.3
69.03400	0.5
70.06564	1.1
72.08124	1.3
79.05443	0.4
84.31755	0.3
85.22868	0.3
86.09677	1.6
87.54887	0.3
95.04968	0.4
105.07016	0.4
105.63189	0.3
106.06569	0.4
107.04923	0.4
128.04402	0.3
130.06538	26.6
131.08371	0.3
132.08070	2.2
132.95799	0.6
137.05989	0.6
140.07037	0.5
144.08107	4.5
146.06058	1.4
148.07605	4.2
150.96886	0.3
156.08145	0.5
158.06032	14.0
159.11700	0.5
171.03029	0.4
172.07584	1.9
174.05502	3.9
176.07072	100.0
187.14885	0.5
191.97159	0.4
192.03671	1.3
201.04214	2.1
202.08678	0.6
210.05052	0.3
215.18591	0.4
230.35150	0.3
233.09506	0.4
233.12895	14.5
233.15192	0.9
241.81818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1286
Annotation	(-)-Horsfiline
Peak:m/z	Relative Intensity
50.90589	0.2
55.01843	0.2
55.05480	0.3
58.06610	5.2
65.03884	0.2
65.75163	0.2
67.05485	0.5
67.59022	0.2
69.03406	0.4
72.08121	0.5
74.06068	0.5
79.05499	0.7
81.07069	2.4
83.04959	0.9
85.02889	0.3
86.09711	2.8
91.05444	1.4
93.07021	1.2
95.04926	1.0
95.08589	0.9
97.06491	0.3
103.05459	0.3
104.07133	0.3
105.07049	1.7
107.04947	0.4
107.08594	1.7
109.06499	0.5
109.10140	1.4
112.95253	0.2
117.07028	1.3
119.07726	0.3
119.08578	7.5
121.02868	0.2
121.06470	1.2
121.10097	0.2
123.08139	0.2
125.58438	0.2
129.07022	0.4
130.06532	95.8
131.08559	2.4
132.95909	0.3
133.06520	0.4
133.10132	1.7
135.08043	0.3
143.08600	0.6
144.08092	11.7
145.06483	0.4
145.10114	2.9
147.08046	0.5
147.11644	0.4
149.09622	0.6
155.08569	1.0
156.08064	0.5
157.10141	1.5
158.09660	0.5
159.08078	0.9
159.11662	1.9
161.09616	1.0
161.13333	0.4
162.09161	3.1
163.07596	0.2
169.07654	0.2
169.10162	1.0
171.11775	0.5
173.09669	1.8
173.13278	1.4
175.11241	1.1
176.07068	100.0
177.09076	0.3
182.10851	0.5
187.11203	1.3
187.14885	1.4
189.12787	0.4
190.08636	6.9
191.10631	0.2
191.14386	0.3
197.09755	0.3
197.13309	0.5
202.08702	0.5
205.12227	0.3
215.08842	0.2
215.10764	1.6
215.14294	2.4
233.04672	0.3
233.07875	1.8
233.12996	29.7
233.15509	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	233.1175
Annotation	6-Methoxytremetone
Peak:m/z	Relative Intensity
53.73324	0.3
56.12118	0.4
67.05494	0.7
67.30182	0.3
69.07063	0.4
72.29777	0.3
79.05503	0.5
81.07034	0.7
91.05470	0.9
93.07037	1.5
95.08631	1.2
105.07043	0.5
107.08603	0.6
117.07013	0.6
119.08596	0.7
121.06503	0.6
121.10169	0.6
131.08540	1.8
133.10100	0.8
137.05969	0.4
145.06487	2.3
145.10095	0.8
149.06058	0.6
159.11653	1.3
161.06041	0.6
163.11102	0.7
169.10112	2.0
173.05966	0.8
173.09650	1.5
175.07532	2.9
176.08307	4.7
187.07565	0.5
187.11171	1.6
190.09834	0.5
191.10681	39.9
197.09608	3.3
200.08316	1.7
203.07036	3.4
205.65424	0.4
215.10689	19.1
215.18144	0.8
233.11726	100.0
233.19084	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	233.0811
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
81.07043	1.2
91.05476	0.7
105.07063	0.7
115.05454	0.9
117.07049	1.6
119.08560	0.8
128.06201	4.0
129.07004	19.2
145.06493	4.9
145.10175	1.0
155.04922	22.6
155.05997	1.3
157.06477	11.4
159.08076	0.8
159.11630	0.7
172.05180	3.3
173.06049	5.4
173.13217	1.5
174.06798	1.0
183.04420	19.6
184.05231	1.2
187.07547	14.2
187.14795	0.8
188.08360	1.1
191.07115	1.4
200.04692	25.4
201.05513	2.6
205.08557	1.6
215.07034	100.0
233.08076	32.9
233.13278	0.7
233.15398	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	232.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82386	0.6
56.05050	5.9
57.07083	6.5
65.23590	0.6
71.08638	6.7
74.06088	21.4
88.07636	59.2
92.17848	1.2
102.05534	6.0
116.07114	1.3
120.06603	7.0
145.19464	0.6
186.18538	53.6
214.18065	6.1
232.19089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27279	0.1
53.93882	0.1
57.03443	0.3
58.06601	0.2
58.92735	0.1
58.98855	0.2
59.13303	0.2
60.08174	7.4
62.16462	0.1
67.66827	0.1
69.03437	0.3
70.03778	0.3
70.06571	0.2
71.05001	1.6
74.77798	0.2
79.76562	0.2
81.34830	0.2
85.02913	100.0
97.02920	0.2
128.04222	0.2
129.42014	0.2
144.10222	1.7
147.47728	0.2
173.08107	9.9
190.04939	0.3
232.09746	1.3
232.15436	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	232.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82861	0.2
57.03445	0.7
60.05674	0.2
60.08170	8.0
69.03424	0.2
70.06590	1.7
71.04999	1.3
71.08623	0.2
72.08165	0.2
73.02898	0.2
74.06068	0.3
78.59058	0.2
83.55416	0.2
84.04451	0.2
85.02911	100.0
86.09708	2.1
87.10041	1.3
88.07635	0.2
88.11295	0.2
95.06090	0.2
97.02891	0.2
100.11249	0.7
110.07194	0.3
112.07566	0.2
116.07085	0.3
130.09737	1.2
130.12250	0.2
133.48735	0.2
144.10222	2.2
154.12244	0.2
158.08119	0.8
161.96712	0.4
162.96832	0.2
172.13326	0.3
173.08096	12.5
176.09175	2.0
189.99681	0.2
191.00032	0.8
209.00984	0.3
214.14250	1.3
214.15593	1.0
232.15396	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	232.1545
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
57.03441	0.4
60.08172	8.1
71.04976	1.6
77.28263	0.2
85.02911	100.0
87.43465	0.2
89.06041	0.2
144.10196	2.4
147.72008	0.2
152.60558	0.2
173.08099	10.0
178.05032	0.3
190.04961	0.4
193.44179	0.2
232.09813	2.3
232.15436	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	232.0971
Annotation	p-Hydroxyphenopyrrozin
Peak:m/z	Relative Intensity
53.83950	0.3
55.05526	4.6
57.03423	0.4
65.04475	0.3
65.54073	0.3
69.03428	0.4
70.06583	2.3
72.08138	0.7
79.43585	0.3
85.02928	0.4
86.09712	2.9
97.06518	0.6
98.97609	0.3
101.00896	3.2
108.04452	0.4
118.03499	0.8
119.01923	5.5
123.08634	5.1
129.02142	0.8
137.02922	0.4
163.03899	0.4
170.04529	0.4
178.04997	26.2
186.09695	1.6
186.11188	0.4
190.04997	40.5
191.05809	2.8
196.06308	0.4
203.07057	3.0
204.10588	0.4
214.09183	4.3
214.10896	0.4
232.09706	100.0
245.16455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22289	0.5
57.07061	0.7
58.10457	0.4
68.05013	0.9
69.03423	5.3
69.07045	0.6
70.03770	4.1
70.06596	33.2
70.09564	0.5
79.05532	0.5
81.03407	2.1
82.03731	1.1
85.02903	1.3
86.03243	2.2
87.00823	1.2
89.03924	1.4
94.35540	0.7
96.04506	1.2
97.02888	3.2
98.03242	4.0
100.04778	0.8
102.05547	1.2
102.28402	0.6
105.01929	0.5
107.04942	1.0
109.02860	0.6
109.16212	0.5
110.03220	0.8
117.03355	2.3
118.25276	0.5
119.01057	0.5
127.03873	1.0
128.04260	1.1
132.24596	0.6
135.04417	9.7
145.02869	11.3
152.80515	0.6
163.03902	100.0
178.05077	0.8
186.09183	0.7
190.04990	1.1
231.13985	0.6
232.05682	0.7
232.09683	17.9
234.00854	0.7
249.89944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79917	0.4
55.05520	3.4
55.21402	0.4
56.55994	0.4
65.71423	0.4
69.03430	0.4
73.74626	0.4
84.05454	0.4
85.02911	0.4
86.56672	0.4
123.08615	1.9
135.04417	0.5
158.99695	0.4
163.03917	3.5
178.04993	24.7
178.06555	0.8
180.91479	0.4
190.04993	34.6
191.05791	2.0
203.07053	2.4
204.48256	0.5
232.09682	100.0
237.02831	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	232.0972
Annotation	p-Hydroxyphenopyrrozin
Peak:m/z	Relative Intensity
55.05524	4.7
57.20211	0.4
60.08154	0.9
63.55808	0.5
70.06592	0.7
72.08177	1.2
81.03429	1.1
81.28983	0.5
85.02914	24.4
86.09701	4.6
87.10043	4.1
102.82631	0.6
123.13448	0.5
144.10188	0.5
157.28525	0.6
160.03903	0.7
163.03934	2.5
173.08081	2.8
178.04999	26.3
190.04994	40.6
232.09697	100.0
232.15392	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	231.641
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99591	5.0
67.96017	2.9
69.07062	20.3
72.04517	4.5
72.06335	5.3
72.08167	47.8
79.05502	5.7
81.07071	12.7
83.84303	2.9
84.05614	6.4
84.08152	13.3
85.01145	4.3
86.99043	3.7
87.02653	3.9
88.03999	16.4
91.05484	4.5
91.17838	3.4
93.07054	6.7
97.01090	8.0
99.07407	40.0
107.08611	4.5
108.07922	18.8
109.10189	5.4
110.07101	4.8
112.08181	20.5
113.10751	31.7
114.09172	100.0
114.10030	5.0
114.10320	7.1
115.08678	7.1
131.08601	7.0
131.11795	4.7
133.10130	15.3
141.07483	35.4
143.11835	6.8
156.11331	26.1
157.10651	18.6
165.07338	60.7
166.11185	11.6
169.10626	15.9
172.03377	3.3
173.14006	29.9
174.60332	3.5
178.11172	85.7
187.11684	24.3
190.13368	6.3
197.14056	12.1
224.12204	6.8
235.31758	3.8
239.12128	4.2
242.13187	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	231.641
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99591	5.0
67.96017	2.9
69.07062	20.3
72.04517	4.5
72.06335	5.3
72.08167	47.8
79.05502	5.7
81.07071	12.7
83.84303	2.9
84.05614	6.4
84.08152	13.3
85.01145	4.3
86.99043	3.7
87.02653	3.9
88.03999	16.4
91.05484	4.5
91.17838	3.4
93.07054	6.7
97.01090	8.0
99.07407	40.0
107.08611	4.5
108.07922	18.8
109.10189	5.4
110.07101	4.8
112.08181	20.5
113.10751	31.7
114.09172	100.0
114.10030	5.0
114.10320	7.1
115.08678	7.1
131.08601	7.0
131.11795	4.7
133.10130	15.3
141.07483	35.4
143.11835	6.8
156.11331	26.1
157.10651	18.6
165.07338	60.7
166.11185	11.6
169.10626	15.9
172.03377	3.3
173.14006	29.9
174.60332	3.5
178.11172	85.7
187.11684	24.3
190.13368	6.3
197.14056	12.1
224.12204	6.8
235.31758	3.8
239.12128	4.2
242.13187	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	231.641
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99591	5.0
67.96017	2.9
69.07062	20.3
72.04517	4.5
72.06335	5.3
72.08167	47.8
79.05502	5.7
81.07071	12.7
83.84303	2.9
84.05614	6.4
84.08152	13.3
85.01145	4.3
86.99043	3.7
87.02653	3.9
88.03999	16.4
91.05484	4.5
91.17838	3.4
93.07054	6.7
97.01090	8.0
99.07407	40.0
107.08611	4.5
108.07922	18.8
109.10189	5.4
110.07101	4.8
112.08181	20.5
113.10751	31.7
114.09172	100.0
114.10030	5.0
114.10320	7.1
115.08678	7.1
131.08601	7.0
131.11795	4.7
133.10130	15.3
141.07483	35.4
143.11835	6.8
156.11331	26.1
157.10651	18.6
165.07338	60.7
166.11185	11.6
169.10626	15.9
172.03377	3.3
173.14006	29.9
174.60332	3.5
178.11172	85.7
187.11684	24.3
190.13368	6.3
197.14056	12.1
224.12204	6.8
235.31758	3.8
239.12128	4.2
242.13187	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	231.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04663	0.5
55.05510	3.4
60.05650	1.4
70.06588	0.9
70.55006	0.6
71.15813	0.5
71.76864	0.6
72.08163	33.0
73.06544	1.3
78.15531	0.6
84.08138	1.1
86.06083	0.7
89.10789	2.4
97.07661	7.3
98.06068	4.8
100.07000	1.0
100.07614	11.9
101.06024	5.9
106.70855	0.5
112.07615	0.8
114.10294	34.9
115.08699	12.1
130.05000	1.1
131.12935	7.0
140.07056	1.0
154.12282	12.7
162.03172	1.2
168.11398	0.8
171.11290	2.1
171.14941	10.5
172.09717	8.4
172.13321	36.2
182.09238	0.7
185.09836	1.1
189.15930	0.7
196.14450	14.9
197.12875	23.0
199.11942	5.3
213.17139	2.1
214.15355	4.1
231.11401	2.2
231.14764	9.0
231.18158	100.0
249.54727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1706
Annotation	Isoleucylvaline
Peak:m/z	Relative Intensity
53.03954	0.7
54.17368	0.2
54.24940	0.3
55.05519	4.3
55.68148	0.3
56.04611	0.2
56.05041	0.3
57.05801	0.2
69.03442	6.6
69.07094	0.3
70.06602	1.8
71.05000	0.6
72.08164	50.4
81.03436	4.2
84.05639	0.5
84.08136	0.7
85.02901	4.1
85.05983	0.3
85.06544	0.3
86.06110	0.4
86.09717	100.0
87.00842	2.2
87.10043	0.6
88.03993	0.5
88.10452	0.3
97.02905	3.8
99.04463	2.1
105.01776	0.3
108.75830	0.3
109.02891	1.8
114.09199	1.4
114.10303	0.3
115.05439	0.6
116.07111	1.5
117.07478	0.6
118.07542	2.0
118.08638	2.4
120.08097	0.4
126.09229	0.5
127.04002	2.2
132.10260	2.4
143.04930	1.3
143.08517	0.3
143.11778	0.4
160.05162	0.4
161.96686	2.5
168.10178	0.5
171.04439	1.4
171.06618	0.4
172.09738	0.5
175.07620	0.6
185.16466	2.7
188.04854	0.4
189.99854	1.7
199.03831	0.5
201.78920	0.3
203.07030	3.5
208.01012	2.4
231.06723	1.8
231.11562	3.5
231.14012	1.2
231.14687	1.1
231.17084	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	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03949	0.2
55.05251	0.2
55.05521	6.5
55.19724	0.1
56.05040	0.7
57.05824	0.7
66.56794	0.1
69.03098	0.2
69.03437	2.6
71.05004	0.3
72.08160	100.0
81.03396	1.3
83.80663	0.2
85.02930	1.2
86.09712	5.4
87.00848	0.8
97.02910	1.0
99.04443	0.4
101.00632	0.4
109.02867	0.6
127.03939	1.0
132.10205	4.2
158.06004	0.2
171.87395	0.2
176.07085	0.4
185.16547	0.9
231.17015	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	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	8.8
55.05513	0.5
55.07725	0.5
57.03445	1.6
58.85913	0.6
61.02925	1.2
67.05514	0.8
68.99786	1.2
69.03436	64.2
69.07048	0.8
71.04997	8.6
74.51381	0.6
74.51808	0.6
79.05500	0.9
81.03429	42.0
81.07062	0.7
83.01323	1.1
85.02914	33.9
87.00836	32.6
93.07075	1.4
95.08605	1.1
97.02898	100.0
99.04462	19.1
105.01884	13.1
107.08574	1.0
109.02886	21.7
117.06997	0.8
119.08582	1.2
121.10143	1.0
127.03925	37.1
129.01868	1.2
131.08548	0.7
133.04968	3.5
137.09593	0.8
143.08507	0.9
143.34747	0.7
145.04987	2.9
145.10127	1.2
157.05040	4.5
171.11696	1.2
175.07497	0.7
185.13278	1.1
213.03923	1.3
213.12625	0.7
213.16367	1.1
229.74968	0.7
231.04747	6.4
231.10196	2.7
231.13898	4.3
231.17551	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24464	0.8
53.03963	14.3
55.01884	0.8
57.03438	2.2
61.02930	1.3
62.16229	0.7
63.78952	0.8
65.12408	0.7
68.99811	0.9
69.03436	100.0
71.05003	13.6
72.17419	0.8
76.81243	0.9
81.03427	58.7
83.01361	0.9
85.02908	52.3
87.00837	35.7
97.02895	52.0
99.04459	30.3
100.64728	1.0
105.01861	8.1
105.07040	1.1
109.02879	30.4
127.03921	37.4
145.04947	3.9
163.03693	0.9
213.03918	6.0
231.04884	9.1
231.13765	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	230.9904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03598	38.8
70.06605	45.6
73.39567	40.4
90.57417	47.9
97.29691	50.7
105.00176	100.0
123.01229	71.6
145.03470	68.1
185.01311	59.3
185.03008	98.5
231.16119	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03745	0.7
53.03963	12.4
54.64392	0.5
55.01880	1.2
55.05526	1.0
57.03438	4.2
58.22633	0.5
61.02933	1.1
67.05519	1.4
68.99783	1.5
69.03439	100.0
69.07059	0.8
70.06615	0.6
71.04996	17.6
72.08137	1.2
75.81134	0.6
81.03428	53.2
81.07077	1.1
83.01349	1.1
85.02911	60.1
87.00837	40.1
92.18386	1.0
97.02898	38.5
99.04462	34.7
101.52602	0.7
105.01855	6.7
106.28402	0.7
109.02888	32.5
109.10165	1.7
122.35517	0.7
127.03922	41.5
145.04997	3.1
159.08360	5.6
195.10130	1.5
213.03943	5.7
231.04974	10.0
231.13963	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	230.2478
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
57.07086	9.8
58.06591	1.4
59.95167	0.3
62.06099	8.4
66.93465	0.3
71.08636	6.1
85.10165	2.2
148.47919	0.4
177.52730	0.4
212.23729	8.3
230.24786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31352	0.4
57.06839	0.7
57.07086	11.9
57.46728	0.4
58.06601	1.7
60.55161	0.4
62.05806	0.4
62.06102	9.5
71.08633	6.0
71.24145	0.5
82.44980	0.5
85.10175	3.1
87.95585	0.4
92.17862	0.7
94.98721	0.5
212.23734	8.6
230.24791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22582	0.5
54.86125	0.6
58.49540	0.6
59.02995	0.7
60.05660	100.0
60.08187	0.8
62.46792	0.6
62.89331	0.8
69.07065	3.1
71.05005	10.2
73.06570	0.7
79.05492	1.5
81.07063	15.9
93.07052	11.3
95.08626	0.8
107.08592	8.4
109.10147	2.7
124.84334	0.7
127.03258	1.1
135.11700	17.3
153.12732	14.1
199.47130	0.7
221.98772	0.8
230.18645	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05059	0.8
58.06598	0.9
60.05656	9.6
61.04028	1.2
64.19840	0.8
69.07079	7.1
70.06597	1.2
72.05646	81.1
79.05501	1.7
81.07056	1.6
84.08146	1.0
86.06081	1.1
93.07059	12.7
93.49862	0.9
95.08575	1.4
96.08120	1.7
107.08606	12.0
109.10145	5.0
123.11687	6.0
125.09504	4.5
127.03264	2.0
131.07339	8.2
135.11713	13.2
152.14328	9.6
157.52939	0.9
194.16518	14.6
212.17596	27.2
230.11812	4.7
230.18639	100.0
241.47414	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.8
55.05521	32.8
56.05042	23.6
67.05509	44.6
69.03435	17.2
69.06696	3.0
69.07072	77.1
70.02962	2.6
70.06591	8.3
71.04993	3.0
72.08168	1.7
74.02449	24.3
75.84029	1.1
79.05499	19.7
81.07068	47.1
82.06571	2.5
83.04979	3.0
83.08622	15.4
85.06573	1.2
86.06055	2.4
88.03996	62.5
91.05479	7.6
93.07050	35.9
95.08623	12.8
96.08121	3.2
97.06527	14.7
97.10172	43.0
98.06055	3.1
105.07034	13.9
107.08599	41.9
109.10167	17.3
111.08088	5.5
116.03462	26.1
117.07014	5.6
121.06535	2.1
121.10133	8.4
125.09645	32.7
127.03270	7.1
131.08606	6.4
133.10178	2.3
134.04497	90.9
135.08051	7.6
135.11708	16.3
139.07492	1.2
149.13277	34.5
153.09076	2.2
159.11659	10.0
166.15877	1.4
167.14345	2.6
171.10110	6.0
176.14360	1.4
177.12759	10.0
186.10573	2.1
189.11220	4.5
189.12718	1.6
194.15417	52.1
195.13773	13.1
195.33128	1.3
212.09230	5.6
212.16449	100.0
213.14818	14.1
230.09857	3.3
230.11836	5.6
230.15486	3.0
230.17538	6.6
230.21082	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	230.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.8
55.05521	32.8
56.05042	23.6
67.05509	44.6
69.03435	17.2
69.06696	3.0
69.07072	77.1
70.02962	2.6
70.06591	8.3
71.04993	3.0
72.08168	1.7
74.02449	24.3
75.84029	1.1
79.05499	19.7
81.07068	47.1
82.06571	2.5
83.04979	3.0
83.08622	15.4
85.06573	1.2
86.06055	2.4
88.03996	62.5
91.05479	7.6
93.07050	35.9
95.08623	12.8
96.08121	3.2
97.06527	14.7
97.10172	43.0
98.06055	3.1
105.07034	13.9
107.08599	41.9
109.10167	17.3
111.08088	5.5
116.03462	26.1
117.07014	5.6
121.06535	2.1
121.10133	8.4
125.09645	32.7
127.03270	7.1
131.08606	6.4
133.10178	2.3
134.04497	90.9
135.08051	7.6
135.11708	16.3
139.07492	1.2
149.13277	34.5
153.09076	2.2
159.11659	10.0
166.15877	1.4
167.14345	2.6
171.10110	6.0
176.14360	1.4
177.12759	10.0
186.10573	2.1
189.11220	4.5
189.12718	1.6
194.15417	52.1
195.13773	13.1
195.33128	1.3
212.09230	5.6
212.16449	100.0
213.14818	14.1
230.09857	3.3
230.11836	5.6
230.15486	3.0
230.17538	6.6
230.21082	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	230.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.5
58.06588	2.8
59.06915	0.5
60.05654	2.0
60.08177	6.5
70.06599	13.8
71.06928	4.2
72.08164	15.5
72.93768	0.7
73.08482	4.1
73.22419	0.5
74.09729	11.6
84.04491	2.9
84.05641	6.4
84.08124	3.3
85.02882	3.1
85.82867	0.5
86.06054	0.7
86.09635	0.7
93.07037	0.8
96.05567	0.7
96.08121	0.7
98.06055	0.8
99.04432	0.8
99.06345	0.7
100.07616	5.3
101.10181	0.9
101.10795	17.9
113.10728	0.8
113.96402	5.8
114.05504	3.5
114.06622	0.6
114.09187	0.7
115.05879	0.7
116.96371	2.0
124.07526	0.9
126.02489	0.8
127.03326	3.9
128.07039	1.0
129.10251	0.8
130.04999	8.2
131.97423	1.1
139.12325	12.8
141.00066	0.9
142.08656	7.9
143.09007	14.8
150.58801	0.5
158.08044	0.9
158.09206	3.8
159.09665	7.3
159.22568	0.6
167.11836	4.4
171.08398	0.7
176.11905	0.6
184.14426	5.9
185.12894	6.0
186.10194	1.4
188.10226	1.2
194.12836	2.9
198.08665	0.7
212.10220	0.7
212.14008	7.7
213.12349	52.3
230.15448	100.0
251.21486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
69.07051	1.8
76.53337	0.4
80.05032	0.5
83.08624	5.3
84.05637	19.2
85.06581	0.5
93.07038	1.1
93.81226	0.4
94.81609	0.5
96.05625	3.7
110.07138	3.3
111.08087	4.1
122.07155	23.4
123.07917	2.9
124.08720	12.7
129.09128	8.1
132.24873	0.5
134.09656	1.1
140.08221	0.7
152.10706	2.9
166.13382	3.1
176.10255	0.8
176.11832	33.5
194.12903	86.3
201.09203	0.5
212.13950	100.0
230.15036	10.1
237.59738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18489	0.3
55.05514	1.4
69.07066	2.0
69.19096	0.4
71.04987	0.7
75.33977	0.3
80.05025	2.2
83.08620	5.5
84.05637	23.5
85.06538	0.5
93.07040	0.6
96.05611	3.8
98.07182	0.4
99.69724	0.4
110.07168	4.6
111.08092	5.1
122.07154	27.2
123.07963	3.5
124.08714	15.7
129.09116	8.6
134.09648	2.0
136.08734	0.5
140.08191	1.5
147.84648	0.3
152.10716	4.9
166.13387	4.0
176.11830	38.2
183.11339	1.5
194.12897	100.0
212.13947	95.9
230.14995	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	230.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13348	0.2
70.06599	0.3
72.67981	0.2
80.62142	0.2
99.04469	1.0
102.13683	0.3
116.98786	0.3
127.03214	0.4
129.66434	0.2
130.06548	1.5
131.07312	100.0
132.08095	5.0
144.08070	1.1
147.35895	0.2
184.11188	6.3
194.09666	0.5
197.08366	5.6
212.08702	0.4
212.10703	12.5
230.11769	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	230.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77291	0.6
71.04986	0.7
79.90033	0.6
86.06036	0.9
91.06637	0.6
94.74210	0.7
99.04454	5.4
121.67144	0.6
130.06461	1.5
131.07312	100.0
132.08093	8.7
144.08102	1.5
152.91823	0.7
157.08873	1.4
166.94456	0.7
169.08853	3.6
184.11205	32.8
192.68329	0.8
194.09712	3.9
197.08354	51.8
203.94229	0.7
212.10704	81.2
230.11786	64.3
242.25244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68012	0.2
54.31491	0.2
55.05510	0.2
56.05051	0.2
60.08171	1.3
60.49934	0.2
62.88772	0.2
63.30645	0.2
67.05515	1.5
69.07076	100.0
70.02956	1.2
70.06590	0.4
72.08163	0.2
74.02447	6.3
75.96197	0.2
81.07065	1.8
84.04510	0.8
84.08156	0.4
86.09716	1.1
88.03998	17.9
93.07056	0.3
97.06535	22.4
98.06031	0.2
100.63351	0.2
106.90709	0.2
107.04947	1.3
107.08606	0.7
114.09171	0.4
115.07571	0.4
116.03455	9.9
116.07072	0.3
116.95964	0.2
121.10100	0.4
123.08088	0.3
123.11697	0.2
124.07593	0.2
126.09181	0.2
127.03272	4.9
129.10213	0.3
131.07341	0.3
131.08586	0.4
134.04495	47.3
138.12776	0.7
148.11243	0.4
149.09659	1.4
166.12268	5.5
173.99655	0.2
184.09712	0.4
184.13341	5.4
186.10600	1.4
212.09172	3.0
212.12749	0.8
212.16347	0.3
230.10081	3.3
230.13785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07835	0.3
53.00319	0.3
58.76769	0.3
60.08188	0.4
61.45888	0.3
67.05507	0.6
69.07075	73.0
69.14592	0.3
70.02959	2.6
70.06598	0.3
72.08158	0.5
74.02448	24.8
74.02869	0.8
78.80264	0.3
79.71743	0.3
82.13976	0.3
82.93105	0.3
83.36417	0.3
86.06078	0.5
88.03996	65.3
89.02368	0.3
94.32954	0.3
97.06520	3.7
99.00837	0.4
112.20269	0.3
114.09171	0.7
116.03453	27.7
124.07616	0.4
127.03258	0.8
134.04492	100.0
159.06783	0.4
166.08647	0.5
170.08098	0.4
184.09685	1.9
191.38469	0.3
212.09183	4.4
230.10118	5.7
230.12209	0.3
230.15356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.096
Annotation	Ergothioneine
Peak:m/z	Relative Intensity
53.50523	0.2
58.99588	0.3
60.08172	26.6
67.04234	0.4
68.05041	2.9
69.05820	3.9
70.06602	1.6
86.00649	2.7
86.09703	2.9
87.10036	1.8
88.36482	0.2
94.10060	0.2
95.80735	0.2
98.06049	0.3
99.01422	0.2
100.02204	4.0
116.07068	3.8
117.07434	3.0
122.51209	0.2
126.02492	1.1
127.03268	100.0
143.02780	2.0
153.01155	0.3
156.10178	0.4
171.02225	1.3
171.07779	0.5
186.10608	35.6
197.06161	0.3
198.12056	0.2
230.09583	15.2
230.11871	0.5
230.13730	0.7
230.15738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
60.05648	0.5
71.08627	3.3
72.07803	0.7
72.08162	14.9
97.07643	2.5
99.08086	7.1
105.07047	0.6
114.10296	31.2
114.11100	1.1
115.08691	9.0
116.10767	0.9
122.29028	0.6
128.10701	3.5
169.16995	25.3
170.15401	76.8
183.09195	3.6
187.18095	3.7
188.66460	0.6
212.17583	34.5
229.09824	2.6
229.20233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71715	0.4
60.05666	0.5
64.92436	0.4
70.46056	0.4
71.08273	0.4
71.08635	4.4
72.08160	13.9
73.04036	0.8
97.07640	2.5
99.08097	7.0
109.43062	0.5
114.10294	34.8
115.08682	8.5
116.10740	1.0
122.92754	0.4
128.10733	3.9
130.05818	0.5
131.12842	0.5
143.68811	0.4
148.32281	0.5
151.79030	0.4
169.16995	25.1
170.15402	81.8
183.09064	0.8
187.18057	4.7
212.17589	35.7
229.20232	100.0
238.85623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70795	0.2
54.31384	0.2
55.05510	0.3
55.47159	0.2
56.93289	0.2
58.28569	0.2
60.05637	0.3
70.06588	1.5
71.08634	4.4
72.08160	14.3
73.04068	0.4
73.13784	0.2
74.65075	0.2
81.07037	0.3
86.09683	0.3
92.35574	0.3
97.07659	2.7
98.06082	0.5
99.08097	8.6
109.10227	0.2
114.10291	32.8
115.08688	9.2
116.07039	0.3
116.10749	1.3
128.10722	3.3
131.12898	0.5
140.27522	0.3
146.03915	0.2
169.16995	24.5
170.15395	80.0
185.09814	0.3
187.18057	3.6
194.12567	0.4
201.57190	0.2
211.15167	0.6
212.17574	35.7
229.20229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45204	0.5
60.05642	0.8
71.08618	4.2
72.07810	0.8
72.08161	17.7
86.11636	0.6
95.89977	0.6
97.07640	3.0
99.08095	7.8
107.13677	0.7
114.10287	31.2
114.11094	1.0
115.08693	9.4
128.10709	2.6
169.15594	1.2
169.16988	23.8
170.15387	83.8
187.18037	2.8
212.17564	38.0
226.82851	0.6
229.20226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24994	0.2
55.05520	0.4
55.62155	0.2
60.05659	0.9
67.05519	0.2
70.06602	2.2
70.53856	0.2
71.08638	4.4
72.08163	18.6
73.04041	0.5
81.07048	0.4
86.09692	0.4
87.42947	0.2
93.07037	0.3
95.08603	0.4
97.07665	3.0
98.06066	1.3
99.08102	8.8
105.07036	0.3
106.95779	0.2
109.10167	0.3
114.10298	36.7
115.08696	10.1
116.10726	1.5
119.08573	0.3
125.09668	0.3
128.10738	3.9
131.12987	1.0
143.08551	0.3
147.07959	0.2
159.08008	0.3
160.07613	0.4
169.17001	25.5
170.15407	87.6
183.11644	0.4
184.47404	0.2
186.09135	1.1
187.18062	4.0
192.18483	0.2
199.47714	0.2
205.98813	0.4
211.11253	0.4
212.17593	38.7
229.12314	1.2
229.20241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	2.8
60.05659	0.7
60.08180	6.4
62.60852	0.6
70.06600	19.5
72.08165	53.9
84.05635	17.4
92.17784	0.7
99.04470	0.9
102.67448	0.6
110.69286	0.6
114.05544	3.0
124.07597	5.0
124.13939	0.7
138.10275	4.0
140.08264	0.8
142.07535	0.8
142.08650	30.9
158.09261	63.2
170.08133	2.6
185.49385	0.7
190.18478	0.6
212.13972	5.0
229.15518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57022	0.7
58.06600	1.9
60.08171	5.7
60.08430	0.7
63.41541	0.8
64.59599	0.8
70.06599	17.9
71.89952	0.8
72.08162	79.3
76.42065	0.8
84.05633	27.5
118.70409	1.0
119.34484	0.9
124.07647	3.1
127.77918	0.8
133.85567	0.8
138.10255	3.3
142.08650	27.8
152.10750	1.1
155.12930	1.4
158.09250	99.2
212.13887	6.9
229.15477	64.5
229.16606	100.0
237.06340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Leucylproline
Peak:m/z	Relative Intensity
60.05656	1.0
67.40074	0.3
68.52852	0.2
69.07072	0.4
70.06596	17.2
72.08137	0.3
73.38673	0.2
74.63718	0.2
78.84294	0.2
79.70639	0.2
83.04983	0.3
84.05624	1.4
85.05990	0.3
86.09712	61.7
103.52822	0.2
116.07096	100.0
131.40213	0.2
211.16318	2.4
229.13794	0.4
229.15451	10.6
229.17404	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	229.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67471	0.9
54.30017	0.9
58.06600	5.7
59.07384	1.2
60.08173	8.1
60.65745	1.1
62.35382	0.9
70.06594	18.7
72.08159	67.4
84.05630	23.7
84.08194	1.0
85.47411	0.9
102.21133	1.0
103.23144	0.9
110.26232	0.9
110.47137	0.8
114.05521	1.7
114.09164	1.0
124.07573	3.8
127.65589	0.9
138.10254	2.5
142.08646	33.9
156.83519	1.1
157.36232	1.0
158.09250	89.3
170.08151	3.4
175.04607	1.2
184.04532	2.3
212.13876	7.2
229.06729	1.8
229.15471	100.0
229.16589	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Pro Ile
Peak:m/z	Relative Intensity
50.89393	0.1
55.01846	0.2
55.35004	0.1
58.06608	3.0
59.07368	0.3
60.07873	0.2
60.08166	4.5
68.28057	0.1
70.06595	11.0
70.52670	0.1
90.05164	0.1
96.08072	0.2
114.05535	1.9
114.09145	0.4
124.07618	2.7
125.08450	0.2
126.09138	0.7
142.08636	23.5
170.08151	1.7
205.02669	0.2
229.15468	100.0
246.96468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
51.64178	1.6
55.69244	2.2
57.03451	16.7
59.04984	1.9
67.05512	81.4
71.57063	2.3
71.94346	1.9
81.07053	10.1
81.63760	2.4
83.08624	9.5
91.05495	2.8
93.07057	2.6
95.08588	3.8
109.10166	100.0
115.96450	3.0
119.08593	2.9
132.71620	2.4
133.82050	2.0
146.91837	3.2
155.10695	8.5
162.66597	2.1
163.97775	2.5
173.11705	25.5
184.11191	20.9
187.97699	8.9
198.76225	2.3
205.98758	16.1
229.14282	30.4
229.19269	2.4
244.67802	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	229.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47126	0.2
52.80151	0.1
52.89807	0.1
69.07092	0.2
70.06592	0.3
82.08514	0.2
86.09730	1.1
113.10860	0.1
116.07105	0.3
156.98210	0.1
166.08673	0.2
167.07185	0.2
168.08055	0.2
169.08809	0.2
170.09648	100.0
187.10799	0.2
229.13359	9.3
231.70447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
51.59924	0.3
53.63396	0.3
58.40023	0.3
63.43768	0.4
67.05500	0.6
67.15494	0.4
69.07059	0.4
81.07061	0.8
83.08600	0.4
95.08595	0.8
95.61346	0.4
96.02450	0.4
96.08965	0.4
98.70607	0.4
98.97252	0.4
100.60360	0.4
109.10151	1.6
131.08577	1.6
144.04449	0.7
144.05627	0.5
145.10141	0.8
145.19913	0.4
153.68542	0.5
159.08032	3.8
171.11784	0.5
173.09674	0.5
176.15181	0.6
187.07549	42.1
187.14795	0.5
205.98767	1.9
211.11150	0.4
213.32516	0.4
229.12245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29966	0.5
52.18290	0.6
55.05497	0.8
57.03431	3.1
59.04982	0.8
59.95821	0.6
61.08465	0.6
67.05511	12.2
69.07062	0.6
72.08103	0.7
81.07054	1.5
91.05486	0.9
95.08620	1.0
109.10177	17.3
111.08074	0.7
114.73035	0.7
119.08578	1.3
131.07324	11.6
143.07338	1.0
144.08075	8.0
149.46078	0.7
155.10641	0.9
156.08069	2.9
157.08853	1.2
158.09441	0.7
163.97742	1.4
168.08029	3.3
169.08873	6.7
170.09575	1.6
173.11688	2.6
182.09674	0.9
183.10388	3.2
184.11217	100.0
195.48665	0.7
201.63219	0.7
205.98772	3.7
211.09836	6.2
214.08679	6.0
228.10191	5.6
229.10919	32.8
229.14198	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	229.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80386	0.7
51.51945	0.7
55.34023	0.7
81.07066	1.8
90.19685	0.9
95.08603	4.1
109.10162	2.2
113.05943	0.9
119.18406	0.9
131.07304	12.5
144.08078	5.5
145.96661	1.5
156.08115	2.2
157.08899	1.2
163.97682	1.6
165.07173	1.1
168.08098	1.6
169.08952	6.7
170.09665	3.9
182.09641	1.1
183.10429	2.0
184.11223	100.0
201.09254	1.2
205.98785	5.7
211.10014	5.3
214.08629	6.5
228.10211	5.0
229.08722	2.3
229.10901	28.0
229.19559	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	229.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.1
66.71744	0.1
69.07070	0.1
70.06593	0.3
77.03931	0.2
78.04706	0.7
86.09714	1.5
91.05450	0.2
93.07037	0.9
95.04960	0.3
100.66412	0.1
103.05453	0.3
105.07021	0.3
106.04195	0.3
107.04974	1.2
113.10786	0.1
116.07088	1.0
121.06503	1.3
123.04453	1.6
124.05197	0.7
133.06487	0.9
134.03697	0.2
137.06007	0.2
141.10243	0.2
142.08554	0.2
145.96652	0.3
149.05989	3.5
151.03893	0.3
152.04672	0.4
156.10252	0.2
160.28441	0.1
161.05984	0.6
163.97667	0.2
166.06224	0.3
167.07036	100.0
170.09630	0.3
181.08583	2.2
185.09804	0.6
187.97746	0.2
193.08614	1.8
196.53995	0.2
201.12369	0.2
202.04936	0.2
205.98795	0.7
211.09659	0.4
229.08911	0.2
229.13577	0.4
229.15521	0.3
235.13338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	3.0
58.56141	0.1
59.07383	1.1
60.08175	7.6
68.05014	0.2
70.06599	11.1
72.08175	0.7
82.05286	0.1
84.04509	0.2
84.08137	0.7
91.45475	0.2
99.01441	1.3
114.05524	1.7
114.09173	0.2
124.06780	0.2
124.07613	3.3
125.01711	0.3
126.02489	12.0
126.09158	0.8
127.03258	1.1
128.03436	0.3
142.08646	21.3
151.99344	0.2
152.00407	2.0
157.06685	0.9
169.09653	0.3
170.01437	0.9
170.07552	4.1
183.11357	0.3
185.09825	14.9
187.97707	0.2
205.98796	0.8
212.25743	0.2
229.08870	1.6
229.15477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96584	0.6
58.06610	8.4
59.07399	6.0
60.08173	25.6
68.05053	0.9
70.06599	10.3
70.67421	0.4
72.08156	7.0
73.08482	0.7
73.08966	0.4
73.95517	0.3
82.05356	1.8
84.04514	0.7
84.05665	0.9
84.08153	6.3
85.02946	0.6
86.09731	0.4
87.90728	0.4
88.41368	0.4
98.97602	1.8
99.01437	9.0
100.07615	0.6
101.00856	0.5
101.07925	0.4
111.05629	0.7
112.11270	0.8
114.02505	1.7
114.05507	0.8
116.07149	0.6
119.01958	0.7
124.00937	1.8
124.07624	1.9
125.01708	3.6
126.02490	83.6
126.09158	2.7
127.03260	7.4
127.12310	2.0
142.08649	13.8
143.09045	0.4
145.96672	2.4
150.76089	0.5
152.00404	12.9
155.05157	0.5
157.06697	4.9
158.09247	6.4
163.97729	0.6
165.10190	0.6
168.10175	0.8
170.01479	5.9
170.07448	29.7
170.33461	0.5
175.04509	1.6
183.11267	0.6
184.04599	0.6
185.09831	100.0
186.11305	0.9
187.05951	0.6
187.97679	2.7
188.05907	0.6
193.13353	0.4
199.04443	0.4
205.98770	6.4
206.06932	2.7
211.10878	0.6
211.14377	0.7
224.08015	0.9
229.00403	0.7
229.08875	12.9
229.15396	68.2
229.20279	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	228.2325
Annotation	Halaminol C
Peak:m/z	Relative Intensity
57.07084	3.4
57.38009	0.4
69.07061	1.0
71.08626	1.0
72.04514	0.8
74.06085	1.6
76.85304	0.4
85.10196	0.8
88.07638	8.0
92.18385	0.5
95.08581	0.5
97.10153	0.5
102.09180	6.0
111.57285	0.4
114.22637	0.5
116.10725	2.1
130.12306	0.6
144.13843	0.5
167.17221	0.5
185.10248	1.7
223.13979	0.5
224.02072	0.4
224.82239	0.5
225.11137	0.5
228.10085	0.5
228.23235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2325
Annotation	Halaminol C
Peak:m/z	Relative Intensity
53.15380	1.2
57.07066	8.1
60.04246	1.4
60.04536	23.7
71.08624	3.4
75.64207	1.2
91.18083	1.5
97.52137	1.3
124.91035	1.4
177.17932	1.3
185.10240	7.0
228.23225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	4.1
67.51278	0.9
68.76736	0.7
70.06575	3.2
72.04512	1.0
84.08140	7.4
86.09223	1.6
86.09714	37.6
92.87077	0.8
95.04985	6.1
97.06530	1.3
100.07622	96.3
100.11253	14.9
112.11240	13.4
126.12782	1.6
129.10248	16.0
143.11804	70.7
147.93384	0.8
154.12267	19.2
157.13353	8.9
169.17009	7.4
185.16475	1.4
190.21190	0.8
210.19662	88.9
211.18066	5.5
228.20711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59417	0.8
58.06592	5.0
58.69980	0.7
60.05638	5.5
65.81323	0.7
67.11510	0.9
70.06567	1.6
73.56840	1.0
84.08142	9.0
86.09217	1.4
86.09713	35.1
97.06497	1.8
100.07625	100.0
100.11275	17.8
112.11258	13.4
126.12778	3.0
129.10257	15.6
143.11807	82.1
154.12259	20.0
157.13322	11.2
169.16992	8.3
185.16501	4.4
194.62054	0.9
210.19664	88.3
211.18080	5.3
228.17067	4.3
228.20712	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	4.4
60.05661	1.8
70.06582	3.2
84.08127	7.0
85.92857	1.2
86.09708	32.0
87.95392	1.3
97.06547	1.7
100.07618	100.0
100.11250	16.9
100.45302	1.3
108.43447	1.2
112.11243	14.2
126.12802	1.7
129.10283	12.8
130.99849	1.2
143.10693	3.0
143.11801	72.6
154.12228	18.8
157.13338	8.1
169.16969	8.7
185.16508	1.5
210.19653	82.2
211.18057	2.1
228.20714	81.9
228.22751	2.7
247.90251	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	228.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46394	0.6
53.55886	0.6
55.05505	0.9
57.07084	1.1
60.05661	100.0
63.13380	0.5
65.87995	0.7
67.05515	7.2
69.07062	2.9
72.05638	4.5
73.67985	0.6
79.05476	2.8
80.05006	3.4
81.07062	14.8
83.04964	1.0
83.88318	0.7
84.05635	4.2
85.06556	15.5
91.05496	4.9
93.07050	10.2
94.06592	2.5
95.04961	1.5
95.08617	1.5
99.31268	0.8
105.07040	8.2
107.08601	5.1
109.06501	0.8
109.10172	1.6
121.10134	0.8
123.11715	3.6
125.09497	5.0
126.10286	1.3
133.10175	6.6
133.54453	0.7
150.12785	4.2
156.30132	0.7
167.41429	0.7
187.74594	0.6
191.11618	0.6
192.14952	13.4
195.39301	0.7
203.35205	0.8
210.16031	35.0
210.18019	1.5
216.89093	0.7
228.17084	68.9
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
52.16811	0.8
60.05646	1.2
61.07628	0.8
70.34213	0.8
79.12070	0.8
84.05633	98.3
96.68747	0.8
100.66430	0.7
148.14220	0.9
175.31174	1.0
192.15009	1.1
210.16006	83.3
228.17068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01158	0.4
53.18833	0.4
55.05523	11.8
59.05007	0.9
60.05658	38.8
67.05515	1.2
69.07059	0.8
72.05629	0.8
73.06546	0.9
79.05492	0.7
81.07063	5.1
83.04983	11.2
84.05637	53.1
86.78151	0.5
91.05486	1.7
92.18356	0.6
93.07049	2.9
94.05325	0.7
94.06578	0.6
95.04952	2.3
95.08606	1.1
96.05621	19.9
97.06422	0.8
98.07169	2.5
99.61137	0.6
101.06027	8.4
105.07058	4.2
107.08594	0.9
109.10118	0.7
110.07174	5.8
111.07970	2.7
112.08747	0.9
113.05970	0.6
121.10257	0.5
122.09664	0.6
124.08704	1.1
128.23354	0.5
133.06483	0.8
133.10126	4.0
135.97166	0.5
136.08717	2.6
150.09145	2.6
150.10268	1.0
154.09697	4.5
161.41003	0.5
163.08704	0.9
164.11839	7.5
168.13849	0.5
174.10277	0.7
186.09132	1.1
187.09717	1.0
192.11357	6.6
192.14967	3.0
210.12531	15.1
210.16013	68.2
223.94366	0.6
224.61870	0.5
228.13452	72.0
228.17088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17927	0.8
55.05510	1.4
60.05655	14.8
67.05497	2.1
70.06578	3.8
72.05643	53.1
72.08128	1.1
74.06098	1.5
79.05513	1.4
81.07035	6.9
82.06589	1.1
84.05639	9.7
86.09702	4.8
91.05473	3.7
93.07048	9.8
94.06564	8.7
95.04961	10.3
95.06084	1.0
95.08597	1.5
96.05650	1.1
100.07612	1.6
105.07037	13.1
107.08607	6.5
108.08115	1.1
109.10139	1.5
121.10151	1.5
123.11745	1.1
125.09476	2.2
133.10141	12.2
150.12762	7.4
156.41795	0.9
158.58656	0.8
163.83524	0.9
192.15047	1.7
193.13268	1.4
196.14410	1.4
210.16052	12.8
228.13521	3.2
228.17094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26043	0.2
55.05515	0.4
60.05643	0.6
67.05488	1.1
69.07076	5.2
72.05642	1.1
80.05012	1.2
81.07034	0.6
82.06586	0.4
84.05631	38.9
91.20005	0.3
93.07030	0.3
94.06573	0.5
95.08596	2.9
96.05620	18.5
97.06398	1.4
98.07188	7.7
105.07050	0.3
109.10163	1.5
110.07171	7.5
111.07929	1.5
121.10111	1.6
122.07154	2.6
124.08723	12.0
126.06660	0.7
133.10127	0.5
135.15747	0.3
136.08699	3.5
136.81944	0.3
138.12756	0.7
142.09763	2.3
149.09479	0.7
150.10300	2.5
150.12781	1.3
161.39075	0.3
171.89847	0.3
175.12283	0.6
177.12521	0.4
180.14943	7.6
182.16513	0.5
192.14940	9.2
210.16014	16.0
228.17070	100.0
232.69611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
60.05660	14.9
67.05495	4.4
70.06592	3.4
70.76376	0.6
72.05647	53.7
74.06048	0.8
78.77276	0.8
79.05486	1.4
80.05056	0.9
81.07053	5.6
82.06586	1.1
83.04992	1.1
84.05612	3.2
84.08129	1.1
91.05460	5.8
93.07047	8.5
94.06583	7.1
95.04977	13.5
95.08595	1.0
105.07055	10.8
107.08614	8.3
108.08110	1.6
109.06522	1.2
109.10133	1.9
110.07191	1.0
117.07040	0.7
121.10172	1.1
123.11697	1.5
124.08726	0.9
125.09512	1.0
132.84460	0.9
133.10135	10.9
150.12782	7.7
151.11217	1.0
168.13841	2.0
174.98851	0.9
192.14980	4.3
193.13411	1.0
196.14470	0.9
210.16025	13.9
228.13487	2.9
228.17087	100.0
241.42944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01201	1.1
56.27026	1.3
60.05399	1.3
60.05659	24.3
65.00700	1.2
67.05502	1.6
72.05645	100.0
72.08146	1.3
80.87379	1.1
81.07050	2.2
84.05630	8.8
84.08136	2.1
85.04025	5.1
86.06071	3.1
87.04467	1.6
102.06684	2.6
104.07104	5.6
109.06497	7.8
109.10150	9.3
110.07137	1.7
126.31213	1.2
128.08192	6.4
129.06607	12.6
144.11349	1.6
146.09248	60.4
151.11206	6.1
157.08464	1.2
168.13998	1.6
187.21603	1.5
210.16075	18.4
210.71631	1.4
228.17082	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86304	0.2
55.05515	0.3
60.05639	0.6
66.79916	0.3
66.97204	0.2
67.05495	1.2
67.74717	0.2
69.07065	4.4
72.05630	1.0
80.05006	1.0
80.87077	0.3
82.06566	0.4
84.05634	34.8
93.07053	0.6
94.06560	1.0
95.08602	2.6
96.05618	16.1
97.06413	1.8
98.07176	8.3
105.06986	0.3
107.08573	0.3
109.06377	0.3
109.10133	1.6
109.10778	0.2
109.71139	0.2
110.07163	7.1
111.07947	1.6
121.10126	1.0
122.07150	2.1
123.07892	0.5
124.08717	9.9
125.29900	0.3
126.06619	1.4
133.10091	0.3
136.08716	3.8
137.96519	0.2
138.12793	0.5
142.09737	2.8
146.63170	0.2
148.08719	0.2
149.09467	1.5
150.10246	2.5
150.12752	1.5
152.73114	0.2
154.09737	0.3
158.68521	0.2
180.14954	6.5
182.16528	0.5
192.14957	8.9
210.16011	15.7
228.17070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1598
Annotation	N-Octanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
50.67768	1.0
55.05502	2.1
57.06832	1.6
57.07088	32.2
59.46556	1.0
60.97706	1.0
62.87674	1.0
67.05497	2.2
69.07050	1.5
81.03945	1.1
81.07066	2.1
83.08611	1.9
84.08150	4.6
85.08928	4.9
86.09718	28.7
95.08605	7.6
96.08151	2.4
97.06548	5.0
98.56456	1.2
99.08090	1.7
101.32169	1.2
109.10159	5.5
109.11703	1.3
112.07577	2.4
114.05525	1.3
125.09570	1.2
126.09189	2.3
133.10074	1.1
141.09123	26.4
144.10158	6.5
151.14835	1.4
154.08656	37.7
160.24281	1.3
161.49918	1.1
163.57832	1.1
172.09706	26.8
175.14792	1.3
182.15396	12.7
185.10306	2.9
187.11215	2.2
200.16489	6.8
228.15958	100.0
228.23260	5.4
230.67018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1385
Annotation	lycorenan
Peak:m/z	Relative Intensity
62.45933	0.2
67.05507	0.5
70.06596	0.3
72.08175	0.2
86.09682	0.3
95.04942	1.4
102.16750	0.2
108.05293	0.5
120.39640	0.2
122.06850	0.2
132.75330	0.3
150.06285	0.9
153.09074	0.5
157.08876	42.2
167.07048	4.2
168.07379	18.2
170.09637	4.9
178.05795	0.5
182.15424	0.3
184.11153	0.3
184.13351	0.3
196.11223	0.4
210.08403	0.5
210.12962	0.5
210.14935	1.3
213.11552	2.8
228.13843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31528	1.4
53.03949	1.5
55.01877	2.6
55.05281	1.2
55.05507	13.5
57.03446	1.5
57.34895	1.8
67.05512	23.2
68.05037	12.7
69.03419	10.2
69.07059	9.9
71.04980	2.6
79.05504	20.0
80.05022	95.7
81.03423	83.3
81.07061	30.7
82.06624	1.8
83.04981	25.5
83.08620	37.5
91.05475	24.5
93.07068	14.0
94.06573	3.4
94.98808	1.7
95.04969	26.0
95.08579	11.3
96.04506	7.2
97.02889	1.8
97.06523	10.3
97.10168	17.1
104.47220	1.6
105.07031	19.9
107.04962	4.0
107.08597	14.9
109.06516	8.9
111.08077	15.4
119.08566	16.6
121.10133	10.8
123.08066	24.8
125.09628	2.3
129.06999	10.8
131.08563	14.1
133.06483	3.1
133.10097	13.6
140.82405	1.6
145.10011	1.8
147.08087	2.5
147.11714	31.2
149.09619	8.3
151.07562	7.7
157.10146	23.3
164.14270	2.5
165.12756	9.6
166.04201	2.2
174.12801	23.4
175.11177	32.5
192.13821	67.8
193.12238	87.9
210.14880	100.0
210.16859	3.8
211.13303	79.2
228.15953	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1384
Annotation	3-methyl-N-2-naphthylbutanamide
Peak:m/z	Relative Intensity
55.39460	0.3
67.05508	0.8
68.38599	0.3
70.03052	0.3
77.57700	0.3
84.04955	0.3
85.06473	0.3
91.45570	0.3
108.88435	0.3
114.09170	2.0
117.07021	0.7
130.87361	0.3
144.08092	100.0
168.07312	0.4
228.13852	28.3
228.15894	1.6
228.23204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05301	0.3
55.05518	4.3
56.05054	0.4
59.04976	0.3
60.05659	19.5
67.05501	0.6
71.20337	0.4
73.06572	0.5
78.01109	0.3
79.05505	0.5
81.07057	2.8
83.04996	3.2
84.05634	56.6
85.06426	0.7
87.96515	0.3
91.05484	1.8
91.47148	0.4
93.07047	2.2
94.05317	0.6
94.06573	0.8
95.04971	2.5
95.06046	0.5
95.08624	0.6
96.05618	29.0
97.06388	0.7
98.07165	2.1
101.06030	1.7
105.07041	4.8
107.06085	0.4
107.08642	1.6
109.06486	0.4
110.07168	3.6
111.07951	2.8
112.08716	0.6
113.06004	0.8
120.90160	0.4
122.09672	2.1
124.08713	0.6
129.10289	0.5
133.06512	2.0
133.07936	0.5
133.10156	1.6
135.09161	0.4
136.08687	2.9
147.09227	0.4
150.09140	3.0
154.09718	3.9
162.36345	0.4
163.08682	1.7
164.11838	10.5
182.12939	0.6
186.09081	0.4
192.11305	10.9
192.15001	2.4
210.10876	0.4
210.12495	16.8
210.16011	60.8
228.13467	100.0
228.17024	77.9
230.93581	0.4
237.11232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19460	0.4
60.05648	0.7
60.64307	0.4
62.16928	0.4
68.61934	0.4
84.05637	14.8
85.39075	0.4
95.04964	2.7
96.05618	23.7
97.06377	0.6
102.91936	0.4
105.07013	1.7
110.07155	0.6
111.07918	0.6
112.05058	0.5
122.09679	0.9
132.08041	0.8
133.06476	1.0
136.08714	1.9
150.09148	3.1
154.09753	6.5
163.08650	0.7
164.11794	8.0
167.82761	0.5
174.10318	0.8
182.12917	0.5
192.11311	9.6
194.35966	0.5
204.25159	0.5
206.96675	0.5
210.12373	19.4
228.01630	0.5
228.13434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0657
Annotation	Clausine O
Peak:m/z	Relative Intensity
51.58437	0.8
59.71249	0.8
84.12634	0.9
114.09130	1.1
127.62432	0.9
129.07016	33.0
130.06555	4.4
154.06522	23.5
155.07269	7.5
156.08089	100.0
158.06041	4.3
163.04468	1.0
166.06514	4.7
172.07594	6.7
174.05504	11.1
182.06038	15.1
183.06802	13.5
184.07588	43.7
200.07083	33.7
210.05505	17.2
228.06561	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1345
Annotation	3-acetamino-6-isobutyl-2,5-dioxopiperazine
Peak:m/z	Relative Intensity
50.14550	0.3
60.05646	1.7
65.73921	0.3
67.05485	0.4
83.71146	0.3
84.05634	14.8
93.07034	0.7
94.06560	0.5
95.04956	3.6
96.05623	24.8
97.06417	0.6
105.07027	2.2
107.08588	0.6
110.07155	2.0
111.07970	3.2
113.06013	0.6
114.06657	0.6
120.08119	0.5
122.07224	0.4
122.09647	2.1
123.88943	0.3
132.08066	0.6
133.06476	1.4
135.09253	0.4
136.08681	2.3
138.09114	0.5
147.09085	0.4
150.09151	2.7
154.09750	4.2
163.08598	0.6
164.11830	8.9
168.10252	0.6
174.10306	0.7
182.12915	0.8
188.12079	0.4
192.11311	10.5
210.12383	15.6
210.15875	0.4
228.13443	100.0
248.62192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2007
Annotation	butyl 9-decenoate
Peak:m/z	Relative Intensity
55.05526	39.4
57.07086	49.0
64.38874	2.5
67.05516	27.3
69.03470	2.7
69.07073	100.0
71.05005	4.8
71.08636	27.5
79.05500	16.0
81.07066	39.7
82.15942	2.3
83.04990	6.2
83.08173	4.5
83.08624	66.7
85.06550	6.6
85.10184	15.5
93.07030	30.6
95.08618	52.9
95.45424	2.7
96.41240	3.4
97.06541	26.0
97.07082	2.8
97.10175	45.4
99.08094	4.4
101.06052	3.8
107.08612	33.9
109.10166	35.6
111.08067	13.1
111.11730	17.1
113.96381	3.7
115.07555	5.5
121.10162	35.5
123.11724	5.1
125.09628	14.4
135.11707	43.4
136.46136	2.8
137.13232	2.8
139.11176	16.2
149.13249	13.7
153.12743	10.8
158.04865	2.8
167.07028	4.9
167.17844	4.3
181.02892	5.6
184.09941	73.0
185.10728	3.8
186.18544	12.2
191.17905	39.8
209.18968	31.6
213.05890	14.2
227.07373	3.7
227.15395	4.1
227.17903	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	227.2006
Annotation	butyl 9-decenoate
Peak:m/z	Relative Intensity
55.05528	31.9
57.03424	2.6
57.07087	42.1
60.41837	2.6
67.05521	21.9
69.07073	100.0
70.27500	2.5
71.05026	2.7
71.08638	31.3
76.32491	2.8
79.05502	5.9
81.07063	34.5
83.08628	71.6
85.06544	3.1
85.10162	17.4
92.18275	2.6
93.07057	28.7
95.08608	54.2
97.06535	23.6
97.10183	50.4
99.08134	3.1
107.08594	23.3
109.10163	36.0
111.08083	15.2
111.11716	16.6
112.01785	2.5
115.07542	5.0
118.76807	2.5
121.10154	36.1
123.11739	8.9
125.09614	17.9
127.11161	3.5
135.11684	39.7
139.11218	20.7
149.13252	25.5
153.12720	13.9
164.48894	2.7
167.14319	3.0
184.09969	4.9
189.62689	2.7
191.17929	63.0
209.18933	22.0
220.49196	2.6
222.49777	2.8
239.80815	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	227.1757
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
67.03893	0.3
69.07065	5.2
73.06557	0.3
79.05497	2.8
89.28332	0.2
96.08132	28.7
97.06525	1.5
113.10768	6.0
114.09167	21.2
115.07554	1.4
167.07031	0.3
203.35025	0.2
209.14485	0.6
209.16489	19.0
210.14870	0.4
227.17534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	19.4
69.07070	3.3
71.04993	92.2
79.05481	15.6
81.07064	31.0
93.07039	16.5
95.08605	21.7
97.10154	5.1
107.08600	53.3
113.96436	7.4
117.07025	8.1
124.49464	3.5
135.08064	39.7
135.11703	14.5
138.98935	3.0
139.46475	3.2
140.50809	3.8
149.13252	6.1
157.41919	3.4
159.11665	6.0
163.01846	15.2
163.07561	16.3
167.07034	21.1
167.10669	7.1
172.63258	3.8
177.05490	3.9
181.02852	4.6
184.09969	100.0
211.79866	4.4
222.95526	4.1
227.12639	4.1
227.15271	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	227.1643
Annotation	Methyl dihydrojasmonate
Peak:m/z	Relative Intensity
50.44860	0.9
52.91476	1.0
54.25591	0.9
55.01895	7.9
55.05520	30.0
57.03420	2.2
59.04994	1.8
60.07903	0.9
60.22369	1.0
67.05511	27.1
69.03415	5.2
69.07078	8.0
71.04996	48.2
79.05508	14.7
81.03398	2.0
81.07066	24.6
83.04992	1.2
83.08185	1.5
83.08628	28.3
85.06518	5.5
87.04487	8.0
91.05462	4.6
92.17889	2.2
93.07051	16.0
95.08607	12.0
97.06533	84.8
97.10172	69.1
99.08070	1.3
107.08607	22.1
109.06499	1.6
109.10155	14.9
111.08054	4.9
113.05936	1.3
117.07001	2.6
119.08567	1.4
121.06467	2.3
121.10107	4.4
123.08037	1.2
125.09628	53.5
131.08521	4.5
133.10110	2.6
135.08086	10.1
135.11708	8.8
147.11598	1.5
149.06030	1.5
149.13232	6.3
151.11223	1.5
153.09088	4.7
159.11717	8.2
163.01772	1.6
167.07031	13.1
171.10156	2.4
177.05458	2.2
177.12732	8.9
181.02788	1.4
181.17767	5.1
184.09962	16.8
185.13205	1.2
189.11188	8.4
195.13803	41.1
203.12650	2.8
213.05879	1.4
221.51031	1.1
227.07033	1.5
227.10538	2.5
227.12857	35.0
227.16376	100.0
227.18181	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	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81398	2.5
55.05512	4.4
57.03429	2.8
60.37768	3.1
67.05507	29.4
69.07062	5.3
79.05493	14.9
81.07064	39.3
83.08624	7.7
88.87193	3.0
91.05473	4.4
91.49484	3.0
92.18359	3.4
93.07047	32.6
95.08596	12.7
102.96880	4.0
107.08598	17.7
121.10167	6.3
128.99141	3.5
133.10126	5.5
135.11664	6.3
149.13301	28.5
159.11737	5.3
171.96426	3.7
177.12727	6.6
184.09958	100.0
185.10806	3.7
195.13858	12.5
217.54723	2.8
227.15442	11.7
227.17810	4.9
227.24664	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	227.1644
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01876	1.9
55.05496	9.5
57.03424	6.7
57.07064	4.1
59.04984	8.7
67.05479	10.5
69.03410	6.5
69.07069	14.5
69.07376	1.9
70.93079	1.7
71.04995	25.4
73.06532	2.5
77.19359	1.5
79.05483	11.8
81.07065	25.1
83.04967	3.1
83.08594	10.8
85.06561	17.7
86.09688	4.0
91.05478	12.5
92.05788	4.0
92.17787	2.5
93.07050	30.2
95.04974	100.0
95.08621	26.7
97.05933	2.0
97.06531	43.4
97.10168	14.9
98.80449	1.6
99.04458	17.1
99.08094	48.7
105.07030	22.9
107.08599	41.9
109.05845	2.4
109.06525	54.5
109.10164	24.2
111.08067	18.9
113.05983	1.7
113.09662	2.7
115.07586	13.3
117.07018	2.0
119.08591	19.4
121.06470	3.2
121.10143	62.3
123.08046	10.6
123.11746	12.6
125.09629	33.3
127.07558	27.1
131.08577	22.9
132.08089	1.8
133.10132	95.1
135.08067	16.8
135.11679	14.6
137.09596	11.0
137.13225	1.8
139.11189	20.3
143.10638	10.3
145.10112	13.2
147.11678	37.9
149.09592	8.0
149.13278	17.8
151.11137	8.7
153.09100	49.3
153.42834	1.7
158.10832	2.5
163.01744	6.6
163.14774	7.3
165.12691	3.7
166.06270	1.8
167.07018	22.4
167.14388	1.7
171.10167	28.7
171.11568	3.8
173.13246	42.6
177.05478	7.1
177.08966	1.9
178.09879	3.9
181.05014	2.0
181.08653	19.1
181.12233	2.5
184.09973	18.3
185.13330	1.8
191.14301	32.5
194.09399	3.0
209.11731	16.7
209.15356	33.0
227.06998	1.9
227.10788	2.9
227.13051	15.8
227.16367	96.7
240.93184	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.97509	1.3
55.01875	2.7
55.05515	9.2
57.03456	12.2
57.07099	1.5
57.44481	1.3
61.05764	1.3
61.53190	1.3
67.05186	2.9
67.05520	64.4
69.07079	18.9
71.04987	9.6
79.05503	27.2
81.03403	1.5
81.07072	100.0
83.04989	7.7
83.08641	19.3
85.02917	2.3
85.06550	7.3
91.05487	15.2
93.07057	74.0
93.55689	1.4
95.04980	3.5
95.08605	26.2
97.06535	20.1
99.08075	2.7
105.07074	5.4
107.08604	40.9
109.06541	2.6
109.10174	3.4
111.08102	10.2
117.07007	13.0
121.06500	8.6
121.10162	22.7
123.11777	1.6
125.09659	2.6
131.08588	11.0
131.29347	1.6
133.10147	16.5
135.08043	1.9
135.11703	22.7
148.89040	1.4
149.13272	65.6
159.11710	33.0
169.48988	1.5
177.12747	19.5
184.09959	26.1
185.10632	1.6
195.13791	27.7
204.60487	1.4
213.14880	1.4
227.15451	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	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.04523	0.2
55.05512	1.4
59.04993	0.5
59.78502	0.2
67.05501	1.2
69.03419	1.2
69.07079	2.0
71.04996	2.2
73.38660	0.3
79.05494	1.2
81.07057	3.0
83.04991	0.7
83.08626	1.3
85.06545	1.4
91.05472	1.4
93.07044	4.4
95.04971	10.2
95.08595	2.5
95.46831	0.3
97.06532	3.3
97.10158	0.5
99.04455	3.3
99.08099	3.1
105.07038	4.1
107.08607	5.3
109.06524	6.8
109.10165	3.4
111.08074	1.4
113.09669	0.3
115.07592	1.1
119.08601	2.2
121.06507	0.7
121.10151	10.2
123.08067	1.4
123.11695	1.7
125.09642	2.3
127.07556	2.0
131.04907	0.6
131.08578	2.4
133.10129	9.9
135.08031	2.2
135.11681	1.8
137.09625	2.3
137.49232	0.3
139.11182	1.8
143.10704	0.4
145.10129	1.5
147.11687	3.3
149.09624	100.0
149.13135	2.4
151.11182	1.6
153.09099	4.4
155.07072	0.3
162.45135	0.3
163.01784	0.5
163.14836	1.4
165.12724	0.3
167.07028	4.6
171.10138	1.7
171.11601	0.6
173.13269	4.3
177.05463	1.3
181.02863	0.3
184.09999	2.9
191.14287	4.6
209.15338	4.0
227.10616	1.2
227.14305	0.7
227.16315	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.61518	1.2
55.01883	16.9
55.05519	6.1
59.05029	1.8
67.05511	20.7
69.07063	6.9
70.89140	1.5
71.04974	5.5
75.65608	1.4
79.05502	11.3
81.03440	1.6
81.07067	15.0
83.04980	45.8
83.08627	9.2
84.05625	16.1
84.92292	1.5
85.02892	1.8
85.05959	10.3
85.06438	1.7
85.27177	1.8
86.09715	3.3
91.05473	8.4
93.07042	21.6
95.04961	3.4
95.08607	15.2
97.06527	14.1
99.04453	3.0
99.08120	1.7
102.13230	1.5
105.07061	3.2
107.05010	2.5
107.08608	20.3
108.42239	1.6
109.10139	11.7
111.04447	100.0
111.08095	28.2
119.08588	8.1
121.10140	19.2
125.06014	5.5
131.08571	7.3
133.10103	2.5
135.11705	42.7
143.08560	1.6
145.10123	19.2
147.11636	3.7
149.09599	6.4
153.09189	1.8
153.12747	85.9
155.08501	1.5
163.01762	2.8
163.11180	56.2
167.07039	6.4
171.11549	2.4
173.09615	8.8
175.43129	1.8
176.85143	1.5
181.02840	2.8
181.12239	56.8
184.09987	15.2
191.10684	32.0
199.18089	2.5
209.11731	12.1
227.10693	5.2
227.12802	27.2
227.15868	15.1
227.17859	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	227.1279
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
55.05524	6.3
56.81520	0.6
57.03437	3.5
59.04999	1.6
59.74157	0.7
62.70168	0.7
67.05508	4.1
68.99792	5.3
69.03432	3.2
69.07065	4.3
71.04992	2.0
75.53372	0.8
79.05489	4.3
79.65923	0.7
79.89377	0.6
79.91253	0.9
81.07064	11.0
83.04973	3.3
83.08632	28.3
85.06550	3.8
85.10172	3.7
86.09701	1.6
91.05486	21.2
93.07060	13.8
95.04976	32.9
95.08571	8.3
97.06530	1.6
97.10178	1.8
99.08109	1.6
101.02393	10.9
105.07047	1.4
107.08605	52.1
109.05820	1.6
109.06529	31.0
109.10152	16.4
111.08092	100.0
117.05479	0.9
119.03418	4.8
119.04951	1.2
121.10150	1.9
123.08038	1.1
123.11683	2.0
125.09644	15.5
127.07549	3.8
131.08542	1.5
135.08058	14.7
135.11696	2.0
137.05997	10.7
141.09148	1.2
143.08536	1.2
148.76265	1.0
149.05930	0.8
149.09624	8.0
150.41098	0.8
151.07542	7.9
153.09117	62.9
155.07071	7.9
157.10098	1.1
163.01807	1.7
163.11163	1.3
164.21159	0.8
167.07033	7.0
167.10661	4.2
169.08606	76.1
171.11772	1.1
177.09108	3.0
181.02864	1.0
184.09932	11.7
185.11757	22.4
195.10178	65.9
209.11697	1.2
209.18983	1.9
227.12762	3.0
227.17937	4.4
227.20053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	Stagonolide
Peak:m/z	Relative Intensity
55.01868	3.0
55.05527	8.8
57.03455	0.9
57.07079	0.8
67.05516	10.7
69.07091	6.2
71.04980	3.2
73.02922	1.1
73.83835	0.6
79.05505	17.3
81.03432	1.8
81.07069	16.8
83.04970	3.7
83.08637	10.9
91.05470	5.1
93.07054	28.4
95.04974	7.1
95.08613	41.8
97.02912	5.5
97.06538	3.9
99.04452	5.4
102.96855	0.8
104.64092	0.7
105.07020	4.8
107.04958	9.4
107.08606	30.2
109.06511	1.2
109.10145	3.6
111.04413	2.6
111.08051	1.7
113.06016	1.1
117.07006	6.2
119.08598	9.7
121.06517	6.2
121.10138	14.0
125.05993	4.6
130.07820	0.8
133.10146	3.8
135.08069	3.1
135.11700	72.8
139.07510	3.4
145.10127	39.0
163.11182	92.3
167.06995	1.3
173.09622	1.6
181.12222	16.6
184.10010	7.6
209.11751	4.8
216.75377	0.9
227.12785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	Stagonolide
Peak:m/z	Relative Intensity
55.01881	3.4
55.05524	11.5
57.03442	2.1
57.07070	0.7
66.44826	0.8
67.05508	11.7
68.09573	0.7
69.03426	0.8
69.07064	8.4
71.04993	1.7
73.02903	1.3
78.01479	0.9
79.05502	17.4
79.75423	0.9
81.03422	1.8
81.07069	21.5
82.06582	1.7
83.04988	2.2
83.08620	14.6
86.81492	1.0
91.05475	6.4
93.07047	39.5
95.04976	8.5
95.08611	46.6
95.85195	1.1
97.02880	4.9
97.06506	4.4
97.10162	1.5
99.04447	6.5
105.07030	6.0
107.04976	8.4
107.08604	30.3
109.10150	3.9
111.04454	1.3
111.08089	4.4
117.07026	7.4
119.08585	12.9
121.06506	8.8
121.10165	18.4
125.05991	4.9
125.09611	1.9
129.07001	1.3
131.08525	1.2
133.10133	4.5
135.08017	2.3
135.11696	75.3
139.07535	1.6
143.08585	1.9
145.10132	42.0
149.05966	3.9
149.13283	1.4
157.10069	1.5
158.09607	5.3
163.01816	4.5
163.11182	97.4
167.07028	21.9
171.09196	1.3
171.11670	1.7
172.09943	21.8
173.09671	2.1
177.05487	6.9
181.02905	2.2
181.12228	17.6
184.09918	19.7
184.11273	1.4
185.09619	1.4
185.13217	1.5
209.11635	1.5
213.05946	1.5
222.58386	0.9
227.12769	100.0
227.15312	9.8
227.17854	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	227.0917
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
57.38677	0.1
59.34953	0.1
67.46130	0.1
72.70058	0.1
78.04693	0.1
79.05493	0.6
82.48108	0.1
83.04945	0.1
84.05649	1.7
85.05406	0.1
85.05963	0.8
86.94969	0.1
91.05488	0.3
93.07019	0.2
93.72864	0.1
95.04968	0.3
103.05437	0.2
105.07047	0.2
107.04961	4.1
107.05636	0.2
114.99267	0.1
121.06516	1.8
123.04431	0.8
124.05192	0.5
134.03577	0.2
135.11725	0.1
149.05997	4.9
152.04692	0.3
153.05469	0.2
167.07045	100.0
177.05487	4.8
181.08609	1.5
181.12242	0.2
195.06529	0.6
204.50449	0.1
209.08101	3.5
209.14793	0.2
212.13083	0.3
227.09186	0.2
227.15918	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.11363	0.3
55.01888	4.2
55.17230	0.3
61.98088	0.3
65.03928	1.3
67.05520	0.3
69.03474	0.3
69.07088	0.4
69.50547	0.3
73.02924	33.8
85.02926	0.8
86.09719	0.4
93.03393	0.4
93.07057	0.5
94.48288	0.3
95.04980	3.2
97.06521	0.4
107.04955	0.4
110.03682	0.5
121.10182	0.5
123.04425	8.3
131.84689	0.4
135.08066	0.4
137.05980	0.4
140.04692	41.0
149.05975	0.4
149.09633	0.6
153.05460	2.8
155.07034	52.4
167.07057	2.2
171.06575	2.1
173.08028	0.7
177.05417	0.4
179.07021	3.0
181.04961	100.0
184.09969	1.7
195.08141	0.4
209.06151	0.7
209.08099	17.6
216.42905	0.3
224.71286	0.4
227.09132	17.2
227.18600	0.4
238.40167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55525	0.9
54.91179	0.9
56.05039	4.3
58.06594	1.2
60.54513	0.9
70.06586	10.7
70.21198	0.9
72.08159	100.0
73.50150	1.1
82.53926	1.0
84.05633	1.6
84.08138	2.6
87.04510	1.0
100.07025	1.1
100.07594	7.7
104.47908	1.2
106.76696	1.1
110.06036	12.1
110.09683	52.4
112.07626	5.2
118.62601	1.1
125.07084	1.2
127.12327	18.9
138.09149	97.8
140.10709	54.1
147.63420	1.2
150.71304	1.2
155.11826	13.1
157.13345	22.0
180.66283	1.0
190.47658	1.2
208.18115	1.5
209.13000	1.5
209.16496	28.7
226.11928	1.6
226.15593	2.3
226.19131	78.1
234.14395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42049	0.5
62.31397	0.6
67.05489	0.9
69.07074	2.2
81.03400	0.6
81.07056	0.7
82.03734	0.6
95.08615	1.4
102.96845	1.4
142.17154	0.7
144.08076	4.7
157.08853	2.6
158.09645	4.3
168.08055	3.4
169.08824	2.5
170.09651	19.7
182.09627	10.5
183.10443	57.6
184.09712	1.1
184.11226	22.5
194.12585	1.1
196.11240	8.2
197.11990	5.9
198.12782	0.8
198.86104	0.7
211.13652	5.4
216.42584	0.6
226.15907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31829	0.5
57.04571	0.6
60.05661	0.4
72.71107	0.5
78.25349	0.4
84.05638	100.0
88.32392	0.5
92.18441	0.6
95.03561	0.5
97.20733	0.5
100.05076	0.5
121.10165	0.7
128.45711	0.5
144.63705	0.5
145.32721	0.7
162.18703	0.5
176.11685	0.5
208.14461	10.3
209.12827	1.1
226.15524	60.9
226.55705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04572	0.7
57.69797	0.2
60.05645	0.2
62.68745	0.2
84.05635	100.0
118.03613	0.2
156.11726	0.2
160.00761	0.2
162.92622	0.2
165.41721	0.2
185.25258	0.2
192.33240	0.2
208.14449	3.5
220.40143	0.2
226.15501	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.1
59.14361	0.7
60.05363	1.1
60.05658	30.1
61.45030	0.8
63.43693	0.7
66.38547	0.7
67.05495	1.5
67.16570	0.8
69.07072	9.7
79.05499	3.7
80.56779	0.6
81.07062	8.8
82.02959	1.4
83.08629	6.8
84.04536	1.3
84.05634	59.8
93.07056	6.3
95.04971	1.2
95.08610	1.0
96.04507	14.1
97.06487	1.2
109.06500	1.4
109.10111	1.6
110.06033	1.2
111.04472	5.8
112.08684	0.9
119.47430	0.7
121.10151	12.2
123.08098	0.9
123.11652	1.6
124.04765	0.8
124.07555	1.4
125.05978	5.4
138.12767	1.1
139.07497	0.8
149.09607	9.1
157.08488	0.9
166.12273	19.3
167.10698	9.3
180.14963	4.4
191.11751	0.9
192.55061	0.9
208.14452	22.6
226.15504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36204	0.2
57.04572	0.5
60.05655	0.8
66.99379	0.2
68.05159	0.2
84.05634	100.0
96.34930	0.2
110.19414	0.3
127.13173	0.2
180.14932	0.3
208.14455	4.3
224.30638	0.2
226.15498	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47165	0.2
57.04564	0.5
60.05653	0.4
60.14886	0.2
68.03606	0.2
76.81750	0.2
84.05636	100.0
114.02718	0.2
149.09515	0.2
184.92108	0.2
188.10265	0.2
208.14471	3.3
226.15504	54.1
243.70435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90789	0.1
57.04559	0.8
60.05651	0.4
63.37333	0.1
84.05636	100.0
88.15329	0.1
94.42255	0.1
100.67775	0.2
105.16570	0.2
121.10073	0.2
133.55739	0.2
180.14977	0.3
202.50912	0.2
208.14459	3.6
226.15501	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	226.1187
Annotation	4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol
Peak:m/z	Relative Intensity
51.47751	0.2
54.66903	0.2
55.85176	0.2
57.04560	0.3
57.21865	0.2
59.72962	0.2
60.05648	1.5
69.03427	0.9
72.53974	0.2
84.05633	100.0
85.06419	1.3
85.39959	0.3
93.07049	0.5
96.05620	1.1
98.26814	0.2
110.07121	0.4
119.32462	0.2
120.01974	0.3
120.08118	0.6
121.06505	0.6
122.07155	1.5
123.07986	0.3
125.02351	0.5
125.06055	0.3
125.07078	0.3
126.05521	1.7
138.09160	0.5
140.04535	0.4
140.07103	0.5
143.03661	0.3
149.05988	1.4
162.10246	1.0
164.11873	0.5
166.08675	1.1
166.84546	0.3
167.07057	0.5
168.07668	3.3
180.04131	0.3
180.11357	3.4
181.05017	0.4
182.12961	0.3
185.04733	0.3
208.07506	0.4
208.10825	12.3
209.12798	2.0
226.11870	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12977	0.5
53.25308	0.5
54.74778	0.6
57.18412	0.6
57.39339	0.6
57.50375	0.6
60.95874	0.7
62.41633	0.7
63.22243	0.7
66.55556	0.6
69.11926	0.7
78.72607	0.7
79.05071	0.8
79.05496	12.8
83.33930	0.6
95.04969	2.7
102.96876	14.6
107.04966	46.3
120.05596	52.8
120.97906	8.4
126.48508	0.6
138.98929	3.4
142.24722	0.8
143.99458	1.4
162.00517	2.9
162.04333	1.1
170.09558	0.8
180.08051	0.9
183.06795	6.7
194.40465	0.7
211.12218	1.5
212.05496	1.0
226.09750	100.0
226.21700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1964
Annotation	L-(+)-Anaferine
Peak:m/z	Relative Intensity
51.65936	0.3
52.54609	0.4
52.80282	0.4
55.01875	0.8
69.07068	2.5
70.06600	0.8
72.08187	1.4
84.04513	1.1
84.08140	2.9
90.98974	0.4
92.17779	0.4
95.26373	0.4
97.06525	11.4
98.09695	2.1
101.00890	0.4
112.11253	6.9
114.89805	0.4
119.01898	1.7
122.02736	1.8
123.04412	0.5
123.08694	0.6
123.43787	0.5
124.02301	0.7
126.09156	10.6
126.12799	6.6
127.13174	4.6
140.10658	0.5
142.03555	1.0
154.12270	100.0
160.04546	0.5
161.02908	0.8
168.13907	0.6
179.03900	0.6
183.06476	0.8
184.04523	0.8
204.11874	0.5
225.19614	56.6
225.21367	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	225.185
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
51.63610	2.0
52.25771	2.1
55.05517	47.1
55.09250	2.4
55.34933	2.3
57.03431	2.0
57.07072	11.5
64.05676	2.0
65.03937	13.2
67.05182	3.3
67.05511	67.8
69.07073	58.0
71.05000	20.1
79.05496	18.8
81.06606	3.6
81.07066	90.7
83.04983	5.6
83.08632	55.1
85.06553	19.8
91.05492	26.2
91.84802	2.5
93.03402	10.6
93.07044	32.7
95.04977	9.3
95.08610	100.0
97.06535	29.4
97.10175	51.7
99.08098	9.5
101.95033	74.4
105.07047	21.1
107.08596	43.4
108.05718	3.1
109.06543	16.0
109.10169	68.8
110.03648	16.1
110.61957	2.4
111.04430	12.3
111.08098	22.8
111.11703	13.5
116.98590	2.3
119.08555	36.0
119.96064	26.5
121.06491	4.2
121.10136	29.1
121.75807	2.3
123.08015	9.6
123.11710	32.6
124.05198	10.6
125.05994	17.4
125.09621	12.9
133.10132	60.3
135.11726	8.0
137.09627	15.4
137.97122	13.4
138.06779	33.7
139.03059	4.3
139.07556	16.9
139.11052	2.5
142.97644	8.8
147.11681	30.3
149.13252	3.5
151.07524	13.5
151.11189	10.2
153.05464	58.8
154.06276	4.1
160.98695	23.5
161.13251	12.7
163.14804	9.5
165.12805	2.6
165.16414	20.7
166.06424	5.5
167.07103	11.2
178.99783	2.9
179.07056	2.9
179.17889	3.3
181.04884	11.8
183.09149	10.0
189.16393	86.3
190.30574	2.5
196.07365	16.3
207.17473	43.3
225.07533	9.8
225.13918	15.0
225.18396	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1488
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05519	3.0
57.03457	0.5
57.07087	0.9
60.29865	0.4
67.05514	1.0
69.07077	0.8
71.04998	22.3
79.05499	2.0
81.03436	0.6
81.07062	4.9
83.04988	3.1
83.08630	6.6
85.02926	0.6
85.06557	1.2
91.05475	0.7
93.07063	1.2
95.04980	0.8
95.08616	5.9
97.06525	7.3
99.04461	100.0
99.08104	2.4
105.07052	3.2
105.54857	0.5
107.07879	1.1
107.08604	30.5
109.06528	21.7
109.10173	1.9
111.11713	1.1
113.09654	6.1
119.08592	2.1
121.10151	13.4
123.08077	17.6
123.11709	15.1
125.06023	1.0
125.09640	8.8
127.07518	1.8
131.08551	0.8
135.11732	0.9
137.09653	0.7
137.13293	2.3
139.11250	4.0
141.12753	2.9
147.11707	7.5
149.09625	13.6
151.07527	0.7
161.13306	0.7
165.12758	16.0
167.06850	0.6
167.10666	28.9
179.07155	0.7
179.14313	3.4
183.13805	42.7
189.12790	3.3
207.13763	7.2
225.14857	27.6
225.16887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1488
Annotation	Methyl epijasmonate
Peak:m/z	Relative Intensity
53.03973	1.0
55.01884	3.1
55.05519	15.4
56.96570	1.1
57.03437	3.9
63.32395	0.7
64.55907	0.6
65.03936	0.7
65.10609	0.6
67.05513	14.2
69.03420	4.5
69.07072	6.5
71.04992	1.9
79.05064	1.1
79.05501	18.1
81.03430	100.0
81.07063	19.2
83.04989	23.4
83.08630	36.2
85.02899	1.5
85.06533	3.8
91.05479	19.8
92.17896	1.2
93.07058	12.1
95.04980	35.9
95.08600	6.9
95.40908	0.8
97.02889	1.8
97.06527	4.0
97.10172	7.7
99.08080	1.7
101.95030	5.8
105.07046	16.5
107.04969	5.7
107.08598	7.0
109.06531	6.0
109.10164	1.3
111.04430	3.1
111.08089	12.6
119.08585	18.8
119.96102	1.7
121.06534	2.6
121.10159	9.4
123.08057	1.6
123.11736	1.2
125.09617	1.4
129.07002	10.2
131.08554	12.0
133.06471	3.7
133.10149	9.8
135.52792	0.8
137.09666	3.3
140.63522	0.8
141.23540	0.8
142.07761	1.8
145.10141	0.8
147.08096	4.2
147.11688	14.9
149.09608	7.7
157.10135	16.6
163.11226	1.0
163.58995	0.9
165.12772	4.3
167.06677	0.9
172.59477	1.1
175.11200	16.6
182.05777	1.5
193.12253	62.1
197.08131	4.8
205.86021	0.9
207.13803	1.0
225.07472	1.5
225.14668	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1488
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
57.07077	1.0
57.15905	0.8
67.05499	4.2
69.07071	1.3
79.05499	1.1
80.71564	0.8
81.07071	16.7
84.05633	18.8
85.02914	100.0
85.05338	1.1
85.05962	5.3
87.04463	0.8
91.05460	1.4
93.07040	4.1
95.04995	5.4
95.08620	6.7
97.06557	0.8
99.04455	1.5
105.07023	3.4
107.08578	5.8
109.06544	1.0
109.10165	13.3
112.11535	0.9
119.04987	1.9
119.08579	5.2
121.06511	1.8
121.10149	10.7
123.04451	10.9
123.08086	2.9
123.11710	86.8
125.06001	6.5
131.08566	0.9
133.10110	0.9
135.08051	1.1
136.05200	1.0
137.09627	1.8
139.46594	0.8
140.04733	1.1
147.04369	2.7
147.08057	3.3
147.11685	3.7
149.09618	10.0
151.07593	4.0
155.07050	8.3
161.09680	1.5
161.13164	1.2
164.04605	0.9
165.09093	1.7
165.12712	1.8
167.10616	1.3
171.11710	0.8
175.03903	1.9
179.07072	3.9
179.10812	1.3
183.06570	10.5
189.12775	6.0
207.06561	4.1
207.13811	22.9
225.07278	1.2
225.09125	5.4
225.11063	0.8
225.14275	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	225.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	1.0
57.15905	0.8
67.05499	4.2
69.07071	1.3
79.05499	1.1
80.71564	0.8
81.07071	16.7
84.05633	18.8
85.02914	100.0
85.05338	1.1
85.05962	5.3
87.04463	0.8
91.05460	1.4
93.07040	4.1
95.04995	5.4
95.08620	6.7
97.06557	0.8
99.04455	1.5
105.07023	3.4
107.08578	5.8
109.06544	1.0
109.10165	13.3
112.11535	0.9
119.04987	1.9
119.08579	5.2
121.06511	1.8
121.10149	10.7
123.04451	10.9
123.08086	2.9
123.11710	86.8
125.06001	6.5
131.08566	0.9
133.10110	0.9
135.08051	1.1
136.05200	1.0
137.09627	1.8
139.46594	0.8
140.04733	1.1
147.04369	2.7
147.08057	3.3
147.11685	3.7
149.09618	10.0
151.07593	4.0
155.07050	8.3
161.09680	1.5
161.13164	1.2
164.04605	0.9
165.09093	1.7
165.12712	1.8
167.10616	1.3
171.11710	0.8
175.03903	1.9
179.07072	3.9
179.10812	1.3
183.06570	10.5
189.12775	6.0
207.06561	4.1
207.13811	22.9
225.07278	1.2
225.09125	5.4
225.11063	0.8
225.14275	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
54.76542	0.2
55.01880	0.3
55.05524	1.9
56.00400	0.2
57.03442	0.2
57.07085	3.6
59.05006	1.1
62.85213	0.2
65.03925	0.3
66.23081	0.2
67.05514	12.8
69.03431	1.2
69.07072	2.0
71.04994	1.3
75.14056	0.2
78.94189	0.2
79.05491	1.6
81.07062	4.3
83.04987	1.9
83.08649	0.3
85.02926	5.0
85.06550	9.6
88.67262	0.2
89.19123	0.2
91.05499	2.1
93.07050	5.5
95.04987	3.1
95.08614	100.0
97.02858	0.3
97.06524	2.0
99.04461	2.9
99.91002	0.3
100.50123	0.3
105.07037	4.4
107.04972	0.4
107.08603	9.6
109.06535	3.6
109.10171	3.2
111.04459	0.4
111.08089	1.1
113.02376	0.3
113.06003	6.6
119.04974	0.2
119.08590	14.1
121.06519	1.7
121.10155	7.3
123.08075	33.5
123.11704	8.5
125.05984	0.4
125.09692	0.3
127.07558	0.4
131.08586	1.5
133.06552	0.5
133.10161	1.9
135.08107	1.0
135.11697	11.9
137.06067	0.3
137.09630	2.8
137.13309	0.5
139.07552	1.2
141.09094	1.9
143.08644	0.3
145.10188	0.3
147.04405	0.4
147.08034	1.9
147.11700	5.3
149.09624	18.0
150.20656	0.2
151.07539	1.9
151.11208	0.2
151.14813	2.8
153.09155	0.3
156.09389	0.3
161.09642	1.3
161.13255	8.1
163.11163	2.0
165.05411	0.4
165.09132	1.1
165.12753	5.0
167.10721	0.9
169.08667	0.3
171.11694	1.3
174.10471	1.0
175.03932	0.3
179.07118	0.2
179.14308	1.9
181.11580	0.2
183.13806	0.9
189.12775	5.6
193.04730	0.2
202.05028	0.5
207.06613	0.4
207.13799	7.9
223.02931	0.3
225.14761	1.1
225.16696	0.6
236.24284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.05508	0.5
65.03926	1.1
67.05486	0.8
71.04977	0.6
79.05499	0.7
81.07081	0.9
85.02895	0.7
91.05482	20.2
91.26785	0.5
93.07043	1.0
95.04967	2.8
97.06535	0.9
99.26498	0.6
100.17619	0.6
103.05463	0.9
107.08570	0.8
109.06525	0.7
111.04446	0.8
118.04170	2.9
119.04943	53.2
119.08546	0.8
119.11764	0.6
121.06487	0.9
121.10185	0.5
122.53912	0.6
123.04443	0.7
123.08064	1.1
127.51685	0.6
129.03351	0.8
132.02106	1.1
133.02847	0.7
133.06487	0.5
133.10149	1.1
146.03629	0.8
147.04413	56.7
147.08098	0.8
149.02335	1.1
149.06049	0.7
149.09688	0.7
151.07527	0.8
151.11110	0.7
153.05473	1.3
157.04007	5.7
161.09618	3.1
163.11253	1.2
164.04663	3.0
174.03070	0.8
175.03911	86.5
179.07037	5.9
179.10750	0.9
183.06592	0.7
183.09206	0.7
192.04179	30.1
193.04951	0.8
207.06529	100.0
207.13770	1.1
225.07457	0.9
225.14514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.01871	0.3
55.05515	0.5
61.02632	0.3
65.03955	1.4
69.03429	0.4
69.07059	0.4
69.19169	0.3
79.05542	0.4
81.03402	0.7
81.07067	0.5
84.05634	0.6
85.02903	0.6
91.05484	21.1
91.06057	0.7
93.07017	0.8
95.04975	3.8
95.08631	0.5
99.33183	0.3
103.05497	2.9
105.07046	0.7
107.04945	0.3
107.08601	0.5
109.06551	0.6
118.04147	2.2
119.04942	49.9
119.08564	0.5
121.06461	1.4
121.10129	0.8
123.04431	5.8
123.08087	1.4
129.03389	0.6
131.04929	1.9
132.02060	0.8
133.02808	0.4
135.04474	0.5
135.08083	0.5
137.06004	1.4
140.04634	0.7
145.02888	0.8
147.04410	48.6
149.02362	1.5
149.06000	0.6
149.09644	0.8
151.07536	0.4
153.05360	0.6
155.06996	3.7
157.02826	0.5
157.03964	4.2
161.13232	0.5
163.03854	0.4
163.06538	0.6
163.11151	0.6
164.04671	3.6
165.09137	0.4
174.03104	0.5
175.03903	83.2
177.02028	1.2
179.07062	4.7
181.08588	0.6
183.06540	5.8
189.12794	0.7
192.04175	30.0
193.04948	2.4
207.06526	100.0
225.04034	0.6
225.07567	1.9
225.14291	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	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.01867	0.6
56.56282	0.6
70.07576	0.6
81.07066	1.3
84.05630	5.6
85.02910	6.6
85.05952	1.3
91.05482	19.7
92.22958	0.7
93.07055	0.8
95.04959	4.8
101.00778	0.6
103.05475	2.7
109.10196	0.7
117.03372	0.8
118.04144	0.9
119.04945	52.3
123.04413	9.1
123.11698	8.1
135.04475	0.6
140.04622	1.3
145.02841	1.1
146.03654	0.7
147.04416	55.0
149.02348	1.1
151.07524	0.9
153.05475	0.8
155.07063	6.5
157.04001	5.4
164.04698	3.8
167.07233	0.8
175.03909	90.1
177.01826	0.7
179.07014	6.5
183.06544	10.2
192.04190	32.3
207.06532	100.0
207.13959	1.0
225.07516	2.6
225.14233	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	225.0758
Annotation	Sinapate
Peak:m/z	Relative Intensity
51.54383	0.4
55.01867	2.0
79.05498	1.9
81.07088	0.5
86.93276	0.5
91.05482	8.1
95.04952	2.4
105.03381	0.7
108.05701	0.7
109.06525	3.0
118.04170	0.6
119.04937	8.4
121.06491	0.8
123.04429	4.7
123.08074	0.8
131.04955	0.6
132.02069	2.2
136.05211	7.9
137.05988	25.3
147.04410	10.7
148.05179	0.5
149.06006	1.1
151.07547	23.5
155.06967	2.3
157.48100	0.4
164.04652	2.1
165.05473	12.7
175.03902	5.0
179.07034	100.0
183.06544	3.1
186.95953	0.6
192.04201	0.9
193.04984	1.7
197.08104	6.6
207.06531	4.5
207.08160	2.0
212.63870	0.5
225.07498	22.1
235.50558	0.6
244.04770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	Sinapate
Peak:m/z	Relative Intensity
53.19159	0.4
54.90577	0.5
55.01871	2.5
59.31580	0.4
61.02935	0.5
67.42248	0.5
71.00251	0.5
79.05487	1.0
84.05634	4.4
85.05968	2.3
88.60365	0.5
91.05486	14.4
93.07029	0.6
95.04959	2.6
97.06519	0.9
103.05457	0.7
105.07030	0.7
107.04945	1.0
108.05717	1.0
109.05860	0.7
109.06534	3.3
110.27581	0.6
113.02370	0.7
118.04169	0.7
119.04953	21.7
121.06501	1.9
123.03563	0.7
123.04417	5.6
132.02094	2.0
133.06535	0.6
135.04417	0.7
136.02177	0.6
136.05203	7.8
137.05981	27.6
140.04688	1.3
147.04411	22.1
148.81862	0.5
149.06017	0.9
151.07552	22.0
155.07054	4.3
157.03935	1.0
164.04657	3.0
165.05473	12.4
175.03909	25.3
179.07037	100.0
183.06540	7.0
192.04221	9.4
193.04962	2.0
195.06598	0.6
197.08125	5.4
197.95143	0.6
207.06528	28.7
225.07565	23.7
225.14229	6.7
231.99129	0.6
237.88316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.076
Annotation	Calaminthone
Peak:m/z	Relative Intensity
50.30254	1.0
57.54998	0.9
60.37087	1.0
67.05500	1.5
69.24036	1.0
69.51933	0.9
86.09657	0.9
91.05482	5.5
92.17839	4.2
93.07034	7.1
95.04967	36.5
95.08582	2.2
97.06533	1.3
101.95038	2.3
103.05475	4.7
105.04538	1.9
105.07056	1.6
107.04995	1.0
107.08566	1.1
107.15227	1.1
109.02991	1.0
109.06522	1.6
109.10166	1.5
119.04935	6.1
119.96047	1.1
121.06554	11.6
123.04430	88.4
123.08052	2.7
131.04973	3.8
131.06020	1.3
137.05966	5.1
140.04700	16.2
147.04405	5.7
149.06009	9.2
151.07578	1.9
153.05403	1.1
155.07033	63.6
155.08298	2.5
165.05455	2.0
166.06412	1.9
167.06992	5.8
175.03883	2.3
179.07039	15.7
179.08611	4.6
180.07805	1.7
181.08626	1.8
183.06528	100.0
183.09148	2.5
193.04807	1.2
207.06480	5.1
207.08105	6.2
210.06706	1.6
225.07359	25.3
225.09209	7.1
225.14034	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	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35022	0.1
53.70850	0.1
58.53050	0.2
63.64558	0.1
63.94593	0.1
73.02015	0.2
77.77551	0.2
82.01478	0.2
82.99797	1.2
84.04519	0.2
84.91436	0.2
98.97563	0.2
100.01683	0.2
100.02458	0.2
101.00881	36.1
102.93824	0.2
111.98498	0.2
119.01918	100.0
121.02373	0.2
124.02448	15.0
131.01848	0.2
133.03477	0.3
135.84392	0.2
137.02956	14.8
141.41110	0.2
142.03500	82.3
143.01892	3.1
144.85115	0.2
160.04544	10.9
161.02946	53.9
165.05075	1.3
166.03468	0.3
175.04729	0.2
179.04001	37.9
184.04549	7.0
187.99045	0.2
199.50021	0.6
202.05598	3.0
202.09279	0.2
225.02301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.076
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
58.91804	0.8
59.31602	0.9
91.05479	19.8
93.07022	0.9
95.04956	4.6
103.05463	2.0
117.89037	0.8
118.04215	0.8
119.04942	52.4
121.06494	2.0
123.04465	6.4
129.41205	0.9
140.04759	1.0
147.04419	59.0
149.02362	1.3
149.05959	1.1
152.54333	0.8
155.07008	4.7
157.03976	4.8
164.04694	5.3
164.07053	1.4
173.32961	0.9
175.03899	88.9
177.01689	1.0
179.07024	5.2
183.06541	7.5
184.30077	0.9
192.04187	29.4
192.05841	1.4
193.05020	1.0
207.06517	100.0
225.07535	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	224.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67843	0.2
54.27364	0.2
55.07069	0.2
57.04568	0.4
58.06595	0.4
58.40495	0.2
60.05655	1.3
60.26147	0.2
65.33229	0.2
67.05512	0.3
68.05035	0.3
79.05508	1.6
80.05043	0.4
81.07069	3.6
82.02955	4.2
84.05637	100.0
91.05479	0.5
93.07043	2.4
95.08607	5.6
96.04520	0.3
105.07018	0.3
107.08597	1.3
108.04494	2.5
119.08583	4.6
121.10140	3.7
122.06043	0.5
122.09686	0.3
123.04440	0.5
123.08071	5.4
126.05518	0.4
131.07307	1.9
135.08061	1.3
136.11238	3.2
146.09631	0.5
147.08061	2.7
150.06630	0.6
164.10715	24.4
178.13376	0.4
206.12926	4.2
224.13950	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07838	0.3
56.39309	0.4
57.04543	0.4
67.05526	0.5
79.37351	0.4
84.05637	75.7
85.06412	4.6
93.07038	0.5
95.08602	7.1
96.05605	1.8
102.79194	0.4
109.02915	0.4
110.07175	5.0
116.33452	0.5
122.61913	0.4
135.02675	0.8
143.85295	0.4
171.54285	0.4
178.13405	6.7
180.14886	0.5
206.13063	1.6
224.13947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15305	0.2
55.02097	0.3
60.05653	1.2
65.93398	0.4
76.12693	0.3
79.05500	1.7
80.05030	0.6
81.07068	4.0
82.02963	4.6
84.05636	100.0
91.05456	0.8
93.07034	2.1
95.08610	5.0
107.08594	1.8
108.04501	3.0
117.06679	0.3
118.45396	0.3
119.08590	5.5
121.10149	3.0
121.44827	0.3
123.04450	0.5
123.08045	4.3
131.07323	0.5
135.08000	0.6
136.11224	3.5
146.09622	1.3
147.08064	2.7
150.06683	0.7
164.10713	25.5
178.13364	0.7
206.12889	4.3
224.13945	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19367	0.2
60.05667	0.3
67.05530	0.3
68.92054	0.3
69.07090	1.0
78.82887	0.2
84.05637	74.3
85.06412	5.5
93.07070	0.6
95.08614	6.7
95.76283	0.3
96.05623	1.8
104.37772	0.2
110.07165	5.6
110.07832	0.4
111.51031	0.3
126.05533	0.3
128.43666	0.2
129.94598	0.2
160.48868	0.2
162.80560	0.2
168.07652	0.6
178.13390	7.6
180.14981	1.3
188.11797	0.3
188.63411	0.3
206.12935	1.5
224.13942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60455	0.5
55.13162	0.6
58.06595	3.3
59.07372	2.9
60.05644	4.4
67.05513	0.7
78.40131	0.5
80.05009	0.7
82.06583	1.1
83.07388	2.6
84.05637	40.6
85.06429	1.5
91.05506	2.6
93.07043	3.9
95.08617	5.7
102.05521	1.1
107.08627	1.5
107.66853	0.7
108.08146	0.8
109.10172	1.0
110.07170	13.1
119.06078	0.8
119.08605	6.8
121.10129	0.9
122.07085	1.0
124.08698	0.9
125.09501	11.3
126.12771	5.5
129.07028	0.8
130.06497	0.7
131.07317	22.3
136.11223	3.0
137.09731	0.7
147.08061	15.8
161.10701	1.1
162.11270	0.7
164.10689	6.4
165.06630	0.7
165.09158	1.4
168.07733	1.2
178.13452	5.7
180.14998	0.9
182.11772	10.5
189.10257	1.1
206.12929	13.5
212.10631	0.7
223.04301	1.0
224.13982	100.0
234.13339	1.4
236.15001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16924	0.2
57.04562	0.4
59.46730	0.2
60.05664	0.3
62.55407	0.2
67.05521	0.4
69.07065	0.6
80.85866	0.3
84.05639	84.5
85.06416	7.0
93.07021	0.4
93.49903	0.3
95.08608	7.9
95.09170	0.4
96.04430	0.2
96.05663	1.8
110.07185	5.1
120.88374	0.3
130.91756	0.2
163.18246	0.2
168.07684	0.4
178.13420	7.1
180.14975	0.9
206.12920	1.5
224.13948	100.0
239.84560	0.3
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
57.83844	0.9
58.18950	1.0
67.17895	0.9
69.07079	1.5
72.08160	2.0
81.07065	10.9
84.05637	67.1
84.08182	1.1
85.06444	1.5
85.78522	1.0
87.19643	1.2
95.08610	2.2
96.05618	24.3
97.06406	1.4
98.07186	10.4
109.05836	1.3
109.06523	5.5
110.07168	18.1
112.03960	2.4
112.05128	1.4
114.09176	1.8
115.09476	2.1
122.07133	4.5
124.05046	2.3
125.05864	16.6
126.06633	2.2
128.04575	5.0
136.08720	2.2
138.06670	2.5
139.05008	1.2
146.09627	5.6
148.08743	8.4
149.74979	1.2
162.10318	1.2
167.06960	1.3
176.11761	3.6
178.07365	8.0
178.09801	1.5
178.13425	26.8
180.15054	1.6
188.11845	6.2
194.12932	2.6
194.32314	1.1
206.09406	1.8
206.12885	43.1
206.14697	2.1
224.08047	2.0
224.10640	22.1
224.13979	100.0
224.15872	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	224.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	0.9
69.63323	0.7
72.08128	0.9
79.05487	1.4
79.56068	0.9
81.07076	7.4
83.67089	0.7
84.05635	75.6
85.06409	4.2
88.87675	0.8
95.08608	6.9
96.05618	13.7
97.06397	1.6
97.83060	0.9
98.07158	3.8
103.47444	0.8
105.07012	1.9
109.06532	1.7
110.07148	7.7
112.70037	0.8
119.08519	0.8
124.05067	1.4
125.05874	8.2
125.09454	1.3
128.04529	0.9
128.40044	0.8
138.06601	1.9
138.10271	1.0
140.08189	1.2
146.09648	1.2
147.08015	0.9
164.10655	3.6
176.11864	1.2
178.13393	9.9
181.08829	1.7
182.11832	1.2
188.11836	6.7
196.11220	4.4
206.12886	25.5
224.10843	5.8
224.13947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30687	0.5
51.47398	0.5
51.71293	0.5
51.72552	0.6
54.56609	0.6
57.67170	0.7
59.10678	0.6
60.63448	0.5
64.62160	0.6
84.05639	83.8
85.06400	6.3
94.77534	0.7
95.08607	7.8
96.05613	2.7
110.07206	5.3
119.61089	0.6
139.65244	0.7
177.45256	0.7
178.13443	6.3
180.14975	1.1
186.49927	0.8
224.13950	100.0
241.57126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98618	0.5
60.69420	0.6
67.05514	0.8
69.07085	0.9
84.05639	100.0
85.06407	8.1
91.60035	0.6
95.08617	9.6
96.05627	2.4
110.07178	5.7
139.98146	0.6
168.07637	0.8
178.13399	7.0
180.14925	0.8
195.58224	0.6
206.13058	1.0
224.13948	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10428	0.3
51.99168	0.4
53.21914	0.4
54.59212	0.4
54.71346	0.4
64.28079	0.5
68.05006	0.4
68.70905	0.4
69.07088	0.5
69.61723	0.4
84.05634	87.0
84.08189	0.5
85.06408	3.8
95.08614	4.9
96.05621	0.7
98.07159	0.7
98.58058	0.5
110.07175	4.3
150.71837	0.5
168.07684	1.0
178.13391	6.1
180.15012	1.0
198.07637	0.6
206.13013	1.4
224.13936	100.0
231.03931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
55.11438	0.4
55.43247	0.5
56.28483	0.3
56.43535	0.3
57.04585	0.6
65.45561	0.4
67.05510	0.6
69.07052	0.5
72.08175	1.8
75.73894	0.4
84.05637	87.4
84.08145	1.0
85.02930	0.6
85.06420	6.6
86.09703	0.8
88.11229	0.6
91.05502	0.6
92.17920	0.7
95.08627	6.8
96.05638	1.7
109.59777	0.5
110.07178	5.0
120.08145	0.7
121.06535	0.7
121.08459	0.8
122.07204	0.6
123.04449	0.6
126.05527	0.5
129.10226	0.9
132.08084	2.3
134.52090	0.5
134.86748	0.4
138.82654	0.4
161.95157	0.5
164.03355	0.7
168.07637	1.5
175.03923	1.1
178.08633	2.6
178.13431	6.5
180.15027	0.6
184.00562	0.6
201.00702	0.5
206.04521	1.1
206.13033	1.1
207.06410	0.5
209.03148	0.7
209.63617	0.5
211.35718	0.5
224.05585	3.4
224.09305	3.9
224.13966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74483	0.3
62.00031	0.3
66.71616	0.3
68.84714	0.3
84.05634	74.5
85.06413	5.2
93.07059	0.4
95.08616	7.3
96.05612	0.7
110.07166	5.2
112.62439	0.4
122.07187	0.4
134.32863	0.3
147.04469	0.5
168.07710	1.4
178.13367	6.4
180.15007	1.4
206.12863	0.7
224.13939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97380	0.6
57.57373	0.7
59.63773	0.7
69.07071	1.0
84.05639	89.6
85.06413	7.4
93.08147	0.8
95.08630	8.6
96.05628	1.9
108.65919	0.9
110.07177	5.6
115.33564	0.9
137.52376	0.9
160.11250	3.2
164.95459	0.8
178.13469	5.6
180.14987	1.6
206.12976	1.4
224.13963	100.0
226.35774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01505	0.2
51.74506	0.2
57.04534	0.3
60.05653	0.4
67.05517	0.4
69.07063	0.9
70.06618	0.3
72.52883	0.3
79.05463	0.3
84.05633	88.6
85.06413	5.0
93.07056	0.4
93.91842	0.3
95.08604	7.5
96.05620	2.5
98.07147	0.3
110.03487	0.3
110.07167	6.9
119.08571	1.0
122.07188	1.1
130.16632	0.2
138.12811	0.4
148.08670	0.3
158.51642	0.3
168.07655	1.1
178.11842	0.5
178.13393	10.5
180.14940	2.7
206.12892	3.3
224.13933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47611	0.3
52.66937	0.3
57.04565	0.4
60.05650	1.6
63.34637	0.3
67.05521	0.5
74.93596	0.3
79.05525	0.4
84.05634	100.0
85.06409	3.1
88.87675	0.3
92.78840	0.4
93.07044	0.6
94.15426	0.4
95.08607	5.1
96.05611	1.6
98.07196	1.5
103.83639	0.4
110.07193	3.9
119.08576	0.7
122.07162	0.5
136.08742	0.4
136.11226	0.5
147.08035	0.6
168.07701	1.8
178.13358	4.9
180.14883	0.8
188.11855	0.6
206.12900	3.6
224.13934	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97189	0.4
58.61221	0.4
60.05643	0.4
66.99087	0.4
67.05487	0.4
68.72411	0.4
69.07066	0.4
71.44772	0.4
83.22479	0.4
84.05634	94.3
85.06411	7.3
95.08615	9.0
96.05607	2.4
96.83287	0.5
110.07169	7.3
121.10105	0.4
143.71947	0.4
147.04433	0.7
168.07637	0.8
172.41936	0.4
178.13350	5.6
180.15004	1.9
206.12923	1.9
224.13939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49994	0.2
60.05657	0.3
69.07073	1.3
84.05634	88.9
85.06413	6.4
87.04462	0.3
92.17945	0.4
95.08046	0.6
95.08614	8.6
96.05584	2.5
106.28556	0.3
109.51855	0.3
110.07166	5.9
126.05444	0.4
146.07205	0.4
148.66783	0.3
168.07697	1.5
178.13393	7.3
180.14951	1.9
206.12935	1.7
224.13934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1283
Annotation	Maokonine
Peak:m/z	Relative Intensity
54.88235	0.4
58.06656	2.4
67.93247	0.3
77.34950	0.3
82.01349	0.3
84.05643	4.1
84.36180	0.3
91.05526	2.2
103.05467	5.1
105.07038	15.2
107.04950	2.5
111.22396	0.4
114.97263	0.3
117.07015	0.5
118.06538	6.7
118.07228	0.4
120.08113	16.9
120.08962	0.6
123.84359	0.4
128.06268	1.7
130.06537	0.7
131.04970	3.7
131.07338	0.7
131.08600	0.6
132.08119	0.5
143.08632	2.8
160.11218	100.0
178.12274	82.5
178.13525	0.8
206.11790	11.1
224.12738	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19814	0.4
55.03010	1.2
60.32629	0.4
67.05513	0.6
72.24597	0.6
74.48858	0.5
83.46438	0.4
84.05635	16.0
89.71283	0.5
92.17888	0.7
93.07033	1.9
94.06548	0.7
96.05602	1.1
106.47063	0.4
108.08109	0.5
110.03530	36.0
110.07158	0.8
115.29508	0.5
118.06525	4.1
120.08109	17.3
122.07141	0.6
128.04565	100.0
133.07610	2.8
134.07130	0.6
136.07668	0.9
136.08688	1.1
145.07587	0.7
146.73053	0.6
147.07944	0.5
148.52043	0.5
149.07077	1.0
150.06593	0.5
150.10246	3.8
151.89375	0.5
160.08693	26.0
162.10260	98.2
164.06949	0.6
169.99179	0.5
178.09753	29.2
178.13348	0.5
188.06642	0.5
188.08148	4.4
206.09253	31.7
206.12773	0.8
224.10356	11.2
224.13893	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	223.9724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31093	5.5
57.21061	6.8
73.02924	48.5
79.45735	6.2
85.02921	35.6
94.93021	24.1
97.02881	12.6
102.02438	7.4
118.03781	8.4
123.02943	7.0
131.55765	6.9
132.25476	5.8
143.01920	59.7
144.03381	7.1
151.45657	7.4
155.01898	30.2
157.03453	8.5
161.03052	28.1
173.02869	15.7
183.05052	14.0
184.65431	6.4
185.02963	33.8
192.05553	100.0
201.06139	13.6
203.03976	15.8
204.16438	7.1
205.49252	7.0
205.96184	8.9
223.97206	93.1
223.99120	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	223.1696
Annotation	Kobusone
Peak:m/z	Relative Intensity
56.96568	4.0
57.07072	2.2
60.42899	1.3
81.33421	1.1
81.39385	1.1
84.57330	1.2
95.08619	1.4
98.97589	98.0
99.00050	1.3
99.97929	24.0
116.97814	2.3
116.98622	56.5
117.98956	16.7
121.10178	1.3
125.09566	1.7
134.99673	25.1
136.00003	7.0
140.00192	11.7
141.00539	5.2
149.02283	1.3
149.09679	1.7
153.00685	1.2
158.01268	13.1
159.01643	11.6
167.10710	1.4
193.81206	1.5
205.12256	1.3
208.14613	1.7
223.16931	100.0
225.47478	1.3
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
51.17966	1.2
51.81227	1.3
55.01873	1.4
55.05505	2.4
56.96574	5.5
57.07095	1.9
57.07648	1.2
59.96386	1.2
67.05518	20.2
69.07078	2.8
69.71703	1.2
71.04975	2.7
72.83054	1.5
79.05499	9.8
81.07066	32.3
83.04980	2.9
83.08615	2.6
91.05476	3.4
93.07059	17.7
95.08059	2.0
95.08620	47.6
97.06538	7.8
98.97591	100.0
99.97931	28.2
107.08627	12.5
109.06523	1.8
109.10190	11.7
111.08093	2.1
116.98624	70.8
117.07017	1.8
117.98962	21.5
119.08588	1.8
121.10170	13.2
123.08068	2.2
131.08591	2.5
134.99673	30.8
135.08035	2.1
135.11710	3.0
135.99965	8.9
140.00191	12.6
141.00520	5.8
145.10115	2.0
147.11749	1.6
149.02347	1.8
149.13237	2.3
158.01311	13.3
159.01622	12.9
163.14836	1.7
182.03030	1.7
187.14828	3.4
205.15924	2.5
223.13220	2.8
223.16922	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41296	0.3
58.06594	1.8
60.50134	0.3
61.43962	0.4
65.38088	0.4
66.92889	0.4
67.05517	0.4
69.03413	0.5
76.62054	0.3
83.04982	0.6
86.28109	0.4
91.05487	0.4
93.07022	0.9
93.95185	0.4
94.06564	0.6
95.04957	0.4
97.02882	0.8
98.97581	2.2
105.07001	0.5
106.06554	1.7
107.07330	1.7
107.08604	0.6
108.08126	2.4
116.98671	0.6
120.08113	3.4
121.06493	0.7
121.10123	0.5
122.09694	0.6
125.09569	0.4
132.08083	2.5
133.06535	0.9
134.09662	25.0
134.10683	0.9
135.11691	0.5
144.08055	0.8
146.09644	4.8
149.02371	0.8
149.09514	0.5
150.09151	45.4
158.57390	0.4
160.11192	3.0
161.05994	0.8
162.09143	10.9
163.07526	0.5
163.11185	0.5
163.52475	0.4
168.10210	2.2
180.10197	100.0
188.10704	8.8
205.12210	0.7
206.11772	52.5
221.61571	0.4
223.04092	0.5
223.05966	1.4
223.14662	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	223.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.2
56.96572	0.6
61.32084	0.6
67.05502	3.8
68.66356	0.7
69.03420	1.1
69.07084	1.5
71.05000	1.3
79.05480	2.8
81.03423	1.0
81.07056	8.7
83.04958	1.1
83.08600	1.1
83.51868	0.7
85.02909	3.3
91.05481	1.8
93.07027	2.9
95.04971	100.0
95.08595	6.6
97.06546	0.9
98.97588	27.3
99.97893	7.3
101.81279	0.7
105.07037	1.5
107.08592	2.9
109.06529	3.1
116.98633	11.4
117.07050	1.6
117.98959	1.9
119.08601	4.1
121.06502	3.7
121.10126	1.6
123.08091	3.7
131.07408	0.7
131.08551	1.0
134.99661	3.2
135.11688	4.5
140.00195	3.5
141.00533	2.9
141.09177	0.8
145.10103	7.3
147.08025	1.8
158.01254	3.3
159.01543	1.8
159.11732	1.8
161.09631	1.0
163.11194	16.9
169.10193	0.9
177.12770	0.9
187.11191	0.9
205.12346	1.2
223.13353	6.5
223.16957	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	223.0966
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
50.63686	0.1
52.58536	0.1
54.23466	0.1
57.07086	6.6
65.03937	0.8
75.94743	0.1
82.34473	0.1
98.97589	3.5
99.97945	1.2
104.02953	0.1
116.98628	1.5
117.98964	0.8
121.02867	1.6
121.03697	0.2
134.99673	0.3
140.00177	0.3
141.00555	0.2
149.02351	100.0
158.01250	0.7
159.01587	0.2
167.03389	1.5
182.21129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0603
Annotation	2-Hydroxy-4-hydroxymethylbenzalpyruvate
Peak:m/z	Relative Intensity
55.01879	0.4
63.72412	0.3
69.07098	0.4
72.08147	0.4
77.94076	0.4
79.05527	0.8
79.44046	0.3
83.04034	0.3
83.05022	0.3
84.08163	0.4
85.02903	0.5
86.09709	0.5
87.50124	0.4
91.05484	1.5
92.17882	0.5
93.07066	0.5
95.04971	0.7
100.07653	0.8
103.05528	1.1
105.07041	13.4
107.04971	2.5
107.08591	0.6
109.06516	0.7
111.04468	0.5
115.05459	2.5
117.07043	0.6
121.06540	2.1
123.04404	0.4
128.52220	0.5
131.04929	5.4
131.08609	0.6
133.06497	80.8
135.04430	0.6
135.08109	0.5
135.11743	0.3
143.04907	0.8
143.06024	0.6
145.06499	1.4
149.02353	0.5
149.05994	3.9
149.09669	0.6
151.07542	0.5
153.05528	0.5
159.04411	6.8
159.08069	1.7
159.11714	0.4
160.05264	0.6
161.05975	100.0
163.07559	2.2
171.05522	9.4
177.00014	1.4
177.05467	15.5
177.09065	2.1
178.02654	0.6
186.36562	0.4
187.03900	13.5
205.04971	22.5
205.08626	1.7
205.13454	0.7
223.00533	5.3
223.04108	0.4
223.06003	0.4
223.09615	2.0
223.12981	0.5
223.14656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	K 251-1
Peak:m/z	Relative Intensity
55.01865	2.6
60.75283	1.0
61.26392	1.0
63.80761	1.0
65.03931	5.7
65.58221	1.1
67.05508	2.7
68.99419	1.6
68.99797	34.9
76.36158	1.1
77.03921	4.1
79.05073	1.4
79.05502	28.0
81.07046	1.5
89.03906	6.3
89.36909	1.0
91.04936	2.4
91.05486	56.9
92.02663	1.0
93.03410	5.7
93.07046	1.5
95.04967	14.5
98.97584	5.8
103.05437	2.5
105.03379	2.0
105.07053	1.9
106.04156	5.5
107.04971	24.1
108.05764	1.3
109.06519	4.4
110.03629	2.2
111.04425	7.4
111.08091	1.8
112.05354	1.3
117.03391	22.3
119.04948	19.1
120.02074	1.7
121.02875	16.1
121.06504	14.7
123.04420	4.8
124.05213	2.1
125.05994	12.2
133.02811	1.9
133.06523	4.7
134.03651	12.6
135.04424	64.6
136.05240	1.5
139.07553	29.1
145.02844	5.5
146.03625	1.4
147.04401	7.8
149.06018	10.7
152.04678	5.1
153.05518	10.2
161.05943	2.2
162.03146	6.3
163.03900	100.0
164.04689	2.5
165.01888	1.6
167.07021	24.1
177.05464	9.0
178.02654	9.9
179.03398	1.7
180.04164	37.2
181.04938	4.9
181.08556	3.8
190.02629	4.6
193.04982	1.7
195.06526	45.6
205.04959	1.5
208.01892	1.9
208.03688	21.0
216.12021	1.1
223.04262	4.2
223.06030	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0603
Annotation	K 251-1
Peak:m/z	Relative Intensity
58.41555	1.2
62.00677	1.3
62.55453	1.1
62.66217	1.1
65.03940	2.5
67.05511	2.2
68.99801	33.0
77.03942	1.3
79.05135	1.5
79.05511	25.0
79.12399	1.5
81.07055	2.1
89.03931	3.2
91.05488	49.2
93.03416	5.4
95.01353	1.5
95.04962	16.9
98.97588	5.9
103.05471	2.6
105.04531	1.4
106.04179	2.0
107.04966	25.3
108.05738	1.7
109.06516	1.7
110.03703	1.9
111.04457	3.3
115.76488	1.2
116.98532	1.6
117.03391	21.5
119.04955	16.6
120.02078	3.2
121.02858	15.9
121.06512	15.4
124.05169	2.7
125.06033	11.2
133.06552	1.9
134.03627	14.6
135.04417	59.1
137.22087	1.2
139.07567	25.9
145.02867	7.9
146.17996	1.4
147.04480	9.3
149.02248	1.6
149.05995	9.1
152.04692	3.1
153.05472	8.7
161.02010	1.5
161.05980	2.5
162.01373	9.6
162.03149	6.7
163.03908	100.0
165.01955	1.9
167.07060	21.1
177.05489	8.9
178.02654	2.7
179.03227	1.3
180.04163	34.1
181.04918	2.7
190.00882	9.0
191.03427	1.9
193.01364	7.2
195.06540	39.1
205.04854	1.5
208.01901	6.3
208.03670	38.6
223.04172	24.3
223.06053	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03435	1.9
55.01885	2.7
60.84714	1.9
65.03930	2.8
65.72416	1.9
67.05501	2.2
68.99801	34.0
71.16084	2.3
79.05513	27.5
89.03931	3.6
91.05487	51.5
93.03411	3.5
93.07094	2.8
95.04984	15.4
98.97569	10.8
99.64987	2.3
103.05464	3.5
106.04204	2.7
107.04955	28.2
109.02898	2.7
109.06568	2.7
111.04461	5.3
111.08081	2.4
113.25266	2.0
113.98872	2.0
114.36378	2.0
116.98638	3.7
117.03391	24.1
119.04964	15.0
121.02904	15.2
121.06502	15.2
124.05238	9.9
125.05985	11.8
133.02873	3.8
134.03662	12.6
135.04427	53.3
136.05209	3.0
137.05942	2.6
139.07556	29.0
145.02899	4.2
147.04408	9.5
149.05988	11.8
151.07483	3.2
153.05473	3.7
162.03134	4.6
163.02527	3.1
163.03911	97.6
164.04811	2.8
165.09065	2.1
167.07048	22.4
177.05434	13.4
178.02605	4.7
179.03386	3.6
180.04182	40.2
181.08633	9.0
193.01346	4.4
195.06546	39.4
208.01892	3.3
208.03682	45.9
218.10239	2.4
223.03940	5.2
223.06023	100.0
223.13318	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	222.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40250	4.8
56.45662	4.5
60.80103	4.7
65.04097	5.2
75.48936	5.6
83.43101	5.5
85.21075	5.3
90.30334	5.6
93.53631	5.8
104.10732	6.8
122.01708	6.0
153.10040	5.8
188.68375	6.0
222.98840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69992	0.2
56.96572	2.8
57.24166	0.1
58.06613	0.2
58.11811	0.2
64.63141	0.1
66.54790	0.2
70.24787	0.2
76.12376	0.2
84.08136	0.9
91.05477	0.2
98.97588	100.0
102.05537	0.4
105.07048	0.3
116.98621	63.4
119.08583	1.8
130.08629	1.1
131.00157	0.2
133.10158	0.3
134.99660	26.5
135.08002	1.2
137.09621	2.6
140.00192	15.0
147.09241	0.2
149.01196	0.2
149.09601	0.3
149.13248	1.2
153.00719	2.2
158.01253	22.7
159.11618	0.2
161.09608	0.7
176.02310	2.2
176.12868	0.7
177.12743	54.2
181.02803	1.6
213.86050	0.2
221.14539	0.2
222.13341	1.0
222.18526	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	222.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81052	0.2
56.96579	2.9
57.37108	0.2
59.38395	0.2
65.07964	0.3
77.59323	0.3
84.08121	0.4
86.59248	0.3
91.05491	0.3
98.97590	100.0
116.98624	60.7
119.08577	2.0
130.08650	0.3
134.99667	24.5
135.08041	2.1
137.09627	2.9
140.00197	13.4
149.09627	0.4
149.13287	1.1
153.00717	2.0
158.01259	18.9
161.09572	0.5
174.66995	0.3
176.02301	2.1
176.12906	0.4
177.12746	71.4
181.02950	1.0
222.13387	0.6
222.18533	13.9
236.28418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20988	0.2
56.96571	2.0
66.29475	0.3
68.35662	0.2
76.71079	0.3
84.08144	0.5
91.05498	0.3
96.60631	0.3
98.97585	92.7
105.07062	0.3
116.98621	43.8
119.08586	2.6
130.08662	0.4
133.10097	0.3
134.53113	0.3
134.99661	12.6
135.08041	1.7
137.09650	3.5
140.00194	12.9
149.09610	0.6
149.13231	1.4
153.00685	0.4
154.95296	0.3
158.01254	14.8
159.11595	0.3
161.09602	1.2
176.02299	0.5
176.12819	0.7
177.12740	100.0
179.23575	0.3
181.02834	0.7
222.13333	0.5
222.18536	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	222.1127
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
55.45828	0.3
56.95021	0.2
56.96571	2.8
60.04528	1.5
69.32990	0.3
75.23142	0.3
81.07081	0.3
84.08154	1.7
93.48892	0.3
98.97590	100.0
102.05544	1.3
103.05482	7.2
116.98625	60.3
123.35255	0.3
127.16878	0.3
130.08691	1.5
131.04933	44.5
134.99667	24.4
137.05975	3.0
140.00203	13.8
148.07594	0.4
153.00726	1.6
154.73177	0.3
158.01262	18.6
163.07536	27.3
176.02313	2.0
176.06993	0.5
176.12831	1.9
177.09055	0.6
178.09531	2.2
180.10213	3.6
181.02847	0.8
189.07854	0.6
190.08673	0.8
201.70006	0.4
204.10162	0.8
207.08911	2.8
215.72014	0.3
222.11261	53.0
222.13203	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	222.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15354	0.2
53.86999	0.2
56.05033	0.3
57.85484	0.2
58.06589	0.2
63.14622	0.2
72.10906	0.2
73.05299	0.4
74.06075	0.5
79.05463	0.2
86.06084	0.2
91.05496	1.6
98.97583	5.9
102.05571	0.2
103.05484	1.7
105.07040	0.4
107.04959	0.5
110.48900	0.2
110.68733	0.2
115.05402	0.4
116.98616	2.7
117.05760	0.5
117.07028	1.6
118.06539	1.0
119.07322	9.9
126.97042	0.2
129.07018	1.0
130.06520	2.1
130.12279	3.3
131.04913	1.0
131.08549	1.0
132.08086	1.5
134.09657	0.4
134.99689	0.3
137.00885	0.4
138.24063	0.2
140.00183	0.5
143.07303	2.0
148.11240	0.5
158.01199	0.8
158.09651	27.9
159.25592	0.2
174.14853	1.0
175.11835	0.3
176.10706	100.0
184.04388	0.2
194.04533	1.2
204.14949	0.2
222.04062	1.4
222.09389	0.4
222.11273	7.0
222.13406	0.4
222.16988	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	222.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53159	0.2
73.05290	0.4
74.06076	0.9
78.95179	0.2
84.08132	0.2
91.05489	1.9
94.56097	0.2
94.65893	0.2
98.97593	2.9
103.05468	1.1
103.15377	0.2
105.07038	1.0
107.04951	1.3
115.05507	0.3
116.98627	0.9
117.05754	0.9
117.07008	1.7
118.06552	1.3
119.07325	10.3
120.08084	0.2
126.24758	0.2
128.40642	0.2
129.07001	0.8
130.06551	1.6
131.04932	1.4
131.08549	0.8
132.08070	2.2
134.09648	0.3
140.00214	0.8
143.07323	2.0
148.11195	0.5
152.55176	0.2
158.01254	0.4
158.08322	0.5
158.09660	26.5
176.10713	100.0
222.07820	0.2
222.11281	6.4
222.13303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1124
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
56.96537	1.5
58.06599	2.6
70.06586	2.2
84.06864	1.2
84.08162	1.6
85.59464	1.2
87.07947	5.2
89.27070	1.2
98.97585	93.5
100.07587	7.3
115.08694	1.8
116.98621	36.6
123.04427	64.6
128.07510	1.2
130.06522	1.2
130.08629	2.9
131.07323	30.3
134.99620	9.7
136.07510	1.7
137.05978	1.4
140.00197	9.8
158.01282	12.4
164.07011	1.3
165.05466	29.9
176.02269	1.3
176.11798	6.0
193.61340	12.4
206.61984	1.4
212.16252	1.4
222.11234	100.0
237.55251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70377	0.8
50.92461	0.8
54.30476	0.8
58.06588	2.3
68.27715	1.0
80.62333	0.9
84.08156	12.6
86.09713	19.3
98.97594	3.9
101.91207	1.0
102.05537	7.4
104.10730	6.5
105.11049	4.9
120.62106	1.1
130.08632	13.6
159.85793	1.0
162.94524	11.5
175.75270	1.0
176.12834	13.1
180.64551	1.0
222.01949	100.0
222.11281	2.0
222.13344	22.3
222.16725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27082	2.3
65.14036	2.5
82.38460	2.5
84.64546	2.4
86.09724	41.6
98.97582	18.6
116.98627	10.9
127.50399	2.5
138.96429	5.6
140.00204	5.1
156.97484	100.0
158.01309	3.6
162.95578	35.4
174.98524	59.9
180.99149	5.5
198.98518	48.9
199.00168	5.1
204.01720	2.8
216.99574	44.3
222.02960	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05523	3.2
57.25798	2.1
65.54017	2.6
68.39417	2.1
69.07058	13.7
71.04992	28.7
73.72184	2.4
75.02647	2.3
75.71212	2.7
79.05483	10.3
81.07067	100.0
91.05441	3.5
91.99516	2.7
93.07051	37.8
95.08618	39.2
97.06531	4.0
99.08097	3.5
105.07037	46.6
107.08591	47.4
109.06550	3.2
109.10159	40.3
111.08033	3.0
113.09632	3.2
119.07809	4.7
119.08585	81.2
121.10127	16.4
123.11745	19.0
123.33767	2.8
127.11182	16.3
133.10121	26.6
135.11693	90.7
147.11684	39.5
149.13249	12.9
151.11235	4.1
157.01721	2.9
160.43643	2.3
161.13245	21.6
163.14825	6.5
175.14865	5.3
177.16457	3.8
180.12602	2.9
184.54126	3.3
195.99040	2.5
203.17957	57.9
209.53011	2.7
221.07961	3.2
221.13187	3.5
221.15408	8.7
221.19019	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.90323	0.8
55.05526	1.8
59.73436	0.8
59.73739	0.8
67.05516	3.8
69.07089	4.7
70.08604	0.8
71.04998	13.1
72.38850	1.0
73.06586	1.1
75.62303	1.0
79.05505	5.9
81.07061	58.7
83.05011	1.1
83.08633	3.7
91.05495	5.0
93.07050	20.1
95.04941	1.2
95.08600	20.4
97.10216	1.2
99.08118	2.2
105.07035	19.9
107.08601	39.7
109.06495	1.6
109.10164	20.3
110.66451	0.9
111.08082	1.0
111.11691	1.3
113.09689	1.4
119.08586	39.8
121.10138	7.3
123.11693	13.7
127.11233	5.9
133.10143	23.3
133.11104	1.3
135.11694	100.0
137.09634	1.9
137.13347	1.1
147.11711	22.9
149.13309	6.3
151.11211	1.9
161.13261	11.8
163.14903	4.2
175.11241	1.3
175.14874	5.3
177.16437	2.4
203.17957	34.7
203.19769	1.3
221.15416	4.4
221.19011	38.8
243.77168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05529	5.3
57.07083	1.7
59.14932	0.6
59.78152	0.6
60.34013	0.6
62.56737	0.6
64.30640	0.6
67.05511	7.4
69.07074	10.4
71.04984	3.0
73.06554	3.1
79.05505	5.1
81.06605	1.1
81.07065	26.8
83.04984	3.2
83.08632	3.3
85.06544	2.6
86.09879	0.7
91.05499	6.6
92.18414	1.0
93.07050	22.3
95.04967	0.7
95.08616	25.1
97.06555	4.8
97.10155	1.6
105.07042	26.0
107.08605	25.6
109.06491	1.5
109.10165	26.9
111.08085	3.7
111.10862	0.7
111.11722	2.8
119.08590	21.0
121.10153	17.1
123.11720	7.1
125.09650	3.0
130.98981	0.8
133.06471	0.7
133.10136	17.0
135.11703	13.3
137.09625	1.5
137.13235	1.2
145.10139	1.4
147.08063	3.1
147.11697	100.0
149.13261	22.5
151.11172	1.6
159.11662	1.0
161.13292	13.0
163.14825	5.4
163.88911	0.8
165.09171	1.0
165.12694	3.0
173.57596	0.7
175.14830	6.8
177.09045	1.2
177.16380	3.8
177.98309	0.7
203.14192	0.9
203.17958	36.3
221.09634	1.4
221.13264	1.2
221.15547	7.0
221.19000	27.7
238.57597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.98671	0.9
55.05523	11.4
56.47746	1.1
57.07071	4.4
59.04998	2.0
67.05515	29.2
69.07072	23.9
70.93967	1.0
71.04990	2.6
71.08659	1.1
75.51301	1.1
79.05495	12.0
81.07067	62.4
83.05014	8.2
83.08627	8.5
85.06531	2.0
91.05482	13.5
93.07049	100.0
95.04968	1.3
95.08613	49.2
96.95448	1.2
97.06525	2.5
97.10175	6.4
99.08108	1.9
105.07043	40.9
106.07377	1.2
106.33021	1.0
107.08600	81.6
109.06487	1.7
109.10162	78.9
111.08089	2.7
111.11760	2.0
117.07007	1.6
119.08573	30.1
119.09377	1.7
121.10146	23.6
123.08028	1.3
123.11707	11.1
124.76894	1.1
125.09660	8.2
128.18398	1.1
133.10141	21.3
135.11699	58.2
137.09589	4.7
145.10027	1.3
147.11697	46.3
149.13290	2.4
151.11186	4.9
152.98578	1.2
158.15703	1.2
161.13274	17.7
163.14786	11.3
165.12804	6.4
175.14841	11.1
177.09053	1.2
177.16359	2.5
203.17955	64.2
217.41672	1.1
221.13422	1.7
221.15411	5.2
221.19020	39.8
235.29825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1539
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.05502	8.8
57.03441	1.5
57.07068	1.9
67.05523	10.4
69.03423	8.3
69.07078	15.4
70.06573	1.3
76.58820	1.4
79.05483	6.3
81.07065	18.2
83.04538	1.4
83.04987	28.4
85.02876	2.4
85.06525	2.5
87.04440	1.4
91.05457	5.9
93.07039	13.1
94.06542	1.8
95.04996	9.5
95.08609	18.0
96.08124	23.5
97.06527	6.5
97.08427	1.4
99.04448	2.3
99.08121	2.2
105.03405	2.5
105.07037	23.5
106.03715	8.2
107.04924	1.6
107.08606	19.4
109.06517	12.8
109.10161	18.9
111.08085	6.7
117.06994	6.1
119.08585	55.4
121.06483	2.0
121.10142	22.7
123.08049	8.6
123.11681	3.1
125.05972	1.6
127.07538	10.3
129.06944	1.5
130.06540	4.9
131.08513	12.0
132.04449	2.3
133.06493	1.7
133.10135	100.0
135.08040	5.1
135.11697	11.7
137.09612	17.4
137.75185	1.5
143.08566	3.2
143.10164	8.7
144.09325	1.7
145.10100	15.9
147.08060	26.4
147.11691	9.4
149.09595	6.4
149.13258	2.6
151.11195	11.1
153.09074	2.5
157.07671	2.6
157.10085	8.4
158.06024	12.7
159.11679	15.0
161.05965	3.1
161.09598	15.0
161.13257	32.7
163.11171	10.6
165.09096	19.1
170.10896	7.2
173.13261	12.8
175.07401	1.6
175.08728	17.7
175.11209	5.9
175.14813	30.8
177.09134	5.8
179.14299	1.9
185.13271	11.9
188.11934	5.1
190.12271	6.0
191.14276	8.3
193.15883	2.2
203.14293	36.6
221.09200	7.2
221.15353	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	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.05503	12.1
57.03432	1.8
57.07066	3.1
59.05022	1.7
65.03941	2.2
66.92970	2.0
67.05524	19.7
69.03423	13.8
69.07080	17.8
70.06600	3.0
76.71274	2.2
79.05492	4.3
81.07060	25.0
83.04985	34.2
83.08630	8.4
84.08138	2.7
85.02917	3.5
85.06551	2.2
91.05476	11.8
92.05922	2.3
93.07055	30.1
95.04964	23.8
95.08605	30.8
96.08128	4.2
97.02889	2.3
97.06520	8.7
99.04458	8.7
105.07035	31.7
107.08582	29.3
109.06535	26.3
109.10167	31.8
111.08068	11.8
112.14998	2.3
114.10281	2.5
115.05432	2.1
117.07017	3.8
119.08576	67.4
119.52687	2.1
120.08105	20.7
121.06506	4.1
121.10137	37.9
123.08022	15.3
125.05970	3.6
125.09607	2.0
127.07549	8.7
129.10292	2.4
130.06523	9.8
130.08681	4.1
131.08565	13.7
132.04408	2.8
133.06514	8.4
133.09126	3.7
133.10132	98.2
135.08037	5.1
135.11693	12.9
137.09619	18.1
143.04878	4.1
143.08540	4.1
145.10126	14.9
147.08041	38.6
147.11652	12.1
149.09596	5.0
149.13255	2.8
151.07637	2.6
151.11168	12.7
153.09096	4.4
157.07631	3.7
157.10091	9.0
158.06062	18.7
158.52426	2.1
159.11682	14.3
161.05960	20.9
161.09616	21.5
161.13255	46.3
163.11186	14.3
165.09114	36.4
170.10870	9.0
173.13281	17.4
173.14568	2.2
175.07539	4.9
175.08746	38.3
175.11172	10.1
175.14812	36.9
177.09109	50.3
177.12694	3.1
179.07031	17.2
179.10674	2.5
179.14293	9.2
185.13261	17.1
191.14294	16.0
193.15860	2.6
203.07033	2.4
203.10756	2.2
203.14288	39.8
221.08073	10.7
221.09756	2.7
221.15346	100.0
227.97525	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	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03912	2.4
55.05514	10.4
57.07072	4.3
58.80681	2.6
65.30087	2.3
67.05508	11.2
69.03414	12.2
69.07055	20.8
71.04976	3.7
79.05470	3.2
81.07062	29.6
83.04991	21.3
83.08610	5.4
85.06538	2.7
91.05463	11.5
93.07051	20.8
95.04970	5.3
95.08598	50.0
97.06541	3.5
105.07034	36.0
107.08591	34.3
109.06530	10.2
109.10152	28.7
111.08089	4.1
111.11729	4.3
119.08566	66.8
119.22205	2.7
121.06509	3.7
121.10128	28.6
123.08033	11.1
123.11683	5.5
125.09591	2.8
133.06502	4.7
133.10133	75.4
135.08040	3.3
135.11694	15.1
137.09615	16.8
138.14523	2.7
143.08575	5.0
145.10120	10.6
147.08067	14.8
147.11707	26.7
151.11172	45.4
159.11720	6.1
161.09622	17.9
161.13237	57.1
163.11195	4.8
163.14859	3.3
165.09103	65.1
170.10982	5.2
173.13246	6.2
175.11220	4.8
175.14810	24.1
177.09131	20.7
185.13208	5.4
188.11922	3.1
190.06285	3.0
190.13539	3.8
191.14339	16.5
193.08620	5.2
203.14316	17.9
203.17964	34.9
206.05629	3.9
221.07991	25.5
221.13058	14.4
221.15334	100.0
221.18864	52.2
221.20966	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	221.154
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.01339	7.6
52.54460	8.9
60.51376	7.8
76.53530	8.9
79.05518	12.5
79.41508	9.8
81.07060	15.6
85.54311	9.9
91.05508	13.4
93.07056	18.8
97.06560	13.6
106.74634	8.6
107.08593	9.7
114.53935	8.9
119.08599	41.1
120.25094	8.7
121.10191	19.2
132.55505	9.7
133.10129	15.1
137.08185	13.0
137.09688	11.7
161.13284	44.7
175.14822	39.0
185.13297	62.7
203.14345	63.1
209.13593	9.7
221.15363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.35638	2.1
55.05513	5.4
55.65889	2.1
56.96577	4.3
58.53904	2.2
58.89173	2.0
62.37894	2.4
67.05508	24.8
69.07079	5.6
69.90348	2.0
71.04993	2.9
79.05499	34.1
81.07074	34.0
83.04993	3.8
85.06546	9.5
86.64096	2.3
91.05494	26.5
93.07052	61.3
95.04968	4.3
95.08632	22.3
97.06523	13.0
97.99174	8.5
101.07143	2.1
105.07043	20.5
107.08606	29.7
109.06519	3.9
109.10179	4.4
114.75703	2.7
117.07016	13.0
119.08585	63.4
121.06499	9.6
121.10149	37.2
123.08070	4.8
125.09583	2.4
129.07010	9.7
131.08569	13.8
133.10132	15.8
134.01183	2.8
135.08121	4.6
137.09598	13.7
143.08568	15.3
147.08014	4.1
147.11716	6.0
157.10120	2.8
159.11682	11.5
161.09616	9.7
161.13277	63.4
165.09143	2.5
175.11281	3.8
175.14882	34.1
185.13245	55.8
203.14337	54.4
203.18005	2.5
206.11037	3.6
221.13292	11.4
221.15353	100.0
242.22122	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	221.1537
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
54.13703	4.7
56.59000	4.6
56.96572	12.7
62.48005	5.2
67.05499	11.6
69.19385	4.9
70.35674	5.6
79.05510	20.1
81.07069	30.0
84.13430	5.3
84.35799	6.3
91.05471	14.5
93.07050	50.4
95.08624	8.1
97.99176	10.8
105.07059	12.0
107.08578	22.8
109.10139	5.5
112.46499	6.1
113.51912	6.0
117.07024	6.8
117.52692	5.6
119.08569	64.3
121.06461	6.1
121.10194	40.3
131.08519	7.3
133.10120	23.7
137.09660	8.1
143.08560	7.6
156.93581	6.7
159.11684	8.2
161.13248	55.1
175.14828	38.0
185.13252	47.7
203.14336	52.5
203.45395	6.0
205.60963	6.3
221.13315	16.2
221.15289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52376	0.9
55.95188	0.8
58.06604	1.4
58.78056	0.9
63.28914	0.8
68.26034	0.9
72.08173	1.6
75.96413	1.1
76.08708	1.0
88.02187	1.4
91.05430	1.0
111.06275	1.0
118.06554	1.0
121.20206	1.0
124.03952	2.3
130.06526	6.8
132.04443	4.5
132.08109	6.7
144.08124	4.3
146.06055	5.3
147.04404	16.7
147.06245	1.1
150.09132	15.1
157.07591	2.5
158.06013	15.8
160.07581	88.0
162.05489	6.4
162.09143	5.8
168.92905	1.1
172.07597	6.0
174.09079	1.6
175.07208	1.3
175.08667	24.3
178.08614	2.5
190.08643	7.8
203.11813	15.7
204.06534	2.0
204.10162	9.9
221.09268	5.4
221.12854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
64.91867	0.1
67.30580	0.2
79.05460	0.2
80.62918	0.2
81.07081	0.2
91.05473	1.0
93.07043	0.2
105.07054	0.3
107.08619	0.3
115.05455	0.4
117.07047	1.5
117.37855	0.2
119.08578	0.7
121.10134	0.3
126.78082	0.2
128.06192	0.4
129.07008	0.9
133.06477	0.2
133.10110	0.4
137.54279	0.2
143.08569	0.6
147.08044	0.3
147.11575	0.2
157.06503	1.1
161.05934	0.7
161.13319	0.3
162.06773	1.6
171.08043	0.6
175.07550	2.8
177.09111	100.0
190.06288	0.3
193.08635	0.3
193.35529	0.2
203.10770	0.7
203.17828	0.2
221.08025	1.7
221.09811	0.3
221.11702	0.3
221.15213	0.5
223.57870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89539	0.1
68.00632	0.1
73.66051	0.1
79.15668	0.1
91.05469	0.2
97.52491	0.1
115.05440	0.4
117.07021	1.1
119.08530	0.1
128.06216	0.5
133.06497	0.2
133.10054	0.1
134.07260	0.2
135.08032	0.2
143.08549	0.8
144.05748	0.1
145.06529	0.2
146.07166	0.1
147.08051	0.2
161.05972	1.0
162.06778	1.1
168.45671	0.1
171.08043	0.5
175.07565	2.6
175.11142	0.1
177.09108	100.0
179.86661	0.1
203.07031	0.2
203.10619	0.2
221.06078	0.1
221.11668	0.7
221.15459	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	221.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39261	0.1
72.08128	0.1
91.05459	0.2
94.70181	0.1
96.08125	0.1
105.07035	0.1
114.09116	0.1
115.05485	0.2
117.07026	1.0
128.06213	0.3
133.06526	0.1
134.07262	0.1
135.08066	0.2
143.08575	1.1
145.06517	0.3
147.08061	0.1
161.13231	0.2
162.06770	1.5
171.08046	0.7
175.07552	2.3
177.09114	100.0
188.08290	0.1
203.10687	0.5
203.14180	0.1
221.08147	0.2
221.11786	0.5
221.15431	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	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55198	0.0
80.38984	0.0
81.07041	0.1
91.05449	0.3
105.07054	0.1
109.06522	0.1
110.88233	0.1
115.05447	0.3
116.06264	0.1
117.07026	1.1
119.04970	0.1
119.08575	0.1
121.10220	0.1
122.14264	0.0
123.53846	0.0
128.06227	0.2
131.08493	0.1
133.06477	0.3
133.10088	0.1
135.08051	0.3
143.08554	0.9
145.06465	0.3
147.07983	0.1
147.88904	0.0
161.05917	0.3
162.06746	1.3
171.08051	0.9
175.07550	2.3
175.11128	0.1
177.09102	100.0
203.10655	0.4
221.11613	0.5
221.15379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41235	0.3
53.83926	0.4
56.05004	0.4
63.96299	0.3
70.06578	0.9
72.08147	0.4
74.06062	0.6
82.02934	1.0
86.09638	0.4
90.05579	0.7
94.06606	3.1
109.60899	0.4
120.08123	0.6
121.11542	0.5
130.06534	42.2
132.04460	20.2
141.29744	0.4
144.99594	0.4
148.07573	3.1
151.20404	0.4
157.07619	38.1
158.06020	66.3
159.09145	0.6
175.08669	100.0
176.07059	2.1
185.07101	1.9
186.05495	2.3
203.08171	21.8
204.06535	4.9
204.10167	0.6
221.09233	21.8
221.12793	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	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
52.17410	0.2
54.86509	0.3
64.49148	0.3
65.03938	0.3
67.05544	0.3
69.03423	0.3
70.06584	0.5
72.08166	0.5
74.02475	0.4
74.06104	0.4
74.14068	0.3
75.02719	0.3
75.10484	0.3
82.02937	1.2
90.02126	0.3
90.05593	0.5
93.38612	0.3
94.06586	2.6
108.14379	0.3
110.94421	0.3
116.96356	0.4
120.08135	0.3
130.06532	42.4
132.04456	24.2
133.36523	0.3
147.09232	0.7
148.07582	4.3
157.07617	38.9
158.06015	70.3
159.09224	0.5
161.09749	0.3
175.08665	100.0
176.07123	2.1
185.07143	1.4
186.05496	2.4
203.08154	20.6
204.06549	3.5
221.09201	21.3
221.12465	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	221.0809
Annotation	Polygonolide
Peak:m/z	Relative Intensity
50.69080	0.1
55.05508	0.3
64.83788	0.1
65.03928	0.2
67.05507	0.2
69.03418	0.2
69.07063	0.3
71.04971	0.2
74.97792	0.1
79.05492	0.2
81.07062	0.2
82.72405	0.1
83.04984	1.3
89.03908	0.8
91.05485	0.6
91.06244	0.2
93.07037	0.7
95.04954	0.6
95.08585	0.3
96.08093	0.2
105.07036	1.2
107.08567	0.3
108.59383	0.2
109.06502	0.2
109.10173	0.2
110.81596	0.2
115.05463	0.6
117.03367	2.2
117.07015	2.1
119.08601	1.5
121.06493	0.2
121.10134	0.4
123.08047	0.2
125.09681	0.2
128.06242	0.3
131.08487	0.3
133.06532	0.3
133.10135	1.9
134.03592	0.3
137.09616	0.3
139.53540	0.2
143.04948	0.3
143.08566	1.0
145.02843	18.6
145.06471	0.8
145.10129	0.8
147.08052	1.1
147.11658	0.3
149.05991	1.0
149.09630	0.2
151.11201	0.3
159.11703	0.3
160.53600	0.2
161.05984	1.2
161.09630	0.7
161.13237	1.1
162.06721	1.4
165.09082	1.2
171.07996	0.8
173.13231	0.8
175.07539	2.8
175.11156	0.8
175.14819	0.9
177.05498	27.2
177.09097	100.0
184.48846	0.2
186.05479	0.2
191.14284	1.1
192.55699	0.2
203.07014	0.6
203.10660	0.4
203.14323	0.9
206.05746	4.1
221.08078	70.7
221.15289	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	221.081
Annotation	Polygonolide
Peak:m/z	Relative Intensity
57.99606	0.4
72.10562	0.5
72.16400	0.4
84.38450	0.5
87.66386	0.4
89.03915	0.8
96.35995	0.4
103.51135	0.4
104.58421	0.5
114.18766	0.4
116.64526	0.6
117.03407	3.6
121.09348	0.4
134.03673	0.9
145.02856	30.8
149.05948	1.9
177.05478	41.6
198.21556	0.4
206.05759	6.2
221.08086	100.0
229.31073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88027	0.4
55.59565	0.4
59.21552	0.4
61.87665	0.4
62.05283	0.4
67.45093	0.5
70.26407	0.4
77.88393	0.4
81.66077	0.6
89.03892	1.1
93.39159	0.5
116.72846	0.5
117.03401	3.8
145.02859	29.0
149.06015	1.1
171.32582	0.5
177.05466	40.4
206.05751	5.9
221.08092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05443	0.7
50.37867	0.6
60.13149	0.9
82.50526	0.7
104.10754	100.0
111.53332	0.8
140.06003	0.9
143.20451	0.8
157.53334	0.8
221.04263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.17
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25808	0.2
70.20695	0.2
73.90701	0.2
77.03915	0.3
79.05501	1.4
80.24625	0.2
103.05476	1.7
105.07039	100.0
118.38984	0.4
122.09692	0.4
128.10699	1.2
202.15912	0.6
220.16965	25.3
231.73077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67570	0.3
63.11541	0.4
66.08507	0.4
70.54176	0.4
71.08641	10.1
71.52789	0.4
73.07161	0.4
79.05509	2.1
87.87063	0.4
99.08105	3.9
102.02324	0.5
103.05441	0.6
105.07040	100.0
116.10756	1.7
122.09676	42.4
137.92281	0.6
149.43990	0.4
205.08626	0.8
216.35693	0.5
217.57683	0.4
220.13724	0.6
220.14961	0.8
220.16965	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
57.68716	0.2
90.36695	0.2
92.34226	0.2
96.97320	0.2
108.54561	0.2
117.78503	0.2
118.06539	1.6
120.08915	0.2
131.04958	0.4
132.08060	0.3
146.09500	0.3
146.10504	0.3
160.12033	0.3
162.09117	1.9
162.13608	0.2
162.72725	0.2
163.03891	1.1
176.10736	0.8
176.14337	12.9
177.11447	0.4
186.13412	0.2
190.12262	0.8
202.16673	0.4
220.09972	1.4
220.16957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
52.45328	0.5
57.07076	3.4
59.05009	4.0
67.05495	3.1
69.07076	4.4
70.02937	3.8
72.04523	11.7
73.02916	3.1
85.06561	11.5
86.09714	1.0
87.08078	1.9
90.05559	100.0
95.04984	5.5
96.08150	1.1
98.02412	15.6
100.03971	2.6
103.07588	7.2
113.05995	2.4
116.03465	14.2
124.07591	18.3
131.07013	0.9
142.08632	9.0
148.51143	0.6
156.10185	1.0
156.25668	0.5
160.09747	2.1
166.08591	3.8
174.11224	2.4
184.09700	22.0
202.10742	29.5
220.11792	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	220.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09114	0.9
66.48071	1.0
68.41817	0.9
70.16259	0.9
77.06758	0.9
85.27438	1.0
99.47476	0.9
114.28333	1.1
117.04258	27.0
133.03741	95.8
133.68242	1.0
138.10265	6.0
146.06897	100.0
160.08479	13.2
161.09241	32.3
176.07886	1.7
176.11600	13.7
220.10567	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
53.39151	1.1
57.07087	3.3
59.04996	1.7
60.04524	1.6
67.05515	2.1
68.05003	1.3
69.07056	2.5
70.02940	3.4
70.06589	2.1
70.32845	1.3
72.04507	8.6
73.02901	5.5
74.02455	2.1
82.06587	15.4
85.06548	8.7
86.09686	1.9
87.08119	1.6
90.05563	100.0
94.06566	13.0
94.93200	1.3
95.04995	2.5
95.06097	52.6
98.02413	16.1
103.07603	11.0
112.91192	1.5
116.03462	17.0
124.07607	20.8
132.08090	2.8
142.08635	6.0
156.10255	2.2
159.09071	1.8
160.09764	2.3
163.03905	58.8
174.11299	2.6
176.10449	2.6
176.11835	46.6
184.09689	25.4
202.10765	33.1
220.09711	39.5
220.11807	34.3
220.15233	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	220.0968
Annotation	Trolline
Peak:m/z	Relative Intensity
52.76813	0.6
61.53297	0.6
72.04522	1.3
80.65452	0.6
85.06531	1.3
85.07814	0.7
90.05556	17.0
95.04952	0.8
98.02398	0.9
103.07594	1.3
112.11174	0.8
116.03448	3.0
124.07561	3.2
128.10742	0.8
142.08633	1.2
145.02856	3.1
156.10252	0.7
160.09714	0.8
162.05510	0.8
163.03891	100.0
182.30925	0.7
184.09688	3.9
202.10757	5.1
220.09703	93.3
220.11745	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	220.0971
Annotation	Trolline
Peak:m/z	Relative Intensity
50.89402	0.6
53.92085	0.6
54.83855	0.7
55.05491	0.9
57.02186	0.8
70.06618	0.8
76.79828	0.7
82.54071	0.7
90.05517	1.0
92.18587	0.9
100.91750	0.7
106.07329	1.1
120.08094	1.5
135.04425	1.6
136.08408	0.9
145.02869	3.1
146.06003	12.7
147.00488	0.8
147.04463	1.3
163.03902	100.0
176.04692	1.2
195.81769	1.0
202.05765	1.1
202.10690	1.1
220.09694	95.2
220.13298	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	220.0971
Annotation	(2S,3R)-2-Hydroxy-3-(indol-3-yl)butanoate
Peak:m/z	Relative Intensity
50.57219	0.4
50.80101	0.6
51.47824	0.5
51.91127	0.5
56.05020	0.9
59.44721	0.6
59.49287	0.5
68.05038	7.7
72.04501	3.4
73.02839	0.6
79.05495	7.4
84.04494	0.9
89.03886	0.6
91.05487	8.6
103.05478	12.4
105.07038	62.0
107.04958	14.6
117.07014	0.8
118.06565	1.0
119.64452	0.6
120.08121	11.1
129.07002	14.7
130.06537	15.0
131.04919	9.5
131.08505	0.7
132.08099	0.8
133.10139	0.9
134.10469	1.2
144.08052	4.5
145.06480	0.9
146.09645	18.4
156.08078	21.3
157.06482	2.8
163.03929	10.6
172.07573	0.8
174.09148	100.0
176.07045	2.7
192.10272	0.8
220.09691	75.3
220.17770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22596	0.2
58.69519	0.2
58.99598	1.8
59.99112	1.0
60.39734	0.2
61.93291	0.2
70.94421	0.2
72.08142	0.4
73.02892	0.4
84.56073	0.3
86.09736	0.4
86.99068	3.5
88.02216	6.9
88.11284	0.3
90.05561	0.5
96.08925	0.3
98.02472	0.3
99.59920	0.3
105.00091	2.5
105.03407	3.9
105.07009	0.3
109.95723	0.3
116.05322	1.8
124.13988	0.3
133.03183	1.5
136.06161	0.3
142.27840	0.3
144.08026	0.3
145.08475	0.4
145.10167	0.3
146.10492	0.4
155.02621	0.2
158.06816	0.4
160.12013	0.5
163.03970	0.4
163.98317	1.5
174.92783	0.3
175.07071	0.5
179.03401	0.6
190.09436	1.1
192.01494	10.0
202.09471	0.6
202.16769	0.3
209.09512	0.3
220.04619	100.0
220.10262	2.4
220.17473	0.5
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	(E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
Peak:m/z	Relative Intensity
50.27769	0.6
60.47586	0.6
67.05520	6.4
69.07096	0.8
81.07043	3.9
85.02909	0.7
92.17819	1.4
93.07021	0.7
95.08591	1.0
98.09557	0.6
105.07009	1.0
107.08600	1.5
109.10165	35.2
115.87982	0.7
119.08537	1.5
121.10145	2.7
131.04918	3.0
131.08510	0.9
133.10114	1.5
145.10068	0.8
159.11671	1.2
160.81496	0.6
161.13235	2.5
173.13248	1.0
175.14861	0.7
176.64102	0.7
178.21471	0.6
185.13327	0.7
189.42117	0.6
201.12746	0.9
203.14337	25.5
219.08212	0.8
219.10172	1.5
219.15105	7.3
219.17429	100.0
228.62794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1746
Annotation	Occidol
Peak:m/z	Relative Intensity
55.05518	3.9
57.07093	3.9
66.42230	2.9
67.05499	16.3
69.03418	4.4
69.07072	19.6
71.05006	4.6
79.05489	10.6
81.07074	43.0
81.35146	2.9
83.08595	3.3
85.02908	3.3
91.05479	17.1
91.05983	2.3
91.55025	2.5
93.07055	27.7
95.04993	3.6
95.08620	31.4
97.06531	11.3
105.07043	63.4
107.08585	35.8
109.06502	4.5
109.10160	25.3
111.04424	2.6
117.07006	15.1
119.08585	67.4
121.06510	9.9
121.10136	34.0
123.08123	3.9
123.11700	4.0
125.09635	3.6
129.07011	3.3
129.64035	2.4
131.04973	6.0
131.08577	63.3
133.10120	32.2
135.08046	15.0
135.11693	17.9
136.93121	3.0
143.08598	3.5
144.09430	4.3
145.06432	5.0
145.10120	65.8
147.11707	20.2
149.09669	4.6
149.13258	4.4
151.07603	3.3
151.11223	2.7
151.56972	2.9
154.94206	4.9
157.10141	5.9
158.10954	5.8
159.08089	20.1
159.11684	77.7
161.09721	2.5
161.13248	58.4
163.07507	9.9
163.11220	4.3
172.95331	3.7
173.06020	3.6
173.09653	12.3
173.13252	78.8
174.06764	6.2
175.07536	12.5
175.14835	13.0
177.09041	2.9
177.12732	3.5
183.11684	2.9
189.09143	11.1
189.16402	3.4
191.14308	9.5
191.17950	3.0
196.51266	3.1
201.09143	3.8
201.12825	28.0
201.16385	60.6
219.08104	5.3
219.10141	50.6
219.13884	36.1
219.17404	100.0
239.39603	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	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05530	0.8
57.07062	0.7
57.94564	0.5
67.05184	0.8
67.05518	18.4
68.28757	0.5
69.07063	3.4
71.04983	0.8
76.72189	0.5
79.05481	0.9
79.57174	0.4
79.94859	0.5
81.07066	9.3
83.08616	0.5
88.78841	0.5
91.05482	3.4
93.07059	4.6
95.08617	4.8
97.06531	0.9
105.07040	8.0
107.08594	6.3
109.06532	0.8
109.10167	100.0
117.07022	2.4
119.08573	6.9
121.06532	0.9
121.10184	5.0
123.08089	0.8
123.11718	2.3
129.06979	0.7
131.04924	0.9
131.08539	4.4
133.10159	2.6
135.08063	2.0
135.11705	2.8
141.07011	0.6
145.10143	10.5
147.11713	2.7
149.09647	0.9
149.13220	0.9
151.11232	0.7
157.10100	0.8
159.11708	11.3
161.13278	5.5
163.11143	2.0
173.13281	4.4
175.14825	2.9
177.12805	0.6
177.16353	0.7
183.11742	1.3
187.07544	2.1
191.08620	0.6
191.14351	1.0
201.12755	2.5
201.16389	8.3
219.10153	2.9
219.13579	1.5
219.15102	3.0
219.17412	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	219.1742
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05529	1.5
57.07099	0.4
57.64503	0.2
67.05516	16.3
69.07087	2.7
70.81140	0.2
71.04989	0.3
77.55710	0.2
79.05502	1.7
81.07066	10.1
83.05028	0.3
83.08643	0.4
85.70107	0.2
89.65871	0.2
91.05492	1.3
92.18345	0.2
93.07046	3.6
95.04981	0.9
95.08614	3.4
97.06540	1.0
105.03424	0.2
105.07046	6.0
107.08604	5.0
109.06515	1.2
109.10168	100.0
111.08096	0.5
117.07034	1.3
119.08604	3.6
121.06512	0.4
121.10143	3.6
123.08055	1.0
123.11730	1.4
125.09702	0.7
128.25963	0.2
131.04912	0.3
131.08572	3.0
133.10147	2.6
135.08049	0.5
135.11696	3.0
137.09607	0.4
141.07030	0.3
145.10144	7.1
147.11734	1.9
149.09641	1.1
149.13214	1.7
151.11197	1.1
159.08022	0.4
159.11700	8.6
160.07600	0.2
161.13257	7.0
163.11186	2.2
163.14938	0.3
173.13289	2.0
175.07642	0.3
175.14810	1.7
177.12793	0.8
177.16386	1.2
189.09175	0.4
191.14238	0.3
191.17947	0.4
201.16405	7.3
219.06552	0.3
219.10156	1.4
219.11786	0.6
219.15001	2.5
219.17427	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	219.1744
Annotation	Occidol
Peak:m/z	Relative Intensity
51.69910	1.2
52.49277	1.2
54.22853	1.2
55.05502	6.0
57.07051	1.7
67.05497	10.8
68.51819	1.5
69.07056	8.1
69.47964	1.6
71.04988	1.9
72.08146	7.7
76.22221	1.4
79.05477	8.0
81.07072	32.1
83.08594	2.4
91.04970	2.2
91.05473	19.5
93.07062	17.3
95.08612	30.7
97.06554	5.6
103.05439	2.5
105.07038	63.8
107.08598	24.1
109.10159	16.1
115.05473	1.9
117.07023	20.1
119.07722	2.1
119.08583	62.5
121.10146	18.6
123.11688	6.2
125.09653	2.4
129.07016	5.7
131.04929	51.5
131.08566	44.1
133.10139	24.7
135.08026	1.8
135.11696	7.1
137.18317	1.5
141.06956	6.0
143.08513	2.4
144.09360	2.8
145.10135	62.7
147.11678	26.7
149.09657	2.3
157.06522	6.2
157.10039	2.8
158.07306	1.9
158.10973	2.2
159.08006	8.3
159.10370	2.9
159.11700	77.8
161.13260	92.7
163.11137	6.8
163.14798	2.9
169.06421	3.2
172.12494	2.7
173.13260	15.7
174.06772	18.6
175.07480	2.2
175.14844	11.2
177.12755	3.1
177.16409	7.7
186.06793	2.6
189.09151	28.9
189.16348	2.9
191.07092	1.7
191.17926	1.6
201.09122	13.9
201.16385	61.5
202.12259	22.6
219.10168	29.6
219.14983	11.0
219.17424	100.0
231.99898	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	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05520	0.4
66.72170	0.2
67.05514	14.0
69.07065	1.3
79.05523	0.3
81.07069	5.0
93.07043	0.3
95.08601	0.4
105.07054	0.5
107.02892	0.3
107.08591	1.6
109.10163	100.0
119.08578	0.5
121.10188	0.4
123.11710	0.3
132.38039	0.2
133.10097	0.5
135.11679	0.9
145.10150	0.8
151.11182	0.5
159.11696	1.0
161.13287	1.3
163.11128	0.5
168.03693	0.2
201.16389	1.3
206.74310	0.3
219.10289	0.2
219.15260	0.4
219.17416	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	219.1748
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05530	10.6
55.85967	1.1
57.07079	2.7
67.05501	6.0
69.07078	11.9
71.04980	2.1
73.64665	1.5
75.73081	1.3
79.05490	5.6
80.85174	1.3
81.07091	14.5
83.05017	1.4
83.08619	3.0
85.02895	1.7
85.06574	2.4
91.05463	7.0
92.86638	1.4
93.07050	13.9
95.04951	1.9
95.08607	17.3
95.27631	1.5
97.06565	1.7
101.49689	1.3
105.07041	16.2
107.08603	26.3
109.06497	1.6
109.10170	30.1
117.07021	3.2
119.08588	29.8
121.10142	20.4
122.05324	1.3
123.08103	2.0
123.11676	3.2
131.04924	9.8
131.08559	20.0
133.10147	31.0
135.11702	23.1
145.10150	38.6
147.11714	36.5
149.09634	26.8
149.13237	5.6
156.17543	1.9
157.17833	25.4
159.08064	1.7
159.11705	48.0
161.09482	1.6
161.13228	11.5
163.11198	21.4
165.12729	7.0
173.13269	14.3
175.14839	5.7
177.09047	1.9
177.12669	1.8
177.16327	2.6
187.09496	1.6
191.06993	1.7
191.17986	5.6
201.09059	2.3
201.16418	51.5
202.12250	3.3
219.10196	6.2
219.15115	9.9
219.17433	100.0
219.21452	28.3
220.02612	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	219.1746
Annotation	Ishwarone
Peak:m/z	Relative Intensity
55.05295	0.7
55.05523	13.0
67.05511	13.9
69.03418	0.7
69.07056	4.8
76.40172	0.7
79.05479	1.7
81.07069	8.3
83.04981	1.8
83.08607	3.2
86.01565	0.8
86.11491	0.8
91.05468	1.1
93.07066	6.1
95.04946	4.5
95.08611	6.0
99.15296	0.8
105.07036	8.5
107.08588	10.3
109.06504	3.0
109.10165	100.0
116.14014	0.7
117.07053	1.4
119.08588	8.6
121.06512	1.0
121.10150	12.3
123.11688	1.9
131.08583	3.6
133.10107	5.1
135.08052	4.3
135.11723	9.9
138.51955	0.9
145.10141	12.0
147.11708	1.7
149.09625	27.7
149.13235	1.6
150.51460	0.7
151.11136	1.1
159.11700	7.9
161.13245	7.2
163.11182	21.0
163.14873	0.9
164.11963	0.7
165.12802	5.8
173.13268	4.2
174.70502	0.8
175.14813	1.9
177.16338	1.4
189.09084	1.1
191.17992	4.1
201.16347	10.0
219.10072	4.7
219.17438	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	219.1745
Annotation	Bisacumol
Peak:m/z	Relative Intensity
53.71233	0.7
55.05508	1.8
57.07074	1.2
60.39798	0.8
67.05514	11.4
67.09659	0.7
69.03380	0.9
69.07053	3.3
79.05505	8.3
81.03383	1.2
81.07065	12.8
83.08614	3.5
91.05491	11.6
93.07036	16.6
94.42142	0.9
95.04961	1.4
95.08603	10.0
97.10195	1.0
98.72527	0.9
103.15360	1.0
105.07047	6.2
107.04954	7.2
107.08617	8.0
109.06515	2.1
109.10142	4.3
117.07024	7.8
119.08582	6.8
121.06456	5.2
121.10126	9.8
123.08099	1.1
123.11721	1.4
131.04883	1.4
131.08597	14.4
133.10123	5.0
135.08086	1.9
135.11668	5.6
145.10133	6.2
149.13258	1.6
159.11694	1.2
161.13251	1.4
182.91724	0.9
188.10637	1.8
201.16400	4.0
219.14967	14.8
219.17421	100.0
219.20921	3.0
225.58714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.01257	0.2
55.01895	0.3
55.05514	1.2
67.05516	13.6
69.03441	0.7
69.07079	1.8
75.41188	0.1
79.05507	0.8
81.07072	5.8
81.98108	0.2
83.04990	0.2
85.02914	2.3
87.00809	0.2
89.21597	0.2
91.05487	0.8
93.07065	1.8
95.04964	0.3
95.08604	1.9
97.02894	1.0
97.06532	0.4
97.67163	0.2
105.07034	1.9
107.08601	2.8
109.06527	0.9
109.10165	100.0
111.08106	0.3
115.03928	0.9
115.05512	0.2
117.07027	0.4
119.08581	2.1
121.06515	0.3
121.10149	1.5
123.08076	0.2
123.11696	0.7
125.09560	0.2
129.07010	0.3
131.08556	2.0
133.10129	1.2
135.08084	0.3
135.11703	1.4
137.09641	0.3
141.07025	0.4
145.10106	2.6
147.08092	0.2
147.11662	0.9
149.09641	1.5
149.13257	0.4
151.11157	0.9
157.06493	0.3
159.08015	0.8
159.11679	3.0
160.05208	0.4
161.13225	2.3
163.11171	1.8
165.12761	0.3
169.06480	0.2
173.13268	0.8
174.06758	0.9
175.07520	1.2
175.11140	0.2
175.14784	0.8
177.12645	0.4
177.16367	0.3
186.06729	0.4
189.09152	2.0
191.17996	0.3
201.05432	0.2
201.09073	0.7
201.12767	0.3
201.16389	2.9
219.10150	2.6
219.13841	0.7
219.17432	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	219.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42314	0.2
57.07055	0.2
69.07073	0.2
72.08161	12.4
73.77757	0.2
79.05470	0.3
81.07095	0.3
89.10782	1.5
91.05478	0.4
92.17765	0.2
93.07001	0.3
100.00450	0.2
103.05483	5.6
105.07024	0.4
107.08575	0.5
109.10156	0.3
111.87067	0.2
117.07011	0.3
119.08559	1.2
121.10148	0.3
131.04935	100.0
131.08606	1.3
133.10109	0.5
141.07030	0.3
145.10159	1.4
147.11691	0.3
148.06512	2.3
148.07581	0.8
159.08101	0.5
159.11713	1.5
160.07637	0.2
173.13240	2.2
174.06786	0.3
187.09509	1.1
188.10721	0.3
189.09195	1.5
201.09216	0.4
201.16393	0.6
202.12274	40.2
219.10147	2.3
219.15013	17.0
219.17467	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37856	0.2
72.08161	11.2
89.10786	1.8
103.04799	0.3
103.05475	7.5
115.08685	0.3
131.04932	100.0
135.08026	0.3
148.07571	1.0
154.19684	0.2
181.09923	0.3
202.12270	43.2
219.14926	19.0
219.17039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67601	0.2
51.00194	0.2
52.29402	0.3
56.67649	0.2
56.86633	0.3
59.46017	0.2
68.89993	0.2
72.08164	11.3
74.04525	0.2
81.24068	0.2
81.39514	0.2
89.10809	1.4
92.18433	0.3
96.07655	0.2
103.05471	6.5
117.78020	0.2
121.07063	0.2
129.34081	0.3
131.04938	100.0
133.10118	0.4
148.07590	1.0
202.12280	39.6
219.14941	15.6
237.22250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56135	0.2
54.41426	0.2
55.05499	0.3
64.08643	0.2
67.05492	0.3
69.07084	0.2
72.08163	34.5
77.03899	0.2
81.07044	0.9
89.10800	16.3
91.05486	0.4
93.07044	0.4
95.04943	0.3
95.08608	0.7
97.06519	0.3
97.50132	0.2
98.97581	0.2
103.05475	9.1
105.07024	1.1
107.08582	0.9
109.10150	0.2
115.86770	0.2
117.07024	0.8
119.08563	1.1
120.08083	0.4
121.10134	0.8
123.30141	0.2
127.27084	0.2
130.06613	0.2
131.04935	100.0
131.08554	1.1
133.10149	0.8
135.08025	0.7
135.11644	0.3
141.92320	0.2
145.06448	0.3
145.10135	1.5
148.07558	1.0
149.09669	0.2
149.53003	0.2
159.08022	0.2
159.11693	2.7
161.09697	0.3
161.13274	0.8
173.05891	0.2
173.13226	0.7
174.06693	0.4
175.07538	1.4
175.14853	0.4
175.52066	0.2
177.12753	0.4
177.16393	0.3
191.14264	0.2
201.05577	0.4
201.16470	1.2
201.70029	0.2
202.12279	29.7
219.10220	2.9
219.15005	19.3
219.17461	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	219.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56135	0.2
54.41426	0.2
55.05499	0.3
64.08643	0.2
67.05492	0.3
69.07084	0.2
72.08163	34.5
77.03899	0.2
81.07044	0.9
89.10800	16.3
91.05486	0.4
93.07044	0.4
95.04943	0.3
95.08608	0.7
97.06519	0.3
97.50132	0.2
98.97581	0.2
103.05475	9.1
105.07024	1.1
107.08582	0.9
109.10150	0.2
115.86770	0.2
117.07024	0.8
119.08563	1.1
120.08083	0.4
121.10134	0.8
123.30141	0.2
127.27084	0.2
130.06613	0.2
131.04935	100.0
131.08554	1.1
133.10149	0.8
135.08025	0.7
135.11644	0.3
141.92320	0.2
145.06448	0.3
145.10135	1.5
148.07558	1.0
149.09669	0.2
149.53003	0.2
159.08022	0.2
159.11693	2.7
161.09697	0.3
161.13274	0.8
173.05891	0.2
173.13226	0.7
174.06693	0.4
175.07538	1.4
175.14853	0.4
175.52066	0.2
177.12753	0.4
177.16393	0.3
191.14264	0.2
201.05577	0.4
201.16470	1.2
201.70029	0.2
202.12279	29.7
219.10220	2.9
219.15005	19.3
219.17461	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	219.1494
Annotation	Eseroline
Peak:m/z	Relative Intensity
57.07076	3.3
58.06604	2.8
58.07409	1.3
58.82841	0.5
66.93382	0.5
68.66733	0.6
69.07070	1.4
70.00822	0.5
70.06599	5.8
72.08168	0.8
73.52291	0.5
74.02451	0.6
81.07063	2.4
85.02904	1.0
86.09704	6.0
88.03991	2.7
89.04318	2.3
91.05499	0.7
95.08620	0.6
102.77533	0.6
105.07034	0.9
106.51144	0.5
107.08591	1.2
109.10168	1.4
118.06522	3.6
119.08576	1.3
120.08133	3.6
121.08885	2.7
121.10156	1.0
131.04883	0.6
131.08562	2.7
132.08098	6.9
134.04498	3.8
134.09668	3.6
135.04836	3.1
135.11679	0.8
143.07277	1.3
144.08086	15.7
144.09184	0.8
145.10133	2.5
146.09671	5.9
147.06831	0.9
148.11197	1.4
158.09656	86.6
159.11696	10.9
160.07616	3.7
160.11232	2.5
161.09528	0.6
161.13319	0.8
162.09120	2.6
170.09605	7.9
170.10597	0.5
171.09253	1.2
172.11211	0.8
173.13237	1.2
175.07518	1.2
176.10713	28.2
177.12723	0.8
185.10765	1.3
186.11539	28.8
188.10764	4.0
189.13882	3.7
201.13881	100.0
202.08684	5.9
219.10191	5.0
219.14963	93.7
219.17310	3.2
219.58510	2.0
221.57013	0.5
221.67038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	3.3
58.06604	2.8
58.07409	1.3
58.82841	0.5
66.93382	0.5
68.66733	0.6
69.07070	1.4
70.00822	0.5
70.06599	5.8
72.08168	0.8
73.52291	0.5
74.02451	0.6
81.07063	2.4
85.02904	1.0
86.09704	6.0
88.03991	2.7
89.04318	2.3
91.05499	0.7
95.08620	0.6
102.77533	0.6
105.07034	0.9
106.51144	0.5
107.08591	1.2
109.10168	1.4
118.06522	3.6
119.08576	1.3
120.08133	3.6
121.08885	2.7
121.10156	1.0
131.04883	0.6
131.08562	2.7
132.08098	6.9
134.04498	3.8
134.09668	3.6
135.04836	3.1
135.11679	0.8
143.07277	1.3
144.08086	15.7
144.09184	0.8
145.10133	2.5
146.09671	5.9
147.06831	0.9
148.11197	1.4
158.09656	86.6
159.11696	10.9
160.07616	3.7
160.11232	2.5
161.09528	0.6
161.13319	0.8
162.09120	2.6
170.09605	7.9
170.10597	0.5
171.09253	1.2
172.11211	0.8
173.13237	1.2
175.07518	1.2
176.10713	28.2
177.12723	0.8
185.10765	1.3
186.11539	28.8
188.10764	4.0
189.13882	3.7
201.13881	100.0
202.08684	5.9
219.10191	5.0
219.14963	93.7
219.17310	3.2
219.58510	2.0
221.57013	0.5
221.67038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25241	0.1
57.32248	0.2
71.05698	0.2
72.08162	11.8
84.92770	0.2
85.02901	0.2
89.10802	2.1
91.69859	0.2
91.80449	0.2
92.36321	0.2
95.04972	0.3
95.84565	0.2
103.05472	6.1
115.08701	0.3
131.04935	100.0
134.84720	0.2
148.07571	1.2
160.07567	0.3
161.07915	0.4
166.58350	0.2
181.71924	0.2
187.09502	1.7
188.10236	0.2
202.12273	38.6
219.14935	15.5
219.17081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1496
Annotation	Eseroline
Peak:m/z	Relative Intensity
54.43361	0.2
58.06599	2.0
62.18048	0.3
76.37992	0.2
78.68178	0.3
82.40927	0.3
91.05465	0.4
93.07037	0.4
95.08607	1.2
105.07058	0.5
107.08627	0.4
109.10197	0.4
117.07013	0.7
119.08560	1.3
120.08084	0.6
121.08895	7.5
121.09742	0.4
121.10173	0.5
122.09674	1.5
129.06990	0.6
131.04933	0.4
131.08562	1.6
132.08102	0.4
133.10168	0.4
141.07004	1.2
145.10107	1.2
147.06787	1.5
147.11678	0.4
148.11203	1.2
157.06458	0.4
158.09636	1.7
159.08070	1.6
159.11690	3.8
160.07574	1.4
160.11209	4.2
161.08035	0.5
169.06523	0.5
173.05998	0.5
173.08327	1.5
173.13193	0.6
174.06764	1.4
174.09189	0.3
175.07561	1.2
177.92479	0.3
186.09148	0.3
187.09474	3.7
188.10696	12.8
189.09103	2.8
201.09117	1.7
201.12468	0.3
201.16367	0.7
204.12622	2.5
219.10435	3.6
219.14938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	1.7
59.04986	0.8
69.03420	0.8
70.06589	8.9
74.06059	1.7
88.03928	0.9
88.76548	0.8
92.18372	1.2
94.86090	0.9
106.90425	0.8
110.18031	1.0
118.06523	3.6
120.08075	3.5
121.08852	2.0
130.06519	1.3
132.08116	7.4
134.09666	4.6
144.08070	17.3
145.06458	0.9
146.09679	8.0
147.04439	3.5
148.04765	10.2
148.05858	1.4
148.11208	2.1
158.09637	84.2
160.11183	1.4
161.05965	1.2
162.09090	1.7
170.09587	7.7
171.09113	1.0
172.11266	0.8
176.10693	32.0
177.09123	1.4
186.11511	36.2
188.10654	3.5
189.08974	1.1
201.13860	100.0
219.12138	5.2
219.14915	91.6
237.25781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1384
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
64.41845	0.4
69.03421	0.7
76.03870	0.4
82.09464	0.4
91.05438	0.5
105.07027	0.9
118.26019	0.4
119.08556	1.6
126.87287	0.4
131.08594	3.8
133.10089	0.6
143.08559	0.8
145.10136	9.0
149.09619	0.6
155.08553	2.5
157.10098	0.6
158.10887	2.7
159.08122	0.5
159.11693	3.9
163.11163	2.3
168.09335	6.3
171.11688	0.7
172.08797	1.9
173.09607	3.3
173.13283	11.7
174.10475	0.5
183.11702	12.0
186.10408	4.8
191.14352	0.6
199.11232	1.8
201.12761	76.9
219.13812	100.0
232.28441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	7-Oxo-14-nor-4-isocedren-15-al
Peak:m/z	Relative Intensity
50.18839	2.8
56.96569	21.5
57.07068	13.0
61.76033	2.5
67.05519	6.2
70.98117	15.8
72.48832	2.6
75.77695	3.6
81.07065	14.6
83.08617	3.5
85.02918	15.2
88.99158	4.2
89.00775	6.2
93.07032	5.3
95.08614	12.4
96.87241	3.0
98.01314	5.4
99.04449	5.8
105.07009	4.6
107.08601	6.7
109.10114	11.6
110.10436	3.9
119.08602	4.0
121.10146	100.0
123.08014	4.0
124.12104	3.0
125.05961	22.7
129.57635	4.1
131.04912	4.4
131.08592	5.1
135.11708	18.0
145.10196	3.7
148.58365	3.3
159.11708	5.1
166.09315	10.8
166.59521	19.6
173.13237	5.8
175.09828	28.2
175.49533	3.4
175.59999	34.5
183.06946	5.1
184.60545	3.7
201.07878	4.0
201.12692	7.0
202.12300	4.0
218.96336	3.2
219.10214	12.4
219.13553	91.9
219.17468	34.6
219.21045	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	219.1381
Annotation	7-Oxo-14-nor-4-isocedren-15-al
Peak:m/z	Relative Intensity
55.05527	8.6
56.96576	7.7
60.53576	5.0
69.03425	10.4
79.05503	8.3
80.12582	4.4
81.07053	11.5
81.21860	5.1
83.04987	33.3
84.77773	4.6
85.02909	10.6
91.05503	12.9
93.07043	21.6
94.30763	5.5
95.08582	9.5
95.19662	6.7
105.07040	9.9
107.04981	7.7
107.08601	47.2
109.06525	26.3
117.07064	8.2
119.08569	13.3
121.10183	22.5
131.08546	25.6
133.10114	11.0
135.08089	44.9
135.11694	11.1
145.10143	22.3
147.11673	7.8
149.09612	7.4
154.94250	5.2
159.11713	28.8
163.07535	30.2
163.08824	6.3
164.09612	7.1
173.13255	34.2
175.11137	18.1
178.09303	38.4
183.11766	5.7
187.09848	9.1
190.13539	8.1
191.14304	100.0
196.10356	9.3
201.09077	6.7
201.12759	36.7
203.14401	7.1
219.10210	8.8
219.13821	38.8
219.15356	22.0
219.17522	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1382
Annotation	7-Oxo-14-nor-4-isocedren-15-al
Peak:m/z	Relative Intensity
52.99809	4.7
55.05510	9.4
56.96561	10.8
69.03434	11.1
74.34489	6.4
78.96151	5.1
79.05503	9.7
81.07056	9.9
81.19920	5.6
83.04995	48.8
83.08610	5.1
85.02900	21.6
91.05508	7.4
92.73178	5.4
93.07046	9.1
95.08582	5.9
105.07063	6.2
107.08601	46.9
109.06519	29.4
111.08080	6.7
119.08588	21.6
121.10159	29.3
121.47485	5.0
131.08559	41.5
133.10129	34.8
135.08049	45.4
135.11650	7.7
137.09650	10.9
145.06461	6.5
145.10143	11.9
149.09636	9.1
149.13234	7.7
154.94206	6.7
158.21086	5.3
159.11726	20.7
163.07588	26.2
165.10385	7.4
172.70503	5.3
173.13237	36.6
175.11194	23.8
177.12831	7.8
178.09264	10.3
183.11725	5.4
187.09727	10.1
190.13544	11.2
191.14297	79.7
196.10379	7.4
201.12708	8.4
203.14351	22.0
219.10027	6.7
219.13826	45.4
219.15376	17.5
219.17372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1342
Annotation	Ser Leu
Peak:m/z	Relative Intensity
51.04536	0.5
53.16357	0.4
57.34935	0.5
60.04535	100.0
69.23268	0.5
70.02956	0.7
72.08176	0.7
78.44402	0.5
80.63979	0.5
86.09713	70.4
87.05593	3.7
114.00861	0.6
128.10706	4.1
132.10211	66.1
158.11848	0.6
159.12062	0.7
173.12856	36.7
201.12318	5.1
219.13327	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	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.39458	1.1
64.64515	1.0
71.99190	1.3
72.59505	1.2
78.54310	1.0
85.02889	1.3
89.11591	1.4
91.05484	2.0
92.17896	2.4
107.08573	1.4
115.05392	1.8
116.06212	1.7
117.06999	2.2
129.07008	26.2
131.04898	6.0
131.08571	35.2
133.10132	1.6
135.08031	2.0
137.05951	1.2
138.48579	1.1
141.07002	21.4
143.08623	1.9
144.05701	5.5
145.06447	3.0
157.06474	23.0
158.07222	11.9
159.08046	28.8
159.11687	2.1
160.05231	5.3
160.07669	1.5
161.09595	2.5
169.06479	12.4
170.07266	6.7
171.08072	1.5
173.13565	1.9
174.06746	60.7
175.07513	12.8
186.06770	16.0
187.07535	1.5
188.08255	2.4
189.09106	100.0
191.10638	5.5
201.05501	1.7
201.09100	41.4
219.10153	96.9
219.14796	6.6
219.17282	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	219.1018
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05536	1.7
57.03422	0.7
57.07079	0.8
58.93815	0.5
60.36134	0.4
62.75589	0.4
66.24209	0.4
66.68522	0.4
67.05515	2.6
69.03423	0.7
69.07063	4.3
71.04997	0.6
72.08176	0.9
74.06108	0.5
79.05505	2.1
81.07066	5.8
83.05009	0.7
83.08593	0.5
85.02914	2.0
85.06550	0.6
86.09707	0.6
88.11262	0.8
88.49102	0.4
91.05476	3.8
93.07043	4.6
95.04969	0.8
95.08595	4.8
97.02934	0.6
97.06528	0.9
98.97604	1.6
105.07030	7.4
107.08593	11.3
109.06476	0.6
109.10123	3.4
115.05462	3.4
116.06229	0.9
116.98601	0.5
117.07018	4.8
119.08591	6.1
120.08107	0.7
121.06495	2.1
121.10133	3.3
123.08052	0.8
123.11746	0.7
128.06213	2.9
129.07004	21.4
130.07787	0.7
131.04909	4.2
131.08566	33.1
133.06464	0.6
133.10133	3.5
135.08060	19.5
135.11697	7.2
137.05963	2.8
137.09647	0.8
141.06999	21.3
143.04906	0.8
143.07335	3.7
143.08574	2.9
144.05676	3.4
144.08102	3.5
145.06473	3.8
145.10135	15.1
146.07257	1.0
147.08089	0.9
147.11642	1.6
148.07521	1.6
149.09625	1.7
149.13248	0.8
151.07594	0.5
155.08563	0.5
157.06490	18.3
157.10121	2.1
158.07292	9.3
158.09624	6.6
158.10817	0.9
159.04460	0.6
159.08054	28.2
159.11690	25.8
160.05202	3.4
161.05847	0.7
161.09557	3.4
161.13251	4.5
163.07518	2.6
163.11191	2.4
168.05655	0.6
169.06465	10.8
169.07674	0.8
170.07265	4.9
171.08086	1.5
172.11191	0.7
173.06012	2.2
173.09642	2.7
173.13220	5.1
174.06757	48.3
175.07544	14.1
175.11195	0.9
175.14824	0.7
176.10709	26.6
177.05486	0.6
177.09145	0.6
177.12721	0.7
183.11617	0.7
186.06758	12.0
187.07533	2.1
188.08284	2.7
188.10794	0.5
189.09103	89.4
191.06947	0.8
191.08989	0.7
191.10641	6.5
191.14317	2.3
191.17924	0.9
201.09099	38.7
201.12793	2.6
201.16399	14.9
219.10155	100.0
219.13783	9.7
219.17351	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.43192	0.6
57.29737	0.6
59.01330	0.6
63.10336	0.7
64.35780	0.6
67.05495	1.3
72.08140	2.6
81.07044	2.9
91.05477	5.7
92.17827	0.8
93.07059	0.9
95.08585	1.8
103.05463	1.3
105.07024	4.9
107.08601	1.7
115.05466	1.6
117.07022	1.7
119.08572	5.2
121.10157	1.0
128.06207	1.8
129.07005	18.3
131.04932	27.4
131.08580	31.2
133.10120	3.8
135.11688	1.3
137.06000	1.5
141.06998	23.0
143.08557	1.7
144.05684	3.5
145.06430	1.7
145.10147	6.1
146.07249	0.8
147.11678	1.8
148.05138	0.7
157.06502	16.7
157.10097	0.7
158.07269	8.9
159.08049	26.8
159.11710	10.1
160.05217	5.0
161.09601	3.3
161.13272	7.2
163.07542	1.2
165.34293	0.7
169.06471	13.6
169.07756	1.1
170.07259	4.7
171.07962	0.8
173.09550	0.9
173.13228	3.1
174.06770	53.7
175.07523	10.3
186.06747	13.8
187.07533	1.7
188.08313	3.3
189.09113	94.3
191.06981	1.4
191.10664	6.2
201.09117	38.8
201.16335	5.7
202.12276	9.3
219.10161	100.0
219.14925	3.9
219.17427	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	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05497	2.4
57.07061	2.5
60.06718	1.3
64.23391	1.4
67.05486	6.6
69.07065	2.8
77.37290	1.6
79.05481	2.3
81.07050	17.0
83.08612	1.7
91.05456	8.9
93.07055	11.0
95.04940	1.6
95.08594	13.2
97.06562	1.8
98.23965	1.6
105.07023	14.0
107.08591	15.2
109.06494	2.4
109.10181	14.2
117.07000	7.0
119.08562	14.2
121.06497	3.1
121.10151	15.5
123.08021	2.4
123.11706	2.3
129.07010	18.1
130.07722	1.7
131.04938	12.8
131.08577	37.9
133.10101	11.7
135.08052	2.9
135.11684	8.1
141.07027	19.2
143.08569	2.0
145.06470	9.0
145.10115	24.7
147.11688	6.3
149.05907	2.4
149.09641	2.8
149.13252	2.8
157.06496	19.2
158.07263	8.6
159.08063	22.7
159.11703	21.6
160.05164	3.0
161.07903	2.8
161.09615	6.1
161.13231	11.2
163.07510	6.3
163.11153	6.8
163.14737	1.6
168.99911	1.6
169.06456	12.6
170.07309	5.5
173.05846	1.9
173.09720	2.2
173.13254	14.9
174.06767	40.8
174.09048	3.9
175.07526	10.4
175.14758	2.8
186.06708	10.8
187.07559	2.3
187.09447	11.3
188.10461	1.7
189.09109	92.7
190.89517	1.7
191.10646	8.0
191.14293	2.0
191.17867	2.5
201.09065	34.3
201.12744	6.7
201.16400	36.4
202.12225	3.4
219.06549	7.7
219.10135	100.0
219.13560	5.7
219.15039	10.7
219.17383	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	219.1018
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.09318	0.9
55.05508	2.8
67.05499	2.3
69.07053	2.2
69.41535	1.1
73.95888	1.0
79.05489	8.7
81.07066	11.4
84.05632	20.9
85.02901	1.6
85.06407	6.1
91.05470	6.6
93.07035	8.2
95.08628	8.1
99.82630	1.2
103.05458	1.2
105.07043	11.8
107.08587	11.0
111.04376	1.2
112.93005	1.1
115.05431	2.1
117.05759	47.2
117.07027	4.6
119.08585	25.4
121.06472	1.6
121.10110	2.9
121.61574	1.0
125.05980	1.6
128.06215	1.7
129.07001	21.3
131.04897	5.7
131.08589	37.8
133.10136	10.2
135.08035	2.3
137.05972	2.0
141.06989	20.6
143.04962	1.4
143.08578	1.5
144.05731	2.0
144.09256	2.6
145.06477	6.3
145.10136	14.4
147.11719	2.6
149.05988	1.7
151.10985	1.1
157.06496	18.8
158.07271	13.8
159.08066	31.8
159.11664	16.1
160.05127	1.3
160.07576	5.4
161.07913	12.4
161.09453	2.7
163.07494	8.2
163.11177	1.4
169.06500	15.2
170.07202	5.8
170.09668	1.2
173.05989	2.6
173.09575	4.1
173.13255	36.9
174.06769	53.5
175.07564	12.2
175.14796	2.2
177.09201	1.9
186.06738	14.0
186.09123	5.9
187.09492	40.3
188.08371	2.3
188.10213	7.7
189.09113	100.0
191.06953	1.9
191.10625	6.0
201.05373	2.3
201.09099	39.2
201.12691	5.6
201.16347	4.5
203.11302	1.3
219.08301	3.4
219.10132	99.3
219.13864	20.0
219.17186	9.2
222.12321	1.3
238.11797	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	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04324	6.4
53.37794	7.2
74.06055	9.3
75.40446	7.6
84.08152	100.0
90.09229	11.3
105.03120	8.1
129.18469	8.1
130.08658	39.7
133.56683	7.3
144.90775	8.5
211.70653	8.0
219.02660	13.0
219.15121	12.7
219.17113	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69615	0.6
54.24480	0.5
55.01883	3.1
58.06615	0.6
60.04533	3.4
61.02932	16.9
67.28621	0.6
69.03434	0.9
69.07069	0.7
70.06583	1.7
71.01360	25.7
72.08150	3.7
75.04487	47.2
75.04913	1.6
84.08143	1.6
85.02903	1.7
86.09707	4.8
87.04475	17.1
89.02390	8.8
93.34979	0.9
98.97611	0.9
101.06009	1.2
103.03952	62.3
110.07162	1.1
115.37516	0.8
116.07601	0.7
120.08125	3.1
123.08672	2.7
123.58783	1.8
130.05046	1.1
130.06534	15.6
131.03415	12.9
132.08061	1.0
132.10226	2.9
144.08110	9.9
146.06027	3.2
148.07530	1.4
158.06018	8.7
158.09665	1.8
159.02893	100.0
159.11676	0.9
163.03957	1.3
166.30627	0.8
168.15570	0.8
173.10750	4.8
173.13155	0.8
174.05521	8.0
175.07603	0.7
176.07068	69.6
178.04996	4.5
181.47845	0.7
186.11485	0.9
187.02371	15.4
201.13919	3.3
202.08627	1.7
219.04999	13.4
219.07109	1.3
219.07977	1.2
219.11592	11.9
219.14919	14.2
219.17247	2.1
234.12399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68146	0.2
51.91420	0.3
57.07087	3.1
58.06604	0.3
59.51996	0.2
60.56902	0.2
62.06108	0.2
63.67385	0.3
69.69118	0.3
70.06598	5.3
71.08647	2.4
83.36700	0.3
85.44190	0.2
88.07634	12.4
98.43176	0.3
102.09168	3.5
106.08670	7.6
120.53646	0.3
124.39832	0.3
160.07587	2.1
174.18547	1.1
186.09183	5.0
187.09874	0.7
200.20100	9.4
200.56993	0.3
218.21149	100.0
235.59981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	2.9
57.12154	0.4
66.62505	0.5
70.06598	6.0
71.08623	2.1
75.17449	0.4
85.23251	0.5
86.05713	0.4
88.07632	10.6
92.17754	0.5
101.14079	0.4
102.09208	4.5
106.08672	9.8
118.22348	0.4
118.92857	0.5
145.91847	0.5
160.07564	2.0
162.09920	0.5
174.18565	0.9
178.56078	0.4
186.09151	4.1
187.09859	0.5
200.20100	8.8
211.17274	0.5
218.08900	1.0
218.21153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	3.8
58.06609	3.9
61.35173	0.2
64.11858	0.2
69.07073	0.4
70.06593	0.3
70.14896	0.2
71.08641	2.9
78.82517	0.2
81.00127	0.4
88.07658	0.4
101.23093	0.3
106.08688	1.0
135.92644	0.3
153.93704	0.3
156.17482	100.0
160.07565	3.7
186.09158	8.7
187.09966	1.4
188.89531	0.2
197.01176	0.2
200.20158	0.3
217.13345	0.4
218.08925	0.3
218.21155	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84695	0.3
51.33654	0.2
57.07082	2.9
70.06598	5.0
71.08636	2.8
88.07633	12.9
96.59582	0.3
102.09184	4.3
106.08673	9.1
152.27582	0.3
160.07587	0.4
174.18607	1.5
186.09140	1.6
200.20085	9.2
218.21149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98827	0.7
58.06595	1.6
88.11277	1.1
105.07015	1.0
121.46419	0.7
123.97010	0.7
135.92610	1.6
149.21118	0.7
160.07590	41.3
170.09712	1.4
174.09120	1.7
186.09151	100.0
187.09933	20.3
202.11015	1.1
203.11591	1.3
217.13284	5.3
218.12070	1.3
218.13913	11.4
218.21170	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	218.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18160	0.4
57.07080	3.3
58.06605	4.2
71.08638	4.2
81.78707	0.4
102.09160	0.6
104.92854	0.6
106.08649	0.7
108.72633	0.5
135.92609	1.2
153.93715	0.6
156.17476	100.0
160.07568	3.5
186.09146	8.0
187.09935	1.9
218.21149	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41299	0.4
58.06604	1.3
62.67111	0.4
73.77950	0.5
73.98965	0.5
76.89148	0.5
78.76211	0.5
100.29926	0.5
160.07579	41.7
165.35667	0.5
170.09657	1.1
174.09128	2.6
186.09149	100.0
187.09927	17.7
187.11523	0.9
198.26068	0.6
202.11118	0.8
203.11562	1.2
217.13385	4.8
218.14073	11.5
218.15916	0.8
218.21219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53498	0.4
53.75451	0.4
58.06600	1.1
62.41865	0.4
67.95202	0.4
68.33880	0.5
73.71615	0.5
74.82235	0.4
80.66044	0.5
81.82764	0.5
91.41346	0.5
160.07587	39.6
161.08173	0.5
162.09914	0.5
170.09622	1.9
174.09134	2.0
186.09154	100.0
187.08266	0.7
187.09940	19.2
200.07889	0.8
202.11017	0.7
203.11540	2.3
217.13396	5.2
218.08926	1.1
218.14096	13.2
218.16066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	2.2
59.56301	0.3
108.60164	0.3
125.94388	0.3
147.06731	0.4
160.07573	40.8
170.09657	1.9
174.09146	2.9
175.09482	0.5
186.09145	100.0
187.09923	17.4
202.10933	2.5
203.11432	2.9
217.13351	5.1
218.14110	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	218.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	2.1
58.88107	0.4
67.43346	0.4
68.80593	0.5
69.70663	0.4
69.84902	0.4
71.05773	0.4
73.52097	0.4
88.09670	0.4
92.18431	0.5
126.75764	0.5
134.08942	0.6
159.06804	0.8
159.28215	0.4
160.07584	38.8
170.09633	2.3
174.09119	2.1
186.09157	100.0
187.09952	17.0
202.11087	0.8
202.46227	0.5
203.11513	0.8
217.13376	5.3
218.14107	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	218.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31193	0.2
52.70896	0.2
57.29699	0.2
58.06590	1.4
63.15388	0.2
63.90383	0.2
65.92435	0.2
69.51810	0.2
72.92406	0.3
79.46885	0.2
91.46585	0.2
121.63094	0.2
147.06792	0.4
159.06755	0.3
160.07568	38.6
161.08339	0.3
170.09650	1.5
174.07851	0.2
174.09097	2.2
175.09674	0.3
186.09140	100.0
187.09921	17.4
188.10840	0.3
202.11023	1.3
202.21918	0.2
203.11433	2.0
217.13347	4.4
218.14093	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	218.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	1.4
63.10117	0.3
70.06602	0.3
90.93881	0.3
92.17879	0.4
147.06779	0.4
159.06758	0.4
160.07578	43.8
161.08224	0.5
162.09076	0.3
170.09682	2.1
174.09180	2.2
186.09149	100.0
187.09929	17.3
202.10939	1.9
203.11415	2.5
217.13330	4.9
218.14113	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	218.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
62.72882	0.3
71.08641	8.1
84.24139	0.3
85.02912	30.0
88.11275	100.0
98.06082	0.8
98.97562	0.4
116.07128	0.5
122.16280	0.4
130.05017	0.5
131.03412	1.5
149.45992	0.4
160.07582	0.8
172.13329	72.7
186.09138	2.9
187.09935	0.4
200.12805	1.7
218.13844	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	218.1389
Annotation	O-propanoyl-carnitine
Peak:m/z	Relative Intensity
51.06136	0.3
56.11708	0.3
56.96587	0.5
57.03459	0.6
59.49721	0.3
62.52396	0.3
63.37326	0.3
70.06595	2.0
71.08638	10.4
75.53432	0.3
83.33354	0.3
84.04517	1.8
85.02909	35.2
86.09706	2.0
88.11273	100.0
98.97613	0.4
102.05544	0.8
105.07005	0.4
130.04999	1.7
131.03377	1.5
152.06528	0.8
160.07574	3.2
161.07108	2.7
166.48773	0.4
170.07567	0.6
172.02863	0.8
172.13321	81.6
179.96036	0.4
186.06046	0.8
186.09166	5.3
187.09914	0.4
190.79884	0.4
194.11880	0.7
195.06543	2.2
200.12805	1.8
204.49481	0.5
218.13853	19.5
218.15900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75985	0.4
52.64448	0.4
55.05524	1.0
56.05046	10.8
56.73488	0.4
57.04539	0.4
57.07084	10.8
62.25900	0.4
67.05515	3.3
68.66021	0.4
69.07069	4.5
70.06596	4.3
72.04549	0.4
72.08160	1.1
74.02440	1.1
84.08154	0.8
85.06543	0.9
86.06052	0.5
88.03995	8.0
91.05483	2.0
93.07049	1.9
95.08588	2.7
98.97588	1.1
109.10168	16.7
111.11681	1.0
116.03442	2.9
116.98610	0.5
119.04946	2.2
119.08605	2.8
134.04491	11.2
134.05408	0.8
136.11221	2.5
136.96495	0.4
137.09647	6.0
147.04420	52.7
154.12274	100.0
155.10730	0.8
172.13324	84.3
173.11897	0.5
182.11755	2.0
192.06566	2.6
200.12816	8.2
218.08426	0.9
218.11786	25.5
218.13910	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1389
Annotation	O-propanoyl-carnitine
Peak:m/z	Relative Intensity
55.05498	0.8
56.05044	0.4
57.03446	1.7
60.04521	0.5
60.08171	11.0
69.07062	0.8
70.06597	31.8
72.08150	2.2
73.08502	0.9
79.48611	0.5
84.08144	6.9
85.02910	100.0
86.06084	4.9
86.09716	0.9
87.04468	7.8
88.03989	0.6
88.07619	0.8
97.06531	5.2
98.06076	1.8
98.97599	2.3
99.06377	0.8
99.08123	1.0
100.07618	0.7
102.05595	0.4
104.03442	0.7
104.07136	2.2
112.07605	0.7
114.09177	4.2
116.03470	0.9
116.10686	0.4
116.98656	1.0
128.07082	2.3
129.10229	0.7
130.08629	1.5
138.09177	0.7
140.07114	0.5
144.10223	2.5
146.08128	5.7
156.10214	7.1
157.10905	0.7
157.98985	0.5
158.08121	3.4
158.10060	2.2
159.06549	10.7
159.08488	8.2
172.09698	0.6
174.11282	6.6
182.11870	0.8
190.05081	0.6
195.45380	0.4
200.00150	1.0
200.12830	16.3
201.10625	1.0
218.01108	0.7
218.08296	0.7
218.10211	1.1
218.13847	29.3
218.17281	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	218.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70583	0.5
55.05511	1.1
56.05048	5.6
57.07085	53.3
67.05491	2.5
69.07057	3.1
70.02963	0.6
70.06594	4.2
72.08147	2.1
74.02052	0.7
74.02449	19.6
81.98091	0.5
84.49191	0.5
85.06065	0.9
85.06549	16.0
88.03999	43.9
91.05470	3.3
93.07038	0.9
95.08593	2.2
98.97614	1.1
109.10162	12.1
111.11714	1.2
111.15070	0.5
111.24992	0.5
112.77750	0.4
116.03450	23.7
119.04935	4.3
119.08578	1.3
123.08598	0.6
126.12885	0.7
134.04497	57.3
136.11217	2.0
137.09627	3.0
147.04414	100.0
154.12268	58.1
158.60207	0.5
164.07091	0.9
164.65533	0.6
168.09282	0.6
172.13326	35.9
180.91214	0.6
192.06541	0.9
200.09329	0.7
200.12801	2.4
218.08295	1.2
218.11807	24.6
218.13812	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	218.1177
Annotation	Securinine
Peak:m/z	Relative Intensity
52.01393	0.5
52.82417	0.5
57.06826	0.8
57.07081	13.3
61.95110	0.6
63.54155	0.5
70.06585	1.0
72.08151	1.3
74.02456	5.5
85.06538	6.5
88.03999	13.8
91.05486	1.0
98.97582	2.5
99.08325	0.6
108.02551	0.6
116.03473	6.1
116.98595	1.1
119.04940	3.4
123.90913	0.6
134.04492	23.5
147.04413	100.0
160.07579	2.7
164.07025	0.9
176.07071	0.6
177.05412	1.1
186.09119	7.5
187.09897	0.7
218.11774	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	218.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70364	0.4
55.05528	0.6
57.07082	8.7
58.32333	0.3
59.48209	0.3
72.08157	0.4
74.02453	3.3
85.06527	3.7
88.03989	8.5
91.05507	0.6
103.46147	0.4
104.63223	0.4
116.03447	3.6
116.24119	0.4
119.04963	3.8
134.04495	13.9
147.04414	100.0
218.11768	50.4
218.15192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1178
Annotation	Securinine
Peak:m/z	Relative Intensity
55.05520	0.5
58.49167	0.3
72.08138	0.8
84.77261	0.3
91.05468	1.5
98.97617	0.5
119.04945	4.2
123.08651	2.3
126.60114	0.4
134.99594	0.4
147.04410	100.0
164.07114	0.6
193.92558	0.4
218.11758	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1027
Annotation	CJ 15801
Peak:m/z	Relative Intensity
50.11149	0.3
55.70081	0.3
56.05040	0.7
56.33778	0.4
57.07086	59.0
57.78366	0.4
59.44803	0.4
59.87204	0.4
67.05507	0.7
67.90319	0.4
69.07079	0.9
70.02945	1.8
72.08134	0.6
74.02448	18.6
85.06549	24.6
87.89606	0.4
88.03996	47.2
88.45936	0.4
95.08622	0.5
102.09190	0.4
109.10162	2.2
111.11671	0.6
116.03455	26.2
119.04940	0.5
119.08566	0.4
134.04494	100.0
147.04417	20.0
147.05286	0.5
154.12271	13.9
164.05562	0.5
172.13327	10.3
200.09184	3.1
200.12816	0.8
218.10027	0.8
218.11850	9.1
218.13780	1.0
221.77367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16959	0.3
63.53979	0.3
67.85350	0.3
70.42228	0.3
72.87776	0.3
92.17828	0.9
95.68192	0.3
124.33290	0.3
130.06528	94.1
132.08105	2.4
158.06009	100.0
172.07532	3.7
174.09122	0.7
200.07053	8.1
218.08096	3.5
224.75026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61568	4.0
56.12749	4.8
57.16050	4.5
72.83300	4.3
101.97514	27.7
110.00358	5.8
131.04933	5.9
132.81950	5.2
139.04265	100.0
149.05750	5.1
162.09891	5.5
186.09146	39.0
187.00995	6.2
187.09816	5.6
204.50546	5.3
218.02823	57.9
218.13734	37.7
218.16121	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	217.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94531	0.4
51.19941	0.4
53.31528	0.6
55.05514	1.8
55.62197	0.4
56.66607	0.5
69.03406	0.8
70.06566	1.0
71.07957	0.5
72.08168	11.8
79.65658	0.5
87.73956	0.5
91.74268	0.5
97.07648	3.2
98.06057	11.7
113.05946	0.5
113.10770	5.2
114.09179	7.4
114.10291	12.4
115.08693	11.7
116.07085	3.5
119.01900	2.2
131.12999	0.6
132.18370	0.6
132.95799	1.0
134.67632	0.5
139.12308	9.5
140.08214	6.0
140.10709	8.9
140.11772	1.7
144.95818	1.2
145.03462	2.2
152.00583	0.5
156.11322	10.4
157.09691	0.8
157.13350	5.1
158.11760	68.5
172.30336	0.5
173.13962	3.4
175.14378	3.8
182.12888	35.7
183.11307	2.6
186.96942	0.8
199.15581	2.7
200.13878	6.5
217.16595	100.0
220.30359	0.6
239.86752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.159
Annotation	(+)-Dehydrosolanascone
Peak:m/z	Relative Intensity
53.44893	2.6
54.38415	2.5
55.05498	3.7
57.07069	3.2
69.07065	15.4
71.93873	3.3
93.07033	7.3
95.04993	3.8
95.08604	5.0
105.07025	5.6
107.08575	13.1
109.06590	3.5
109.10213	4.0
119.08570	21.5
121.10149	15.0
129.06979	4.3
131.08574	5.2
133.10104	13.3
135.11642	3.4
143.08556	6.2
145.10101	5.2
156.05716	22.7
157.06497	3.4
157.10110	14.2
159.11723	6.0
161.09639	7.5
163.51939	3.1
173.13258	11.0
174.06816	4.0
175.11237	6.3
175.14890	4.4
184.05136	4.0
189.09108	100.0
189.16426	5.6
199.14848	14.0
202.06244	4.6
217.08594	91.0
217.10411	12.4
217.15825	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	217.1589
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
52.25473	0.7
52.83835	0.6
54.10601	0.6
55.05506	4.3
57.03436	1.1
57.07073	1.3
63.08578	0.6
67.05502	3.4
69.03426	1.1
69.07070	8.5
79.05476	4.9
81.07072	16.1
83.04967	3.1
83.08609	3.3
83.71822	0.7
87.67004	0.7
91.05469	8.5
93.07048	8.2
95.04978	1.4
95.08607	10.5
97.06519	1.5
97.73033	0.7
105.06382	1.3
105.07039	25.5
107.04903	0.9
107.08587	13.0
109.06491	1.3
109.10170	9.3
117.07004	3.9
119.08585	35.5
121.06533	5.0
121.10138	12.7
123.08051	3.6
128.06201	2.8
129.07010	5.4
131.08574	17.9
132.89053	0.8
133.06502	1.4
133.09116	1.5
133.10133	44.5
135.08026	2.5
135.11679	3.3
137.09627	4.7
142.07764	8.3
143.08560	17.2
144.09346	1.6
145.10133	17.5
147.08061	5.4
147.11697	20.6
149.09639	1.2
155.08528	1.0
156.05727	8.2
156.09315	5.2
157.10129	28.3
158.10916	14.0
159.08063	0.8
159.11685	19.3
161.09621	15.2
161.13240	3.6
169.10121	2.6
170.10928	2.8
171.11670	14.6
173.13260	100.0
174.14090	3.7
175.11227	14.1
175.14828	48.0
184.05226	4.6
184.12416	5.7
188.15656	1.0
189.12761	1.1
189.16386	17.9
199.07495	1.0
199.11119	1.2
199.14841	27.2
202.06238	4.2
203.31088	0.7
217.08559	12.5
217.15881	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
51.58125	0.7
53.03937	1.1
53.60299	0.7
55.05523	7.7
57.07066	1.8
65.03940	0.8
65.74242	0.7
67.05494	5.7
69.03408	1.4
69.07071	8.7
71.04975	1.7
72.21176	0.8
74.67949	0.7
76.63725	0.9
79.05510	10.5
80.45663	0.9
81.06609	1.3
81.07066	37.0
83.04984	6.3
83.08604	1.5
91.05483	11.4
93.07042	27.9
95.04961	5.4
95.08065	0.9
95.08611	19.0
97.06503	5.1
103.96719	0.8
105.07034	40.0
107.04939	1.6
107.08595	27.1
109.06498	5.7
109.09608	0.7
109.10174	11.3
111.08034	1.9
115.05474	1.4
117.07009	8.0
119.08583	47.7
121.06496	3.3
121.10133	9.4
123.08080	4.6
128.06186	5.9
128.18144	0.8
129.07005	9.7
131.07091	1.2
131.08571	24.2
133.10133	23.8
135.08055	3.4
135.11682	2.0
136.08824	2.0
137.09624	2.1
142.07800	15.4
143.08568	42.1
144.09315	4.9
145.06526	1.3
145.10130	43.5
147.08075	2.0
147.11697	15.4
149.09615	2.0
155.08585	2.0
156.05673	1.9
156.09302	8.8
157.06537	1.0
157.10127	63.9
158.10883	4.4
159.11687	35.4
161.09587	7.4
161.13251	5.7
169.10132	4.6
170.10915	4.2
171.11682	30.3
173.13277	19.0
175.11168	5.0
175.14813	6.7
184.12480	7.9
186.14098	1.1
187.14833	16.0
188.91066	1.0
189.12788	1.4
189.16431	10.7
199.14815	75.5
201.81566	0.8
202.06303	0.9
208.62582	0.9
217.08472	7.2
217.15869	100.0
224.82626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
51.04139	0.4
53.03950	0.7
53.34501	0.6
55.05522	7.6
56.37902	0.4
57.03423	0.7
57.07065	2.7
67.05511	5.8
69.03433	1.4
69.07082	9.4
71.06319	0.5
77.03898	0.8
79.05500	7.6
81.07067	24.0
83.04976	3.2
83.08621	4.6
85.06545	0.6
91.05482	7.4
91.73938	0.5
93.07047	15.3
95.04962	3.2
95.08606	12.2
97.06514	2.9
103.05428	0.9
103.64999	0.6
105.07037	30.4
107.04931	0.7
107.08601	16.1
109.06537	4.7
109.10160	8.1
111.08089	1.2
116.06159	0.6
117.07026	3.7
119.04927	0.8
119.08589	43.7
121.06489	4.6
121.10146	12.0
123.08068	3.8
125.09626	0.7
125.95774	0.5
128.06192	3.6
129.07001	8.0
131.08569	21.8
133.10133	47.2
135.08058	3.1
135.11661	3.1
136.08894	1.1
137.09639	6.9
138.71732	0.7
142.07777	11.4
143.07469	1.0
143.08568	22.3
144.08267	0.6
144.09286	4.5
145.06444	0.7
145.10132	25.9
146.07245	0.7
147.08060	4.3
147.11694	23.3
149.09607	2.4
155.08586	0.8
156.05762	4.9
156.09331	4.8
157.06540	0.6
157.10133	36.8
158.09622	0.7
158.10910	16.0
159.08058	2.9
159.11687	23.4
161.09627	16.2
161.13258	5.6
162.10416	0.6
169.10123	4.0
170.10922	3.7
171.11676	18.6
172.05176	3.2
173.13260	100.0
174.10384	1.0
174.13945	0.6
175.07608	0.8
175.11217	13.8
175.14815	50.9
184.05147	1.1
184.12465	9.6
187.07523	3.1
187.14816	3.6
189.09067	0.7
189.12744	3.7
189.16374	17.4
199.07568	3.0
199.11140	0.6
199.14824	38.2
202.06252	3.5
217.08443	12.3
217.12355	2.9
217.15877	88.0
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
52.81065	0.2
56.05048	1.3
58.22243	0.2
59.18140	0.2
71.08638	18.5
72.17134	0.2
84.04512	47.0
85.02921	1.4
88.11275	100.0
98.06050	0.4
102.05540	2.1
128.43063	0.2
130.05009	20.3
144.08084	0.3
153.13960	0.3
154.12206	0.3
171.14931	16.3
172.13336	1.1
199.14470	0.4
200.12827	77.3
217.15472	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	217.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.3
71.08646	28.4
73.73360	1.0
84.04517	74.4
85.02894	1.8
88.11281	100.0
89.02406	1.2
102.05583	4.0
126.82399	1.3
130.05020	49.4
144.08095	6.4
171.14952	19.3
200.12842	88.8
217.15504	23.6
239.12317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
56.05029	0.8
58.07235	0.5
71.08631	16.3
72.08151	6.9
74.02416	0.5
74.54141	0.5
74.68031	0.7
84.04508	48.0
85.02906	1.0
88.11271	100.0
98.06030	0.8
102.05540	2.4
129.56555	2.2
130.05002	21.4
131.07100	14.8
138.07907	4.4
140.73837	0.5
144.08095	6.9
147.26759	0.6
158.08897	6.5
166.60193	0.6
171.14912	16.8
172.13383	0.8
187.61296	22.0
196.12708	0.9
200.12816	77.3
202.08687	0.8
208.62395	1.2
217.08562	0.9
217.13623	6.6
217.15503	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	217.1339
Annotation	6-Methoxy-2-methyl-1,2,3,4-tetrahydro-beta-carboline
Peak:m/z	Relative Intensity
58.74450	0.9
69.07081	1.2
70.06596	4.2
71.99442	1.0
73.27422	1.1
77.76811	1.1
86.09711	5.6
112.15874	1.0
136.07610	2.4
144.08112	2.3
146.05945	1.5
157.10141	1.3
160.07584	12.6
172.07616	5.7
173.08487	1.1
174.06319	1.5
174.09123	28.4
186.09111	2.4
201.10324	2.0
202.11012	100.0
217.13379	98.1
226.29330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87116	1.1
54.98740	1.3
70.06593	5.6
81.07066	2.8
83.05000	1.7
95.08606	3.2
105.07044	1.8
119.08526	1.7
129.07104	1.6
131.08519	1.8
133.10143	2.8
143.08627	1.8
145.10185	1.9
145.96169	1.7
146.06032	1.9
156.05696	12.7
157.10098	2.6
160.07626	10.8
161.09616	2.5
167.06395	1.3
172.05142	1.8
173.08269	1.8
174.06821	1.9
174.09149	20.8
184.05202	1.9
186.09148	1.8
187.08809	2.0
199.15025	6.3
201.10112	1.8
202.06239	6.2
202.11018	100.0
217.08591	25.8
217.13397	95.7
217.15814	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	217.1336
Annotation	6-Methoxy-2-methyl-1,2,3,4-tetrahydro-beta-carboline
Peak:m/z	Relative Intensity
52.02409	0.7
55.14153	0.6
56.50766	0.6
70.06597	1.6
71.27992	0.7
77.29305	0.8
83.98392	0.6
95.08617	0.8
105.07048	0.9
120.12993	0.6
135.11752	0.9
146.05972	1.7
156.05655	5.9
159.06752	0.9
160.07602	12.0
171.11754	1.1
172.07565	0.9
173.08328	1.2
174.09137	20.9
184.05112	1.4
186.09175	4.1
187.08612	2.6
188.10738	0.8
191.60049	0.6
199.14760	0.8
201.10181	1.1
202.06248	3.7
202.11026	100.0
217.08481	11.5
217.13377	79.3
217.15706	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	217.1296
Annotation	N-Acetyl-L-arginine
Peak:m/z	Relative Intensity
54.40395	0.7
55.05499	3.7
60.05648	1.4
70.06605	0.8
70.88287	0.7
72.07799	1.2
72.08157	19.8
72.32766	0.7
73.06534	3.5
88.03997	1.1
90.60113	0.8
95.41521	0.7
97.07616	1.6
98.05438	1.2
98.06056	27.0
102.89275	0.7
104.03481	11.1
110.04765	1.8
114.10260	1.3
115.08674	3.7
116.02647	1.7
116.03448	30.8
139.30791	0.9
140.08167	3.8
150.30130	0.8
157.09705	28.2
157.10855	9.4
158.08118	100.0
158.11703	1.7
175.10770	8.4
195.33449	0.8
200.10326	16.5
201.34111	1.0
201.69972	1.0
217.12956	79.6
217.16544	3.5
230.60866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.1
60.05635	1.3
65.53804	0.6
70.06585	0.9
72.08157	55.5
73.06539	2.5
88.04002	0.9
89.34097	0.5
97.07643	2.1
98.05450	0.8
98.06060	24.4
104.02853	0.9
104.03481	11.4
114.10276	1.1
114.99156	0.6
115.08682	3.7
116.02654	1.2
116.03454	32.8
136.60710	0.7
140.08173	3.7
157.09711	25.9
157.10873	10.9
158.08121	100.0
168.07654	0.7
175.10794	6.6
200.10307	13.0
217.12962	73.5
217.15065	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	217.1227
Annotation	NAPROXOL
Peak:m/z	Relative Intensity
54.26334	0.4
55.05513	0.4
60.11564	0.4
73.58512	0.5
76.10549	0.5
85.96345	0.4
91.17545	0.5
91.18113	0.5
93.06992	0.5
95.33040	0.4
104.79346	0.4
105.06978	0.5
107.08661	0.5
111.04410	0.4
117.06979	0.6
119.02870	0.4
125.03901	0.5
128.06210	0.7
129.06979	1.8
130.79889	0.5
131.08574	0.6
133.10161	0.6
135.08006	0.9
141.06992	0.7
142.07771	0.6
143.08566	1.0
145.06389	0.6
147.08018	1.0
154.07735	2.2
157.06418	0.5
157.10133	3.0
159.08049	2.9
161.09596	0.9
169.10091	3.7
170.07277	0.8
171.07951	0.6
172.08789	0.6
173.05991	0.7
173.09618	0.8
174.06697	2.3
174.09109	0.6
174.10446	0.6
175.07539	2.1
175.11188	2.2
184.08803	3.5
185.09619	0.7
187.07532	7.2
187.11266	0.6
188.08337	5.7
189.09108	4.2
189.12732	5.2
199.11186	21.2
202.09784	7.3
217.08704	2.8
217.12233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1226
Annotation	NAPROXOL
Peak:m/z	Relative Intensity
51.79479	0.4
62.06089	0.5
69.07065	0.5
77.68438	0.5
78.97475	0.5
88.40320	0.5
92.18438	0.5
105.07013	0.7
107.08591	0.7
108.53204	0.5
117.06955	0.7
128.06200	0.7
131.08592	1.0
141.07002	0.6
142.07675	0.6
143.08528	1.2
144.31921	0.5
145.06471	0.9
147.08043	0.8
147.11708	0.6
148.44157	0.5
154.07742	2.4
156.87001	0.5
157.10081	3.3
158.07301	0.6
159.08051	2.7
161.09804	0.6
168.09300	0.7
169.10144	4.4
170.07254	0.7
171.08028	0.9
173.09602	0.9
174.06763	0.8
175.07582	1.2
175.11160	1.0
184.08832	3.2
187.07544	6.9
188.08345	6.6
189.09154	3.9
189.12752	4.5
199.11191	20.0
202.09596	5.7
217.12236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27448	0.6
53.64875	0.7
55.01884	11.6
55.05522	12.6
57.03441	3.2
58.85646	0.7
59.05008	0.8
61.02928	1.6
63.98195	0.7
63.98521	0.9
67.05514	100.0
69.03433	7.3
69.07056	3.4
72.08179	0.9
79.05501	27.4
81.07066	27.1
83.04990	4.2
83.08620	3.3
83.20035	0.8
84.04488	1.4
87.04474	24.8
88.11273	4.1
91.05480	4.6
93.07049	40.0
95.08625	1.1
97.10178	20.3
99.08072	1.0
101.06035	1.8
105.06390	0.8
105.07029	1.9
107.04981	0.9
107.08607	58.7
109.06545	1.4
109.10165	73.2
111.04435	6.1
111.08079	8.8
115.03934	11.2
117.07011	7.2
125.09638	39.2
131.07170	0.9
135.08057	32.0
143.10658	1.2
149.88048	0.9
153.09113	39.0
156.05710	5.8
159.11632	0.9
171.10210	8.4
173.13123	0.9
187.61322	2.0
200.12860	1.4
202.06270	3.2
202.11024	1.9
217.08595	10.4
217.10435	1.2
217.13420	1.8
217.15866	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0975
Annotation	Lycoperodine 1
Peak:m/z	Relative Intensity
51.27404	0.0
53.80078	0.0
63.81482	0.0
67.05476	0.0
69.07032	0.1
72.08142	0.2
73.15716	0.0
74.02443	5.0
77.03890	0.1
81.45987	0.0
84.47133	0.0
86.02436	0.5
86.09697	0.4
91.05444	0.1
93.07018	0.1
95.04936	0.1
99.16190	0.0
103.05426	0.0
105.07051	0.1
109.10163	0.1
112.11189	0.1
115.05433	0.1
117.05705	0.0
117.07002	0.2
119.08546	0.1
129.06981	0.4
130.06509	1.2
131.08493	0.0
132.07199	0.1
132.08095	1.6
133.10237	0.1
143.07339	0.7
144.08086	100.0
145.07611	0.1
146.05974	0.6
146.09644	0.2
147.06355	0.9
154.06505	0.3
155.05980	0.1
156.05740	0.4
156.08083	1.2
157.10146	0.1
159.08130	0.1
160.07625	0.0
170.05988	0.1
171.09166	2.7
171.11592	0.1
173.10728	1.4
173.13185	0.1
184.05180	0.1
188.07054	0.8
189.12752	0.1
200.07137	0.2
202.06395	0.1
202.11029	0.1
217.09804	7.1
217.15909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62499	0.6
58.06599	1.7
59.07393	1.4
60.05654	0.9
65.87057	0.7
67.05502	1.2
69.03424	1.0
70.06596	8.0
71.04989	1.0
72.08158	1.6
72.93809	0.7
73.45345	0.7
79.26883	0.7
81.04555	1.5
82.99828	0.8
84.04514	1.8
84.08136	5.5
85.01404	2.9
85.02900	3.0
85.07668	1.1
95.04973	1.8
98.97617	0.7
101.00885	18.6
101.02590	0.8
103.02453	10.3
104.02543	0.8
111.05553	5.3
113.00970	1.0
113.06006	1.2
114.09174	2.9
115.08719	1.0
116.07091	2.9
119.01921	53.2
121.03465	3.9
125.57916	0.9
126.03938	0.7
126.09144	7.3
127.02402	11.9
127.04182	1.4
129.10251	1.2
129.56256	1.6
130.05016	14.6
130.06450	1.2
130.08644	0.9
130.09633	0.8
131.01895	11.4
132.56815	1.6
132.95831	5.8
133.03467	1.1
137.02974	9.7
138.56825	25.9
139.05055	0.9
139.06914	17.3
142.03461	0.7
144.95802	7.6
145.03465	100.0
147.01384	5.4
149.02992	1.1
150.96808	0.9
153.00342	0.9
153.03987	1.6
154.08624	34.1
155.03662	1.2
156.97485	4.6
157.03479	1.5
157.09746	3.8
158.08084	4.4
158.09285	1.4
159.04985	1.2
161.02922	1.0
162.96953	1.4
163.04518	18.4
166.03491	0.8
168.05128	0.8
171.01369	8.5
171.03165	4.0
171.05008	4.0
171.11246	3.6
173.02957	4.3
174.07657	0.8
174.98543	1.5
175.01021	1.3
175.11951	1.0
186.96851	7.7
189.02443	26.8
189.04019	1.1
191.04160	1.5
193.01979	1.4
194.06639	1.6
198.96939	0.8
198.98631	3.8
199.00876	1.8
199.02597	0.9
199.04399	1.0
199.07161	4.8
200.09132	7.9
202.10977	0.8
207.03444	7.4
216.99937	2.1
217.01627	6.3
217.06958	1.6
217.11903	12.8
235.02966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54113	1.9
57.17207	1.9
70.79366	1.7
85.01415	3.1
96.43488	2.2
101.00893	26.4
103.02453	11.8
113.00853	2.3
114.09140	2.3
119.01929	66.0
121.03503	2.6
127.02413	12.2
131.01909	10.6
137.02954	10.3
145.03473	100.0
146.08075	2.4
156.97491	4.6
163.04504	18.1
171.01411	3.8
171.02905	2.2
173.02995	4.2
189.02446	32.6
198.98593	4.7
207.03511	3.3
216.83734	2.0
216.99701	3.6
217.01938	9.8
217.15524	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	216.1961
Annotation	12-Aminododecanoic acid
Peak:m/z	Relative Intensity
53.03943	0.7
54.83839	0.6
55.01881	2.9
55.05522	39.7
57.03437	3.0
57.07080	22.4
57.16589	0.7
58.06590	1.0
59.05015	1.2
62.59345	0.6
64.10433	0.6
64.20717	0.7
67.05513	12.1
69.06699	1.7
69.07075	51.6
70.06616	0.9
71.04984	7.2
71.08638	9.2
72.04520	1.7
72.08160	2.9
72.51279	0.8
73.06575	1.1
73.47132	0.7
79.05505	8.4
81.07064	44.2
81.07542	1.4
83.04998	6.6
83.08627	90.1
85.06564	8.1
85.10189	5.3
86.06078	8.3
86.09706	1.6
92.17854	0.8
93.07051	19.4
95.08614	31.5
97.06539	24.3
97.10173	55.7
99.08100	4.4
100.07635	16.2
101.06002	1.7
105.07077	1.0
107.08604	37.0
109.10163	15.2
111.08093	22.9
111.11739	4.3
114.09163	8.8
115.07575	4.8
121.00790	3.1
121.10149	35.3
123.11728	9.2
125.09637	21.7
128.10703	4.3
129.09123	1.2
133.92964	3.7
135.11703	11.2
137.13271	1.8
139.01830	3.2
139.11165	9.4
139.14821	3.6
143.10632	1.3
144.02364	1.6
151.94031	6.2
156.17509	3.1
163.14816	100.0
174.95934	0.8
181.15866	50.1
198.18527	26.8
199.16962	4.1
200.09431	0.9
216.17599	1.4
216.19604	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	216.1598
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
57.07077	1.4
57.33692	1.1
60.12376	0.9
63.56702	1.0
64.82742	1.2
70.62620	1.1
78.57156	1.1
86.06065	2.3
86.09714	100.0
121.00786	5.8
128.10727	62.0
133.93033	10.1
139.01813	3.0
144.02348	1.5
151.94006	13.1
162.03517	1.5
170.10324	2.3
170.11769	60.0
174.14903	12.5
175.01625	1.8
199.05281	1.2
216.10208	1.6
216.16000	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	216.1596
Annotation	N-Nonanoylglycine
Peak:m/z	Relative Intensity
55.01852	0.9
55.05518	6.7
67.05499	1.7
67.78067	0.8
69.07054	1.1
73.02898	1.1
75.56524	0.7
79.05498	3.9
81.07076	5.9
83.04964	4.5
83.08630	10.5
83.88770	0.7
85.02905	5.4
85.49363	0.7
93.07048	7.3
95.04959	1.0
95.08602	1.4
97.06517	0.8
99.04446	5.1
101.02372	8.0
107.04979	0.9
107.08575	4.6
111.04446	24.6
119.08575	4.1
119.34359	0.8
121.00780	1.4
121.06469	1.8
121.10149	23.6
122.99233	0.8
132.95811	1.3
135.11659	9.9
136.48126	0.7
145.10092	4.6
146.05978	3.6
146.87987	0.8
153.12733	7.0
163.11185	9.5
170.15404	15.7
180.13731	1.3
181.12259	1.6
198.14897	87.9
216.15950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42627	0.6
57.07089	1.2
60.74350	0.7
67.05499	1.6
91.05426	0.8
95.80111	0.7
96.32884	0.8
102.15501	0.8
117.05746	2.9
121.00800	1.0
132.08099	100.0
169.08867	1.6
170.09654	0.9
183.10472	1.5
198.12802	15.8
206.04066	0.7
207.28413	0.8
216.12138	0.9
216.13860	20.5
227.39342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48743	0.4
57.07100	0.6
57.58813	0.4
58.26182	0.4
62.39700	0.4
67.05532	2.4
77.23283	0.4
79.80436	0.4
87.60942	0.4
92.98712	0.4
114.09192	0.7
117.05765	2.0
128.01662	0.4
131.07281	1.0
132.08098	100.0
144.08095	47.6
158.09532	0.7
162.02647	0.5
168.07985	0.5
169.08839	1.9
170.09534	0.6
170.38399	0.5
173.02289	0.8
174.02658	2.8
174.09865	0.5
183.10423	2.7
196.11179	0.8
198.11064	0.9
198.12775	17.4
199.08098	0.5
210.05890	0.4
216.07440	3.1
216.10503	0.7
216.13821	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	216.1234
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
51.64178	0.3
55.01873	0.7
55.05508	2.8
56.05040	1.0
60.04534	0.7
65.47237	0.4
67.05515	18.9
69.03500	0.4
70.06586	1.7
71.77361	0.4
72.04538	0.4
72.08155	1.7
74.02436	1.7
79.05497	7.6
81.07077	5.1
82.06577	2.5
82.40071	0.4
83.04984	4.7
84.04506	3.6
84.08138	3.7
86.09720	0.7
88.03982	1.6
88.11280	0.6
91.05466	2.0
93.07043	10.6
95.04980	0.7
95.08607	7.4
98.09725	0.6
101.00578	1.8
106.06534	0.5
107.04964	3.7
107.08604	13.4
109.06499	2.6
109.10163	24.7
110.06039	1.0
110.09676	6.0
111.00795	0.8
113.06006	0.8
113.38751	0.5
114.05524	1.8
117.07014	5.9
121.00820	0.9
123.08052	2.2
124.11228	20.3
125.09593	0.4
128.07068	2.0
131.97391	0.5
132.95898	3.2
132.96849	0.6
133.03593	0.5
134.04501	1.0
134.09660	18.2
135.08063	27.0
139.01845	0.6
140.33693	0.5
141.69836	0.4
146.04939	0.8
146.06020	12.8
150.96869	0.9
152.10713	100.0
153.09119	2.0
155.97462	0.7
158.11836	1.6
170.11758	79.3
173.98528	0.6
174.05478	0.5
174.96806	0.9
180.10234	3.4
180.13846	0.9
180.72318	0.5
192.97662	0.5
198.07666	0.6
198.11275	16.5
198.14964	0.7
216.06674	0.6
216.08557	0.6
216.10226	1.4
216.12338	5.4
216.15962	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	216.1233
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
55.01866	0.5
56.05038	0.4
59.15756	0.3
59.27224	0.4
67.05511	19.0
67.66514	0.3
69.76484	0.4
73.20155	0.4
74.02448	1.6
79.05499	9.0
81.07075	3.8
82.06582	2.6
83.08662	0.4
83.20174	0.3
84.04514	2.3
84.08150	2.8
91.05479	1.8
93.07046	11.6
95.08613	8.7
97.10177	0.4
98.09697	0.8
102.59126	0.5
105.07069	0.4
106.06548	0.4
107.04961	3.8
107.08596	13.7
109.06525	1.5
109.10163	28.3
110.06055	2.2
110.09685	6.5
111.04414	0.6
114.05512	0.5
117.07018	5.5
123.08077	2.3
124.11230	22.4
125.09578	0.6
128.07040	0.7
134.09657	17.5
134.10680	0.6
135.08058	27.0
152.10709	100.0
153.09138	2.7
170.11760	77.6
180.10158	3.0
194.81412	0.4
198.11269	15.5
216.12279	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	216.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10443	0.2
53.87922	0.2
54.78580	0.2
55.37476	0.2
59.07010	0.2
59.54376	0.2
60.88229	0.2
67.05525	0.2
83.80928	0.2
84.08133	0.9
86.06071	0.9
86.09695	0.3
87.04492	0.3
104.07117	0.4
106.32104	0.2
111.06612	0.2
113.05991	1.8
128.04955	0.5
132.04472	3.3
132.95860	0.2
138.05496	0.8
140.75905	0.2
144.08115	0.3
146.06020	100.0
152.10733	0.4
156.06567	0.3
157.08440	0.7
170.06027	2.4
170.09633	0.4
170.11769	0.7
170.15366	1.0
171.09999	0.3
172.07587	0.2
174.05511	4.6
174.96852	0.2
188.07051	0.4
198.05496	2.2
198.11250	0.3
216.06522	3.7
216.10161	0.2
216.12334	0.5
216.16019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16940	0.4
56.21035	0.4
57.07077	4.0
60.05647	0.6
60.20514	0.4
72.08163	17.3
85.06552	6.8
92.18470	0.8
97.07655	2.8
102.09198	0.6
102.74176	0.5
114.09157	4.0
114.10293	39.4
115.08695	10.0
132.95895	0.5
155.15425	23.9
156.13841	83.0
156.76506	0.5
159.24811	0.5
173.16492	4.8
198.16017	40.1
215.18674	100.0
215.49268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
57.07076	2.7
60.82043	0.5
69.07066	1.0
70.06587	2.7
72.08159	18.8
79.05479	0.7
79.67271	0.5
81.03419	0.7
81.07040	0.9
84.08121	0.7
85.06548	4.7
86.09693	1.3
96.08095	1.0
97.07668	1.5
102.09164	1.1
102.15712	0.7
105.07019	1.1
109.02865	1.5
109.10129	0.8
111.08097	1.1
114.09160	4.8
114.10287	36.2
115.08689	12.9
119.08549	0.8
123.28194	0.7
131.08589	1.1
131.97404	1.1
132.95845	11.0
141.07008	0.6
142.07784	0.6
143.08638	0.8
149.96158	0.8
150.96886	4.9
155.15433	28.5
155.97433	2.6
156.08060	0.7
156.13838	94.4
159.08075	1.4
169.06467	1.4
169.10100	1.0
173.09613	0.9
173.16469	4.5
173.98489	2.1
187.07547	1.4
191.97133	3.6
191.99602	0.8
197.13292	1.1
198.16011	42.7
215.07040	2.8
215.14395	5.4
215.18669	100.0
215.96179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83131	0.6
52.57418	0.6
55.03012	0.7
57.04513	0.6
57.07076	3.2
58.78606	0.6
60.05646	0.9
70.06599	0.7
72.08153	16.6
82.04198	1.5
84.08123	2.7
85.06533	5.9
87.08005	0.7
97.07610	1.7
98.06050	1.3
102.09171	0.8
109.06521	0.9
114.09140	6.1
114.10286	34.4
115.08694	10.6
115.32089	0.7
117.05745	6.4
119.08558	1.1
126.58502	0.8
131.20827	0.7
131.97406	1.3
132.95825	9.3
144.08058	1.2
149.96094	0.8
149.98396	0.7
150.96886	5.4
155.15427	27.2
155.97447	1.3
156.13838	87.1
164.23911	0.7
169.07533	1.0
170.09636	3.9
173.16490	4.9
173.98448	3.4
186.60451	3.9
191.97145	3.1
198.16017	42.4
199.61206	0.9
209.20609	0.8
215.18660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.0
57.07080	3.8
60.05656	0.9
63.02559	0.2
67.05520	0.3
69.07070	0.2
70.06592	0.4
72.08159	16.8
73.04040	0.4
79.05502	0.4
80.26733	0.2
81.03415	0.2
81.07098	0.3
82.97678	0.2
84.04482	0.3
85.06544	7.2
86.09706	0.4
89.10817	0.3
93.07029	0.5
95.05010	0.4
95.08588	0.3
97.07649	2.5
98.06049	0.4
102.09187	1.1
105.07062	1.0
107.04963	0.3
107.08607	0.3
109.03996	0.3
109.06536	0.5
109.23779	0.2
114.09169	4.5
114.10291	38.0
115.08690	10.0
119.08582	1.1
121.06477	0.3
123.08059	0.3
130.05037	0.4
131.08598	0.5
131.12949	0.5
131.97459	0.4
132.95862	1.3
133.10139	1.0
133.13753	0.2
150.96906	1.4
151.07457	0.3
155.15433	22.4
155.97420	0.4
156.13841	83.4
159.08020	0.3
169.07605	1.5
173.09570	0.3
173.13196	0.3
173.16492	4.5
173.98492	1.0
186.09018	0.2
187.11044	0.3
191.97179	0.5
197.13214	0.4
198.16019	41.0
210.89644	0.2
215.08415	1.7
215.14433	4.1
215.18675	100.0
215.61194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38113	0.5
53.94117	0.5
60.05659	18.6
61.66853	0.5
70.06583	2.4
72.08163	79.5
80.32755	0.5
81.73166	0.5
84.08141	0.8
85.06515	0.9
89.10773	2.3
92.17926	0.7
97.07641	3.7
98.09712	0.9
99.10039	1.0
100.07629	0.7
102.09165	2.2
103.50404	0.5
114.10293	24.0
114.17930	0.6
126.10258	3.4
127.08667	1.2
131.12917	6.3
133.62086	0.6
144.11328	48.1
156.13853	5.2
168.51892	0.6
173.16461	3.5
181.13419	0.6
198.16032	8.1
211.50995	0.6
215.14160	5.0
215.18678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47443	1.2
53.06010	1.0
59.15703	1.0
60.05663	2.2
66.69655	1.3
70.06580	1.9
72.08163	100.0
84.04523	4.8
84.05622	6.7
85.02929	10.3
95.65460	1.2
96.04483	1.5
96.08125	8.4
98.07133	5.6
102.05523	5.0
114.10345	1.7
126.06653	4.9
132.95831	8.5
135.58995	1.9
137.10747	1.6
138.09126	5.3
138.10149	1.2
141.16556	1.3
143.10172	2.2
144.07692	99.5
146.22563	1.3
150.96919	4.8
155.11830	1.3
156.10185	12.9
182.29312	1.3
197.14076	1.7
198.12416	10.1
215.15047	84.0
226.36894	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	215.1434
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
51.41071	0.8
55.05510	2.3
57.07095	1.0
67.05502	2.1
69.07061	1.6
70.68042	1.0
71.04972	1.5
72.27750	0.9
79.05472	2.2
81.07068	11.0
90.78296	0.9
91.05467	4.4
93.07040	6.0
95.04987	1.5
95.08586	5.0
95.71500	1.0
97.06522	3.8
101.71151	0.9
105.07045	10.3
105.49612	1.0
105.78534	0.9
107.08594	2.5
109.06494	2.2
117.07012	2.3
119.08586	16.9
121.06521	1.6
128.06175	2.1
129.06992	6.5
131.08565	17.2
131.97433	2.3
132.95816	7.6
133.06438	1.0
133.10130	6.1
135.08063	4.0
141.06995	5.6
142.07796	20.5
143.08580	23.4
145.06499	1.6
145.10120	26.4
150.96870	4.4
153.74188	1.0
154.07780	1.1
155.08597	17.9
155.97420	1.3
156.09338	10.0
157.10138	74.9
158.10887	6.6
159.08067	11.3
159.11716	8.9
161.02335	7.5
161.09579	1.0
167.08571	4.4
168.09322	2.0
169.10124	14.1
171.11681	16.1
172.12492	15.9
173.02362	15.1
173.09630	14.1
173.13261	41.0
173.98514	5.3
182.10922	25.0
185.13324	1.2
187.07518	1.6
187.11217	4.8
187.14850	12.6
191.97276	1.2
197.13260	60.7
215.07016	21.8
215.10757	6.8
215.14317	100.0
215.17926	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	215.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41369	0.3
54.09632	0.3
54.17398	0.3
96.79748	0.3
101.39616	0.3
108.92435	0.3
132.95810	0.8
170.09630	1.7
174.18491	0.5
184.07597	0.5
184.41245	0.3
199.08673	4.3
200.09370	4.2
200.10797	0.3
215.11786	100.0
221.07076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1393
Annotation	L-valyl-L-proline
Peak:m/z	Relative Intensity
55.05523	4.4
57.05825	0.3
58.06597	0.2
70.06599	19.1
72.08162	60.5
73.04739	0.2
74.06081	0.4
84.04518	1.1
86.09713	2.8
106.71473	0.3
116.07098	100.0
132.95819	2.5
144.07664	0.5
150.96892	1.6
151.12343	0.3
155.97401	0.4
172.77310	0.3
173.98508	0.6
187.14415	0.5
191.97194	1.2
215.13857	10.4
215.15642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1178
Annotation	Harmaline
Peak:m/z	Relative Intensity
57.65063	0.3
59.25636	0.2
67.51543	0.2
72.59114	0.3
86.03666	0.3
91.05576	0.3
97.13997	0.3
101.96275	0.3
131.97408	0.4
132.95813	1.7
145.10242	0.4
150.96878	1.4
163.01492	0.3
173.08363	1.3
173.98628	0.3
184.07672	0.5
191.97176	0.7
199.08682	3.9
200.09412	4.4
215.11792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	23.3
58.21810	1.9
71.08624	13.9
85.10181	8.1
87.44544	1.8
90.01357	1.7
90.90416	2.4
90.94801	3.7
131.92982	17.7
149.94075	14.2
149.96057	8.0
149.97064	2.5
175.44397	1.7
214.21664	100.0
214.25290	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	214.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05063	0.9
56.96570	2.3
60.08191	0.5
70.06609	1.5
70.20377	0.3
72.04533	0.4
72.08158	2.7
92.17885	0.7
98.09699	100.0
100.07623	36.7
100.11295	0.5
100.99107	0.6
110.09675	2.0
110.97591	0.5
111.05582	0.6
125.82307	0.5
126.09151	9.1
128.98599	0.8
138.06615	0.5
143.11830	4.0
150.06575	0.4
155.08218	0.5
155.15419	0.6
168.06519	0.6
168.10121	0.5
169.13351	1.7
171.14911	4.8
172.95268	0.7
172.97577	0.6
190.98611	0.6
196.18126	2.1
197.16510	14.8
214.10641	7.6
214.19145	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25489	0.8
58.06594	4.8
58.28403	0.7
60.05666	1.0
70.06586	5.2
72.04517	0.9
72.08160	50.2
72.14566	0.9
72.93787	0.7
83.04967	1.7
84.08148	9.7
86.09713	20.8
98.09697	16.6
100.07623	100.0
110.07195	1.0
112.07608	1.4
112.11268	3.1
117.26408	0.8
129.10254	17.2
135.93259	0.8
136.44669	0.8
140.10710	25.6
140.14348	1.0
143.11806	76.8
149.96124	1.3
150.05460	1.2
151.03880	0.9
154.08614	5.5
155.15453	9.7
157.13351	10.2
157.14496	0.9
164.26080	0.9
164.89243	0.9
171.14893	3.9
180.02452	0.8
196.18098	95.3
197.16443	5.9
214.12228	1.4
214.15547	11.6
214.19142	95.1
224.20113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1552
Annotation	Guanadrel
Peak:m/z	Relative Intensity
50.14275	0.5
54.66196	0.6
55.05500	0.8
55.97667	0.5
56.96582	0.5
60.05659	9.0
67.05512	1.2
67.92091	0.6
70.06232	1.0
70.06600	25.4
71.04995	7.8
72.05632	0.6
72.08150	4.2
72.93787	2.6
83.04973	0.7
84.05639	27.2
84.08170	1.2
85.06538	0.7
86.06079	0.8
87.04450	1.3
88.07633	4.9
90.94832	4.4
91.42030	0.6
93.07066	1.5
95.08604	6.3
96.05601	1.1
107.08570	0.8
109.10196	1.1
110.07179	5.4
112.08738	3.3
113.96440	0.7
124.07569	0.8
130.09776	34.5
137.09651	1.6
149.96121	7.8
154.12248	3.3
167.97183	3.4
170.09454	0.7
172.13361	3.4
172.97647	1.4
178.13426	1.2
179.11783	0.9
186.05667	0.6
196.14525	18.7
198.72534	0.6
214.07036	1.3
214.15535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03898	0.8
58.56615	0.9
60.05639	4.4
66.65942	1.0
69.07076	46.8
86.06065	15.3
87.04478	22.5
88.38596	1.0
96.99538	1.1
104.07107	8.7
111.05573	1.5
118.10526	1.1
128.08218	8.6
129.06584	1.7
146.09253	100.0
150.84447	0.9
154.15958	1.6
161.10103	1.1
180.84790	1.0
196.18068	1.5
214.15526	84.6
214.18990	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	214.1552
Annotation	Guanadrel
Peak:m/z	Relative Intensity
60.05662	6.1
63.41009	0.5
69.06712	0.8
69.07076	22.5
72.05625	1.1
84.05637	7.7
86.05576	1.0
86.06070	16.4
87.04479	26.5
89.05819	0.7
95.08615	7.2
104.07112	13.7
111.05550	3.3
122.07138	3.9
128.08220	8.8
129.06609	3.1
146.09253	100.0
147.18913	0.6
178.13420	4.0
183.09616	0.7
196.14464	15.1
214.15518	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02966	0.4
57.74720	0.3
60.05635	2.3
62.94822	0.3
63.50858	0.4
67.05496	2.3
68.06011	0.4
69.07065	0.4
70.06581	1.7
70.90468	0.4
72.05644	0.5
79.05469	0.8
80.05003	0.8
81.07053	3.0
84.05632	30.0
85.70236	0.4
90.94810	0.7
91.05489	0.6
93.07041	0.9
94.06570	0.6
95.08603	10.5
96.05614	24.3
96.08147	0.4
97.06397	2.1
98.07179	1.6
98.45901	0.4
107.08610	0.4
109.10205	1.2
110.07169	9.5
112.08706	0.4
114.06644	3.7
119.08561	2.1
122.07140	2.0
128.08234	0.5
130.09721	0.6
136.11209	2.3
137.09595	1.6
140.08217	0.6
149.96129	0.6
155.10590	0.6
167.11661	0.6
172.97673	0.5
178.13391	5.2
179.11816	0.5
196.11816	0.5
196.14458	43.9
214.15504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35828	0.5
53.91670	0.5
55.05501	2.9
55.62757	0.6
57.42690	0.7
60.05637	0.9
62.15918	0.6
64.49121	0.6
68.15641	0.8
68.95316	0.6
69.03414	1.2
70.06584	1.1
72.08168	12.7
83.04987	76.5
85.02905	0.8
89.10770	1.1
91.05479	1.1
93.07048	0.9
95.04948	1.1
97.07649	2.7
98.06039	2.9
99.04447	1.6
105.71758	0.8
107.08582	3.1
109.02893	1.7
112.07595	1.4
112.11192	0.7
114.10296	97.2
114.49229	0.7
115.08696	13.6
121.06520	1.1
121.10151	1.2
127.03883	3.3
131.08566	0.9
131.12921	4.4
149.09627	6.0
153.05409	0.9
153.13873	20.6
154.12270	45.2
167.10680	1.2
171.14920	4.1
177.09076	0.9
195.10164	3.4
196.14464	37.7
211.61157	0.8
213.17111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.7
60.05639	0.8
65.33783	0.7
70.06578	1.5
70.48854	0.8
72.08156	17.1
83.04986	98.7
89.10773	1.6
97.07650	4.2
98.06034	1.8
109.02863	2.9
110.16495	0.7
114.10292	94.1
115.08700	15.1
121.10065	1.3
127.03903	1.8
131.12901	5.0
149.09601	3.5
153.13863	24.7
154.12270	47.3
154.45361	0.8
171.14922	3.4
196.14465	39.4
213.03648	1.0
213.17099	100.0
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	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.51501	0.8
55.01877	1.2
55.05523	10.6
57.03445	7.3
57.07075	2.3
64.16680	0.9
65.21220	1.0
67.05515	63.3
69.07072	23.0
69.75665	1.0
71.04992	5.6
79.05497	28.6
81.03414	2.0
81.07067	100.0
83.04988	6.7
83.08624	26.9
84.32047	1.0
85.06540	6.3
90.49481	1.0
91.05489	16.5
92.59119	1.0
93.07052	53.9
95.04969	4.9
95.08614	24.3
97.06524	12.7
97.10149	1.3
99.08090	1.6
105.07053	6.1
107.08604	33.8
109.10186	2.0
111.08084	7.2
117.07048	8.7
119.08566	1.9
121.06481	1.6
121.10161	20.2
123.11688	8.7
127.03891	1.8
127.07580	1.1
131.08568	10.8
133.10141	19.4
135.08032	1.0
135.11693	18.1
149.13269	32.4
151.11214	1.8
157.10185	1.4
159.11710	17.6
177.12756	8.3
195.13783	12.2
213.16386	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	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
55.01878	4.4
55.05521	20.2
57.38848	1.1
57.54270	1.0
60.59156	0.9
64.69847	1.1
67.05509	16.7
69.03425	5.4
69.07061	6.9
71.05003	46.4
79.05495	9.1
81.07064	15.7
83.04997	2.3
83.08633	21.0
85.06538	6.6
87.04455	8.2
91.05467	1.6
92.18498	1.2
93.07046	12.7
95.08601	8.8
97.06537	73.2
97.07163	2.6
97.10172	47.2
105.07056	1.5
106.26410	1.4
107.04950	1.7
107.08618	15.7
109.10170	11.7
111.08099	2.5
117.07011	1.9
121.10168	2.4
125.09644	36.1
131.08588	4.9
133.10135	2.3
135.08066	6.0
135.11685	7.0
141.33667	1.3
149.09601	1.5
149.13290	2.6
153.09109	1.5
154.85768	1.3
159.11717	1.5
165.45137	1.2
167.07031	2.2
171.10115	1.4
177.12741	7.1
189.11201	5.9
195.13803	38.0
213.14865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1276
Annotation	Spiniferin 1
Peak:m/z	Relative Intensity
51.44489	0.7
54.53978	0.8
55.70127	0.7
61.40329	0.8
64.83778	0.8
78.81046	0.8
88.07614	3.4
96.54329	0.9
121.95738	0.9
130.93335	1.5
167.07071	1.2
171.08080	1.3
198.10411	14.2
213.12741	100.0
213.24124	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	DIHYDROJASMONIC ACID
Peak:m/z	Relative Intensity
55.05511	7.1
57.80970	3.4
67.05511	62.8
69.07063	21.0
71.34144	4.1
72.81189	4.4
76.13512	4.1
79.05504	32.4
81.03426	5.2
81.07059	100.0
83.04999	5.9
83.08619	11.2
88.07616	8.9
88.10139	3.9
91.05477	9.1
93.07063	63.9
95.08598	11.5
97.06516	10.9
99.08074	5.7
105.07006	6.7
107.08580	46.8
117.06996	9.2
121.10136	22.4
121.95715	4.8
131.08583	10.6
133.10138	8.4
135.08070	5.9
135.11713	25.9
149.13280	44.8
159.11691	19.4
195.11884	5.0
195.13837	8.6
198.10521	6.4
213.06731	7.7
213.10571	6.9
213.12718	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0749
Annotation	GEIR-1
Peak:m/z	Relative Intensity
65.33325	13.9
95.27408	12.7
109.86739	14.8
110.07977	15.2
134.07037	14.4
196.04749	100.0
212.85243	73.1
213.07500	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1125
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
50.26073	0.3
53.24543	0.3
55.01877	0.2
55.31056	0.2
60.42978	0.3
62.42282	0.3
68.74574	0.3
69.07089	0.4
70.06569	1.3
72.08138	1.3
78.04734	0.5
79.05502	2.8
81.03438	0.6
81.07096	0.3
83.04997	0.4
85.74451	0.3
86.09706	2.4
88.07618	0.3
91.05482	1.5
93.07040	0.5
95.04957	1.9
97.06527	0.3
103.05480	3.2
105.07047	2.6
107.04967	44.1
107.08587	1.4
109.02905	0.7
109.06462	0.4
115.05468	1.3
116.07073	0.3
117.07005	0.6
120.05703	0.6
120.33591	0.3
121.06482	1.3
121.10168	0.6
123.04464	1.3
123.08066	0.4
124.05212	1.6
125.05978	0.5
127.03888	0.8
131.04935	1.5
133.06517	0.6
135.08066	17.7
135.66397	0.4
137.05927	0.6
137.09605	0.4
140.04677	0.4
145.06552	0.5
145.07637	1.5
149.06015	0.7
149.09624	4.1
151.03935	0.4
152.04729	0.7
153.05452	0.5
154.06261	2.0
163.07550	29.3
167.07047	100.0
177.09099	1.2
180.07846	3.1
195.08359	0.6
195.10181	19.7
213.11179	4.9
213.12907	0.5
213.15953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72192	0.5
53.00301	0.5
55.05517	1.0
57.07080	0.8
60.05660	71.3
61.15488	0.5
62.18043	0.5
63.13971	0.5
67.05502	2.3
69.07056	3.3
70.06602	0.9
71.04989	2.4
72.05640	1.0
75.16707	0.6
75.25886	0.5
79.05461	2.1
81.07070	1.2
83.08617	1.1
84.05616	2.4
85.06553	44.2
91.05466	0.6
92.34907	0.5
93.07050	22.5
94.97644	0.6
95.08610	4.8
105.31027	0.6
105.79556	0.7
106.07313	0.6
107.08604	15.8
110.07155	0.8
112.08713	0.9
118.30865	0.6
124.04753	0.7
126.10262	0.6
135.11705	8.2
153.05011	0.6
165.28812	0.6
167.07021	13.5
168.07373	51.6
169.08870	3.6
180.07411	1.4
184.11224	17.9
194.09781	4.6
194.16556	13.0
197.08379	52.3
202.55206	0.6
208.82892	0.6
212.10719	100.0
212.14207	5.0
212.17618	19.6
212.19832	1.1
214.46761	0.6
233.13574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	0.8
60.05661	100.0
67.05510	1.2
69.07070	2.9
72.05634	2.6
79.05513	4.7
81.07066	26.8
83.08631	0.8
84.08173	0.7
85.57625	0.6
91.05508	1.1
93.07056	29.1
95.08620	4.9
97.06535	2.8
107.08612	18.9
109.10133	4.7
125.09493	0.9
135.11702	14.8
168.07333	4.4
168.72873	0.5
180.65172	0.5
190.18166	0.7
194.16542	43.1
212.10828	0.7
212.17592	25.3
218.38675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62476	0.9
53.43841	0.9
54.85779	0.9
55.05515	1.6
60.05658	100.0
63.61740	1.0
64.80268	1.0
67.05502	1.1
69.07049	1.5
71.05014	1.1
76.75060	0.9
79.05492	1.2
80.10886	1.0
81.07068	2.4
83.04995	1.1
83.08627	1.6
85.06548	23.2
91.05521	1.5
92.99122	1.1
93.07042	33.9
95.08617	15.1
96.08955	1.5
100.07600	1.2
103.39751	1.1
107.08603	21.5
109.10165	2.3
110.10496	4.4
122.66950	1.0
135.11693	8.6
136.12045	2.1
167.06903	1.2
168.07388	5.8
194.16501	7.9
212.17581	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	212.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43257	0.4
55.84369	0.4
56.41627	0.5
58.07045	0.5
59.08254	0.4
59.78174	0.4
60.05646	1.9
67.05515	0.5
69.07056	2.0
70.06616	0.6
79.83492	0.5
84.05639	10.6
87.79562	0.4
89.00934	0.4
90.81404	0.4
93.07034	2.1
96.05602	3.0
107.08614	2.0
109.10159	1.2
110.07171	2.2
110.09750	0.6
124.08721	0.5
135.11743	0.5
156.66368	0.5
167.07077	0.8
168.07385	9.5
180.03099	0.5
194.16537	3.2
197.08348	1.2
208.50699	0.5
212.10822	4.4
212.17584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1758
Annotation	Monanchorin
Peak:m/z	Relative Intensity
60.05641	1.9
67.05503	0.6
69.07054	0.6
79.05482	0.5
81.07059	0.4
84.05629	10.2
93.07018	1.7
96.05623	2.7
97.06405	0.5
107.08566	1.5
107.62730	0.3
109.10159	1.5
110.07179	2.5
112.08715	0.5
125.09576	0.3
135.11671	0.5
157.42725	0.4
167.07040	0.6
168.07375	5.8
194.16537	2.2
212.17575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1648
Annotation	3alpha-Isobutyryloxytropane
Peak:m/z	Relative Intensity
55.01866	2.5
55.05519	15.3
57.03440	1.4
57.07087	12.9
67.05503	20.9
69.03411	1.4
69.07074	43.0
70.06599	1.6
71.04980	5.2
71.08617	5.7
72.08156	2.1
79.05489	10.5
81.07058	33.2
82.06563	1.8
83.04966	4.8
83.08628	50.7
84.08135	2.4
85.06554	4.9
85.10156	1.3
86.06061	7.1
86.09710	4.7
91.05465	2.9
93.07048	35.4
95.04946	1.3
95.08614	14.0
96.08114	2.9
97.06548	18.1
97.10153	6.5
99.08088	2.0
100.07611	8.9
104.35836	1.2
107.08601	29.1
109.10168	9.0
110.09674	6.9
111.08063	11.3
114.09130	9.7
117.06995	2.2
119.73375	1.2
121.10136	14.0
123.11671	5.2
124.11227	5.9
125.09634	4.6
125.13215	2.6
128.10715	2.9
134.10399	1.3
135.11699	5.4
142.15921	1.8
149.13266	56.4
159.11696	10.2
166.15909	77.6
167.14308	16.9
176.14352	2.3
177.12753	2.1
184.11189	2.8
184.16998	14.3
194.15413	5.4
195.13834	1.9
197.08430	8.3
212.10796	17.8
212.16458	100.0
213.14906	2.5
221.66069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1647
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
51.05313	0.2
55.05509	0.3
55.69006	0.2
60.12682	0.2
60.20287	0.2
66.79144	0.2
67.05517	0.5
67.35474	0.2
69.07075	1.1
70.06605	0.5
70.64302	0.3
80.05030	0.3
81.07064	0.3
82.06583	0.3
84.08165	0.6
85.01825	0.2
85.31904	0.3
88.04007	1.4
92.18431	0.3
95.08636	0.4
96.08131	2.6
107.08604	0.3
109.10124	0.3
110.06070	0.4
122.80196	0.3
166.03284	0.4
166.15936	2.2
171.09888	0.6
175.91417	0.3
176.14374	0.6
194.15413	64.3
212.16455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81216	0.7
67.05504	0.9
69.07064	4.9
75.87579	0.9
81.07045	1.2
92.17810	1.4
95.08611	1.6
111.13492	0.8
126.14544	0.9
129.07040	7.2
130.06532	8.7
130.52977	0.9
144.08112	10.4
156.08098	33.9
157.08856	11.1
168.08032	9.7
169.08862	28.3
170.09656	35.2
176.87766	0.8
182.09677	7.9
183.10437	14.9
184.11218	3.3
196.11243	1.0
196.46524	0.8
197.12032	10.3
210.12799	3.1
212.14346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1397
Annotation	Isouron
Peak:m/z	Relative Intensity
50.33981	0.6
55.05509	3.3
56.05020	0.6
56.68699	0.5
57.19561	0.7
58.06609	1.5
60.08173	8.8
61.02939	0.6
64.51178	0.8
68.29273	0.8
69.03429	0.8
70.06590	14.4
71.04995	0.8
71.58829	0.6
72.08158	19.0
73.02904	0.8
80.05025	3.0
83.06112	1.0
84.05641	10.8
84.08152	4.4
85.01187	0.7
85.02911	1.0
85.42535	0.6
87.04465	4.4
96.06941	0.8
97.02916	0.8
98.06066	2.6
98.97580	1.2
99.04477	1.0
108.04459	3.3
109.02910	0.7
109.07639	11.1
110.07168	2.6
110.09697	3.1
111.00278	1.6
111.05569	11.0
112.76156	0.7
114.10290	1.0
115.08694	1.2
119.01939	1.4
121.03983	9.3
122.07169	1.1
124.07619	8.1
124.08723	26.1
126.05540	4.3
126.09171	8.9
127.03950	0.8
127.12309	0.9
138.10274	56.8
141.10219	0.9
143.01065	0.8
143.11795	1.7
145.03493	0.7
152.01152	1.6
152.08168	1.5
153.05505	1.4
153.06619	7.9
158.09302	1.6
158.99541	0.9
165.09029	3.0
166.08650	1.0
166.09789	8.0
168.05186	0.7
170.09232	8.1
170.99745	0.8
176.11937	0.8
180.11357	1.3
183.04051	0.7
189.00639	1.3
189.03526	1.4
194.09334	2.8
195.14951	1.6
199.94223	0.7
203.03477	1.7
212.05428	1.6
212.10455	11.0
212.14000	100.0
212.17574	5.6
217.52849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
55.05513	2.4
57.04568	0.8
60.05652	0.9
60.54324	0.4
67.05511	1.8
69.04566	0.4
71.17255	0.3
79.05508	0.4
80.05012	0.4
81.07051	2.4
82.06599	0.5
83.08628	1.9
84.05631	100.0
85.06403	0.4
91.05478	3.2
91.43532	0.4
93.07047	24.0
94.06552	0.6
95.04968	0.7
95.08614	0.9
96.05616	14.0
97.04014	18.5
105.07032	5.8
107.08593	1.7
110.07174	10.2
111.08102	3.2
112.05096	1.7
113.05898	3.3
122.07177	1.9
122.09675	8.6
123.08073	1.7
123.09184	5.7
124.08712	1.7
134.07097	1.5
134.09651	7.4
135.08069	0.8
136.08710	0.9
138.10274	0.5
140.08159	0.8
140.10721	0.5
148.07571	0.7
148.08649	1.0
152.10674	2.5
159.09138	0.5
165.10234	14.0
166.13391	0.9
174.10286	0.5
176.11819	16.7
183.11298	7.4
194.12891	47.2
205.67171	0.5
212.13940	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	212.1397
Annotation	Isouron
Peak:m/z	Relative Intensity
57.03683	0.5
60.05652	1.1
66.80132	0.6
68.99418	0.6
69.07054	0.7
70.06596	0.9
71.04987	2.2
78.77650	0.5
81.05805	1.2
82.06577	0.8
83.08638	0.6
84.05634	14.0
93.07023	2.1
96.05606	3.8
97.04018	3.7
97.06503	0.7
107.08583	0.7
110.07158	4.7
111.08040	1.0
113.07152	0.7
122.07140	3.4
123.07992	12.1
124.08723	33.9
125.07108	0.7
126.06648	2.4
134.07150	0.7
134.09631	2.7
134.25920	0.7
136.08763	0.8
140.10709	0.6
144.04762	0.8
152.10733	10.2
153.09145	0.7
166.08571	0.7
166.13292	0.7
176.11838	47.8
182.11391	0.7
183.11301	31.6
186.31288	0.6
194.12907	74.2
212.13963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51487	0.8
54.82102	0.9
55.05507	1.0
55.54844	0.9
66.38847	0.9
69.07062	2.4
83.08621	4.4
84.05637	23.8
87.91282	1.0
93.07027	2.1
95.44438	1.2
96.05595	3.7
110.02324	1.8
110.07157	3.9
111.08081	4.9
122.06345	1.6
122.07160	25.9
123.07957	2.4
124.08722	13.8
129.09097	6.8
134.09618	2.0
135.08023	1.4
138.10268	1.6
140.08170	1.9
152.10712	5.1
153.09111	1.7
166.13391	1.3
175.36980	1.2
176.11830	31.4
194.12903	76.4
203.26251	1.0
212.13950	100.0
216.99988	1.0
233.10866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1397
Annotation	Isouron
Peak:m/z	Relative Intensity
55.05520	0.9
57.22926	0.9
60.95364	0.8
63.61560	0.8
68.91903	0.8
69.07079	1.8
72.47410	0.9
80.05043	1.1
83.08614	4.5
84.05634	20.0
85.77271	1.1
88.66118	1.0
90.15038	0.8
91.05460	0.9
93.07047	1.3
96.05611	5.8
110.06004	1.0
110.07187	4.8
111.08092	4.6
122.07162	31.7
123.07938	2.2
124.08703	16.9
128.29730	1.0
129.09106	5.4
132.38028	0.9
134.09653	1.6
152.10718	4.8
154.22299	1.1
166.13420	1.9
176.11824	42.9
194.12906	100.0
208.27811	0.9
212.13959	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	212.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87621	1.0
80.05013	1.7
83.08625	1.7
84.05637	19.4
84.08156	1.1
86.55745	1.0
93.07074	1.4
94.55605	1.0
96.05613	5.6
103.31892	1.1
110.07172	7.1
111.08092	4.7
113.26263	1.1
116.78361	1.0
120.08072	1.3
122.07160	33.7
123.07932	4.3
124.08715	15.5
126.05482	1.2
129.02078	1.1
129.09119	4.7
133.36331	1.0
134.09630	1.7
140.08180	1.9
141.21320	1.1
152.10713	7.1
166.13359	2.5
168.07333	1.3
176.11833	45.0
194.12909	100.0
212.13951	100.0
218.51711	1.1
227.10153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1071
Annotation	2-Methoxy-3-methylcarbazole
Peak:m/z	Relative Intensity
59.20892	0.4
120.05886	0.4
169.08838	2.2
184.09714	0.8
184.11241	16.4
194.09692	3.0
197.08368	44.6
212.10710	100.0
212.20038	3.6
230.17091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67019	0.5
52.62514	0.7
55.01865	1.2
55.05508	1.4
59.35735	0.6
61.88050	0.7
62.12323	0.6
63.21227	0.6
67.05511	0.8
75.56922	0.6
79.05463	0.8
81.07045	2.7
82.06601	1.0
83.08595	2.6
84.05637	100.0
91.05473	3.0
92.17770	0.7
93.07050	26.6
94.06555	1.2
95.04968	1.0
95.08600	1.7
96.05613	16.6
97.04008	12.3
98.07166	1.5
105.07035	8.5
105.64832	0.7
107.08566	1.3
110.07168	11.5
111.08076	3.9
112.05102	1.1
113.05875	4.2
118.71628	0.8
122.07159	2.6
122.09671	10.1
123.08051	2.8
123.09183	1.6
124.08710	1.2
134.07033	0.7
134.09653	7.9
135.08017	1.0
135.15909	0.7
138.06551	0.8
148.08716	1.3
152.10703	1.0
159.09167	1.2
165.10236	14.8
166.13382	0.8
176.11818	23.1
183.11270	5.8
194.12898	52.0
200.99110	0.7
211.59441	0.7
212.05841	1.0
212.13957	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08181	0.5
62.88012	0.3
64.89885	0.3
68.05042	0.5
70.46772	0.3
72.08171	0.4
83.05357	0.3
83.06107	2.2
92.18400	0.6
96.06872	4.0
97.07648	1.4
107.06047	0.5
109.07646	41.7
111.05582	0.5
124.08714	100.0
125.07140	0.7
126.10297	3.7
148.03059	0.3
148.08702	3.6
149.64099	0.4
150.10237	0.4
152.08205	0.4
153.06607	4.4
166.09752	33.7
168.11337	2.8
168.14970	1.5
170.09244	38.8
194.09276	7.8
200.64056	0.4
212.10313	39.8
212.13974	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	212.1032
Annotation	N-Acetyl-1-methyl-L-histidine
Peak:m/z	Relative Intensity
50.70677	0.6
53.16005	0.5
56.05038	1.3
56.96567	1.0
57.71389	0.5
58.06588	1.1
60.08170	6.9
63.02208	0.5
63.05317	0.6
68.05015	0.9
68.31575	0.5
69.03416	0.9
69.91939	0.5
70.06595	11.2
71.06110	4.3
71.16779	0.5
72.04502	0.6
72.08161	45.8
73.02908	2.3
77.01640	0.5
80.05009	3.8
81.04546	0.6
81.67409	0.6
83.06104	3.3
84.04514	0.6
84.08143	10.3
85.02893	2.7
86.06051	0.9
87.04466	3.1
94.06523	0.5
95.06053	0.8
96.04507	4.5
96.06870	2.2
97.07659	0.8
98.06045	3.3
98.97580	2.7
101.00906	0.5
108.04475	1.3
109.07648	60.2
110.07227	0.6
110.09686	16.8
111.05578	8.3
114.10259	2.3
116.98604	0.7
119.01868	0.9
120.08092	4.0
121.04005	8.4
121.08489	0.9
124.07600	30.1
124.08704	100.0
125.07114	1.0
126.05561	0.6
126.09158	41.0
126.10104	1.7
127.12326	6.6
128.98590	0.8
129.10310	0.7
136.07550	0.5
138.09174	0.8
138.10231	0.7
141.10275	6.2
142.03595	0.6
142.08653	3.8
143.11812	12.2
148.08704	3.2
152.02986	0.7
153.01404	1.2
153.05429	1.1
153.06577	10.2
153.77425	0.6
161.02786	0.6
165.08975	3.9
166.09767	33.1
168.14996	7.1
169.09695	1.0
170.04089	2.3
170.09250	33.9
171.01183	0.8
171.02518	17.6
176.03009	0.9
180.11340	1.2
189.00951	0.8
189.03580	37.0
194.04143	28.1
194.09351	8.2
195.11302	15.6
195.14920	12.8
212.05177	55.4
212.10561	24.9
212.13989	44.2
212.17531	26.6
218.47574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.092
Annotation	CJ 14877
Peak:m/z	Relative Intensity
55.01863	0.4
56.05045	3.0
56.96561	0.4
57.03435	0.3
70.06590	1.7
72.08138	0.5
73.02880	0.3
83.06118	0.3
83.44174	0.3
84.04501	0.3
84.08134	2.2
85.02881	0.3
87.04437	0.5
96.06882	0.4
97.02884	0.5
97.06566	0.4
101.00858	0.3
103.05489	0.3
104.79521	0.3
108.04472	0.4
109.07643	6.7
110.54881	0.3
113.96375	0.5
115.03909	3.7
119.01908	0.3
120.08107	6.3
124.04771	0.6
124.07707	0.6
124.08715	12.8
125.02360	1.5
125.05978	0.6
125.07116	1.6
126.10281	0.6
129.10213	1.6
130.08678	0.5
133.28969	0.3
134.06004	3.0
136.07550	0.4
143.03404	0.3
148.07585	1.8
148.08679	0.4
149.05952	1.6
150.05508	1.8
150.10352	0.3
152.07071	12.9
152.08308	0.4
153.05463	2.3
153.06609	1.8
155.97391	0.3
158.99582	0.3
166.04967	2.1
166.08618	14.9
166.09801	3.4
168.11363	0.4
170.09248	5.0
170.91396	0.3
171.02895	1.6
171.05038	0.3
176.07056	4.6
188.92482	0.5
189.00745	0.3
193.93060	0.6
194.08128	100.0
195.07785	2.5
195.11279	0.6
211.94148	0.5
212.05719	1.8
212.09096	54.8
212.12869	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05514	7.4
57.03434	0.8
57.07083	1.9
59.04993	1.3
67.05509	11.2
67.59540	0.8
69.03436	6.8
69.07077	13.7
71.04990	3.2
71.08639	1.0
79.05523	1.2
81.07059	16.0
83.04973	11.8
83.08617	8.1
85.06556	1.7
91.05492	0.9
92.17814	1.0
93.07045	8.3
95.04977	1.2
95.08604	30.2
97.06493	1.0
99.08099	4.8
105.07024	4.8
107.08602	19.5
109.06508	8.7
109.10163	100.0
111.08074	4.3
113.09628	1.6
119.08585	21.7
119.46331	0.8
121.10140	11.2
123.08081	14.5
123.11708	12.7
125.09602	1.4
130.82207	0.9
133.10139	18.8
135.11694	74.3
137.09627	18.8
139.11188	1.4
140.36974	0.9
147.11694	1.0
149.13257	3.6
151.11206	11.9
151.14828	13.6
153.12755	1.5
165.16402	3.4
167.07025	12.4
175.14819	21.3
179.07030	3.2
192.63522	0.9
193.08650	1.0
193.15903	20.3
194.80151	0.8
211.05742	1.4
211.16919	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.0
57.07084	1.9
59.05007	0.9
63.20902	0.8
67.05511	13.2
67.36581	0.8
69.03432	5.6
69.07072	10.4
71.04991	2.2
71.08652	0.9
79.05512	1.1
81.07066	18.6
83.04996	9.9
83.08621	9.4
85.06538	4.6
91.05476	1.0
92.17781	1.1
93.07050	7.0
95.08609	32.1
97.10180	0.9
99.08108	2.1
105.07016	4.5
107.08601	19.3
109.06531	10.4
109.10161	100.0
111.08070	2.1
113.09600	1.6
117.15010	1.0
119.08582	19.7
120.24608	0.8
121.10156	13.0
123.04411	1.7
123.08063	13.4
123.11704	12.2
125.09613	1.0
133.10127	19.7
135.11694	60.2
137.09616	14.8
139.11279	1.3
140.56593	0.9
143.83322	0.9
148.79289	1.0
149.13261	5.3
151.03960	2.1
151.11186	14.1
151.14813	15.9
153.12769	3.6
165.16364	4.3
167.07034	42.5
175.14810	22.9
179.07059	3.6
193.15898	14.6
211.07613	0.9
211.14799	1.1
211.16815	1.6
227.88826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1696
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.22774	0.6
51.35120	0.5
55.05513	6.4
57.03442	0.7
57.07074	2.8
59.05009	1.3
67.05510	11.9
67.44600	0.6
69.03435	5.2
69.07076	13.8
71.05005	3.2
71.08617	0.9
72.52077	0.6
79.05463	2.2
80.87862	0.6
81.07063	17.0
83.04514	1.1
83.04981	12.7
83.08637	7.8
85.06536	3.9
88.31868	0.7
91.05473	2.9
93.07044	8.3
95.04984	1.6
95.08610	34.2
97.06564	0.8
97.10163	3.4
99.08094	4.5
105.07048	5.8
107.08605	19.0
109.06524	11.9
109.10163	100.0
111.08084	3.0
119.08585	19.8
121.10142	12.6
123.04429	0.9
123.08062	13.3
123.11715	10.1
125.09602	1.2
133.10138	18.0
135.11696	72.2
137.09621	19.5
138.10405	0.9
139.11179	2.6
149.13269	6.5
151.11191	10.5
151.14827	12.9
153.12762	3.7
165.16391	3.7
167.07042	23.7
175.14806	22.1
179.07103	1.1
181.08588	1.0
193.15891	21.9
211.11339	1.5
211.14941	1.4
211.16887	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	211.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.7
57.03447	1.0
57.07084	2.7
59.04999	0.9
67.05514	12.2
69.03442	7.3
69.07076	15.1
69.11935	0.6
71.04996	3.5
71.08614	0.6
74.08077	0.4
79.05492	2.4
79.63423	0.5
81.06608	0.7
81.07070	18.3
81.07536	0.8
83.04982	13.1
83.08626	10.6
85.06551	3.9
89.36080	0.5
91.05463	2.0
93.07053	8.3
95.04996	1.0
95.08611	34.1
97.10170	2.7
99.08089	4.5
105.07038	4.9
107.08599	21.3
109.06523	12.9
109.10162	100.0
111.08060	4.2
113.09628	2.4
119.08587	22.3
121.10143	12.7
123.04362	0.6
123.08074	13.3
123.11712	10.9
125.09598	1.1
133.10132	21.5
135.11696	81.7
137.08571	0.7
137.09633	21.1
138.10403	0.7
139.11174	3.2
147.11690	1.1
149.13268	6.2
151.11203	10.7
151.14818	14.8
152.25626	0.5
153.12743	3.3
161.08028	0.5
165.16370	3.5
167.07027	12.1
169.07088	0.5
175.14818	24.3
193.15892	20.0
193.17628	0.8
211.15186	0.7
211.16985	3.2
233.37495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.05526	5.0
57.03440	0.7
57.07065	1.0
59.05010	0.9
67.05238	0.4
67.05520	6.5
69.03436	4.5
69.07078	6.0
71.04986	2.3
78.04762	0.5
79.05511	4.7
81.03427	6.5
81.07072	10.4
83.04530	0.6
83.04997	9.7
83.08619	6.7
85.06554	2.3
91.05489	4.4
93.07051	4.4
95.04979	4.4
95.08617	17.3
97.06567	1.0
97.10171	1.9
99.08091	1.1
105.07044	9.5
107.04971	1.9
107.08602	10.1
109.06517	6.3
109.10168	43.7
111.08095	2.6
113.09624	0.6
118.04140	0.5
119.04962	0.7
119.08598	12.5
121.06559	0.8
121.10157	4.9
123.04445	9.4
123.08072	6.6
123.11720	4.9
124.05269	0.8
125.09650	2.4
129.07014	0.9
131.08592	0.9
133.06531	5.2
133.10138	9.3
135.11703	33.2
137.06009	1.1
137.09618	8.6
139.11185	0.6
146.96822	0.6
147.11649	1.6
149.05978	3.4
149.09479	0.6
149.13301	2.6
150.06757	2.4
151.03912	0.6
151.07578	7.2
151.11224	4.5
151.14827	7.2
152.04787	0.7
153.12744	2.1
157.10066	0.6
161.05980	0.8
165.09140	3.8
165.12743	0.6
165.16415	1.0
167.07047	100.0
169.10066	1.0
175.11305	0.8
175.14830	10.3
179.01642	0.5
179.07033	26.3
181.08597	2.5
193.08629	7.2
193.12300	4.1
193.15877	10.6
211.09607	4.8
211.13078	1.1
211.14925	0.9
211.16957	2.8
211.18840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05519	6.2
57.07067	2.6
59.04995	2.2
67.05507	11.8
69.03436	6.2
69.07069	10.8
69.79673	0.4
70.42181	0.4
71.04987	3.4
71.08610	0.6
79.05499	2.3
81.07068	17.1
82.54842	0.6
83.04991	10.9
83.08623	9.3
85.06538	3.1
91.05457	1.1
93.07045	7.9
94.13004	0.5
95.04988	0.9
95.08607	35.0
97.10165	3.1
99.08115	3.5
105.07034	3.0
107.08598	18.4
109.06525	11.4
109.10161	100.0
111.08079	3.2
113.09657	2.2
119.08577	16.3
121.10136	9.6
123.04398	1.0
123.08068	12.0
123.11704	10.4
125.09636	1.2
127.11205	0.8
133.10132	16.4
135.11696	65.3
137.09627	17.9
137.13214	0.6
138.10448	0.6
139.11217	3.2
141.20212	0.5
146.96727	0.7
147.11728	1.9
149.05975	1.0
149.13258	6.4
151.11192	11.1
151.14818	12.8
153.12764	3.0
155.03404	0.5
164.38753	0.5
165.16412	3.8
167.07024	14.3
175.14807	19.5
176.43887	0.5
179.07039	1.1
193.15877	19.9
211.16914	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	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03942	1.4
55.01889	4.6
55.05524	31.7
56.96564	1.3
57.03452	7.0
57.07080	1.0
59.04993	1.1
67.05511	27.4
68.81487	0.6
69.03439	8.1
69.06755	0.8
69.07076	14.6
71.05000	4.8
79.05080	1.2
79.05505	28.6
79.05960	1.0
81.03432	100.0
81.07066	40.1
81.07542	1.4
83.04991	48.3
83.08629	51.7
85.02913	1.3
85.06527	3.9
91.04938	1.2
91.05486	34.2
93.07050	21.4
95.04975	37.7
95.08613	27.2
95.25567	0.6
97.02879	3.4
97.06537	7.1
97.09573	0.7
97.10176	13.4
99.08074	3.5
104.87314	0.7
105.07040	22.8
107.04961	9.3
107.08605	12.1
109.06506	7.6
109.10173	11.7
111.04433	3.8
111.08092	15.3
115.05479	1.3
117.07011	1.1
118.54543	0.7
119.04930	1.0
119.08588	28.9
119.95690	0.8
121.06454	3.0
121.10133	11.1
123.04411	0.9
123.08047	4.4
123.11691	1.6
125.09639	3.1
125.60721	0.6
128.95105	1.1
129.06158	0.6
129.07018	12.8
130.87973	0.7
131.08578	17.2
133.06474	5.6
133.10138	21.1
135.11716	2.3
137.06052	0.8
137.09618	5.3
142.07744	3.0
145.10110	2.5
145.96559	0.7
147.07999	5.2
147.11700	24.0
149.05902	0.7
149.09613	10.2
149.13254	1.0
151.07542	1.1
151.11185	1.6
151.14796	3.3
155.08545	0.9
157.10136	21.1
163.11223	1.0
164.97775	1.3
165.12746	4.7
167.07043	15.7
169.10126	3.7
175.11195	21.9
175.14809	7.8
179.07022	2.8
179.10541	0.6
193.12251	61.6
193.15881	4.7
196.12506	0.8
211.13263	38.4
211.14848	3.1
211.16908	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1332
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.52170	0.5
53.00308	0.6
53.03946	1.1
55.01878	3.5
55.05524	26.9
56.96564	1.4
57.03442	6.2
59.05016	1.0
64.80472	0.5
65.03941	1.0
67.05182	1.2
67.05515	24.0
69.03442	7.5
69.07080	11.8
69.20174	0.7
71.01352	1.1
71.04998	6.0
73.02908	0.7
74.18572	0.6
79.05504	24.8
81.03430	100.0
81.07068	35.3
83.04991	47.9
83.08630	43.1
85.02903	0.8
85.06552	3.6
88.50124	0.6
91.05486	28.4
92.17879	0.7
93.07057	17.9
93.07625	1.3
95.04977	35.5
95.08611	19.7
95.99336	0.6
97.02901	4.2
97.06524	6.3
97.10173	13.0
99.08080	2.9
100.44432	0.6
105.07033	21.8
107.04971	9.2
107.08600	12.6
107.56509	0.7
109.06547	8.7
109.10191	7.3
111.04427	3.2
111.08089	12.5
113.06024	1.2
115.05451	0.9
117.07018	0.9
119.04929	1.1
119.08589	23.5
119.95742	3.0
121.06493	2.6
121.10160	10.3
123.08060	4.3
123.11737	1.4
125.09622	1.5
129.07010	11.5
131.08580	15.1
133.06482	4.4
133.10143	15.3
135.11714	3.0
137.09644	3.5
142.07764	3.2
145.10085	1.4
146.96660	0.7
147.08064	6.0
147.11694	20.5
147.81305	0.7
149.06026	1.0
149.09627	8.6
149.13185	0.7
151.11230	2.5
157.10133	18.7
163.97784	1.0
164.97758	3.6
165.12779	3.1
167.07045	25.3
167.08412	1.3
169.10086	1.4
170.03702	0.8
175.11191	27.3
175.14708	5.5
179.07019	1.1
193.12253	57.5
193.15889	2.9
203.74696	0.6
211.11237	1.5
211.13220	28.8
211.14799	3.5
211.16757	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.79485	3.9
53.29039	3.4
55.05512	25.5
56.96571	10.7
65.57238	4.2
67.05506	38.2
68.62481	3.8
69.03429	8.9
69.07072	10.6
70.14679	3.7
70.39047	3.7
79.05495	28.6
79.07574	5.0
81.03425	100.0
81.07073	35.4
83.04995	56.8
83.08598	36.8
83.78931	4.1
91.05480	30.7
93.07050	24.5
95.04975	36.3
95.08598	17.4
95.78318	3.9
96.07382	4.2
97.06529	6.3
97.10165	9.0
105.07029	27.3
107.04961	5.7
107.08596	8.8
111.08102	11.0
117.07033	4.7
119.08598	18.6
119.95712	43.1
121.10159	8.1
123.08157	5.0
129.07030	10.8
131.08562	6.4
133.06516	7.6
133.10150	19.4
137.96706	5.4
147.11705	21.8
148.02599	4.6
149.63187	4.7
154.18805	4.6
157.10152	19.7
164.97760	8.4
165.12730	5.2
170.03703	7.1
175.11180	10.4
187.99394	5.4
193.12245	66.6
204.86575	4.1
211.08633	4.9
211.13268	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.33567	1.1
55.01881	3.0
55.05520	30.1
57.03447	22.1
57.62000	1.2
59.04994	1.6
67.05509	24.4
69.03426	8.7
69.07069	10.3
71.04997	5.9
79.05500	30.7
79.95693	1.3
80.50444	1.8
81.03425	100.0
81.07063	38.0
83.04995	47.1
83.08627	40.1
91.05488	33.6
93.07047	18.6
95.04966	35.0
95.08624	12.5
97.02894	5.7
97.06503	3.3
97.10161	13.4
105.07038	26.9
107.04945	9.3
107.08600	10.8
109.06528	9.3
109.10159	2.8
111.04488	2.2
111.08079	12.9
119.08570	23.2
121.06531	2.0
121.10117	9.7
123.04447	2.7
123.08059	5.7
124.60013	1.2
129.06998	17.0
131.08588	14.9
133.06493	5.4
133.10127	18.4
135.11674	1.6
137.05998	1.6
137.09637	2.3
141.58310	1.4
142.07784	2.0
142.53235	1.5
145.30370	1.8
146.96649	1.6
147.08035	2.2
147.11710	20.1
149.09630	9.3
153.25479	1.4
157.10124	23.5
163.97632	1.8
164.97791	3.2
165.12770	2.2
167.06966	21.6
175.11188	26.3
179.07034	6.0
193.12230	66.4
211.09526	1.7
211.13258	31.7
211.15089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.79667	0.3
53.03947	1.0
55.01874	3.3
55.05525	16.1
57.03457	3.2
57.07075	0.8
59.05005	1.0
65.03931	0.6
67.05186	0.7
67.05513	16.0
69.03437	6.8
69.07076	7.9
71.04992	3.3
78.04713	0.7
79.05499	17.4
81.03428	62.2
81.06608	0.9
81.07066	23.2
83.04990	30.7
83.08131	0.9
83.08629	25.6
85.02911	0.8
85.06536	2.8
85.07014	0.4
91.05487	18.6
93.07050	14.6
95.04356	0.9
95.04974	23.7
95.08613	15.0
97.02907	2.7
97.06545	3.5
97.10175	5.5
99.04467	0.9
99.08080	2.2
103.05448	1.9
105.04565	0.5
105.07042	15.6
105.53387	0.5
106.04160	0.4
107.04983	5.4
107.08607	10.3
109.06535	6.7
109.10168	22.1
111.04437	2.3
111.08090	9.0
113.06000	0.5
115.05473	0.9
117.06997	0.7
119.04958	0.5
119.08578	16.1
121.06506	6.7
121.10139	8.0
123.04420	4.1
123.08056	5.8
123.11658	3.5
124.05223	0.8
125.09628	2.5
127.07585	0.5
129.06999	8.7
131.08585	10.0
133.06488	4.2
133.10132	10.1
135.11696	16.0
137.05939	0.6
137.09631	4.3
139.11171	0.5
142.07803	1.6
145.10159	0.9
147.08096	3.3
147.11687	12.5
149.05978	12.7
149.09598	6.1
149.13309	0.9
151.07620	1.4
151.11172	2.7
151.14856	2.4
153.12708	0.8
157.10132	13.8
161.05965	1.9
165.12695	3.4
165.95697	0.4
166.06267	1.9
167.07036	100.0
169.10014	0.7
175.11185	14.5
175.14847	4.1
179.07002	3.1
181.08607	10.1
189.66568	0.4
193.08601	2.5
193.12248	33.6
193.15814	4.9
200.90984	0.5
211.09669	2.2
211.13268	17.0
211.15092	0.9
211.16826	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	211.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28330	0.8
50.68385	0.9
55.05529	1.5
60.04542	1.4
60.05651	1.0
65.03949	5.0
67.83439	0.9
68.11446	1.1
70.06601	16.3
72.04523	18.9
72.08164	43.1
74.54028	1.0
79.05504	1.2
81.07050	3.9
94.03751	1.1
97.07680	10.6
98.06026	1.1
100.05070	4.6
101.04922	1.1
102.49439	1.1
105.03390	1.1
112.07613	5.9
114.09175	100.0
115.08683	1.5
121.02895	1.9
121.06496	2.2
137.06001	1.2
140.08192	2.0
140.11803	1.7
141.11356	1.6
149.06001	1.6
151.10909	1.2
152.08200	91.9
152.67468	1.1
157.09723	2.4
167.07024	13.7
169.10843	17.5
179.08260	1.5
181.08615	1.5
211.11958	47.7
211.19125	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	211.0967
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
55.01867	0.8
55.05518	8.0
55.91236	0.7
57.03442	1.3
57.07087	1.2
59.05026	0.8
67.05510	13.1
69.03443	6.4
69.07063	12.8
70.47187	0.8
71.04973	3.0
71.08631	1.1
79.05496	5.0
81.07062	18.2
83.04986	11.1
83.08617	9.5
85.06536	4.9
91.05483	5.6
93.07054	9.3
95.04955	5.0
95.08607	31.5
97.06530	1.3
97.10162	3.4
99.08081	3.6
103.05441	1.8
105.07028	18.8
106.04223	1.1
107.08607	19.9
109.06531	15.3
109.10163	100.0
111.08061	4.0
113.09622	1.7
118.04160	1.5
119.04938	1.9
119.08582	18.3
121.06503	1.6
121.10127	10.2
122.07186	1.1
123.04435	31.4
123.07221	1.2
123.08065	15.0
123.11703	9.0
133.06502	12.1
133.10121	19.6
135.08099	1.3
135.11696	69.3
137.05978	4.8
137.09615	20.9
138.10449	1.2
139.11195	1.9
146.96660	1.1
147.04422	3.9
147.11719	1.3
149.05972	4.5
149.13277	7.1
150.06796	7.5
151.03943	1.5
151.06427	1.4
151.07553	20.7
151.11185	11.0
151.14832	15.2
153.12753	3.9
159.05498	0.8
161.05936	1.9
161.64827	0.8
165.09135	9.8
165.16408	3.3
167.07043	68.9
175.14807	26.3
179.07037	81.6
181.08553	2.7
193.08603	22.6
193.15875	21.5
211.09630	14.4
211.16859	3.2
221.00548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
50.04200	0.2
54.08530	0.2
55.01867	0.4
69.07060	0.4
69.63042	0.2
75.76260	0.2
78.04711	0.6
79.05491	1.2
79.42842	0.2
91.05486	1.3
92.18447	0.2
93.07047	1.1
95.04977	1.2
95.08591	0.6
103.05444	0.5
104.00214	0.3
105.07028	4.2
106.04164	1.2
107.04949	0.6
109.06506	1.0
118.04135	0.6
119.04909	0.5
119.08666	0.3
121.06486	1.5
123.04435	7.0
123.08032	0.5
124.05223	1.1
125.09562	0.3
132.27054	0.3
133.06506	3.5
133.10115	0.6
135.08063	0.5
137.05954	1.0
137.09631	0.3
147.04410	0.4
147.16367	0.2
149.05994	2.3
150.06752	2.1
151.03860	0.5
151.07542	3.8
152.04681	1.0
161.05986	0.5
165.09113	2.5
167.07034	100.0
178.71066	0.2
179.07036	13.6
179.08629	0.5
181.08604	2.3
183.19418	0.3
193.08604	6.9
193.12308	0.3
193.15994	0.4
211.09636	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	211.0967
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
52.03182	0.1
61.16388	0.2
73.87921	0.1
78.04711	0.4
79.05491	0.4
81.07053	0.3
91.05490	0.4
93.07055	0.3
95.04967	0.4
103.05481	0.2
105.03349	0.2
105.07021	0.7
106.04217	0.4
107.04960	1.0
121.06500	0.7
123.04436	2.7
124.05205	1.0
133.06503	0.3
137.06017	0.3
149.05962	1.5
151.03905	0.3
151.07513	0.3
152.04662	0.7
161.05980	0.4
165.09059	0.2
167.07040	100.0
176.01135	0.2
179.06978	0.2
181.08609	0.8
193.08577	1.6
211.09662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
65.90079	0.3
78.04713	0.5
79.05482	0.3
84.05605	0.3
91.05472	4.0
93.07046	6.9
95.04964	1.4
103.05479	4.5
105.07014	1.7
107.04971	0.5
109.10101	0.3
110.43083	0.3
121.06500	13.3
123.04402	3.2
124.05177	1.1
130.78268	0.3
131.04800	0.3
131.06017	0.5
133.06496	2.3
133.25107	0.3
134.03625	0.3
137.05984	0.4
137.74098	0.3
142.29041	0.3
143.06131	0.3
143.90530	0.3
149.05981	26.5
151.03891	0.4
151.09511	0.4
152.04752	0.6
155.54031	0.3
161.05971	3.3
163.05750	0.3
166.06233	4.7
167.07031	100.0
179.06996	0.5
180.07799	1.5
181.08591	23.2
191.38931	0.3
193.08615	0.7
208.12128	0.3
211.09644	3.6
211.12700	2.4
217.50250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0968
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
57.03431	0.4
62.29303	0.2
71.06718	0.2
78.04711	0.7
78.26865	0.1
79.05483	0.7
81.03386	0.2
81.07066	0.2
83.04966	0.2
85.77753	0.2
87.24022	0.2
91.05480	0.4
93.07052	0.4
95.04971	0.4
96.05653	0.2
103.05482	0.2
105.07033	0.4
106.04182	0.6
106.21063	0.2
107.04940	0.9
119.04920	0.2
121.06490	0.9
123.04418	2.5
124.05199	1.1
133.06497	1.1
137.06023	0.3
149.06006	1.7
151.03922	0.4
151.07555	0.7
152.04669	0.9
166.06271	0.3
167.07036	100.0
179.07024	3.0
181.08598	1.4
193.08627	2.5
211.07706	0.2
211.09653	1.1
211.11363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
55.01868	2.2
56.87747	0.9
57.03443	1.9
57.49266	0.9
67.05516	1.3
67.61253	1.0
77.85864	1.0
79.05498	13.3
86.09711	5.0
87.46568	1.0
91.05493	13.0
93.07024	4.2
95.04969	5.8
95.08615	1.3
103.05495	10.1
104.06245	1.7
105.07040	55.1
107.04966	4.8
108.05728	2.0
109.06525	6.1
115.05436	4.1
118.04167	15.9
119.04977	11.2
120.05733	2.1
121.06506	5.2
122.07279	4.2
123.04424	11.8
123.08082	8.7
124.05211	5.1
125.05982	1.4
131.04898	2.0
133.06506	56.5
134.07292	2.1
135.04401	6.4
135.08070	14.1
137.06007	15.9
146.03632	5.0
146.57487	1.1
147.04396	2.4
148.05164	1.7
149.05933	8.3
150.06776	38.7
151.07555	19.6
151.13098	1.3
161.05981	11.1
163.07576	1.6
165.09122	41.8
167.05620	2.2
167.07037	58.0
178.06291	4.9
179.05579	1.3
179.07056	30.4
181.08621	2.3
193.08617	100.0
211.09653	24.9
211.14516	1.9
211.16267	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	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
58.43604	0.1
60.12072	0.1
67.05495	0.1
78.04704	0.7
79.05481	0.7
91.05442	0.4
93.07047	0.6
94.64148	0.1
95.04971	0.2
97.74067	0.1
101.73513	0.1
103.05528	0.4
105.07029	0.4
106.04161	0.6
107.04948	0.9
110.15308	0.1
119.04922	0.2
121.06510	0.8
123.04411	2.3
124.05230	1.0
131.26941	0.1
133.06485	0.7
134.03693	0.2
135.60582	0.1
137.05994	0.3
148.00734	0.1
149.05983	1.7
151.03900	0.5
152.04735	1.0
161.05974	0.8
166.06328	0.2
167.07034	100.0
179.06911	0.4
181.08583	1.3
193.08601	1.6
211.09853	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.03388	0.3
63.88096	0.2
72.76223	0.3
78.04721	0.3
79.05495	0.5
91.05480	4.5
93.07040	9.1
93.42474	0.3
95.04960	2.0
103.05479	4.7
105.04539	0.4
105.07047	2.4
106.04181	0.6
107.04972	0.5
111.15382	0.3
115.05498	0.3
118.53162	0.3
119.04948	0.6
121.02874	0.6
121.06502	17.0
123.04455	2.5
124.05168	0.4
133.06506	3.1
137.05962	3.1
147.04445	0.4
149.05981	32.3
151.03951	0.6
151.07507	0.3
152.04697	1.1
161.05966	4.7
165.05475	0.4
166.06270	6.2
167.07030	100.0
180.07796	1.5
181.08585	27.6
193.08510	0.6
211.09625	5.3
230.15028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
57.21608	0.1
61.11191	0.2
78.04705	0.7
79.05494	0.3
81.07049	0.5
83.05013	0.2
85.62569	0.2
91.05478	0.4
93.07052	0.4
95.08584	0.8
105.07014	0.4
107.04950	0.9
108.15103	0.2
109.06509	0.5
109.10149	1.5
119.04897	0.3
121.06487	0.9
123.04435	1.6
124.05219	0.4
133.06482	0.4
133.10098	0.3
135.11661	1.0
137.05994	0.3
138.54182	0.2
149.05946	1.7
152.04713	1.0
161.05963	0.8
167.07030	100.0
175.14867	0.2
179.07191	0.2
181.08580	1.3
193.08606	2.0
193.15817	0.3
211.09593	0.3
218.04065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14049	0.7
55.64176	0.7
56.96565	4.1
57.03436	1.8
61.71393	0.8
67.05497	1.1
72.79414	0.8
79.05485	0.9
81.07065	1.5
91.05475	1.8
93.07044	1.5
95.04958	1.2
95.08604	1.1
98.15546	0.9
103.05467	1.5
105.07040	1.5
109.10141	1.3
119.95702	0.9
121.06501	6.0
123.04430	1.7
137.06012	0.9
149.05992	11.7
151.07491	1.5
152.04666	1.3
155.77951	0.9
161.06007	1.4
163.97774	1.2
166.06204	1.6
167.07039	100.0
174.10875	0.9
179.07051	4.2
181.08574	8.3
187.99289	0.8
210.09180	0.8
211.09587	4.1
211.14856	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	211.0968
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
50.61035	0.2
55.01880	0.2
55.05525	0.2
56.96560	0.3
57.03443	3.4
59.73838	0.2
61.98330	0.2
62.65113	0.2
66.35175	0.3
69.07015	0.2
71.38835	0.2
73.43343	0.2
77.03930	0.2
78.04684	1.0
79.05503	0.6
81.07061	0.2
82.00079	0.2
91.05474	1.9
93.07037	2.1
95.04938	1.1
95.08606	0.4
103.05459	1.5
105.04513	0.3
105.07014	1.3
106.04128	0.4
107.04947	0.6
107.08624	0.3
108.03228	0.3
109.10153	1.7
121.06511	5.6
123.04430	3.4
123.08048	0.4
124.05193	1.2
133.06474	2.0
133.10165	0.3
135.11688	1.0
137.05992	0.6
137.09573	0.4
149.05978	10.4
149.07124	0.5
151.03941	0.9
151.07556	0.5
152.04727	1.8
161.04692	0.3
161.05934	2.0
163.97722	0.3
164.97690	1.1
165.05423	0.3
165.09044	2.0
166.06242	0.6
167.07031	100.0
170.03589	0.3
179.07047	1.6
180.07822	0.3
181.08592	7.9
181.10097	0.4
193.08664	2.2
211.07552	1.0
211.09653	2.2
211.11404	0.3
218.91277	0.3
223.87152	0.3
226.87605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
70.06573	2.0
72.78248	0.4
84.08154	3.5
88.02158	0.4
91.17776	0.4
99.09227	2.3
112.11246	55.5
114.42647	0.4
126.52003	0.4
184.48230	0.5
189.07735	0.6
210.19658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1604
Annotation	Dimethirimol
Peak:m/z	Relative Intensity
50.88441	0.9
51.12782	0.9
53.37606	0.9
55.01870	7.5
55.05511	1.7
56.63405	0.9
57.07082	1.7
59.05005	1.9
60.05659	100.0
65.51256	1.0
67.05514	26.6
67.41605	0.9
69.07081	36.7
69.13493	1.0
70.68880	0.9
79.05499	4.8
80.05020	4.9
81.07066	32.2
83.04971	6.8
84.05627	2.2
85.06543	6.7
91.05482	9.4
92.17868	1.8
93.07023	4.8
95.04952	1.7
95.08602	5.3
105.07047	11.9
107.08615	5.6
109.06533	1.3
109.10146	4.8
110.07218	1.3
123.11708	11.0
125.09513	5.5
126.10303	1.8
128.08211	1.9
128.58527	1.2
133.10144	7.7
145.96678	4.9
150.12784	5.4
150.86714	1.4
163.97708	2.8
164.00862	1.2
170.24010	1.2
175.09816	5.2
192.14970	25.2
209.05861	1.7
210.06134	1.3
210.16046	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.128
Annotation	Unknow
Peak:m/z	Relative Intensity
72.09758	0.2
210.12790	100.0
226.70461	0.2
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
53.00591	0.3
54.28956	0.3
55.02997	1.0
55.05504	0.8
60.05655	1.6
65.03949	0.5
67.05497	3.0
69.03423	0.5
69.07071	0.9
71.05026	0.3
72.08136	0.8
81.07074	0.4
83.04963	1.0
84.05636	18.9
84.82729	0.4
85.06431	0.4
91.05469	0.6
93.07058	0.7
93.45115	0.4
94.06540	0.5
95.04948	0.5
95.08611	7.7
96.05627	9.3
96.08104	0.5
97.06400	0.7
98.07195	5.9
104.10744	0.5
105.07026	0.9
107.01308	2.3
107.08616	0.6
109.10155	0.5
110.03538	11.7
110.07187	6.3
117.05753	0.6
118.37141	0.4
121.10131	0.4
122.07208	0.5
124.08716	2.6
128.04568	75.7
129.02609	8.3
129.03477	0.8
132.08092	5.4
132.95834	0.5
133.06326	0.4
133.10117	2.0
136.08679	1.7
138.10260	0.8
145.96678	3.1
147.09203	0.4
150.10283	2.3
151.03918	7.3
154.09712	1.9
158.56264	0.8
163.97679	3.0
164.11876	3.0
167.07042	0.8
174.10284	12.2
178.05106	0.4
180.14937	1.9
180.57593	6.7
192.06554	0.5
192.09752	0.7
192.11353	17.2
192.14964	3.3
193.08635	0.6
210.12526	2.7
210.16022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30691	0.1
55.33665	0.1
56.05021	0.2
56.42725	0.1
57.04564	0.2
57.50085	0.2
59.15400	0.1
60.05646	0.2
66.13536	0.1
67.05505	0.2
79.05505	0.2
84.05631	13.2
85.06390	1.1
94.06583	0.3
95.04953	0.3
96.05653	1.5
97.07610	0.2
98.06061	0.2
105.07020	0.3
107.84264	0.2
111.04444	0.3
120.08089	0.2
120.13283	0.2
122.06031	0.2
122.09652	3.2
122.37064	0.2
125.06020	0.4
132.08058	1.0
132.95805	0.7
133.06511	0.7
136.08659	0.8
145.96632	1.8
147.09103	0.2
150.03043	0.2
150.06458	0.3
150.09140	15.1
150.96887	0.3
163.97722	2.0
164.11827	9.3
165.10313	0.2
165.56541	0.2
167.07013	0.2
169.05051	0.2
174.10300	0.2
182.12885	8.5
186.99257	0.4
191.97266	0.4
192.11339	3.7
210.12378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10435	0.1
54.27369	0.2
56.05036	0.4
60.25708	0.2
76.63305	0.2
79.05479	0.3
84.05636	12.8
85.06393	1.0
86.06062	0.2
86.09218	0.2
88.51709	0.2
94.06538	0.4
94.34730	0.2
96.05634	1.8
105.07027	0.3
122.06832	0.3
122.09668	3.4
132.08109	0.4
132.95834	0.8
133.06488	0.3
136.07706	0.2
136.08704	0.9
145.96672	1.2
150.09143	14.8
150.96855	0.4
163.97726	1.6
164.10669	0.3
164.11835	9.6
167.07057	0.4
168.10216	0.3
178.05774	0.3
182.12901	8.8
186.99310	0.8
192.11380	4.9
210.12386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1239
Annotation	4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
Peak:m/z	Relative Intensity
55.05488	1.2
56.05031	0.9
56.97697	0.7
57.05830	0.9
57.40202	0.8
57.48718	0.7
60.05390	0.7
60.05655	6.2
60.68652	0.7
67.05496	5.4
68.05011	1.2
68.67765	0.7
69.07070	12.4
70.06581	4.6
72.08165	1.9
72.74880	0.8
79.05490	1.9
81.05798	1.4
81.07059	1.9
82.06589	1.2
83.07398	0.8
84.05634	45.0
86.06068	0.8
91.05460	1.9
93.07054	1.0
93.56160	4.7
94.06532	1.9
95.04917	1.2
95.08572	3.3
96.04503	0.9
96.05621	9.7
96.08137	15.1
98.09730	1.1
99.04446	0.9
99.05766	3.5
99.56161	3.6
100.06552	5.3
101.07338	7.9
103.05442	1.1
105.07036	9.3
106.04162	1.3
106.06585	1.2
106.56950	4.4
107.04494	1.0
107.07368	7.5
107.08570	4.5
111.07932	1.8
114.08105	11.9
115.28214	0.9
115.57477	1.1
120.08120	8.5
121.06511	1.1
121.08880	1.5
122.06837	3.0
122.09654	3.6
123.08664	8.1
124.08737	1.3
126.12781	1.9
127.59253	4.3
132.08052	3.7
133.06485	16.0
134.09651	3.6
135.10448	26.0
135.60609	3.5
136.08708	4.9
138.10236	7.1
144.08095	7.4
145.96732	1.4
146.09604	3.6
148.11183	1.2
149.05992	0.8
150.06322	3.5
150.09145	13.9
150.12660	0.9
158.09653	13.8
159.10226	1.1
160.11157	1.1
163.97702	1.9
164.11946	0.7
167.07185	0.9
168.10170	6.2
169.04935	1.5
170.09686	6.2
171.10414	1.0
172.11205	1.0
174.12778	6.3
182.09625	1.1
184.11215	1.3
186.11433	3.2
192.11336	9.0
192.14932	1.9
198.61238	4.7
201.13914	9.9
210.09091	4.7
210.12390	100.0
210.15863	20.6
213.13969	1.2
214.14285	0.8
226.15868	2.0
227.15450	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	210.1239
Annotation	4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
Peak:m/z	Relative Intensity
51.14311	0.2
53.03373	0.2
55.01861	1.7
55.05507	1.1
56.05029	0.4
57.07059	0.4
57.14725	0.2
59.05000	0.4
60.05655	33.9
63.69510	0.2
65.03951	0.5
67.05184	0.4
67.05511	8.1
68.05004	0.4
69.03430	2.5
69.07071	6.4
70.06582	0.4
72.05644	2.2
72.08134	1.1
79.05504	3.2
80.05024	4.8
81.03426	0.5
81.07065	9.2
81.39697	0.3
82.06582	1.2
83.04961	1.4
83.08665	0.3
84.05627	6.5
84.08139	0.4
85.06520	2.0
85.94620	0.5
86.06061	0.5
88.12588	0.3
90.45250	0.3
91.05466	2.7
92.18451	0.5
93.07025	2.4
94.06568	17.8
95.04965	1.6
95.07330	1.5
95.08617	2.4
96.05614	2.2
102.05511	0.3
105.07035	24.7
105.27226	0.3
106.06549	0.3
107.04927	0.3
107.08585	5.1
108.08124	0.5
109.06496	0.5
109.10164	2.0
110.00374	0.3
110.07143	1.2
111.07970	0.3
116.97250	0.4
119.06060	3.1
120.08044	0.4
121.06486	0.7
121.10084	0.3
122.07146	0.4
122.09672	19.0
123.08004	1.2
123.11732	3.0
124.05056	1.7
124.08731	0.7
125.05945	0.4
125.09496	4.1
126.10271	1.8
127.95580	0.5
128.08179	0.6
131.03397	0.3
132.06799	1.3
132.08104	1.1
133.06497	2.8
133.10141	2.4
136.08693	1.6
137.09438	0.6
138.10240	0.4
138.42094	0.3
145.96664	1.5
147.09161	4.2
148.07503	0.5
150.09145	26.1
150.12752	3.7
151.07570	0.6
163.97687	2.3
164.10616	0.3
164.11833	1.5
166.13402	0.6
167.07080	0.4
168.10185	18.0
175.08633	1.2
181.98778	0.3
186.99306	0.5
192.11406	2.8
192.14960	14.4
193.09756	0.5
195.48045	0.3
210.12398	100.0
210.15974	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.2
62.06097	0.4
65.03966	0.3
70.06599	0.5
72.04519	0.5
72.08158	0.4
74.06076	0.4
77.83420	0.2
79.05492	0.3
80.36780	0.2
81.55105	0.2
84.08141	0.3
85.94636	0.2
91.05505	1.0
93.03385	0.3
93.07049	0.3
94.05164	0.2
95.01323	2.6
95.04963	0.4
101.06105	0.2
103.05453	2.1
105.07037	3.3
107.04933	1.6
110.06058	0.5
111.04454	0.5
117.07023	0.5
118.06544	1.4
119.07347	2.0
120.00636	0.2
120.08103	3.6
121.06493	2.1
122.03150	0.8
122.05985	0.4
125.05973	0.4
129.07007	2.9
131.04924	1.2
136.07610	0.4
144.08049	0.3
145.96640	2.0
146.05995	0.5
146.09663	5.2
149.06001	0.5
150.05460	1.1
150.96829	0.3
151.03891	0.3
163.97711	2.0
164.10707	100.0
167.07042	1.0
168.95795	0.2
169.04926	0.9
174.05511	0.4
182.09409	0.5
186.99294	0.5
192.06551	1.2
192.10201	1.2
193.10898	0.5
193.25375	0.2
210.05844	0.3
210.07655	1.3
210.11244	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1902
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
53.49771	2.3
55.01884	9.4
55.05524	34.6
56.35571	2.2
57.03445	5.7
57.07076	13.9
59.36471	2.1
61.18759	2.0
62.69991	2.3
67.05518	35.2
69.06700	3.4
69.07074	99.8
71.04995	10.2
71.08635	5.6
71.88693	2.1
72.59303	2.0
75.00422	2.4
78.18394	2.2
79.05499	20.0
79.66251	2.2
81.06599	3.4
81.07066	54.5
83.08633	44.7
85.06561	5.6
85.10167	2.8
91.05476	4.9
93.07050	32.9
95.04973	2.9
95.08615	60.5
97.06534	15.7
97.10188	27.7
99.08102	11.1
102.28703	2.3
103.05483	4.0
107.04947	4.0
107.08614	37.7
109.06516	5.1
109.10172	46.9
111.08084	14.3
111.11751	17.1
117.03336	2.7
117.95979	97.0
118.96769	10.7
121.06503	14.3
121.10143	56.9
123.08015	2.8
123.11708	20.1
123.97400	3.0
125.09607	13.0
126.97190	3.5
135.08066	21.3
135.11705	53.2
135.97055	22.6
137.13232	3.7
139.11200	4.2
145.00966	10.4
149.06000	16.9
149.09621	3.6
149.13295	18.1
163.01950	3.5
163.14825	4.3
167.98633	4.8
177.05487	26.7
185.97452	4.1
185.99750	11.1
191.07030	4.6
191.14301	2.9
191.17958	96.3
209.08127	12.0
209.15404	3.1
209.19011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1901
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
55.05291	2.2
55.05524	35.1
55.95487	1.5
57.03447	4.4
57.07090	14.7
59.72767	1.5
66.06764	1.5
67.05515	25.1
69.06700	3.9
69.07073	100.0
71.04977	8.7
71.08622	3.6
74.37491	1.5
79.05505	17.6
81.06609	2.1
81.07066	37.0
83.04954	2.8
83.08629	41.1
83.19600	1.6
85.06541	3.6
93.07050	29.0
95.08607	43.4
97.06541	16.7
97.10171	25.7
99.08091	9.7
101.65044	1.7
107.08605	30.4
109.10152	43.6
111.08073	9.8
111.11723	15.5
113.09650	7.3
115.12192	1.9
117.95979	16.0
121.10156	46.7
123.11707	11.8
125.09637	7.1
135.11703	48.9
135.97093	2.4
139.11192	9.5
149.13254	22.1
153.12755	3.4
168.78706	1.7
191.17953	73.0
192.55452	1.7
199.94437	1.8
209.19002	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.8
55.01867	9.3
55.05523	59.5
58.35543	1.9
59.05008	2.4
67.05507	12.6
69.03434	12.9
69.07065	9.9
71.04997	5.2
72.08160	3.8
75.04501	2.4
76.37807	2.0
79.05512	9.6
81.07052	12.4
83.04987	83.4
83.08625	40.9
85.02920	2.7
85.06553	4.2
88.00204	2.0
90.70895	2.1
90.75500	1.7
90.83642	2.1
91.05476	25.3
93.03409	14.3
93.07062	24.5
95.04974	28.5
95.08607	20.3
97.06518	17.9
97.10174	19.2
99.04465	5.0
99.08092	13.0
103.05481	3.8
105.07036	10.9
106.04192	27.6
107.04949	5.1
107.08613	45.7
109.06536	19.6
109.10171	31.6
111.04438	2.9
111.08083	14.0
113.06004	4.6
113.71864	2.5
117.95970	2.4
119.08588	5.4
121.06515	41.6
121.10145	36.1
123.08067	3.0
123.11697	18.0
125.06009	14.2
125.09631	86.7
131.04976	2.8
131.08554	11.1
133.10179	22.2
135.08043	20.3
135.11719	7.5
137.06006	3.8
137.09621	2.3
139.07585	2.6
139.11241	2.7
144.95871	9.1
145.10130	4.5
147.11653	3.2
149.05981	50.0
149.09628	56.3
149.13268	21.7
150.03116	3.0
151.10010	4.2
151.11194	72.0
153.05550	2.4
153.09114	33.0
163.07607	2.9
163.14859	16.0
167.07048	10.8
167.14325	73.0
167.97487	2.9
173.13249	18.8
177.05458	22.5
181.08630	13.5
191.06978	2.8
191.14319	29.7
209.04459	8.4
209.08055	18.3
209.11496	8.5
209.13339	3.9
209.15373	100.0
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
51.38925	0.1
55.01884	1.4
55.05523	0.3
57.03451	0.2
57.07088	3.9
59.05016	0.3
65.03954	0.4
67.05507	1.4
69.03441	1.0
69.07079	1.4
71.05001	2.3
73.50562	0.2
75.04487	0.2
79.05490	1.4
81.07069	2.5
81.73248	0.2
81.91431	0.1
82.94868	0.2
83.04980	0.9
83.08624	1.0
85.02914	0.3
85.06544	0.8
91.05481	2.3
93.03412	1.1
93.07052	2.8
95.04967	3.0
95.08612	4.4
97.06544	1.5
99.08089	0.3
103.04864	0.1
103.05462	1.3
105.04515	0.2
105.07037	2.5
106.04173	3.3
107.04961	0.6
107.08604	5.2
109.06523	100.0
109.10160	8.6
111.08088	1.8
113.09656	0.2
117.07029	0.8
117.95987	1.8
119.08590	0.8
120.21713	0.2
121.06512	5.0
121.10143	3.0
123.08070	10.2
123.97461	0.3
125.05985	1.1
125.09616	0.8
126.97218	0.2
127.26070	0.2
129.99445	0.2
131.04910	0.8
131.08585	4.5
133.10135	3.1
134.03644	0.3
135.08063	27.3
135.11681	0.6
135.97009	0.2
137.05902	0.2
137.09583	0.8
139.07545	0.3
139.11179	0.8
144.94846	0.2
144.95833	1.3
145.02866	0.2
145.10144	1.1
147.08057	0.3
147.11684	1.5
148.05205	0.4
148.08870	0.5
149.05991	6.2
149.09625	3.2
149.13239	2.3
150.10393	1.0
151.07576	0.3
151.11179	3.7
153.05507	0.3
153.07971	0.3
153.09116	5.6
158.10890	1.0
161.09637	0.3
162.96927	0.2
163.03923	0.2
163.07494	0.2
163.11086	0.2
163.14784	0.8
165.06914	0.2
166.06358	0.2
166.07790	0.2
167.97404	0.6
173.13264	6.9
176.11980	0.3
177.05467	4.5
181.08591	1.3
181.10039	0.2
191.07034	0.3
191.14310	27.8
209.08038	2.2
209.09743	0.3
209.13438	0.6
209.15352	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03965	1.8
55.01867	9.3
55.05523	59.5
58.35543	1.9
59.05008	2.4
67.05507	12.6
69.03434	12.9
69.07065	9.9
71.04997	5.2
72.08160	3.8
75.04501	2.4
76.37807	2.0
79.05512	9.6
81.07052	12.4
83.04987	83.4
83.08625	40.9
85.02920	2.7
85.06553	4.2
88.00204	2.0
90.70895	2.1
90.75500	1.7
90.83642	2.1
91.05476	25.3
93.03409	14.3
93.07062	24.5
95.04974	28.5
95.08607	20.3
97.06518	17.9
97.10174	19.2
99.04465	5.0
99.08092	13.0
103.05481	3.8
105.07036	10.9
106.04192	27.6
107.04949	5.1
107.08613	45.7
109.06536	19.6
109.10171	31.6
111.04438	2.9
111.08083	14.0
113.06004	4.6
113.71864	2.5
117.95970	2.4
119.08588	5.4
121.06515	41.6
121.10145	36.1
123.08067	3.0
123.11697	18.0
125.06009	14.2
125.09631	86.7
131.04976	2.8
131.08554	11.1
133.10179	22.2
135.08043	20.3
135.11719	7.5
137.06006	3.8
137.09621	2.3
139.07585	2.6
139.11241	2.7
144.95871	9.1
145.10130	4.5
147.11653	3.2
149.05981	50.0
149.09628	56.3
149.13268	21.7
150.03116	3.0
151.10010	4.2
151.11194	72.0
153.05550	2.4
153.09114	33.0
163.07607	2.9
163.14859	16.0
167.07048	10.8
167.14325	73.0
167.97487	2.9
173.13249	18.8
177.05458	22.5
181.08630	13.5
191.06978	2.8
191.14319	29.7
209.04459	8.4
209.08055	18.3
209.11496	8.5
209.13339	3.9
209.15373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.21810	0.4
55.01875	2.9
55.05295	0.7
55.05524	12.7
57.03423	0.8
57.07067	2.2
59.04993	1.1
65.03930	0.6
67.05518	4.3
69.03436	13.1
69.06767	0.4
69.07076	10.3
70.06574	2.1
71.04981	3.2
72.08157	0.6
79.05490	3.2
81.07059	6.6
83.04984	13.2
83.08630	5.5
85.02908	0.6
85.06541	6.2
87.00813	0.9
91.05454	3.2
93.07055	10.2
93.49338	0.5
93.84135	0.7
95.04971	4.3
95.08610	12.2
96.08086	0.5
97.06544	5.6
97.09554	0.8
97.10168	19.0
99.04433	0.8
99.08103	12.7
102.66051	0.5
105.07023	2.9
106.04153	1.1
107.04981	0.8
107.07880	1.0
107.08605	27.9
109.06528	8.3
109.10164	10.2
111.04475	1.3
111.08097	7.2
113.06006	8.5
113.29165	0.6
117.06978	0.7
117.96034	0.7
119.08533	1.3
121.06516	8.1
121.10149	20.1
123.08051	3.3
123.11704	4.2
125.06031	6.5
125.09637	100.0
127.07552	1.2
131.04932	0.8
131.08569	3.6
133.10135	7.7
134.03633	0.6
135.08066	13.2
135.11716	4.7
137.09619	3.1
139.07527	2.7
139.11218	3.8
144.03119	0.6
144.95860	0.9
145.02928	0.7
145.10117	3.3
147.11703	5.1
149.06030	4.5
149.09630	66.4
149.13252	12.8
151.09967	1.2
151.11186	38.0
153.05429	0.6
153.09106	22.2
154.09854	2.5
158.10838	0.7
163.07564	1.2
163.11131	1.3
163.14825	15.4
165.08224	0.6
165.12802	1.1
165.37172	0.6
167.07050	2.2
167.10667	2.3
167.14278	2.1
167.96346	0.8
173.13284	10.6
173.45969	0.6
177.05501	4.6
181.04984	0.7
191.07018	1.3
191.10643	0.8
191.14319	32.5
191.16054	1.2
209.02699	1.9
209.04364	0.6
209.07932	4.7
209.15367	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
54.22480	1.2
55.01873	8.0
55.05521	12.8
57.07077	1.6
59.04988	2.6
65.03955	2.0
65.73109	1.3
67.05504	6.2
69.03439	14.2
69.07057	11.0
71.04999	3.3
72.08158	2.1
75.04486	3.1
79.05485	2.4
81.07052	8.6
83.04987	14.7
83.08617	8.2
85.02890	3.3
85.06544	11.8
91.05485	14.7
93.03396	14.1
93.07043	19.3
95.04942	10.8
95.08624	16.8
96.08890	1.6
97.06528	6.8
97.10168	15.7
99.08089	12.9
101.12251	1.5
103.05464	10.1
105.04481	2.1
105.07027	6.9
106.04174	31.6
107.04959	2.6
107.08604	25.2
109.06512	9.2
109.10162	12.3
111.04454	2.4
111.08061	8.3
113.05984	3.5
116.78983	1.5
117.03371	2.4
119.08538	1.8
121.06506	39.1
121.10146	22.9
123.08054	2.9
123.11722	2.0
123.97441	1.9
125.06020	15.4
125.09628	100.0
131.04935	6.1
131.08577	6.4
133.10120	10.4
134.03624	2.6
135.08069	13.9
135.11702	5.6
137.05981	3.0
137.09624	3.4
138.06711	1.8
139.07556	6.4
139.11205	3.2
143.76849	1.6
144.95871	1.7
147.11659	7.0
148.05188	3.5
149.05971	51.4
149.07094	1.7
149.09624	65.5
149.13249	14.4
151.10022	1.8
151.11188	41.7
153.05496	2.7
153.09099	32.6
154.09866	2.0
159.04431	6.7
163.07504	3.1
163.14796	15.0
166.06326	1.7
167.07027	12.7
167.10703	3.4
167.14316	3.6
173.13297	11.6
177.05461	35.6
181.08620	9.1
185.97488	1.9
191.14345	27.5
209.08069	23.2
209.15379	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	209.1175
Annotation	Isoelemicin
Peak:m/z	Relative Intensity
51.22311	2.1
51.26652	1.7
55.01882	32.1
57.03428	2.3
59.67790	1.9
61.14583	2.0
65.03944	2.8
67.05525	3.1
69.07079	3.2
75.04465	3.1
76.93331	2.3
79.05490	9.1
79.29046	2.2
81.07055	4.3
82.94865	2.8
85.02924	2.6
91.05501	15.8
93.03387	10.5
93.07048	31.0
95.04948	9.8
103.05451	21.1
106.04155	20.2
107.04962	8.8
107.08577	12.7
109.01421	2.5
109.06539	2.2
111.04443	81.3
117.03395	4.6
117.07011	3.6
117.95980	69.1
118.96732	3.9
119.04971	3.0
121.02910	3.5
121.06502	57.0
123.97426	3.6
125.00312	2.1
125.06000	21.0
126.97161	3.4
131.04964	17.9
131.08557	3.3
134.03619	3.2
135.04434	8.1
135.08031	35.8
135.97044	9.4
144.95923	2.9
145.01028	7.4
145.02838	12.5
147.04453	2.7
148.05174	2.5
149.05971	70.4
149.09612	11.5
149.13220	2.3
150.10368	2.9
151.11205	4.7
153.05461	73.3
153.06630	4.4
153.09090	3.4
159.04407	2.8
163.07541	9.0
166.06239	3.6
167.07019	5.0
167.10606	14.8
167.96359	8.3
168.10788	2.8
177.05469	71.3
177.09004	19.4
181.08594	12.6
185.97449	4.1
185.99767	4.2
191.07033	17.5
191.14302	2.3
209.08156	40.4
209.09872	4.8
209.11711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03948	4.1
55.01616	2.1
55.01880	55.0
55.05518	4.2
57.03451	2.9
59.04997	1.9
65.03949	2.2
67.05514	39.3
69.07070	7.9
71.04967	2.5
73.02922	2.1
74.16816	1.7
79.05502	24.6
81.03426	20.0
81.07056	37.7
83.04527	2.9
83.04987	58.0
83.08619	8.8
84.42363	1.7
85.02908	3.9
85.06521	3.4
91.05486	24.5
93.03399	4.4
93.07049	48.2
95.04997	14.0
95.08596	13.1
97.06556	15.7
99.04461	10.2
99.08104	3.5
103.05467	12.0
105.07018	7.7
106.04193	12.8
107.04944	19.3
107.08607	24.2
109.06516	3.9
109.10149	7.3
111.04448	100.0
111.08083	40.6
117.03379	2.1
117.07015	12.0
117.95969	10.7
119.08601	14.6
121.06504	47.7
121.10143	25.4
121.65477	1.9
123.04444	7.1
123.08062	2.9
125.05981	21.9
129.07033	4.1
131.04927	8.2
131.08591	18.8
133.10196	2.5
134.03644	4.0
135.08060	9.1
135.11699	33.5
137.05920	2.6
144.46097	2.0
144.95920	2.2
145.02846	14.8
145.06534	3.6
145.10136	27.7
147.04399	2.2
147.11702	2.9
148.05212	7.6
149.05983	51.4
149.09624	23.8
149.13231	2.7
151.03871	3.8
151.07576	3.3
153.05464	24.3
153.09076	3.7
153.12727	19.0
155.08597	4.0
161.33376	1.9
163.03926	2.9
163.07550	3.2
163.11183	63.5
167.07002	3.6
173.09636	20.4
177.05484	45.2
181.04938	24.5
181.08598	11.0
181.12239	24.6
191.07002	16.0
191.10677	63.6
209.04420	2.4
209.08096	28.8
209.09639	2.5
209.11682	59.7
209.13304	4.9
209.15137	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	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.04999	0.6
53.03955	1.7
55.01885	20.4
55.05289	1.2
55.05523	25.2
56.68832	0.7
57.03437	5.5
57.07071	3.0
65.03920	1.8
67.05514	34.0
68.62863	0.8
69.03432	2.0
69.07072	21.5
69.37601	0.7
71.04993	5.3
71.07716	0.8
73.02909	4.0
79.05501	57.2
79.88213	0.8
81.03427	7.0
81.07063	43.0
83.05000	10.4
83.08631	21.7
85.06571	1.3
91.05486	19.2
93.03392	3.8
93.07047	88.7
95.04967	21.7
95.08609	100.0
97.02896	8.4
97.06532	7.3
97.10171	1.2
99.04454	10.5
99.08077	0.8
103.05473	5.8
105.07048	13.5
106.04176	1.7
107.04961	23.0
107.08601	64.5
109.06521	12.2
109.10172	7.1
111.04439	4.2
111.08058	3.8
113.06030	1.7
117.07021	23.7
117.95994	27.6
119.08571	18.1
121.06505	25.8
121.10142	25.2
123.08098	1.6
123.97488	1.0
125.05999	8.4
126.97219	3.7
130.07820	5.9
131.04944	1.6
133.10118	5.7
135.08128	6.7
135.11697	93.0
135.97005	6.0
139.07532	3.2
143.08499	1.2
144.95848	1.1
145.02849	1.9
145.10124	63.8
149.06000	14.8
149.09671	0.9
153.05536	1.3
153.09109	1.0
153.12706	1.1
162.03111	1.1
163.11177	78.5
167.96436	3.7
167.98692	0.9
173.05927	0.8
173.09625	2.0
177.05486	16.2
181.08667	1.7
181.12274	3.2
181.49654	0.8
185.97478	1.0
185.99713	1.0
191.06995	3.5
209.08057	7.0
209.11552	1.6
209.13333	3.5
209.15245	1.7
227.12903	7.2
227.14917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.2
55.54809	0.1
57.03452	1.9
75.04489	1.0
79.05493	0.2
91.05479	0.2
93.03448	0.1
93.07069	0.3
95.04968	2.6
103.05477	0.2
106.04184	0.7
107.04964	16.9
107.08601	0.6
117.95950	0.3
121.06520	1.1
135.08061	100.0
145.02815	0.3
145.97250	0.1
149.05988	1.3
177.05449	0.7
181.08551	0.2
209.08142	0.8
209.11729	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	209.0811
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
50.23338	1.5
55.01879	13.4
55.05507	2.2
56.66237	1.5
58.68097	1.6
59.05005	2.4
60.62817	1.8
61.82336	1.6
65.03944	3.5
67.05492	1.7
69.03429	1.7
69.07078	3.4
69.85899	1.6
71.04987	2.1
75.04482	10.1
78.04711	3.0
79.05533	1.8
81.07072	4.3
82.94830	1.7
85.02907	4.2
89.03924	2.2
89.06033	2.9
91.05483	25.0
93.03419	27.2
93.07042	19.1
95.04974	23.9
96.08138	15.6
97.06532	11.3
99.04446	2.6
103.05472	20.9
105.04504	2.9
105.07028	2.7
106.04183	63.3
107.04957	3.7
107.08562	3.2
108.05804	2.1
109.06516	13.3
109.10165	3.2
113.10781	9.8
117.03370	2.1
117.06995	2.1
117.95979	7.9
119.05000	2.1
121.06512	75.7
121.10179	7.2
123.08103	2.6
123.97495	2.7
125.05993	18.3
126.97177	2.1
131.04950	7.7
131.54149	2.4
133.10138	12.4
134.03648	6.6
135.04457	3.1
135.08023	2.8
135.11725	3.2
137.06000	8.8
137.09569	3.7
139.07539	3.4
139.11246	1.9
144.95876	2.5
145.02849	3.6
145.10097	2.0
148.05215	10.2
149.05997	100.0
149.09651	16.5
149.13332	3.1
151.07541	3.1
151.11203	3.7
153.05452	8.1
153.09108	25.1
159.04446	2.9
163.07544	3.9
163.14780	2.4
166.06253	2.9
167.07047	3.1
167.96397	7.2
173.13284	3.1
177.05486	52.4
181.08623	15.8
181.09944	2.1
189.63368	1.9
191.06998	7.7
191.14267	8.2
209.08038	34.8
209.13512	1.9
209.16579	8.8
229.26559	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0811
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.82304	1.5
55.01886	97.0
57.03447	2.4
58.38287	1.5
63.68870	1.7
66.40514	1.7
79.05476	2.1
89.03905	3.4
91.05510	18.9
93.07048	12.2
95.04943	4.0
103.05478	33.3
105.25211	1.9
106.04180	3.4
107.04961	7.7
117.03392	17.5
118.04156	3.5
119.04974	4.4
120.05749	2.3
121.06505	46.6
125.06032	2.8
131.04930	22.8
131.19032	1.9
134.03647	10.8
135.04391	2.1
138.03084	2.0
145.02846	48.9
147.04430	12.9
148.05222	12.9
149.05989	73.4
153.05470	19.9
159.05504	3.2
162.03148	3.1
163.03931	4.1
163.07602	14.2
166.06247	11.7
176.04701	10.4
177.05472	100.0
177.06947	4.0
181.08606	14.0
191.06998	54.9
193.05020	2.0
194.05762	3.7
209.08101	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	209.0812
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
50.42490	0.4
52.50979	0.4
53.03942	1.2
53.36178	0.4
55.01887	7.1
55.05517	0.7
57.94450	0.5
59.05019	0.4
63.95205	0.5
65.03947	6.1
67.05507	3.4
69.03444	0.8
69.07066	2.6
71.04993	3.0
75.04488	10.4
76.32775	0.6
77.03926	0.8
78.04722	3.5
79.05505	5.3
81.03432	0.9
81.07078	4.7
83.05003	3.5
85.02914	6.9
85.06541	0.9
89.03912	2.4
89.06014	2.3
91.05489	29.1
91.06055	1.2
93.03413	28.3
93.07053	18.8
95.04978	13.4
95.08611	4.1
97.02893	0.6
97.06544	8.9
99.04475	1.1
103.05479	12.9
103.75259	0.5
105.03428	0.7
105.04517	2.5
105.07051	3.4
106.04188	65.1
107.04984	4.1
107.08607	5.4
108.05707	0.9
109.06519	6.3
109.10164	3.2
110.03674	0.5
111.04426	2.8
111.08053	3.9
117.03381	3.0
117.07025	0.7
117.96033	0.9
119.04939	2.8
119.08602	4.1
120.05754	0.5
121.06515	76.9
121.10133	5.0
122.07263	2.3
123.04430	2.7
123.08073	2.3
124.05174	0.9
125.05999	22.9
126.97334	0.5
131.04941	3.6
131.05992	0.9
131.08554	1.0
133.06531	0.6
133.10120	3.6
134.03638	11.1
135.04413	2.8
135.08064	3.1
135.11699	1.2
137.06017	6.1
137.09639	5.8
138.06799	4.7
139.07559	6.1
140.83846	0.6
142.08714	0.6
144.95850	1.9
145.02847	5.5
145.10139	7.6
147.04474	1.0
147.11681	0.9
148.05203	6.2
149.05997	100.0
149.09650	3.3
149.13272	3.3
151.03932	1.0
151.07544	4.1
151.11200	8.3
152.08392	1.9
153.05499	6.1
153.09114	22.3
159.04459	1.2
162.32591	0.5
163.03885	0.7
163.07558	5.1
163.11168	6.9
163.14841	0.9
165.05479	1.9
165.12825	0.6
166.06296	3.7
167.07033	2.5
167.08394	0.6
173.09674	0.7
173.13292	2.6
176.04704	0.8
177.05478	39.0
180.07840	0.9
181.08607	21.0
181.09926	1.1
181.12256	0.6
185.61520	0.4
191.07001	3.9
191.10764	0.6
191.14290	5.8
194.05731	0.9
194.10960	0.7
209.04712	0.7
209.08116	20.8
209.11684	20.1
209.13240	1.5
209.15080	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	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
50.01165	1.1
53.03964	1.1
55.01876	7.1
55.05526	1.2
55.43873	1.2
57.44961	1.0
58.48069	0.9
61.82104	1.3
63.47015	1.0
64.75066	1.1
65.03948	8.3
67.05511	1.6
75.04493	10.5
78.04699	2.1
79.05486	5.2
85.02908	9.4
91.05479	28.2
93.03413	28.2
93.07048	14.4
95.04986	10.6
95.08578	2.2
97.06536	9.2
98.19161	1.2
103.05468	12.7
105.04551	1.3
105.07052	1.4
106.04181	66.1
107.04934	2.9
107.08600	2.7
109.06544	2.0
111.04422	1.5
117.03401	2.2
119.04982	1.4
121.06504	73.7
121.10146	1.5
123.08085	1.5
125.05988	23.0
125.09630	2.9
131.04944	5.0
134.03633	11.4
134.88141	1.3
135.04378	2.1
135.08066	1.8
137.05983	5.6
138.06783	4.3
139.07518	5.6
145.02884	5.8
148.05199	6.1
149.05981	100.0
149.09619	12.0
149.13274	1.3
151.07571	6.2
151.11206	5.2
152.08305	1.3
153.05492	6.5
153.09100	20.6
163.07562	2.9
166.06241	2.0
167.06990	7.9
167.14259	1.7
177.05478	34.4
180.07899	1.2
181.08611	20.1
191.07103	1.7
191.14447	1.7
209.08080	22.1
209.15353	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	209.0811
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.21743	0.6
53.03960	0.6
54.31962	0.6
55.01884	6.5
61.93045	0.7
65.03964	7.0
67.05498	1.8
75.04466	9.7
75.17355	0.7
77.03940	3.9
78.04710	5.6
79.05501	4.7
79.78680	0.7
81.07052	0.9
85.02905	9.6
89.03919	1.5
89.06060	1.0
91.05486	26.8
93.03414	27.3
93.07052	16.0
95.04976	14.3
95.08601	1.2
97.06548	9.6
100.68744	0.8
103.05481	11.7
104.01272	0.8
105.04538	3.3
105.07040	3.8
106.04186	69.7
107.04959	3.8
107.08642	1.2
109.06522	3.9
111.04437	1.2
115.07564	0.7
117.03360	3.5
118.04125	1.0
119.04982	1.2
120.05781	0.9
121.06511	74.5
122.07298	3.4
123.04488	2.7
123.08046	4.0
124.05215	1.0
125.06003	21.6
131.04961	3.8
133.76511	0.9
134.03653	9.1
135.04388	1.1
135.08041	1.0
137.05963	6.7
138.06764	3.4
139.07523	5.5
145.02855	1.9
148.05199	6.9
149.05991	100.0
149.13297	2.9
151.07550	3.9
152.08417	1.3
153.05525	5.5
153.09114	19.4
163.07559	6.4
165.05392	1.3
166.06245	3.2
167.07076	1.4
175.84567	0.8
177.05475	28.2
181.08606	18.5
191.07059	4.6
191.14261	1.3
209.08070	22.0
209.11642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
52.38440	0.5
53.03958	0.6
55.01880	9.0
55.05515	0.9
61.02918	0.6
65.03928	3.5
67.05499	1.4
69.03391	0.6
69.07061	0.7
71.04989	0.9
74.53912	0.7
75.04490	8.0
77.03918	1.1
78.04695	3.6
79.05482	4.0
83.04948	0.6
85.02901	6.9
85.06525	0.8
89.03916	2.6
89.06017	1.5
91.04939	0.9
91.05483	23.3
93.03406	23.5
93.06535	0.9
93.07050	16.1
95.04978	13.0
97.02909	0.6
97.06541	6.9
101.49577	0.6
102.85908	0.6
103.05481	14.8
105.04495	1.1
105.07018	3.4
106.04179	55.6
107.04951	5.9
107.08583	3.5
109.06493	3.7
109.10077	0.6
109.28046	0.6
110.50961	0.6
111.04443	1.1
117.03356	4.9
119.04917	3.8
121.06505	72.1
121.10112	3.7
122.07265	0.8
123.04395	3.1
123.08069	2.5
124.05150	0.9
125.05988	17.8
131.04932	12.1
131.08545	1.5
133.06447	1.2
133.10126	0.6
134.03639	9.4
135.04408	1.4
135.08031	1.0
137.05956	6.6
138.06709	3.6
138.12773	0.7
139.07565	4.6
145.02818	5.7
145.10109	0.9
147.04381	1.2
148.05211	8.6
149.05981	100.0
149.09630	2.5
149.13255	0.8
151.07500	3.1
153.05492	5.9
153.09097	14.0
159.04422	8.0
159.05586	0.9
162.03122	0.9
163.03885	1.1
163.07541	7.0
163.14874	0.9
165.05449	1.2
166.06219	3.2
167.07022	1.1
167.96350	0.9
173.13206	1.4
176.04587	1.4
177.05464	71.9
180.07851	1.0
181.07187	1.1
181.08617	19.2
191.07031	6.3
191.14316	1.0
194.05806	4.8
209.08070	36.5
209.15335	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	209.0812
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
55.01882	43.1
55.05526	2.5
56.24920	2.1
57.03433	2.7
67.05508	12.6
79.05489	5.7
81.07059	14.2
83.08592	2.5
83.95539	2.4
90.94723	2.4
91.05490	25.0
93.03363	3.5
93.07053	34.4
95.04966	17.9
95.08622	5.6
97.06525	3.4
103.05479	30.6
105.07030	4.6
106.04176	13.9
107.04966	15.9
107.08569	4.5
109.06510	4.6
116.73389	2.8
117.03397	6.0
117.95988	74.4
118.96737	3.7
121.06519	60.7
121.10161	5.1
123.97415	3.4
125.06037	5.2
131.04953	19.5
131.08540	4.4
134.03651	9.2
135.97012	15.3
145.00897	3.6
145.02823	24.5
145.10114	2.5
147.04489	6.1
148.05208	6.1
149.05988	76.1
153.05458	5.6
153.12871	2.9
159.04384	10.7
163.07501	5.2
163.11263	3.1
167.08633	3.0
167.96405	5.1
176.04681	5.1
177.05466	100.0
181.08586	16.3
185.97418	4.0
185.99747	5.3
191.07056	23.9
191.14290	3.8
193.05070	3.3
194.05846	4.2
209.08070	55.6
209.11528	4.0
209.13467	6.8
209.15379	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	209.0811
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
55.01646	2.3
55.01884	37.4
83.73717	1.9
84.91682	2.0
91.05486	27.4
91.32033	1.8
93.03381	5.9
93.07046	24.0
95.04962	3.9
95.18349	1.6
103.05477	33.3
106.04172	13.9
107.04934	7.5
117.03420	6.4
117.95979	15.9
119.04911	6.5
121.06511	66.7
131.04929	21.7
134.03635	7.0
145.02829	20.6
148.05197	4.2
149.05991	79.5
153.05479	6.7
153.09109	3.1
159.04387	7.9
163.03911	6.2
163.07584	7.9
164.04657	2.6
166.06273	2.6
176.04694	3.8
177.05482	100.0
180.07903	2.2
181.08598	17.8
191.07014	23.2
194.05791	2.7
206.54810	2.0
209.08078	59.1
211.61349	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0812
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
52.12482	2.7
53.03953	13.7
55.01881	51.2
56.87004	2.5
56.96557	4.8
57.03438	2.6
57.74191	2.7
59.85094	2.7
67.05517	23.4
69.07093	4.9
71.92668	2.8
75.07989	3.1
79.05492	20.4
81.03416	33.5
81.07064	20.4
82.94853	3.5
83.04986	13.4
91.05492	32.9
93.03403	5.6
93.07062	40.2
95.04964	22.4
95.08596	4.7
103.05478	34.1
105.06978	4.3
106.04189	12.9
107.04958	21.0
107.08578	6.1
109.06481	6.4
117.07021	7.3
117.95982	73.4
118.96757	3.6
119.08576	4.3
121.06504	73.0
121.10168	15.1
123.97469	5.6
125.06001	4.8
126.97215	3.3
131.04942	25.8
131.08620	7.0
131.74561	3.1
133.02893	3.8
134.03633	4.8
135.08075	4.7
135.11763	4.5
135.96988	14.9
144.94716	3.5
144.95854	4.0
145.00941	5.0
145.02853	21.4
145.10118	12.4
147.04424	5.9
148.05237	6.8
149.06000	99.5
149.09663	5.0
153.05487	12.6
155.08577	4.4
158.98590	4.4
159.04387	15.3
159.05591	3.5
163.07512	6.8
163.11192	15.8
166.06242	4.5
167.96378	13.0
168.08835	3.7
173.09639	7.0
176.04626	5.4
177.05476	100.0
181.08632	27.8
185.97458	5.2
191.07014	32.0
194.10895	4.0
209.08041	59.9
209.09746	4.5
209.13255	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	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03952	0.9
55.01879	7.2
65.03934	3.9
67.05490	1.7
70.31519	0.8
75.04494	7.3
77.03931	1.5
78.04694	3.8
79.05497	4.0
79.10661	0.7
81.07057	0.9
85.02914	6.0
89.03902	1.2
89.06016	1.2
91.05479	25.2
93.02874	1.5
93.03406	24.6
93.07047	16.7
95.04964	14.6
95.08591	1.2
97.06533	7.8
103.05464	12.7
104.68968	0.8
105.04469	1.0
105.07027	3.4
106.04176	58.6
107.04945	5.2
107.08627	1.3
109.06532	4.6
111.04497	1.3
114.31752	0.8
117.03368	1.9
117.95939	0.8
119.04932	3.2
120.05707	1.1
121.06503	70.8
121.10139	1.3
123.08040	1.4
125.05988	18.7
131.04900	6.0
133.06470	1.1
134.03627	8.4
135.08057	4.2
137.05975	8.1
138.06743	3.5
139.07552	5.4
145.02867	3.7
148.05194	6.2
149.05984	100.0
149.09654	1.9
149.13242	1.1
151.07515	4.6
153.05492	4.8
153.09074	17.3
159.04372	1.1
163.03888	0.9
163.07539	10.8
165.05505	0.8
166.06264	3.9
167.07014	15.0
173.13297	1.3
177.05457	34.7
181.08595	17.6
191.06993	5.9
191.14316	4.1
194.05765	1.0
197.86206	0.8
209.08046	27.5
209.15378	3.4
214.77469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
52.96972	0.9
53.03958	1.5
55.01873	6.7
61.02956	1.0
65.03935	5.2
71.66266	1.1
75.04482	13.3
77.03905	2.5
78.04713	2.0
79.05493	2.5
81.07055	1.3
84.00647	1.1
85.02908	8.6
89.06035	1.5
91.05484	23.7
93.03405	29.7
93.07048	15.9
93.74853	1.1
95.04978	11.5
97.06514	10.3
103.05486	11.4
105.04530	1.4
105.07061	1.7
106.04179	68.3
107.04947	2.7
109.06525	2.2
111.08090	1.4
117.03352	1.8
119.04964	1.8
121.06504	73.3
122.07271	1.3
123.04455	1.7
125.05988	25.1
131.04947	2.0
134.03622	13.3
135.04437	1.8
137.05992	8.2
138.06706	2.0
139.07510	7.7
145.02910	2.0
148.05185	6.6
149.05977	100.0
151.07523	1.7
151.11090	1.4
153.05458	7.0
153.09108	17.8
163.03853	1.1
163.07547	7.5
165.05415	1.5
166.06232	4.4
167.07025	2.0
177.05464	32.2
179.26410	0.9
181.08600	20.4
191.07016	1.8
202.67766	1.0
209.08098	20.9
209.15297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0447
Annotation	3-[(1-Carboxyvinyl)oxy]benzoate
Peak:m/z	Relative Intensity
55.01888	0.5
55.05536	0.4
56.96578	1.6
58.23976	0.3
65.03951	96.2
67.05505	2.9
70.06572	0.4
72.08154	0.8
73.02919	0.7
79.01873	0.9
79.05500	0.7
81.07065	0.4
83.04983	1.4
84.04514	0.4
84.08176	0.7
85.02907	0.4
87.00854	0.4
91.05491	0.7
93.03409	46.4
93.07016	0.4
94.04214	0.5
95.04967	1.6
97.02889	0.7
98.97610	1.4
107.04987	0.5
111.04446	4.6
119.04932	0.7
121.02866	100.0
121.03917	3.1
121.84747	0.3
122.03700	0.4
123.04434	0.4
123.97434	0.7
126.93721	0.4
128.98589	0.5
131.04933	0.6
134.71294	0.5
135.04424	2.0
139.03896	1.6
144.95851	1.9
144.98117	0.6
145.02850	1.5
145.25107	0.4
147.04382	0.5
148.54472	0.4
149.05983	2.3
158.99696	0.8
159.04361	0.5
162.96957	0.5
162.99159	0.4
163.03906	11.0
163.07483	0.5
167.96231	0.5
167.97522	0.4
168.05089	0.4
177.05519	3.4
181.04996	2.2
191.03342	5.0
194.05687	0.4
197.49033	0.3
209.04468	4.5
209.07912	1.1
209.11195	0.5
209.12958	1.4
209.15373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1447
Annotation	Alchornine
Peak:m/z	Relative Intensity
55.05508	4.2
55.15643	0.7
56.05019	0.9
56.46747	0.8
58.39721	0.8
59.45731	1.0
68.21264	0.9
69.07069	12.9
72.08147	1.4
72.37023	0.9
79.05501	1.2
80.05006	1.5
81.07043	1.1
83.08601	4.0
84.05631	15.1
91.05469	1.1
93.07033	1.8
96.05612	46.5
96.08136	1.1
97.06400	1.7
98.07173	39.2
99.46336	0.8
103.93703	0.8
105.07040	1.6
106.06559	1.3
107.08584	4.7
110.07154	23.1
111.07952	5.9
120.08116	1.3
121.10159	1.2
122.07127	8.2
124.07497	1.0
124.08695	3.8
125.05868	1.0
126.06628	4.0
131.08530	3.7
134.07088	1.9
134.09537	0.9
136.08632	1.3
138.06599	5.1
140.08177	5.0
140.53384	1.2
142.64337	0.8
144.03223	2.2
147.07945	1.7
148.08711	9.9
148.11218	16.5
150.10266	1.2
152.08232	9.3
156.08005	1.3
160.08749	1.3
162.10246	12.0
165.03699	1.7
166.09753	1.1
173.10750	4.7
175.11034	1.9
180.14931	10.4
188.11853	1.1
190.13387	98.8
208.06892	1.5
208.11147	2.4
208.14444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1336
Annotation	1-Methyl-corypalline
Peak:m/z	Relative Intensity
54.32338	0.2
57.37407	0.2
57.56962	0.2
58.06347	0.3
58.06614	3.5
59.07394	2.4
59.28257	0.2
60.08177	18.6
69.07122	0.2
70.06561	0.2
73.30191	0.2
79.05508	3.2
97.65044	0.2
98.97633	0.4
103.05481	24.1
105.07042	4.5
107.04965	20.5
108.08189	0.3
119.01689	0.3
120.08099	0.9
120.99742	0.3
121.06506	1.1
123.40913	0.2
131.04941	46.3
134.09662	3.8
144.03273	1.4
144.08060	2.2
149.05998	13.6
161.07954	0.2
162.05504	0.3
162.07780	0.3
162.09142	8.3
167.04739	0.3
172.09396	0.2
176.05228	1.5
190.08540	0.4
208.13341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1082
Annotation	4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone
Peak:m/z	Relative Intensity
50.74494	0.5
52.28411	0.6
53.77439	0.5
55.03009	2.3
55.05529	0.7
56.96583	0.6
58.78463	0.5
67.05491	0.5
67.92744	0.6
70.06596	2.4
70.07245	0.6
72.08150	0.8
79.05508	1.0
81.07082	2.7
83.05006	2.6
84.05655	5.8
84.08154	0.6
86.06062	1.0
87.04464	1.0
92.17907	0.7
94.06613	0.8
96.05624	8.7
103.02197	0.7
107.04966	11.9
108.05614	0.7
110.03535	19.8
111.04466	0.8
114.09175	0.7
118.06582	1.1
119.01662	1.0
120.08102	6.0
121.01758	1.1
121.02849	0.8
122.97762	0.6
124.07611	0.8
126.02299	0.9
126.05885	0.7
126.06622	5.5
128.04567	100.0
130.06520	1.0
135.07959	0.8
136.07658	0.7
140.97972	0.6
144.03236	4.7
146.06062	0.8
148.07623	4.4
148.08644	1.5
160.08789	3.2
162.05556	2.0
162.09222	1.3
162.10370	3.6
172.08789	3.2
181.27997	0.6
185.02936	1.0
190.07370	0.9
190.07964	0.8
190.09758	19.3
191.03838	0.7
199.11349	0.6
208.04497	2.1
208.10936	50.0
208.13373	3.5
208.14908	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	208.097
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
56.86678	0.3
59.03746	0.4
60.04536	0.8
61.41749	0.3
63.99043	0.3
64.72712	0.3
68.20949	0.3
70.06593	1.5
72.08183	0.5
74.99194	0.3
77.56760	0.3
79.05501	2.1
84.08153	0.4
91.05491	2.4
91.61713	0.3
96.05627	4.4
103.05477	8.3
105.07040	46.1
107.04972	5.4
111.05566	0.4
111.22501	0.3
115.05477	0.5
117.07015	5.7
118.06591	0.4
119.07320	2.1
120.08100	8.2
121.01730	0.7
128.02309	0.5
131.04935	7.9
132.08066	0.6
133.06508	3.9
134.09659	62.3
144.03253	0.7
144.08093	32.4
145.06517	0.4
145.08521	0.3
146.06056	0.4
147.06372	1.2
148.06604	0.5
149.05887	0.8
149.06927	0.6
162.09142	100.0
163.03979	0.4
164.04236	1.9
176.05232	0.6
180.10149	0.7
190.09798	1.4
191.07922	4.3
208.06960	3.4
208.09676	8.1
208.11069	2.9
208.13075	0.7
208.50899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1746
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03976	1.9
54.58756	1.8
55.05519	8.2
57.03443	1.7
57.07073	3.5
60.25202	1.6
61.51624	1.6
67.05211	2.5
67.05516	25.9
69.07059	7.9
71.05014	6.0
71.08625	4.4
74.26015	1.6
79.05495	10.7
81.07069	35.2
83.04991	3.2
83.08621	9.6
85.02890	2.4
85.06552	14.0
85.10141	2.2
91.05488	30.2
93.07049	30.9
95.04251	1.6
95.04941	3.6
95.08612	41.9
97.06496	8.1
97.10182	2.0
99.08051	3.9
105.07017	20.7
107.08608	32.8
109.06496	2.8
109.10160	34.5
111.08084	7.6
115.96439	57.5
119.04925	9.2
119.08586	42.5
120.08084	2.5
121.06564	2.0
121.10131	18.9
123.08047	8.9
123.11707	20.2
125.09644	3.3
129.07001	3.4
133.10129	46.0
133.97466	8.6
135.11713	14.0
136.05243	3.7
137.09639	10.2
137.13298	2.6
139.99748	2.1
143.03653	7.6
146.03601	2.3
147.04422	4.6
147.11703	29.7
149.13284	9.7
151.11166	3.0
161.01216	2.4
161.13268	13.4
163.14799	19.4
164.04677	9.9
165.12756	2.6
165.96657	2.1
179.07021	4.5
184.00087	2.6
189.16391	100.0
192.04257	3.5
207.06512	26.6
207.12001	2.1
207.13922	7.9
207.17451	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1746
Annotation	beta-Irone
Peak:m/z	Relative Intensity
55.01891	11.9
55.05502	5.7
55.63102	1.0
57.03423	1.8
57.07073	5.3
67.05511	23.5
69.07062	6.4
71.04999	2.4
71.08624	2.4
79.01856	1.3
79.05476	8.9
81.07063	29.7
83.04996	1.5
83.08604	7.0
84.94653	1.4
85.06538	9.1
88.43501	1.3
91.05485	29.6
93.07058	19.4
95.04967	2.9
95.08612	31.8
97.06524	7.2
99.08081	3.3
102.00955	1.9
105.07038	13.9
107.08603	23.4
108.05692	2.4
108.98267	1.4
109.06500	2.3
109.10157	23.1
111.08087	6.2
115.96441	100.0
116.97184	8.7
119.01958	2.4
119.04942	19.0
119.08578	21.2
120.02019	7.5
120.08104	3.2
121.06494	2.3
121.10142	14.8
121.97559	5.8
123.08073	9.4
123.11699	12.0
125.09612	2.0
133.06488	1.9
133.10127	28.9
133.97479	21.0
135.11716	8.4
136.05180	11.8
137.09637	5.3
140.48586	2.2
142.03511	9.9
143.03624	23.1
146.03609	2.8
147.04411	12.7
147.11691	18.8
149.02310	2.9
149.05891	2.1
149.13251	3.3
151.07530	29.0
151.11105	2.4
156.99014	2.1
161.04628	2.6
161.13260	8.8
163.03943	1.7
163.14818	11.5
164.04672	17.6
165.96577	5.9
165.99144	5.8
174.03169	2.2
179.07019	23.2
184.00093	12.4
189.12819	2.0
189.14709	3.1
189.16391	70.9
192.04185	6.3
207.06516	53.2
207.17448	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05505	2.8
57.00670	0.7
57.03433	0.9
57.07065	4.7
59.05017	11.2
63.09814	0.6
67.05502	3.7
69.03447	7.0
69.07071	3.8
71.05009	5.4
74.37183	0.6
79.05502	5.5
80.94978	0.9
81.07071	13.7
83.04984	3.1
83.08620	2.7
84.14527	0.7
85.02882	3.0
85.06545	3.8
91.05483	9.2
92.60332	0.8
93.07047	9.4
95.04970	15.0
95.08615	15.8
97.02914	1.0
97.06510	3.2
105.07039	21.7
107.04940	1.1
107.08600	61.4
107.64418	0.7
109.06522	16.1
109.10150	4.3
111.08097	2.7
113.05989	0.7
115.16479	0.7
115.96453	9.6
117.06988	0.8
119.04932	4.7
119.08588	19.6
120.08097	3.0
121.06512	12.7
121.10149	19.9
121.97537	2.7
122.07306	1.1
123.04424	1.5
123.08068	30.1
123.11713	8.4
125.05984	3.3
125.09628	4.2
129.06931	1.1
130.07777	0.7
131.08574	16.6
133.06503	5.4
133.10135	5.2
133.97499	1.1
135.08046	2.8
135.11713	3.5
136.05205	1.3
137.05988	15.4
137.09634	7.8
137.13269	3.4
142.03450	0.7
143.00168	1.2
143.03645	1.5
143.08556	4.4
145.10143	8.5
147.04379	3.8
147.08040	4.5
147.11697	38.3
149.05998	10.1
149.09627	82.4
150.06735	0.7
151.07547	100.0
156.09369	4.9
161.05974	6.9
161.09612	5.1
161.13210	9.3
163.07513	4.6
163.11195	5.0
164.04613	5.6
165.09113	37.3
165.12750	23.7
165.96509	3.7
171.11653	11.6
174.03078	0.7
174.10449	1.2
175.07474	0.9
177.09137	2.6
179.07048	7.6
179.10693	1.0
179.14297	3.2
183.97578	1.5
189.09097	6.0
189.12747	34.3
189.16367	3.9
192.04156	2.7
195.15175	0.8
207.06525	20.7
207.10143	13.4
207.13809	85.1
207.17462	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.93574	0.7
55.01872	1.0
55.05513	1.4
55.55207	0.7
57.07077	3.4
59.04993	1.8
66.62207	0.8
67.05515	14.7
69.03436	3.5
69.07063	1.1
71.04981	1.0
76.88439	0.9
79.05500	1.3
81.07054	4.0
83.04982	1.4
85.06538	9.3
91.05479	6.9
93.07034	7.8
95.04965	3.7
95.08611	100.0
97.06465	0.9
105.07015	8.3
107.08591	14.6
109.06507	3.6
109.10160	3.4
111.08089	1.0
113.05990	4.9
115.96451	4.2
117.07015	0.9
118.95089	0.8
119.04929	7.0
119.08575	21.8
120.08096	4.6
121.06531	4.0
121.10162	11.8
123.08070	50.7
123.11689	6.8
131.08556	4.0
133.06500	1.9
133.10149	6.0
135.08058	2.0
135.11708	4.6
136.05225	1.2
137.05983	2.1
137.09633	4.8
143.03644	1.3
143.08574	1.3
143.18515	1.0
147.04440	6.1
147.08061	5.2
147.11707	11.4
149.05951	3.4
149.08415	1.8
149.09627	52.7
151.07539	6.0
151.14801	3.4
161.06006	7.2
161.09653	1.6
161.13246	19.8
163.03934	1.5
163.07562	1.1
163.11177	1.4
164.04701	3.3
165.09113	7.7
165.12727	11.2
171.11685	4.0
174.03137	1.5
174.10422	2.1
175.03856	4.6
175.07541	1.8
176.08311	40.0
177.05446	1.3
177.09041	1.4
179.07060	5.2
179.14316	2.1
189.12749	18.3
189.16437	1.4
192.04152	1.7
192.07814	3.7
207.06578	11.2
207.10146	18.4
207.13802	32.4
207.17546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.27280	0.8
51.83347	0.7
55.05508	1.4
56.96567	0.8
57.07093	2.1
63.18372	0.8
64.27757	0.8
67.05513	17.9
69.03436	1.5
69.07069	1.4
71.04996	1.2
79.05496	1.7
81.07065	4.0
83.04995	4.8
85.06548	8.0
91.05458	1.6
92.17837	1.0
93.07043	5.2
95.04993	1.8
95.08614	100.0
105.07051	11.2
107.08604	14.1
109.06553	3.6
109.10163	3.8
111.08043	1.2
113.06017	6.0
119.08598	20.3
120.08110	2.3
121.06480	1.2
121.08452	8.3
121.10162	12.9
123.08077	47.6
123.11707	4.5
131.08568	5.2
133.06485	1.1
133.10123	3.9
135.11671	6.5
137.09666	2.3
137.13251	1.2
139.07523	1.1
140.93863	0.9
143.46587	1.0
145.10098	1.6
147.08043	5.3
147.11681	14.9
149.09627	49.7
151.07588	1.5
151.14851	2.1
154.52623	0.9
156.09279	1.2
161.09695	1.8
161.13260	16.3
163.11151	1.1
165.12752	9.9
171.11705	5.1
174.10446	2.0
174.23560	0.8
179.14342	1.0
189.12761	21.3
207.13818	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05517	2.0
56.69870	0.4
57.07088	3.1
59.05009	0.7
59.09375	0.3
65.03945	0.6
67.05515	15.8
69.03445	2.8
69.07066	2.4
71.04986	1.5
72.41040	0.3
79.05500	2.3
81.07061	2.8
83.04977	2.5
85.02930	3.2
85.06553	11.6
87.05680	0.3
91.05485	4.6
93.07047	7.5
95.04974	3.1
95.08610	100.0
97.06500	0.6
105.07038	9.0
107.08599	14.3
109.06501	2.8
109.10175	3.1
113.06010	5.2
117.07002	0.5
118.13349	0.3
119.04971	0.7
119.08585	19.7
120.08128	0.7
120.09333	0.4
121.06551	2.7
121.08419	0.9
121.10152	12.6
123.08072	59.1
123.11697	7.2
125.09603	0.3
131.08591	3.4
133.06505	2.0
133.10165	4.8
135.08060	1.6
135.11713	5.6
137.06032	0.8
137.09618	3.8
137.13261	2.1
139.07547	1.4
143.08565	0.7
145.10129	1.7
146.07246	0.4
147.08076	5.0
147.11696	12.0
149.09624	29.5
151.07533	2.3
151.14812	5.2
153.09100	0.6
156.09372	1.5
159.08060	0.7
161.05986	12.3
161.09644	4.2
161.11935	0.6
161.13255	17.4
163.11160	2.7
165.09106	1.6
165.12756	10.0
171.11707	2.5
174.10365	2.6
175.03937	0.5
179.14302	2.6
189.09196	3.0
189.12749	16.3
207.06490	0.4
207.13792	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05511	3.8
55.50563	1.0
57.07082	2.2
59.39090	0.9
65.03923	1.2
67.05520	16.5
67.65055	1.0
69.03423	1.3
69.07053	1.6
71.04995	1.4
79.05508	1.4
81.07063	2.5
83.04968	1.8
85.06545	13.8
91.05486	1.6
93.07041	7.8
95.04984	2.4
95.08611	100.0
96.08143	1.8
99.96170	1.0
105.07040	9.2
107.08610	16.0
109.06535	2.0
109.10146	2.2
112.39177	1.3
113.06014	5.3
119.08582	18.8
121.10145	14.7
123.08071	57.6
123.11669	6.1
131.08533	2.5
133.06508	1.3
133.10120	2.5
135.03960	1.5
135.11658	5.1
137.09641	4.5
139.07545	1.7
147.08060	5.7
147.11685	10.6
149.08496	1.4
149.09619	28.4
151.07625	1.2
151.14865	3.9
156.09354	1.4
161.09641	2.4
161.13242	14.7
161.26045	1.1
163.11220	1.5
165.12746	11.7
171.11690	2.2
174.10448	1.9
179.14243	4.2
183.40782	1.2
189.12764	16.7
201.84027	1.1
207.06236	1.8
207.13820	28.7
212.10104	1.1
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
52.25465	0.8
55.05519	1.3
57.07076	3.9
59.04995	1.1
61.96992	0.8
63.40691	0.7
67.05515	13.6
69.03426	2.0
69.07072	0.9
71.04989	1.4
71.79498	0.8
79.05492	1.9
81.07066	4.2
82.07754	0.7
83.04971	1.8
83.64966	0.8
85.06550	8.6
86.09712	0.9
91.05467	2.1
93.07047	8.5
95.04989	1.6
95.08611	100.0
96.08128	6.1
99.04507	1.0
101.83092	1.0
103.68816	1.0
105.07024	5.3
107.08592	17.1
109.06503	1.7
109.10180	1.7
111.08095	1.4
111.67458	0.9
113.05994	4.9
118.22842	0.8
119.04940	1.0
119.08595	15.7
121.10149	12.0
123.08070	46.3
123.11692	4.6
131.08527	1.5
133.06458	1.7
133.10139	5.3
135.11703	5.5
137.09630	4.5
139.07578	1.0
143.08582	1.0
143.10187	1.2
147.08112	1.8
147.11707	12.9
149.09621	45.7
151.07550	4.3
151.14819	3.8
161.09636	1.4
161.13248	15.0
163.11160	1.6
165.09128	1.6
165.12775	9.6
171.11667	1.8
174.10429	4.7
178.82274	1.0
189.12740	16.5
190.12225	1.7
207.06494	2.0
207.13820	31.1
220.73396	1.0
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
51.37433	2.0
55.05492	2.5
57.07064	2.6
62.22628	1.9
67.05494	4.4
69.03432	7.9
69.07049	2.8
71.13897	1.7
74.02150	2.1
79.05493	3.3
79.21469	1.8
81.07037	9.6
83.04961	2.6
85.02907	100.0
86.11324	1.9
91.05488	36.0
92.17849	2.2
93.07017	4.8
95.08578	12.8
105.07036	31.1
107.04938	2.2
107.08611	15.6
109.06503	9.7
109.10152	14.6
115.96449	2.1
117.06983	2.5
119.04944	37.9
119.08587	35.3
120.08073	12.2
121.06482	2.4
121.08395	2.9
121.10112	22.0
123.08038	9.4
123.11703	73.9
125.05933	10.2
129.06969	3.7
131.08525	14.8
133.06483	3.6
133.10081	10.5
135.08015	2.4
137.98306	2.5
138.77808	2.0
143.08556	8.3
145.10124	17.1
146.03621	2.1
146.07227	2.5
146.10872	2.8
147.04434	33.3
147.08023	18.3
147.11687	54.9
148.05118	3.0
149.09642	19.4
151.07484	11.2
156.09337	12.0
159.07971	3.0
160.99016	2.2
161.05974	43.4
161.09566	10.6
161.13229	8.4
163.11166	9.5
164.04659	3.9
165.12738	3.3
171.11667	4.7
174.03056	2.2
174.06725	3.4
174.10384	12.8
175.03926	30.3
179.07011	9.5
189.09044	14.5
189.12755	54.9
192.04251	18.9
207.04642	3.5
207.06511	39.0
207.10233	9.5
207.13776	98.3
207.17825	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.60730	0.5
55.05510	2.5
67.05515	7.6
69.07060	1.5
71.04957	0.7
76.38446	0.6
79.05499	13.3
80.94967	0.6
81.07066	8.6
83.04959	1.0
83.08597	1.1
83.97603	0.7
84.94617	0.8
91.05489	14.3
93.07054	37.9
95.04953	5.9
95.08616	4.4
97.06525	1.6
98.96154	1.1
102.95658	0.7
105.07033	8.3
107.08596	6.2
109.06523	1.6
109.10154	1.0
115.96447	100.0
116.97228	6.6
117.07002	1.1
119.01917	1.5
119.04960	0.6
119.08601	6.4
120.02018	4.1
120.08118	9.1
121.06535	1.3
121.10190	2.7
121.97557	1.4
123.08077	3.3
125.02597	0.6
125.97282	0.8
128.97842	1.0
129.07004	3.3
133.10133	3.7
133.97487	19.7
142.03500	5.0
142.97604	0.7
143.03621	15.0
143.08582	1.1
145.10126	4.1
147.08060	0.7
147.11708	23.5
149.09618	1.3
151.07579	1.3
156.99107	4.5
161.04745	2.6
161.09628	1.2
161.13239	5.1
163.04005	0.7
165.96576	2.7
165.99107	5.7
166.05159	0.8
166.08670	2.9
171.11700	10.9
179.07060	1.2
183.97661	1.1
184.00148	9.2
189.12730	5.9
207.06592	5.9
207.11717	2.4
207.13785	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02374	1.1
53.03945	1.8
55.01868	2.6
55.05505	2.8
55.14868	1.3
67.05512	15.3
69.07050	5.9
79.05082	1.3
79.05502	30.2
81.07063	12.1
81.54185	1.3
81.67075	1.1
83.04964	1.7
83.08629	1.5
85.20359	1.1
91.05482	35.5
93.07047	83.0
94.24374	1.2
95.04952	8.8
95.08617	12.0
96.06354	1.3
102.00951	2.6
102.95660	1.5
103.05447	5.3
105.04497	1.6
105.07029	18.7
107.08611	11.2
108.05689	2.2
109.06483	2.9
109.10109	2.5
115.96439	100.0
116.97224	12.5
118.04108	1.4
119.01957	2.1
119.04927	18.8
119.08561	13.2
120.01974	5.7
120.08101	21.6
121.06486	6.3
121.10157	1.8
121.97536	7.0
123.04408	2.9
123.08026	7.2
125.02473	1.6
129.06990	5.3
133.06436	2.1
133.10078	6.1
133.97487	22.2
136.05209	8.3
137.05939	3.1
142.03468	9.0
142.94911	1.5
143.03615	23.3
143.08551	5.3
145.10115	9.8
146.03624	2.4
147.04427	14.3
147.08014	2.4
147.11702	48.1
149.02341	2.8
149.05917	2.1
149.09622	2.5
149.49184	1.3
151.07527	21.5
156.99074	2.3
161.04654	3.1
161.05882	1.4
161.09613	2.6
161.13272	9.8
163.03926	2.2
164.04692	24.2
165.12695	2.4
165.96492	7.6
165.99062	5.7
166.08606	2.3
171.11653	20.3
174.03090	5.6
177.05525	1.5
179.07002	23.7
183.97601	4.7
184.00101	10.3
189.12689	9.7
192.04230	11.0
207.06505	68.9
207.09839	2.8
207.11975	2.3
207.13800	28.9
207.17532	1.8
216.52576	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	207.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48026	1.7
53.95842	1.8
56.44813	1.8
58.06596	3.5
62.93021	1.9
65.70194	2.1
67.05499	5.8
68.59991	2.1
69.07076	11.5
70.06593	3.8
81.05262	2.2
81.05798	4.2
83.07365	3.2
88.71169	2.4
91.05476	5.5
95.14724	2.2
96.08138	100.0
101.55911	9.4
105.07007	2.7
107.08558	3.1
109.07088	5.6
113.65984	2.8
115.07040	4.2
117.07023	10.2
119.08582	10.1
121.06479	3.0
122.07823	3.4
123.08109	2.6
123.57201	4.6
126.00876	2.7
128.07874	3.8
131.08388	15.9
134.09598	2.9
135.59032	10.9
143.10216	21.2
145.06529	12.6
147.06836	3.5
147.11723	3.5
148.07567	3.1
149.09669	4.8
160.07625	12.2
161.13332	3.3
162.09175	3.6
163.03906	5.2
165.96533	3.7
174.09123	11.4
175.03900	9.3
175.09995	9.1
179.07088	5.1
179.46251	2.2
186.09193	8.7
188.10806	5.5
189.09070	4.0
189.12753	2.9
190.12337	27.1
202.10965	3.9
207.06483	28.4
207.10167	3.7
207.13875	10.1
217.13461	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	207.102
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
50.98475	0.7
57.03440	0.9
59.04734	1.3
59.05013	26.9
60.37609	0.7
81.07076	1.0
91.05470	1.5
92.17829	1.8
93.07040	0.8
95.08619	1.0
104.99530	0.7
105.07027	3.2
107.08579	1.9
107.29766	0.8
109.06538	1.0
115.96446	4.3
119.04961	1.7
119.08568	3.5
121.06521	11.9
121.10168	1.2
123.08042	1.4
128.14935	0.8
133.10126	1.0
134.03659	0.9
135.08081	1.7
136.05185	1.0
137.05994	38.1
143.03600	1.0
147.04428	1.9
147.11682	3.4
149.05995	25.6
149.09653	6.6
149.13228	0.9
150.06781	1.7
151.03964	1.1
151.07568	4.1
161.06000	1.9
161.09581	2.0
162.06697	1.0
163.07553	7.7
164.04704	1.8
165.09125	100.0
165.96532	0.9
177.09126	8.9
179.07037	3.4
179.10617	3.6
189.09119	9.7
207.06570	7.0
207.10181	27.5
207.11945	1.6
207.13878	5.4
207.17471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1019
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
55.05517	0.4
56.39638	0.3
57.03961	0.4
62.42283	0.4
68.02348	0.4
69.03437	0.5
70.17850	0.4
70.70838	0.4
79.05538	0.8
80.94997	0.8
83.05011	0.5
85.06551	0.7
91.05482	9.3
92.17886	0.6
93.07053	0.8
95.05009	0.7
95.08634	2.4
103.05489	0.5
105.07030	4.7
106.07403	2.7
107.08622	1.8
115.05482	2.4
115.96438	7.6
117.07049	0.9
118.04205	0.6
119.04939	13.8
119.08560	2.5
120.02023	1.0
120.08092	3.4
121.06522	2.5
121.97583	0.7
123.04453	0.5
123.08092	2.8
131.04938	0.7
132.05730	0.7
133.06480	5.3
133.10141	1.1
133.97447	0.7
136.05223	1.1
137.05997	0.8
138.06831	0.6
142.03555	0.7
142.94911	0.4
143.03658	2.1
144.41751	0.5
145.06488	2.1
146.03647	2.4
146.07301	0.7
147.04408	12.0
147.08061	4.7
147.11696	1.1
149.02339	0.8
149.06056	2.4
149.09676	2.5
151.07532	7.8
157.03989	1.1
160.05243	0.6
161.05965	22.9
161.09578	2.0
161.13248	1.9
162.06715	0.7
163.07512	3.4
164.04681	3.9
164.08328	0.5
165.09105	0.5
165.96519	2.8
174.03105	3.1
175.03903	13.0
175.07538	6.3
176.08321	100.0
177.05476	5.9
177.09123	6.6
179.07050	5.1
179.10606	1.0
183.97612	1.1
188.24562	0.5
189.09116	1.1
189.11049	0.6
189.12685	0.9
192.04190	11.9
192.07793	9.6
207.06535	24.3
207.10141	49.9
207.13730	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0654
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
65.03952	1.0
72.79468	0.7
85.06469	0.8
89.03893	1.1
91.05485	57.0
95.08593	4.3
103.05421	1.6
105.07025	1.0
108.75504	0.8
109.36562	0.8
118.04174	1.7
119.04941	100.0
121.10115	0.9
123.08093	3.0
128.67024	0.8
129.03241	1.3
131.47910	0.8
132.02055	3.2
133.06461	1.1
133.10129	1.0
136.05174	3.0
145.02795	1.2
146.03609	1.7
147.04413	79.7
147.11589	0.8
149.02290	4.0
149.09612	5.0
157.03978	8.2
160.01607	1.0
164.04630	8.7
174.03154	3.2
175.03903	84.1
177.01910	1.1
179.07088	9.1
189.12758	0.8
192.04181	35.9
207.06523	53.9
207.13869	4.2
215.77814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0654
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
55.01873	1.9
55.05492	0.9
60.36088	0.8
60.65867	0.8
65.03945	4.1
68.69470	1.0
69.07059	0.8
79.05450	1.1
83.04995	1.1
91.05485	60.2
95.04938	1.1
95.08594	2.1
96.08122	1.2
103.05463	1.7
105.07001	5.3
107.04933	1.2
109.06493	1.4
118.04152	2.1
119.04948	92.4
119.08571	9.1
120.08123	2.0
121.06511	1.0
121.10102	1.2
121.97558	1.2
123.08080	2.1
128.06180	1.0
129.03363	1.2
129.06976	4.1
131.08566	1.0
132.02087	4.2
133.02875	7.6
133.06540	0.9
133.10109	2.0
135.04469	1.4
136.05173	3.6
137.05989	15.9
143.03650	1.3
145.02765	1.5
146.03612	1.0
147.04417	83.7
147.08038	15.5
147.11681	1.6
149.02327	3.8
150.03110	4.0
151.07530	3.4
157.03998	7.1
157.06487	1.8
160.01480	0.9
160.05182	4.1
161.05969	4.3
161.09621	4.0
164.04718	9.6
165.01883	3.4
165.05466	3.6
165.96507	1.6
174.03172	1.1
175.03908	100.0
175.07529	38.3
177.01784	1.3
179.07016	10.9
179.10629	3.8
189.09137	3.4
192.04178	44.5
199.23203	1.0
207.06529	67.6
207.10052	16.9
207.13838	4.0
229.70374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0654
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
63.57285	0.9
65.03927	3.3
72.53851	0.7
77.90451	0.8
89.03924	1.2
91.05482	59.8
93.07063	0.9
103.05437	1.6
105.07001	1.1
108.55118	0.7
118.04138	3.0
119.04941	97.3
119.08582	1.1
120.08079	1.9
121.02856	0.8
123.08055	1.1
129.03363	1.1
132.02025	3.3
135.04393	0.8
136.05191	1.4
137.05977	1.1
143.03571	0.8
147.04413	93.8
147.11652	1.3
148.04759	1.6
149.02307	3.7
157.03951	10.3
158.80244	0.7
160.01404	1.0
161.13217	1.2
163.03853	1.0
164.04704	8.5
165.96513	1.2
174.03102	1.7
175.03903	100.0
177.01775	1.4
179.07024	11.1
189.12755	1.3
192.04179	41.0
207.06491	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0656
Annotation	Anhydrosepedonin
Peak:m/z	Relative Intensity
51.84652	0.3
59.06025	0.3
63.87151	0.3
72.08125	0.5
82.45266	0.4
87.06228	0.4
87.82228	0.4
89.03918	0.9
91.05498	0.7
103.05480	0.5
107.04935	0.6
117.03365	1.9
119.04936	2.7
133.02893	0.6
133.06465	1.5
135.04434	6.3
145.02882	7.1
147.04424	6.8
161.06009	3.3
163.03908	71.3
165.96574	0.4
168.09529	0.5
175.03888	2.5
179.07022	0.7
189.05359	1.4
202.10764	0.4
207.06535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0654
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
55.01886	0.5
65.03936	2.2
67.05484	0.5
89.03912	0.9
91.05487	49.8
95.08607	5.2
96.63274	0.5
103.05468	2.4
105.07022	0.8
117.10719	0.5
118.04179	3.4
119.04951	93.7
119.08632	0.9
121.08440	0.8
121.10097	0.7
123.08042	1.3
131.04932	1.0
132.02051	2.7
135.04454	0.9
136.05170	1.2
145.02829	2.2
146.03624	1.3
147.04420	77.9
149.02357	3.9
149.09677	2.6
157.03995	9.3
161.06000	7.6
161.09613	2.2
162.03082	0.6
163.03932	0.9
164.04691	6.3
165.96519	0.6
174.03148	2.3
175.03915	100.0
177.01875	2.2
179.07043	10.7
184.83817	0.6
189.09097	2.1
192.04190	36.4
200.62418	0.5
207.06538	62.6
207.13815	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	207.0653
Annotation	Anhydrosepedonin
Peak:m/z	Relative Intensity
57.67208	0.5
59.79649	0.4
63.41429	0.6
89.03891	0.5
96.08118	1.1
97.66621	0.6
108.34688	0.5
110.03534	0.6
117.03353	2.0
119.04951	0.5
120.08103	2.3
123.57223	0.6
125.50576	0.5
128.04524	2.7
129.04919	1.0
131.08339	0.8
134.09659	2.1
135.04440	5.6
143.34515	0.5
145.02855	7.1
147.08096	0.7
161.09026	0.8
162.10204	0.6
163.03897	71.5
163.10683	4.1
165.96629	0.7
170.09714	0.8
179.06970	0.9
179.10117	0.6
207.06523	100.0
207.09671	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34059	1.5
66.11755	1.1
67.05500	3.0
69.07063	3.4
70.06590	9.2
72.08163	3.1
76.03995	7.3
79.05467	1.9
80.81879	1.4
81.07085	16.5
84.05647	10.9
84.08179	1.6
85.06518	1.7
91.05495	2.9
93.07047	5.5
95.04963	5.0
95.08630	3.1
96.05619	33.3
98.07166	10.3
105.07046	5.4
107.45984	1.3
109.06499	19.6
110.03525	6.1
110.07182	46.5
112.08728	8.3
119.01936	10.4
119.08604	8.2
121.10117	1.8
122.07150	6.7
123.04446	2.0
123.07999	2.5
124.02473	2.7
124.05053	7.8
124.08776	2.0
125.05869	3.0
128.04576	14.3
131.07335	2.0
132.04477	5.4
134.07123	1.7
136.11246	5.3
138.06679	5.5
142.03522	31.0
144.10167	1.9
145.40154	1.4
146.09660	14.1
147.08040	6.0
148.08701	1.7
150.06651	2.1
160.04585	3.2
160.11259	6.3
162.10263	1.5
163.12386	1.5
164.10692	7.7
165.09122	2.4
171.09242	2.0
178.04994	100.0
178.13420	18.2
188.11899	17.2
189.10249	1.6
206.04495	59.1
206.11693	57.8
206.13043	58.0
206.16574	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	206.1179
Annotation	Bellendine
Peak:m/z	Relative Intensity
57.03436	0.9
62.43097	0.2
68.38677	0.2
75.48051	0.2
76.92362	0.2
77.03922	0.2
78.98140	0.2
79.05492	1.0
80.22935	0.2
84.04510	0.4
85.02909	13.6
85.82161	0.2
101.00836	0.3
103.05495	0.5
105.07036	100.0
119.01906	1.2
122.09669	25.4
124.02428	0.3
130.06549	0.4
142.03522	4.9
142.12637	0.2
146.10513	0.3
160.04517	0.2
165.04996	0.3
175.09396	0.5
176.06943	0.3
188.10703	42.0
206.11760	17.7
218.54771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72201	0.4
57.03429	2.3
63.58768	0.5
69.07063	1.1
69.86196	0.5
71.52853	0.5
78.18461	0.5
79.05500	1.0
79.19727	0.5
85.02908	31.2
91.70285	0.4
92.72409	0.5
96.05627	2.2
96.19890	0.5
97.38435	0.6
101.00861	0.7
103.05432	0.5
105.07036	100.0
110.07167	8.6
119.01919	3.0
120.08107	2.0
122.09669	52.5
130.06491	1.1
142.03537	6.9
154.52406	6.1
160.04549	1.2
176.53716	3.5
178.13394	5.0
188.07036	1.1
188.10649	5.4
206.08926	0.9
206.11777	12.5
206.13173	4.7
226.64024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
62.10342	0.3
62.85297	0.3
68.10600	0.3
69.83885	0.3
70.02965	0.4
87.00832	2.3
91.05482	0.5
93.07025	0.5
103.05483	5.3
118.06546	14.2
120.08108	100.0
142.03525	1.3
146.06009	14.3
146.86153	0.3
178.58327	0.3
188.07066	11.7
206.08118	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	206.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27870	0.7
55.03003	1.5
61.32028	0.8
68.60910	0.8
77.20074	0.9
78.24752	0.8
83.04843	1.0
84.05640	6.4
93.07032	3.5
96.05621	1.6
101.00867	1.2
103.05480	1.2
110.03540	24.6
118.06535	5.5
119.01936	1.7
120.08109	24.2
128.04575	100.0
133.07626	5.1
134.07097	1.0
136.07597	2.0
136.08607	1.6
142.03511	5.1
144.38126	0.8
146.05991	1.9
149.07066	4.4
150.06598	3.9
150.10275	1.5
160.08701	28.6
162.10269	89.9
164.07095	1.1
164.10625	1.2
178.09758	24.5
188.08162	3.3
189.91167	0.9
206.09271	50.3
206.13139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
59.54109	0.3
70.02972	0.5
76.48569	0.3
84.58116	0.3
87.00849	2.3
88.95381	0.3
91.05486	0.5
93.07059	1.3
103.05493	5.6
109.36408	0.3
118.05709	0.5
118.06551	13.8
119.38393	0.3
120.08114	100.0
128.04953	0.4
129.33417	0.3
142.03540	0.6
146.06023	13.7
147.28406	0.3
154.52429	0.5
176.23930	0.3
188.07083	11.3
205.18291	0.4
206.08125	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	206.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72649	0.5
55.01860	0.7
55.05494	0.6
56.05031	2.7
57.03426	0.6
57.07076	0.9
58.06591	1.2
59.04997	0.9
59.99106	0.6
60.04526	3.3
69.07068	0.8
70.06586	1.2
71.04995	4.6
72.04514	4.6
72.08144	3.2
73.02909	1.2
74.06082	6.3
74.09715	1.0
82.06593	1.1
83.04990	2.5
84.04486	2.9
84.08140	3.4
85.01098	0.6
85.02859	2.2
85.06541	1.2
86.06064	1.4
86.09705	11.2
87.04472	2.6
88.02203	4.3
88.03988	3.8
90.05562	10.3
90.26289	0.7
94.06589	0.8
95.06119	4.5
96.04497	0.9
96.08134	1.1
97.02902	0.6
98.02411	0.9
98.06057	1.4
99.02625	0.7
100.02205	1.2
100.03972	1.2
100.07603	2.6
101.00874	9.6
101.04179	0.6
101.06023	3.2
102.05531	0.8
105.07031	0.7
108.08132	1.2
110.14830	0.6
114.05547	2.9
115.03922	9.8
116.03410	1.1
116.05326	9.4
116.07104	1.2
116.10737	3.3
117.99607	0.7
119.01924	33.6
120.71261	0.6
124.02438	11.1
124.07600	7.0
125.01753	0.7
126.05663	0.7
128.02322	1.3
128.07101	5.4
128.10706	1.4
129.05515	1.2
132.06529	2.3
132.95877	0.9
136.06216	1.3
137.02959	5.8
142.03510	100.0
142.06857	10.1
142.08611	6.8
142.12279	1.0
143.03531	0.9
144.10179	2.6
146.08118	13.6
152.06992	0.8
160.04553	13.8
160.05911	1.0
160.07887	11.6
160.09691	3.2
160.13327	18.2
162.10275	3.4
165.05110	2.7
170.08118	5.2
170.11797	3.0
171.02914	5.8
174.07764	3.6
178.04858	0.8
188.03835	2.5
188.07390	8.9
188.09183	13.0
188.12816	25.8
189.03906	2.4
189.05685	0.8
201.02470	1.0
201.91133	0.6
205.98741	1.5
206.03020	4.1
206.06470	1.4
206.08447	16.2
206.10301	10.1
206.11931	1.5
206.13896	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	206.0451
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
60.05659	0.2
70.06590	1.4
71.85833	0.2
74.88308	0.2
85.21902	0.2
101.00902	0.2
105.03416	0.5
108.35709	0.2
109.06417	0.4
119.01920	0.3
124.02540	0.2
132.04472	0.4
135.44221	0.2
139.24817	0.3
142.03519	1.7
155.39864	0.3
160.03792	0.2
178.04996	100.0
206.04497	52.3
206.11732	0.5
208.09265	0.2
221.74893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0497
Annotation	1,4-Dihydroxy-2-naphthoate
Peak:m/z	Relative Intensity
51.43046	0.3
55.01873	0.4
61.85622	0.4
64.76360	0.4
78.56822	0.3
79.05503	0.7
86.95832	0.4
91.05462	0.7
101.69798	0.4
103.05475	1.7
103.99562	0.4
105.07034	21.9
110.81652	0.4
115.05457	4.3
131.04942	6.4
133.06494	95.0
138.29828	0.4
143.04921	1.0
144.08049	0.9
146.06015	4.7
146.09645	7.6
149.05930	1.5
159.04414	10.9
160.05185	0.9
161.05971	100.0
171.05519	16.5
174.09140	23.2
177.05460	10.2
187.03909	19.2
188.07060	2.7
205.04964	13.4
205.13383	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	204.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13708	0.4
53.03124	0.4
55.84188	0.4
56.05025	2.5
57.07088	3.7
58.06615	5.0
60.04510	0.7
71.08612	3.5
71.81860	0.5
74.06100	1.0
75.38713	0.4
76.14285	0.6
88.07642	12.2
92.07124	11.6
92.18453	0.6
108.70152	0.5
112.03954	0.5
112.84223	0.5
121.95737	0.6
144.04472	2.9
156.17480	73.5
163.01852	1.0
181.02803	0.7
186.18524	5.4
204.08618	0.6
204.12131	0.9
204.19600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1385
Annotation	Crotamiton
Peak:m/z	Relative Intensity
51.84048	0.3
112.78786	0.3
121.96689	0.4
136.53595	0.3
139.96753	0.3
141.16362	0.3
188.10760	1.4
189.11475	4.7
204.13852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55242	0.4
59.65437	0.4
60.04476	0.5
74.09702	0.6
84.04509	0.4
85.02863	1.9
92.17908	0.6
98.07274	0.5
160.07578	100.0
161.08333	3.2
162.09120	0.5
163.01791	0.8
174.09180	2.4
186.09146	55.1
187.09897	9.4
188.09404	1.0
189.09969	3.2
192.01851	0.5
203.11810	5.9
204.08598	0.7
204.12611	35.4
210.79897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1233
Annotation	Acetyl-DL-carnitine
Peak:m/z	Relative Intensity
53.41189	0.2
55.05514	0.7
56.96569	2.1
57.03448	1.5
57.07087	8.2
57.61189	0.3
60.04538	1.3
61.65504	0.3
69.03434	0.6
72.07751	0.6
72.08160	17.7
74.06084	0.7
74.09725	93.4
84.04525	2.9
84.08153	0.5
85.02912	35.6
87.04462	2.3
97.02892	0.4
98.06049	1.4
102.05563	0.6
103.03938	0.4
103.05521	0.3
116.07098	0.7
118.08650	5.0
121.06477	0.5
126.05523	0.7
130.05014	1.2
130.06549	0.4
131.03398	1.8
140.10670	0.7
144.06635	0.4
144.07993	0.4
144.10231	1.7
144.13857	2.3
145.04950	0.5
147.04398	0.7
148.04787	0.5
158.11765	100.0
162.05159	0.3
163.01801	3.4
163.03874	0.4
181.02888	2.1
186.11279	2.1
204.01183	0.6
204.06404	0.3
204.08557	0.5
204.10304	1.7
204.12292	15.3
204.13818	0.9
204.15775	3.1
221.01349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54905	0.1
53.94685	0.1
55.05516	0.2
55.96221	0.1
56.96574	0.2
57.03454	0.7
57.04582	0.1
58.06610	0.6
59.12957	0.1
60.04539	0.2
60.08175	12.6
65.60967	0.1
66.77053	0.1
69.03446	0.3
70.06594	2.3
71.04998	1.1
71.06135	0.3
72.04549	0.2
72.08163	10.4
73.02921	0.9
73.07862	0.6
73.08494	6.0
73.08878	0.2
74.02448	0.3
74.06065	0.2
79.05698	0.1
84.04520	0.7
84.08155	1.3
85.02914	100.0
86.06065	0.2
87.04490	0.2
88.03998	1.1
88.07705	0.1
91.29274	0.1
97.02896	0.2
98.06034	0.2
100.07617	2.6
101.07350	0.3
101.07963	3.0
112.07559	0.1
114.05543	0.2
114.09223	0.2
115.08717	0.1
115.78594	0.1
116.03465	0.3
116.07098	0.2
120.84819	0.1
121.01672	0.5
126.05499	0.7
126.09188	0.2
126.12796	0.5
127.09556	0.2
127.13146	1.5
129.10242	0.3
130.08711	0.3
134.04536	1.2
138.05508	0.9
140.07062	0.7
142.08575	0.3
144.02040	0.2
144.06558	0.7
144.10217	3.8
145.04971	11.6
147.11314	0.1
158.06142	0.2
158.08073	0.2
158.12917	1.2
160.07529	0.2
161.02882	0.2
162.03023	0.2
168.06500	0.2
186.03024	0.2
186.07549	0.5
186.08990	0.2
186.11172	0.5
187.15269	1.5
196.18320	0.2
196.38963	0.1
204.06595	5.3
204.12280	29.7
204.17805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1233
Annotation	Acetylcarnitine
Peak:m/z	Relative Intensity
50.77408	0.1
52.30824	0.1
53.83266	0.1
56.05055	0.1
56.62106	0.1
57.03450	0.7
57.04565	0.2
58.06590	0.6
60.04537	0.8
60.08173	13.2
61.02938	0.2
68.05032	0.1
69.03441	0.5
70.06593	1.0
71.04998	0.4
71.06132	0.2
71.06941	0.4
71.19125	0.1
72.04520	0.2
72.08160	3.0
72.08537	0.2
73.02927	0.8
73.07838	0.1
73.08488	1.7
74.06114	0.1
75.32536	0.1
80.05039	0.1
81.03437	0.1
83.04977	0.1
84.04516	1.2
84.08152	2.7
85.02910	100.0
86.06066	0.4
86.09690	0.1
87.04475	0.3
87.12820	0.1
88.03967	0.1
88.08784	0.1
94.32857	0.1
96.04493	0.2
96.79311	0.1
97.02901	0.6
98.06056	0.5
99.04457	0.2
100.07623	2.0
101.07343	0.2
101.07948	2.1
102.01012	0.1
102.52451	0.1
103.03934	0.1
105.07082	0.1
109.02879	0.1
110.07170	0.1
112.07582	0.1
113.96470	0.1
114.05533	0.2
115.08700	0.1
116.07074	0.4
117.05511	0.2
117.07417	0.4
119.01892	0.2
121.01675	0.2
126.05540	1.3
126.09101	0.2
127.03905	0.1
127.09470	0.2
127.13142	0.4
128.07066	0.2
129.07874	0.1
129.10226	1.1
130.04984	0.1
130.08669	0.7
131.03700	0.1
134.08144	0.1
138.05522	1.2
140.07063	0.6
141.10182	0.1
142.08626	0.2
143.01926	0.1
144.02078	0.6
144.03210	0.1
144.06532	0.9
144.10207	3.5
144.11975	0.1
144.53474	0.1
145.04967	11.2
146.08153	0.1
147.11256	0.3
147.53719	0.1
149.00829	0.1
158.08089	0.4
158.11745	0.3
158.12889	0.8
161.02919	0.2
162.03127	0.4
162.05464	0.1
163.02768	0.2
168.06525	0.6
171.65468	0.1
186.03076	0.2
186.06001	0.1
186.07590	0.4
186.09059	0.1
186.11195	0.2
187.10854	0.1
187.15273	0.3
192.55672	0.1
204.06548	1.0
204.12286	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	204.1021
Annotation	Shihunine
Peak:m/z	Relative Intensity
50.65862	0.6
54.74762	0.8
55.05524	5.6
60.04521	1.1
62.25763	0.7
62.30800	0.7
67.05226	0.7
70.06573	1.5
72.08135	4.8
73.08465	0.9
77.03903	3.5
79.05465	1.0
83.69037	0.7
84.08150	1.1
86.09692	4.2
87.09979	1.0
95.04965	0.8
98.06021	1.2
102.96834	0.9
105.03416	8.2
106.06560	3.0
107.04934	5.0
117.03404	1.3
121.01636	1.0
126.05458	1.4
133.02858	100.0
134.06026	30.5
135.04370	3.4
140.14337	3.1
143.54433	0.8
145.02791	1.2
147.04390	5.0
150.05539	5.7
158.09616	1.1
158.11749	1.3
158.15416	9.0
162.05487	5.1
163.01768	4.9
163.03897	13.5
176.10652	7.8
181.02847	4.7
186.05797	5.1
204.08736	2.6
204.10170	59.8
204.15860	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	203.1798
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.96711	0.5
54.24718	0.5
55.05518	1.4
56.74538	0.5
63.21856	0.5
67.05517	6.1
69.07048	3.3
79.05479	1.5
81.07068	26.2
91.05465	3.2
91.74354	0.6
93.07041	10.1
95.08615	40.7
97.10203	0.8
105.06388	0.9
105.07037	16.1
107.08606	25.3
109.10161	28.7
119.08596	10.3
120.96542	1.0
121.10171	9.7
123.11697	5.5
131.08412	0.7
133.10146	11.1
135.11685	1.3
147.11697	37.2
159.11667	0.8
161.13249	12.1
175.14838	6.9
197.86150	0.6
203.17966	100.0
220.93292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05509	2.8
55.88051	1.3
57.31302	1.2
60.34361	1.2
65.95885	1.3
67.05502	8.0
69.07056	7.5
73.32611	1.4
74.06131	1.5
79.05476	2.9
81.07068	100.0
83.08623	1.6
90.54933	1.6
91.05468	6.3
93.07039	9.5
95.08608	35.8
105.07036	27.4
107.08605	24.7
109.10161	33.5
119.08587	34.1
120.96533	12.3
121.10143	16.9
123.11685	7.4
133.10126	24.7
135.11691	6.0
135.98798	3.2
143.86931	1.4
145.08466	1.8
145.10085	1.6
147.11703	45.2
157.10158	1.9
157.31213	1.4
161.13255	22.3
161.96747	2.5
162.03473	2.9
165.64964	1.4
171.09981	10.6
175.11136	1.7
175.14848	14.1
176.28380	1.4
179.97862	8.0
203.07039	2.3
203.10515	2.6
203.17966	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.06756	1.0
55.05503	5.9
58.06601	2.0
65.39692	1.1
67.05212	1.1
67.05508	15.7
69.07081	13.9
79.05489	2.0
80.57658	1.4
81.07062	37.0
83.08624	2.2
88.83279	1.3
91.05473	6.7
93.07046	16.2
95.08609	53.0
105.07037	39.9
107.08598	24.9
107.91781	1.2
109.10156	62.6
117.05602	1.1
119.08576	41.2
120.96487	5.7
121.10130	18.2
123.11685	6.7
123.57140	1.3
133.10133	36.0
135.11696	5.2
144.08058	6.3
145.08438	17.3
145.10146	2.5
147.11693	77.1
156.96239	2.2
159.09993	1.9
161.13251	19.5
161.96695	1.8
168.68555	1.2
170.09647	8.9
171.09978	90.1
172.10741	7.0
175.07555	1.8
175.14819	8.7
179.97827	5.9
202.14204	8.7
203.06914	4.9
203.10625	1.5
203.17943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
54.49764	0.7
55.05513	1.8
55.41208	0.7
55.49633	0.5
57.07069	3.1
60.74345	0.6
67.05497	3.5
69.07082	6.4
72.78596	0.8
75.72141	0.7
79.05499	4.2
81.07069	46.9
83.08620	3.6
91.05495	5.0
93.07047	10.9
95.08617	32.9
97.10152	1.2
105.07047	38.2
107.08612	16.6
109.06581	0.6
109.10165	24.3
116.81232	0.7
119.08591	26.8
121.10161	16.9
121.67269	0.7
123.11706	8.6
133.10143	30.4
135.11700	1.5
145.10129	1.7
147.11700	81.6
159.11670	0.8
160.12476	1.5
161.13252	17.5
167.50641	0.8
167.75623	0.7
175.14888	7.7
185.80943	0.8
203.17970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.14574	1.1
53.78178	1.0
54.03591	1.1
55.05506	2.8
58.63519	1.4
67.05508	10.0
69.07051	6.9
79.05479	5.4
81.07064	76.6
83.08585	1.3
91.05476	7.6
93.07050	11.0
95.08614	32.4
97.10196	1.3
105.07036	24.8
107.08604	28.3
109.10170	36.4
119.08585	34.2
120.96502	7.8
120.97968	1.8
121.10114	13.3
123.11682	7.8
133.10123	22.3
135.11679	3.3
143.08588	1.7
147.11682	48.0
156.96240	2.9
157.10167	2.0
159.11739	2.3
161.13301	20.2
161.27753	1.4
162.03397	1.4
162.53696	1.5
175.14819	12.2
179.97826	8.0
203.06914	1.6
203.08725	1.5
203.10661	7.2
203.14017	2.5
203.17957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01374	0.3
55.01891	0.3
55.05518	1.2
56.28083	0.2
56.96582	0.6
58.06606	0.6
69.03436	5.3
69.07091	0.4
70.06596	5.8
71.06137	0.6
71.42451	0.3
72.04526	1.7
72.08162	100.0
73.02924	1.8
74.06078	0.4
81.03428	1.3
84.08154	2.0
85.02933	1.8
86.06069	0.4
86.09733	3.1
88.04002	0.6
88.08768	1.7
95.04982	0.3
97.02927	0.6
98.06086	0.6
98.97602	0.5
99.04499	0.6
99.05620	0.3
100.07626	32.9
101.00893	0.5
111.28493	0.3
112.07629	0.4
115.03971	1.2
115.08751	0.4
116.07082	4.1
117.03072	0.3
119.01904	3.2
120.02041	1.9
120.96573	1.1
125.02405	2.0
125.10836	0.7
126.09167	3.7
126.12792	13.8
129.05466	0.4
130.08647	0.4
132.10274	0.5
138.03130	0.4
139.04015	0.3
140.07193	0.4
143.01929	3.3
143.03601	0.7
143.11880	0.6
143.15456	0.7
144.06647	0.6
144.10188	0.7
155.01952	0.5
157.03424	2.3
158.09395	0.3
158.12886	0.5
159.05067	0.4
161.01353	0.6
161.03004	3.2
162.03117	1.3
168.39868	0.3
171.02969	0.4
171.11310	0.4
172.10912	0.4
173.03040	0.5
175.04474	0.3
179.03940	0.5
180.04274	0.6
185.02904	2.4
185.09291	0.5
185.12950	0.7
186.11307	2.1
186.14902	12.9
186.16460	0.5
192.05563	0.4
203.02271	0.6
203.04048	2.5
203.05571	0.7
203.08276	3.6
203.10410	1.4
203.12027	1.1
203.13713	8.5
203.15433	1.7
203.17499	7.0
221.05080	0.4
223.50272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08146	1.5
81.07089	1.7
83.47810	0.9
91.05506	1.1
94.06535	1.1
95.08561	1.4
97.51521	1.1
99.04452	6.9
101.07338	4.7
101.57676	1.9
105.07034	1.7
107.03200	1.1
107.08617	1.2
116.60441	1.0
119.08616	5.0
120.08122	1.6
120.96562	1.3
131.07332	1.5
132.08107	5.6
133.10165	4.2
134.09666	1.5
143.08546	3.9
144.08109	1.7
145.08890	2.1
145.10028	1.4
147.11696	5.5
157.08894	5.8
157.10065	1.2
158.09604	1.8
160.11227	12.6
161.09590	1.2
161.13298	2.1
170.09676	1.2
171.08096	1.1
171.10046	4.4
172.11209	19.4
174.12828	1.0
175.07587	1.3
195.82893	1.1
203.07077	4.6
203.09013	1.4
203.10493	7.7
203.15503	100.0
205.33313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1433
Annotation	Khusilal
Peak:m/z	Relative Intensity
51.33802	0.5
52.67156	0.5
55.01835	0.6
55.05505	4.1
57.07079	0.7
59.04995	1.1
63.75349	0.5
64.62702	0.5
67.05487	4.0
69.03417	4.0
69.07078	6.3
72.35914	0.6
79.05480	3.2
81.07062	10.2
83.04958	3.3
83.08607	0.7
86.96072	0.6
91.05466	5.0
93.07037	12.0
95.04967	4.8
95.08589	3.7
97.06545	4.4
105.07034	17.8
107.08598	6.3
109.06512	5.8
111.08083	1.2
112.29613	0.6
115.05482	1.1
117.06991	6.3
119.08581	38.0
121.06457	1.0
121.10136	5.4
123.08051	4.1
128.06189	1.4
129.06978	3.5
130.06508	2.4
130.07683	0.6
131.08543	5.5
133.06442	3.4
133.10138	33.6
135.08060	2.8
135.11653	1.2
139.95293	0.7
141.07079	0.7
142.07759	3.1
143.08585	7.4
144.08122	1.0
144.09334	2.9
145.06534	1.0
145.10121	23.6
147.08047	18.1
147.11687	6.0
155.08514	1.3
156.09328	2.8
157.06519	1.5
157.07626	9.9
157.10133	13.1
158.10855	0.8
159.11696	31.9
160.05107	0.7
160.08835	1.5
160.12462	6.1
161.05978	0.8
161.09615	25.0
161.13251	46.5
170.09525	1.4
170.10902	26.1
171.09969	9.0
173.09560	1.5
173.11810	0.7
173.13260	18.9
174.10393	1.3
175.07504	1.4
175.11157	3.9
175.14813	14.9
185.13249	39.3
188.11954	5.5
203.08458	8.8
203.14291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1434
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
55.05522	2.7
67.05482	5.4
69.03423	3.1
69.07051	8.8
70.06573	1.4
74.18048	1.3
79.05498	5.6
81.07067	12.1
83.04948	2.0
91.05450	8.0
92.17765	1.4
93.07039	11.7
95.04958	3.2
95.08595	3.3
97.06495	5.8
102.96851	1.4
104.90458	1.2
105.07040	15.1
107.08619	12.1
109.06512	7.0
111.08051	1.4
115.05409	2.2
115.53938	1.2
117.07007	6.8
119.07841	1.4
119.08595	36.3
121.10106	7.8
123.08047	2.2
123.97193	1.3
128.06187	1.7
129.06961	1.3
130.06509	3.1
131.08534	8.2
133.06422	1.6
133.10138	29.8
135.08003	1.3
135.11713	1.7
142.07747	2.2
143.04872	2.4
143.08597	10.2
144.08032	6.8
144.09180	1.9
145.08481	10.1
145.10147	25.1
147.04326	2.0
147.08072	18.3
147.11661	5.5
149.09573	2.9
157.06580	2.3
157.07620	26.4
157.10153	13.4
159.11693	28.6
160.12483	4.8
161.05904	8.8
161.07077	1.7
161.09641	16.6
161.13243	50.2
167.10692	1.5
170.09590	5.9
170.10873	29.6
171.04379	2.3
171.09999	36.9
172.10927	1.6
173.09644	2.4
173.13303	11.9
175.07440	2.1
175.11166	1.7
175.14784	15.4
185.11728	2.6
185.13251	37.4
188.11919	5.7
192.52463	1.3
202.14186	2.5
203.06786	9.0
203.08160	17.6
203.10112	2.6
203.14293	100.0
203.17255	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	203.1434
Annotation	Khusilal
Peak:m/z	Relative Intensity
53.59422	0.7
55.05507	5.2
57.07070	0.9
59.05001	1.9
67.05492	5.6
69.03418	4.7
69.07075	10.8
78.51996	0.9
79.05510	6.6
81.06662	1.0
81.07069	14.8
83.04963	5.6
91.05466	5.5
93.07049	10.0
95.04979	6.9
95.08581	4.0
97.06519	4.1
105.07044	17.2
107.08579	9.1
109.06527	11.9
109.10123	1.4
111.08075	1.1
117.06994	4.9
119.04996	1.1
119.08588	39.2
120.96497	1.0
121.06459	1.2
121.10122	6.9
123.08039	1.5
128.06242	1.0
129.07008	1.5
131.08560	7.9
133.06468	4.0
133.10139	35.9
135.08049	1.8
142.07782	4.2
143.08578	11.8
144.09315	1.5
145.10130	27.8
147.08060	20.6
147.11697	7.4
149.09578	1.2
155.08467	1.5
156.09319	1.4
157.10124	17.3
158.10873	3.1
159.11684	23.1
160.08759	0.9
160.12489	1.5
161.05928	4.4
161.09619	23.4
161.10910	1.6
161.13249	42.8
170.10904	29.2
171.21609	1.0
173.09534	1.5
173.13266	20.3
174.10349	1.9
175.07512	1.7
175.11153	4.7
175.14825	21.3
185.13257	39.4
188.11914	8.6
203.03471	1.0
203.07028	4.0
203.10596	3.7
203.14302	100.0
203.18112	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	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
51.63755	1.1
55.05525	24.0
56.87043	1.2
57.07075	2.4
63.04880	1.1
65.03957	1.5
67.05195	1.4
67.05516	31.2
69.03119	1.2
69.03438	20.7
69.07079	13.0
79.05495	16.1
81.07063	68.3
83.04991	12.0
83.08614	1.8
91.05474	14.4
93.07051	21.2
95.04987	24.2
95.08609	17.6
97.06508	3.2
102.96855	1.6
105.06417	1.4
105.07043	30.3
107.04974	1.7
107.08623	11.9
109.05846	1.5
109.06533	35.8
109.10139	14.6
111.08046	5.4
117.07001	2.4
117.37232	1.4
119.08592	69.5
120.96506	2.7
121.06520	1.4
121.09367	1.5
121.10149	31.6
123.11688	1.8
129.06975	2.2
131.08566	5.9
133.10139	94.2
135.08040	2.8
135.11650	1.8
143.08521	6.6
145.10129	18.3
147.08060	40.3
147.11707	25.6
157.10175	9.6
159.08147	1.9
159.11639	9.5
161.09634	43.0
161.11897	2.9
161.13251	82.3
162.79901	1.5
170.10875	13.6
171.10046	5.1
173.09590	7.4
173.13191	2.4
174.10365	2.1
175.11232	10.3
175.14816	39.3
179.97713	1.7
185.13274	21.0
188.12007	19.4
193.52600	1.4
194.63335	3.2
203.06732	1.8
203.08322	2.1
203.14293	100.0
203.17944	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1433
Annotation	Penidienone
Peak:m/z	Relative Intensity
55.05280	1.6
55.05520	23.8
55.14124	1.1
57.07055	1.7
65.03934	1.3
67.05514	27.4
69.03429	18.1
69.07078	15.1
70.23102	1.1
78.13414	1.2
79.05494	15.0
81.06607	2.4
81.07066	64.2
83.04964	8.0
83.08620	5.3
91.05489	16.7
93.07052	21.1
95.04974	19.9
95.08055	1.6
95.08612	34.1
97.06525	5.2
97.10162	2.0
102.96866	2.5
105.06388	2.0
105.07038	43.7
107.08584	20.9
109.06524	26.7
109.10164	31.1
111.08115	1.8
117.06993	2.7
119.08582	74.1
120.96519	2.8
121.06511	1.6
121.10149	34.4
123.11685	7.5
128.56737	1.3
128.58110	1.3
129.07059	1.6
131.08525	5.4
133.10135	100.0
135.08012	1.4
135.11662	2.7
137.96794	1.3
142.07845	1.6
143.08557	5.6
145.08415	3.2
145.10156	14.8
147.08034	26.3
147.11690	57.2
149.09589	2.0
157.10164	8.6
158.06035	1.5
159.08047	1.6
159.11674	8.5
160.12425	6.5
161.09625	34.8
161.11897	2.9
161.13258	81.1
168.81412	1.4
170.10881	12.4
171.09998	13.2
173.09584	5.6
173.13245	5.1
174.10306	1.9
175.11185	6.4
175.14804	33.5
179.97891	1.7
185.13277	17.5
188.11983	20.0
203.08171	8.8
203.10385	2.5
203.12198	2.5
203.14297	85.2
203.17961	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1393
Annotation	Ala-Leu
Peak:m/z	Relative Intensity
55.53328	0.3
56.05047	1.6
57.07086	19.0
58.20898	0.3
60.31861	0.3
60.38136	0.3
70.53549	0.3
72.08150	2.2
74.09724	100.0
74.74685	0.3
79.68819	0.3
82.76305	0.3
83.06113	1.9
84.04512	72.2
85.02916	2.4
86.09730	0.7
92.18421	0.5
102.05550	3.6
103.62211	0.3
121.52950	0.3
130.05009	45.5
132.10228	0.4
139.12361	0.4
140.10748	0.4
148.86990	0.4
157.13368	26.4
158.11734	1.2
185.12836	0.5
186.11261	91.9
203.08452	0.4
203.13911	19.0
203.15437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
51.89574	0.4
60.08303	0.4
62.06091	0.5
63.87383	0.4
84.04526	0.5
84.05653	1.0
85.06441	1.2
86.09714	100.0
86.46960	0.5
94.31921	0.5
99.09229	0.8
99.56583	0.5
120.96551	0.7
132.10214	94.4
149.87228	0.5
151.03864	0.6
157.07906	4.2
157.13371	13.5
192.50970	0.5
203.08434	5.1
203.13876	7.0
203.15421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	L-Leucyl-L- Alanine
Peak:m/z	Relative Intensity
60.95579	0.2
65.08577	0.2
67.01588	0.2
69.07059	0.8
70.06593	0.9
71.06127	0.2
71.43174	0.2
72.08166	2.8
84.08135	0.3
85.89888	0.2
86.09711	100.0
88.08755	0.3
89.10782	0.2
90.05537	0.7
98.06080	0.2
100.07632	0.3
112.11227	0.4
114.09160	0.3
116.07101	0.3
119.01900	0.2
125.89718	0.2
129.13881	0.4
130.06523	0.7
140.10747	0.2
157.07634	3.0
168.13860	0.4
185.16463	0.2
186.11311	0.2
186.14848	2.6
201.54420	0.2
203.08157	2.7
203.13779	3.0
203.17659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0851
Annotation	Pyrene
Peak:m/z	Relative Intensity
55.01883	1.6
58.99590	0.3
61.21997	0.2
65.18604	0.3
67.05503	0.5
68.99773	0.3
69.03436	1.4
70.06608	1.0
71.06123	1.9
72.08169	2.1
81.03436	1.1
84.04491	0.6
84.08147	1.2
86.09715	6.9
87.04467	1.3
89.02464	0.2
97.02902	4.3
99.04445	0.4
99.09227	13.8
100.07632	0.5
101.01748	0.6
101.02374	0.4
102.03775	0.4
103.34193	0.3
105.00135	0.4
107.05135	0.2
111.04454	1.1
113.06040	0.6
115.03942	9.5
120.08082	2.1
120.96489	0.3
125.02357	29.7
129.04745	3.1
129.05641	0.4
129.10222	1.2
132.10216	3.1
139.03909	8.1
143.03412	1.9
153.01833	9.1
157.05232	2.8
157.07951	81.0
167.03442	0.4
171.02885	6.0
175.07484	0.4
179.97774	0.5
185.04480	0.3
186.14893	0.4
203.05412	2.5
203.08496	100.0
203.13885	2.1
203.15443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0816
Annotation	6-Hydroxy-3,4-dihydro-1-oxo-beta-carboline
Peak:m/z	Relative Intensity
52.65377	1.9
55.05524	5.1
56.74198	2.3
64.57699	2.3
64.58223	2.0
65.55765	2.1
66.95748	2.1
67.05499	10.0
69.07063	12.9
81.07050	16.2
91.05466	5.4
92.17815	4.6
93.07049	4.1
95.08089	2.9
95.08607	28.4
105.07047	32.2
107.08611	19.0
109.10160	22.5
115.80290	2.6
119.08597	47.5
121.10141	23.0
123.11725	4.7
130.06557	5.2
133.10121	50.2
135.11691	3.2
145.10123	5.1
147.05568	3.7
147.08063	2.9
147.09180	4.4
147.11685	64.5
157.07593	2.8
158.06024	21.3
159.04915	5.6
159.11650	3.8
161.09615	3.3
161.13242	29.5
171.09991	14.2
175.08630	18.9
175.14859	4.5
185.13286	4.2
188.05801	2.8
203.04617	2.7
203.08145	100.0
203.11852	19.0
203.14162	7.4
203.17970	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65377	1.9
55.05524	5.1
56.74198	2.3
64.57699	2.3
64.58223	2.0
65.55765	2.1
66.95748	2.1
67.05499	10.0
69.07063	12.9
81.07050	16.2
91.05466	5.4
92.17815	4.6
93.07049	4.1
95.08089	2.9
95.08607	28.4
105.07047	32.2
107.08611	19.0
109.10160	22.5
115.80290	2.6
119.08597	47.5
121.10141	23.0
123.11725	4.7
130.06557	5.2
133.10121	50.2
135.11691	3.2
145.10123	5.1
147.05568	3.7
147.08063	2.9
147.09180	4.4
147.11685	64.5
157.07593	2.8
158.06024	21.3
159.04915	5.6
159.11650	3.8
161.09615	3.3
161.13242	29.5
171.09991	14.2
175.08630	18.9
175.14859	4.5
185.13286	4.2
188.05801	2.8
203.04617	2.7
203.08145	100.0
203.11852	19.0
203.14162	7.4
203.17970	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79754	0.3
55.05520	0.3
57.06834	0.4
57.07084	8.5
57.18988	0.4
58.06600	1.5
62.06097	9.9
71.08626	3.7
79.05033	0.4
85.10177	3.3
101.20744	0.4
114.95605	0.5
119.95744	0.9
134.23967	0.4
164.83371	0.5
174.18550	3.9
184.20618	11.5
202.21664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2167
Annotation	DDAO
Peak:m/z	Relative Intensity
53.79561	0.3
57.06833	0.5
57.07084	8.7
58.06599	1.8
62.05799	0.4
62.06094	10.7
71.08649	4.1
75.59724	0.3
85.10190	3.2
96.00871	0.3
119.95731	0.8
151.55103	0.4
184.20599	10.9
202.21661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1803
Annotation	11-Aminoundecanoic acid
Peak:m/z	Relative Intensity
55.05500	0.6
57.07087	15.0
58.06598	3.3
62.06099	14.2
71.08634	15.1
72.04522	16.9
78.93108	1.5
85.37757	0.6
86.06050	0.9
92.26804	0.7
114.95650	1.5
118.96750	1.5
119.95750	10.4
119.96684	1.0
130.06479	0.8
132.96692	0.9
137.96832	1.3
144.08084	3.0
156.17496	12.2
170.09601	10.2
171.10524	1.2
174.09200	1.1
174.18532	100.0
178.95984	1.0
178.98212	3.9
184.16968	35.5
184.18613	1.3
187.11928	0.9
202.10750	1.0
202.12407	3.8
202.18024	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	0.2
58.06610	2.1
70.06575	1.3
71.07360	0.3
84.08115	0.3
96.08134	0.5
114.08067	0.4
114.37234	0.3
119.01914	0.4
123.08648	0.6
123.58794	0.5
130.06500	0.3
131.07338	0.4
132.74754	0.3
133.75471	0.3
142.03545	0.4
143.07286	0.3
144.08096	39.7
145.08818	0.5
146.09663	0.4
156.08098	0.3
157.08929	0.3
158.09648	4.3
159.10216	0.4
170.09648	100.0
171.10417	11.2
172.11191	1.1
174.09296	0.5
184.95978	0.4
186.11507	0.6
187.12140	1.5
201.13869	9.2
202.08757	0.5
202.10753	0.9
202.12451	1.6
202.14606	4.2
214.56512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02849	0.3
51.53662	0.3
58.06596	2.1
65.51149	0.4
70.06580	0.7
70.32379	0.4
77.13756	0.5
78.54560	0.4
82.06549	0.6
84.46781	0.4
96.08121	0.8
102.49939	0.4
113.02536	0.6
113.52755	0.5
122.03088	0.8
122.53269	1.8
123.08720	0.5
134.09665	1.8
144.08087	38.8
145.08797	0.5
158.09631	5.3
158.52513	0.6
170.09639	100.0
171.10405	10.9
172.09842	0.6
172.11154	0.9
186.11465	0.9
187.12189	0.6
201.13826	8.8
202.10695	0.7
202.14583	2.8
222.88794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	1.7
62.52644	0.2
64.77071	0.2
70.06596	0.5
71.07362	0.3
129.55162	0.3
131.07310	0.5
143.07275	0.4
144.08084	37.5
145.08640	0.6
146.75444	0.2
158.09654	4.6
159.10004	1.1
170.09639	100.0
171.10423	10.9
172.09868	0.4
186.11531	1.3
187.12003	2.7
201.13858	8.9
202.14423	5.4
219.86099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85909	0.2
58.06598	1.9
64.22871	0.2
70.06592	0.4
70.15298	0.2
71.07355	0.4
73.34019	0.2
92.89082	0.2
131.07263	0.4
143.07323	0.5
144.08096	36.4
145.08701	0.3
150.00655	0.3
152.86952	0.3
154.83826	0.3
158.09659	4.4
159.10011	1.7
170.09654	100.0
171.10440	11.2
172.09927	0.5
172.11232	0.4
180.15935	0.3
186.11522	1.1
187.12115	2.6
201.13881	9.9
202.14514	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	202.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	1.5
71.07352	0.3
102.88131	0.3
119.95787	0.4
119.96768	0.2
131.07291	0.3
137.15190	0.3
142.90695	0.3
143.07300	0.5
144.08095	34.6
145.08849	0.5
146.09608	0.3
158.09665	4.7
159.09998	1.3
160.57150	0.3
170.09648	100.0
171.10435	11.6
172.11195	0.4
186.11485	1.6
187.12035	2.2
201.13884	8.5
202.14601	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	202.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18223	0.3
52.15545	0.3
53.94230	0.3
56.66121	0.3
58.06591	1.6
70.06585	0.5
83.04961	0.4
91.57713	0.3
94.42705	0.3
96.32283	0.5
114.95682	0.4
118.96767	0.5
119.95734	1.9
119.96687	0.3
143.07265	0.7
144.08092	37.5
145.08745	0.5
158.09662	3.7
159.10008	0.8
170.09644	100.0
171.10403	11.5
178.98318	0.5
186.11571	1.5
187.12067	1.9
199.01180	0.4
201.13890	9.4
202.10660	0.5
202.12489	0.6
202.14496	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	202.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39977	0.2
57.13014	0.2
58.06611	2.1
58.31360	0.2
60.59704	0.3
70.06581	0.4
78.89635	0.3
114.91825	0.3
119.95699	0.3
130.06534	0.3
143.07321	0.6
144.08089	36.7
145.08803	0.4
146.09686	0.5
158.09682	4.1
159.10182	0.5
170.09647	100.0
171.10420	9.5
172.09862	0.4
185.27473	0.3
186.11517	1.8
187.12119	1.8
201.13853	9.1
202.12300	2.1
202.14485	3.6
217.40648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89196	0.2
58.06593	1.9
70.06580	0.4
71.07376	0.4
72.10415	0.2
82.17313	0.3
82.67304	0.3
96.08094	0.4
108.92611	0.3
119.95759	0.3
139.80406	0.2
143.07298	0.5
144.08089	36.7
158.09657	4.4
159.10109	0.7
160.07610	1.1
169.53265	0.3
170.09645	100.0
171.10435	10.8
172.09912	0.5
172.11232	0.3
186.08832	0.3
186.11522	0.7
187.08652	0.4
187.12086	1.7
201.10205	0.6
201.13875	9.0
202.10994	3.7
202.14476	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	202.1441
Annotation	L-2-amino-8-oxodecanoate
Peak:m/z	Relative Intensity
54.06352	0.4
57.07112	0.5
60.26978	0.4
64.40819	0.4
67.05544	0.7
69.03465	2.2
71.08649	0.8
79.05531	1.0
81.07067	12.9
81.07531	0.5
82.06604	0.5
84.04543	0.6
84.53039	0.4
85.06595	0.7
86.06080	68.1
87.04481	49.0
91.47993	0.5
96.08137	0.5
98.02451	0.5
98.06065	9.9
98.09715	1.1
99.08112	4.3
99.82362	0.4
100.07619	3.9
112.07666	0.9
114.05524	0.8
116.10744	19.1
124.07646	2.5
133.21051	0.5
138.12802	0.6
142.08681	0.6
148.11328	0.4
155.20135	0.5
156.13866	3.7
160.07625	0.5
166.12347	2.2
172.39175	0.5
179.09309	0.5
184.13345	100.0
202.08864	0.7
202.10809	5.9
202.12460	1.0
202.14388	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	202.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05562	1.9
56.05091	0.5
56.96575	4.1
57.03479	0.5
69.03468	1.8
69.07117	0.5
70.06645	0.5
70.26069	0.4
71.08714	0.5
72.03564	0.5
72.08197	0.7
73.02970	0.5
75.01103	0.4
79.05518	1.6
81.07070	10.5
83.08685	0.5
84.04556	0.7
85.06606	0.6
86.06072	64.5
86.09773	0.6
87.04473	46.4
96.08206	0.6
98.02462	0.9
98.06046	8.6
98.09772	0.6
99.08118	3.5
100.07631	4.5
100.99239	0.4
107.05012	2.2
108.05357	1.9
113.02634	3.1
113.52705	4.3
114.05585	0.6
116.03463	0.5
116.10739	18.5
119.01953	1.8
120.08115	0.4
121.06567	0.5
122.03085	8.7
122.53242	8.4
122.54028	0.5
124.07607	3.9
124.53365	0.7
126.01505	0.7
127.02328	1.9
127.52493	0.6
128.07104	0.6
129.06987	4.4
131.53807	0.6
132.08125	0.7
133.06459	0.8
133.53931	2.0
134.04095	1.9
135.02051	1.0
135.52264	1.9
136.02840	0.9
136.53069	1.1
138.12828	0.7
142.08669	2.8
144.02649	1.1
144.52760	3.1
149.01852	0.7
153.53302	1.7
156.03534	0.9
156.08102	5.4
156.10243	0.7
156.13846	1.8
158.09671	2.3
158.52524	1.0
160.07613	3.1
161.05972	2.4
166.12239	3.3
167.02789	0.8
167.53038	2.3
170.09677	0.8
174.09135	1.1
179.03868	0.8
184.04353	0.6
184.09789	2.4
184.13330	100.0
187.11739	0.6
197.25121	0.5
201.10310	0.5
202.04962	0.4
202.06911	1.0
202.08644	5.5
202.10741	8.9
202.12480	2.8
202.14360	31.4
210.01964	0.5
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
52.68429	0.3
54.34439	0.3
55.05476	0.7
55.80196	0.3
68.85611	0.3
72.08109	1.3
94.03122	0.4
98.06087	0.3
101.36514	0.3
103.05473	4.9
122.58015	0.3
130.12271	0.6
131.04938	100.0
134.13527	0.3
144.08124	0.6
146.06055	0.6
148.07596	1.6
159.06923	0.4
160.07538	2.2
169.07526	0.4
170.09723	1.8
172.07591	0.5
187.08711	3.2
201.10393	1.2
202.11060	3.0
202.12442	31.9
202.14291	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	202.1228
Annotation	Leptomerine
Peak:m/z	Relative Intensity
55.05524	0.7
57.92366	0.2
69.07092	0.4
72.08157	0.7
91.30938	0.3
92.17839	0.3
99.09362	0.3
103.05463	4.1
118.22958	0.3
119.96808	0.4
127.27328	0.3
131.04930	100.0
134.09636	0.4
144.08072	1.0
145.10091	0.5
146.10461	0.7
148.07611	1.9
160.07556	0.5
160.12044	1.0
170.05325	0.5
170.09673	1.3
174.09085	0.7
184.17030	1.9
195.56281	0.3
202.12305	45.3
202.14206	7.8
202.16551	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	202.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06365	0.3
52.15453	0.3
52.31380	0.3
52.72345	0.3
53.64439	0.3
55.05481	0.7
55.97561	0.3
56.41329	0.3
71.09472	0.3
72.08125	0.5
72.95819	0.3
85.48911	0.3
87.70435	0.3
92.18428	0.3
100.60632	0.4
102.51873	0.3
103.05489	4.7
107.82971	0.3
111.23154	0.3
130.06497	0.4
131.04932	100.0
142.06560	1.2
144.08102	0.8
146.06056	0.5
148.07607	2.4
158.66478	0.3
160.07594	2.3
170.06013	9.0
170.07294	0.5
170.09682	2.7
172.07664	0.5
187.08798	1.8
188.56206	0.4
201.10336	0.7
202.08615	1.4
202.11043	3.3
202.12430	34.8
202.14285	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	202.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09424	1.5
62.21387	1.9
64.12425	1.7
64.56488	1.8
75.58097	1.7
78.87537	2.2
92.18406	2.4
100.15176	1.8
107.61658	1.8
112.44984	1.9
119.95718	9.2
133.05205	3.2
146.05997	10.0
159.06792	4.1
160.07568	27.2
169.07506	3.4
170.05975	10.0
170.09590	4.1
172.07556	11.1
187.08678	34.2
201.10187	12.6
202.05760	2.4
202.08910	3.1
202.10973	100.0
202.16582	3.9
205.23215	2.1
219.41191	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	202.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53169	0.8
58.03617	0.8
58.06586	1.3
67.30909	0.8
70.06563	0.8
83.88103	0.7
89.67256	0.7
96.08065	0.9
114.55515	1.0
119.95750	1.8
123.06565	0.8
144.08090	37.3
146.05978	5.4
147.06776	0.9
158.09604	4.5
159.06764	3.3
160.07565	15.7
161.08307	1.0
169.07504	3.4
170.09644	100.0
171.10442	11.3
172.07527	3.4
174.09074	1.7
177.32048	0.9
178.98294	1.0
186.11443	1.1
187.08653	15.6
187.12207	1.1
201.10197	10.0
201.13893	10.7
202.08684	8.7
202.10966	66.2
202.14333	4.3
202.16492	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76367	1.1
55.01883	1.7
57.07075	8.0
62.35749	1.1
65.34763	1.4
67.05502	5.3
69.03414	1.4
69.07058	8.1
70.02946	8.5
71.08653	1.3
72.04529	14.2
73.02919	16.3
73.18612	1.3
74.02447	1.7
83.04984	2.4
85.06531	5.4
86.09708	8.6
87.08128	1.8
87.10036	1.9
90.05515	1.6
95.04964	10.8
96.08127	1.9
98.02419	35.6
100.03970	12.3
103.07568	2.1
110.06147	1.5
112.07571	1.5
113.06001	5.2
114.10315	1.4
116.03470	23.4
119.01865	1.7
124.06783	1.7
124.07599	30.5
128.07028	1.8
130.06517	1.9
142.03546	1.8
142.07651	2.1
142.08659	34.7
142.12268	1.4
143.12602	2.2
146.08118	2.9
147.50084	1.5
156.04465	5.3
160.09682	13.5
161.02966	1.7
166.08656	3.1
167.09065	1.3
174.05504	15.4
174.11250	2.1
184.09715	31.3
184.13226	1.6
191.55788	1.4
202.08656	7.2
202.10738	100.0
202.12312	6.0
202.14297	22.5
202.17441	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1078
Annotation	L-dihydroanticapsin
Peak:m/z	Relative Intensity
56.96569	4.0
57.07067	2.7
66.85902	0.4
67.05502	3.1
69.07072	4.5
70.02966	4.3
72.04530	0.8
73.02929	8.3
74.02448	0.6
79.05499	0.6
81.07068	2.7
84.04428	0.6
85.06562	3.9
86.09699	1.3
87.08105	0.9
90.05560	0.7
93.07023	0.8
95.04976	7.2
95.08586	0.9
96.08123	2.1
97.06546	0.6
98.02422	20.4
98.06060	0.5
99.82261	0.6
100.03992	8.3
107.04949	2.5
107.08642	0.8
108.05256	1.0
113.02533	3.4
113.05987	3.3
113.52738	1.0
115.02287	0.5
116.03455	12.2
119.01930	0.9
121.10182	0.7
122.03110	7.0
122.53243	5.8
124.07600	20.8
124.53324	0.9
125.03552	0.8
127.52548	0.5
130.08611	0.6
134.04002	1.1
135.02005	1.2
135.52136	0.7
136.02806	0.9
136.52988	0.8
138.12741	0.8
142.03503	0.6
142.08643	23.7
144.02554	2.1
144.52748	3.3
149.09567	0.7
149.65794	0.6
153.03052	1.2
153.53320	1.0
156.10243	2.6
156.13840	25.6
158.02318	0.9
158.52483	2.4
161.06015	0.9
166.08569	2.3
166.12404	0.7
167.53017	1.0
170.09634	1.0
174.09077	0.9
177.17043	0.5
184.09709	20.9
184.13313	3.2
202.10747	100.0
202.14400	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	202.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89188	1.0
55.05526	1.1
57.18508	1.1
69.82492	1.1
70.83266	1.0
77.44822	1.0
83.04845	1.6
84.05626	1.8
86.06080	1.3
94.02692	5.4
94.06336	4.2
96.08141	1.7
114.10291	1.6
117.37355	1.2
123.03220	1.1
123.06578	50.4
124.04004	1.8
131.04973	25.5
131.07109	100.0
138.10257	2.7
155.05528	6.0
160.07545	1.8
165.34088	1.2
170.09683	2.0
173.58508	1.1
184.07568	1.8
187.08693	2.4
201.10188	2.0
202.05107	12.3
202.10776	8.6
202.12633	13.1
202.18121	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	201.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17182	0.4
53.59699	0.4
57.07089	17.8
57.57286	0.3
57.97758	0.3
59.27674	0.3
59.93116	0.6
67.05534	0.4
72.04522	0.7
72.08153	0.4
74.09724	8.7
79.90476	0.4
81.07044	0.4
85.44124	0.3
89.79836	0.3
91.05475	0.4
92.53381	0.3
100.07615	0.8
100.95706	0.7
109.06457	0.3
113.45184	0.3
114.24741	0.4
115.39220	0.4
115.98066	0.7
117.07027	1.9
117.95984	0.5
118.96777	14.8
127.03982	0.5
128.96326	0.4
130.15926	100.0
131.08543	0.6
133.99078	5.1
136.95451	2.8
141.06987	0.8
145.10139	0.5
154.96463	4.2
156.13824	6.3
157.10149	2.1
158.09668	0.5
159.11739	0.5
159.97002	5.1
173.13226	0.5
177.98070	13.9
183.11728	2.0
186.11627	0.5
197.11665	0.4
200.99773	0.7
201.12614	7.1
201.19621	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	201.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
60.05661	0.6
70.06586	2.2
71.04980	1.1
72.07803	0.9
72.08163	17.5
86.09735	4.7
88.07623	2.4
97.07658	1.0
98.06039	2.6
100.07629	7.9
114.10297	23.2
115.08704	12.2
118.96762	3.9
131.12881	0.7
133.99057	0.6
136.95395	0.7
141.13881	33.6
142.12288	100.0
143.70578	0.5
144.08098	0.8
156.10216	0.8
159.14928	5.2
159.97061	0.6
177.98102	3.1
183.06639	0.6
184.14470	51.1
186.11493	0.6
201.17126	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55170	0.5
62.69507	0.6
66.56069	0.5
71.04990	1.1
72.08163	15.6
75.57029	0.6
86.09695	2.6
97.07631	2.4
98.06057	1.2
98.97576	0.6
100.07633	8.5
100.95795	0.6
105.10252	0.6
114.10296	24.7
115.08694	11.8
118.96754	6.1
133.99086	0.7
136.95381	1.0
137.34441	0.5
140.54355	0.6
141.12787	0.7
141.13879	30.3
142.12282	100.0
154.96513	0.8
156.67810	0.6
158.09625	0.7
159.14952	5.2
159.96986	0.9
177.98108	4.8
184.14468	42.7
201.17114	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05651	0.4
61.29533	0.4
61.39428	0.4
71.04990	2.0
72.08157	15.7
86.09719	0.5
87.54575	0.4
92.17804	0.6
93.25356	0.5
97.07668	1.1
97.34275	0.5
98.06081	0.7
100.07616	8.2
114.10292	24.6
115.08695	10.2
118.96793	0.6
137.32487	0.5
141.12747	0.9
141.13869	31.6
142.12277	100.0
154.96390	0.6
159.14917	4.6
184.14444	43.9
201.17102	76.1
224.48088	0.7
224.91273	0.5
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
54.02643	0.8
55.05490	0.9
55.87665	0.7
56.42626	0.9
57.07059	1.8
59.93123	1.0
65.55476	0.7
66.73302	0.9
67.05496	5.5
69.07053	5.5
71.08601	1.3
77.94128	0.8
79.05495	4.5
81.07076	11.5
83.08618	1.2
84.58179	0.8
88.31488	1.1
91.05474	4.0
91.59706	0.8
93.07041	10.4
94.29659	0.8
95.08600	20.3
98.97596	0.8
100.95719	1.5
105.07038	14.9
107.08591	18.1
109.10146	6.0
111.69852	0.9
115.58286	1.0
117.07028	10.5
118.96148	1.6
118.96780	21.9
119.08582	15.8
121.10132	9.6
127.03857	1.3
129.06960	1.4
130.07797	1.0
131.08574	21.4
132.08061	0.9
133.10139	9.4
133.99077	7.7
136.95418	1.4
141.98227	1.0
143.08589	3.4
144.09358	3.7
145.06450	1.9
145.10127	64.9
146.10954	0.9
147.11833	1.5
154.96484	6.3
155.08597	1.2
157.10112	4.6
158.09628	6.8
158.10815	1.5
159.08012	3.2
159.09151	5.1
159.11691	74.4
159.97003	8.4
171.11684	3.6
172.12497	1.1
173.09697	1.7
173.13243	17.9
177.98053	21.0
186.11543	5.6
186.14035	4.7
201.05348	2.2
201.09094	4.2
201.12657	7.8
201.14114	5.3
201.16382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21530	0.5
59.43966	0.7
70.06593	6.7
82.68650	0.7
100.40017	0.8
130.06544	1.6
131.06821	0.8
143.07333	1.1
144.08104	19.6
158.09654	41.6
160.11201	1.0
170.09692	6.7
171.09183	3.1
172.11215	0.9
173.06012	1.3
185.10718	1.1
186.11522	42.6
201.05502	3.7
201.13881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1388
Annotation	Dexmedetomidine
Peak:m/z	Relative Intensity
59.93101	2.4
61.26987	1.7
66.09426	2.1
67.05518	3.5
70.06583	8.0
81.07063	3.8
91.05499	3.8
93.07040	4.5
95.08604	8.9
105.07021	7.6
107.08611	4.2
110.61623	2.2
115.98102	2.7
117.07062	4.0
117.96002	2.6
118.79335	2.1
118.96007	2.6
118.96783	52.7
119.08592	4.9
131.08572	11.5
133.10205	2.6
133.99136	14.8
136.95390	9.7
144.08110	29.0
145.10130	46.5
154.96501	14.1
157.10176	3.4
158.09676	60.8
158.10847	2.8
159.08093	3.9
159.11708	29.9
159.97050	12.7
170.09682	8.6
173.13260	13.5
177.98085	38.2
186.11572	62.5
201.09113	3.2
201.13896	100.0
201.16411	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1387
Annotation	Tetrahydrozoline
Peak:m/z	Relative Intensity
51.83053	0.3
70.06600	3.4
77.69337	0.4
91.05493	0.4
95.98110	0.3
123.51342	0.4
130.06519	1.9
131.08588	0.5
137.31387	0.4
144.08096	8.4
145.10181	0.7
157.70444	0.4
158.09647	20.5
160.11208	0.7
170.09622	3.0
171.09152	0.6
186.09863	0.8
186.11531	25.5
201.13878	100.0
209.39200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1387
Annotation	Tetrahydrozoline
Peak:m/z	Relative Intensity
54.52204	0.9
66.46097	1.0
70.06611	8.0
78.39453	1.0
83.30420	0.9
114.54101	1.0
118.96751	4.0
133.99075	1.1
144.08086	24.3
153.60359	1.0
158.09644	62.7
159.11633	1.0
170.09671	8.1
171.09216	2.1
173.06050	4.6
177.98033	2.3
186.11523	52.9
201.05493	5.4
201.13881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94260	0.8
59.93124	1.6
66.01019	1.0
70.06590	6.3
71.02529	1.1
72.49624	1.3
75.76973	1.1
91.05489	1.1
93.07026	1.6
95.08636	2.1
99.04459	1.5
100.95727	2.6
107.08591	1.7
117.95985	2.8
118.96019	2.7
118.96774	38.8
119.08591	2.2
121.10177	1.5
131.08549	2.7
133.99083	16.7
136.95421	6.4
143.07401	1.5
144.08105	24.7
145.10123	12.0
154.96466	11.4
158.09665	50.2
159.11696	5.9
159.97054	14.6
170.09627	9.6
171.09198	2.1
172.97508	1.3
173.05968	2.1
173.13257	1.2
177.98053	39.3
185.10829	2.1
186.11531	58.2
200.99768	1.3
201.05498	5.6
201.13908	100.0
201.16405	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	201.1386
Annotation	Tetrahydrozoline
Peak:m/z	Relative Intensity
52.11204	0.7
53.85483	0.6
61.60089	0.7
63.51867	0.8
70.06596	8.1
81.07027	1.0
85.82299	1.1
91.84026	0.9
92.65617	0.9
93.07024	1.0
95.08620	2.1
107.08578	1.3
109.10145	1.3
112.36170	0.9
118.96783	12.2
119.08583	1.5
130.06523	1.8
131.08600	4.6
133.10138	2.0
133.99103	2.0
136.95413	1.4
141.71742	0.8
143.60312	0.8
144.08083	26.8
145.10146	13.1
154.96460	2.0
158.09660	53.7
159.08070	1.0
159.11703	7.3
159.92998	1.1
159.97049	4.5
170.09666	8.1
171.09201	4.5
172.11377	1.0
172.24391	0.9
173.09586	1.2
173.13295	7.0
177.98070	10.6
185.10841	1.0
186.11545	59.9
201.13908	100.0
201.16371	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74618	1.4
51.82201	1.0
55.91762	1.4
58.89727	1.2
63.67974	1.4
70.06594	8.6
118.96775	13.5
131.17076	1.4
133.99117	3.0
135.05011	1.3
136.95419	2.6
144.08087	24.0
145.10127	7.7
154.96484	2.3
158.09654	54.4
159.11702	3.0
159.97021	3.0
170.09662	6.9
171.09166	2.8
177.98077	10.4
185.10680	1.9
186.09886	1.7
186.11537	64.2
201.13896	100.0
201.16451	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	201.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93101	2.4
61.26987	1.7
66.09426	2.1
67.05518	3.5
70.06583	8.0
81.07063	3.8
91.05499	3.8
93.07040	4.5
95.08604	8.9
105.07021	7.6
107.08611	4.2
110.61623	2.2
115.98102	2.7
117.07062	4.0
117.96002	2.6
118.79335	2.1
118.96007	2.6
118.96783	52.7
119.08592	4.9
131.08572	11.5
133.10205	2.6
133.99136	14.8
136.95390	9.7
144.08110	29.0
145.10130	46.5
154.96501	14.1
157.10176	3.4
158.09676	60.8
158.10847	2.8
159.08093	3.9
159.11708	29.9
159.97050	12.7
170.09682	8.6
173.13260	13.5
177.98085	38.2
186.11572	62.5
201.09113	3.2
201.13896	100.0
201.16411	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.2
70.06583	0.5
72.08155	0.5
74.25895	0.1
81.07059	0.2
83.61407	0.2
84.85912	0.2
86.09695	0.8
87.04472	0.2
88.22829	0.2
91.05472	0.2
95.04984	0.2
95.08622	0.2
97.25995	0.2
98.97562	0.3
102.86696	0.2
109.69170	0.2
118.96770	2.0
119.08582	0.2
124.53265	0.2
127.03380	0.4
133.99117	0.9
137.05994	0.8
137.09619	0.6
138.06339	0.2
141.11096	0.3
142.12280	0.2
144.08121	0.4
148.10158	0.2
154.06572	0.3
154.96382	0.2
155.03377	0.4
155.07195	0.3
155.11797	0.2
156.08095	100.0
158.09683	0.5
159.97023	0.8
169.06206	0.3
177.98076	2.4
183.08435	0.2
186.11540	0.4
201.05396	0.2
201.10323	7.6
201.12273	0.4
201.13924	0.4
201.17244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.0
60.04546	2.0
62.47056	1.5
67.05495	1.9
72.08157	4.0
73.02912	6.9
84.04506	6.4
85.02895	2.3
96.06422	2.0
98.97588	6.9
99.70544	1.6
101.00883	27.8
101.02576	1.9
113.00867	6.3
114.17726	1.7
116.98573	2.1
118.96790	16.6
119.01927	100.0
126.62838	1.9
131.01906	25.9
132.01988	11.7
133.03450	16.7
133.99112	3.5
137.02969	16.2
142.03500	3.2
142.08797	1.9
143.01912	2.5
145.03482	8.2
149.02962	7.2
151.04536	2.7
154.96526	2.3
155.01924	7.3
155.03661	14.4
157.05208	2.5
158.09682	2.8
158.97263	2.3
159.98285	1.9
160.01511	2.7
160.04575	11.9
161.02898	1.9
163.31487	1.7
173.02960	18.1
173.04456	2.1
177.02451	2.0
177.98068	8.9
178.02600	11.4
183.03145	8.2
183.09572	9.2
191.03989	9.3
192.05637	1.7
200.98244	2.3
201.02463	73.4
201.04225	18.9
201.08624	1.8
201.10480	3.8
201.12411	7.6
201.13972	2.3
219.03493	42.2
219.05383	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	200.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	6.7
67.00329	1.4
71.08615	3.3
74.06065	6.5
76.93378	18.0
88.07639	22.2
94.94371	2.4
98.97585	2.9
102.09193	12.6
116.97212	7.8
117.95991	87.6
117.97482	2.4
134.95885	1.8
135.97055	16.4
158.98732	1.7
176.98837	3.5
200.20111	100.0
209.93826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.4
56.05042	0.4
57.07066	0.4
58.06363	0.5
58.06610	9.6
65.64295	0.3
66.66604	0.3
70.06596	17.4
72.08160	49.6
74.92538	0.3
84.04504	0.5
84.08148	25.1
86.09709	27.3
97.08931	0.7
98.09697	48.6
98.97604	2.5
99.61959	0.4
100.07620	0.5
110.09687	3.4
112.07559	0.3
112.11241	26.5
114.12804	34.5
115.12337	12.6
116.63918	0.3
126.02505	0.5
126.12794	100.0
128.14352	1.5
129.10291	0.4
129.13867	10.6
131.15445	54.6
136.06181	0.5
141.04800	2.2
158.99680	0.5
183.11316	0.4
183.18619	1.4
189.46953	0.4
200.08531	0.6
200.12340	1.4
200.17583	2.4
200.21225	6.3
219.84435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1648
Annotation	Kinabalurine G
Peak:m/z	Relative Intensity
55.05521	1.0
58.06364	0.3
58.06608	5.3
59.06882	0.2
61.69874	0.2
67.05500	1.5
69.07081	2.9
71.04992	0.4
72.08160	0.4
72.68366	0.3
72.74747	0.3
79.05532	0.2
81.06618	0.3
81.07066	6.4
83.08620	1.5
84.08173	0.3
85.06561	0.3
86.09716	0.4
95.08595	1.5
98.09654	0.4
98.97588	0.6
104.27766	0.2
105.07024	1.7
107.08580	0.6
109.06477	0.5
112.07602	1.6
116.98607	0.3
119.08578	1.3
121.10134	1.4
123.08085	0.4
123.11707	4.7
127.07555	0.6
128.91231	0.2
130.08662	0.3
137.13179	0.3
147.11705	4.9
165.12749	1.5
182.15417	7.2
200.16466	100.0
209.45657	0.3
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	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.51795	0.3
57.02219	0.4
69.03423	0.5
71.08643	4.7
84.04505	3.8
85.02905	6.5
86.48034	0.4
88.11274	6.9
98.06049	0.5
98.97580	1.0
102.05572	4.5
124.92638	0.6
130.05008	44.7
172.07574	1.0
172.13350	3.4
200.07068	3.7
200.12823	100.0
203.70035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1284
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
56.51224	0.6
56.52935	0.7
56.96564	0.8
63.66491	0.9
66.52781	0.7
67.05505	0.9
69.07047	1.1
70.06599	15.7
71.08619	4.7
72.08135	1.3
81.07066	0.7
84.04507	5.8
85.02911	12.8
86.09722	2.6
88.11261	1.7
90.08628	0.6
92.17812	0.8
98.97056	1.0
98.97588	16.7
102.05554	11.3
104.03448	0.9
105.03371	4.4
112.03948	0.9
112.08427	0.9
116.98626	8.4
117.95958	1.4
128.07962	0.8
130.05005	90.3
134.99658	3.2
135.97070	0.9
140.11514	1.3
143.70146	0.8
154.04126	1.1
154.12213	1.4
155.11830	1.0
158.99652	0.9
172.07570	1.2
172.09644	1.1
172.13309	1.1
176.98459	0.9
200.04691	1.0
200.07036	2.9
200.09035	2.6
200.12811	100.0
200.19977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1285
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
59.86881	0.7
71.08646	5.9
84.04520	7.7
85.02905	12.1
86.09700	1.0
88.11258	1.5
95.01323	0.9
98.97572	1.3
102.05544	14.9
112.03953	0.9
112.11816	0.7
116.98637	0.8
117.95968	1.4
130.05013	99.6
134.99785	0.7
144.05707	1.0
144.46858	0.7
156.26558	0.7
159.36617	0.7
162.29848	0.7
172.05176	3.5
172.13344	1.0
200.04692	6.6
200.12836	100.0
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
51.09058	0.5
53.53171	0.4
55.31923	0.5
63.76629	0.6
65.16290	0.5
68.63556	0.5
69.51981	0.7
71.08640	5.9
84.04504	3.0
85.02926	6.9
87.04446	0.8
88.10802	0.7
88.11279	7.0
90.15314	0.6
98.97595	1.4
102.05560	5.1
106.29059	0.6
127.30376	0.5
130.05011	38.7
140.04610	0.7
141.05031	4.0
166.41321	0.6
172.13347	3.2
186.79533	0.6
200.12825	100.0
200.53516	0.7
218.56163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.092
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
51.71282	0.4
55.01907	0.6
56.05056	0.3
56.96622	0.5
57.03458	0.6
67.05547	0.7
69.71581	0.4
70.06625	2.3
72.08171	0.9
73.02901	0.4
76.35989	0.4
84.08127	0.6
85.02943	0.6
86.09709	0.8
87.04518	0.4
88.91473	0.4
91.05528	0.5
93.07033	1.4
94.06554	2.9
95.04983	1.0
95.06123	1.9
95.08607	0.5
96.05314	0.7
97.06712	0.6
98.97586	15.5
99.97940	0.6
108.08134	6.4
110.06029	4.8
110.09692	0.8
112.03981	0.8
112.07616	0.5
114.23840	0.4
114.98314	0.5
116.97297	0.7
116.98617	8.8
121.06546	0.4
122.06025	29.2
124.07636	0.5
126.02713	0.4
126.09265	0.6
126.12818	0.4
129.12256	0.4
131.04901	0.7
134.99672	4.1
135.00554	0.4
136.07581	34.6
137.05983	0.7
138.09181	2.8
140.00246	0.5
140.04657	0.7
140.07077	6.2
141.05006	4.7
144.62971	0.4
154.05016	2.0
154.08621	29.0
155.07018	0.7
155.11777	0.4
156.07428	0.7
156.10175	0.8
156.14009	0.5
157.41574	0.4
157.97559	0.4
158.01219	0.5
158.99644	0.8
164.07056	21.9
167.66119	0.4
172.07536	0.6
172.09692	0.9
177.00671	0.5
182.08128	100.0
187.44669	0.4
200.09169	53.1
200.12878	2.0
200.19873	0.5
219.01575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1918
Annotation	GUANETHIDINE
Peak:m/z	Relative Intensity
52.84848	0.6
60.05659	40.6
69.07075	35.6
70.06586	1.1
72.08160	87.5
79.41760	0.7
84.05599	0.8
84.08135	1.0
89.10785	1.4
95.04932	0.9
96.06445	1.0
97.07676	5.4
98.96182	0.8
98.97613	8.8
111.38792	0.7
114.10291	40.3
116.97220	7.3
116.98608	3.0
128.11847	45.4
131.12935	20.8
131.99574	1.4
134.95941	0.8
140.14311	3.6
150.55313	0.7
152.96907	2.8
155.13756	1.1
157.17003	0.9
157.97531	3.4
161.52454	0.7
164.23965	0.6
171.12724	0.8
175.98552	7.3
182.16531	4.5
199.19186	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1807
Annotation	Cycluron
Peak:m/z	Relative Intensity
55.05521	1.9
63.19418	0.3
68.57950	0.3
72.04528	5.8
74.09725	100.0
83.08623	5.7
84.65721	0.4
89.52137	0.3
90.92813	0.3
95.44901	0.4
98.97589	1.5
99.72255	0.3
100.07624	30.4
116.97223	2.0
116.98639	0.5
117.10245	2.4
157.97464	1.3
175.98552	2.4
199.18069	36.2
201.04526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1483
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
55.05504	0.3
55.86428	0.3
57.07080	0.5
69.07076	1.2
69.12404	0.3
74.33089	0.4
83.08577	0.4
98.97602	6.6
105.07021	0.4
107.08617	0.6
111.04458	1.3
115.05436	0.5
115.96436	0.8
116.97239	9.6
116.98537	2.5
128.06219	4.2
129.06995	1.5
131.99557	2.9
134.95900	2.2
134.99651	0.4
141.07048	2.7
142.07808	3.4
143.08574	34.5
144.08029	0.4
144.09352	0.4
145.10106	0.5
152.96928	2.1
155.07399	0.3
155.08556	2.1
156.09354	17.4
157.08907	0.8
157.10132	19.7
157.97453	3.8
158.01173	0.4
158.15408	0.4
164.73384	0.4
171.11699	4.1
175.98547	8.6
183.09212	3.6
184.09937	4.7
189.73476	0.4
196.09723	0.3
199.12338	100.0
199.14832	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	199.1331
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.05524	7.7
56.96585	1.5
57.07087	11.5
57.93562	2.5
67.05513	1.5
69.07070	1.4
74.09705	1.1
75.94598	2.2
76.81538	1.0
78.30884	1.0
81.07067	4.6
83.04977	6.9
85.06558	2.4
93.07069	8.0
93.07553	1.0
95.08615	10.1
97.06563	1.9
98.96191	5.2
98.97597	44.6
102.09187	14.6
105.07015	1.5
107.08600	14.6
109.06508	1.5
109.10166	1.7
109.64682	1.3
111.04449	100.0
111.08067	1.8
113.98498	2.1
115.96473	6.0
116.97240	88.2
116.98533	18.3
121.06513	4.6
121.10124	2.2
125.05994	29.0
126.96778	1.5
127.07549	1.6
131.99564	27.4
134.95908	16.1
134.96912	1.6
134.99666	6.0
135.08109	14.9
135.11696	21.8
139.07590	1.3
139.98816	1.1
140.00278	2.8
145.10146	17.1
152.96931	22.0
153.12749	4.4
157.97472	28.0
158.01222	4.5
158.15408	74.4
163.11182	26.1
175.98535	70.5
176.02267	1.9
181.12245	38.1
193.99605	1.3
199.00226	1.6
199.07516	2.5
199.10966	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	199.1226
Annotation	Tacrine
Peak:m/z	Relative Intensity
50.47931	0.3
52.98426	0.3
55.05499	0.4
57.96603	0.3
58.75409	0.3
59.47427	0.3
60.08153	0.3
61.44094	0.3
69.07065	0.7
74.09711	0.5
92.18409	0.6
93.07067	0.5
95.06045	0.4
96.06416	0.7
98.96174	0.6
98.97581	6.9
105.07063	0.4
111.04437	0.5
115.96423	0.4
116.96372	0.5
116.97235	11.0
116.98589	3.7
119.08536	0.4
131.99556	3.9
134.95865	1.8
134.99603	0.4
139.03967	0.4
142.07776	0.4
143.08560	1.6
144.08105	0.5
152.96922	2.5
155.13693	0.6
156.09370	0.4
157.08934	0.5
157.10083	2.6
157.97476	3.6
158.01176	0.4
171.11693	1.5
172.07524	0.4
175.98532	9.7
179.83678	0.3
183.09166	3.9
184.09950	3.2
194.83778	0.3
199.12309	100.0
199.14783	2.9
212.37436	0.3
214.63721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.123
Annotation	Tacrine
Peak:m/z	Relative Intensity
52.23162	0.3
70.34454	0.3
98.97594	3.7
109.65765	0.3
116.97211	5.0
116.98545	1.0
131.99533	1.9
134.95857	0.5
138.02924	0.3
152.96962	0.6
153.13893	0.7
157.97456	2.2
161.61719	0.4
175.98564	3.5
183.09167	4.2
184.09962	4.4
193.04724	0.3
199.12309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87841	0.2
61.01759	0.2
70.11024	0.2
71.04989	1.1
77.71378	0.3
79.05517	0.3
85.16203	0.3
93.07048	0.2
98.96152	0.3
98.97585	9.4
113.98514	0.5
115.05455	0.3
115.96402	0.5
116.96378	0.4
116.97231	9.2
116.98575	4.3
123.58401	0.3
131.99548	3.7
134.95842	1.6
134.99635	1.1
140.00220	0.5
143.08495	0.3
144.00595	0.3
144.44887	0.2
152.96910	2.3
157.08870	0.4
157.10075	0.5
157.97493	3.2
158.01216	1.1
175.98534	8.3
183.09172	5.1
184.09914	3.5
188.42897	0.3
199.12302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52428	0.3
73.34785	0.3
81.75079	0.3
98.96159	0.4
98.97581	3.9
102.58125	0.4
105.07013	1.3
107.08552	0.5
113.98512	0.4
116.97240	5.6
116.98584	1.6
131.99532	1.7
134.95872	0.6
143.08582	2.4
144.08055	0.5
152.96928	1.5
156.09341	0.5
157.08925	0.5
157.10080	3.3
157.97466	2.6
171.11690	0.6
175.98502	5.3
183.09155	3.5
184.09933	3.5
197.27242	0.3
199.12296	100.0
199.14742	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	199.0603
Annotation	Syringic acid
Peak:m/z	Relative Intensity
51.02376	0.2
53.03957	1.3
55.01867	0.4
60.08154	0.3
65.03942	0.9
67.05515	1.4
67.35353	0.2
69.07059	0.2
77.03935	1.5
92.18324	0.2
93.03398	0.4
93.07027	0.2
95.04971	24.1
96.06426	0.4
97.02865	0.8
98.97584	7.1
105.04536	2.0
109.06508	0.2
110.03661	0.4
111.04446	0.8
116.97250	1.8
116.98620	3.5
121.02859	1.7
123.04429	14.3
125.02348	4.3
131.99547	0.3
134.99649	1.0
139.03912	0.8
140.04686	100.0
149.02324	0.4
152.96892	0.3
153.05458	0.3
153.09045	0.2
155.07024	17.8
157.10042	0.3
157.97505	0.9
158.01216	0.7
167.03413	1.8
171.54308	0.2
173.08118	0.4
175.98500	1.8
176.02151	0.2
178.19168	0.2
181.04974	5.6
181.06427	0.3
199.05957	1.9
199.07428	0.3
199.12596	0.3
199.14775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12095	0.6
57.43931	0.6
60.08174	25.4
61.08500	9.7
68.05028	1.0
95.06094	69.8
96.05801	10.3
96.06416	73.7
96.17807	0.8
98.97574	9.7
116.98613	1.4
119.01965	1.1
138.96423	13.3
140.02435	3.0
153.01396	0.7
154.13388	7.3
155.13779	43.2
156.97478	100.0
157.97575	5.7
158.01208	1.2
162.01921	1.1
174.98534	42.6
175.00056	1.7
175.98579	3.9
180.97626	2.0
180.99223	13.1
198.98561	25.8
199.00252	4.1
199.12733	16.1
216.99582	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00481	0.3
55.05510	0.5
55.56425	0.3
56.96569	0.4
57.07072	1.8
57.93554	0.4
66.43909	0.3
70.06596	0.7
70.68491	0.3
70.95887	0.3
71.04977	0.4
71.43697	0.2
71.95921	0.3
73.10072	0.3
74.93171	0.6
74.93841	10.6
75.82580	0.3
86.06079	3.2
86.09715	0.4
92.94881	2.5
93.26147	0.3
95.08629	0.4
97.99211	0.5
100.11262	9.1
111.98453	1.5
112.98784	0.6
114.12814	1.2
115.96445	57.1
116.10741	3.1
116.97203	0.6
117.14695	0.3
124.11233	1.9
126.12794	6.1
132.95833	2.0
133.96080	1.1
133.97490	11.7
142.11200	0.6
142.12289	18.3
150.96895	1.4
151.97009	0.5
155.97453	0.6
156.17506	5.0
156.97693	2.0
156.99077	1.4
158.01245	0.3
172.58925	0.3
174.98796	1.1
198.18542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.6
57.07075	3.9
69.07083	8.6
71.08637	1.0
72.08160	1.2
74.93830	18.0
79.07936	0.9
80.17690	0.8
81.07064	7.2
83.08627	15.1
84.08141	1.2
86.06072	1.2
92.94873	5.1
93.07043	1.7
95.06089	4.2
95.08608	4.3
97.06525	4.1
97.10175	9.5
100.07632	5.8
104.43047	1.0
107.08602	3.9
111.08069	4.7
111.98502	1.6
114.09182	4.3
115.96443	100.0
121.10155	4.8
132.95822	4.3
133.96008	2.3
133.97476	22.1
135.11702	2.0
150.96867	2.1
155.97394	1.4
156.97702	6.2
156.99075	3.7
163.14847	13.2
174.98746	2.4
181.15854	7.9
198.18481	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15413	0.1
54.74200	0.1
55.05503	0.1
57.31844	0.1
60.05659	0.1
60.08179	0.4
60.08976	0.1
68.05031	0.2
69.06694	0.2
69.07076	4.5
70.06597	100.0
71.05003	0.5
72.08160	0.1
88.07643	0.5
92.17807	0.1
95.06103	0.7
111.09216	0.1
112.08747	0.1
115.71983	0.1
121.04015	0.2
130.09767	1.6
132.95868	0.2
139.05067	0.4
154.13441	0.2
155.97430	0.1
156.97691	0.1
170.09648	0.1
180.14969	2.2
198.08881	0.7
198.12482	0.5
198.16064	3.6
198.17827	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	198.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05278	0.2
53.20591	0.3
58.98957	0.3
60.08173	26.8
68.05038	2.4
71.62155	0.2
71.92906	0.2
74.86845	0.3
92.18465	0.6
95.06095	100.0
111.05524	0.5
151.28645	0.3
154.13393	40.1
172.43901	0.4
198.12386	12.9
211.97769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50683	0.3
58.74027	0.2
60.08170	26.2
61.86875	0.3
67.59566	0.3
68.05033	2.4
69.49887	0.2
81.58254	0.3
88.72025	0.2
90.64909	0.3
95.06092	100.0
111.05574	0.5
121.16140	0.3
131.90091	0.3
139.05016	0.3
154.13391	39.1
161.95822	0.3
165.09018	0.4
169.30147	0.3
198.12389	12.0
198.14116	0.5
202.01765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
55.05510	0.5
56.05038	2.3
57.41167	0.5
60.04523	0.5
60.08179	0.6
61.23718	0.5
67.05516	27.2
68.05030	1.0
68.95494	0.5
70.06589	0.8
74.02438	1.3
77.80167	0.5
79.05505	13.6
81.07066	9.5
81.23144	0.5
82.06590	6.1
84.04511	4.5
84.08147	2.5
88.04002	0.6
91.05477	2.5
93.07052	8.7
95.06080	3.6
95.08614	6.2
98.09694	2.1
107.04977	5.6
107.08601	14.2
108.08124	0.9
109.06549	0.8
109.10164	27.2
110.06056	2.8
110.09676	3.0
114.05540	2.2
117.07039	4.2
123.08050	1.1
124.11233	43.4
125.09593	0.6
128.07115	1.1
134.09662	13.5
135.08058	20.6
152.10712	100.0
153.09117	2.0
156.97675	1.0
170.11763	52.4
180.10194	2.8
182.73045	0.5
185.45877	0.5
198.11218	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	197.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85454	0.4
60.04512	2.1
61.30770	0.5
70.95867	10.0
72.04515	10.9
72.08157	14.9
72.93773	3.3
83.83624	0.5
84.05638	25.5
84.67631	0.4
91.05461	0.7
92.17921	0.5
109.06514	1.2
111.98476	30.7
113.96366	1.0
114.09167	78.5
116.83761	0.6
119.04987	0.8
123.04426	0.6
129.99507	3.3
132.95836	43.1
137.05995	7.4
138.10272	0.8
143.74680	0.4
147.04437	1.1
150.96889	24.6
151.03915	0.8
155.97421	43.0
163.97633	0.5
165.05510	0.9
165.13835	1.0
173.80667	0.5
173.98491	19.7
197.13974	100.0
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	Phenol A
Peak:m/z	Relative Intensity
50.04133	0.5
50.91372	0.6
60.28500	0.5
61.40248	0.6
65.03938	0.7
68.92978	0.7
70.95844	3.4
71.43291	0.6
72.93798	1.0
78.62815	0.7
81.07043	1.4
91.05473	4.6
93.07049	12.1
95.04959	3.4
95.08581	0.8
105.07047	7.8
107.07879	1.4
107.08602	41.5
109.06524	3.5
109.10141	4.1
111.98492	10.3
113.96423	1.2
119.08585	5.0
121.06509	5.3
123.04420	1.3
123.11706	1.5
129.99507	0.8
132.95834	19.6
133.09126	1.3
133.10138	42.7
135.11697	50.1
137.05960	1.7
137.09604	3.2
150.96906	9.6
151.11209	4.9
155.97435	16.9
161.09615	28.6
173.98502	7.1
179.10674	100.0
197.11742	88.6
205.62636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.4
72.93401	0.3
72.93790	7.8
83.08620	11.4
86.62270	0.2
90.94810	2.3
92.78893	0.2
98.06055	0.2
101.38209	0.2
112.11222	0.4
113.96401	27.1
114.12804	26.0
122.09620	0.3
131.96143	1.4
131.97435	9.5
149.97183	1.1
150.09137	0.4
154.97821	0.4
154.99059	0.3
166.12279	0.4
167.99779	0.2
172.98834	0.2
178.12312	0.9
196.04269	0.4
196.20601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.1123
Annotation	2-Fluoroethcathinone
Peak:m/z	Relative Intensity
58.89224	0.1
59.88699	0.2
69.71713	0.2
72.93461	0.2
72.93792	3.4
73.04943	0.2
77.57766	0.2
80.01122	0.2
90.94809	0.8
92.17905	0.2
110.58576	0.2
113.96404	11.9
114.42032	0.2
119.70871	0.2
124.74181	0.2
131.96162	0.3
131.97427	3.2
141.07047	0.2
149.97214	0.2
168.08070	1.0
171.89949	0.2
178.06012	0.3
181.01666	0.2
196.11220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
55.05511	5.0
57.03434	5.4
59.31961	3.6
67.05506	52.5
69.07065	16.5
71.04963	6.7
71.94090	23.9
71.95261	30.6
79.05488	26.2
81.03417	4.0
81.07059	100.0
83.04986	8.6
83.08622	5.9
86.37709	4.1
89.06021	19.6
91.05476	15.7
93.07054	59.3
95.04954	4.5
95.08623	52.7
97.06541	14.8
105.07060	4.3
107.04942	3.8
107.08582	26.1
109.06506	5.8
109.10153	3.9
109.98980	4.3
111.08108	9.2
112.96697	30.4
112.97872	8.1
117.06989	7.2
121.10122	15.3
121.27172	4.0
130.96332	5.8
130.97835	4.9
131.00041	4.1
131.08583	8.9
133.10120	18.1
135.11714	42.0
149.13245	26.4
159.11703	21.1
177.12743	21.0
178.13396	4.8
195.12347	5.9
195.13908	24.0
195.16058	5.6
210.65541	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03961	2.1
55.01876	2.4
55.05530	16.1
57.03444	3.7
57.07076	2.4
57.13156	1.6
61.80817	1.4
66.57724	1.3
67.05513	70.4
69.07072	15.3
70.98126	1.8
71.04997	6.8
71.94113	17.3
71.95267	28.0
79.05502	36.0
81.03432	19.9
81.06603	3.5
81.07067	100.0
83.04982	16.1
83.08634	16.3
85.06554	3.8
89.06031	10.8
91.05489	28.7
92.64509	1.6
93.07053	68.5
95.04985	7.6
95.08619	41.9
97.06564	18.4
97.08530	1.8
99.08025	2.0
105.07052	8.7
107.05001	2.6
107.08590	29.0
109.06517	2.1
109.10170	7.5
111.08101	10.4
112.96721	35.3
112.97884	4.2
113.09621	2.1
117.07029	17.9
119.08596	3.6
121.06501	10.2
121.10139	20.6
130.96289	3.4
130.97798	6.7
130.98898	2.9
131.00050	10.8
131.08580	14.1
133.08615	2.0
133.10139	28.3
135.07997	2.2
135.11696	32.3
140.05991	1.8
148.97368	2.1
149.09683	2.2
149.13263	36.6
151.11217	3.2
151.96368	2.1
153.97908	3.6
153.99268	1.9
154.01628	3.8
159.11679	25.2
171.99066	2.0
177.12729	17.1
193.01450	1.7
195.11827	2.5
195.13809	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.66565	1.4
55.01862	2.1
55.05508	9.4
57.03430	8.0
57.07072	3.0
64.91756	1.9
67.05511	60.9
69.07070	18.4
71.04973	3.4
71.94109	18.8
71.95264	22.8
79.05492	33.2
81.03436	15.6
81.07064	100.0
83.04565	1.8
83.04964	12.5
83.08619	14.1
85.06548	6.6
89.06027	7.5
91.05492	21.5
91.60835	2.1
93.07047	64.9
95.04977	4.2
95.08605	39.4
96.91616	1.8
97.06528	17.0
99.08092	2.6
105.07018	4.2
107.04941	3.8
107.08602	36.0
107.39880	1.8
109.10194	2.5
109.69403	1.7
109.98968	4.5
111.08087	10.8
112.96708	37.3
112.97861	2.9
113.09633	1.7
117.07000	12.4
119.08568	2.7
121.06499	8.9
121.10155	19.9
130.07809	1.7
130.96306	8.4
130.97771	8.4
130.99051	2.1
131.00027	10.4
131.08627	13.8
133.10115	19.5
135.08029	3.0
135.11690	33.8
148.97366	7.8
149.13271	34.8
153.97919	8.2
154.01646	4.4
159.11682	21.8
163.03993	1.9
171.99036	3.4
177.12758	17.4
177.16432	3.8
195.08562	1.7
195.13837	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	195.1383
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
55.01881	3.4
55.05514	11.0
57.07068	2.6
67.05510	54.1
69.07078	21.1
70.07671	2.9
71.01337	3.1
71.94102	15.8
71.95259	38.6
79.05507	32.5
81.03414	18.2
81.06606	4.0
81.07067	100.0
83.04976	16.8
83.08618	17.6
84.70322	3.0
89.06042	22.5
91.05476	17.4
93.07047	60.3
95.04984	4.4
95.08622	42.7
97.06522	15.2
105.07027	5.7
107.08597	30.3
109.06562	3.6
111.08092	4.9
112.96719	42.1
112.97875	4.3
113.84592	2.9
114.63791	2.9
117.07014	15.3
121.10136	15.4
130.96301	3.5
130.97795	5.5
130.98920	4.2
131.08577	7.4
133.10130	20.9
135.08102	3.5
135.11688	43.6
149.09546	3.9
149.13283	34.8
152.11850	3.1
153.97910	4.1
159.11668	32.7
166.04424	3.3
168.11157	3.0
171.99057	3.4
177.12704	23.6
195.13843	28.0
209.98177	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
52.32699	1.3
55.01870	2.6
55.05526	16.0
57.03433	7.0
57.07088	2.2
57.31432	1.6
60.09593	1.7
67.05181	3.0
67.05515	63.9
68.96323	2.2
69.03426	1.6
69.07073	15.5
71.04986	3.9
71.94115	20.6
71.95277	21.8
79.05074	2.1
79.05503	47.7
81.03421	11.0
81.07066	100.0
83.04979	29.4
83.08628	12.6
85.06562	1.9
89.06036	14.0
91.05483	25.2
93.07046	71.6
95.04967	10.7
95.08613	48.0
97.06544	18.6
105.07040	8.4
107.04973	2.8
107.08604	29.8
109.06514	4.2
109.10139	2.3
109.84102	2.2
109.98959	9.2
111.08080	10.2
112.96717	47.1
112.97900	7.9
117.07013	16.0
119.08585	2.7
121.06499	8.4
121.10136	13.4
123.08070	2.3
128.08350	1.8
130.96312	10.4
130.97766	8.9
130.98911	3.8
131.00037	4.0
131.08560	17.3
133.10138	20.1
135.08047	7.2
135.11700	31.7
139.07574	2.5
147.11667	2.1
148.97345	13.0
149.09529	3.1
149.13274	25.0
152.05949	3.9
153.09003	1.8
153.97882	14.8
159.11694	32.2
171.98900	6.1
177.12714	17.2
195.11697	7.0
195.13821	33.9
213.78700	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
55.01882	1.7
55.05510	9.8
57.03447	2.7
57.66224	1.8
67.05180	2.9
67.05515	53.8
67.05876	2.0
69.07069	16.7
69.19227	1.7
71.01357	2.2
71.04983	2.5
71.94100	2.4
79.05503	37.5
81.03419	10.8
81.07068	100.0
83.04978	10.6
83.08643	15.1
85.06541	3.5
86.92737	1.6
90.34551	1.5
91.05475	31.6
93.07051	69.2
95.04974	3.6
95.08043	3.1
95.08614	41.6
97.06535	14.5
105.07011	12.8
107.04986	3.2
107.08583	22.9
109.06535	6.8
109.10164	6.9
109.98985	1.8
111.08081	8.7
112.96720	3.4
117.07037	18.1
119.08591	3.1
121.06490	9.6
121.10126	13.1
123.08076	2.1
123.11732	2.2
130.96284	2.2
131.08565	19.3
133.10135	41.0
135.08037	7.3
135.11702	54.4
149.12184	2.3
149.13281	35.9
151.11192	7.0
154.01666	2.1
159.11676	27.9
161.28183	1.6
171.99040	2.3
177.12762	20.2
195.13802	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03951	1.7
55.01884	1.6
55.05513	10.2
56.96568	3.2
57.03437	8.3
60.81490	1.2
61.82780	1.5
65.03961	2.0
67.05513	68.9
69.07070	16.2
71.04984	7.1
71.94102	9.4
71.95262	7.5
77.30603	1.5
79.05063	2.8
79.05501	51.3
81.03425	15.0
81.07065	100.0
83.04992	30.7
83.08634	11.5
85.06529	3.3
87.04431	2.0
89.06025	2.2
91.05482	27.7
91.24810	1.4
91.53224	1.4
93.07047	77.7
95.04951	13.1
95.08607	46.2
97.06543	18.6
97.10182	1.9
99.08096	2.1
105.07037	10.3
107.04977	3.7
107.08611	28.0
109.06521	7.6
109.10156	3.6
109.98925	1.9
111.08081	6.8
112.96734	14.3
112.97883	1.9
117.07024	18.4
119.08567	7.0
121.06488	7.2
121.10122	11.8
123.48495	1.5
130.96347	2.3
130.97751	1.6
131.00053	6.2
131.08545	21.7
133.10138	25.1
135.08072	6.7
135.11702	42.4
139.28192	1.6
147.11652	1.9
149.13264	26.4
151.11177	3.1
152.05971	10.9
153.97897	6.2
159.11688	28.0
171.98920	2.5
177.12764	17.6
195.13809	49.6
211.75578	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.50117	2.6
50.88641	1.7
54.42430	2.0
55.01871	2.2
55.05518	19.0
56.96582	2.2
57.03427	3.9
63.58534	2.1
67.05185	2.9
67.05513	61.2
69.07082	16.5
71.01392	2.4
71.04993	3.9
71.94114	23.0
71.95269	29.4
79.05497	43.7
81.03403	22.6
81.06606	4.5
81.07066	100.0
83.04982	15.0
83.08624	9.7
85.02927	2.4
85.06550	3.8
89.06025	13.8
91.05481	30.5
93.07049	73.5
93.79481	2.3
95.04982	13.9
95.08608	38.0
97.06535	23.7
99.08099	3.7
100.96199	2.4
105.07033	4.6
107.04961	11.4
107.05642	2.3
107.08585	28.2
109.06506	3.5
109.10169	2.5
109.98956	12.9
111.08079	9.7
112.96726	59.2
112.97893	10.0
113.09628	2.3
117.07033	15.7
119.08564	4.4
121.06504	12.1
121.10149	12.4
122.58288	2.2
123.54007	2.3
130.96310	10.9
130.97797	15.1
130.98944	3.1
131.00015	14.7
131.08571	14.4
133.10138	27.0
135.04396	4.1
135.08080	8.8
135.11708	41.5
148.97377	11.7
149.09657	3.2
149.13263	33.1
153.97925	14.6
154.01625	4.9
159.11726	30.1
171.98988	11.1
177.05435	2.4
177.12729	22.4
191.73228	2.4
195.09982	4.1
195.11789	5.1
195.13820	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1019
Annotation	F 11334A3
Peak:m/z	Relative Intensity
55.01868	7.2
55.05516	15.6
57.03426	9.9
57.07100	1.4
57.46678	1.4
65.03947	3.7
67.05192	2.7
67.05515	56.3
68.96320	3.2
69.03405	2.6
69.07082	12.2
71.01364	2.3
71.04987	4.0
71.94109	12.1
71.95259	15.0
73.42686	1.6
79.05502	56.1
81.03410	6.9
81.07066	73.9
81.08665	1.5
81.86204	1.4
83.01328	3.9
83.04994	11.4
83.08596	10.3
85.06549	23.6
87.04433	2.1
89.06017	10.0
91.05485	31.4
93.03414	11.7
93.07051	58.3
95.04945	21.0
95.08604	26.8
97.06529	15.7
105.07041	11.2
107.04952	26.6
107.08602	70.2
109.02895	3.1
109.06512	12.5
109.10148	3.6
109.98962	15.2
111.04427	10.7
111.08076	7.8
111.96889	2.4
112.96704	28.6
112.97875	6.7
112.99059	1.8
113.06004	1.6
117.07011	29.3
119.08556	2.5
121.02864	26.8
121.06489	13.0
121.10148	11.9
123.04427	65.2
125.06007	16.1
130.96309	18.0
130.97771	3.2
131.00050	5.9
131.08553	14.0
133.08588	2.1
133.10153	27.1
135.04405	6.4
135.08061	33.7
135.11713	34.2
137.05899	1.9
139.03905	28.1
145.06506	3.4
148.97395	13.4
149.09601	3.1
149.13283	26.0
151.11159	2.7
153.05434	16.4
153.09064	1.9
153.97900	18.9
154.01564	2.4
159.11647	19.7
163.03853	2.1
163.06061	1.4
163.07483	12.7
167.10655	5.8
171.98927	10.3
177.09009	1.8
177.12740	18.3
195.10149	100.0
195.13760	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	Zingerone
Peak:m/z	Relative Intensity
57.03461	0.3
65.03917	0.4
67.05515	1.6
67.46481	0.3
69.07052	0.4
71.94109	3.0
71.95267	3.2
73.52536	0.3
73.56831	0.3
77.34603	0.3
79.05500	4.9
80.39788	0.3
81.07066	2.2
89.06033	1.6
91.05481	4.1
93.06637	0.3
93.07075	4.4
95.04961	0.7
95.08604	0.6
97.06532	0.6
101.35824	0.3
105.07040	2.2
107.04988	2.5
107.08606	19.6
109.06531	1.9
109.10147	0.3
109.66013	0.3
109.98950	1.8
111.08083	0.5
111.43216	0.3
111.96850	0.4
112.96718	6.9
112.97868	0.5
115.05453	2.1
117.07022	34.2
121.06505	2.1
121.10168	0.6
122.50857	0.3
130.96300	3.5
130.97792	1.7
131.00085	0.5
131.08653	0.4
132.25903	0.3
135.08066	100.0
145.06490	6.7
148.97346	2.3
149.06035	0.4
149.09630	1.8
149.13249	0.5
153.97888	2.3
155.72237	0.3
163.03882	0.5
163.07541	25.2
167.07077	0.4
171.99002	1.4
177.09079	6.5
177.12686	0.4
190.70093	0.3
195.03082	0.3
195.08609	0.4
195.10062	2.7
195.13872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	2,4,5-Trimethoxystyrene
Peak:m/z	Relative Intensity
50.83214	0.5
51.03029	0.4
55.01886	1.1
68.96332	0.8
79.05500	5.6
81.07078	0.6
85.33787	0.5
89.06052	0.8
91.05496	4.0
93.07039	1.8
95.04971	4.4
96.32696	0.4
103.05468	6.7
105.07028	9.6
107.04966	100.0
107.08590	3.4
109.98944	2.7
111.04465	0.9
112.96731	0.6
115.05446	5.0
117.07002	4.2
119.04912	0.6
120.05718	1.9
121.06507	2.0
121.10219	0.7
124.05200	1.2
125.05992	3.4
130.08752	0.5
130.96310	5.0
131.04950	1.1
131.08601	1.0
135.04404	0.9
135.08069	33.7
135.11687	1.0
137.02406	1.0
137.05995	3.3
139.03905	0.5
141.40906	0.5
145.02873	1.2
145.07614	3.2
148.97319	3.7
149.05972	1.9
149.09607	2.6
151.07542	0.6
152.04565	0.5
152.08331	0.6
153.05458	5.8
153.97871	5.3
154.06247	8.4
163.03883	1.0
163.07535	47.7
165.05379	0.7
167.07040	47.3
171.98949	3.1
177.05466	0.9
177.09116	1.0
177.12729	0.8
180.07813	10.8
185.28676	0.5
195.02950	1.0
195.10176	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0767
Annotation	Makaluvic acid B
Peak:m/z	Relative Intensity
50.32692	0.6
54.01224	0.5
63.34981	0.6
64.30316	0.7
65.65913	0.6
68.96316	0.6
69.02656	0.5
71.97649	0.6
72.08147	0.7
80.04992	1.2
81.04531	1.2
84.04519	0.9
84.08135	3.3
86.09727	1.0
94.06553	2.7
98.97575	5.5
102.61768	0.6
104.04988	4.3
106.05284	0.9
106.06542	2.6
107.06073	8.1
109.98936	2.8
111.05569	0.7
112.97861	0.6
116.98607	1.2
121.07629	22.7
125.06009	0.8
130.96281	3.8
131.06056	54.0
132.04364	0.9
133.07619	79.4
135.04507	0.7
135.05539	18.2
148.97365	2.6
149.07106	51.8
153.05469	1.3
153.97847	3.4
158.42532	0.7
159.05553	16.0
171.98946	2.5
177.06590	100.0
190.30144	0.6
195.07648	78.9
195.11304	5.0
195.14876	0.7
207.94753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73327	0.2
52.03040	0.2
65.03956	4.0
68.96323	0.4
77.00722	0.2
77.92553	0.2
84.08130	0.3
89.05978	0.3
91.05492	5.0
93.03412	13.7
95.04927	0.4
96.00427	0.2
98.97559	0.6
107.04980	0.5
109.98949	2.2
110.03673	1.5
111.04449	14.8
116.98545	0.3
117.03417	0.5
119.04948	5.9
123.59648	0.3
125.05998	43.1
130.96301	3.2
135.04506	0.3
145.02856	1.4
148.97324	2.4
149.05980	1.3
151.07574	1.1
153.05476	100.0
153.97882	3.5
163.03909	1.3
171.98994	1.9
177.05460	3.5
195.06400	4.6
195.08099	0.4
195.11073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45441	0.3
57.03434	0.5
65.03963	3.3
73.02932	0.5
80.84703	0.4
85.02872	0.7
89.06074	0.4
91.05478	4.3
93.03405	10.6
98.97584	1.3
101.53438	0.4
107.04955	0.8
109.98959	1.9
110.03637	1.5
111.04446	17.2
119.04955	5.6
125.05989	44.1
130.96330	3.9
131.01889	0.5
145.02821	0.4
148.97362	2.0
149.08228	0.5
149.09624	0.5
150.06689	0.4
151.03868	0.5
153.05467	100.0
153.97917	3.7
154.03467	0.5
171.98933	2.7
172.02785	0.7
177.05469	0.5
177.09149	0.5
190.02501	0.4
195.06528	5.4
195.08269	0.6
195.11404	0.4
202.49561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84275	0.2
63.80918	0.2
65.03956	3.5
65.70171	0.3
66.37488	0.2
66.93597	0.2
68.96328	0.6
70.06597	0.4
70.94260	0.2
72.08141	0.4
74.06078	0.4
81.86378	0.2
83.05006	0.2
84.08138	0.5
84.43729	0.2
89.06049	0.3
91.05486	4.5
93.03412	13.3
95.04971	0.2
97.06560	0.3
98.97594	0.9
107.04964	1.1
109.98945	2.8
110.03658	1.3
110.10046	0.2
111.04449	14.2
119.04958	4.1
125.05998	39.4
128.00002	0.3
129.10255	0.2
130.96317	4.4
135.04430	0.2
148.97337	2.4
149.06036	0.4
151.03896	0.3
151.07605	0.5
153.05476	100.0
153.97906	3.8
171.98958	2.2
177.05507	1.0
195.06447	5.1
195.11365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.05529	0.5
60.42087	0.2
63.02369	0.3
66.57453	0.3
68.96339	1.0
69.07085	0.3
70.94233	0.3
76.65979	0.3
78.04736	0.5
79.05492	0.6
81.07064	0.5
83.04984	0.3
85.02900	0.4
89.03915	5.6
89.06039	1.4
91.05489	1.6
93.03403	0.3
93.07056	1.1
95.04951	0.4
97.06512	0.3
103.05465	0.4
105.07037	0.5
106.04185	0.3
107.02712	0.2
107.04977	2.5
107.08590	1.6
109.06566	0.3
109.98976	4.0
111.04455	0.4
116.48661	0.2
117.03379	19.6
117.06956	0.3
119.08602	0.3
120.96828	0.3
121.06509	1.5
121.10114	0.5
122.07141	1.0
123.08017	0.3
125.05976	1.7
128.00021	0.4
130.96312	5.2
131.08588	1.1
133.12338	0.3
134.03636	2.5
135.04449	2.6
135.08041	1.6
135.11630	0.3
145.02853	82.4
148.84120	0.3
148.97363	2.8
149.05983	12.6
149.09619	1.9
149.13219	0.3
151.07509	0.4
153.05440	3.9
153.97884	5.6
162.03142	1.4
163.03893	9.1
163.07564	0.5
167.07010	1.1
171.98988	2.8
172.00258	0.4
177.05470	100.0
186.05437	0.5
195.02827	0.6
195.06534	1.8
195.08257	0.4
195.10143	1.0
201.66106	0.3
207.49533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.20528	0.2
51.67339	0.2
58.70876	0.2
61.77235	0.2
62.03919	0.2
67.33377	0.2
68.96349	0.2
71.94107	2.8
71.95277	3.6
75.16851	0.3
89.03936	3.8
89.06031	1.3
91.05482	0.3
93.07101	0.2
95.08613	0.3
107.04907	0.3
109.98940	2.0
110.52466	0.3
112.96714	7.6
112.97898	1.1
117.03384	16.8
121.06547	0.3
125.06036	0.3
130.96323	1.7
130.97772	2.1
130.98837	0.5
131.00026	0.4
134.03659	2.2
135.04445	3.6
145.02859	79.8
148.97380	1.5
149.05998	12.0
153.05455	0.4
153.97946	2.0
153.99031	0.2
162.03169	1.0
163.03896	7.0
171.98918	1.5
177.05476	100.0
186.05539	2.4
195.06581	1.8
195.08130	0.4
195.11543	0.6
201.80157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	Methyl 2-(4-methoxyphenyl)-2-oxoacetate
Peak:m/z	Relative Intensity
55.01874	0.4
58.30172	0.1
65.03950	0.2
66.20995	0.1
68.96335	0.2
70.06579	0.9
72.08160	0.3
73.89661	0.1
79.05495	0.8
83.04931	0.2
89.06027	0.7
91.00367	0.1
91.05476	0.7
93.07017	0.2
95.04974	0.4
97.00538	1.0
100.74609	0.2
103.05485	0.4
106.04217	0.3
107.04961	100.0
109.98944	1.3
110.19149	0.2
111.04451	0.7
111.96908	0.2
112.08743	0.2
113.03502	0.6
117.03410	0.8
119.04990	0.3
121.06509	0.7
121.10129	0.2
125.05975	1.3
127.99989	0.2
130.96321	1.3
131.04921	0.7
131.08617	0.2
135.04456	1.8
135.08083	0.3
135.11761	0.2
136.05264	0.2
137.05983	0.9
140.03923	0.2
145.02838	3.0
146.03198	0.3
148.97360	1.6
149.05995	3.2
149.09616	0.4
150.06760	0.3
151.07547	0.8
153.05469	4.5
153.97884	2.2
163.03879	1.7
167.06976	0.4
171.98952	1.2
177.05449	5.9
177.09116	0.4
178.05893	0.9
195.01064	0.7
195.06552	1.8
195.08179	0.3
195.10114	0.6
195.11623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93268	1.0
55.01878	2.7
55.05530	2.6
55.70407	1.2
55.70706	1.0
60.23750	1.1
68.03346	1.4
68.88345	1.4
83.08623	2.1
83.74928	1.2
83.78146	1.4
84.05643	81.1
91.05471	5.1
93.07046	38.2
96.05626	21.6
96.18003	1.2
98.07211	1.8
105.07040	12.2
107.08557	1.8
110.07157	20.2
111.08099	5.7
112.05103	2.2
113.05887	5.4
120.08145	1.4
122.06945	5.6
122.09655	5.2
124.08740	1.5
134.09628	11.7
136.07594	1.3
141.21326	1.3
148.07579	4.5
150.06284	1.5
158.54538	1.3
165.10214	15.8
166.08577	2.8
176.07071	1.7
176.11848	24.5
177.05447	8.7
194.08060	3.1
194.12912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.1
67.22234	0.1
70.94247	0.1
70.95870	0.1
77.03942	0.1
79.05495	1.6
86.61807	0.1
94.73499	0.1
95.04971	0.3
95.08591	0.1
98.97620	0.1
102.05541	0.5
103.05482	1.3
105.07037	100.0
106.07367	0.2
111.96880	0.6
117.07042	0.2
117.16867	0.1
129.97865	0.1
134.06862	0.4
134.09657	7.1
134.10663	0.3
140.58929	0.1
143.01744	0.1
148.07510	0.1
148.90169	0.1
162.06285	0.2
165.19017	0.1
166.12144	0.1
187.46765	0.1
194.08002	0.2
194.11763	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	194.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.1
67.22234	0.1
70.94247	0.1
70.95870	0.1
77.03942	0.1
79.05495	1.6
86.61807	0.1
94.73499	0.1
95.04971	0.3
95.08591	0.1
98.97620	0.1
102.05541	0.5
103.05482	1.3
105.07037	100.0
106.07367	0.2
111.96880	0.6
117.07042	0.2
117.16867	0.1
129.97865	0.1
134.06862	0.4
134.09657	7.1
134.10663	0.3
140.58929	0.1
143.01744	0.1
148.07510	0.1
148.90169	0.1
162.06285	0.2
165.19017	0.1
166.12144	0.1
187.46765	0.1
194.08002	0.2
194.11763	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	193.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53148	1.2
51.76160	1.2
52.46922	1.3
55.05515	7.2
57.07071	2.7
66.78833	1.5
67.05511	56.2
69.07076	14.0
79.05502	6.9
81.07059	100.0
81.19701	1.5
83.04985	1.7
83.08637	2.4
91.05492	1.5
93.07030	6.0
95.08608	93.5
97.06514	1.6
97.10170	2.4
99.17998	1.4
105.07036	15.7
107.08597	5.4
109.06531	1.8
109.10155	48.1
115.05476	1.9
119.08595	7.3
121.10131	2.6
123.11700	17.3
128.96407	3.7
133.06508	10.8
133.10146	7.4
135.11687	1.7
137.09593	2.1
137.13246	8.7
146.97430	14.3
147.11671	2.4
149.02313	9.1
149.13260	3.2
151.14825	2.3
161.05952	12.2
169.99046	7.3
175.14870	17.6
193.04974	10.7
193.08492	1.9
193.12172	1.8
193.15849	24.0
193.17532	1.4
193.17845	1.6
193.19553	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	193.159
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.57285	1.1
51.83302	1.0
55.05518	12.1
55.53043	1.2
56.41806	1.2
57.07083	1.6
67.05513	10.1
69.03434	10.3
69.07067	12.2
71.04981	2.3
77.86277	1.5
79.05485	8.2
81.03426	2.8
81.07060	19.8
83.04985	23.2
83.08624	10.2
85.06550	2.4
91.05477	11.8
93.07068	12.9
95.04958	6.2
95.08607	42.3
97.06581	2.5
99.08091	1.7
103.05423	2.7
105.07037	62.3
107.08601	37.0
109.06525	15.1
109.10155	66.0
111.08080	7.8
112.96615	1.4
115.05417	8.6
118.04152	2.8
119.08580	60.8
121.06500	1.5
121.10157	29.5
123.08072	30.8
123.11710	10.3
125.09759	1.8
128.96274	1.4
129.07036	2.5
131.08534	1.7
133.06499	55.8
133.09140	1.7
133.10130	41.4
135.11696	75.6
137.06055	1.7
137.09622	28.7
138.10378	3.4
140.28383	1.6
143.04897	1.9
143.05934	1.8
146.97478	2.6
147.08012	2.5
147.11722	15.1
149.05933	1.7
149.13293	19.3
151.11209	14.6
151.14793	10.1
161.05972	56.8
165.05475	5.4
165.12767	1.8
165.16364	3.1
175.07523	22.5
175.11168	2.9
175.14821	51.9
189.62868	1.3
193.04921	2.6
193.08585	82.7
193.12224	6.8
193.15862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05506	11.0
67.05489	4.2
69.03432	2.1
69.07057	9.1
72.72285	2.1
74.15781	2.1
79.05484	4.9
81.07057	14.7
83.04971	13.7
83.08585	4.3
84.32323	2.4
85.06522	3.3
91.05464	4.0
93.07040	13.5
95.04939	2.4
95.08601	34.5
97.10165	2.5
103.05447	2.7
105.07030	68.9
107.08605	28.2
109.06515	9.1
109.10155	54.4
111.08089	3.6
115.05445	8.5
118.04129	3.6
119.08575	41.4
121.10138	23.4
123.08052	19.3
123.11677	8.8
131.08522	2.3
133.06490	90.3
133.10123	36.1
135.11702	52.2
137.09621	22.2
137.69174	2.1
138.10413	3.7
143.06065	9.1
146.97417	9.1
147.08112	2.6
147.11688	9.4
149.13261	13.3
151.11160	10.5
151.14821	4.1
161.05968	86.4
165.09135	2.4
165.16382	3.9
169.99103	3.6
175.14851	45.2
176.11905	2.6
185.78992	2.4
193.04977	4.5
193.08585	73.0
193.10245	3.2
193.15866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1591
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05508	14.0
57.07075	3.4
67.05495	11.0
69.03424	9.7
69.07067	10.7
71.04994	3.2
72.90775	1.9
79.05476	12.1
81.07076	24.8
83.04993	25.6
83.08615	11.7
85.06555	2.0
87.84968	2.2
91.05465	4.7
93.07040	17.5
95.04955	3.2
95.08620	43.4
97.06528	3.0
103.05433	3.4
105.07038	83.8
107.08622	34.4
109.06525	20.4
109.10165	78.2
111.08073	7.5
115.05444	9.1
118.04149	4.0
119.08593	44.8
121.10162	23.5
123.08064	33.3
123.11698	8.7
128.96397	3.3
133.06506	85.2
133.10136	65.5
135.08078	3.8
135.10712	4.0
135.11699	82.7
137.09627	30.8
138.10390	9.1
143.06039	9.3
146.97417	11.2
147.11685	13.9
149.13277	18.5
151.11186	13.3
151.14848	12.4
161.05984	87.5
161.07339	3.0
165.09079	4.3
165.16409	4.9
169.99008	10.3
175.14847	49.2
178.06262	2.6
189.80919	2.0
193.05014	9.7
193.08606	67.4
193.12289	4.4
193.14192	4.3
193.15889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05297	0.8
55.05520	11.4
57.03425	1.1
57.07075	2.6
59.04972	1.0
63.01070	0.9
67.05501	10.2
69.03431	8.6
69.07087	9.6
71.04981	2.4
79.05498	5.4
81.06666	1.3
81.07071	20.8
83.04990	18.0
83.08632	8.9
84.11298	1.0
84.15121	1.0
85.06528	2.1
91.05470	6.8
93.07044	10.7
95.04916	1.2
95.08611	43.2
97.06515	2.1
97.10193	2.0
103.05437	1.1
105.07048	34.1
107.08604	23.8
109.06523	13.5
109.10165	48.8
111.08098	8.9
115.05439	1.2
117.18707	0.9
118.04190	1.9
119.08588	37.4
121.10146	18.8
123.08067	19.6
123.11690	5.9
125.09627	1.6
129.07092	1.0
131.08556	1.1
133.06514	26.6
133.10138	31.4
135.11708	49.7
137.09637	23.9
138.10390	4.1
141.19092	1.0
146.97487	2.1
147.11690	14.9
149.13277	21.5
151.11227	9.6
151.14769	9.8
161.04733	1.6
161.05984	32.4
161.78220	1.0
165.00046	5.7
165.16391	2.3
169.99046	1.6
175.03899	6.3
175.11331	3.7
175.14827	49.2
187.80505	0.9
192.99550	5.3
193.04868	8.3
193.08580	18.8
193.10107	2.0
193.12283	4.8
193.15887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1592
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
54.77309	1.7
55.05513	5.3
57.01440	2.0
58.34956	1.9
59.04996	2.2
65.83043	2.0
67.05492	7.5
69.03436	4.2
69.07083	18.3
79.05495	5.5
81.07085	16.2
83.04986	16.1
83.08622	5.5
91.05499	3.5
92.18495	2.5
93.07032	8.2
95.04993	2.8
95.08613	28.9
97.06541	3.2
105.07034	57.0
107.08599	30.6
109.06517	10.8
109.10162	60.2
111.08091	4.8
115.05453	8.8
119.08588	46.4
121.10169	25.5
123.08095	23.9
123.11715	13.9
128.96397	4.0
133.06509	47.3
133.10133	41.7
135.11699	56.2
137.09647	26.6
138.10460	3.7
146.97462	3.3
147.11690	12.3
149.13281	15.6
151.11198	13.2
151.14836	8.9
161.05975	46.9
165.16437	3.3
169.99013	3.5
170.93690	2.3
175.14816	42.6
193.04936	17.3
193.08621	33.2
193.15897	100.0
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	Pseudoionone
Peak:m/z	Relative Intensity
50.56123	2.5
55.01874	2.9
55.05516	12.8
55.40197	1.8
57.07080	3.5
67.00972	2.5
67.05492	10.6
69.03423	9.0
69.07073	13.7
70.95441	2.1
71.04988	5.4
79.05469	4.4
80.22871	2.4
81.03417	4.7
81.07081	17.1
83.04987	20.9
83.08617	10.6
91.05472	9.2
93.07044	19.9
95.04990	5.6
95.08611	32.9
103.05505	5.1
105.07040	88.5
107.08601	24.8
109.06533	18.5
109.10166	63.5
111.08074	5.3
115.05473	10.0
118.04166	9.3
119.08581	41.1
121.10163	17.8
122.07314	3.2
123.08072	28.2
123.11726	10.0
128.96379	5.4
131.04979	2.9
133.06499	84.0
133.10130	44.9
135.08084	3.4
135.11688	58.8
137.06046	2.8
137.09636	31.2
138.10408	10.4
143.06000	5.0
146.97443	12.2
147.11671	16.5
149.06013	2.8
149.13254	13.4
150.06757	11.0
150.51437	2.2
151.11191	15.5
151.14845	11.6
161.04715	4.7
161.05972	64.7
161.07199	4.1
165.09102	14.4
165.16431	3.0
169.99059	5.2
175.14836	37.3
178.06270	3.0
193.04944	5.5
193.08609	73.9
193.10289	3.4
193.12216	5.2
193.15887	100.0
202.55411	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	193.1227
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.80668	0.3
55.01885	0.6
55.05524	1.9
61.48318	0.4
67.05505	0.7
69.03414	0.4
79.05502	2.5
81.03442	0.8
81.07047	1.0
82.05505	0.4
90.91496	0.4
91.05490	9.4
92.07689	0.4
93.07081	3.2
95.04958	2.1
95.08612	1.0
103.05464	2.0
104.06248	0.6
105.07044	49.1
107.08598	2.8
109.06503	0.5
109.10175	0.6
115.05484	5.2
117.07021	2.7
118.04192	1.1
119.08592	100.0
120.09428	0.8
121.06494	0.9
121.10123	2.2
123.08105	0.4
131.04938	0.5
131.08548	0.6
132.05673	1.9
132.09387	0.8
133.06506	39.2
133.10168	3.8
135.08052	0.7
137.06053	0.7
137.09636	2.2
143.06056	1.8
145.10149	2.0
146.97462	0.9
147.08063	1.8
147.11700	58.5
149.05989	3.0
149.09619	0.9
150.06796	0.6
157.10205	0.8
160.05237	1.8
161.05989	38.7
165.05441	0.6
165.12764	0.5
169.99089	0.7
175.07553	0.5
175.11182	13.6
175.14842	0.5
178.00842	1.9
178.06247	1.9
193.03142	2.8
193.04941	2.5
193.08618	72.3
193.12231	10.4
193.15880	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
55.05499	3.0
63.15247	1.8
67.05500	15.2
69.07062	3.1
71.04985	4.9
73.32334	1.7
79.05495	35.8
81.07070	16.5
91.05479	51.1
93.07047	66.1
95.04959	9.3
95.08633	2.0
103.05486	2.7
105.07038	89.5
107.04976	3.4
109.06547	3.0
115.05448	11.0
117.25463	2.2
119.08583	16.5
123.39256	1.9
128.96384	11.5
129.06976	14.2
131.08525	15.2
133.06487	81.0
133.10129	75.9
142.07826	2.2
143.06035	4.5
146.97456	25.3
147.08005	4.8
147.11679	12.9
155.73549	2.1
157.10150	19.3
161.05974	100.0
165.05464	2.2
169.99074	18.0
175.11148	21.2
193.04977	9.0
193.08592	27.3
193.12227	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	193.1227
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.45551	1.7
53.03944	2.0
55.01868	1.9
55.05511	7.8
55.81763	1.3
57.03437	1.7
59.05024	1.4
60.55578	1.4
61.79485	1.5
67.05521	14.5
68.11382	1.7
69.07073	1.8
79.05491	15.9
81.03428	100.0
81.07069	10.5
83.04968	3.9
83.08617	10.2
91.05498	20.1
93.07059	12.6
95.04970	39.4
95.08597	6.9
103.05436	1.7
105.07040	32.6
107.04949	11.2
107.08586	9.4
109.06532	1.9
115.05436	7.1
119.08578	17.9
121.06537	1.9
121.10145	3.3
123.56567	1.6
128.96378	9.3
128.98570	2.1
129.00552	1.9
129.07005	9.6
131.08557	7.0
133.06511	31.2
133.10126	14.4
135.11697	9.5
137.05975	2.0
146.97440	21.2
147.08049	2.5
147.11674	13.6
149.09621	1.9
151.98039	2.0
157.10114	9.3
161.05991	35.6
165.05475	2.4
165.12814	2.1
169.99026	13.5
175.11197	11.1
175.14868	2.6
193.04976	16.2
193.08514	15.3
193.10309	2.4
193.12218	19.6
193.15964	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	193.1226
Annotation	Cuminyl acetate
Peak:m/z	Relative Intensity
53.35935	1.1
55.05497	1.8
55.86426	1.2
63.65843	1.3
67.05499	2.8
69.07078	2.1
71.05019	1.4
75.51906	1.3
77.82468	1.3
79.05487	2.8
81.03412	8.4
81.07056	6.3
89.93729	1.4
91.05470	6.0
93.07056	11.9
95.04971	2.5
95.08584	2.6
105.07039	12.1
109.06590	2.0
119.08576	6.3
123.04402	7.7
128.96390	8.9
133.06493	5.3
133.10091	13.1
146.97443	19.1
147.11684	8.9
147.43022	1.4
157.10097	3.1
161.05945	6.0
169.99081	13.5
175.14819	2.2
193.04974	5.7
193.08588	2.2
193.12247	100.0
193.15910	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	193.1227
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.78529	0.7
55.01875	4.5
55.05513	6.7
57.03443	1.9
57.07077	1.0
63.44136	0.8
67.05515	24.6
69.03439	2.1
69.07076	7.0
71.01363	0.9
71.04985	7.4
79.05073	1.3
79.05506	33.2
81.03432	78.2
81.06612	1.1
81.07066	26.1
83.04984	7.2
83.08630	11.6
85.06512	1.3
91.05486	50.3
92.18396	1.2
93.07050	42.4
95.04974	40.4
95.08605	9.9
97.06529	7.7
99.04395	1.4
103.05466	2.2
105.07042	51.2
107.04971	10.0
107.08586	5.0
109.06532	9.5
109.10140	5.8
110.97568	1.0
111.04461	1.2
111.08067	4.2
113.05986	2.2
115.05441	5.6
117.06995	2.2
119.04884	1.9
119.08584	26.6
121.10142	7.5
123.08039	1.4
123.11670	1.8
127.07468	1.0
128.96370	2.1
128.98595	0.9
129.07016	16.1
131.07600	1.2
131.08589	28.7
133.06506	27.5
133.10143	100.0
135.11726	2.1
137.09657	1.2
142.07791	5.5
146.97459	7.0
147.08095	10.0
147.11696	43.2
149.09637	33.0
151.11186	1.4
157.10126	31.0
161.04732	1.3
161.05986	24.1
165.09126	3.6
165.12683	1.9
169.99025	3.8
175.11183	48.8
175.14809	4.8
178.02527	1.1
193.03305	2.1
193.04938	5.3
193.08606	18.6
193.12253	59.8
193.15860	5.8
193.19475	0.9
195.49928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.54499	0.5
55.01865	1.2
65.85448	0.7
68.91138	0.6
71.04977	0.9
74.88748	0.6
77.47199	0.6
79.05504	5.5
80.60997	0.6
81.07063	0.9
91.05475	5.1
93.07037	5.2
95.04935	1.2
103.05456	4.8
105.07035	54.6
107.04967	0.8
109.06499	0.6
109.10104	0.9
115.05460	8.3
118.04163	3.0
119.04896	0.9
119.08575	2.8
121.06563	0.9
122.07320	0.7
127.94637	0.5
131.04921	0.9
131.07088	0.6
132.05676	1.2
133.06499	60.4
133.10126	13.0
135.08012	0.7
135.11584	0.7
137.05965	2.7
139.18236	0.6
139.84460	0.6
143.05998	4.8
146.97446	0.8
147.08060	0.7
147.11671	7.9
148.05141	0.6
149.02390	0.7
149.05962	0.9
150.06761	3.8
160.05232	2.3
161.05975	53.6
165.09082	7.3
175.11154	1.2
175.14838	0.8
178.06227	3.5
193.04903	2.8
193.08603	100.0
193.12285	3.0
193.15863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01882	3.0
56.87356	0.2
56.96561	0.2
77.03899	0.3
79.05501	3.6
89.03899	0.3
90.04713	0.3
91.05469	2.8
93.07069	0.3
95.04975	1.1
97.02861	0.3
103.05473	4.7
105.07038	73.0
107.04941	0.4
109.06518	0.3
115.05457	10.4
118.04173	3.1
119.04935	1.4
119.08601	0.3
131.04948	2.3
132.05748	0.5
133.06497	77.4
133.10130	1.2
135.08058	2.6
137.05988	1.0
143.04933	1.9
143.06061	7.4
147.04405	1.4
147.08067	0.3
147.11650	0.4
148.07506	0.3
149.05991	0.4
150.03148	4.2
160.05234	0.3
160.78741	0.2
161.05978	100.0
165.05464	1.1
168.66568	0.2
175.03909	1.2
175.14775	0.4
178.01031	0.5
178.02605	11.0
178.06123	0.3
193.03357	0.7
193.04968	15.3
193.08585	12.8
193.10034	0.5
193.12076	0.3
198.99797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.56014	0.8
53.94564	0.7
54.49773	0.9
55.01884	1.4
60.98931	0.8
61.08507	0.9
61.52946	1.0
62.61480	0.8
67.05510	4.5
71.05013	0.9
74.27412	0.8
79.05500	4.8
81.03421	1.4
81.07059	5.6
91.05488	4.2
93.07033	4.0
95.04968	2.0
95.08591	5.3
103.05470	5.2
105.07041	72.6
107.08666	2.7
109.10152	4.5
111.08092	1.2
115.05437	8.9
118.04183	2.1
119.08623	6.8
121.10127	1.3
123.11730	0.9
128.96407	2.0
128.98572	1.0
131.04950	1.5
133.06500	81.0
133.10114	8.7
135.11732	1.6
137.09595	0.9
143.04985	1.7
143.06047	7.0
146.97449	15.3
146.99318	1.1
147.11678	3.6
149.13298	1.6
151.98000	1.2
161.05981	100.0
169.99028	9.7
175.14798	12.8
178.02452	1.1
193.04872	8.5
193.08583	35.3
193.10260	1.5
193.12268	1.3
193.15906	12.7
206.14957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01880	0.8
57.07080	1.1
61.39875	0.6
64.65408	0.5
72.19574	0.7
79.05495	3.2
85.82771	0.7
91.05482	1.1
99.46992	0.6
103.05466	3.1
105.07041	49.9
111.71754	0.6
115.05460	7.0
118.04141	1.4
128.96404	1.3
131.04945	1.2
132.05734	2.7
133.06505	65.5
137.05980	0.9
143.04979	1.1
143.06055	4.0
146.97441	2.8
150.06711	0.7
157.02979	0.7
160.05249	1.0
161.05978	70.8
169.99043	2.8
178.06239	3.4
193.08611	100.0
193.12291	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	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.23948	0.2
55.01868	1.3
55.62899	0.3
63.14951	0.2
78.04701	0.3
79.05485	2.2
91.05470	0.7
93.06987	0.4
95.05001	0.4
95.08627	0.5
97.54955	0.3
100.13928	0.4
103.05470	3.2
104.06238	1.6
105.07041	45.0
115.05443	7.3
118.04133	2.0
119.08577	0.4
131.04971	1.1
132.05682	2.2
133.06499	55.0
133.10126	1.3
137.06035	0.3
143.04924	1.4
143.06058	4.3
147.11673	0.4
149.05981	1.2
150.06851	0.6
160.05202	1.2
161.05978	51.6
175.14813	1.1
178.02534	0.6
178.06314	3.4
188.75104	0.3
193.05104	2.9
193.08612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.13686	0.4
53.57140	0.4
55.01863	1.2
63.34561	0.5
79.05488	0.9
91.05447	0.8
92.17934	0.6
103.05454	3.2
104.06177	0.6
105.07034	36.9
112.19433	0.6
115.05450	6.8
118.04147	1.2
131.04935	0.6
132.05695	1.1
133.06493	50.9
143.04945	1.1
143.06027	3.7
149.05959	0.9
160.05190	2.3
161.05971	47.8
178.06216	3.0
193.08603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.55613	0.3
55.01871	0.7
59.05006	0.6
64.66881	0.3
73.95905	0.4
79.05502	3.7
90.79182	0.3
91.05486	2.4
91.83106	0.3
95.04963	0.7
103.05467	4.9
104.06231	0.8
105.07036	45.3
107.04951	0.4
109.10117	0.3
115.05470	8.3
118.04179	3.8
119.04981	0.4
119.08572	0.5
121.06508	1.8
131.04921	0.6
132.05699	2.1
133.06496	63.2
134.07233	0.4
135.04430	0.7
135.08009	0.7
137.05971	2.2
137.09657	0.5
143.04962	0.7
143.06015	4.9
146.64902	0.4
146.97469	0.8
147.04311	0.5
149.05975	2.2
150.06758	4.2
160.05196	1.7
161.05971	53.6
165.09105	4.4
165.30872	0.3
175.07516	0.5
175.11090	0.4
175.14870	0.4
178.02589	1.6
178.06250	4.1
193.04988	5.2
193.08606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01875	2.3
59.32266	0.3
79.05489	4.4
89.03903	0.4
90.04714	0.4
91.05463	3.0
93.07005	0.5
95.04945	1.4
103.05473	5.2
104.83512	0.4
105.03471	0.4
105.07033	67.5
107.04975	0.6
115.05448	11.4
118.04144	3.3
119.04900	0.6
121.06498	0.6
123.04394	0.5
123.08012	0.5
131.04926	1.4
132.05685	0.7
133.02914	3.7
133.06493	80.6
134.18254	0.4
137.06000	1.5
143.04893	1.7
143.06039	5.9
146.97452	0.8
147.04384	0.6
147.08003	0.5
147.11653	0.4
148.02495	0.6
149.05989	0.8
150.03091	2.8
150.12685	0.4
161.05969	100.0
165.05452	1.5
165.09123	0.3
169.99020	0.7
173.24001	0.4
175.03918	0.4
175.11050	0.4
178.02603	8.4
193.03278	1.0
193.04955	12.6
193.06842	1.2
193.08568	14.3
193.10280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01864	1.0
76.92727	0.5
79.05487	3.2
90.04682	0.6
91.05465	0.6
95.04935	0.5
103.05492	4.3
104.06247	0.6
105.07034	46.5
115.05465	7.4
118.04154	2.6
122.07201	0.4
124.59946	0.5
126.06749	0.4
131.04936	1.7
131.07320	0.6
132.05719	2.0
133.06496	59.8
135.08070	1.7
137.05956	1.9
143.04964	1.0
143.06053	4.4
149.05983	1.8
150.06769	4.4
160.05191	1.8
161.05975	53.2
165.09084	3.7
178.06184	3.5
193.04945	2.2
193.08609	100.0
208.72533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0499
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.60378	0.6
55.01876	1.5
63.80074	0.6
69.05814	0.8
70.89897	0.8
79.05468	0.9
86.10635	0.7
91.05483	10.0
95.04984	0.9
103.05473	3.3
105.07040	29.9
106.07351	1.4
115.05424	5.1
119.04945	10.6
121.06506	1.1
125.55788	0.8
132.08087	1.5
133.02890	1.5
133.06496	33.9
133.08427	11.0
136.08450	0.9
137.05965	5.5
143.06067	4.6
147.04405	9.4
150.03133	50.0
150.09103	0.8
161.02399	1.2
161.05980	43.2
163.03909	1.1
165.05484	5.8
175.03856	3.6
175.07054	1.0
178.02609	100.0
193.04971	99.9
193.08469	6.9
193.10524	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	193.0498
Annotation	Anemonin
Peak:m/z	Relative Intensity
51.02391	0.2
51.75248	0.1
53.03958	0.2
55.01891	0.9
57.86735	0.1
59.96361	0.1
60.43336	0.1
65.03947	0.2
66.04742	0.2
67.05507	0.3
68.99807	0.2
69.98878	0.1
77.03922	1.0
79.05499	1.7
81.07069	1.3
85.53554	0.1
91.05479	3.0
93.07063	0.3
94.04200	0.3
94.78821	0.1
95.04981	1.7
103.05494	0.7
105.03397	13.2
105.04543	0.8
105.07034	5.3
106.04153	0.1
107.04958	1.5
109.02860	0.3
109.06519	2.6
111.04442	0.2
115.05448	0.8
115.79637	0.2
118.04223	0.1
119.04981	0.3
119.08602	0.2
121.02908	0.2
121.06512	5.7
122.03638	1.9
123.04469	0.3
129.17412	0.1
131.04938	0.2
131.19940	0.1
133.02855	100.0
133.06458	5.3
133.10127	0.6
134.03629	0.7
135.04433	1.1
137.05980	29.1
142.61388	0.1
143.06007	0.3
146.97432	0.3
147.06404	0.3
147.08034	0.2
147.11723	0.3
149.05989	0.3
150.03122	1.5
151.03889	0.6
154.37840	0.1
158.87723	0.1
161.02332	1.1
161.05968	6.5
162.11613	0.1
165.05463	18.4
169.98973	0.3
178.02573	0.7
192.99448	0.1
193.03239	0.6
193.04939	9.9
193.08476	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	193.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69350	0.4
55.01881	0.5
56.05030	0.5
58.45102	0.3
60.04527	0.4
65.03944	0.6
68.99797	0.7
70.06594	6.7
73.02921	0.8
74.30254	0.4
74.85580	0.4
81.03397	0.6
81.04520	0.8
82.01436	0.8
85.02921	0.5
86.09699	0.9
91.05457	1.0
97.02935	0.6
98.97533	0.5
100.02480	2.4
103.02434	0.9
103.05457	1.7
105.07026	7.9
109.02875	1.8
110.97572	0.8
111.00810	0.6
111.04388	0.8
112.08804	0.4
115.05431	0.6
118.01105	0.5
118.03475	0.4
118.04237	0.4
118.08626	0.4
121.02830	6.4
121.03690	0.4
121.04077	0.6
123.04438	7.1
124.07526	0.5
127.52922	0.6
128.51849	0.6
128.96375	1.5
128.98581	0.6
129.01833	4.0
130.48987	0.4
131.04901	0.8
132.05743	0.6
132.95810	2.4
132.96883	0.9
133.01079	4.6
133.06500	7.8
135.03030	0.6
136.06186	2.4
137.05978	0.5
137.52335	0.8
139.00275	1.9
146.97473	2.9
147.01357	22.3
147.04466	1.7
147.07977	0.4
149.06018	0.5
149.07129	1.7
150.01349	11.3
150.96838	1.7
151.02136	0.9
151.03865	0.8
152.02007	0.6
152.05666	11.7
153.04083	0.8
157.01326	0.5
157.58052	0.4
158.52937	0.9
161.00549	20.7
161.01537	1.1
161.05980	8.4
165.01826	9.4
165.04008	0.7
165.05432	7.7
165.06602	0.7
169.98965	0.8
170.02956	3.1
174.99049	0.6
175.04691	0.9
175.11902	1.8
178.00830	43.5
179.01515	0.5
193.01547	9.0
193.03197	100.0
193.04881	4.7
193.09915	3.2
193.13478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1385
Annotation	DEET
Peak:m/z	Relative Intensity
56.96571	0.8
61.78559	0.6
71.98070	0.7
72.04504	3.6
82.36744	0.6
86.23298	0.7
91.05476	3.3
98.13421	0.7
98.47071	1.0
100.07610	6.0
109.06477	2.9
119.04946	100.0
122.06003	1.2
126.58996	0.7
137.02805	1.0
143.66484	0.7
146.09593	1.5
164.10709	1.1
192.06569	1.4
192.10196	1.3
192.13832	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.5
55.19898	1.8
56.05041	2.1
56.96557	2.6
57.03445	16.8
58.06612	2.6
59.04992	3.2
60.05645	3.5
60.08155	1.8
61.02937	17.6
62.06098	19.6
63.06434	7.7
68.05023	2.4
69.03129	1.6
69.03432	21.1
70.06614	23.3
71.01325	2.0
71.04984	7.6
72.34669	1.6
73.02924	79.6
78.29848	1.8
81.03425	7.6
81.04536	7.3
82.99835	3.2
83.99990	1.6
84.04499	11.5
84.08142	3.6
85.02910	47.8
85.04832	9.4
86.06050	11.3
87.01888	2.2
87.04456	16.9
88.03964	2.4
93.01865	7.1
94.02686	3.8
96.02420	10.9
97.02901	27.2
98.06051	2.0
99.01978	2.3
99.04454	2.9
100.02657	10.7
101.00877	10.6
101.06030	2.8
102.02405	18.4
103.03209	2.6
103.03919	2.7
106.02648	3.1
107.03431	2.2
108.02390	8.1
108.05591	9.1
109.02921	8.6
110.07189	2.7
111.02926	17.4
111.98503	3.0
113.00886	3.8
114.02393	11.6
114.05521	10.7
115.02431	2.0
115.03166	9.7
115.03946	6.5
115.05828	2.1
116.07075	7.8
116.08243	3.6
117.02926	9.7
119.01900	26.5
121.03125	2.0
122.02164	2.0
123.02923	18.4
124.03712	2.0
126.03497	2.0
127.03925	7.9
128.07086	13.2
129.02924	8.7
129.07391	11.3
130.03702	2.5
130.05038	2.8
130.08600	7.8
131.01877	22.5
131.02696	2.5
131.05327	2.4
131.97418	4.4
132.03439	14.5
132.06566	8.6
132.95853	9.3
133.05029	2.3
138.03447	20.4
141.03973	2.1
142.03641	1.9
143.01898	95.9
143.02982	4.1
144.03452	10.2
145.03496	13.8
145.04857	2.0
146.01964	6.9
146.02945	63.5
146.06018	82.5
146.08093	15.0
146.09244	7.0
146.11769	7.1
147.03969	2.6
149.98483	2.0
150.07616	4.3
150.96881	10.5
153.04012	18.0
154.06151	2.2
155.01900	48.3
155.97415	13.4
156.06444	6.4
157.03493	8.2
161.00941	2.5
161.02956	60.9
162.04445	4.3
167.01923	16.4
169.03445	9.8
169.04845	2.4
173.02946	42.6
173.98482	3.6
174.07574	5.6
174.08826	10.9
175.04565	3.5
175.07973	14.3
181.03578	3.3
183.04941	2.1
184.58334	1.8
185.02983	36.0
187.04449	2.9
192.03574	3.7
192.05315	8.9
192.06592	20.2
192.08635	37.2
192.09999	13.5
192.12277	12.2
192.15959	100.0
196.04393	2.4
196.88066	1.7
197.02985	6.7
201.06100	2.6
203.03995	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	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.52306	0.4
51.43204	0.4
55.05506	2.4
57.31934	0.4
65.77678	0.5
67.05503	2.0
69.03442	9.7
69.07063	3.0
78.62427	0.5
79.05505	5.0
81.07071	7.2
83.04988	1.3
91.05479	1.1
92.18488	0.6
93.07034	3.6
95.08609	3.0
105.07037	6.8
107.04942	3.0
107.08605	20.8
109.06557	1.0
109.10171	6.3
117.07052	0.9
119.08553	3.5
121.06507	2.5
121.09331	1.0
121.10146	13.0
122.07267	0.8
123.08070	0.9
131.08565	6.3
133.10139	100.0
134.17781	0.5
135.08063	4.8
135.11696	3.1
137.09630	17.5
145.10139	4.7
147.11676	3.3
149.09619	3.3
149.13264	11.4
153.19206	0.5
158.10905	3.6
158.67928	0.6
163.07468	0.6
163.14810	2.6
173.13280	15.7
191.07060	0.8
191.10724	0.9
191.14320	27.1
191.16061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.41106	0.9
53.58365	1.1
55.01865	1.0
56.36300	0.9
58.54785	0.9
60.99263	1.1
63.64285	1.0
64.54583	1.0
65.57487	0.9
67.05506	8.9
67.93555	1.8
69.03434	2.3
69.07048	4.7
71.04704	1.0
71.05003	16.7
75.77173	1.3
79.05480	5.2
80.99672	1.1
81.07051	6.7
83.04966	1.3
83.08612	2.1
83.90017	1.1
84.97478	1.1
85.06548	6.5
91.05481	5.9
93.07076	9.0
95.04958	12.8
95.08605	10.9
97.06496	5.2
103.05478	17.1
105.07035	21.0
107.04957	4.7
107.08605	28.8
108.90458	2.4
109.05830	1.6
109.06529	37.7
109.10165	77.8
111.08039	1.7
117.07021	4.1
118.04148	6.0
119.08595	10.7
121.06512	4.5
121.10152	28.5
123.08064	17.2
130.04124	2.4
131.04907	14.2
131.08566	33.2
133.06454	2.1
133.10147	19.3
135.08064	68.0
135.11758	1.4
140.95204	1.2
145.10126	11.2
147.08066	1.5
147.11665	10.5
148.05176	11.3
149.09625	10.5
149.13283	10.8
150.02654	2.0
150.10420	1.2
158.10899	7.2
163.07556	13.3
173.06017	2.1
173.13258	49.1
176.04665	6.1
176.12012	1.6
181.95757	1.4
191.07002	26.4
191.08525	2.0
191.10654	4.8
191.14307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03977	0.5
55.05529	2.2
56.73614	0.4
57.03440	0.5
57.07084	0.5
59.65952	0.4
67.05520	1.8
69.03436	11.9
69.07078	2.7
77.91172	0.4
79.05499	4.1
81.07065	6.2
83.04999	3.1
91.05492	3.3
93.06538	0.5
93.07030	4.0
95.04948	0.7
95.08611	2.4
97.06550	0.5
103.05494	2.3
105.07051	7.6
107.04934	3.6
107.08604	20.7
109.06533	0.8
109.10172	5.5
117.06965	0.9
119.08586	2.2
121.06492	1.7
121.10144	13.3
122.07299	0.9
123.08066	0.9
123.11548	0.6
131.04933	2.1
131.08578	6.8
133.10136	100.0
135.08064	4.4
135.11716	2.9
137.09627	20.2
141.96873	0.5
143.08560	0.7
145.10129	5.7
147.11697	3.6
148.05241	0.8
149.09615	2.2
149.13255	11.7
150.02721	0.4
158.10916	3.8
163.07529	1.0
163.11131	0.6
163.14842	3.2
173.13264	18.1
176.04680	0.7
182.53624	0.4
191.07024	3.7
191.10681	2.1
191.14310	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.82375	0.8
55.05511	3.8
55.65918	0.9
57.03428	1.3
57.07088	8.6
59.02396	0.9
59.05004	1.5
67.05518	7.7
67.05795	1.0
69.03431	2.3
69.07076	10.6
71.04970	6.3
79.05487	4.7
80.46638	0.9
80.76354	0.9
81.07066	22.1
83.04967	4.2
83.08612	2.3
85.06549	27.0
85.54024	1.0
91.05474	10.1
93.07046	14.8
95.04987	2.4
95.08618	22.1
97.06540	10.3
99.08086	2.4
103.05466	5.4
105.07040	70.3
107.08601	33.3
109.06518	4.4
109.10163	5.3
111.08067	8.6
117.07027	9.1
118.04130	2.2
118.06541	1.4
119.08593	32.3
121.06490	5.0
121.10149	16.6
123.08109	1.6
123.54760	0.9
129.06973	5.4
130.07835	1.2
131.04915	4.4
131.08577	87.2
133.10132	52.8
135.08066	17.0
135.11688	4.3
136.08824	6.9
137.13252	4.6
143.08543	6.4
144.09297	5.7
145.07623	4.1
145.10135	38.8
147.08080	1.6
147.11694	27.6
148.05182	1.6
149.05963	1.1
149.09657	12.2
149.13257	26.6
155.14325	2.7
158.10899	15.5
161.13263	35.1
163.07535	5.2
163.11153	4.7
163.14825	10.6
173.07164	9.7
173.13261	100.0
176.04631	1.7
190.20222	1.0
191.08241	49.9
191.10664	5.2
191.14307	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03955	1.4
55.05532	8.4
55.28674	1.1
57.07074	2.0
67.05486	4.5
69.03443	35.5
69.07066	7.7
77.03925	1.4
79.05074	1.7
79.05505	51.8
81.07064	59.9
83.04996	14.6
84.96449	1.1
85.06519	2.5
86.99448	1.3
90.01837	1.2
91.05485	10.4
93.07051	19.1
95.04957	2.3
95.08599	5.8
103.05472	5.4
105.07040	14.4
107.04964	47.0
107.08604	99.5
109.06490	5.5
109.10152	5.9
110.07319	1.4
115.99647	1.3
117.06966	2.0
119.08589	2.3
121.06536	12.9
121.10147	21.7
122.07299	1.9
123.08052	4.7
129.51555	1.1
131.04926	4.8
131.08577	14.4
133.10138	100.0
135.07310	1.1
135.08093	16.1
135.11688	2.0
136.08888	1.3
137.09624	35.1
145.10130	6.9
147.11684	7.6
148.05231	2.2
148.08873	1.3
149.09636	8.7
149.13246	18.5
158.10898	6.8
161.05901	1.3
163.07504	4.9
163.14827	3.0
173.13275	24.9
176.04663	1.2
191.07018	2.9
191.14310	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1028
Annotation	C20914
Peak:m/z	Relative Intensity
53.98170	0.5
55.19567	0.6
55.78209	0.5
56.05037	0.9
56.96563	4.1
57.03447	1.1
62.06098	100.0
68.05035	1.0
69.03429	0.7
70.06605	0.9
73.02912	0.8
84.04511	82.5
85.02901	3.0
96.47518	0.6
97.02919	0.9
98.97594	4.2
100.02492	1.0
100.99179	0.7
101.00802	0.6
102.05529	3.5
110.01254	0.7
110.97565	2.5
111.05579	1.3
116.98629	1.4
119.01798	1.4
127.02410	0.8
127.08689	6.6
128.02330	0.7
128.07083	60.8
128.98560	1.0
130.05016	23.8
130.08638	0.6
145.01657	17.7
145.03491	3.9
145.09717	0.8
146.99725	0.8
147.03053	0.8
156.06590	3.9
158.99660	1.4
161.02885	0.7
168.05045	1.0
173.09218	12.2
174.07620	60.0
177.00757	0.7
190.98671	0.9
191.02158	2.5
191.10202	14.6
191.13889	0.7
208.99669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0704
Annotation	Oospolactone
Peak:m/z	Relative Intensity
50.94604	0.2
53.48119	0.2
65.03947	0.3
67.30931	0.3
69.03438	0.3
69.07083	0.4
73.79198	0.3
73.79639	0.2
75.34942	0.3
83.05007	0.5
90.94843	0.5
91.05476	2.7
92.18353	0.4
93.07011	0.3
98.94474	0.3
103.05434	0.4
105.07049	0.6
107.04978	0.4
107.08607	0.5
117.07018	0.3
117.90742	0.2
119.04938	8.3
119.08577	0.3
121.10136	0.4
123.08080	0.4
131.04948	1.4
131.08534	0.6
133.10101	2.0
134.55431	0.3
135.08064	0.3
138.63704	0.3
145.06459	0.5
145.10123	1.1
147.04411	76.9
148.05173	0.3
149.96063	0.4
153.38150	0.3
158.91379	0.3
163.07533	0.5
173.13223	0.5
176.04720	0.5
187.94510	0.3
191.07022	100.0
191.14302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0704
Annotation	Oospolactone
Peak:m/z	Relative Intensity
61.06522	0.3
66.73366	0.3
72.08182	0.5
78.06890	0.8
78.57079	0.8
79.64849	0.4
83.27437	0.4
84.05619	0.5
91.05470	1.9
119.04952	8.0
126.83099	0.4
138.10324	0.4
147.04417	78.2
149.61938	0.8
191.07037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0704
Annotation	Oospolactone
Peak:m/z	Relative Intensity
55.05506	0.9
56.96546	0.8
62.06083	0.9
63.56766	0.8
67.05486	1.1
69.03415	0.7
70.06572	3.7
71.06897	1.1
72.08131	0.8
79.05474	0.9
81.07040	1.5
82.43317	0.8
83.04962	1.3
90.94816	1.6
91.05463	4.9
93.07042	1.2
95.04972	0.9
95.08614	1.7
96.06906	1.1
103.05489	6.1
103.06049	0.8
105.07018	6.3
107.04951	1.7
107.08577	4.4
108.06840	3.1
108.74139	0.8
109.10142	1.5
110.80092	0.8
112.78220	0.7
117.07001	3.0
118.04166	3.6
119.04938	7.4
119.08584	3.1
120.08086	0.8
121.06496	1.1
121.08401	1.0
121.10131	3.5
123.08049	0.9
124.08648	1.0
130.04160	1.5
131.04935	6.4
131.07339	8.8
131.08534	8.1
133.02820	0.7
133.10158	6.0
135.08032	3.5
136.00998	8.7
144.98051	0.8
145.01509	17.6
145.06480	1.3
145.10120	5.0
146.06799	1.5
147.04411	68.9
147.11667	1.7
147.51752	3.4
148.05170	3.6
149.01234	1.0
149.09563	3.1
149.96095	2.9
154.02008	1.2
156.52356	7.2
158.10956	1.1
159.04379	1.4
159.08093	0.9
163.07587	5.4
163.11142	0.8
167.97166	1.5
173.05956	1.1
173.09637	1.0
173.13225	6.3
176.04634	6.9
191.07014	100.0
191.10706	6.1
191.12619	5.7
191.14288	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	191.0703
Annotation	Oospolactone
Peak:m/z	Relative Intensity
61.07072	0.7
63.84812	0.7
71.36426	0.9
79.05508	0.9
88.09328	0.9
90.04703	1.4
91.05468	4.2
92.41238	0.8
95.04923	1.4
95.08597	1.3
103.05477	79.6
105.03402	1.9
105.07045	9.8
107.04928	4.9
115.05427	4.2
117.07005	4.8
118.04155	23.5
119.04927	4.4
120.05760	3.4
130.04134	6.0
131.04933	89.8
131.08563	3.9
132.05688	3.6
133.02847	6.5
133.06523	7.2
133.10107	1.8
135.08069	8.4
145.06465	3.5
145.10080	3.5
146.03592	4.8
147.04362	1.1
147.11606	1.0
148.05196	49.4
148.57930	0.9
159.04387	1.8
161.05931	2.1
162.06725	1.1
163.07538	100.0
173.05959	9.4
173.13246	1.7
176.04706	13.0
190.87204	1.0
191.06996	89.7
191.14305	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	191.0706
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
51.70619	0.6
52.41710	0.7
67.43349	0.6
69.03381	1.0
70.07404	0.8
77.03898	0.9
79.05487	1.5
90.04684	1.6
90.94809	1.1
91.05479	1.3
95.04961	1.0
98.06075	0.7
102.04700	8.3
103.05474	64.2
104.05811	6.7
105.07021	7.1
105.62722	0.8
107.04939	3.2
108.05270	3.9
110.10469	1.1
115.05423	4.7
117.07024	7.5
118.04162	67.4
119.04935	1.4
120.05674	1.3
128.07040	1.0
130.04150	40.4
131.04930	72.0
132.05244	5.2
133.02834	1.7
133.06483	1.0
135.08000	1.1
136.08469	0.7
145.01637	7.9
145.06476	5.2
146.03619	11.4
147.04424	9.3
148.05186	21.5
149.96092	1.8
158.03589	3.9
161.05936	1.7
163.07506	1.7
173.05969	16.5
176.04689	100.0
179.06935	1.0
188.96490	0.8
191.07022	95.9
191.14365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.6
58.06617	2.4
59.34461	0.2
60.04498	0.3
69.07066	1.5
70.06595	100.0
71.05006	3.8
71.06116	11.2
72.08142	0.3
74.25328	0.2
78.54649	0.3
80.57036	0.2
84.08138	3.3
85.06546	15.4
86.09687	2.3
86.52239	0.3
87.10066	1.1
88.07626	1.5
88.08752	1.6
95.06052	0.3
102.09190	6.1
105.03697	0.4
121.94719	0.3
123.08674	0.3
126.12804	4.0
128.07092	0.4
130.08611	0.4
134.06024	0.5
140.10753	0.4
140.11835	13.0
144.10202	6.0
144.13841	15.3
148.09703	2.1
150.03099	1.2
157.79074	0.3
158.12883	47.5
172.09695	0.3
172.14441	21.3
190.04980	16.1
190.08485	0.6
190.09821	0.5
190.12379	0.6
190.15594	14.1
196.48358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24416	0.6
55.01880	0.6
55.05507	3.2
56.05033	1.1
56.10472	0.7
57.03427	0.8
58.06597	1.6
67.05516	17.7
69.03446	1.3
69.07076	41.0
70.06609	8.3
71.04984	0.8
74.06071	0.8
79.05492	1.4
81.07062	5.5
83.08612	1.2
84.08142	1.6
85.02908	1.7
85.91894	0.7
86.09692	3.1
87.10043	5.1
93.07028	3.8
94.06553	1.1
95.08613	30.7
98.09659	1.5
99.04424	1.3
107.05035	0.9
109.10165	100.0
111.11729	17.1
112.07584	1.2
113.05970	1.0
119.08565	6.6
126.12792	3.6
132.10187	1.0
133.10538	3.3
136.11211	4.1
137.09628	32.0
154.12274	50.4
155.10680	11.0
172.13326	71.7
173.11751	1.0
190.04959	0.9
190.14392	38.2
204.53482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05506	5.2
56.05038	1.0
57.03455	1.7
58.06591	4.1
60.04537	8.1
60.08175	6.7
66.64342	0.8
67.05512	20.1
69.03436	2.0
69.07078	49.6
70.06604	8.9
71.04990	5.7
71.08620	5.1
74.06090	1.1
79.05493	4.0
79.83614	0.8
81.07052	4.7
83.08627	0.9
84.04476	3.3
84.08138	4.2
84.81233	0.8
85.02911	5.6
86.09708	18.5
87.09499	1.0
87.10039	22.9
91.05515	1.4
92.49829	0.9
93.07062	7.8
95.04958	1.7
95.08613	47.2
97.06522	1.3
98.06052	0.8
98.09693	4.1
99.04456	1.6
99.08087	1.4
100.11250	4.4
101.06017	1.2
102.05515	1.8
103.05463	3.4
104.10751	7.4
107.04970	1.5
108.08141	0.9
109.10166	100.0
109.85376	0.9
111.08044	1.5
111.11720	21.2
112.07610	1.0
113.06004	1.6
116.04330	1.1
116.75572	1.0
119.08602	11.6
120.06631	0.9
126.12778	4.0
130.12270	6.8
131.04942	2.0
131.10670	0.9
132.10216	4.7
133.10577	15.0
136.11235	9.0
137.09633	50.3
144.08087	3.6
144.10207	11.3
144.12129	8.7
154.12276	55.4
155.10666	18.4
161.96733	4.6
172.13330	88.3
173.11809	1.1
189.97406	0.9
190.04965	4.1
190.08664	1.5
190.10794	1.0
190.14394	46.7
190.17993	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	190.1262
Annotation	EPTC
Peak:m/z	Relative Intensity
50.93874	0.3
55.79867	0.3
57.06836	0.6
57.07087	12.8
57.35511	0.4
58.05552	0.4
58.09028	0.4
59.80974	0.3
59.99104	1.6
61.84000	0.4
73.08650	0.3
78.00160	17.2
78.62778	0.4
86.09721	8.5
88.02209	0.5
134.06360	36.0
137.57541	0.4
148.07907	3.6
149.02335	5.7
172.11523	0.4
176.19226	0.5
180.20839	0.5
190.12610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1228
Annotation	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide
Peak:m/z	Relative Intensity
50.92776	0.6
53.10782	0.5
53.43900	0.6
55.05516	0.9
62.53350	0.6
69.07093	0.7
72.08153	1.1
83.84029	0.6
117.07021	14.9
131.08554	0.7
144.08118	5.4
145.06503	22.2
146.09619	0.8
147.06845	0.8
147.08049	0.8
147.10437	1.0
148.07544	3.6
148.11203	1.1
149.02354	2.7
160.07539	3.6
161.08340	1.0
162.09132	3.9
162.12761	12.4
174.09001	1.9
175.09926	20.3
188.10674	0.8
190.12259	100.0
190.77443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23077	0.3
57.38712	0.4
72.08131	0.5
72.11565	0.5
76.74712	0.4
79.61151	0.5
88.32031	0.5
93.07053	0.6
102.75547	0.4
105.51664	0.4
117.07023	14.5
121.10132	0.8
132.08070	1.2
144.07961	0.6
145.06490	23.9
146.07254	0.5
147.06877	0.7
147.10423	1.0
148.07512	4.2
149.02328	2.6
149.05986	0.7
149.09515	0.6
159.08081	0.5
160.07591	3.6
161.08392	0.8
162.09093	4.2
162.12762	10.2
174.09076	2.1
175.09924	20.4
185.75230	0.5
190.12268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1076
Annotation	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
Peak:m/z	Relative Intensity
51.59259	0.3
55.05508	2.9
56.05044	1.8
65.64903	0.4
67.05492	0.4
70.06591	0.5
74.06038	0.4
79.86713	0.4
81.07065	17.7
82.06593	6.6
83.08628	24.5
84.08092	0.4
87.04478	0.5
98.09701	31.0
99.08146	0.4
108.08128	3.9
109.06529	2.5
109.72870	0.4
116.85911	0.4
126.09157	100.0
127.07536	3.2
131.07069	0.5
142.08640	0.5
144.03297	0.6
144.10207	88.5
154.08640	2.0
172.09692	29.4
186.76718	0.4
190.10718	10.0
190.12135	0.5
202.50722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.9
55.17627	0.7
60.05623	1.0
63.43311	0.8
70.06602	0.9
72.08161	11.0
78.06897	37.5
79.05463	0.9
83.08614	1.6
84.05633	9.9
87.07403	1.0
97.10188	1.8
111.40146	1.0
114.10326	1.1
117.07012	14.4
121.10185	1.1
125.09624	4.7
126.11543	4.7
131.12921	0.9
132.08127	1.1
138.10274	7.5
140.11255	1.3
140.96674	0.8
145.05367	1.4
145.06491	24.8
147.06801	1.2
147.10419	2.1
148.07576	5.1
149.09735	1.4
149.11797	43.5
149.12991	1.6
155.12932	3.8
155.73233	1.0
160.07559	4.1
162.09142	5.6
162.12782	10.2
174.09175	3.2
175.09909	24.4
190.12273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0502
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
55.78037	0.2
56.29525	0.1
59.30231	0.1
60.08181	0.1
62.48744	0.1
63.15676	0.1
76.05063	0.1
89.03919	0.3
116.04970	0.8
118.06599	0.2
126.09216	0.2
139.82175	0.1
140.93816	0.1
141.74458	0.1
144.04417	0.6
144.08105	0.2
144.10201	0.2
146.05998	0.3
148.06612	0.9
149.02335	0.3
162.05499	100.0
190.04993	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0499
Annotation	1-Nitronaphthalene-5,6-oxide
Peak:m/z	Relative Intensity
58.06614	0.3
62.80865	0.3
63.09040	0.3
64.67774	0.3
70.06297	0.3
70.06594	5.1
71.06092	0.3
72.08150	0.5
81.07062	0.5
83.08584	0.6
84.08121	1.3
85.06544	0.7
86.71877	0.3
87.04455	0.4
98.06032	0.7
98.09682	1.4
99.29410	0.3
100.14789	0.3
100.33753	0.3
112.07581	0.4
120.04443	1.7
125.31915	0.3
126.05432	0.5
126.09148	4.9
130.04973	0.6
130.08659	0.6
133.02805	0.4
133.88788	0.3
134.05986	0.7
134.47328	0.3
144.03307	1.0
144.04448	1.6
144.10190	6.8
144.13844	0.5
150.03127	7.7
154.08611	0.5
158.12920	1.5
161.02292	2.6
162.03143	0.6
162.05531	1.1
163.03888	2.5
172.03905	0.6
172.09679	2.2
172.14444	0.4
190.04977	100.0
190.14322	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.164
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.10631	1.4
59.33527	1.9
60.84190	1.7
61.45498	1.6
61.88571	1.5
67.05503	3.3
67.65344	1.5
69.07063	2.7
79.05492	8.3
81.07066	14.8
83.00866	1.6
85.59090	1.8
91.05502	16.6
93.07040	11.1
95.08614	22.1
105.07039	18.0
106.90475	2.6
107.08610	21.6
109.10149	7.4
119.08577	29.1
121.10120	14.3
133.09247	2.6
133.10152	39.5
133.95425	1.9
147.11703	21.4
161.13240	8.5
189.12726	3.7
189.16389	100.0
189.18091	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	189.1599
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
50.74534	0.7
60.07880	1.2
60.08170	35.2
67.05499	1.4
70.06602	7.8
72.02630	0.8
74.07190	4.9
84.08148	100.0
85.06524	0.9
90.96090	0.9
116.07101	6.7
130.08640	74.4
144.11305	1.6
144.13849	3.0
152.27419	0.8
154.21877	0.7
189.13567	6.0
189.15976	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
56.05040	0.5
56.95666	0.3
56.96565	0.4
57.04564	4.6
60.05652	2.1
60.08176	29.8
67.05530	1.3
70.06600	56.7
72.08164	10.7
74.07211	29.3
74.07638	0.6
84.08152	100.0
85.06519	0.4
86.06068	0.4
86.09712	0.5
88.07626	0.6
90.31435	0.4
97.07698	0.5
98.06046	0.6
98.97607	0.4
100.07626	22.1
103.02476	1.7
110.97536	0.5
112.08744	2.8
114.10336	0.5
115.08683	7.5
116.07098	38.7
116.98616	0.3
118.06152	0.5
119.01892	0.7
124.07397	0.5
126.09187	1.9
126.10291	1.6
128.98627	0.6
129.10242	1.4
130.05026	0.7
130.08649	73.7
131.58554	1.8
133.09750	3.8
135.69853	0.4
144.11327	17.8
144.13780	3.6
158.09265	8.5
165.06148	0.5
171.11064	0.4
171.12479	0.6
172.09599	0.7
172.10835	9.0
176.97820	0.4
189.04459	0.6
189.06108	0.5
189.13519	44.6
189.16045	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06281	0.5
54.90230	0.6
65.28091	0.6
69.03418	3.9
75.34322	0.8
91.05473	0.9
105.07042	6.7
107.08562	2.5
117.06999	1.5
119.08573	9.3
128.06215	1.1
129.06982	3.8
130.07779	1.5
131.08546	3.0
133.06511	1.5
133.10118	3.9
141.06949	1.4
143.08565	4.0
145.10120	15.0
146.10925	1.1
147.08104	6.0
147.11687	11.2
156.09344	34.7
157.06569	0.8
159.08047	2.6
159.11696	12.0
160.08839	0.7
161.05965	1.2
161.09627	3.1
161.13213	1.5
171.11688	61.7
174.06796	1.3
174.10402	6.5
189.09203	7.4
189.12741	100.0
193.20595	0.7
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
51.30206	3.0
65.85246	3.5
69.03400	4.3
106.90503	91.0
133.06531	6.2
133.93213	3.7
147.08073	100.0
147.93127	38.2
148.03967	5.2
148.08679	8.2
157.07623	14.9
189.12759	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03399	4.1
95.72020	3.1
103.45240	2.8
106.70316	3.2
106.90508	53.1
106.96571	5.4
119.08617	3.1
143.08505	4.1
147.08054	84.5
147.93053	22.4
153.47148	3.0
157.07607	13.6
158.05641	3.2
161.42175	3.1
165.94191	4.4
171.11613	5.0
189.09076	5.5
189.12729	100.0
189.14386	4.8
195.05164	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1236
Annotation	19461-38-2
Peak:m/z	Relative Intensity
55.01888	0.7
69.07048	0.2
70.06596	0.3
72.08180	0.2
75.05618	0.6
80.45763	0.1
81.07043	0.2
81.53799	0.2
86.09714	100.0
87.04476	0.2
89.07963	0.1
92.17834	0.2
97.02895	0.2
115.00614	0.6
115.03946	4.0
120.08078	0.2
125.02394	0.3
132.10213	52.3
141.18048	0.2
143.00082	5.2
143.03412	0.2
143.11809	28.0
171.02878	0.3
171.11276	0.4
184.83601	0.2
189.09099	0.2
189.12389	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	189.1237
Annotation	19461-38-2
Peak:m/z	Relative Intensity
53.44898	0.1
55.01883	4.2
55.05526	0.2
57.03448	0.2
57.07093	0.2
58.06621	0.1
67.05515	0.4
69.03441	0.7
69.07069	0.2
71.05016	0.2
72.08160	0.3
74.35668	0.2
75.05605	0.7
79.05526	0.3
85.02921	0.3
85.06556	0.3
86.09715	100.0
87.00820	0.2
87.04462	1.1
97.02911	2.1
97.04005	0.2
99.04475	0.2
100.07620	0.2
101.06017	0.2
104.28438	0.2
114.05540	0.7
115.00645	0.8
115.03935	17.2
125.02348	2.5
125.65409	0.2
129.05495	0.3
130.05013	0.3
130.08672	0.7
132.10213	51.8
138.53668	0.2
143.00085	6.5
143.03403	0.8
143.11809	28.8
153.01901	0.2
153.11107	0.2
157.06075	1.4
161.04471	0.2
171.02982	1.8
171.11292	0.3
175.46515	0.2
189.00607	0.3
189.04086	0.3
189.06732	1.2
189.09006	0.3
189.12280	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	189.0914
Annotation	Bullatenone
Peak:m/z	Relative Intensity
60.68963	0.4
69.03429	0.6
70.06597	0.9
79.05486	1.0
81.07090	0.6
85.02898	1.6
91.05474	1.9
95.04967	0.4
103.05464	2.1
105.07045	7.5
108.12419	0.4
112.07603	0.8
115.05475	1.7
119.08604	4.1
128.06242	4.5
129.07002	24.8
131.04907	1.0
131.08582	4.3
133.06476	4.2
133.10156	3.3
143.04889	0.6
143.08543	2.1
145.06511	1.5
145.10139	1.6
146.03627	0.5
146.07283	2.5
147.08066	3.1
147.11667	2.1
156.09296	1.1
157.06500	18.7
158.07260	5.1
159.04430	2.7
159.08076	0.6
161.05983	2.9
161.09624	6.0
161.13243	2.8
171.07982	0.7
171.11612	3.5
171.15718	0.7
174.06770	36.5
174.10381	1.9
189.05508	14.0
189.09111	100.0
189.12688	15.3
189.16420	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	189.0911
Annotation	Fomannoxin
Peak:m/z	Relative Intensity
51.11995	0.7
53.48405	0.7
55.01872	1.6
57.03425	1.6
67.05511	18.7
69.03404	1.5
77.12045	0.7
78.90800	0.7
79.05067	0.8
79.05483	5.2
82.32007	0.7
83.04964	3.4
86.72050	0.8
87.00846	0.9
91.05487	16.6
95.04976	14.7
102.65781	0.8
103.05448	0.8
105.03404	26.6
105.07036	11.5
106.90478	3.9
106.96555	1.0
107.04964	100.0
115.05486	3.2
117.07006	11.1
119.04931	4.0
119.08585	6.0
121.02869	9.5
123.04450	1.6
128.06242	6.8
129.06996	4.1
131.04825	0.8
131.70410	0.9
133.06502	9.5
133.10136	13.1
143.08554	18.1
145.06488	24.8
145.10153	3.0
147.04404	3.2
147.08044	11.5
147.11656	1.5
147.93130	1.0
153.06952	3.4
157.09375	0.9
158.20204	0.9
161.08257	1.1
161.09604	38.3
171.08043	34.4
189.09106	68.1
189.12671	9.3
189.16374	3.8
191.08685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	3.5
58.06331	0.3
58.06608	8.5
64.67325	0.2
71.08633	3.0
72.08157	2.6
74.06067	0.8
76.07649	8.2
105.07029	0.3
112.58533	0.2
118.06541	0.2
119.31526	0.2
123.84492	0.2
144.08069	1.1
146.06000	0.9
147.04375	0.4
160.07594	0.2
160.09721	0.2
170.09682	1.0
170.19040	3.0
171.61478	0.2
188.06958	0.4
188.20096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	3.1
58.06613	9.5
58.30935	0.2
61.26157	0.2
61.39659	0.2
61.49839	0.2
66.32260	0.2
71.08649	2.3
72.08166	2.6
76.07652	8.3
87.04417	0.3
91.05456	0.3
92.45525	0.2
101.04069	0.2
103.05460	1.0
105.07055	0.3
108.16801	0.2
118.06562	0.4
119.28954	0.3
121.32664	0.3
124.07586	0.3
128.07094	1.5
131.80595	0.2
142.08554	0.3
144.08047	0.3
144.17477	0.4
145.83533	0.2
146.06003	1.0
146.08076	0.3
146.10477	0.3
147.04430	7.9
153.85239	0.2
160.07574	0.3
170.06012	0.4
170.19032	3.3
188.07124	1.1
188.09212	1.3
188.20111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32575	0.3
51.22717	0.3
56.05044	0.3
59.22229	0.3
71.30093	0.3
83.87112	0.4
112.78759	0.4
113.06866	0.3
118.06532	2.7
128.07085	2.0
131.07303	1.7
142.06490	0.6
143.07314	1.8
144.08090	100.0
145.08926	3.0
146.06001	8.5
146.08138	0.4
147.04422	0.8
158.09619	3.0
159.09953	1.7
160.07617	0.5
160.09726	0.5
170.06017	7.3
170.09644	84.2
171.10402	10.3
172.09862	0.7
173.10449	3.1
187.12265	6.3
188.07057	6.9
188.09213	1.4
188.12982	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	188.092
Annotation	6-Acetamido-2-oxohexanoate
Peak:m/z	Relative Intensity
55.01894	0.1
55.05521	0.2
56.05045	0.1
56.96576	0.5
58.06612	1.3
60.04531	0.1
65.03983	0.1
67.05514	1.1
68.05047	0.3
69.07087	0.2
70.06598	100.0
70.95869	0.4
70.98104	0.1
71.04989	0.1
72.04507	0.1
72.08160	4.7
72.93784	0.1
82.06588	0.3
84.04525	0.5
84.08145	1.4
85.01381	0.1
85.02897	0.1
85.06562	0.4
85.08480	0.1
86.06065	0.7
86.09702	0.8
88.99201	0.1
89.10780	0.1
90.94834	0.1
94.06565	0.1
95.04969	1.0
96.08109	0.1
98.06061	0.2
98.97584	0.4
99.02702	0.2
99.05534	0.1
100.02515	0.1
100.03998	0.2
100.07624	3.6
103.02455	0.6
104.10752	0.3
105.11087	0.5
107.07359	0.1
107.47693	0.1
110.06020	0.1
110.09679	0.1
110.97559	0.2
111.98462	0.8
112.07610	2.6
112.11230	0.6
113.03504	0.1
114.05535	0.7
114.09172	2.5
116.07095	0.4
116.88090	0.1
116.96399	0.1
116.98642	0.1
117.07407	0.4
117.10250	0.9
120.08132	0.1
121.01637	0.1
124.07617	0.3
124.11292	0.1
126.09154	1.3
127.07576	0.8
128.07077	1.4
128.10747	0.2
128.98604	0.2
129.05504	0.4
129.10225	0.1
129.13876	0.1
129.99522	0.2
130.08653	0.8
130.66722	0.1
131.11781	0.4
132.95834	1.7
137.55177	0.4
139.04561	0.3
139.41998	0.1
140.05295	1.2
142.03506	0.4
142.08606	0.7
142.12292	0.3
142.13332	0.1
143.11798	0.8
144.10204	0.9
146.55716	3.1
146.99675	0.4
147.05092	0.7
150.96886	1.5
152.05298	0.4
152.08209	0.1
155.56200	0.4
155.97423	1.2
156.10217	0.1
159.11241	0.1
160.04532	0.2
160.14432	0.3
164.98613	0.6
165.00702	0.1
165.06226	0.2
170.06354	8.8
170.07895	0.3
170.09302	0.8
170.11694	1.2
170.12929	0.1
170.16541	0.1
171.10999	0.1
171.12183	0.4
171.14915	3.4
173.98418	0.6
179.60904	0.1
183.06157	0.1
188.09174	34.5
188.12671	3.7
188.14186	0.7
188.17513	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	188.0709
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.78105	0.3
63.16343	0.3
89.30804	0.3
91.05489	0.9
115.05426	0.6
117.05822	0.4
117.07018	1.6
118.06548	32.2
132.08145	0.5
142.06552	3.3
143.07336	3.5
144.04498	0.6
144.08099	21.2
146.06018	100.0
149.03853	0.4
160.07542	0.6
170.06015	7.9
188.07074	26.8
199.79225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
59.39810	0.5
87.04458	0.7
102.05505	0.6
115.05444	6.4
116.10324	0.5
117.07015	0.8
118.06546	28.6
128.07074	0.8
130.04086	0.5
136.46815	0.5
142.06538	17.0
143.07307	5.6
144.08090	21.5
146.06010	99.5
147.04396	1.2
160.07541	0.9
160.09676	0.9
163.08630	0.5
164.90344	0.6
170.06004	100.0
171.06293	1.0
187.46359	0.6
188.07057	79.7
188.08978	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	188.0708
Annotation	3-amino-2-naphthoic acid
Peak:m/z	Relative Intensity
65.36137	0.4
66.97279	0.4
75.09035	0.4
87.04502	1.0
91.05484	0.9
96.14528	0.4
99.30086	0.4
102.05578	0.7
104.38770	0.4
105.07031	0.6
117.07002	2.3
118.06549	32.0
128.07091	1.9
132.08101	0.9
142.06534	2.5
142.08771	0.4
143.07297	4.3
144.08095	20.5
146.06018	100.0
147.04437	2.3
160.07506	1.0
160.09781	0.4
163.17906	0.5
170.06049	9.4
186.33206	0.4
188.07059	28.1
188.08888	0.9
188.10574	0.6
188.14993	0.5
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	Unknow
Peak:m/z	Relative Intensity
50.75559	0.6
51.58171	0.7
62.47705	0.8
69.07056	1.6
73.43074	0.7
74.06091	1.0
87.04447	1.6
91.05453	1.1
92.17807	1.4
100.07587	0.8
111.63171	0.9
115.05459	5.3
117.07039	0.9
118.06546	32.2
127.62325	0.8
128.07037	4.6
142.06505	15.4
142.08592	1.1
143.07289	4.6
144.08098	22.6
146.06015	96.0
146.08060	3.6
147.04413	3.7
160.07515	1.6
160.09645	3.2
170.06001	100.0
170.15404	3.9
171.06351	1.4
188.07047	77.2
188.09052	3.5
188.16492	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	187.1555
Annotation	Propanoylagmatine
Peak:m/z	Relative Intensity
51.48305	0.2
53.08297	0.2
55.05517	0.9
57.03451	1.0
60.05656	1.6
71.53548	0.2
72.08160	11.6
73.04034	0.4
74.06075	1.2
81.04547	1.4
86.05573	0.6
86.06074	10.0
97.07654	1.6
98.06040	0.6
114.09086	0.4
114.10287	11.4
115.08693	10.3
123.08630	0.5
127.12318	31.5
127.95674	0.3
128.10716	100.0
130.68082	0.3
131.12929	1.1
145.13359	5.3
145.96652	0.5
146.03241	0.5
163.03868	0.3
163.97719	0.3
170.12878	45.8
177.66064	0.2
187.15538	65.5
188.55649	0.3
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
55.01871	0.7
55.05510	2.8
57.07077	2.7
60.05653	0.6
64.28695	0.6
67.05495	2.7
69.03427	4.3
69.07054	3.2
70.06573	3.4
71.04996	3.1
72.08147	4.4
76.58681	0.5
79.05489	3.0
81.03422	5.2
81.07060	7.1
83.04984	1.2
85.02901	1.1
85.06539	4.2
85.94601	0.8
86.09682	0.9
91.05482	4.4
93.07053	13.0
95.04955	1.1
95.08616	7.3
97.02937	1.0
97.06499	0.9
99.04446	1.4
105.07028	8.3
107.08595	14.3
108.90919	0.7
109.02860	1.4
109.10152	3.1
111.08070	3.2
113.05994	0.7
117.05772	2.6
117.07001	5.6
118.03739	1.4
119.08604	6.4
123.08068	0.9
123.11655	0.9
127.03909	1.5
128.07063	5.7
129.07028	1.4
130.07805	1.5
131.08571	23.4
133.10115	4.3
143.08540	3.6
144.05716	1.5
144.09373	1.4
145.10132	67.6
145.96678	3.2
146.03172	7.0
146.06024	1.4
151.11162	1.1
157.10123	6.4
157.59663	2.8
158.06007	0.9
158.10902	5.3
159.04381	0.8
159.06375	1.0
159.08026	4.3
159.11691	28.2
163.97708	4.4
169.10109	0.7
169.12172	0.8
171.01761	0.6
172.05177	1.1
172.08768	0.8
172.12456	17.1
186.09163	0.9
187.03906	3.6
187.05864	3.7
187.07303	8.0
187.11134	5.7
187.12215	4.9
187.14827	100.0
201.10265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65630	0.2
56.96574	0.3
57.00891	0.3
58.06598	0.6
65.93930	0.3
67.05488	0.3
67.44286	0.2
69.03425	0.7
70.06574	1.5
72.08169	2.1
74.09722	11.6
81.03413	1.0
84.08153	0.4
85.02877	0.4
85.94613	0.3
86.06076	2.2
86.09693	0.6
87.04471	7.3
97.04846	0.4
98.06062	9.4
100.07598	0.5
101.07175	0.3
101.10786	17.4
102.68264	0.3
103.43462	0.3
112.84462	0.3
114.09135	0.3
128.10718	1.3
139.05826	0.7
139.40324	0.3
141.10240	5.3
145.96667	2.5
163.97696	2.7
169.13362	10.9
170.12904	0.4
187.10924	6.2
187.14410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.4
56.64142	0.3
56.69675	0.2
57.04539	0.3
58.06600	0.2
60.04510	1.4
60.05647	0.3
63.02084	0.3
66.43523	0.3
67.05484	0.3
68.11224	0.3
69.03416	1.3
69.07060	0.4
70.06596	5.4
72.04494	1.3
72.07811	0.5
72.08160	8.8
73.07653	0.4
74.09721	13.1
77.55341	0.3
81.03414	0.4
82.06569	0.5
83.04990	3.3
84.04498	1.3
84.08145	2.8
86.06081	3.1
86.09692	2.1
87.00812	0.5
87.04472	7.6
87.05590	0.6
93.85590	0.3
96.08081	0.4
97.02898	0.3
98.05470	0.4
98.06060	9.2
99.04385	0.4
100.07606	0.7
101.00881	0.5
101.10785	18.2
101.11445	0.7
105.01856	0.4
112.99967	0.4
113.10797	3.2
114.08388	0.5
114.09171	14.0
115.08701	0.4
116.07085	3.9
119.01930	2.9
123.04402	0.3
127.03889	0.5
127.05811	0.4
127.08646	0.8
128.07059	0.5
129.10223	2.3
131.11789	3.3
137.67009	0.3
141.10153	1.3
141.40768	0.3
142.08615	1.8
144.95831	0.4
145.03462	0.4
145.13303	0.5
145.96614	2.0
146.03586	0.3
151.03967	0.3
155.11804	2.3
156.11317	2.3
159.11270	2.1
163.97672	2.6
168.95795	0.3
169.09630	0.6
169.13348	11.9
170.12833	1.8
170.15338	0.3
187.10999	3.7
187.14378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34349	0.2
53.88786	0.2
54.02591	0.2
56.05024	0.3
58.06600	0.4
58.17566	0.3
66.39532	0.2
66.45588	0.2
69.07077	0.5
70.06599	1.9
72.08159	2.4
74.06062	0.4
74.09309	0.4
74.09726	11.2
77.64332	0.2
81.03438	0.3
84.08163	1.7
86.06069	1.9
86.09715	3.8
87.04000	0.4
87.04479	7.7
96.04488	0.3
98.06070	8.4
100.07633	0.6
101.07118	0.5
101.10785	17.7
111.04441	0.3
116.07102	0.3
129.10211	0.4
130.08629	1.0
135.38492	0.3
141.10240	5.2
142.12207	0.4
144.08081	0.6
145.96660	1.4
147.11281	1.1
163.97746	1.1
169.13361	11.8
187.10889	7.7
187.14420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.108
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
55.05523	1.2
55.93558	0.2
55.94931	0.3
56.96578	0.3
58.06612	5.6
58.85202	0.2
62.34032	0.2
64.07481	0.2
67.72943	0.2
69.03440	0.6
70.06598	22.7
71.04967	0.2
72.08164	6.0
72.93825	0.5
74.09739	0.3
81.03427	0.4
82.06592	1.2
83.04983	0.6
84.04094	0.3
84.04510	2.4
84.08147	9.0
84.08652	0.4
85.02905	0.4
85.94659	0.4
86.06078	1.1
86.09712	1.2
87.04486	0.7
90.94831	0.6
95.04935	0.3
98.06068	0.4
100.07622	0.6
101.00889	1.3
101.10799	0.5
102.05608	0.3
103.00690	0.3
103.02451	0.5
104.10751	6.5
105.97099	0.3
112.07607	1.4
113.96417	0.6
114.09177	1.5
116.07097	100.0
119.01932	2.5
121.01640	1.0
123.09196	0.4
124.07577	1.3
126.09168	0.3
127.08662	1.3
127.12322	4.6
128.07077	4.9
128.10680	1.0
130.04990	0.3
130.08647	2.9
131.01877	1.7
131.96072	0.4
132.95845	1.0
133.03479	1.0
140.03983	0.3
141.10214	3.4
142.08655	6.5
144.06563	0.4
144.95818	3.4
145.03499	2.1
145.96696	2.6
147.03253	0.4
155.01891	0.6
155.04448	0.4
155.11809	0.5
157.03502	0.6
159.03194	0.4
159.11253	0.4
162.96901	1.3
163.97745	2.7
168.95848	0.4
169.01802	0.4
169.03461	2.2
169.09645	2.0
169.13365	2.6
170.08112	4.3
170.10316	0.6
170.11758	16.2
175.11893	1.5
181.98729	0.4
186.96841	0.4
187.00491	0.6
187.02838	0.9
187.04506	3.2
187.10745	16.7
187.12347	0.6
187.14397	19.3
187.18007	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	187.0603
Annotation	Antibiotic C 2554A-II
Peak:m/z	Relative Intensity
51.08244	0.2
52.50853	0.2
68.99787	3.4
69.03436	1.3
71.01352	1.1
81.03435	2.9
85.02911	0.5
85.94636	0.3
91.05441	0.3
93.07024	0.4
99.04443	0.5
105.07048	0.4
109.02879	9.7
111.04475	0.3
112.01584	4.9
117.07014	0.3
126.03134	1.8
127.03917	73.8
131.04959	0.2
131.08562	1.4
141.05469	25.5
143.03419	0.3
144.05730	0.5
144.08087	0.3
145.10139	2.8
145.96678	1.0
146.09676	0.4
151.07454	0.2
155.03394	100.0
158.09686	1.0
159.08037	1.4
159.11676	0.6
163.97713	1.3
169.04948	4.7
172.05074	0.3
172.09961	0.4
172.12411	0.4
182.03188	0.2
186.99348	0.3
187.03911	0.4
187.05981	4.5
187.07521	4.3
187.09036	2.4
187.12486	2.1
187.14832	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	186.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16940	0.5
54.14573	0.6
54.57068	0.6
55.12597	0.7
57.07060	1.1
58.06595	0.8
61.49724	0.8
66.16551	0.6
71.08631	1.1
74.09726	10.0
86.83421	0.8
89.94436	0.7
95.12443	0.6
95.55495	0.7
98.06033	1.0
112.07566	0.9
113.55273	0.7
116.24353	0.8
121.00760	0.8
130.06509	1.3
137.98410	0.9
139.01840	1.4
140.07068	3.3
144.06538	1.1
144.08022	0.8
145.02826	1.0
163.01738	7.0
171.09102	1.6
181.02827	6.2
185.10712	1.0
186.07642	2.7
186.09138	31.7
186.11424	6.3
186.22168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	1.2
63.57084	0.2
65.53958	0.2
66.40981	0.2
71.08621	1.5
72.08133	0.3
74.09721	8.1
75.18500	0.2
78.32463	0.2
84.51480	0.2
92.17790	0.3
107.32380	0.2
108.11639	0.2
163.01788	0.5
185.10753	0.3
186.11557	2.5
186.22173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90011	0.1
57.07087	1.3
58.06592	0.3
63.47692	0.2
71.08627	1.9
72.08155	0.8
74.09720	10.1
88.04748	0.2
109.42072	0.2
186.22171	100.0
189.57741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30716	0.5
55.05518	0.8
56.00909	0.5
70.06581	1.0
71.08636	10.6
71.92380	0.5
73.61813	0.6
74.46868	0.5
81.07072	9.2
83.08616	1.0
88.11273	13.1
98.09695	5.2
99.08112	5.0
112.11263	15.3
116.10734	27.0
130.12288	9.7
168.17488	7.1
186.07451	1.1
186.09146	44.3
186.18535	100.0
208.80566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99949	0.4
53.88174	0.5
57.07064	1.9
58.52619	0.4
71.08619	2.8
72.04533	1.4
81.07045	0.5
97.54352	0.4
98.06044	0.5
102.09178	1.8
102.96851	0.5
112.07603	1.0
116.10733	3.3
120.96572	0.7
121.96695	1.1
126.05499	0.9
140.07056	3.7
163.01816	2.3
181.02791	0.7
186.07584	0.9
186.09131	0.7
186.18535	100.0
208.08585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81223	1.6
56.19977	1.6
59.06311	1.5
66.84077	1.8
67.28975	2.0
67.75865	1.6
70.81183	1.6
73.09131	1.8
80.19591	2.1
84.04490	2.1
86.97895	2.0
88.07648	3.2
97.28616	2.1
130.06532	8.3
138.05484	2.7
143.07263	3.4
144.08090	18.6
150.87589	1.8
156.06931	2.8
156.08104	6.5
163.01843	12.9
171.09163	39.8
181.02850	7.6
185.10785	15.7
186.07823	3.5
186.09149	63.5
186.11525	100.0
186.13126	4.1
186.18660	2.3
186.22151	11.0
196.18875	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	186.1127
Annotation	N-Isovaleryl-L-homoserine lactone
Peak:m/z	Relative Intensity
52.83218	0.3
55.05521	0.6
55.52390	0.4
57.07084	7.2
67.05492	0.6
68.84678	0.4
69.03426	0.8
70.06604	5.2
72.08157	1.0
74.09733	3.1
74.26336	0.4
84.04510	6.2
85.02422	0.6
85.02911	12.2
86.24519	0.4
98.06036	0.5
102.05552	7.9
107.08578	0.5
112.03960	0.8
112.07553	0.4
117.03368	2.0
121.00785	2.6
121.01592	0.5
126.05506	2.0
129.10301	0.6
130.05011	78.5
135.04344	0.6
139.01836	2.1
140.07045	0.9
140.10634	0.6
145.02873	3.2
153.05765	0.4
158.06009	1.0
158.09692	0.6
158.11757	2.2
163.01816	16.8
163.03888	0.9
168.06589	0.7
168.10181	0.7
168.13792	0.6
169.01593	0.6
181.02875	12.8
186.05621	3.4
186.09286	4.6
186.11261	100.0
186.14847	2.5
186.18576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1128
Annotation	N-Isovaleryl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.55923	0.3
55.05515	0.3
56.96576	0.5
57.07084	7.1
59.90141	0.3
60.05663	0.3
60.97832	0.4
67.82065	0.3
69.03426	0.4
69.07079	1.9
70.06609	2.3
72.04504	0.4
72.08154	1.6
74.09718	2.0
83.05004	0.5
84.04523	5.6
85.02911	8.5
86.09723	0.7
87.04481	0.4
87.10019	0.7
97.02929	0.5
98.06084	0.7
98.09731	0.8
100.03976	1.4
101.02384	0.4
102.05555	8.5
109.23225	0.3
112.03970	1.6
121.00792	1.8
121.01588	0.5
123.08015	0.4
126.05525	1.9
126.09154	0.4
127.08669	0.7
130.05008	77.5
132.20416	0.4
138.05505	1.8
139.01877	0.9
140.07036	0.6
140.10719	0.6
141.02824	0.5
144.06575	0.7
144.95844	0.5
145.02884	1.5
158.11749	2.8
163.01813	10.1
166.58385	0.4
168.06487	0.5
168.10184	2.7
169.13371	2.7
173.96745	0.4
181.02872	6.1
186.07678	2.1
186.11258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0915
Annotation	3-Amino-4-hydroxybiphenyl
Peak:m/z	Relative Intensity
60.48885	0.2
68.31192	0.3
70.74237	0.2
73.08492	0.3
85.02892	0.4
89.03928	0.3
98.05973	0.2
117.03419	0.8
121.00799	1.6
123.11696	1.5
126.05488	0.9
130.05017	0.4
139.01862	1.1
140.07019	1.2
140.14331	0.2
142.51903	0.2
144.06570	0.3
144.95831	0.3
145.00792	0.3
145.02875	2.5
158.06013	0.3
163.01819	9.2
168.07994	0.9
168.13791	0.4
170.05893	0.5
170.09651	0.4
171.11281	1.1
181.02887	6.2
185.08322	0.4
186.09148	100.0
186.13599	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	186.0916
Annotation	N-Hydroxy-4-aminobiphenyl
Peak:m/z	Relative Intensity
53.65588	0.6
55.61651	0.5
57.66629	0.6
63.02370	0.6
72.08118	0.8
77.45413	0.7
89.03916	5.1
89.52993	0.7
90.28711	0.7
91.58516	0.7
104.19407	0.6
111.67164	0.7
117.02613	1.1
117.03381	20.5
120.68253	0.6
121.00754	1.0
126.05497	1.1
127.07536	0.9
130.06488	0.9
139.01869	0.9
140.07077	1.6
145.02853	48.0
156.33809	0.7
158.05992	8.2
163.01819	10.8
163.64584	0.7
181.02892	4.7
186.05591	13.5
186.09138	100.0
186.18512	1.0
208.45140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0916
Annotation	3-Amino-4-hydroxybiphenyl
Peak:m/z	Relative Intensity
66.00739	0.2
68.34209	0.1
105.45887	0.2
140.07080	0.2
163.01801	0.7
168.08076	0.7
171.06728	0.2
181.02892	0.3
186.09154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0915
Annotation	3-Amino-4-hydroxybiphenyl
Peak:m/z	Relative Intensity
76.77385	0.2
78.47783	0.2
93.61095	0.2
158.09630	0.3
168.08051	0.9
169.08798	0.2
170.06018	0.2
176.83810	0.2
186.09146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10766	0.5
120.16257	0.5
148.09570	0.5
164.36398	0.5
168.08110	0.8
186.09149	100.0
194.96173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0916
Annotation	3-Amino-4-hydroxybiphenyl
Peak:m/z	Relative Intensity
50.03322	0.1
51.26211	0.1
51.93616	0.1
55.77856	0.1
59.56738	0.2
92.17859	0.2
92.34485	0.1
106.45595	0.1
121.00790	0.2
127.46619	0.1
140.07025	0.3
144.08121	0.3
145.08797	0.2
163.01813	1.2
168.08093	0.4
169.08836	0.2
171.06775	0.2
171.09192	0.9
181.02827	0.7
183.99336	0.2
184.07600	0.3
185.08357	0.2
185.10735	0.7
186.09140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16520	0.2
63.77330	0.2
65.47568	0.2
67.38921	0.2
71.71273	0.2
75.03288	0.2
109.91004	0.2
168.08078	0.3
170.06010	0.2
186.09146	100.0
187.35339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53835	0.2
57.82170	0.2
62.39303	0.1
62.59044	0.2
71.27463	0.2
81.80070	0.2
82.64344	0.2
96.29272	0.2
140.10764	0.2
159.41995	0.2
163.01720	0.3
168.08075	0.4
184.07655	0.3
185.08336	0.2
186.09142	100.0
203.97562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
117.11854	0.6
153.04646	0.6
163.01848	1.1
181.02882	0.9
186.09145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81355	0.2
56.68654	0.2
62.76616	0.2
63.02365	0.4
89.03920	10.3
103.05484	0.5
117.03382	45.2
128.09711	0.4
130.06519	3.1
135.04445	2.2
145.02852	100.0
153.11436	0.3
158.06015	20.1
163.01807	1.0
170.09686	0.9
186.05516	24.3
186.09128	18.9
186.12764	0.5
190.44138	0.2
208.67253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69178	0.2
51.12872	0.2
59.64241	0.2
63.02364	0.5
82.89425	0.3
89.03915	9.7
99.69400	0.3
117.03372	41.3
121.00800	0.4
130.06523	3.3
130.07417	0.4
135.04404	1.9
140.07051	0.4
145.02843	100.0
147.14478	0.3
158.06000	19.5
163.01805	1.7
167.49768	0.3
181.02864	0.5
186.05492	23.1
191.80014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1328
Annotation	Chamazulene
Peak:m/z	Relative Intensity
53.03959	0.4
53.19260	0.4
55.05523	6.1
69.03432	0.7
69.07056	0.7
71.05004	2.9
74.34069	0.5
79.05499	11.8
81.07068	0.9
85.08333	0.5
86.09711	0.9
89.96053	0.5
91.05503	0.7
91.45081	0.5
93.07063	3.4
95.04951	1.1
102.96883	2.3
105.07027	9.2
107.08618	2.7
109.50427	0.6
111.08075	1.0
118.18558	0.5
119.08593	5.9
120.02022	0.9
120.97932	0.8
121.00777	2.2
121.06490	1.0
121.10156	1.0
125.09655	0.7
128.06213	8.0
129.07013	14.9
131.08574	3.0
139.01826	2.2
139.11232	0.9
141.06996	3.8
142.07788	17.4
143.08568	100.0
144.02267	0.7
144.09354	1.0
145.06546	0.6
155.08546	6.4
156.09341	18.3
157.10127	90.4
159.18073	0.6
167.10640	0.8
170.10905	29.2
185.09683	2.8
185.13258	98.5
198.44563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32018	1.2
55.05493	1.6
57.96227	1.3
58.06610	2.4
59.07349	1.4
60.08162	9.2
62.45549	1.7
69.03425	1.6
69.07068	1.7
71.04984	1.8
72.08131	2.0
79.05491	1.7
81.07047	2.9
83.04980	2.5
87.04492	1.9
93.07033	3.2
95.04979	1.9
95.08607	2.1
95.90340	1.4
97.06512	2.6
98.97552	2.1
99.01418	7.4
102.96890	14.2
106.06582	2.2
107.04950	8.2
107.08618	2.7
111.04453	2.7
111.08043	1.8
120.97907	10.5
121.00765	7.7
121.06522	2.7
121.10114	2.9
125.05993	3.0
125.09607	7.0
126.02485	51.4
131.41312	1.6
131.87486	1.6
138.98949	6.0
139.01808	9.3
139.07541	6.3
139.08633	3.7
139.11177	3.1
143.03503	1.7
144.02281	2.5
144.03250	3.5
149.07098	11.8
157.06665	3.4
157.10060	2.9
161.98376	1.7
162.03392	6.0
167.06958	2.6
167.08157	66.9
167.10501	2.1
170.07417	3.1
185.04482	4.6
185.05939	3.2
185.09799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.081
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03959	0.2
65.03947	4.3
67.05493	0.4
68.99781	0.4
79.05479	0.5
80.28731	0.2
82.04205	0.3
93.03409	7.3
94.04196	0.5
95.04987	2.5
97.06528	1.4
97.07085	0.2
107.04939	0.4
110.03663	12.1
111.04436	6.4
121.02839	0.5
123.04408	0.4
125.05989	66.7
133.24725	0.2
135.05537	3.4
153.05467	100.0
170.05313	1.7
170.10806	0.3
177.24414	0.2
184.16949	0.3
185.08078	11.9
185.09744	0.5
185.13298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1698
Annotation	Kinabalurine F
Peak:m/z	Relative Intensity
56.05029	1.7
56.12338	0.6
57.07067	2.9
60.95599	0.7
60.95860	13.0
62.50911	0.5
68.05015	1.0
70.06589	3.5
71.02196	0.6
72.04500	1.6
73.31065	0.6
81.32291	0.7
83.65351	0.6
86.09689	4.3
95.08605	0.9
98.09705	0.7
98.57760	0.7
100.11243	1.3
101.95044	6.1
101.98469	1.5
110.09695	6.1
112.11235	21.2
115.96426	1.2
118.96752	5.2
119.01871	0.7
119.96050	1.0
119.96918	3.6
124.11175	0.8
125.00012	1.4
128.10703	11.5
139.03036	1.2
142.98538	1.1
143.03409	3.5
145.66982	0.6
162.47952	0.7
166.15913	2.6
184.07384	4.3
184.09833	4.3
184.16966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69317	10.7
57.29023	12.0
58.06857	10.8
119.01910	54.4
120.02016	51.3
121.01641	43.6
139.10570	22.3
141.89215	14.9
144.03233	100.0
162.04239	18.1
185.03125	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	184.1335
Annotation	Acetyltropine
Peak:m/z	Relative Intensity
55.05510	0.5
61.22341	0.5
63.90739	0.4
68.05012	0.5
69.06755	0.6
69.07076	14.1
70.06599	78.8
73.06546	3.2
75.10397	0.5
78.43281	0.5
79.69760	0.5
84.08150	0.8
85.33028	0.6
86.09697	1.2
87.65199	0.5
91.07673	0.6
92.45016	0.5
97.06544	1.2
101.00863	1.0
113.09753	0.5
119.01943	2.6
124.11231	2.4
125.00011	0.9
128.24051	0.4
134.06058	1.0
142.08640	6.1
142.12289	1.2
145.54175	0.5
152.07091	4.9
160.25851	0.5
161.02840	0.8
161.04735	0.6
184.07341	2.9
184.13335	100.0
201.27011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0971
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
55.01870	1.2
56.56706	0.6
57.07076	1.8
60.08155	1.1
61.84012	0.7
67.05505	6.9
69.07068	1.4
70.06580	1.6
73.02903	1.1
81.07092	0.8
85.06549	1.2
85.25621	0.8
86.09710	13.6
95.04974	20.8
96.08150	6.1
101.00858	1.8
112.07590	1.1
113.06026	6.8
119.01920	9.3
120.08092	1.6
124.07594	100.0
124.99986	6.2
132.52513	0.8
137.02937	1.1
138.05502	2.0
138.09109	3.9
139.03104	3.9
142.03548	1.5
142.08664	11.3
143.03500	7.2
161.02939	3.1
166.08597	14.3
166.09755	1.1
184.05977	1.6
184.07370	12.8
184.09694	75.8
184.13101	6.4
184.16975	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03492	0.5
56.96573	1.1
57.03452	0.3
58.06603	6.2
60.08171	18.5
64.32642	0.3
67.21494	0.2
69.03450	0.4
71.07394	2.7
73.02920	1.1
80.94979	1.5
82.99847	0.4
85.02914	0.5
86.09708	65.3
93.60390	0.3
95.06081	3.5
97.02921	0.4
98.98489	3.4
100.02509	0.5
101.00887	12.8
102.00971	1.8
102.05538	0.3
103.02377	0.7
104.10752	4.2
113.96454	0.3
115.02441	1.2
117.03971	1.5
119.01920	44.6
119.75137	0.3
120.02010	5.1
120.02932	0.4
120.03086	0.3
121.97571	2.8
124.02463	1.5
124.93901	0.5
125.00001	48.1
125.02563	1.6
125.03475	4.2
128.73351	0.3
131.01927	0.4
133.03458	0.4
135.05052	0.5
137.02963	8.0
137.03951	0.4
138.03047	0.5
138.10269	17.5
139.03165	0.5
140.05574	0.5
140.11852	0.3
141.10187	1.0
142.03511	12.5
142.94933	1.1
143.00137	1.0
143.01892	14.2
143.03621	12.9
145.01645	1.2
147.01437	0.4
152.01901	0.4
157.01610	0.5
158.06676	0.4
160.04590	2.7
160.96082	0.6
161.01389	1.0
161.02934	18.9
161.04568	3.9
165.95346	0.3
165.96524	2.4
166.03537	0.5
166.05168	0.4
170.03017	1.1
179.04002	4.3
179.05452	0.4
183.97646	1.1
184.04596	4.2
184.07346	100.0
187.02760	0.3
202.05527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0735
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.29793	1.0
52.47486	0.9
58.11868	1.1
59.93104	1.1
60.08178	13.4
60.95851	5.6
71.07375	1.6
78.53579	0.9
86.09709	59.0
86.10241	1.9
92.17834	2.6
98.98444	4.4
101.98463	1.5
104.10730	1.2
109.57298	1.0
118.96771	10.1
119.96851	6.3
124.99155	2.1
125.00012	39.4
141.98376	1.9
142.98410	1.2
143.03438	5.0
184.07352	100.0
184.09859	2.5
184.59784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.95744	0.6
55.94640	0.5
57.80756	0.5
60.08173	10.8
71.07362	3.1
86.09712	63.4
90.75645	0.6
98.98468	3.5
104.10744	0.8
125.00011	47.8
162.39824	0.7
176.86006	0.8
184.07353	100.0
196.58551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93100	3.9
60.08160	6.4
60.95861	35.2
67.28553	2.6
71.07401	3.1
84.91567	2.3
86.09710	64.2
96.88863	3.1
100.95750	3.5
101.95036	15.7
101.98455	11.8
105.91208	2.9
118.96752	48.1
119.96799	43.0
119.99512	3.7
125.00002	45.9
138.09065	5.1
139.03123	3.8
141.98352	11.1
142.98398	17.6
143.03430	19.3
159.36974	3.0
161.04077	3.6
166.08673	3.5
184.07361	100.0
184.09818	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	184.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93103	1.4
60.08178	13.1
60.93129	1.1
60.95862	13.2
61.49788	0.8
71.07362	2.0
86.09710	64.3
86.10245	2.0
92.18340	1.2
98.98463	4.5
101.95033	4.1
101.98466	3.8
104.10741	1.9
118.96763	13.5
119.96820	13.1
120.01994	0.9
125.00005	53.9
138.09132	1.3
139.03087	4.7
141.98312	3.1
142.98538	5.2
143.03409	8.7
184.07352	100.0
184.09746	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	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
60.07924	0.6
60.08175	12.4
60.95856	1.4
68.07281	0.6
71.07375	3.1
71.48686	0.6
86.09711	63.6
93.46328	0.6
98.98456	3.0
101.98479	0.9
104.10735	1.2
113.27802	0.6
114.11211	0.6
118.96772	1.3
119.47337	0.6
119.96802	1.1
125.00005	47.2
157.73221	0.6
184.07347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74038	1.1
58.03616	1.2
59.93103	1.6
60.08173	13.0
60.21086	1.3
60.95595	1.3
60.95864	24.6
67.72685	1.1
71.07370	2.2
83.45601	1.4
86.09711	64.2
87.09188	1.8
94.47577	1.3
98.98425	2.7
101.06102	1.2
101.95036	8.8
101.98454	5.6
118.96777	19.3
119.96801	15.9
120.01986	1.4
125.00016	52.5
138.09108	1.5
139.03104	1.9
141.98337	2.6
142.98645	2.3
143.03354	11.1
184.07349	100.0
184.09720	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	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95882	0.8
56.96566	0.9
58.39298	0.7
60.08178	1.7
80.94968	1.9
82.99850	2.0
84.04516	1.5
85.02911	4.3
87.69513	0.8
88.15776	0.8
94.24258	0.9
97.01460	0.8
101.00895	47.8
102.00993	0.7
109.37751	0.9
115.02431	2.1
117.04004	1.4
119.01925	100.0
120.02023	3.9
121.97578	5.8
124.02457	13.2
124.93918	1.4
124.99950	1.2
125.02608	1.8
125.03490	3.3
127.76213	1.0
133.03477	1.5
135.05061	0.9
137.02969	11.0
138.05453	1.3
140.05577	3.7
142.03514	53.2
142.94963	3.4
143.01952	12.8
143.03618	15.7
144.04807	1.4
157.03418	6.7
160.04556	18.7
160.95930	1.4
161.02950	23.5
161.04649	4.6
165.96553	6.1
166.03516	23.4
166.04929	1.5
175.04514	1.0
179.04025	14.2
183.97675	3.5
184.04562	82.3
184.07179	2.3
184.09540	1.1
184.11003	1.7
184.13298	5.2
185.02872	1.2
202.05623	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	183.1381
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
55.05521	10.9
57.07087	10.6
59.93101	8.1
67.05495	5.4
68.99785	8.1
69.07067	7.0
70.24387	1.0
71.01362	43.9
71.04991	1.7
72.07163	1.0
79.05511	1.6
81.03412	2.2
81.07060	8.5
90.70489	1.1
95.04978	2.1
95.08598	7.1
99.04436	6.7
100.95715	6.9
111.04407	1.3
112.91525	1.6
113.06009	15.8
118.96767	100.0
123.04376	1.3
127.07569	10.2
128.96251	1.4
141.98360	26.2
142.03453	1.2
160.04578	1.4
172.71358	1.3
183.13811	68.0
183.15450	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	183.1018
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
53.03954	1.0
55.01872	1.9
55.05523	6.9
57.03440	1.7
65.03951	1.4
67.05515	50.0
69.03444	1.9
69.07079	4.0
71.05004	2.3
79.05501	9.7
81.07066	51.8
83.04970	2.0
85.06524	1.0
87.04465	2.0
91.05479	12.7
92.63705	1.0
93.07051	12.4
95.04974	44.4
95.08610	16.5
97.06531	6.8
99.08084	1.0
101.02350	1.3
105.04538	1.2
105.07019	4.3
107.04942	1.3
107.08591	36.0
109.06526	94.1
109.10163	100.0
111.04436	15.3
115.03912	1.5
117.07016	2.0
119.08583	50.6
121.10115	4.0
123.04424	15.5
123.08085	6.8
127.07558	1.5
129.07004	1.1
135.08179	1.2
137.06004	6.9
137.09624	36.8
140.04689	2.1
141.05453	1.5
142.03531	1.8
147.08076	7.0
153.09056	2.1
155.06996	1.5
165.09119	8.8
183.02866	4.1
183.06549	2.4
183.10156	4.9
183.11659	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	183.0781
Annotation	Triethyl phosphate
Peak:m/z	Relative Intensity
55.97575	0.1
56.56864	0.1
64.55546	0.1
72.83318	0.1
79.30585	0.1
94.32582	0.1
98.98475	100.0
103.46934	0.1
112.95486	0.1
116.99517	1.0
127.01572	28.3
142.66612	0.1
155.04683	8.4
157.88293	0.1
183.07805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
51.02396	0.2
53.03958	2.9
55.01878	1.5
62.93866	0.1
65.03944	1.2
65.09872	0.2
66.13776	0.2
67.05511	3.8
68.99814	0.2
77.03934	2.7
81.03427	0.4
95.04969	88.6
100.97214	0.2
100.98029	0.2
105.04515	6.0
111.04459	0.2
118.96790	1.0
118.98202	0.2
119.01949	0.2
121.04031	0.2
123.04427	100.0
125.02362	1.0
137.07933	0.3
137.09618	0.3
140.04684	30.6
141.05518	0.3
142.03462	1.4
155.07025	28.3
160.04524	0.3
165.05475	0.2
165.07394	0.3
177.86156	0.2
183.06532	8.6
183.09132	0.6
183.11696	0.4
198.67497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84100	0.1
59.51403	0.1
61.36911	0.1
62.27684	0.1
67.55225	0.1
82.01442	0.4
82.99836	1.5
95.83942	0.1
100.02503	0.8
100.97189	0.1
101.00887	20.7
103.86945	0.1
111.00459	0.1
114.82896	0.1
118.03528	0.9
119.01923	32.9
124.02455	21.1
136.04544	0.4
137.02960	3.9
142.03505	100.0
144.03949	0.1
156.05042	0.2
160.04550	23.6
165.05124	1.3
178.05612	1.8
183.06200	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	183.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03445	5.8
57.37408	0.4
61.02936	4.2
63.32951	0.4
65.30566	0.4
69.03435	4.4
73.02921	10.2
81.03404	2.1
82.25117	0.4
82.99845	0.6
85.02919	6.7
87.04476	0.5
93.01906	1.4
94.02676	0.6
95.04969	0.8
97.02893	6.0
98.97570	0.5
99.04452	2.0
100.02620	0.7
100.05806	0.5
100.97142	0.5
101.00883	12.5
102.02416	3.8
106.02663	0.7
108.02399	0.9
109.02983	0.6
111.02929	2.8
111.98059	0.5
113.00854	0.9
114.02384	0.8
115.02460	0.7
115.03208	0.7
117.02924	1.0
118.03548	0.7
119.01922	40.9
120.02304	0.6
121.03203	0.5
123.02924	2.8
123.04422	1.0
124.02454	10.7
126.09142	0.5
127.03905	1.1
129.02916	2.4
131.01906	4.7
132.03406	3.5
133.03439	0.8
135.02924	1.0
136.03712	0.7
137.02956	7.9
137.07916	1.8
138.03482	3.6
139.02385	0.7
142.03508	100.0
143.01923	12.2
144.03426	1.8
145.03432	4.0
147.03993	0.8
151.08577	0.5
153.03976	1.9
155.01906	10.6
157.03493	2.6
158.57161	0.4
160.04550	23.1
160.05869	0.8
161.02965	7.2
165.05101	1.7
167.01874	3.2
171.05000	0.6
171.45523	0.5
173.02977	10.2
178.05632	2.2
183.06181	1.8
183.11256	0.9
185.02943	7.4
187.04509	0.5
197.02985	0.9
203.04012	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	182.1542
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.05518	0.7
56.05030	0.8
56.96552	0.7
58.06609	4.7
62.46277	0.6
67.05502	3.5
69.07059	3.3
70.06580	0.9
72.08149	3.7
74.09707	0.7
79.05493	0.6
80.09592	0.5
81.07068	4.5
82.06575	5.2
84.08121	2.5
85.06544	2.9
86.09698	2.2
91.05461	0.7
93.07028	3.9
94.06571	2.9
95.08614	4.9
96.08121	3.1
98.09718	5.8
98.97586	5.7
99.97917	2.4
108.08109	3.3
109.06506	2.3
109.08903	3.8
110.09681	14.4
111.08109	0.7
112.07592	0.8
112.11214	0.9
114.09165	2.2
116.97211	1.2
116.98616	2.9
117.97564	0.8
117.98936	1.4
119.31961	0.6
120.08099	1.4
120.66873	0.5
121.10098	0.7
122.09676	5.2
123.10487	0.7
124.07556	0.9
124.11200	0.6
126.12767	3.3
134.09642	1.1
134.99648	0.8
135.10439	4.0
136.11214	2.5
138.09152	2.1
138.12788	37.6
140.10707	30.8
150.12723	0.7
153.11528	2.1
154.12303	0.7
154.15891	1.2
164.14348	7.4
182.15407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
55.01879	0.6
67.05519	4.5
82.06226	0.5
90.04632	0.5
91.05476	4.5
91.46004	0.5
93.05779	2.7
93.07044	4.9
94.06567	11.4
95.04949	0.8
98.06042	0.8
98.97594	8.0
99.97929	3.7
101.76112	0.5
108.08128	41.4
108.28540	0.5
109.06496	0.7
110.06052	1.1
110.09627	0.8
111.06853	0.5
112.07610	0.8
116.98609	3.6
117.98960	0.8
119.00287	0.5
120.08092	0.7
121.06512	1.2
122.06029	56.2
126.09149	4.1
134.99631	0.6
136.07584	100.0
138.09154	0.9
140.07051	2.6
147.04387	0.7
149.61845	0.5
154.08630	85.7
164.05807	0.9
164.07057	15.1
182.08119	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	182.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97232	0.5
64.97284	0.5
73.02930	0.9
80.22810	0.5
85.02882	0.7
87.04465	3.3
91.05504	0.6
91.37815	0.5
96.04472	2.8
98.05910	0.6
98.97595	4.4
99.97959	1.1
100.11288	0.9
115.83819	0.5
116.98646	2.3
117.98963	0.6
119.01807	1.0
119.04939	3.1
119.38068	0.5
123.04420	4.7
128.02356	0.8
130.63228	0.5
134.99681	0.9
136.07588	12.1
137.35237	0.6
145.03461	0.7
147.04413	1.2
158.99693	0.5
159.03076	0.6
165.05478	3.9
165.46312	0.6
182.05792	100.0
182.11737	2.3
203.07730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96584	1.0
64.17071	0.2
70.06598	100.0
72.08160	0.2
73.12296	0.2
98.97587	19.9
104.54101	0.2
112.08732	56.2
116.97289	0.3
116.98634	7.5
134.75203	0.3
134.99678	1.9
136.83026	0.2
138.65768	0.2
140.00204	0.2
151.07620	0.2
163.03918	0.5
167.77290	0.2
181.14499	7.0
202.70461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
56.96568	2.4
62.76659	0.2
63.70948	0.2
65.03959	1.5
67.05517	1.1
68.95524	0.2
70.06597	100.0
71.49347	0.2
72.08164	1.4
77.03961	0.2
79.05505	1.0
80.19408	0.2
81.03401	0.2
81.07069	0.7
82.04208	0.3
83.04999	0.2
85.02919	1.3
90.46436	0.2
91.05479	7.3
93.03413	0.3
93.07047	4.3
95.04970	1.9
97.06549	0.3
98.97588	54.5
103.05470	2.9
105.04501	0.5
107.04958	7.3
107.08570	0.5
108.02128	0.3
109.06530	0.8
110.03663	0.9
111.04455	2.8
112.08730	58.9
116.97245	1.4
116.98619	31.2
119.04943	11.2
121.06506	7.7
121.10152	1.0
122.03661	0.8
123.58746	0.4
125.05991	0.4
127.17043	0.2
131.04922	1.9
131.05859	0.2
134.99663	11.8
135.04420	6.1
135.08031	0.9
135.09050	0.3
135.11714	0.2
136.05186	0.9
137.05983	29.6
138.03091	0.4
139.02879	0.2
139.03922	5.1
140.00194	1.4
145.02832	1.0
149.05980	6.4
151.07536	7.2
153.00755	1.0
153.05464	1.6
153.11073	0.3
158.01265	1.2
163.01781	1.2
163.03897	10.7
163.11200	0.2
164.07011	0.3
166.02591	0.3
166.06223	0.8
171.06529	1.5
175.62912	0.2
181.04951	13.5
181.08556	4.6
181.12088	0.5
181.14503	6.8
184.03673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
51.86485	0.3
53.03969	0.4
55.01883	0.9
55.05527	0.8
55.88580	0.3
56.96575	4.2
57.03428	0.4
57.07085	22.6
57.70301	0.3
59.05003	1.6
67.05519	0.4
68.06497	0.3
69.03423	0.7
69.07071	0.8
71.05014	0.3
75.04478	0.7
77.58428	0.3
79.05499	5.0
81.03424	3.0
81.07069	4.2
83.04987	31.1
91.05494	6.9
93.03406	1.8
93.07050	8.5
94.80048	0.3
95.04974	11.4
95.08637	0.6
97.06533	17.6
98.97587	71.5
103.05465	3.0
105.07024	4.2
106.04192	2.1
107.04987	3.3
107.08595	9.2
109.06512	1.4
116.97239	2.9
116.98623	43.3
117.07040	2.6
119.04908	0.5
119.08568	2.2
121.06503	15.6
121.10145	21.3
123.08104	1.8
125.05994	78.5
130.07784	0.4
134.03622	1.6
134.99663	14.4
135.04402	0.7
135.08081	4.4
135.11693	6.3
137.05980	6.2
139.03929	0.6
139.07574	0.6
140.00177	2.8
143.08594	0.5
145.10132	9.1
148.05168	0.7
149.05986	11.9
151.07510	0.8
153.00717	1.4
153.09102	3.4
158.01234	2.1
163.03929	3.1
163.07507	2.4
163.11177	100.0
166.06258	2.2
181.04964	2.5
181.08626	15.3
181.12224	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01885	9.2
55.05517	3.5
56.96580	7.9
57.03458	0.7
57.93584	1.9
58.94443	0.4
67.05520	10.5
67.17872	0.5
69.07081	4.7
71.04998	4.2
79.05506	9.7
81.03434	2.0
81.06601	0.9
81.07069	21.8
83.04991	21.3
83.08620	3.7
84.73403	0.4
85.02909	0.9
85.06548	8.3
86.91753	0.4
90.07256	0.6
91.05499	5.2
92.17835	0.6
93.07050	18.6
95.04968	6.4
95.08605	7.1
97.06552	5.0
98.97593	100.0
99.08099	2.5
105.07047	1.9
107.04981	3.3
107.08599	14.9
109.06538	1.0
109.10159	0.9
111.04458	2.4
111.08089	27.9
116.97270	20.0
116.98619	44.9
117.07021	2.7
119.08578	6.2
121.06532	3.2
121.10144	15.5
125.05990	3.0
130.07822	0.5
133.80260	0.6
134.99666	16.4
135.04453	0.5
135.08055	1.9
135.11713	11.6
137.09660	1.1
137.13295	0.5
139.07660	0.5
139.98790	4.6
140.00171	2.4
145.10126	7.9
153.00772	0.5
153.12772	6.0
158.01254	2.5
163.11189	16.5
163.14828	9.8
165.82381	0.4
181.04968	1.7
181.08603	1.8
181.09969	1.1
181.12234	27.9
181.15858	8.5
188.92947	0.4
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	Adriadysiolide
Peak:m/z	Relative Intensity
53.03949	0.6
55.01888	3.5
55.05523	0.5
56.96576	5.1
57.38641	0.4
59.28897	0.4
63.39445	0.4
65.03957	2.1
65.89632	0.5
67.05516	0.9
69.03451	0.6
69.07073	0.5
71.05018	0.6
71.14193	0.4
75.04484	5.9
79.05506	5.7
80.61631	0.5
81.03458	0.5
81.07038	0.8
83.04976	1.0
85.02937	1.9
91.05486	21.3
91.06055	0.8
93.03406	8.8
93.07048	17.6
95.04971	8.6
97.06531	2.9
98.97589	100.0
101.25182	0.5
103.05484	8.5
105.04529	0.9
105.07030	3.7
106.04176	8.7
107.04982	3.6
107.08605	16.7
109.06528	3.1
111.08092	0.5
115.05442	3.3
116.97238	4.0
116.98624	52.1
117.03420	0.5
117.07045	5.0
119.04933	0.9
119.06071	0.6
119.08598	0.9
121.06507	46.7
121.10150	10.7
122.07289	0.8
123.04379	0.6
123.08066	1.1
124.05188	0.8
125.06001	4.2
134.03606	3.9
134.99672	17.8
135.04463	0.6
135.08066	25.9
135.11684	2.4
137.05986	5.4
138.06752	2.9
139.07559	3.3
140.00197	3.0
145.10149	0.6
148.05188	2.7
149.05989	40.4
152.08328	2.2
153.00702	0.9
153.05501	1.1
153.09126	11.3
158.01233	2.3
163.07538	6.4
163.11172	3.2
163.14857	0.7
163.25343	0.5
164.07115	0.7
166.06245	2.6
166.07695	0.7
181.04993	4.8
181.08611	35.5
181.09883	1.9
181.12112	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	181.086
Annotation	80638-48-8
Peak:m/z	Relative Intensity
55.01886	0.3
56.96571	3.2
57.03422	0.2
64.13309	0.2
65.03941	1.1
67.05508	0.4
70.06583	0.3
77.03905	0.2
79.05495	0.7
81.07063	0.3
85.02909	0.3
85.07836	0.2
91.05481	14.2
93.03398	0.2
93.07043	3.9
94.04181	0.4
95.04959	2.0
95.08618	0.2
97.06546	0.3
98.97585	52.5
100.92200	0.2
103.05469	4.4
105.04513	0.2
107.04958	6.1
107.08611	0.2
109.06502	0.8
111.04455	2.0
116.97240	1.1
116.98619	34.1
117.03365	0.3
119.04939	31.2
121.06498	6.5
122.03647	2.2
122.06076	0.2
123.08717	0.2
123.58802	0.3
125.06003	0.6
131.04929	7.7
131.05925	0.4
134.99658	13.4
135.04425	5.8
135.08072	0.7
135.09108	0.2
135.10069	0.2
136.05180	2.5
136.08440	0.2
137.05980	100.0
138.03110	0.2
139.03891	3.1
139.07516	0.2
140.00191	1.2
145.02858	1.2
149.05986	5.2
149.07140	0.3
151.07541	23.5
153.00717	1.6
153.05484	0.7
153.09151	0.2
153.11140	1.4
158.01250	2.0
159.49210	0.2
161.46268	0.2
163.01918	1.3
163.03899	13.3
163.07483	1.4
163.11206	0.2
164.10780	0.2
166.02565	0.2
166.06221	0.3
171.06546	0.8
181.02969	1.1
181.04958	6.9
181.06158	0.3
181.08466	4.4
181.12100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03942	0.6
55.01876	2.2
55.05527	0.7
56.96580	5.3
57.03442	0.5
57.07084	13.4
59.05005	0.8
65.03932	0.7
67.05505	0.5
69.03429	0.4
69.07062	0.6
70.32882	0.3
75.04478	2.5
78.04691	0.4
79.05505	2.7
81.03421	2.5
81.07055	2.7
83.04984	19.5
85.02881	0.4
91.05482	11.9
93.03416	3.5
93.07041	10.9
95.04972	9.9
95.08612	0.9
97.06535	11.7
98.97587	100.0
103.05468	4.6
105.03388	0.4
105.04523	0.5
105.07028	2.0
106.04173	4.1
107.04960	2.4
107.08595	4.6
108.05735	0.6
109.06519	0.7
110.03652	0.5
113.10069	0.3
116.97236	3.5
116.98621	55.4
117.07047	1.4
119.04926	0.5
119.08566	1.7
120.05729	0.8
121.06502	31.0
121.10149	9.6
122.07259	0.8
123.08011	1.3
125.05994	52.7
130.07799	0.6
134.03650	2.8
134.99658	18.2
135.04404	0.7
135.08012	1.3
135.11685	4.1
136.05200	1.5
137.05997	8.3
138.06773	4.1
139.07500	1.4
139.98840	0.5
140.00208	2.5
145.10132	6.1
148.05170	2.0
149.04819	0.8
149.05984	21.1
151.07564	2.4
152.08301	0.5
153.09119	4.9
158.01285	2.6
163.03903	1.4
163.07562	3.0
163.11179	63.7
166.06323	4.4
174.73312	0.4
181.05063	3.8
181.08612	36.0
181.12210	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0861
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
53.03962	0.4
54.88965	0.4
55.01867	0.5
55.05529	0.5
56.96559	0.9
65.03950	1.0
65.13586	0.4
66.69822	0.4
77.03940	0.6
79.05511	1.6
81.07043	1.1
83.05002	0.5
90.69098	0.4
91.05490	24.5
93.03420	0.8
93.07053	29.3
95.04980	6.3
95.08608	0.7
97.06515	0.6
98.97591	27.4
103.05486	11.6
105.04506	1.0
105.06998	0.7
107.04942	0.7
107.08575	2.3
110.03671	0.5
111.04418	2.3
116.97282	1.4
116.98617	14.9
119.04954	4.1
120.05702	5.3
121.06509	43.9
121.10162	7.5
123.04422	2.6
123.08107	0.6
124.05202	0.6
125.06020	4.1
131.04919	0.8
131.06056	0.9
133.02837	1.1
134.99623	3.8
135.08035	2.5
135.11688	1.7
136.05202	0.8
136.07588	0.8
137.05991	2.9
138.06763	6.1
139.07568	1.9
145.10208	0.7
147.04411	2.7
148.05177	5.0
149.06001	11.9
151.03888	5.0
151.07509	1.8
153.05415	0.7
153.06934	0.6
163.07523	0.7
163.11179	2.4
164.07071	5.0
166.06261	34.8
181.05052	3.4
181.08606	100.0
181.12103	2.0
203.58656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
51.84124	0.3
52.03986	0.3
53.03949	0.7
53.27550	0.2
55.01881	1.9
56.96574	5.7
57.73097	0.2
61.81323	0.3
65.03951	2.6
67.05505	0.7
71.50275	0.3
75.04495	2.5
77.03924	0.5
79.05499	1.3
81.03455	0.3
81.07069	0.3
83.90184	0.3
85.02914	0.8
89.03880	0.3
91.05487	11.7
93.03415	3.8
93.07045	13.1
93.07623	0.6
95.04984	4.6
95.08536	0.3
97.06561	0.6
98.97590	100.0
103.05488	6.6
105.04556	0.7
106.04166	3.7
106.04803	0.4
107.04960	1.6
107.08618	0.8
108.05762	0.5
109.06524	0.6
110.03629	0.5
111.04455	0.4
116.97247	3.2
116.98625	53.2
119.04952	0.7
120.05723	0.6
121.06506	30.7
121.10135	2.6
122.07285	0.6
123.04401	0.5
123.08011	1.0
125.05976	0.7
131.04880	0.3
131.06046	0.4
132.56110	0.3
134.03641	2.7
134.99669	19.3
135.04402	0.5
135.08075	0.6
135.11714	0.4
136.05211	0.5
137.05992	3.7
138.06772	1.7
139.07568	1.6
139.98846	0.4
140.00206	2.9
148.05183	1.5
149.05991	25.3
151.07565	0.4
153.00746	1.4
153.05492	0.6
153.09109	5.4
158.01257	2.2
163.03905	0.7
163.07552	3.3
163.11211	0.4
166.02583	0.3
166.06238	4.0
171.06560	0.7
181.05008	8.6
181.08604	28.3
181.12111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0861
Annotation	80638-48-8
Peak:m/z	Relative Intensity
55.05511	0.2
55.98171	0.1
56.03911	0.2
56.96577	1.3
65.03944	0.6
67.05509	0.3
70.06617	0.2
79.05498	0.8
81.07048	0.3
82.67102	0.1
83.04981	0.2
85.02887	0.9
91.05482	12.3
93.03421	0.3
93.07028	0.6
94.04169	0.8
95.04969	1.1
97.02895	0.2
98.97589	25.9
100.46545	0.2
103.05479	1.6
107.04975	1.4
111.04444	0.3
115.57487	0.3
116.97237	0.7
116.98621	12.6
117.03324	0.2
119.04944	27.1
121.06511	0.9
122.03635	2.6
123.08677	1.9
123.58808	1.9
125.06042	0.3
131.04929	7.6
134.99669	3.4
135.04424	1.4
135.05334	0.2
135.06827	0.2
135.08076	0.4
135.09148	0.2
136.05208	3.1
137.05986	100.0
139.03925	0.2
140.00197	0.8
145.02913	0.3
149.06030	0.2
150.06764	0.2
151.07549	23.8
153.05452	0.8
158.01245	0.7
163.01793	0.3
163.03900	3.8
163.07513	1.2
171.06448	0.2
181.02625	2.2
181.04956	4.2
181.06363	0.2
181.08516	2.2
181.09959	0.3
188.38647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.15266	0.2
55.01873	0.4
56.96573	5.6
65.03946	2.4
67.05518	2.2
68.99783	0.2
69.03400	0.4
74.21746	0.3
75.04503	0.3
77.03924	0.3
79.05496	10.3
81.03432	0.4
81.07064	6.5
82.04204	0.4
82.56236	0.3
83.04989	0.2
85.02893	0.9
91.05486	9.0
93.03414	0.6
93.07039	1.5
94.04180	4.3
95.04969	4.4
97.06533	1.5
98.97586	100.0
103.05476	0.5
105.03371	0.4
105.04532	0.5
107.04958	9.1
107.08595	0.6
108.89837	0.2
109.02903	0.3
109.06516	7.2
110.03692	1.9
111.04449	1.7
116.97234	3.8
116.98618	61.7
119.06085	0.5
121.02895	1.0
121.06509	2.8
121.08461	0.2
121.10130	1.9
123.04440	4.1
123.08626	1.0
123.58865	0.4
125.05997	8.6
134.99658	23.6
135.04427	7.2
135.05444	0.6
135.08046	0.5
137.05989	2.9
138.03113	1.8
139.03952	0.3
139.98810	1.1
140.00201	3.1
145.10098	0.3
149.05974	2.1
151.03934	1.8
151.07570	0.3
153.00711	2.0
153.04333	0.4
153.05467	5.5
153.09055	0.4
158.01242	3.5
163.03867	1.7
163.07500	0.5
163.11180	0.9
166.02617	13.9
171.06512	1.8
181.04955	93.4
184.03664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	3.8
66.52576	0.1
69.03421	0.1
82.44344	0.1
85.02903	0.3
91.05479	0.5
93.07046	0.8
95.04974	0.1
97.99174	1.2
98.13882	0.1
103.05471	2.8
105.07022	1.0
108.04498	0.1
116.00208	0.3
119.08636	0.1
120.08105	100.0
121.06506	4.8
121.07386	0.1
131.04916	1.4
134.06064	0.1
135.08081	0.4
148.04654	0.1
152.04395	0.1
152.07054	0.2
163.07512	1.2
180.06548	0.1
180.10167	3.0
180.11569	0.1
180.13805	0.4
182.03020	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1386
Annotation	Mexiletine
Peak:m/z	Relative Intensity
56.96577	1.6
58.06620	0.2
59.62081	0.3
61.00463	0.2
65.03953	0.4
72.08162	8.8
72.24528	0.2
83.64985	0.2
88.07637	19.7
91.05487	100.0
111.94377	0.2
134.06033	0.3
134.09680	0.4
162.05592	0.3
180.06578	2.3
180.13840	63.8
181.10652	0.3
184.81183	0.2
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	Unknow
Peak:m/z	Relative Intensity
50.66067	0.3
55.01873	1.0
55.05510	0.4
56.96565	1.8
60.04531	0.7
61.51122	0.4
67.05515	19.5
72.04507	0.8
79.05504	6.6
80.05021	0.6
81.07060	1.7
84.04512	4.0
84.08131	1.9
84.88387	0.4
85.02900	0.5
91.05466	3.2
93.07043	8.7
95.04939	0.6
95.08621	4.8
97.99165	0.5
98.09645	0.7
106.06544	1.0
107.04977	3.7
107.08598	5.4
109.10166	20.2
110.03519	6.6
110.06042	2.8
110.09703	0.9
117.07020	7.4
119.08645	0.6
120.08136	0.5
124.11239	3.1
132.08092	3.4
134.06021	0.8
134.09657	19.5
135.03027	0.7
135.08061	15.1
137.08243	3.9
148.06169	3.6
152.07135	1.8
152.10713	74.9
153.04121	2.6
162.05450	0.6
162.07776	0.8
162.09081	0.6
180.08810	100.0
180.10194	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	180.102
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
51.00487	0.3
55.05509	1.2
55.70937	0.3
67.19208	0.3
69.07060	0.4
70.06577	0.8
72.08154	2.0
82.21674	0.3
84.05628	1.7
84.08163	3.6
86.09716	3.2
87.04499	0.5
103.16008	0.4
118.29778	0.3
120.02085	0.4
120.05272	0.4
120.96432	0.3
121.07631	0.5
123.08629	7.3
126.10281	1.9
129.10254	0.4
130.08644	0.7
134.09625	0.4
136.07616	0.5
138.09290	0.4
138.10220	2.4
147.11327	0.8
148.04758	1.3
152.11859	0.4
162.09111	0.4
163.04984	0.5
164.07027	1.5
165.07855	58.2
175.11990	0.4
180.10190	100.0
180.14952	27.4
185.58676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96342	0.1
56.96574	1.3
62.84444	0.1
74.61267	0.1
76.58363	0.1
78.02592	0.1
85.02879	0.1
89.36561	0.1
91.05474	0.4
93.05219	0.1
93.07063	0.8
95.04977	0.1
97.99179	0.5
103.05474	2.3
105.07029	0.5
116.00181	0.1
120.08101	100.0
121.06496	4.4
131.04935	1.6
135.08070	0.4
160.56018	0.1
163.07518	1.0
180.06546	0.1
180.10173	2.5
180.11597	0.2
180.13863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.86138	1.2
55.01867	1.6
55.05506	7.9
56.31575	1.2
57.03442	3.4
57.07078	3.1
57.40698	1.1
67.05511	10.6
68.30681	1.2
68.98745	1.2
69.03419	2.8
69.07079	14.0
71.04981	2.2
71.08668	1.3
72.54565	1.2
79.05490	3.2
81.07059	13.7
83.04990	23.1
83.08610	3.0
83.32000	1.3
85.06532	2.2
91.05482	21.6
93.07035	12.7
95.04985	10.3
95.08614	58.4
97.80418	1.4
105.07048	18.8
107.08591	13.9
108.05693	1.9
109.06531	12.7
109.10181	27.0
119.04947	14.8
119.08591	19.6
121.06496	2.9
121.10158	19.1
123.04403	8.4
123.08067	32.1
123.11694	3.4
133.06488	3.0
133.10127	16.1
135.11688	14.0
136.05191	9.5
137.05984	24.3
137.09615	16.6
137.13248	2.6
143.08582	1.4
147.04420	20.0
151.07573	19.0
151.11133	2.1
151.14832	33.1
161.05952	2.5
161.09589	9.0
161.13269	17.9
164.04710	2.0
179.03377	5.6
179.07027	36.7
179.08453	2.8
179.10735	17.6
179.14307	100.0
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
55.01888	3.2
55.05528	11.5
57.03461	2.6
61.94809	1.4
65.55421	1.4
67.05180	2.6
67.05515	53.2
69.07066	10.6
76.81772	1.8
79.05060	2.5
79.05496	38.3
81.03432	15.0
81.07064	57.0
83.04991	24.0
83.08628	12.3
83.49400	1.4
85.06518	2.2
91.05479	29.3
93.07051	33.5
95.04956	6.9
95.06085	10.2
95.08610	39.9
96.05643	1.8
97.04012	3.7
97.06532	26.2
97.10153	2.0
105.07050	19.0
107.08602	8.4
109.06528	8.6
109.10178	13.2
110.07179	1.7
111.08110	6.5
113.09646	9.1
119.08579	29.5
119.46546	1.6
121.10143	7.2
123.08021	2.7
133.10121	20.4
135.11714	6.6
137.08238	32.0
137.09357	2.5
138.10252	2.8
159.11670	1.8
161.06104	1.8
161.08212	2.0
161.13245	20.8
162.10269	1.7
179.09265	10.1
179.13014	5.6
179.14311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.69971	1.6
55.01871	2.4
55.05521	15.3
57.07068	2.3
67.05182	2.8
67.05513	61.6
67.12675	1.5
69.07055	8.0
79.05499	46.4
79.33974	1.7
81.03418	11.7
81.07066	70.5
81.60033	2.2
83.04993	24.9
83.08626	13.2
91.05476	32.9
93.07043	28.7
95.04973	7.8
95.08061	2.5
95.08621	54.8
97.06537	21.6
97.10145	3.7
105.07035	21.6
107.08599	8.9
109.06511	3.8
109.10142	9.0
111.08077	10.5
113.09641	10.8
119.08595	30.1
121.10139	4.3
123.08086	2.4
124.93598	1.9
133.10106	28.6
135.11678	9.9
137.09528	2.2
161.13257	27.4
179.14311	100.0
197.15547	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	179.0703
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
55.01624	0.9
55.01883	23.2
65.03938	0.9
66.34773	0.7
67.05492	0.9
69.07063	0.7
79.05495	1.0
81.07059	1.6
90.44823	0.6
91.05492	18.4
93.07024	1.3
95.04989	4.9
95.08623	1.1
96.40739	0.7
103.05482	1.2
105.07034	18.9
107.04920	0.7
107.08590	1.0
109.02916	0.6
109.06512	0.9
109.10164	1.6
115.05477	3.5
118.04171	2.6
119.04942	43.0
119.08556	4.0
123.04454	7.8
123.08060	1.0
123.11702	1.0
124.00986	0.7
133.06488	22.7
133.10120	7.9
135.08151	0.8
136.05196	5.3
137.06007	5.2
137.09578	1.2
146.03616	6.3
147.04416	100.0
151.03877	1.2
151.07571	6.4
151.11111	1.2
161.05977	56.2
161.09589	3.6
161.13242	1.4
164.04681	2.7
179.03413	3.0
179.07036	55.2
179.08430	3.7
179.10561	6.1
179.14273	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	179.0704
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.72961	0.3
55.01876	0.3
56.08640	0.3
65.03943	0.6
65.41010	0.3
69.03420	0.4
70.06600	0.3
72.08157	1.2
72.89955	0.3
78.51730	0.3
79.05515	0.2
81.72956	0.2
84.05643	0.3
84.08134	1.2
87.71373	0.3
91.05485	13.1
93.07030	0.4
95.04980	0.5
95.08585	0.3
97.02895	6.2
100.02409	0.4
101.00899	2.7
105.07017	0.4
119.01933	11.4
119.04943	54.4
123.04430	0.3
123.08064	0.4
127.62476	0.3
133.01633	0.6
133.03445	1.1
133.06494	1.2
133.07478	0.3
135.05489	0.3
136.05205	0.4
137.02992	2.3
137.05986	5.6
137.11574	0.5
140.60492	0.7
147.04413	100.0
151.06345	0.5
151.07553	3.4
161.02957	3.5
161.05939	1.2
161.07065	0.4
161.08226	1.9
164.04686	1.6
176.33447	0.3
179.01857	0.5
179.03986	3.4
179.07022	19.6
179.08235	6.0
179.11649	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	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
55.01870	1.2
60.73176	0.2
67.05498	0.4
78.97606	0.3
87.19649	0.3
91.05481	4.3
95.04987	0.4
105.07037	2.8
107.04949	0.3
109.06576	0.3
115.53498	0.3
119.04953	9.0
119.08579	1.3
122.53280	0.3
123.04455	0.3
123.08069	0.3
127.59004	0.3
133.06519	3.9
133.10114	1.9
136.05196	0.5
137.05989	35.7
147.03563	0.5
147.04420	10.0
151.07535	2.9
161.05937	1.2
161.09558	0.5
163.76149	0.3
164.04668	9.5
179.07034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
55.01868	5.6
56.74703	0.8
65.03926	1.1
67.05511	2.2
68.99792	1.5
71.08605	0.8
75.48817	0.8
77.03899	1.0
79.05493	5.2
81.07050	5.7
90.89516	0.8
91.05490	14.1
93.07029	1.6
95.04965	9.6
95.08600	4.5
99.83813	1.0
105.07042	14.6
107.04929	1.1
107.08570	1.1
108.05726	1.4
109.02864	1.5
109.06515	3.6
109.10155	3.6
110.03655	4.8
111.04387	0.9
119.04936	19.9
119.08588	1.7
121.02869	3.4
121.06489	2.0
123.04432	100.0
123.08075	9.5
128.08644	0.8
133.06497	5.3
133.10201	6.3
136.05231	1.6
137.05984	25.3
137.09608	3.4
147.04411	27.9
151.03944	6.6
151.07547	51.5
161.06021	7.6
161.06963	6.5
161.13240	1.1
164.04701	1.3
179.07034	93.4
179.10611	5.8
179.14203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
56.74703	0.8
65.03926	1.1
67.05511	2.2
68.99792	1.5
71.08605	0.8
75.48817	0.8
77.03899	1.0
79.05493	5.2
81.07050	5.7
90.89516	0.8
91.05490	14.1
93.07029	1.6
95.04965	9.6
95.08600	4.5
99.83813	1.0
105.07042	14.6
107.04929	1.1
107.08570	1.1
108.05726	1.4
109.02864	1.5
109.06515	3.6
109.10155	3.6
110.03655	4.8
111.04387	0.9
119.04936	19.9
119.08588	1.7
121.02869	3.4
121.06489	2.0
123.04432	100.0
123.08075	9.5
128.08644	0.8
133.06497	5.3
133.10201	6.3
136.05231	1.6
137.05984	25.3
137.09608	3.4
147.04411	27.9
151.03944	6.6
151.07547	51.5
161.06021	7.6
161.06963	6.5
161.13240	1.1
164.04701	1.3
179.07034	93.4
179.10611	5.8
179.14203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
51.37571	0.6
52.15565	0.7
55.01886	20.9
60.22054	0.6
61.02508	0.6
62.59130	0.6
63.83560	0.6
65.03942	1.3
66.34157	0.8
78.29498	0.7
79.05497	4.1
79.71584	0.7
81.07080	0.9
81.22544	0.7
83.04968	1.2
91.04939	1.1
91.05485	30.9
91.69541	0.7
95.04978	5.5
97.80089	0.7
103.05461	1.8
105.07028	15.1
107.04966	1.3
107.08580	1.0
107.85921	0.7
108.05724	1.2
109.02885	0.8
109.06533	1.7
115.05426	1.8
119.04944	66.9
119.08610	1.2
123.04440	17.9
123.08061	4.9
131.04980	0.9
132.02060	1.6
133.05502	1.0
133.06499	22.1
133.10110	4.1
136.05196	9.4
137.05983	8.4
146.03607	4.4
147.04416	100.0
151.03844	0.7
151.07547	25.1
151.09384	0.9
161.05972	40.4
161.09550	1.0
164.04694	5.0
176.89467	0.8
179.03600	2.1
179.07028	80.9
179.10608	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	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06378	0.1
52.44180	0.1
54.92555	0.1
55.01385	0.1
58.99866	0.1
61.07468	0.1
62.56337	0.1
80.16053	0.1
82.99819	0.9
98.97624	0.1
100.02467	0.3
101.00887	25.7
106.99464	0.3
115.01186	0.4
115.02420	0.7
115.99944	0.3
118.03538	0.1
119.01923	100.0
120.02032	0.1
121.02345	0.4
124.02435	0.1
131.01889	0.1
133.01543	0.1
133.03465	2.5
137.02963	21.9
138.04012	0.4
142.03490	1.2
143.01941	1.6
143.02945	0.1
143.03825	0.5
151.04494	0.1
156.05038	1.2
160.04581	0.2
161.02953	34.8
161.04182	1.8
174.06114	0.1
175.04568	0.1
179.04005	34.4
181.04428	0.1
181.30678	0.1
184.04594	0.5
184.06148	0.1
193.05475	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	178.1229
Annotation	Ethcathinone
Peak:m/z	Relative Intensity
55.05517	0.9
56.13151	0.6
61.23661	0.6
67.05507	0.8
68.05035	0.9
69.07058	0.8
74.86459	0.6
79.05521	0.8
79.39476	0.7
84.05630	3.6
85.12791	0.7
85.91290	0.7
91.05476	8.9
93.07098	0.8
95.08627	7.4
96.05614	9.6
97.95017	0.7
103.05514	1.5
105.07037	44.3
110.07168	3.5
114.03752	1.7
117.05759	0.9
117.06992	1.0
118.03696	3.3
118.06544	18.1
118.96736	7.4
119.07308	2.8
120.08126	3.4
122.07138	1.5
126.87173	0.7
128.06206	6.2
130.06523	3.1
131.07307	4.6
131.08553	1.6
132.08098	7.5
133.99057	1.0
136.95425	1.0
143.08586	5.4
146.03114	7.3
150.06334	3.6
150.09142	1.5
154.96494	2.8
160.11217	100.0
177.98096	2.9
178.04857	26.3
178.08661	4.7
178.12265	46.3
178.13469	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	178.1228
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
53.09404	0.2
54.77798	0.2
56.16767	0.2
61.14184	0.2
70.68806	0.2
72.19885	0.1
72.56923	0.2
74.72282	0.2
74.98242	0.2
79.11597	0.2
82.94044	0.2
117.05621	0.2
117.06993	0.2
118.06558	2.0
119.07311	1.9
130.06570	0.2
132.08069	1.2
134.09657	30.3
141.83257	0.2
148.08617	0.2
160.11172	0.3
162.09116	0.4
163.09904	0.7
178.12270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.05
Annotation	Isalexin
Peak:m/z	Relative Intensity
51.04871	0.1
51.31520	0.2
51.99405	0.1
55.05490	0.2
58.06557	0.2
63.42252	0.2
68.99772	0.3
70.06567	1.0
70.58127	0.2
71.06939	0.2
71.72747	0.2
72.04521	0.2
72.08139	0.2
77.94122	0.3
79.52872	0.2
80.05011	0.9
82.06599	0.2
84.04510	0.2
88.02207	0.2
88.07604	1.0
90.57731	0.2
98.97575	0.3
98.98231	0.2
108.04488	4.4
114.03766	0.3
114.09179	0.3
116.01089	0.2
116.07092	4.6
118.08642	0.3
118.96761	8.1
119.01878	0.2
122.06014	0.4
123.04421	0.2
127.05067	0.2
132.04417	0.2
132.08101	0.3
133.03105	0.3
133.99118	1.9
134.02321	0.2
136.03917	0.2
136.95430	0.3
142.03462	0.4
146.03529	0.2
146.16301	0.2
148.61140	0.3
150.01353	0.8
150.02654	0.2
150.05470	0.8
150.09079	0.4
154.96480	2.9
159.96985	0.8
160.04680	1.3
160.07553	1.1
160.09656	0.2
163.06288	0.4
169.06047	0.3
177.98041	3.2
178.04974	100.0
178.08340	5.5
178.12231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.05
Annotation	Isalexin
Peak:m/z	Relative Intensity
70.40279	0.2
71.32364	0.1
85.67747	0.1
86.85197	0.2
87.64579	0.2
95.08552	0.2
96.05590	0.2
114.03436	0.2
118.03693	0.3
118.96743	0.3
132.04387	0.2
132.08076	0.3
145.02890	0.2
146.03107	1.2
150.06300	0.2
154.96484	0.2
160.03914	5.1
164.04335	0.2
165.23058	0.2
178.04979	100.0
178.13368	0.7
198.10718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
50.08057	1.0
55.23447	1.0
61.93562	1.0
62.08514	1.0
65.84953	1.1
69.03416	1.9
69.07052	4.6
74.25662	1.0
74.75047	0.9
79.05492	2.5
81.07034	4.8
83.08601	1.1
89.03918	2.5
91.05491	10.0
93.07040	5.1
95.04935	1.5
95.08612	11.0
98.97576	1.8
99.04421	1.5
103.05463	4.8
105.07005	1.8
106.04174	11.5
107.08597	14.3
109.10146	1.6
116.98627	1.5
117.03407	8.0
117.07004	11.0
119.08577	1.4
121.06523	11.2
121.10156	19.7
124.45358	1.2
131.04881	1.7
131.08531	6.0
133.10127	1.3
134.03639	1.3
135.04401	2.2
135.11652	2.5
136.02162	1.1
136.06192	1.3
136.07568	1.3
145.02835	23.5
149.02350	26.6
149.05971	15.1
149.09627	2.0
149.13220	1.3
159.08008	2.3
159.11682	1.2
162.03101	2.0
162.06728	5.0
177.05482	25.0
177.09087	100.0
177.12573	3.7
177.16440	16.6
190.03839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
65.84815	0.4
67.38086	0.4
68.78385	0.5
69.07070	0.6
81.07030	0.6
81.49383	0.4
82.32808	0.5
89.03887	0.4
91.05457	2.5
93.07047	2.2
95.08582	0.9
103.05484	0.5
105.07021	0.6
106.04196	0.8
107.08608	1.8
117.03392	4.6
117.07027	5.3
121.06494	3.0
121.10133	2.7
131.08513	1.6
133.06447	0.5
134.07227	0.6
135.08060	1.7
135.11641	0.8
145.02863	6.9
145.06598	0.6
149.02319	2.5
149.06001	2.6
149.09618	2.0
153.70235	0.4
155.07246	0.4
159.94061	0.4
162.06740	6.5
177.05630	5.7
177.09103	100.0
177.12650	2.0
177.16377	2.0
199.68422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
60.63897	0.5
62.32531	0.5
72.78130	0.7
78.28361	0.6
88.89949	0.7
89.03910	5.1
91.05470	2.7
93.07042	0.8
95.04952	0.6
98.97590	2.4
103.05453	0.9
105.06965	0.7
106.04189	1.3
107.04903	0.8
107.08588	0.8
108.62090	0.5
109.05794	0.6
116.98640	0.6
117.03374	17.3
117.07012	4.9
121.06508	3.6
131.08522	3.0
133.17247	0.6
134.03607	2.7
135.04417	1.1
135.08022	1.3
145.02849	32.6
145.06476	1.3
149.02351	6.6
149.05994	20.3
149.09520	0.7
159.08078	1.0
162.06787	5.9
163.03804	0.7
177.05515	20.2
177.09105	100.0
197.04556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	5,6,7,8-tetrahydro-2-Naphthoic Acid
Peak:m/z	Relative Intensity
55.85526	0.1
69.67350	0.1
74.76035	0.1
79.05473	0.2
84.65871	0.1
89.03896	0.6
91.05472	1.2
93.07014	0.3
96.61720	0.1
98.97590	0.2
103.05465	0.5
105.07047	0.2
106.04179	1.1
115.05457	1.0
116.06225	0.6
117.03383	2.5
117.07024	5.8
117.07852	0.2
119.04935	0.2
119.08631	0.2
121.06512	2.1
122.31177	0.1
126.18777	0.1
131.04977	0.4
131.08534	0.2
133.06473	0.9
134.03632	0.2
134.07257	1.0
135.08089	0.9
144.05725	0.5
145.02846	4.6
145.06500	1.0
146.07289	0.1
147.08025	0.2
149.02341	0.6
149.05983	3.6
149.09604	0.9
150.27818	0.1
162.06770	6.3
163.03865	0.2
175.07637	0.2
177.05835	2.9
177.09108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	5,6,7,8-tetrahydro-2-Naphthoic Acid
Peak:m/z	Relative Intensity
89.98106	0.2
91.05476	1.0
106.04141	0.3
115.05470	1.1
117.07020	4.9
119.04965	0.3
121.06482	1.6
133.06512	0.5
134.07266	1.2
135.08023	0.9
145.02850	0.4
145.06483	1.0
149.06099	0.3
149.09612	0.5
157.29179	0.3
162.06767	6.5
177.09113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36746	0.1
69.03435	0.2
80.71841	0.1
83.94080	0.1
89.03919	1.8
91.05490	1.5
93.07032	0.3
103.05448	0.3
105.06991	0.1
106.04182	1.6
107.08627	0.2
115.05459	0.8
116.06211	0.6
117.03378	6.1
117.07021	4.8
121.06501	2.5
131.04915	0.3
131.08562	0.6
133.06493	0.7
133.56366	0.1
134.03622	0.7
134.07254	1.0
135.04439	0.5
135.08046	0.9
141.98650	0.1
144.05708	0.3
145.02850	13.0
145.06454	1.0
149.02321	0.7
149.05977	3.9
149.09621	1.0
161.06006	0.2
162.03114	0.2
162.06758	6.8
163.03897	0.6
177.05676	5.9
177.09102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67339	2.3
55.05514	5.7
56.96575	3.2
57.03454	3.9
57.49631	2.3
58.65082	2.1
60.05648	12.3
61.04045	3.2
62.74890	2.2
69.03421	13.6
70.06591	11.5
72.08162	100.0
73.08503	11.1
77.04001	2.6
77.94777	2.4
78.06898	41.1
78.57058	10.5
79.05513	3.7
81.03421	3.7
84.05636	70.7
85.05988	5.2
85.87948	2.5
87.04444	2.9
89.03907	2.8
91.05489	9.1
93.07031	12.7
95.08599	4.4
96.05676	2.4
97.06504	6.5
98.06020	3.0
98.97595	46.0
99.04463	11.3
116.98651	21.1
117.03352	14.3
117.07427	2.9
119.08598	4.5
121.06499	5.9
127.08738	9.8
131.01932	5.2
131.04950	5.8
131.05992	9.0
134.06027	2.8
138.10300	14.0
145.02843	31.1
145.14162	2.9
147.10257	2.6
147.60374	5.2
149.02347	13.0
149.05959	11.1
154.03409	3.2
155.12871	10.8
156.10820	13.0
156.60965	23.4
159.10054	3.8
159.13214	6.2
159.38216	2.9
160.07547	29.7
176.07039	37.8
177.05414	17.8
177.06599	15.8
177.07863	15.5
177.12422	4.0
198.12387	38.3
199.12627	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
57.64666	0.3
60.70933	0.3
63.02383	0.5
69.07077	0.5
71.40247	0.3
78.04740	0.6
79.05512	0.5
89.03922	10.4
91.05504	1.8
92.18346	0.5
93.07049	2.0
94.95905	0.4
95.08590	0.9
103.05465	0.7
105.07050	0.5
106.04189	2.0
107.08598	2.2
117.03382	42.1
121.06517	1.7
121.10146	2.9
131.04930	0.5
131.08562	0.7
134.03621	3.3
135.04419	2.0
136.06201	0.4
145.02853	100.0
149.02336	1.7
149.05989	18.4
149.07124	0.8
149.13258	0.4
159.11728	0.8
163.03891	2.0
177.05472	32.6
177.08995	3.4
177.12761	2.5
177.16402	1.7
186.05499	0.9
198.06485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48617	0.5
57.03446	0.6
69.03426	1.7
71.04990	0.6
73.85574	0.4
76.77342	0.4
78.04731	0.7
81.03399	0.5
85.11120	0.5
89.03918	12.4
91.05483	2.8
93.07056	2.0
95.04955	0.7
95.08671	0.5
98.97590	2.9
99.04475	1.0
100.08891	0.5
103.05475	0.8
105.07037	1.0
106.04198	2.8
107.08624	0.9
116.98603	0.9
117.03384	45.2
117.07027	2.1
121.06534	3.3
121.10098	1.7
131.06863	1.5
131.08572	2.4
134.03619	3.9
134.99640	0.5
135.04427	3.3
135.08112	0.6
135.11589	0.5
136.04503	0.6
145.02855	100.0
149.02357	8.2
149.05988	28.4
149.09680	1.1
159.08095	0.6
159.11703	0.8
162.03114	0.8
162.06721	0.9
163.03893	3.5
177.05470	37.8
177.09070	23.2
177.12708	1.8
186.05544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.5
60.96551	0.3
65.96812	0.4
71.05019	0.4
72.99767	0.3
81.07087	0.4
89.03916	11.0
91.05492	2.9
93.07053	0.8
95.04956	0.4
103.05489	1.7
105.07077	0.4
106.04195	4.2
117.03387	43.0
118.02139	0.4
121.06526	2.7
121.10187	0.7
124.05101	0.5
130.74438	0.4
131.04930	0.9
131.08591	0.8
134.03642	3.1
135.04449	2.7
145.02855	100.0
147.04485	0.4
149.02341	6.0
149.05986	23.5
159.08075	0.5
162.03134	2.1
163.03876	0.5
177.05464	34.0
177.09076	2.2
177.12738	0.8
177.16295	0.5
186.05545	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
66.20187	0.4
69.03432	0.4
69.07079	0.6
75.27175	0.3
78.04736	0.5
81.07074	0.7
85.40519	0.4
89.03920	9.4
91.05484	3.2
93.07038	0.9
95.08616	0.7
103.05486	2.1
106.04160	3.0
107.08605	2.4
117.03383	42.4
117.06966	0.5
119.04913	0.6
121.06491	2.4
121.10165	4.2
122.01142	3.1
131.01704	4.7
131.04936	0.9
131.08549	0.7
133.51990	1.4
134.03644	2.9
135.04440	3.1
135.08083	0.6
135.11728	0.8
142.52496	2.9
145.02856	100.0
149.02328	3.0
149.05989	20.8
149.06975	0.7
149.09645	0.8
159.11684	0.6
162.03110	0.6
163.03929	0.9
177.05466	34.3
177.08937	4.2
177.12701	3.1
177.16443	3.5
186.05508	0.4
191.23885	0.4
196.27477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
83.84917	0.4
89.03918	10.0
90.22497	0.4
91.05475	0.7
97.61903	0.4
105.04496	0.5
106.04160	1.6
117.03382	47.4
134.03662	4.4
135.04449	2.0
136.06206	0.6
145.02858	100.0
149.05989	22.3
163.03920	1.6
168.21788	0.4
177.05479	25.5
186.05498	0.6
197.53221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.81644	0.4
89.03918	13.2
91.05485	0.6
104.38507	0.5
106.04207	0.8
107.05027	0.5
117.03381	51.4
125.52529	0.4
131.04941	0.5
133.06496	0.5
134.03635	3.2
135.04411	2.7
145.02853	100.0
149.05992	21.3
159.04453	0.5
163.03854	0.6
171.42963	0.5
177.05466	31.8
186.05438	0.5
188.96616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.09733	0.2
55.69090	0.2
62.12047	0.2
63.02384	0.4
78.04737	0.4
89.03928	10.5
89.15488	0.2
90.60324	0.2
91.05483	1.2
92.17861	0.3
93.07082	0.3
95.05019	0.2
103.05517	0.5
106.04168	1.7
117.03387	47.3
119.04927	0.3
121.06489	0.5
123.73656	0.2
131.04976	0.4
131.06927	0.3
134.03644	2.8
135.04440	2.5
145.02861	100.0
147.04456	0.3
149.02373	1.2
149.05992	22.7
162.03223	0.4
163.03935	1.4
177.05479	29.4
177.08902	1.9
177.12712	0.4
186.05592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
60.88411	0.3
63.02401	0.5
85.30280	0.3
89.03924	13.8
91.05471	1.3
94.59866	0.3
98.14389	0.3
98.97593	1.6
100.08949	0.3
103.05466	0.8
106.04194	0.7
107.04990	0.4
117.03384	49.1
120.08080	0.4
121.06531	0.5
134.03648	4.4
135.04395	3.9
145.02856	100.0
149.02216	0.4
149.05991	22.0
160.07552	3.2
162.03091	1.3
163.03922	3.2
177.05469	33.1
177.10197	1.5
186.05487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.22205	0.5
53.59152	0.4
56.28568	0.4
62.29304	0.4
72.04376	0.4
78.83647	0.4
89.03919	10.8
91.05476	0.7
103.05487	0.8
105.51987	0.5
106.04159	0.6
117.03378	42.1
121.10126	0.6
134.03601	3.6
135.04436	2.4
135.92651	0.9
145.02847	100.0
147.68486	0.4
149.02339	3.7
149.05980	22.2
149.07129	1.0
153.93777	0.5
162.03098	0.9
163.03923	2.3
172.12395	0.5
177.05466	36.5
180.99710	0.6
186.05504	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	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59789	1.3
53.85888	1.3
60.12074	1.4
63.79842	1.4
63.99462	1.3
65.52448	1.3
69.03444	2.2
70.45038	1.3
89.03934	11.2
89.04366	1.5
91.05478	6.2
94.90041	2.5
107.08617	2.5
116.48051	1.7
116.97193	1.5
117.03378	39.9
121.10074	1.5
128.19496	1.4
131.08569	2.1
135.04472	2.3
135.92647	7.4
136.02173	3.2
136.06187	3.8
136.07600	1.9
140.48047	1.7
145.02859	100.0
149.02356	42.4
149.06004	18.8
153.93689	16.9
163.03813	1.8
177.05453	38.0
177.08975	3.1
177.12758	5.5
177.16316	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	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04700	0.9
80.90030	0.6
89.03922	19.0
91.05456	1.3
93.07031	1.0
95.04987	0.9
98.97591	2.1
103.05483	1.3
106.04185	1.2
107.04957	1.0
114.51687	0.5
117.03382	53.7
121.06482	2.4
128.52905	0.6
129.07146	0.7
134.03632	5.9
134.57799	0.6
135.04419	8.3
145.02856	100.0
149.02309	2.8
149.05989	31.1
160.07555	0.7
162.03091	2.8
163.03905	12.8
166.15286	0.6
177.05461	53.0
177.13950	0.8
186.05609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
57.46064	0.6
67.98605	0.6
77.59694	0.6
89.03928	11.3
91.05476	1.4
91.87074	0.7
94.90092	0.7
96.39886	0.6
100.62391	0.6
106.04152	0.7
117.03390	43.8
134.03624	2.4
135.04420	4.3
135.92642	1.4
136.02246	1.0
136.06175	1.1
136.07608	1.0
145.02858	100.0
149.02333	9.4
149.05983	18.1
153.93723	3.4
161.00385	0.7
162.03072	0.7
163.03917	2.6
174.66010	0.7
177.05470	35.2
177.08968	0.7
177.12738	1.5
186.05481	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79375	0.3
54.48813	0.3
55.05537	0.5
58.83480	0.3
63.02381	0.5
64.48769	0.4
74.59670	0.4
79.05492	1.7
81.07071	2.7
89.03931	8.9
91.05477	2.5
93.07056	4.7
95.05000	0.6
95.08599	1.7
106.04175	0.5
107.08592	2.9
109.10185	0.5
117.03384	41.8
121.02828	0.6
121.10130	3.6
131.08580	0.5
133.10170	0.8
134.03642	3.4
135.04434	4.3
135.11786	0.7
136.02167	0.4
136.06206	1.8
139.86382	0.5
145.02852	100.0
147.04506	0.4
149.02345	10.8
149.05978	20.0
149.07127	0.9
149.13278	0.7
153.93709	0.7
153.99191	0.5
158.05988	0.6
159.08102	0.5
159.11732	0.7
162.03165	0.6
163.03949	1.9
177.05464	32.3
177.08932	0.7
177.10312	0.7
177.12750	5.6
177.16403	2.3
186.05502	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.85628	0.6
59.26619	0.6
67.05502	3.9
69.07062	0.8
73.05797	0.7
79.05486	4.8
81.03394	0.8
81.07069	5.1
83.08573	1.0
86.04706	0.8
89.03921	11.0
91.05466	4.3
92.17857	0.8
93.07058	8.0
95.04951	1.2
95.08623	4.9
103.05479	1.4
105.07021	1.2
106.04202	0.9
107.08591	6.4
109.10172	1.0
117.03381	44.2
117.06991	1.7
119.08562	0.9
121.06518	1.1
121.10132	7.4
131.08553	1.8
133.10156	5.3
134.03630	1.6
135.04396	3.1
135.11705	3.6
135.92639	0.8
136.02187	1.2
136.05173	0.7
136.06181	3.4
136.07564	1.1
145.02855	100.0
149.02342	21.5
149.05992	21.3
149.07138	1.5
149.13246	3.8
153.93716	3.0
159.08032	0.8
159.11700	8.0
162.03104	1.5
163.03896	1.4
177.05466	37.1
177.09048	4.2
177.10373	1.4
177.12744	20.5
177.16393	7.0
185.07085	0.9
186.05511	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.89206	0.4
63.02375	0.6
69.48770	0.5
72.49107	0.4
75.23886	0.5
75.24994	0.4
77.32580	0.4
89.03919	9.8
91.05511	0.9
93.07011	0.5
106.04201	0.7
117.03386	43.1
125.02854	0.5
134.03638	3.9
135.04411	2.8
135.92647	0.6
145.02855	100.0
149.02365	4.6
149.05992	18.7
153.93665	0.9
158.06046	0.5
162.03120	0.8
163.03889	1.8
172.80280	0.5
177.05472	34.4
186.05521	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.53652	0.7
62.74450	0.8
69.03432	0.9
69.07063	0.7
70.50935	0.8
78.04721	0.9
88.07391	0.9
89.03923	11.4
91.05472	4.3
93.07029	0.8
94.90069	2.0
100.47645	0.8
100.48426	0.8
107.05006	1.0
107.08566	0.9
117.03381	44.4
121.10136	1.0
131.08591	1.5
134.03639	3.2
135.04445	4.5
135.92639	6.7
135.97081	1.0
136.02196	3.5
136.06198	1.2
136.07503	1.3
145.02853	100.0
149.02354	19.6
149.05989	18.8
153.93730	8.2
158.06096	1.0
163.03932	1.2
171.94716	1.0
177.05443	31.7
177.06883	1.1
177.09015	2.1
177.11438	2.9
177.12726	1.9
186.05498	2.0
195.87494	1.0
197.31107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.40356	0.4
53.94117	0.3
55.92111	0.4
60.84312	0.4
63.54446	0.4
67.05534	0.7
79.05499	0.9
81.07053	1.0
89.03924	10.5
91.05482	0.8
93.07073	2.9
95.08594	0.7
97.93941	0.4
103.05439	0.5
106.04189	0.6
107.04970	0.5
107.08581	0.8
109.10222	0.4
111.40001	0.4
113.60005	0.5
117.03383	43.6
121.06496	0.5
121.10159	3.5
134.03603	3.1
135.04437	2.2
135.11723	0.4
136.02162	0.4
136.06207	0.9
136.07576	0.4
138.26491	0.5
145.02850	100.0
149.02322	7.2
149.05991	21.5
153.93709	0.6
158.06009	0.6
163.03868	1.4
177.05455	31.5
177.10188	0.5
177.11447	0.6
177.12747	2.0
177.16327	3.4
186.05501	2.5
189.00905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.11427	0.9
56.59654	1.0
67.10441	0.9
68.52502	1.1
78.04681	1.4
82.99477	1.0
88.71002	0.9
89.03916	45.2
91.05474	2.6
103.05432	1.5
106.04153	1.5
117.03377	84.2
121.06456	1.9
134.03645	15.8
135.04430	20.2
145.02849	84.8
149.05983	69.8
162.03091	2.1
163.03889	53.7
177.05458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.15967	0.1
51.25597	0.1
54.62336	0.1
55.01868	0.1
63.17997	0.0
64.28892	0.1
65.53336	0.1
69.03413	0.3
78.04706	0.3
79.05515	0.2
81.07059	0.1
89.03918	1.2
89.25977	0.1
91.05476	2.0
93.07034	0.4
95.04420	0.1
95.04961	0.5
98.97574	0.3
103.05466	0.7
104.45248	0.1
105.04525	0.1
105.07012	0.3
106.04176	1.6
107.04963	0.2
109.61507	0.1
115.05450	0.9
116.06230	0.6
116.98631	0.2
117.03381	4.5
117.07018	5.7
119.04935	0.3
119.08611	0.1
121.06505	2.4
121.10132	0.3
129.06966	0.1
131.04921	0.5
131.08569	0.5
133.06490	0.9
134.03677	0.7
134.07272	0.9
135.04391	0.6
135.08051	1.0
144.05705	0.6
145.02852	9.4
145.06491	1.0
146.07176	0.1
147.04408	0.1
147.08058	0.3
149.02367	0.9
149.05983	6.0
149.09662	0.6
159.08070	0.2
159.11621	0.1
161.05908	0.3
162.03139	0.2
162.06764	6.5
163.03880	0.4
175.07544	0.3
177.05681	5.8
177.09103	100.0
186.05437	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.26908	0.1
61.02510	0.1
62.01625	0.1
63.02377	0.6
69.03467	0.1
72.08170	0.2
78.04716	0.7
89.03918	10.8
91.05462	1.0
93.07051	0.2
95.04974	0.1
98.97588	2.3
103.05491	0.7
105.03327	0.1
106.04167	0.9
111.76919	0.1
116.98647	1.0
117.03375	47.0
119.04982	0.2
121.06528	0.3
131.04907	0.2
134.03629	4.1
134.99612	0.2
135.04422	2.9
136.06247	0.2
145.02846	100.0
147.04402	0.3
147.69702	0.1
149.02364	0.5
149.05980	19.1
150.03090	0.2
158.05980	0.2
162.03076	0.8
163.03912	1.2
177.05457	27.6
177.12097	0.5
186.05487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08015	0.2
52.04281	0.2
53.35986	0.2
56.96416	0.2
63.02372	0.4
68.74350	0.2
70.33264	0.2
72.08140	0.2
75.98517	0.2
77.73560	0.2
82.30943	0.2
87.01521	0.2
89.03924	12.2
91.05505	1.0
98.97626	0.5
103.05457	0.5
106.04182	1.3
107.04969	0.2
116.98615	0.3
117.03380	46.4
121.06561	0.4
129.04428	0.2
133.02895	0.4
133.06491	1.6
134.03624	3.0
135.04437	2.5
145.02852	100.0
147.04401	0.4
147.86182	0.3
149.02345	1.4
149.05984	20.0
156.31424	0.2
162.03128	0.5
163.03917	1.8
177.05473	29.5
178.51698	0.2
181.06819	0.3
186.05563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.42585	0.3
55.05530	0.4
60.04541	1.8
61.65051	0.3
63.02380	0.4
63.25243	0.3
66.14356	0.3
69.03432	0.5
72.04535	1.6
73.47218	0.3
78.04713	0.4
80.05035	0.5
84.79015	0.3
89.03922	18.0
91.05500	1.7
93.07048	0.4
98.97596	4.5
103.05476	1.8
106.04176	1.5
116.98637	1.6
117.03380	51.9
119.04987	0.6
120.08093	0.6
121.02892	0.4
121.06509	1.9
131.01869	1.2
131.04916	2.2
132.04782	3.4
134.03632	5.9
134.99678	0.4
135.04413	8.5
145.02850	100.0
147.04358	0.4
149.02388	2.4
149.05983	30.4
159.04375	1.2
162.03113	6.8
163.03906	11.2
177.05460	56.1
177.10243	5.1
195.31116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	5.1
72.76707	0.2
80.14838	0.2
98.55149	0.2
98.97590	100.0
99.79841	0.2
99.97929	4.3
101.00925	0.3
110.44736	0.2
113.00877	2.0
114.98318	0.2
116.98624	53.0
117.98946	2.2
119.01939	1.2
121.01722	0.6
121.03500	0.2
130.58115	0.2
131.01913	5.7
134.99667	18.8
135.03123	1.3
136.00037	0.8
136.02487	0.5
139.49686	0.2
140.00229	0.4
149.02989	0.8
151.00638	0.2
152.26863	0.2
153.00754	1.7
153.04213	0.4
154.01082	0.2
154.03482	4.2
156.47800	0.3
158.01277	0.4
159.01750	0.2
165.17731	0.2
177.00795	1.5
177.04198	1.9
195.01813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1184
Annotation	Debrisoquin
Peak:m/z	Relative Intensity
52.28715	0.8
55.05503	4.6
56.05019	1.3
56.96578	0.9
57.28890	0.9
59.30683	1.0
60.05644	4.4
61.05346	0.9
61.75436	0.9
68.05008	1.9
70.06577	4.2
71.06914	4.6
72.08159	2.0
77.31138	0.9
79.28439	0.9
80.05023	4.7
81.09776	0.9
83.94811	0.9
84.05630	1.6
87.04451	0.9
91.05473	1.6
92.17852	1.2
95.06097	1.6
96.05618	8.6
97.07647	4.9
98.06065	1.5
98.97582	16.9
106.06528	2.0
106.08180	2.0
107.08571	3.7
109.07637	1.0
110.07164	1.6
110.09715	1.8
116.97263	12.0
116.98602	9.8
117.07421	2.1
118.06502	1.8
119.07280	1.2
120.08078	1.7
121.06370	5.0
122.07159	8.2
124.07384	2.4
131.58536	4.7
131.99538	2.3
132.08043	1.3
134.07152	5.1
134.09665	19.0
134.95895	1.5
134.99644	1.7
147.07887	1.6
147.09132	1.4
148.08711	1.3
148.11160	1.5
152.96939	5.1
157.97528	1.6
158.09648	5.5
159.09247	2.4
161.09453	2.0
175.98572	4.8
176.05701	1.7
176.07080	5.0
176.11842	100.0
176.37355	1.3
184.07999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91131	1.8
52.85711	2.1
53.82558	1.9
55.05516	4.0
56.96576	1.9
57.93570	2.7
60.05662	47.0
60.08163	20.7
61.05344	4.5
61.05992	4.1
63.86553	2.1
64.32797	2.2
67.05504	2.9
70.06599	66.6
71.04983	11.2
71.06139	2.7
71.06929	54.3
72.08165	29.8
73.08489	15.1
75.94575	2.9
78.06918	3.1
80.57890	2.3
84.05627	11.0
85.06545	37.1
85.23576	2.1
86.06075	3.0
88.07623	9.7
90.00575	2.5
96.05605	4.0
98.06057	11.9
98.97583	42.8
99.06373	11.7
112.10535	3.8
112.11228	25.4
114.09140	5.0
116.03445	4.1
116.07096	19.3
116.97237	42.9
116.98582	20.4
117.03828	4.0
117.07434	43.0
122.07094	2.2
127.08681	3.4
130.09723	4.7
130.12280	46.6
131.08377	2.5
131.10139	15.5
131.99536	9.8
132.08125	5.1
134.07124	5.0
134.09647	4.6
134.95825	11.5
139.08125	2.7
143.07335	9.6
144.13841	98.3
144.14941	4.4
148.07584	4.9
148.11238	15.3
152.96913	17.9
157.97470	3.2
158.08269	3.1
158.09673	22.4
158.11671	4.1
158.12881	44.8
159.08578	8.3
159.09613	8.9
161.08348	8.8
165.97192	2.5
175.98555	17.4
176.07027	21.7
176.10648	26.2
176.12064	47.1
176.13989	10.8
176.16458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1071
Annotation	4-Methoxymethyl-2-methylindole
Peak:m/z	Relative Intensity
55.79467	0.4
55.91751	0.4
62.88588	0.5
81.01675	0.4
86.86216	0.4
98.06062	0.4
98.97594	4.1
112.04669	0.9
113.67077	0.4
116.97245	0.9
116.98621	2.3
117.05763	0.9
117.07066	0.5
118.06572	0.6
120.08113	4.4
129.07056	0.8
130.06531	1.0
132.08105	7.6
141.06987	0.5
143.07314	100.0
144.08083	0.6
146.09695	0.5
148.07573	25.1
148.08694	0.9
148.11241	1.7
156.07991	0.7
157.08839	0.6
158.09656	99.1
161.08348	2.5
176.10709	57.6
190.55574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0708
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
51.17077	0.2
54.70845	0.2
55.90368	0.2
56.05426	0.2
56.55940	0.2
103.05459	0.4
107.47041	0.2
130.06535	100.0
148.02539	0.3
157.23192	0.2
176.05629	5.3
176.07101	7.6
176.10672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50338	1.7
53.58110	1.7
56.96574	2.9
60.05649	2.6
63.95237	1.6
64.39478	1.9
70.06586	13.8
71.06916	2.9
74.06102	1.9
78.55918	2.0
90.05566	2.2
98.97588	100.0
102.05553	10.4
104.07087	2.8
107.94408	2.0
112.08685	2.4
116.97240	39.3
116.98608	48.4
130.06517	20.1
130.12262	3.0
131.99525	7.5
132.08067	13.2
134.95831	6.7
134.99657	14.8
140.00223	3.8
143.07344	7.8
144.06573	9.4
146.05974	2.2
146.09673	2.5
148.07642	2.6
148.09709	3.3
148.11171	9.4
152.96924	16.8
156.96419	2.1
157.97623	2.4
158.01248	4.0
158.06027	8.4
158.09663	20.5
161.08337	4.4
175.98477	16.2
176.07143	12.7
176.09212	2.8
176.10687	37.8
176.12129	6.7
192.04922	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	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
52.91460	0.5
55.05516	4.1
60.05644	0.7
63.31970	0.5
67.05532	0.6
69.07082	8.4
78.32963	0.5
79.05501	1.1
81.07074	9.2
83.08611	2.8
91.05478	7.1
93.07036	3.6
95.08601	7.8
105.06389	1.1
105.07043	25.0
107.08599	6.0
113.58392	0.7
115.05441	0.8
116.07060	0.7
117.06991	1.1
119.08589	54.0
121.10136	0.9
128.78885	0.5
129.06990	0.8
131.08571	2.4
132.05682	0.8
132.09312	0.7
133.06505	0.7
133.10139	43.5
145.10201	0.9
146.10930	2.5
147.04358	0.5
147.08046	2.5
147.11713	13.5
147.17014	0.7
156.22957	0.7
157.10172	0.8
160.05205	3.1
160.12505	0.8
173.13266	1.3
175.07532	23.0
175.11238	4.4
175.14830	100.0
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	Ionene
Peak:m/z	Relative Intensity
53.41302	0.2
55.05521	2.4
57.07057	0.5
66.76154	0.3
67.05506	0.4
67.10336	0.2
69.07074	11.0
70.06562	0.3
74.59862	0.3
79.05467	0.4
81.07074	5.2
83.08627	3.5
91.05486	3.9
93.07034	1.8
94.92502	0.3
95.04934	0.3
95.08611	5.0
98.98634	0.3
105.07034	11.4
107.08604	3.8
115.05453	1.2
117.07026	1.0
119.08583	48.5
121.10128	1.5
129.06949	0.3
131.08553	1.8
132.66113	0.3
133.10135	48.7
142.07779	0.7
145.10132	2.4
146.10889	0.4
147.08040	1.5
147.11678	10.0
157.10115	1.2
159.11615	0.5
160.05205	2.1
160.08868	0.6
160.12425	2.8
173.13274	1.4
175.07552	8.7
175.11273	6.3
175.14819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	L-Arginine
Peak:m/z	Relative Intensity
55.77602	0.4
60.05659	57.3
60.86752	0.4
70.06597	100.0
70.99876	0.4
71.05009	0.4
72.08162	7.0
73.02899	0.4
84.08141	4.3
85.01389	0.8
92.17894	0.5
97.07676	0.7
98.06080	0.6
98.11308	0.3
99.44267	0.4
101.00896	5.7
102.00987	0.4
103.02451	3.4
112.08724	7.1
113.06272	0.4
113.07114	0.8
114.10286	2.2
115.02447	1.8
115.08706	0.9
116.07096	56.5
119.01922	10.2
120.02029	0.9
121.03495	1.4
125.02680	0.5
130.08691	1.6
130.09767	23.9
130.12347	1.6
131.01912	1.3
132.95824	0.5
133.03484	15.6
137.02969	0.8
141.06628	0.5
143.01913	2.3
143.03650	2.5
145.03453	5.1
151.04524	3.0
152.52570	0.4
157.03503	2.7
157.10800	2.9
158.08203	0.7
158.09245	17.4
161.02901	3.4
165.49426	0.4
175.03157	0.5
175.04524	27.3
175.11905	63.4
184.34755	0.4
193.05588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31789	0.7
51.82837	0.5
53.56798	0.6
58.82689	0.7
60.05654	55.6
64.04409	0.5
69.59351	0.7
69.70206	0.6
70.06593	100.0
72.08160	5.7
84.89999	0.7
93.91028	0.6
97.07664	1.1
112.08721	6.8
114.10258	0.8
115.08640	1.2
116.07088	52.1
126.70528	0.7
130.09764	22.8
148.30113	0.8
157.10797	3.0
158.09236	16.4
161.96552	0.6
175.11891	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67319	0.2
55.62592	0.2
57.03449	0.3
60.05354	0.3
60.05656	7.7
61.74883	0.2
67.43293	0.2
68.04997	0.2
68.99786	0.3
70.06593	17.3
72.08150	1.1
73.23306	0.2
73.43196	0.2
79.10383	0.2
79.79169	0.3
82.22659	0.2
89.06031	2.9
90.18371	0.2
92.97921	0.2
103.69518	0.2
112.08730	1.1
114.06275	0.3
114.56656	0.3
116.07088	7.3
120.47371	0.2
122.07867	1.0
123.57195	53.1
124.07359	0.4
124.16687	0.2
129.01820	0.3
130.09750	3.0
131.08362	100.0
131.58521	1.4
132.57747	0.3
132.95865	0.5
133.96048	1.0
139.00221	0.3
150.96854	0.4
151.97081	0.5
156.97714	0.4
157.10870	0.2
158.09232	2.1
160.07510	0.3
163.95641	0.2
175.11935	7.4
176.07005	0.3
177.07811	2.4
192.10219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
60.05364	0.4
60.05662	20.0
70.06601	37.9
70.95851	0.5
72.08163	2.7
72.93813	0.5
80.39318	0.3
84.08143	0.5
89.06036	2.5
91.05470	0.4
96.08119	0.5
97.07619	0.4
111.00771	0.5
112.08712	2.3
112.98788	2.3
114.10300	0.8
116.07101	19.7
116.07919	0.7
122.07793	0.5
123.57207	60.8
124.07407	0.5
130.09770	6.8
130.99788	0.5
131.08376	100.0
131.58525	2.0
132.95839	2.7
133.96008	3.1
137.14195	0.4
150.96907	2.8
151.97200	2.8
156.97690	3.3
158.09271	5.7
164.06990	0.4
174.98770	1.4
175.11954	18.6
175.39221	0.4
176.07034	0.7
177.07870	2.4
192.10274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
59.54478	0.3
60.05661	19.6
68.60988	0.3
70.06599	38.2
70.95879	0.3
71.95907	0.4
72.08143	2.2
83.49853	0.3
84.08089	0.3
89.06024	2.6
89.60118	0.3
112.08707	2.2
112.98543	0.6
114.10348	0.5
115.07044	0.5
115.08651	0.5
116.07092	17.7
122.07874	1.7
123.06812	0.4
123.57204	53.0
124.07314	0.4
130.09753	6.9
131.08371	100.0
131.58516	1.7
132.95871	0.8
133.96071	1.6
134.30658	0.4
150.96887	0.5
151.97116	1.5
156.97661	1.4
157.10851	0.6
158.09253	5.4
174.98779	0.7
175.11925	20.9
175.15298	1.4
176.07161	0.5
177.07855	2.5
192.10219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	5-Methoxy-1-naphthalenol
Peak:m/z	Relative Intensity
50.53878	0.3
55.05514	0.4
60.05658	0.6
69.25613	0.4
70.06599	1.8
72.08200	0.3
81.07076	0.7
91.05493	0.9
92.50439	0.4
95.08582	0.6
99.44061	0.4
103.05484	11.9
105.07031	1.0
116.07084	0.9
119.08578	4.3
131.04935	90.8
133.10117	3.1
141.61687	0.4
147.11691	0.6
175.07547	100.0
175.14825	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	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
54.17563	0.6
55.01871	1.6
69.03428	0.7
79.05470	0.7
82.53565	0.6
89.00620	0.7
91.05479	21.8
96.53098	0.7
103.05462	1.2
104.06229	3.8
105.07038	1.0
107.04980	6.1
108.23431	0.7
112.86838	0.7
115.05449	16.0
116.06181	0.8
117.07016	14.2
117.08823	1.0
119.08578	45.7
122.14543	0.8
128.06216	10.0
129.07002	15.1
132.05710	31.3
143.04904	3.8
145.06525	5.6
147.08051	48.2
155.06009	3.1
159.54135	0.8
160.05211	31.1
175.07538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01865	2.4
60.05639	2.9
66.34408	0.6
67.09135	0.6
68.23271	0.7
69.03440	1.1
70.06597	5.2
81.56728	0.6
83.25515	0.7
91.05484	20.7
103.05434	1.0
104.06288	4.4
105.03391	0.6
105.07033	1.3
107.04963	5.4
115.05441	12.3
116.07053	4.3
117.07007	12.6
119.08582	38.6
122.36692	0.6
128.06245	9.7
128.07129	0.9
129.07008	12.9
131.04921	1.1
132.04736	1.3
132.05707	27.5
133.10126	0.8
143.04938	1.5
145.06487	3.7
147.08040	39.9
155.06004	1.0
156.97598	0.8
157.06505	1.5
157.07690	0.6
159.48207	0.7
160.05196	26.0
175.07539	100.0
175.11870	3.4
175.14790	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	175.0156
Annotation	Phenolic phosphate
Peak:m/z	Relative Intensity
53.03948	5.3
60.05643	13.4
60.89320	1.9
63.37267	2.2
64.83594	2.0
70.06588	26.7
77.03918	2.8
85.02940	3.4
92.90419	10.0
95.04975	49.3
105.04517	15.7
105.07017	2.6
108.62453	2.6
115.96471	2.8
116.07078	14.2
116.97212	3.6
119.08588	4.2
130.09790	4.6
133.10149	4.5
133.93073	24.3
151.94069	41.6
157.10086	2.5
158.09232	2.2
175.01555	100.0
175.07558	9.9
175.11185	13.0
175.12148	6.7
175.14812	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	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
60.05645	0.3
67.59599	0.2
69.03442	0.2
70.06589	1.1
78.04716	0.3
91.05476	3.8
103.05424	0.3
104.06251	1.4
105.07047	0.9
107.04966	0.8
115.05465	6.4
116.07071	0.5
117.07018	5.1
119.08591	3.7
128.06206	0.5
129.06992	1.2
131.04947	0.5
132.05722	5.4
133.10098	1.2
143.04874	0.9
145.06485	0.4
147.08047	5.3
160.05191	15.9
175.07544	100.0
175.14659	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	174.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06855	0.3
53.90179	0.3
57.06834	0.5
57.07089	11.3
57.30568	0.4
58.06613	2.8
61.44022	0.4
62.05794	0.5
62.06098	12.3
69.75736	0.4
71.08634	10.6
71.37554	0.4
86.36385	0.4
88.13437	0.4
88.23479	0.4
92.18402	0.6
130.06502	0.4
131.07307	1.7
132.95837	0.8
133.06544	0.5
135.17702	0.4
142.18446	0.4
144.08044	0.6
147.34061	0.4
150.96962	0.6
156.17476	13.2
164.38147	0.4
174.09148	6.7
174.11481	1.4
174.18536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23003	0.2
55.90828	0.2
57.07088	10.9
58.06610	2.6
62.06101	13.1
71.08282	0.4
71.08642	9.7
76.03603	0.2
82.88016	0.3
92.17867	0.4
121.78848	0.3
145.93143	0.3
152.07135	0.3
156.17500	11.7
174.18544	100.0
186.79329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75716	0.4
57.06830	0.6
57.07084	10.3
57.39757	0.4
58.06621	2.9
59.26857	0.3
62.05801	0.6
62.06099	13.4
63.45080	0.4
67.02893	0.3
70.24294	0.3
71.08279	0.7
71.08635	12.1
77.49420	0.4
77.49902	0.4
125.41886	0.5
126.45896	0.4
130.06514	0.4
131.07341	0.7
132.95830	0.6
156.17482	12.2
174.09160	7.6
174.18538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20465	0.2
51.36623	0.2
57.06800	0.3
57.07083	10.6
58.06605	2.4
62.06097	12.9
70.45872	0.2
71.08633	10.5
74.08096	0.2
78.78275	0.2
79.24899	0.2
93.95563	0.2
106.50760	0.2
116.43746	0.2
124.15256	0.2
132.95819	0.4
146.08063	0.2
150.96913	0.3
156.17473	11.5
163.41039	0.3
174.07697	0.3
174.18529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1491
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
55.01887	0.6
55.05518	4.2
55.05729	0.3
56.05058	0.4
57.03453	2.1
57.07099	1.4
58.06628	0.3
67.05522	1.6
69.03454	0.4
69.07075	15.2
70.06594	0.3
70.95868	5.0
72.08179	0.3
72.93789	2.1
73.06607	0.4
79.05502	3.5
81.07058	4.9
82.18694	0.3
83.05007	2.4
83.08649	0.4
84.04498	0.3
88.96915	0.4
90.94839	0.5
93.07050	7.3
95.08614	5.1
97.02891	0.5
97.06544	3.3
97.10171	9.5
101.06026	1.1
102.54543	0.3
111.11742	2.7
111.98482	11.6
113.96410	1.1
114.05528	0.5
114.12810	1.2
115.11237	0.5
121.10144	7.6
122.69504	0.3
129.99509	3.0
131.97455	0.4
132.06554	0.3
132.08052	0.4
132.95844	19.5
138.12791	1.6
139.11179	5.3
146.05943	0.5
146.08113	1.3
147.67819	0.3
150.96890	16.1
155.97433	8.6
156.13844	100.0
173.98495	6.0
174.05420	0.4
174.07594	1.6
174.09148	1.9
174.14893	38.0
178.43086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1278
Annotation	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Peak:m/z	Relative Intensity
54.36506	0.6
57.03451	2.1
58.64890	0.7
70.95866	16.0
72.93788	6.1
76.01226	0.7
88.68327	0.7
88.96896	1.6
96.52440	0.8
111.98477	31.2
113.96392	1.4
118.06549	2.0
129.99510	6.4
130.06503	1.5
131.07349	1.5
132.08086	7.7
132.94858	1.7
132.95842	45.8
144.08054	3.9
145.08789	1.6
146.05923	1.2
146.08148	1.8
146.09645	7.2
150.95723	1.8
150.96884	40.8
151.10442	1.0
155.97415	21.0
159.10428	21.7
173.98502	15.9
174.07584	4.6
174.12766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.3
57.07086	13.2
62.00682	10.3
66.80471	0.7
70.98164	0.6
76.02215	0.9
81.04119	0.7
82.75568	0.7
82.96495	0.6
90.03772	3.1
98.37316	0.8
106.67461	0.8
118.06881	31.6
128.07074	1.7
132.06551	2.8
132.08459	8.7
146.08130	4.9
174.05463	1.2
174.07732	6.7
174.13118	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1279
Annotation	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Peak:m/z	Relative Intensity
51.82738	0.3
57.03448	0.5
57.07084	0.6
59.67712	0.3
60.69369	0.3
74.02715	0.4
87.55910	0.4
106.06541	1.4
117.05775	0.4
118.06562	6.6
130.06555	0.4
131.07288	0.8
132.08093	23.3
144.08066	2.7
145.08884	5.0
146.09637	1.6
155.17700	0.4
156.55159	0.4
158.09602	2.9
159.10434	5.7
174.12779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93527	1.2
57.03449	0.6
57.04576	3.3
58.06598	0.4
60.04529	0.3
60.05644	0.4
67.05497	0.4
68.05021	0.5
69.07083	0.3
70.06589	2.1
70.95869	23.8
71.06126	5.2
72.04519	1.3
72.93793	8.8
73.52106	0.3
74.47656	0.3
82.06586	0.5
86.06082	2.6
86.09700	3.9
87.04474	7.8
87.09550	0.4
87.10025	3.5
88.08755	1.3
88.74956	0.3
88.96913	3.6
90.94821	3.1
95.08604	0.4
98.07180	23.7
100.07603	0.7
100.11265	1.6
104.07119	3.8
110.09669	3.0
111.98482	52.4
113.96387	3.3
114.05547	2.3
114.09172	1.5
114.94797	2.0
115.08762	0.7
115.09492	2.3
118.01258	0.4
118.04993	0.5
118.08647	1.8
119.01955	0.5
128.07094	1.4
128.10724	20.6
129.99524	10.6
130.08665	0.4
131.97462	2.0
132.95839	100.0
133.10526	0.5
142.03482	0.5
142.09756	1.3
143.08199	1.4
150.96889	72.2
153.01149	0.4
155.97426	44.3
156.06552	0.4
156.10173	0.6
156.11357	1.5
157.11754	0.5
168.97975	0.8
173.98489	32.6
174.06197	0.3
174.07600	1.8
174.12399	35.2
174.14754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92805	1.2
53.54538	1.2
53.59830	1.2
54.28192	1.3
55.78989	1.3
57.03442	11.3
59.03159	1.5
66.09358	1.2
70.06599	1.4
70.95850	8.0
71.08641	1.6
72.93791	2.2
78.86279	1.3
86.06043	2.2
111.98492	15.1
113.96398	1.8
114.05513	5.5
118.06445	1.5
128.07066	3.0
129.99516	3.1
130.06511	14.6
131.07304	40.3
132.06548	1.7
132.08061	3.5
132.95831	25.8
133.06482	3.5
143.07285	8.1
144.08084	11.8
146.06018	3.5
146.08128	9.5
150.96904	29.2
155.97400	9.3
159.06868	1.9
159.09052	9.9
173.10698	3.5
173.98506	9.9
174.05518	24.7
174.07634	11.2
174.09125	100.0
174.11469	44.1
174.13019	2.1
174.18495	8.8
179.66800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.3
57.05814	2.4
64.04045	1.2
66.10684	1.0
80.81615	1.2
81.67361	1.1
82.06575	1.6
84.06429	1.1
95.21510	1.0
95.92757	1.1
109.91080	1.2
111.98447	1.8
117.05746	2.7
118.06542	1.6
130.06538	35.5
131.07323	90.5
132.08049	2.4
132.95822	6.0
143.07304	16.8
144.08098	26.4
150.96852	2.4
159.06761	1.4
159.09143	17.4
173.10738	12.7
174.07693	3.7
174.09190	56.9
174.11519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0914
Annotation	N17-Dimethylindole-3-carboxaldehyde
Peak:m/z	Relative Intensity
57.03436	1.6
59.25246	0.8
62.06070	1.5
64.90070	0.8
69.11968	0.9
70.95869	2.2
86.06083	0.8
97.66912	1.0
111.98453	5.3
128.07050	1.4
132.95836	10.4
133.06520	1.2
146.08040	1.8
146.09660	1.6
150.96875	10.8
155.97423	4.9
159.06755	4.5
173.98505	4.2
174.09135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05657	2.0
64.18327	0.2
68.05039	0.9
69.03429	0.2
70.06599	17.0
70.95875	0.9
71.04998	2.9
72.93791	0.2
77.07480	0.2
86.06077	1.0
88.07629	0.6
111.98494	2.2
112.08736	1.0
113.97168	0.2
114.05535	100.0
114.09161	0.7
114.11147	0.6
115.03939	1.5
115.09517	2.0
116.08999	0.3
128.07079	1.0
128.08209	0.9
128.10796	0.2
130.09793	0.3
132.95853	4.1
150.96892	2.0
155.97440	1.7
156.07692	0.2
157.11642	1.1
160.32298	0.2
173.98503	1.1
174.08751	10.4
174.11174	0.4
174.14265	1.3
179.06313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1398
Annotation	Acetylagmatine
Peak:m/z	Relative Intensity
52.00609	0.4
60.04534	0.8
60.05657	0.8
72.04518	7.1
72.08163	11.5
74.97466	0.4
80.15109	0.4
85.58226	0.5
98.06075	0.6
113.10779	34.1
114.09177	100.0
114.10283	3.6
115.08698	13.1
131.11812	5.5
152.28227	0.5
154.18727	0.5
156.11330	38.6
168.55287	0.5
173.13988	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18076	0.3
60.64172	0.3
66.14095	0.3
71.08634	6.5
72.08131	0.5
74.09719	28.7
84.04499	0.4
85.55006	0.3
85.75494	0.3
98.06092	0.4
99.08083	2.2
102.21829	0.4
106.64851	0.4
107.42926	0.4
109.10177	0.5
125.98164	0.3
127.01238	0.6
130.12186	0.3
141.00763	0.3
142.64816	0.3
144.08066	0.4
172.07536	1.4
172.09802	0.7
172.16954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76476	0.2
57.07084	6.9
68.74201	0.3
72.04517	2.0
74.08813	0.3
79.92970	0.3
85.04866	0.4
102.09160	3.1
109.10142	0.5
116.10724	2.2
126.09154	0.4
138.08925	0.4
172.16965	100.0
172.20616	3.7
188.11974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	5.1
60.04535	8.6
62.34493	0.9
74.09706	2.1
84.04509	1.3
88.05066	1.0
97.04901	1.2
102.68404	1.1
109.10155	1.4
111.94273	0.9
112.87994	1.1
116.10735	19.0
125.27670	0.9
130.15921	18.9
130.16800	1.9
131.05336	1.3
131.25684	1.2
148.97644	1.5
149.09106	1.2
156.82008	1.1
172.03383	1.1
172.07625	1.7
172.09636	1.3
172.16959	100.0
193.51109	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42571	0.5
54.67160	0.5
57.07090	7.7
59.74441	0.5
67.05520	0.6
69.07085	1.0
69.64370	0.5
71.04977	1.3
71.08626	3.3
74.06088	7.0
83.08615	0.7
84.04477	0.6
88.07639	20.3
88.11254	0.7
92.70535	0.6
102.09181	11.3
116.10727	3.5
127.01297	1.2
130.96442	0.7
167.28900	0.6
172.03406	0.7
172.07585	0.7
172.09727	1.2
172.16966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1335
Annotation	gabapentin
Peak:m/z	Relative Intensity
54.63821	0.8
55.01884	0.8
55.05510	1.3
57.03434	3.9
58.06595	2.0
61.45089	0.8
67.05512	26.5
69.07086	0.9
70.06588	0.9
71.08635	13.5
72.38761	0.7
81.07058	4.1
83.08622	3.6
84.04524	6.8
85.02913	56.1
85.04819	1.2
86.09695	1.5
87.04490	1.1
88.11275	100.0
91.05479	1.8
94.01506	0.8
95.08597	4.6
97.13708	0.8
98.06055	1.4
101.21300	0.9
102.05502	1.2
109.09402	1.6
109.10161	45.4
109.98940	1.2
110.66968	0.8
119.08566	3.2
126.09135	1.4
127.01247	2.0
130.96307	1.3
131.04933	1.5
137.09622	2.0
141.09831	0.9
144.08052	1.5
148.97438	1.8
153.97939	1.4
154.08585	1.0
154.15855	2.0
155.10719	6.1
172.03816	0.9
172.05135	1.8
172.07480	7.1
172.09726	3.3
172.10976	7.8
172.13341	31.5
172.17039	2.9
173.11758	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	172.1333
Annotation	gabapentin
Peak:m/z	Relative Intensity
50.55647	0.5
55.05518	3.9
56.78366	0.6
57.03439	0.8
57.07072	4.2
59.05006	3.6
59.16354	0.5
60.03968	0.5
61.08874	0.6
67.05512	54.9
71.04990	3.1
79.05474	0.7
81.07063	6.2
83.08630	7.0
83.37550	0.5
84.04496	0.7
85.02906	0.8
85.06525	2.4
89.71362	0.6
91.05473	2.7
93.07031	1.4
95.08600	5.2
107.08584	1.0
109.10165	100.0
111.08086	3.3
112.07566	0.7
113.07130	0.7
116.05303	0.9
119.08565	3.9
127.01223	0.8
137.09628	5.4
144.08087	1.1
148.02258	0.6
155.10687	10.1
155.11813	0.9
172.03378	0.7
172.06097	0.7
172.07544	2.7
172.09776	2.1
172.13289	3.0
173.11748	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.9
56.05051	0.9
57.03429	1.4
57.07082	0.9
59.05009	4.2
67.05517	58.7
68.08440	0.9
69.07069	1.3
70.06608	1.1
71.05000	1.7
81.07063	5.5
83.08634	8.0
84.04512	1.0
84.08186	1.0
85.06556	3.5
91.04645	1.0
91.05477	1.7
93.07040	1.1
95.08607	6.1
109.10166	100.0
110.44051	0.9
111.08089	3.4
119.08607	6.3
127.01216	1.2
131.60951	0.9
137.09633	4.5
144.08037	1.1
154.08664	1.0
155.10657	9.1
172.03418	1.3
172.07610	4.0
172.09729	2.1
172.11017	1.2
172.13370	2.2
172.16913	1.3
173.11743	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1333
Annotation	gabapentin
Peak:m/z	Relative Intensity
53.03952	0.5
55.01888	0.6
55.05529	3.2
56.05047	37.8
57.03437	0.9
57.07086	5.1
58.06591	0.7
64.11031	0.4
65.03932	0.6
67.05515	67.8
68.05019	1.0
69.03440	0.7
69.07076	17.3
70.06605	5.0
71.04982	3.0
72.04506	1.8
79.05495	0.8
80.05018	1.0
81.03414	2.2
81.07073	9.3
83.08633	0.7
84.08160	7.7
86.09736	0.5
90.51675	0.4
91.05489	12.3
93.07047	8.9
95.04975	2.7
95.08607	10.6
98.09710	3.5
99.04462	3.5
101.04247	0.6
104.91483	0.5
107.08582	2.4
108.08110	0.6
109.10167	71.4
109.98936	0.7
110.09692	12.5
111.08073	3.6
111.11745	3.1
112.07599	0.6
113.05966	0.8
114.98677	0.4
117.07026	0.5
117.82696	0.4
119.08587	17.7
125.09637	1.6
126.09126	0.5
126.12792	15.5
127.01274	0.7
130.96309	2.0
136.11220	13.5
137.09631	18.1
144.08099	2.1
148.97350	1.6
153.97897	0.8
154.12279	100.0
171.98944	0.5
172.07585	3.5
172.09723	1.7
172.13327	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	172.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69675	1.0
55.05508	1.4
55.53740	0.9
57.07088	100.0
59.99119	28.2
67.05513	24.1
69.07082	1.0
71.05007	1.7
72.04524	1.1
78.12769	1.0
78.95108	1.0
80.69987	0.9
81.07056	1.6
83.08625	1.8
84.04536	1.4
85.06544	1.1
86.09665	1.0
94.84798	0.9
95.08572	3.8
109.10168	33.1
111.09167	1.0
116.05324	23.7
119.08620	1.5
127.01286	1.3
127.31388	1.0
148.97694	2.1
155.10690	2.4
172.07547	2.0
172.09714	3.8
172.14407	1.4
173.11758	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	172.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	2.0
57.07087	100.0
59.99120	31.7
76.41868	1.9
80.58283	2.0
81.28309	1.9
84.04488	3.4
85.04861	2.2
98.06052	2.4
100.10422	2.4
116.05317	22.9
126.09149	2.5
127.01278	4.0
141.80954	2.3
144.78371	2.2
172.03374	3.8
172.07547	8.7
172.09695	8.8
172.11157	2.4
172.16980	3.1
180.00621	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	171.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	5.8
56.15568	0.5
72.04523	67.4
83.08179	0.9
83.08633	17.5
89.07160	83.6
97.97343	0.6
99.37419	0.6
116.01296	0.7
119.51315	0.6
156.09309	0.8
159.19873	0.6
171.08063	0.7
171.11768	2.8
171.14929	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	171.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
67.20493	0.9
69.07095	1.5
72.04514	2.5
75.34399	1.3
79.05470	1.3
81.07053	1.5
83.08624	1.1
84.04514	12.6
86.09732	1.4
89.07152	2.2
93.07047	1.6
93.58703	1.0
105.75659	1.1
107.08591	1.9
109.10116	1.5
111.04473	1.9
111.08106	2.0
125.09619	5.7
130.05013	10.3
135.08055	1.2
136.67351	1.1
139.03940	2.3
143.04910	1.8
143.05975	2.1
143.08566	1.2
153.09113	6.8
156.03682	1.2
163.21605	1.1
170.09683	2.6
171.09935	100.0
171.11465	4.3
171.14967	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	171.0653
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
50.19813	0.1
55.01873	0.9
55.05526	1.0
64.83428	0.1
65.03947	8.2
67.05508	1.2
68.99793	3.2
69.03407	0.6
71.04987	0.1
72.08150	0.2
81.03420	0.8
83.01315	0.2
83.04984	6.5
84.04512	0.5
86.09705	0.2
93.03407	6.6
93.72061	0.1
94.20992	0.1
95.00938	0.1
95.04932	0.2
96.02104	0.2
97.02902	1.0
97.06576	0.1
107.05024	0.1
109.02885	0.2
111.04444	59.6
115.03915	0.1
121.02890	1.1
121.03991	5.8
125.05996	0.2
127.03947	0.2
130.05029	0.4
134.05884	0.1
139.03903	100.0
140.04710	0.2
147.96883	0.2
153.05476	0.1
154.13684	0.1
156.03831	0.6
168.03485	0.1
171.06522	8.0
171.11368	0.5
171.15054	0.2
179.12950	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	170.1176
Annotation	L-3-cyclohex-2'-enylalanine
Peak:m/z	Relative Intensity
55.01872	4.7
55.05510	2.7
55.27598	2.8
55.66734	2.3
56.05034	18.2
67.05182	4.4
67.05515	100.0
70.06588	13.7
72.04510	3.8
79.05502	68.9
81.07061	40.0
82.06603	6.1
84.04517	7.2
84.08152	11.2
86.06091	2.9
91.05489	21.3
93.07050	79.6
93.16490	2.6
95.02473	4.0
95.08612	55.6
96.08152	3.4
98.09691	5.5
107.04949	45.2
107.08609	70.0
108.08090	2.9
109.06516	10.9
109.10155	51.3
110.05999	3.1
110.09691	20.5
117.07020	42.5
123.08089	5.8
124.07607	12.7
124.11232	41.0
125.01539	4.7
126.54238	4.1
128.07076	4.0
128.95103	12.8
134.09647	77.4
135.08060	98.4
138.02985	69.4
152.10709	70.7
160.38257	2.9
170.05626	3.3
170.08211	4.9
170.09557	5.0
170.11725	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0965
Annotation	Diphenylamine
Peak:m/z	Relative Intensity
65.03936	0.6
67.05495	0.3
70.06597	0.7
78.37888	0.3
80.05016	0.3
84.04486	0.4
87.74655	0.3
93.03439	0.4
93.07023	0.3
94.03738	0.4
96.03510	0.3
96.08111	0.6
97.01113	0.4
99.02667	1.9
109.05242	1.2
110.06031	1.4
112.04772	0.7
114.03751	1.2
122.08793	0.5
124.02184	1.1
124.07584	2.2
124.08640	0.4
125.00655	0.6
125.01537	2.6
126.06331	0.4
127.02106	0.6
128.95068	2.6
137.12050	0.3
142.03233	0.5
142.08635	0.6
146.96242	0.4
146.97435	0.5
152.01665	0.6
152.04271	0.6
152.07083	1.8
153.11017	1.3
154.06456	0.3
155.03339	0.4
168.08070	1.7
169.08868	2.0
170.02545	2.5
170.05887	2.4
170.09645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0964
Annotation	Diphenylamine
Peak:m/z	Relative Intensity
53.33189	0.3
53.39194	0.2
53.77648	0.2
56.97830	0.3
62.52236	0.4
75.92125	0.3
81.99989	0.3
115.07918	0.3
144.92381	0.4
145.36388	0.3
154.06467	0.4
170.09644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0965
Annotation	Diphenylamine
Peak:m/z	Relative Intensity
110.00635	0.5
111.34344	0.6
124.07675	0.6
125.01515	2.1
128.95079	3.1
145.12292	0.5
154.21545	0.5
170.03658	0.9
170.06007	3.5
170.09636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85409	0.2
61.66051	0.2
63.41491	0.2
114.33917	0.2
114.91306	0.2
121.00589	0.2
154.06485	0.3
170.09650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45639	0.3
59.91551	0.3
88.62045	0.3
125.01561	0.6
128.95123	0.5
131.83475	0.4
168.57843	0.4
168.71040	0.4
170.09647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0966
Annotation	Diphenylamine
Peak:m/z	Relative Intensity
52.59940	0.2
53.23832	0.2
56.31164	0.2
56.39635	0.2
67.05476	0.3
69.07067	0.5
102.78947	0.2
109.10168	0.4
124.07605	1.6
124.11214	1.2
125.01543	2.1
128.07104	0.4
128.95096	1.6
139.31969	0.2
140.10695	0.5
142.08636	0.4
146.96138	0.3
152.07121	0.5
152.10661	2.0
170.03787	0.8
170.09644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73612	0.4
78.94044	0.4
86.99432	0.4
95.99969	0.5
119.12354	0.4
128.95068	0.7
155.07391	0.7
162.83546	0.5
170.09645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0965
Annotation	Diphenylamine
Peak:m/z	Relative Intensity
67.57873	0.2
85.83709	0.3
100.48927	0.2
119.24427	0.2
128.95113	0.3
149.78017	0.2
152.43962	0.2
169.08748	0.3
170.09644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0966
Annotation	Diphenylamine
Peak:m/z	Relative Intensity
57.75181	0.2
66.97787	0.2
73.10423	0.2
78.46381	0.2
86.17928	0.2
95.83108	0.2
131.40392	0.2
154.06509	0.3
155.07208	0.3
169.08861	0.2
170.09650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77389	0.4
68.25448	0.4
72.08158	0.9
93.07028	0.7
95.50994	0.5
96.05312	0.5
114.97182	0.5
124.07581	1.8
125.01531	3.3
128.07079	0.7
128.95102	6.6
145.32520	0.5
146.96138	2.2
168.07797	0.5
170.03683	2.7
170.05927	3.3
170.08040	8.9
170.09631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31351	0.3
51.56652	0.3
58.06972	0.3
60.05639	1.4
66.00850	0.3
69.07071	1.2
70.49855	0.3
72.07880	0.3
72.08155	4.0
78.06870	1.1
78.59519	0.3
79.05488	0.5
81.07037	0.5
93.07027	0.4
107.57182	0.3
108.39020	0.3
114.10275	1.4
121.10144	0.6
122.10455	0.4
125.01592	0.5
125.05949	0.4
128.95074	0.4
131.12933	1.4
149.11784	0.5
149.61990	0.5
158.00146	0.3
170.09636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40575	0.4
58.75454	0.4
60.09304	0.4
64.47251	0.3
73.95403	0.4
128.95078	0.6
170.09654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0965
Annotation	Diphenylamine
Peak:m/z	Relative Intensity
50.10547	0.3
52.27319	0.3
52.88608	0.3
53.23838	0.3
58.61711	0.3
67.75513	0.3
69.07018	0.3
70.61659	0.3
81.44437	0.3
81.46117	0.3
86.19350	0.3
89.61944	0.3
109.61997	0.4
112.45090	0.4
124.07602	1.5
125.01527	2.8
128.07040	0.4
128.95093	2.2
135.59422	0.4
142.05833	0.6
146.96117	1.6
152.07092	0.5
155.03415	0.4
168.08025	0.3
170.03671	1.3
170.09639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23776	0.3
55.93520	0.7
70.34555	0.3
110.06089	0.3
111.04401	0.3
114.97176	0.5
124.07582	2.4
125.01578	3.9
128.07054	0.5
128.95087	8.1
128.97108	0.4
142.05737	1.1
142.08627	0.7
146.96129	3.4
146.97353	0.7
152.07071	1.7
170.03734	2.8
170.09636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94643	0.2
92.03838	0.2
106.49670	0.2
168.08118	0.4
169.08778	0.3
170.09642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03944	1.1
55.05520	6.2
57.03444	1.5
57.07081	4.4
59.91868	0.8
62.95723	0.6
65.03947	0.8
67.05516	40.1
69.03439	1.4
69.07085	12.3
70.48056	0.7
71.04993	5.1
71.08629	1.7
79.05499	5.3
81.03439	10.6
81.07070	100.0
83.04974	3.4
83.08636	5.0
85.06546	1.0
85.94592	0.9
86.94628	1.4
91.05474	1.2
93.07061	1.7
95.04992	13.8
95.08608	6.5
99.04464	4.4
104.95700	0.9
105.07052	3.1
105.62874	0.8
107.08604	3.3
109.02917	6.1
109.06547	6.9
109.10155	11.1
111.04440	1.3
113.06013	1.1
123.08060	1.4
123.11715	75.1
125.71173	0.9
126.03139	4.2
127.97209	1.6
128.07114	3.3
133.10156	3.6
141.05475	20.2
141.95253	1.0
143.64380	0.8
145.98358	0.9
151.07608	0.8
151.11191	9.8
169.05002	9.7
169.07626	2.7
169.09891	5.7
169.12210	5.7
184.83540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
55.05539	0.3
65.03951	0.5
68.00417	0.3
68.99796	3.1
69.73959	0.2
71.10251	0.3
77.76350	0.3
78.46120	0.3
80.23965	0.3
81.03432	6.5
83.04996	0.7
85.02930	0.4
95.04992	0.6
97.02900	0.4
98.03683	1.9
108.02109	0.4
109.02886	24.9
111.00809	7.2
111.04432	2.2
113.06039	0.4
121.33891	0.3
123.04433	0.4
124.01585	0.4
126.03136	21.8
127.03924	0.5
137.02415	0.4
141.05473	100.0
151.05031	0.6
154.02597	4.2
169.04965	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1383
Annotation	4-Epimyrtine
Peak:m/z	Relative Intensity
55.01878	0.5
55.05519	5.6
55.05735	0.7
56.05038	0.6
56.96568	4.8
57.03437	3.6
67.05511	11.9
67.42160	0.5
67.93562	2.7
69.07057	1.0
70.06596	49.8
79.05499	5.5
81.07064	32.0
83.04980	2.6
85.06548	0.6
85.94604	5.4
86.51830	0.6
91.05484	32.8
91.06054	1.1
93.07073	4.7
94.06585	0.9
95.04965	2.5
95.08608	1.3
97.02880	0.9
103.95641	2.4
105.07024	5.2
107.08624	5.4
109.06536	9.6
109.10146	3.2
121.10113	0.7
122.05994	0.9
122.09677	4.4
122.10456	0.9
123.11691	8.1
126.05502	1.1
126.97212	6.6
127.03915	2.5
133.10146	4.6
135.07983	0.8
138.09088	0.6
139.11201	0.8
140.95140	3.4
144.98271	2.5
146.97389	1.0
150.05458	1.0
150.09103	0.8
150.12790	5.7
151.11189	15.4
162.96754	0.5
167.21373	0.6
168.06467	2.6
168.07634	4.2
168.10168	3.1
168.13837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68931	0.2
58.06606	0.8
59.87067	0.2
65.03951	0.3
67.05516	1.0
70.06592	2.9
73.02925	0.2
78.55299	0.2
79.05507	0.4
81.04556	0.9
82.04859	0.3
82.06601	0.2
82.94843	0.3
83.00127	0.2
84.04501	0.3
84.08150	2.6
85.94620	0.3
86.11997	0.2
90.72308	0.2
94.06567	5.2
95.06099	0.2
96.04488	1.1
96.06854	2.0
96.08150	0.2
100.02457	0.2
106.06564	1.8
108.02432	0.2
108.04419	0.2
109.07637	2.5
110.06081	0.2
115.57484	0.3
121.01664	0.3
122.04788	0.2
122.05138	0.2
122.06032	4.5
122.06916	0.3
122.07877	0.2
122.09663	0.3
123.05532	0.3
123.06743	0.4
123.07526	0.8
123.08631	2.3
123.57201	23.6
124.03950	1.2
124.07356	0.8
125.07101	0.2
126.05485	0.2
126.97156	0.3
131.08365	45.3
131.58546	1.5
138.05507	0.4
140.07056	0.3
140.09236	0.3
140.10167	1.1
142.55881	0.4
144.95862	0.8
145.03520	1.5
150.05507	100.0
151.05040	0.3
151.06198	0.8
152.08202	0.2
153.08972	46.7
160.59059	0.3
168.05093	1.6
168.06491	14.2
168.10051	2.8
168.11327	20.7
168.13861	0.7
168.14957	11.9
176.07123	0.3
177.07840	1.3
179.73616	0.2
183.00008	0.2
186.04416	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06621	0.3
67.05518	0.2
67.93576	0.4
70.06602	3.7
73.02924	0.3
78.96774	0.4
80.05048	0.3
82.06599	0.3
82.94856	0.2
84.08160	1.4
85.94618	1.2
86.22539	0.2
94.06572	1.6
96.04493	0.8
96.08178	0.3
97.02888	0.2
103.95658	0.3
106.06535	0.3
109.02869	0.2
109.07650	1.0
114.06322	0.4
114.56682	0.3
115.57502	1.8
117.06837	0.3
121.01683	0.3
122.06039	2.5
122.06904	0.3
122.07872	1.4
122.46369	0.2
123.06844	0.5
123.07754	0.4
123.08641	11.7
123.57204	51.8
123.97422	0.3
124.03989	0.3
124.07373	1.1
126.05536	0.4
126.97221	1.8
128.96365	0.2
131.08371	100.0
131.58516	1.4
140.07030	0.4
140.95142	0.4
144.95850	1.2
144.98257	0.5
145.03525	0.9
150.05515	30.9
151.07521	0.9
153.08958	2.8
160.07579	0.3
160.58994	0.3
162.97000	0.3
168.05151	1.5
168.06432	6.8
168.07524	0.8
168.10109	3.2
168.11404	2.5
168.13693	0.5
168.14967	6.1
175.82912	0.2
176.07094	0.9
177.07854	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	168.0881
Annotation	N-Cyclopropylammeline
Peak:m/z	Relative Intensity
55.20338	0.2
56.05047	1.4
56.17542	0.3
58.06610	9.6
59.76480	0.3
67.93571	0.4
69.00924	2.4
70.06570	0.5
79.43330	0.3
83.06108	5.3
84.04507	3.8
85.05158	6.4
85.94609	0.5
86.03558	37.6
94.06559	2.6
98.06053	0.4
99.90514	0.3
100.08746	0.7
102.05537	2.3
106.06599	0.4
109.04007	8.7
109.07657	0.5
109.08486	0.3
111.03059	1.2
121.01672	0.4
122.06045	3.2
123.57184	6.2
125.08206	0.6
126.06639	50.9
126.97211	1.3
128.05716	0.5
131.08365	15.0
140.05646	0.7
140.95087	0.6
144.03212	0.5
144.95807	1.5
145.03500	2.9
150.05505	38.8
151.06200	0.7
153.08936	3.0
162.96938	0.6
168.06714	5.9
168.08801	100.0
168.10027	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	168.0657
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
65.42201	0.2
67.05508	0.6
67.93560	0.3
70.06586	1.1
71.00322	0.3
74.29340	0.2
82.94850	0.6
85.33626	0.3
85.94610	0.7
94.06560	4.7
95.83948	0.3
96.04483	0.4
96.06854	0.3
96.93935	0.3
103.95673	0.4
106.06558	2.6
109.07661	1.0
121.01652	0.4
122.06028	6.4
123.08652	0.3
123.57198	16.6
123.97462	0.6
126.05579	0.3
126.97230	2.0
131.08371	34.3
136.04869	0.3
140.07039	0.4
140.95149	1.7
144.94801	0.4
144.95862	1.3
144.98329	0.4
145.03535	1.9
146.97363	0.3
150.05510	100.0
153.08980	8.7
162.95830	0.4
168.05113	1.2
168.06491	10.9
168.08949	0.4
168.10066	2.3
168.11388	3.2
168.15007	0.3
177.07907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.85785	0.2
53.00332	0.2
53.03956	0.3
55.01887	0.5
55.05532	2.2
55.20123	0.2
57.03444	1.5
57.07084	0.9
58.01613	0.2
59.05006	0.4
60.05651	0.9
67.05516	2.1
67.43832	0.2
69.03444	1.0
69.07083	1.3
72.08167	3.2
75.04489	2.4
75.80352	0.2
77.03935	0.2
79.05506	9.8
81.07073	13.3
83.04985	0.5
85.06576	0.3
91.05489	5.5
93.07054	75.2
95.04983	2.5
95.08618	4.9
97.02909	1.0
97.06538	3.2
100.83192	0.2
103.05453	0.3
105.04537	0.9
105.07044	7.5
107.04983	1.4
107.08600	3.6
107.63269	0.3
109.06535	1.1
111.04436	1.1
111.08093	23.4
113.33529	0.2
114.10329	0.6
119.08603	1.5
121.01673	0.5
121.06536	3.8
121.10153	100.0
123.08085	4.1
123.11718	7.0
125.05990	4.3
125.09644	0.4
126.11532	0.4
129.06999	0.4
131.08569	4.3
131.12929	0.9
133.07623	1.3
139.11192	11.1
144.03276	0.5
149.09639	15.1
160.04294	0.3
162.72032	0.2
167.07033	4.0
167.08308	0.4
167.10678	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	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03948	0.9
55.05511	2.0
57.03441	3.4
57.07087	8.8
62.30414	0.8
62.53735	0.8
65.03950	1.3
67.01318	0.8
67.05508	13.0
69.03422	3.0
69.07063	3.9
71.04943	1.3
75.75417	0.8
79.05067	1.5
79.05502	32.8
81.07064	48.0
83.04984	7.3
91.05470	4.0
93.03371	1.9
93.07050	50.9
95.04974	7.3
95.08613	17.7
97.06535	16.7
105.07030	12.0
107.04958	5.9
107.08595	7.8
108.04463	0.8
109.06526	10.1
111.04454	21.1
111.08103	1.9
119.08620	1.6
119.95155	0.8
121.06509	3.5
121.10148	100.0
123.04404	1.4
123.08073	4.7
123.11696	8.5
125.05994	33.7
126.58051	0.8
131.08572	5.4
133.07617	1.6
139.11192	18.6
149.09624	17.5
157.54863	0.8
167.07066	11.1
167.10674	57.5
182.37027	0.8
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
53.03936	1.0
53.15651	0.6
54.34495	0.7
55.05505	3.3
57.03450	5.0
57.06874	0.6
57.07084	9.4
64.83701	0.7
65.03948	0.7
67.05515	14.1
68.59904	0.7
69.03429	0.9
69.07067	5.0
79.05502	33.8
81.07067	48.3
83.04984	7.4
91.05465	4.4
92.70110	0.8
93.03408	2.6
93.07055	44.7
95.04974	5.6
95.08614	17.5
97.06540	16.4
97.10159	0.7
105.07050	10.9
106.07796	1.0
107.04978	7.0
107.08609	7.4
109.06528	8.0
111.03752	1.2
111.04451	18.4
111.08065	1.2
112.16647	0.7
116.06300	0.8
119.08560	2.9
121.06512	3.1
121.10149	100.0
123.08084	5.8
123.11720	9.6
123.80814	0.7
125.05997	31.1
125.09572	1.0
131.08560	5.4
133.07599	0.9
139.11197	18.2
149.09636	17.2
149.10771	1.3
167.07043	7.2
167.10672	60.5
188.96230	0.8
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
51.01391	0.2
53.03961	0.5
55.01877	1.8
55.05522	0.5
67.05515	1.1
69.03442	0.4
69.07072	0.5
77.03917	0.3
78.04727	1.8
79.05503	6.9
81.07076	1.7
83.04990	1.0
84.93845	0.4
84.96027	0.2
91.05483	5.8
93.07050	84.4
95.04979	3.1
95.08626	0.4
97.06519	1.1
105.04515	0.4
105.07031	4.5
106.04163	1.5
107.04951	2.2
107.08605	2.2
111.08086	2.4
113.89315	0.3
119.08580	0.6
121.01675	0.5
121.10149	100.0
122.03623	0.5
123.04419	5.7
123.08041	2.0
124.05231	2.7
125.96410	0.5
131.08598	1.3
134.03615	0.4
137.06024	0.3
139.11241	1.8
139.12131	0.3
144.03256	1.0
149.09630	27.2
151.03958	0.9
152.04697	2.2
167.07040	55.3
167.10666	6.8
176.67465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.69438	1.0
55.05515	5.0
57.03444	1.9
57.07085	12.5
65.03918	2.3
67.05516	15.7
69.07063	7.5
71.05017	1.5
72.08147	5.7
79.05062	2.6
79.05501	45.6
81.06608	2.6
81.07066	55.3
83.04976	9.8
84.06892	9.6
84.08147	2.3
85.02876	1.4
91.05487	6.0
93.03408	3.3
93.07044	55.5
95.04974	13.6
95.08615	19.0
97.06540	22.4
102.45408	1.4
103.00648	2.3
105.07043	5.7
107.04956	13.4
107.08607	21.8
109.06522	20.6
111.04445	32.6
111.08049	2.0
121.02833	2.9
121.06499	7.3
121.10147	93.7
121.73487	1.5
122.14618	1.5
123.08048	1.9
123.11694	7.7
125.06001	51.6
125.09595	1.6
126.11522	15.6
131.08557	5.0
139.11174	13.7
144.03247	6.0
149.02376	2.7
149.05939	2.4
149.09641	26.2
150.10223	1.8
167.07043	33.9
167.08411	2.8
167.10681	100.0
167.15475	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	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03965	0.5
55.05526	0.4
55.84702	0.2
67.05524	0.5
69.01797	0.3
72.40925	0.3
72.72704	0.2
72.85297	0.3
77.03936	0.6
78.04725	3.9
79.05504	8.3
81.07056	1.5
82.49668	0.2
83.04975	0.4
90.29313	0.3
91.05484	6.3
93.07050	100.0
95.04966	3.9
96.05784	0.4
105.04530	0.6
105.07037	5.3
106.04178	3.3
106.07822	0.4
107.04962	3.4
107.08619	1.6
109.06579	0.4
111.08096	1.4
117.49675	0.3
119.08600	1.5
121.10149	90.8
122.03658	0.7
123.04438	10.4
123.05260	0.5
123.08097	1.5
124.05219	4.4
133.07652	0.7
134.03644	1.2
139.07597	0.3
149.09622	22.0
151.03879	1.5
152.04678	4.0
160.66801	0.3
167.07042	84.0
167.10648	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	167.1041
Annotation	Cyromazine
Peak:m/z	Relative Intensity
56.05030	0.5
58.06590	1.3
60.05658	7.8
64.78831	0.2
68.02502	1.2
74.85996	0.3
83.06116	3.2
85.05158	13.5
95.43864	0.3
108.05588	2.4
109.61505	0.2
119.54109	0.2
123.08628	0.3
125.08234	8.3
129.49701	0.2
139.07359	1.6
140.09341	0.5
150.07745	0.3
167.10403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0856
Annotation	Phenalene
Peak:m/z	Relative Intensity
55.68980	0.2
74.14382	0.2
79.05473	0.4
87.46970	0.2
93.07057	0.5
102.04674	0.2
107.04942	0.4
107.08578	0.9
121.01653	0.3
121.10111	0.5
123.04430	1.9
124.05186	0.8
125.96449	0.2
128.06332	0.3
134.03665	0.3
143.96701	0.3
144.03275	0.3
152.06213	14.1
165.07001	16.1
166.07796	5.8
167.07057	17.0
167.08537	100.0
169.06496	0.4
183.96844	0.2
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	ISOPEONOL
Peak:m/z	Relative Intensity
51.20596	0.2
57.97800	0.2
60.06452	0.2
67.05513	0.3
69.07084	0.2
73.38274	0.2
74.26971	0.2
78.04726	3.4
79.05489	2.4
81.07059	0.5
91.05481	0.3
93.07039	0.4
95.04965	1.3
97.06518	0.2
105.03416	0.2
106.04193	2.7
107.04971	2.8
107.08588	1.3
121.01688	0.2
121.10128	0.9
122.03685	0.4
123.04436	11.1
123.08041	0.3
124.05223	4.0
125.05985	0.2
127.93542	0.2
134.03654	1.3
135.04404	0.4
135.06549	0.3
137.05948	0.5
137.43329	0.2
139.07532	0.4
144.03229	0.3
149.09714	0.3
151.03911	2.0
152.04692	3.1
167.07042	100.0
168.04152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	4-Methoxyphenylacetic acid
Peak:m/z	Relative Intensity
55.01883	21.5
56.15174	0.2
56.78344	0.2
67.05502	0.3
67.27731	0.2
70.83395	0.2
76.22699	0.2
77.03932	0.3
78.04709	0.4
79.05510	2.1
81.07063	0.3
91.05473	1.4
93.07047	5.2
95.04972	1.5
95.08622	0.4
97.06535	0.3
103.05505	1.6
105.04500	0.3
105.07011	0.4
106.04162	0.2
107.04961	74.6
107.08595	3.1
109.06525	0.5
120.08074	0.3
121.06506	100.0
121.10098	3.3
123.04440	2.1
123.08096	0.3
124.05215	1.2
125.09673	0.3
134.03653	0.3
135.04366	0.3
137.05927	0.3
139.07599	0.4
139.11227	0.2
144.03259	0.3
149.05983	23.6
149.09604	2.0
151.03905	0.2
152.04634	0.5
167.07036	20.0
167.10658	1.3
170.96010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74233	0.2
53.69822	0.2
55.05521	0.4
57.03437	0.4
65.03957	0.3
67.05512	0.5
69.07064	0.3
70.20362	0.3
78.04720	3.8
78.98212	0.3
79.05503	3.7
81.07059	1.4
83.05016	0.4
84.93853	0.3
84.96014	0.4
91.05454	0.4
93.03435	0.3
93.07037	3.3
95.04964	2.3
95.08602	0.5
97.06519	0.6
105.07034	0.5
106.04162	2.9
107.04964	4.5
107.08587	5.2
107.11665	0.3
109.06522	0.7
111.04512	0.4
111.08030	0.3
121.01669	1.5
121.06484	1.6
121.08428	1.8
121.10132	4.8
122.03651	0.5
123.04430	11.2
123.08719	2.0
124.05207	4.2
125.05985	0.7
125.96399	0.4
131.08588	0.3
134.03627	1.2
135.04430	0.6
137.05980	1.1
139.07562	0.5
139.11156	0.5
144.03261	2.4
148.22217	0.3
149.02322	0.6
149.05989	0.4
149.09581	2.4
151.03905	1.9
152.04723	3.6
167.07030	100.0
167.10397	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	167.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89294	0.2
56.84679	0.2
57.91199	0.2
58.26681	0.2
61.39801	0.3
63.15132	0.3
66.04713	0.4
70.56213	0.3
74.96839	0.3
78.04720	3.7
79.05500	2.3
81.07066	0.3
87.42381	0.2
92.13287	0.3
95.04969	0.6
96.05712	0.3
100.90781	0.2
106.04194	3.7
107.04956	2.5
109.62059	0.2
115.11779	0.2
115.12707	0.2
122.03666	1.1
123.04432	10.9
124.05211	3.6
124.13324	0.3
134.03619	1.1
134.63014	0.2
137.05981	1.0
151.03911	1.8
152.04694	4.0
167.07037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0706
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.68653	0.2
55.01890	0.3
65.03942	0.4
67.05521	0.2
70.06594	1.0
75.41225	0.3
77.00745	0.2
77.03949	0.2
78.04733	3.2
79.05504	2.7
81.07076	0.4
84.09804	0.2
89.06048	1.0
89.85487	0.2
91.05489	0.6
93.07039	1.1
95.04986	1.7
103.00643	0.9
103.05486	0.4
106.04183	3.5
106.86586	0.3
107.04981	3.1
107.06090	4.1
107.08613	0.5
109.06512	0.4
114.20886	0.2
115.57475	4.4
120.08099	1.4
121.01694	2.0
121.06544	1.7
121.08454	11.0
121.10080	0.4
122.03672	0.9
123.04437	10.1
123.08639	33.8
124.05236	3.4
126.02228	0.3
131.04886	0.4
134.03641	1.2
135.04433	0.5
135.05528	1.5
137.06007	2.2
139.07573	0.5
139.08661	0.3
144.03255	2.3
144.12514	0.2
149.05969	1.5
149.09653	0.3
151.03902	2.1
152.04691	4.1
156.99785	0.3
167.07045	100.0
168.04149	0.3
176.10698	0.4
180.37405	0.3
182.97438	0.2
184.92177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
52.46231	0.3
57.50319	0.3
68.07968	0.4
78.04714	4.0
79.05499	3.2
81.07053	0.5
84.93797	0.4
84.96038	0.7
92.18439	0.5
95.04970	0.7
96.05742	0.4
99.51501	0.3
100.63070	0.4
103.00621	0.4
106.04202	2.8
107.04961	3.8
107.08607	0.6
109.02867	0.4
109.06539	0.5
113.04166	0.4
121.01671	0.8
121.08435	1.4
123.04426	12.1
124.05235	4.1
125.06026	0.8
125.96385	0.5
134.03616	0.8
137.06017	0.9
139.98619	0.4
144.03238	1.5
151.03899	2.1
152.04691	4.2
167.07034	100.0
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	ISOPEONOL
Peak:m/z	Relative Intensity
52.38346	0.2
55.01894	1.3
59.95747	0.2
67.05505	0.5
69.07059	0.3
73.52880	0.2
78.04720	3.1
79.05504	3.2
81.07059	1.1
82.22591	0.2
83.04991	1.3
84.93819	0.2
84.96057	0.2
85.02889	0.2
91.05463	0.4
93.07046	2.6
95.04974	1.4
95.08617	0.3
97.06535	0.9
102.94860	0.2
103.00630	0.3
105.03385	0.2
105.04506	0.2
105.07072	0.3
106.04181	2.5
107.04963	3.7
107.08588	2.8
109.06557	0.4
109.10168	0.3
111.02091	0.4
111.08090	0.2
121.01691	1.3
121.06499	0.5
121.08429	0.2
121.10147	3.6
122.03660	0.7
123.04434	9.8
124.05213	4.2
125.05974	0.4
125.95461	0.2
125.96423	0.9
131.08583	0.8
134.03615	1.4
137.05997	0.4
138.03177	0.2
139.03902	0.2
139.07538	0.3
139.11174	1.4
143.96698	0.3
144.03258	1.3
149.02367	0.3
149.06013	0.3
149.07127	0.2
149.09645	1.6
151.03909	1.8
152.04691	3.7
152.06010	0.3
153.44455	0.2
156.13861	0.2
162.04276	0.4
165.06870	0.3
167.07047	100.0
167.08374	4.3
167.10477	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	167.0704
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
54.06561	0.2
56.62367	0.2
78.04716	4.2
79.05491	2.2
81.07034	0.4
91.05498	0.2
94.04221	0.2
95.04972	0.4
96.05724	0.3
106.04180	3.3
106.81767	0.2
107.04957	2.5
111.08048	0.2
122.03646	0.8
123.04427	11.0
124.05220	4.3
134.03639	1.4
135.04451	0.3
137.05994	1.2
151.03915	1.9
152.04686	3.8
164.06927	0.2
167.07033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
53.03958	0.3
55.01867	0.6
55.05500	0.7
56.22600	0.3
57.03450	0.4
60.05646	0.8
67.05493	0.7
69.03417	0.5
69.07059	0.7
72.08153	0.7
78.04714	3.6
79.05504	7.7
81.03432	0.5
81.07053	2.3
83.04974	0.8
84.73399	0.3
84.93823	0.4
84.96011	0.6
85.05164	0.8
91.05476	1.5
92.18417	0.4
93.07055	6.9
95.04963	1.7
95.08609	2.0
97.06522	1.4
102.02243	0.4
102.94859	0.5
103.00619	1.4
103.05450	0.6
105.07023	2.6
106.04193	3.6
107.04952	3.6
107.07873	0.7
107.08604	17.2
109.06532	2.5
111.04472	0.6
111.08067	0.6
114.33972	0.4
120.08089	0.5
121.01638	4.3
121.06491	4.5
121.08435	5.7
121.09297	0.7
121.10149	9.3
122.03632	1.5
123.04436	10.5
123.08070	1.5
123.11674	0.5
124.05209	4.2
125.05982	1.5
125.08250	0.5
125.09638	0.7
125.96410	0.7
131.04912	0.5
131.08557	0.8
134.03674	0.5
135.04430	0.4
137.05978	1.6
139.04039	0.4
139.07506	1.6
139.11194	1.8
144.03262	5.4
149.02347	0.8
149.06020	2.4
149.09622	6.5
150.12749	0.5
151.03914	0.8
152.04674	3.8
154.80399	0.4
162.04263	0.7
167.07039	100.0
167.10454	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	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.15642	0.4
70.81287	0.4
78.04729	4.3
79.05496	2.9
81.07053	0.9
84.93812	1.0
84.96035	4.6
91.05508	0.5
91.48169	0.8
93.07021	0.8
95.04934	0.5
102.02227	2.1
102.94842	3.1
102.98984	0.8
103.00669	1.5
106.04177	2.9
107.04953	3.5
107.08593	1.0
109.06521	0.6
111.99496	0.8
120.02017	0.6
121.01678	6.5
121.08424	0.6
121.10123	2.1
122.03639	0.4
123.04428	11.1
124.05219	4.5
125.05962	0.7
125.95589	0.5
125.96423	3.6
126.02157	0.6
134.03651	0.8
135.04413	1.9
139.02707	1.0
143.96588	3.2
144.03191	5.7
149.02428	0.6
149.07060	0.8
149.09576	0.5
151.03940	1.7
152.04686	3.8
161.85204	0.5
162.04366	0.9
167.07037	100.0
167.08168	3.8
167.10608	2.4
167.15448	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	167.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.2
55.14257	0.3
55.14543	0.3
64.56381	0.3
65.65908	0.2
78.04718	4.0
79.05489	1.7
81.07043	0.5
93.23269	0.3
95.04945	0.3
98.34214	0.3
105.03384	0.3
106.04181	4.1
107.04971	2.1
122.03643	0.6
123.04433	10.8
124.05209	3.6
134.03656	1.2
135.04378	0.4
137.06009	0.4
139.07590	0.4
151.03918	2.3
152.04686	4.6
167.07037	100.0
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	ISOPEONOL
Peak:m/z	Relative Intensity
55.01875	0.2
58.60007	0.2
59.19541	0.2
64.11298	0.2
67.05466	0.3
78.04716	4.0
79.05505	2.4
81.07049	0.3
91.05461	0.3
93.07047	0.4
95.04965	0.4
96.05772	0.5
105.77927	0.2
106.04185	3.3
107.04958	3.4
107.08592	0.7
109.06519	0.4
111.04488	0.2
111.08052	0.4
120.11464	0.2
121.02871	0.2
121.06510	0.8
121.08430	0.9
121.10164	1.3
122.03617	0.8
123.04432	10.4
124.05213	4.1
134.03589	0.9
135.04411	0.5
137.05983	1.0
139.07538	0.3
149.09567	0.7
150.83389	0.2
151.03926	2.3
152.04698	3.8
167.07040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
53.95086	0.2
57.35674	0.3
62.11761	0.3
69.30372	0.3
75.26480	0.3
77.03967	0.5
78.04726	4.3
79.05501	2.2
91.05479	0.4
93.07049	8.9
95.04965	0.6
102.93164	0.3
106.04185	4.1
107.04961	2.5
121.06499	0.4
121.10138	6.4
122.03667	1.3
123.04433	12.1
124.05208	4.5
134.03612	1.8
135.04393	0.5
137.05038	0.3
137.06010	1.2
148.41772	0.3
149.09604	1.5
151.03896	2.3
152.04680	4.9
155.39665	0.4
167.07039	100.0
179.76584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65918	0.3
75.24873	0.3
78.04711	3.5
79.05499	2.8
82.07203	0.3
88.29404	0.3
92.18507	0.3
95.04958	1.3
96.05733	0.5
99.04433	0.3
106.04183	2.8
107.04966	2.4
121.06439	0.3
122.03612	0.5
123.04428	10.8
123.05263	0.6
124.05215	3.4
134.03650	1.4
137.06010	1.1
151.03899	1.5
152.04668	3.8
167.07033	100.0
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	Apocynin
Peak:m/z	Relative Intensity
52.01609	0.2
53.03949	0.4
55.01857	0.3
59.75653	0.2
60.71738	0.2
67.05491	0.6
69.38863	0.2
70.06583	0.4
71.05015	0.4
73.39242	0.3
78.04712	3.2
78.98387	0.2
79.05497	2.9
81.03420	0.5
81.07069	0.6
84.93835	0.5
84.96012	0.5
85.06532	0.4
89.06009	0.3
91.05470	0.5
93.07043	2.4
95.04964	1.5
97.06499	0.4
102.02266	0.3
102.94866	0.5
103.00633	1.2
103.05462	1.1
105.04493	0.3
106.04165	3.0
107.04967	4.1
107.08622	2.1
109.02870	0.3
109.06476	0.6
109.07130	0.4
111.04475	0.4
113.06005	0.5
115.57443	1.2
120.02055	0.4
120.08095	0.6
121.01669	4.6
121.06522	2.6
121.08431	6.9
121.10132	1.4
122.03620	0.6
122.58187	0.3
123.04427	10.3
123.07764	0.5
123.08633	14.3
124.05212	4.1
125.05975	0.5
125.96398	1.4
126.02161	0.4
127.18259	0.3
128.09674	0.4
131.04912	0.5
134.03641	1.4
135.04391	1.1
137.05989	1.7
137.10158	0.6
139.02783	0.4
139.03815	0.4
139.07605	0.4
144.03261	4.5
149.02377	0.6
149.04910	0.3
149.05983	2.0
149.07063	0.4
149.09596	0.6
151.03839	2.0
152.04710	4.2
162.04323	0.5
167.07034	100.0
172.97981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1228
Annotation	Hordenine
Peak:m/z	Relative Intensity
52.40249	0.2
56.39626	0.2
56.99602	0.2
63.38877	0.2
65.33485	0.2
72.08153	0.5
79.05510	0.9
80.05815	0.4
84.70676	0.2
91.05487	2.5
92.05821	1.6
93.07052	4.0
94.07391	0.9
95.04962	0.9
99.54792	0.2
103.05490	2.1
106.07372	0.9
118.07339	0.3
119.08584	0.3
120.02027	0.4
120.08125	0.5
120.08931	4.5
121.06512	100.0
122.10484	0.3
124.04819	0.4
142.77496	0.3
143.03619	0.3
148.08455	2.0
166.09529	1.1
166.12282	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	166.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69207	0.1
53.82951	0.1
56.05054	0.1
56.96586	0.1
60.90085	0.1
70.06625	0.1
77.03931	0.2
79.05545	0.2
83.93082	0.2
84.01215	0.5
84.08125	0.2
86.09706	0.1
87.04530	0.1
88.44258	0.1
91.05486	1.5
93.07038	3.3
94.06564	0.3
95.04965	1.3
96.05310	0.8
96.08096	0.1
101.00874	0.2
102.00963	1.0
102.02261	1.7
103.05483	2.0
105.04509	0.1
107.04922	0.2
119.01929	1.5
120.02029	3.0
120.03306	0.5
120.05296	0.2
120.08116	5.2
121.06508	100.0
122.09662	0.6
123.04441	1.9
124.04764	5.3
124.07634	0.1
125.02525	0.6
125.03766	0.1
131.04948	0.1
138.03079	0.8
138.09213	0.3
138.10242	0.6
142.03526	0.9
142.94949	0.1
142.96713	1.5
143.03619	4.8
148.04793	0.6
148.07547	0.9
148.11249	0.1
149.04593	0.2
151.03917	0.8
161.04652	0.6
166.05060	1.1
166.06160	0.4
166.07249	2.6
166.08615	2.6
166.09810	1.6
166.12270	17.4
167.05652	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
53.03962	0.6
55.01882	0.7
55.05532	0.9
56.32936	0.3
59.05020	0.8
60.05661	0.5
63.39578	0.3
67.05516	2.8
69.03438	0.4
70.28625	0.3
72.08163	0.8
73.06564	0.3
73.07103	0.3
77.03951	1.5
79.05502	23.3
79.05967	0.8
80.05843	0.4
81.07054	0.6
83.04972	3.2
91.05486	35.2
93.07049	29.6
95.04973	5.0
95.08611	1.4
101.00887	3.1
103.05463	1.5
104.06258	0.7
105.03416	3.2
105.04501	0.7
105.07040	14.5
106.07872	0.6
107.04966	0.7
107.08598	0.3
109.06523	0.7
109.10155	2.9
111.04442	0.5
114.10335	0.5
117.07021	7.1
119.01920	5.0
119.08588	100.0
120.08150	0.7
121.06511	1.4
121.10155	11.3
121.10958	0.6
123.04431	12.4
123.08073	4.0
124.02448	1.7
132.05692	0.5
133.07581	0.6
137.09633	5.1
142.03542	6.6
147.04390	0.4
147.08060	28.2
160.04568	0.6
165.09116	17.2
165.10468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
53.03970	0.4
55.05530	1.9
59.05013	0.3
67.05519	3.0
72.08185	0.6
77.03952	0.7
79.05508	21.7
81.07069	0.7
83.05006	3.4
91.05492	36.5
92.17825	0.4
92.85116	0.3
93.07056	27.2
95.04973	6.0
95.08611	1.7
97.06513	0.5
101.00900	1.7
103.05470	2.3
104.06257	0.4
105.03409	2.5
105.04531	1.4
105.07047	14.9
107.04951	0.7
109.06548	1.3
109.10172	3.2
117.07032	9.5
119.01938	2.4
119.08592	100.0
120.09379	0.3
121.06523	1.8
121.10151	11.3
123.04440	10.6
123.08080	3.8
124.02531	0.4
129.06985	0.4
132.05724	0.4
133.07684	0.6
137.05992	0.4
137.09627	4.6
142.03545	3.1
147.08067	28.2
160.04622	0.3
165.09123	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	165.0912
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
55.01877	0.7
55.05518	2.2
59.05009	0.7
59.09637	0.4
61.72305	0.3
64.62160	0.3
67.05508	2.7
69.03441	0.5
77.03931	1.7
78.62630	0.3
79.05506	21.2
81.07069	0.8
83.04988	3.2
90.38947	0.4
90.39526	0.4
91.05489	39.9
92.65630	0.4
93.07053	29.4
95.04984	5.3
95.08595	2.1
100.02493	0.5
101.00905	5.0
103.05489	2.5
104.06254	0.6
105.03392	2.1
105.04569	0.7
105.07047	17.1
106.07850	0.7
107.04987	1.6
109.06503	0.7
109.10182	3.6
117.07046	8.3
119.01934	8.9
119.04990	0.9
119.08590	100.0
121.06496	0.7
121.10155	11.5
123.04429	13.0
123.08070	3.6
124.02479	2.6
133.07587	0.6
137.02988	0.5
137.06026	0.5
137.09653	4.1
142.03522	12.0
147.04416	1.5
147.08064	30.1
160.04562	0.9
165.09114	15.9
165.10445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
53.03933	0.3
55.84677	0.2
56.70153	0.2
71.97128	0.2
77.03925	0.3
82.01443	0.3
82.99860	0.5
91.05487	5.9
93.07033	1.0
95.04973	29.0
97.59443	0.2
101.00887	8.8
103.05467	3.1
103.67045	0.2
105.04506	0.3
109.06506	1.9
115.86295	0.2
119.01922	14.3
119.04942	29.1
119.63721	0.2
121.06506	1.9
123.04430	100.0
124.02458	3.7
125.39632	0.2
126.71970	0.3
127.36731	0.2
135.04469	0.5
137.02945	1.8
137.05981	1.8
142.03508	19.2
147.04422	13.1
147.05516	1.1
147.06592	3.2
160.04561	2.3
165.05479	3.6
165.07768	1.6
165.10184	0.3
182.91527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
53.03945	0.5
55.01870	0.3
55.05520	0.8
59.05007	1.6
65.03946	0.5
67.05503	2.8
69.03432	0.6
77.03924	0.8
79.05501	18.9
81.07013	1.2
83.04998	3.4
83.30105	0.4
91.05486	34.6
93.07050	28.2
95.04972	5.3
95.08605	2.0
97.41355	0.4
101.00898	2.5
103.05494	1.8
103.28119	0.3
104.06224	0.6
105.03413	2.6
105.07042	18.4
106.07825	1.3
107.04931	1.3
109.10165	3.1
109.90666	0.4
117.07018	7.4
119.01933	3.8
119.08586	100.0
120.09425	0.5
121.06514	0.7
121.10147	11.4
123.04430	10.9
123.08063	4.1
124.02470	0.8
125.17302	0.3
129.06981	0.4
132.05736	0.5
133.07597	0.8
137.09618	4.4
142.03542	4.8
147.08057	27.7
165.09100	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	165.0548
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
63.40774	0.2
65.01253	0.3
65.03939	0.5
77.03931	1.6
79.14599	0.3
82.12196	0.3
91.05484	18.1
92.18335	0.3
93.07050	3.9
95.04977	14.8
103.05476	90.5
105.04510	0.7
112.51224	0.3
119.04932	2.4
121.05685	0.6
121.06506	12.4
123.04433	100.0
133.06477	0.4
147.04417	81.8
165.05458	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
58.58952	0.3
65.03918	0.3
68.03356	0.3
69.03445	0.6
70.06587	0.4
72.08158	1.9
77.03926	0.6
79.05514	0.6
82.01430	0.4
82.99851	1.8
83.01515	0.4
84.05618	0.7
91.05492	5.0
93.07047	2.0
95.04976	27.7
97.07716	0.3
100.02480	0.8
101.00887	23.6
101.01551	0.8
101.02590	1.7
103.05482	1.9
109.06533	0.9
119.01928	53.4
119.04941	20.4
119.05865	0.5
119.08556	0.6
121.03993	4.3
121.06505	1.9
123.04435	100.0
123.96470	0.4
124.02460	10.9
124.03895	0.4
128.30919	0.4
133.02859	0.4
137.02969	8.1
137.06000	1.8
139.52115	0.4
142.03511	70.7
147.03233	0.4
147.04414	10.5
147.05545	0.8
147.06584	2.7
147.07814	0.4
160.04559	10.5
165.05394	3.2
165.06610	6.2
165.07719	1.4
165.08987	0.9
165.10283	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	165.0547
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03962	0.4
65.03923	0.2
69.03438	0.3
77.03930	1.4
91.05482	19.4
93.07037	4.4
95.04971	15.5
100.02503	0.5
101.00893	1.2
101.02602	0.6
103.05473	89.6
105.04514	1.4
119.01932	3.8
119.03626	0.4
119.04927	2.5
121.05590	0.3
121.05846	0.2
121.06507	13.6
123.04430	100.0
124.02420	0.6
126.80119	0.2
133.02917	0.4
137.02924	0.3
142.03510	4.3
147.04413	82.4
165.05490	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	164.0919
Annotation	2,5-Dideoxy-2,5-imino-D-glucitol
Peak:m/z	Relative Intensity
55.01886	0.6
56.05049	12.1
57.03447	1.0
58.03778	0.6
58.06607	11.0
60.04524	2.2
61.02943	0.7
66.99706	0.5
69.03428	2.1
70.03761	3.6
70.06600	10.8
71.06924	2.1
72.04523	1.0
72.07252	0.9
72.08167	0.6
74.02455	1.0
74.06082	1.9
78.95285	2.1
82.00999	1.0
82.01454	18.4
83.08591	0.5
84.05671	0.6
85.02919	4.4
86.03253	7.3
86.06074	69.1
87.04452	1.2
88.04007	0.7
91.05428	0.5
91.56726	0.6
98.03256	0.9
100.02489	48.0
102.05546	12.4
102.09174	4.8
104.07114	100.0
112.08741	0.9
112.13262	0.6
113.96423	0.8
114.05523	2.3
116.07119	0.9
117.79581	0.5
118.03528	13.9
119.97885	3.2
122.94202	0.7
123.04085	0.8
127.01380	0.5
128.07104	3.9
132.05125	0.6
132.10249	0.9
136.04709	1.1
136.07613	0.9
140.95300	1.1
141.05035	0.9
145.96587	0.6
146.03194	1.0
146.08127	40.7
146.11853	1.0
150.54778	0.7
152.53523	0.7
158.96350	2.2
163.97803	0.6
164.04330	4.5
164.07115	5.7
164.09258	24.3
164.10721	2.7
164.12817	3.0
164.54486	2.0
172.02605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	38.6
58.42448	0.3
59.04758	0.3
63.02708	0.6
66.93719	0.3
74.02442	13.5
74.06082	19.7
82.01450	6.5
84.04509	7.8
84.10507	0.3
85.02908	1.7
85.52367	0.4
88.07954	0.3
98.94511	0.3
100.02486	18.0
102.05545	100.0
106.75906	0.3
118.03532	5.7
123.04031	0.4
141.05115	0.4
146.91016	0.3
164.07399	0.5
171.93568	0.3
180.42609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0376
Annotation	Acetylcysteine
Peak:m/z	Relative Intensity
61.01157	100.0
68.99806	1.5
74.08083	0.3
74.86248	0.4
76.02261	0.7
78.03801	2.9
82.01450	5.6
86.02425	8.5
87.00833	4.6
90.04342	0.3
95.04970	3.1
100.02485	11.8
100.03099	0.5
104.01695	49.1
104.03468	31.6
105.07098	0.5
110.33971	0.4
112.03983	1.7
118.03566	2.3
123.04438	4.6
128.01730	0.4
128.04971	0.4
129.00063	34.5
130.05003	18.0
132.05321	0.4
132.92787	0.4
136.04745	0.7
146.02704	31.6
147.01126	2.6
151.19850	0.3
164.03743	14.0
164.07126	0.4
164.10756	0.7
171.96953	0.3
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	Clavukerin A
Peak:m/z	Relative Intensity
52.69371	0.5
53.03976	0.5
55.05527	4.6
55.63979	0.4
60.20202	0.5
61.02942	0.8
67.05514	3.3
69.03426	0.7
69.07075	10.6
79.05064	0.7
79.05501	15.7
81.07064	53.0
83.08618	7.4
85.02899	2.2
89.03954	3.4
91.04777	0.4
91.04962	0.5
91.05470	5.1
93.07051	28.1
94.88914	0.5
95.04954	1.0
95.08607	21.2
97.10158	0.6
103.05444	4.7
105.07022	5.1
107.04948	3.4
107.08602	100.0
109.06528	0.6
109.10178	0.9
117.03369	5.7
117.07005	0.8
119.08580	2.1
121.06494	1.0
121.10137	29.5
121.95732	2.0
131.04915	11.1
133.02945	0.6
135.04431	12.0
135.08070	1.0
135.11694	14.2
145.02895	6.4
145.06503	0.6
145.10129	5.2
163.03900	33.2
163.07506	6.6
163.09763	0.9
163.11163	13.0
163.14818	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	14.8
57.07084	42.1
61.02933	1.1
63.07958	0.9
63.09804	0.9
69.07076	3.6
79.05485	6.6
80.93105	1.2
81.07047	2.2
83.08624	7.7
85.02919	4.8
89.03912	8.7
89.06033	34.6
91.05482	3.8
93.07065	7.6
95.04956	1.7
95.08566	1.6
101.09645	7.5
103.05473	39.2
105.03314	1.4
105.07009	4.7
107.04976	11.6
107.07047	7.6
107.08597	17.3
115.05434	1.1
117.03375	15.8
117.07005	1.0
119.00136	1.2
121.10153	12.6
121.95750	4.1
127.01402	0.9
127.03944	1.1
131.04924	100.0
135.04413	36.7
135.08072	2.0
135.11705	4.0
145.02847	18.5
145.03949	1.7
145.10094	4.3
148.04988	1.0
163.03899	61.3
163.07523	54.1
163.11142	10.4
163.12349	1.7
163.14842	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	163.1231
Annotation	L-Nicotine
Peak:m/z	Relative Intensity
51.52379	0.3
54.19192	0.3
55.05506	0.4
57.03443	0.5
58.34695	0.3
60.05659	0.7
61.02963	0.5
65.03954	0.4
69.03429	1.4
72.08157	6.6
78.06897	8.2
79.05500	2.7
79.05901	0.4
80.05025	2.2
81.07058	0.5
84.05625	4.3
84.08150	4.8
85.02902	3.8
87.07410	0.4
89.03930	5.9
91.05477	0.6
93.07076	0.5
94.06572	0.9
95.04974	0.5
97.02896	1.3
97.06531	0.6
99.04471	0.5
100.20234	0.3
103.04042	0.4
105.07023	1.3
106.06564	25.3
107.04971	4.2
109.06532	0.6
114.10298	0.5
115.05408	0.4
117.00282	2.9
117.03387	9.7
117.05753	9.7
120.08101	9.2
122.09598	0.4
123.51488	0.3
124.05153	0.4
130.06531	40.3
131.31606	0.3
132.08093	83.0
135.04420	23.5
138.10274	2.7
140.09442	2.2
140.16884	0.4
145.02843	12.2
149.09962	1.5
163.03899	33.5
163.12296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.90231	0.8
55.01886	7.3
55.05510	1.9
57.03440	1.2
67.05521	13.4
69.03414	2.2
69.07058	4.5
72.73709	0.9
73.39283	1.0
79.05074	1.4
79.05510	29.1
80.93092	2.1
81.03415	5.3
81.07074	12.6
83.04993	1.7
85.06548	1.2
91.05473	11.8
93.07049	33.1
95.04979	7.8
95.08617	10.0
97.06532	2.0
98.94158	0.9
103.05511	7.0
105.04442	1.1
105.07041	15.9
106.49467	0.9
107.04964	19.3
107.08609	29.5
109.06503	1.4
117.03404	2.2
117.07028	19.3
119.08580	11.6
121.06490	11.6
121.10153	11.4
121.95734	6.4
130.07787	5.3
131.04918	13.2
133.02887	1.2
133.10110	1.5
135.04424	5.7
135.08069	7.3
135.11714	27.7
139.96767	2.2
145.02844	2.0
145.06554	1.1
145.10130	37.0
163.03918	23.1
163.05145	1.4
163.07562	10.9
163.11185	100.0
163.14835	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.30631	0.9
55.01869	4.8
55.05521	2.0
57.03436	1.3
67.05521	8.5
69.03422	2.2
69.07066	5.3
79.05506	22.0
80.93107	5.2
81.07073	13.2
83.04977	1.2
84.27370	1.0
85.02898	2.6
89.03917	6.1
91.05488	10.7
93.07059	26.1
95.04964	9.0
95.08613	12.5
103.05472	16.6
105.07061	16.4
107.04962	15.9
107.08598	33.1
109.06503	1.5
110.62451	1.2
117.03387	13.7
117.07018	19.4
119.04953	1.2
119.08575	8.4
121.06513	10.6
121.10139	22.9
121.95710	7.1
127.69432	1.1
130.07780	5.2
131.04037	1.4
131.04942	32.0
133.10115	1.8
135.04430	36.6
135.05437	1.4
135.08047	8.6
135.11702	20.6
145.02853	16.7
145.06511	11.8
145.10143	37.0
163.03899	68.3
163.07545	27.8
163.08714	8.7
163.11183	100.0
163.14825	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	163.0866
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
55.12677	0.1
61.02914	0.1
62.98198	0.1
69.03432	0.1
76.02229	0.1
79.05492	0.1
84.04548	0.1
84.08133	0.1
85.02910	0.7
89.03928	0.7
89.99250	0.7
91.05428	0.3
91.75447	0.1
97.02921	0.2
99.04455	0.5
99.42289	0.1
103.00692	0.1
103.03934	0.2
103.05484	0.1
107.04980	0.4
107.85959	0.1
115.00620	0.6
117.00319	37.3
117.03350	0.9
118.06573	0.4
121.01664	0.4
123.21181	0.1
127.03934	0.2
131.04950	0.2
133.07626	5.1
135.01321	0.1
135.04437	2.3
139.01851	0.1
145.02835	1.3
145.07626	6.7
145.08778	0.2
146.08342	0.2
163.00829	4.6
163.03954	5.1
163.08669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0756
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
55.05518	0.5
57.07074	0.5
57.09644	0.3
61.02940	0.5
65.55663	0.4
67.05508	0.4
69.03439	0.4
69.07082	0.6
79.05499	2.1
80.93118	0.6
81.07066	1.4
85.02908	1.6
89.03922	4.3
89.06036	0.4
91.05493	1.3
93.07040	2.6
95.04977	1.6
95.08616	0.5
101.09668	0.3
103.05476	39.9
105.03423	0.5
105.07069	1.1
107.04970	4.4
107.08588	3.9
115.05430	0.4
117.03368	6.5
117.07035	2.3
119.08612	0.5
119.24807	0.3
121.06476	0.7
121.10126	3.1
121.95734	2.1
131.04935	100.0
131.97685	0.3
133.02835	0.4
135.04420	16.1
135.08051	1.6
135.11710	1.4
138.61568	0.4
139.96758	0.4
145.02847	8.6
145.06490	8.9
145.10124	2.6
148.05211	0.4
155.06049	0.5
159.65616	0.4
163.01952	0.5
163.03912	23.2
163.07536	59.9
163.11169	6.3
163.14819	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	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
57.59913	0.3
58.31699	0.2
68.99784	0.4
71.07172	0.3
72.01402	0.3
79.05511	0.7
91.05473	0.5
91.09929	0.3
95.04974	0.7
103.05468	35.0
105.07030	0.6
107.04950	3.8
107.08606	0.4
115.05473	0.5
117.03389	0.3
117.07001	0.4
119.27676	0.2
121.10120	0.3
122.72098	0.3
128.01845	0.3
131.04924	100.0
135.04398	1.9
135.08073	2.0
141.53674	0.3
148.05182	1.4
163.03912	2.7
163.07527	60.7
163.11169	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	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.07378	0.2
51.02391	0.2
52.11746	0.2
56.25071	0.2
66.53705	0.2
76.04296	0.2
77.03924	0.2
93.06525	0.2
93.31017	0.2
95.04964	0.4
103.05477	35.0
103.86304	0.2
107.04975	0.7
107.08593	0.2
119.59097	0.2
121.10186	0.2
127.73606	0.2
131.04933	100.0
144.39456	0.2
145.10248	0.3
163.07541	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	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03945	0.3
57.31709	0.3
61.76160	0.3
66.85655	0.3
69.03426	1.3
74.08316	0.3
77.03941	0.4
79.05515	3.5
81.07040	0.4
85.02908	1.4
89.03933	6.3
91.05494	1.5
93.07052	2.9
95.04986	1.6
95.08618	0.7
103.05479	45.6
105.07012	1.7
107.04967	10.4
107.08593	5.3
115.05439	0.4
117.03393	9.8
117.07001	1.4
119.08610	0.8
121.06535	0.5
121.10144	2.9
130.07750	0.4
131.04936	100.0
135.04431	22.3
135.05278	0.3
135.08067	3.7
135.11723	1.6
138.72101	0.3
145.02873	13.3
145.03966	0.8
145.06464	0.6
145.10133	2.5
148.05151	1.2
163.03905	32.1
163.07545	32.9
163.11168	6.3
163.12323	0.5
163.14807	2.0
167.55426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02371	0.2
55.01900	0.1
55.79424	0.1
60.10058	0.1
64.57622	0.1
69.03415	0.1
76.30199	0.1
77.03940	0.1
79.05491	0.2
81.07103	0.2
85.02901	0.7
86.92566	0.1
91.05481	0.2
92.18432	0.1
93.07075	0.2
95.04983	0.5
95.23904	0.1
97.02906	0.1
103.05476	32.9
105.04543	0.1
105.07053	0.1
107.04946	1.2
107.08592	0.3
107.61019	0.2
117.03403	0.1
117.07037	0.2
121.06375	0.1
127.72675	0.1
131.04933	100.0
135.04427	0.8
135.08055	0.8
135.11729	0.1
135.19331	0.1
145.02876	0.2
148.05193	0.5
163.03918	2.4
163.07538	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	163.0391
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
55.01883	0.5
55.05518	0.6
57.03444	0.7
58.94621	0.4
61.02926	2.9
63.02370	0.6
64.62243	0.5
67.05486	0.5
69.03415	3.5
71.04987	2.3
73.02925	0.6
79.05501	5.5
81.03448	0.7
85.02908	10.8
85.06532	0.6
89.03920	18.4
89.31282	0.5
91.05471	2.1
91.20905	0.7
93.07059	0.9
95.04996	0.9
97.02908	0.9
99.04447	0.7
103.05480	3.1
107.04953	11.0
107.08582	0.9
109.02890	0.9
109.10164	2.9
117.03384	32.3
117.07040	2.2
121.10189	0.8
127.03896	1.0
127.11170	0.5
131.04945	7.9
135.04422	76.1
135.07990	1.0
145.02861	36.6
145.03874	1.4
145.06458	0.6
145.10149	0.6
163.03906	100.0
163.07497	5.1
163.08725	1.1
163.11172	4.4
163.12372	0.9
176.15976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81349	0.9
79.05499	4.8
85.02898	1.1
89.03919	26.9
91.22510	1.0
103.05462	2.4
107.04942	10.8
107.45113	1.1
117.03375	42.3
131.04942	5.8
135.04416	85.3
145.02849	51.7
145.03874	1.2
163.03900	100.0
163.07549	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39761	0.4
57.03452	0.5
61.02919	0.8
63.02375	0.9
63.18336	0.4
63.88115	0.4
69.03439	3.1
69.03739	0.4
72.37596	0.5
73.02922	0.7
74.10865	0.4
79.05507	5.7
85.02906	6.5
89.03365	0.7
89.03922	22.0
89.07936	0.5
91.05453	0.6
92.18393	0.5
93.07030	0.5
95.04950	0.8
97.02894	2.0
103.05486	5.7
105.07042	23.4
107.04961	11.4
109.02858	0.5
117.03386	36.4
121.10103	0.4
122.09664	2.6
127.03867	0.5
131.04926	9.4
135.04425	77.6
140.29736	0.4
145.02861	46.1
163.03903	100.0
163.05873	9.0
163.07523	3.5
163.11195	0.8
178.50990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.54990	0.5
50.86785	0.4
56.80062	0.5
63.02380	1.0
64.83204	0.6
69.91520	0.6
73.29251	0.6
73.77277	0.6
79.05501	5.4
89.03918	18.6
89.20313	0.6
91.05470	0.8
91.22144	0.5
93.07051	0.6
95.04955	0.7
98.82359	0.6
103.05478	10.3
105.06992	0.6
107.04964	11.1
107.08601	1.2
109.14452	0.6
116.44820	0.6
117.03377	32.1
117.07052	0.9
121.10149	0.7
121.95728	1.2
131.04924	26.2
135.04419	76.1
145.02852	45.3
148.05086	0.7
163.03896	100.0
163.07533	12.4
163.08751	1.1
163.11174	3.5
163.14799	1.0
178.80347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
63.02374	0.8
63.92411	0.6
76.70149	0.6
79.05489	4.1
79.24741	0.6
80.56033	0.6
86.44168	0.7
89.03924	24.1
95.04976	0.9
107.04957	11.3
117.03381	40.9
135.04428	87.6
145.02861	45.4
145.03870	1.5
163.03906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
63.02377	0.8
79.05500	4.4
83.48605	0.4
89.03921	23.0
93.07050	0.4
95.04981	0.6
103.05471	3.0
103.50822	0.5
107.04959	11.4
107.08592	0.9
107.61001	0.4
117.03381	37.2
121.10136	0.9
131.04924	7.7
135.04425	78.8
145.02853	43.7
145.03835	1.4
163.03902	100.0
163.07524	6.8
163.11211	2.0
163.14851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
51.04799	0.6
51.22532	0.7
54.51032	0.5
55.36829	0.5
72.08144	1.0
78.06907	0.7
79.05476	3.3
87.07399	0.9
89.03924	12.9
91.05490	1.2
92.18468	0.9
95.04984	1.2
103.05478	43.3
107.04971	8.1
107.08605	0.8
117.03383	25.2
131.04933	100.0
135.04427	52.1
135.05394	0.8
135.08083	1.2
145.02852	34.9
145.03873	1.3
163.03902	90.1
163.07547	45.9
163.08922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
52.40966	0.6
63.02380	0.9
66.72341	0.7
79.05476	3.1
79.99957	0.7
81.76618	0.7
89.03920	27.3
95.04946	0.7
98.74973	0.8
101.21864	0.7
107.04961	9.3
117.03387	39.6
135.04422	87.0
145.02856	49.9
145.03798	0.8
163.03899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
62.80959	0.7
63.02369	1.1
65.88927	0.8
77.03931	1.3
79.05479	4.7
79.16589	0.7
89.03916	31.8
95.04952	1.2
105.45580	0.8
107.04948	9.5
117.03377	44.1
125.30084	0.9
127.01626	0.9
135.04417	95.8
145.02852	49.6
145.03952	1.4
163.03896	100.0
177.41463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
51.19510	0.2
55.01863	0.4
62.01597	0.3
63.02385	1.3
67.27143	0.2
69.03430	0.5
69.07055	0.3
77.03897	0.4
79.05494	4.8
81.07067	0.6
85.02914	1.5
89.03919	19.8
91.05480	1.8
93.07040	1.1
95.04971	1.4
95.08618	0.5
100.72646	0.2
103.05473	6.3
105.07053	1.1
107.04961	10.1
107.08606	4.0
117.03381	31.7
117.07019	0.4
119.04946	1.1
121.06509	0.3
121.10139	1.5
131.04936	14.3
133.02945	0.3
135.04419	76.3
135.08084	1.3
135.11687	1.3
145.02855	40.4
145.10117	0.6
159.03302	0.2
163.03900	100.0
163.07520	8.4
163.11115	2.8
163.14809	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
51.14765	0.4
59.96515	0.5
60.81348	0.4
61.68201	0.5
62.09856	0.5
65.14845	0.5
65.85484	0.5
66.01614	0.5
69.03459	0.7
69.71528	0.4
72.08132	2.8
78.06870	2.3
79.05490	4.3
84.05637	0.9
85.02940	0.7
89.03919	22.3
95.04991	0.8
99.80122	0.5
107.04965	10.2
117.03380	36.3
130.06534	2.4
132.08063	3.7
135.04419	75.6
138.10260	0.8
140.09431	0.6
145.02849	46.8
163.03899	100.0
163.12317	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	163.039
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.78555	0.5
51.84080	0.4
60.12105	0.5
63.02368	0.7
66.81493	0.5
67.05499	0.6
71.04981	0.8
72.83478	0.5
72.98769	0.5
74.57191	0.5
79.05518	4.5
81.68347	0.5
81.96977	0.5
85.02883	1.1
88.30173	0.5
89.03923	21.2
92.35713	0.6
92.62081	0.6
95.04961	2.5
103.05481	1.0
105.07043	15.9
107.04967	8.5
107.08705	0.6
117.03384	36.7
122.09693	1.3
131.04936	2.4
135.04425	81.8
145.02855	42.5
145.03807	1.1
145.06482	0.6
163.03903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96583	2.6
59.28434	2.1
69.03425	2.7
79.05496	4.7
81.07069	3.1
85.02907	4.2
89.03892	2.0
103.00653	5.3
103.05476	3.5
107.04980	4.1
107.08598	10.4
117.07023	3.0
119.01942	5.2
119.08743	2.2
121.00790	24.6
121.01675	53.9
121.02479	3.5
121.95745	3.9
121.96621	4.7
122.02004	2.8
131.04924	3.5
133.02840	4.5
135.04443	12.4
135.08087	5.7
139.01831	28.6
139.02753	8.3
139.98296	2.5
145.00999	7.5
145.03632	16.8
163.01816	100.0
163.03870	69.1
163.06107	4.8
163.07530	13.8
163.08679	11.7
163.09895	4.2
163.11194	12.4
163.12373	2.7
163.14835	4.7
181.02852	74.7
181.04282	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	162.1126
Annotation	L-Carnitine
Peak:m/z	Relative Intensity
52.04106	0.2
56.05041	1.7
57.03447	1.2
58.06599	2.6
59.07378	1.2
60.04519	0.3
60.05640	0.3
60.08175	18.6
66.07874	0.3
69.03412	0.3
70.06593	2.2
72.04512	0.6
74.06066	0.7
76.07627	1.2
77.00630	0.6
81.07051	0.6
83.08595	0.6
84.04515	9.3
84.08170	0.5
85.02912	6.2
85.04845	0.4
85.06560	0.3
87.04488	5.1
87.78169	0.3
90.05536	0.3
97.02921	0.5
98.06065	8.8
100.04004	2.2
102.00975	1.8
102.05556	4.2
102.09189	6.6
102.96884	0.4
103.00643	2.0
103.03952	28.9
107.90807	0.3
111.46024	0.3
112.08654	0.3
115.00616	0.6
115.03864	0.4
116.00222	0.6
116.00949	2.7
116.07091	8.1
116.08284	0.7
116.10736	0.5
119.01926	1.3
120.02006	2.8
120.06549	1.9
120.97841	0.3
121.01651	3.6
126.09151	4.2
127.09506	0.7
130.04999	1.6
144.02074	2.1
144.03270	5.9
144.06580	4.6
144.10242	0.7
144.13792	0.6
152.04285	0.3
162.03139	0.7
162.04250	1.2
162.05598	1.4
162.07765	4.0
162.08922	3.0
162.11259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
58.06599	2.4
59.07380	1.5
60.08173	17.8
62.75873	0.2
70.06599	22.8
71.04987	0.4
76.07641	1.3
81.07059	1.4
83.08623	3.4
84.04509	3.1
85.02920	7.1
85.06554	2.0
87.04488	2.6
98.06065	3.3
99.08089	0.6
102.01003	0.5
102.05560	2.3
102.09187	7.9
102.44434	0.3
102.96895	0.3
103.00614	0.5
103.03954	29.8
104.85683	0.3
109.06540	0.3
112.08718	3.0
112.41399	0.3
116.07075	0.6
120.02039	0.6
120.06544	0.5
121.01664	1.1
122.67713	0.3
126.02174	0.6
126.09181	3.9
127.07525	0.6
127.09511	1.6
130.09753	1.8
144.02109	0.5
144.03258	2.8
144.06563	0.6
144.10188	1.6
144.11235	0.8
145.10521	0.4
162.11256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04597	0.7
84.05618	1.5
89.83109	0.7
93.07054	6.2
96.05591	1.5
102.12451	0.8
103.05447	1.1
118.06552	0.9
120.08105	34.5
121.00760	3.0
121.02859	1.7
125.10598	0.9
133.07620	4.4
134.05972	1.2
134.06908	1.5
139.01826	1.3
144.02376	0.8
145.07631	3.0
147.07912	4.8
159.70824	0.8
162.03186	1.2
162.05417	8.0
162.10260	100.0
164.32390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0914
Annotation	Indole-3-ethanol
Peak:m/z	Relative Intensity
51.13131	0.2
54.41456	0.2
60.91676	0.2
63.08113	0.2
63.34161	0.2
65.00714	0.2
67.08415	0.3
68.76241	0.2
70.77628	0.2
75.26592	0.3
79.10911	0.3
83.15794	0.3
91.05488	0.3
94.72871	0.2
97.15604	0.3
103.05514	0.3
105.07066	0.5
106.06576	1.8
106.07355	0.5
116.07112	0.3
117.07024	3.7
118.06541	7.2
118.07357	0.3
121.00844	0.3
132.08090	0.6
134.03641	3.8
134.06018	3.4
134.06834	0.6
134.09657	0.6
139.01772	0.5
142.94807	0.3
143.07309	3.6
144.08092	100.0
145.06502	1.6
155.06055	2.3
162.03137	4.3
162.05444	2.2
162.06433	1.3
162.09117	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	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37541	0.2
55.05523	4.4
55.26256	0.2
56.96366	0.2
62.99085	0.3
66.10290	0.2
67.05523	0.3
69.07061	2.3
69.27376	0.3
79.05511	1.2
81.07079	1.0
86.90160	0.2
89.74770	0.3
91.05489	2.7
93.07050	0.4
95.04967	0.3
96.34921	0.2
101.88505	0.3
103.05479	1.7
105.07040	21.3
107.08611	1.4
115.05447	2.5
117.07050	1.3
118.04148	1.2
119.08584	100.0
121.06468	0.3
121.10142	2.9
130.09937	0.3
131.04959	0.3
131.08591	0.5
133.02681	0.2
133.06494	6.5
133.10135	17.1
143.08585	1.2
146.03603	0.4
146.07220	0.3
146.10953	0.5
159.11693	1.2
161.05988	5.3
161.07169	0.3
161.09618	6.3
161.13254	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.37541	0.2
55.05523	4.4
55.26256	0.2
56.96366	0.2
62.99085	0.3
66.10290	0.2
67.05523	0.3
69.07061	2.3
69.27376	0.3
79.05511	1.2
81.07079	1.0
86.90160	0.2
89.74770	0.3
91.05489	2.7
93.07050	0.4
95.04967	0.3
96.34921	0.2
101.88505	0.3
103.05479	1.7
105.07040	21.3
107.08611	1.4
115.05447	2.5
117.07050	1.3
118.04148	1.2
119.08584	100.0
121.06468	0.3
121.10142	2.9
130.09937	0.3
131.04959	0.3
131.08591	0.5
133.02681	0.2
133.06494	6.5
133.10135	17.1
143.08585	1.2
146.03603	0.4
146.07220	0.3
146.10953	0.5
159.11693	1.2
161.05988	5.3
161.07169	0.3
161.09618	6.3
161.13254	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.05518	2.8
63.52586	0.3
67.05495	2.1
69.07073	4.4
73.42130	0.3
74.08327	0.3
79.05504	3.5
81.07068	53.0
83.08622	0.3
90.84518	0.3
91.05475	5.8
93.07050	12.9
95.04976	0.4
95.08614	3.8
103.05508	0.4
105.03405	0.6
105.07043	56.2
107.08591	2.3
115.05434	0.3
117.07003	1.7
119.08586	33.0
119.95731	2.6
131.08528	0.7
132.09367	0.5
133.02885	1.5
133.06493	2.0
133.10135	19.9
146.10915	0.6
159.11722	2.4
159.66386	0.4
161.02364	1.7
161.06012	2.2
161.07928	5.4
161.09624	5.2
161.13261	100.0
172.79039	0.4
178.27217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.21038	1.2
55.05517	1.4
55.45088	1.1
57.42923	1.2
67.05499	3.2
69.07056	1.7
70.21317	1.1
71.96021	1.4
78.93125	11.9
79.05497	5.9
81.07082	10.6
91.05491	16.4
93.07043	6.5
95.08593	1.5
96.94140	4.7
103.05463	1.7
105.03458	1.5
105.06386	2.5
105.07034	44.8
107.08569	1.4
115.00613	2.4
119.08587	43.4
119.09367	1.5
119.95743	30.9
120.08106	12.7
133.06493	6.9
133.10133	37.8
137.96779	8.1
161.05931	8.6
161.07156	5.2
161.08313	2.3
161.09631	12.2
161.13257	100.0
171.88626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1075
Annotation	Tryptamine
Peak:m/z	Relative Intensity
57.68518	0.1
65.20274	0.1
66.24326	0.1
67.10475	0.1
70.42146	0.1
79.05486	0.2
81.07063	0.1
91.05475	0.4
92.17886	0.1
98.14059	0.1
103.05480	0.2
105.07039	2.0
115.05459	0.8
117.07028	1.3
119.08585	0.2
120.08176	0.1
123.14964	0.1
132.08127	0.1
133.06502	1.1
133.10127	0.4
135.87897	0.1
143.01881	0.2
143.06212	0.1
143.07312	0.6
144.08095	100.0
145.06520	0.1
155.06090	0.1
161.05969	1.3
161.09642	1.0
161.10771	0.1
161.13199	0.7
169.79663	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.00543	0.5
51.18172	0.5
55.01897	4.5
55.02097	0.6
57.08420	0.5
60.24067	0.5
60.95856	0.5
69.03413	0.6
73.76984	0.5
77.03944	0.5
78.93121	2.8
79.05498	10.8
83.04996	1.0
85.02928	0.7
90.04684	0.8
91.05476	3.8
93.77454	0.6
95.04947	1.0
96.94154	0.7
103.05479	11.8
105.07040	100.0
106.44892	0.6
110.21758	0.6
115.05457	22.3
118.04161	10.2
119.08567	5.3
119.95774	7.7
131.04947	2.9
132.05702	1.0
133.06497	61.4
133.10132	4.9
137.96785	3.1
143.04993	1.1
143.06059	7.6
143.08557	0.9
146.03644	1.2
148.71469	0.6
157.56346	0.6
161.05975	34.5
161.07043	2.1
161.08182	1.2
161.09612	17.2
161.13275	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.05529	3.2
65.79794	0.4
67.05495	0.4
69.07068	0.7
79.05479	2.4
81.07059	2.0
91.05479	2.6
92.17812	0.8
93.07043	0.5
97.10210	0.5
103.05469	2.9
105.07042	21.9
107.08574	0.7
115.05445	2.9
117.07044	0.6
118.04150	5.2
119.08584	49.3
119.95711	0.8
120.08085	1.9
121.10162	0.8
123.58807	0.6
131.04930	3.1
131.08600	0.8
133.06494	8.5
133.10127	10.9
143.05003	0.6
143.06064	2.2
143.08536	0.5
146.03674	3.7
146.07266	1.5
146.09641	2.2
161.05972	100.0
161.07092	7.6
161.09584	13.5
161.11960	1.2
161.13249	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.01880	3.7
55.05523	0.4
55.83435	0.4
78.93132	5.2
79.05492	10.0
79.05904	0.6
83.04972	0.4
89.03912	0.8
90.99020	0.5
91.05501	3.6
91.58991	0.4
95.04986	2.2
96.94154	2.3
103.05470	12.5
105.07036	100.0
107.04987	0.8
115.05452	21.1
117.52225	0.4
118.04162	10.1
119.08572	2.1
119.95727	13.0
120.08099	0.9
131.04932	4.7
133.06494	63.8
133.10112	1.0
137.96780	3.0
143.04974	0.7
143.06038	7.8
146.03564	1.7
161.05965	22.2
161.06966	1.0
161.09616	4.1
161.13249	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.01884	4.0
69.87931	0.3
72.81425	0.3
77.03911	0.5
79.05505	9.9
79.05961	0.4
83.04925	0.3
89.03907	0.7
90.04675	0.5
91.05481	2.7
95.04993	2.1
103.05473	12.8
105.07037	100.0
106.07349	0.3
110.11761	0.3
115.05460	20.6
118.03372	0.6
118.04158	9.1
119.01913	0.4
119.08553	0.3
119.95744	0.3
121.06516	0.4
131.04913	4.1
132.05692	0.4
133.06497	63.2
143.03604	0.5
143.04993	0.8
143.06032	7.2
146.03676	0.5
161.05969	20.8
161.09616	3.0
161.11595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.49218	0.2
53.03954	0.2
55.01889	2.2
55.05521	0.5
60.05648	0.4
60.95856	0.2
67.05501	0.2
69.03436	0.2
69.07065	0.3
69.16543	0.2
70.06588	0.4
72.08154	1.7
79.05499	5.7
81.07076	1.0
83.04997	0.3
84.04513	0.9
91.05472	2.2
93.07047	2.0
94.07377	0.4
95.00827	0.2
95.04973	1.5
97.07640	0.3
103.05479	4.8
105.07041	52.3
107.04948	0.3
107.75458	0.2
114.10287	1.3
115.00642	0.3
115.05464	10.1
117.07034	2.0
118.04140	1.6
119.08579	1.9
119.95717	0.4
121.10144	1.3
127.82015	0.2
131.04930	1.2
133.06500	28.1
133.10097	1.7
140.11259	0.5
140.61449	1.1
143.06067	5.2
143.07208	0.8
143.08458	0.3
144.08096	100.0
146.03629	0.9
149.05981	0.4
157.10724	0.4
160.07600	0.4
161.05978	10.2
161.08031	1.4
161.09590	4.2
161.10756	1.8
161.13245	2.7
161.76256	0.2
166.12180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	1,8-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.32983	0.5
55.01870	0.6
59.42852	0.5
65.61674	0.6
67.34892	0.6
72.08153	1.5
73.02930	0.8
79.05487	1.3
84.08135	0.8
91.05473	1.3
94.25699	0.7
103.05434	1.2
105.07038	18.9
115.00587	1.4
115.05447	5.0
119.95725	1.2
121.80644	0.8
131.05000	0.7
133.06503	57.8
143.04964	1.5
143.06035	1.1
156.51300	0.6
161.05981	100.0
161.07999	4.3
161.09567	3.4
161.10762	1.3
161.13310	1.1
162.71701	0.7
171.05533	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.01869	2.5
67.53009	0.7
72.93872	0.6
78.93145	8.3
79.05505	10.0
83.05004	0.7
90.04710	0.7
91.05469	2.7
95.04971	2.1
96.94140	2.0
97.22380	0.6
97.65292	0.6
103.05473	13.9
105.07037	100.0
115.00604	0.9
115.05453	21.2
118.04166	11.1
119.08604	1.4
119.95731	16.9
120.08138	0.7
120.96540	0.8
131.04967	4.5
133.06494	66.8
133.10092	2.1
137.96764	5.1
143.05077	1.0
143.06041	6.7
146.03639	2.4
161.05974	26.1
161.07121	2.1
161.08156	1.0
161.09639	6.4
161.11586	2.5
161.13252	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.01891	4.1
78.93131	2.4
79.05496	7.2
91.05483	2.6
92.18459	0.7
93.44929	0.8
95.04967	2.8
100.31541	0.6
103.05478	13.1
105.07037	100.0
115.05457	20.3
118.04166	9.5
119.08576	3.0
119.95726	2.8
131.04938	4.9
133.06497	65.9
133.10110	3.7
137.96829	0.7
143.06021	7.3
146.03682	1.3
161.05968	23.5
161.06996	1.3
161.09593	7.4
161.13269	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
55.01884	3.3
65.03957	0.6
70.43587	0.5
73.84969	0.4
76.48080	0.4
79.05505	7.8
83.04984	0.7
85.06494	0.4
91.05483	3.9
92.18375	0.5
93.07040	0.7
95.04971	2.5
101.26743	0.4
103.05470	13.1
105.07038	100.0
107.04903	1.1
113.68378	0.6
115.05452	18.9
117.07050	0.9
118.04165	9.7
119.04955	0.6
119.08588	4.0
119.95722	0.6
120.08121	2.1
121.06525	0.8
128.06241	0.7
131.04932	3.6
131.08577	0.5
132.05719	1.0
133.06497	60.7
133.10162	6.3
143.05084	0.7
143.06078	6.1
143.08551	1.1
146.03606	0.7
146.07291	3.9
161.05975	24.9
161.07060	1.4
161.09616	14.6
161.10802	1.1
161.13257	3.5
176.45457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79776	0.2
82.99844	2.3
83.99918	0.4
101.00888	44.7
102.00949	11.7
105.14737	0.2
119.01923	100.0
119.35948	0.2
119.98239	0.2
120.02003	19.2
121.02377	0.3
124.02486	0.4
125.02567	9.4
126.09187	0.3
128.99542	0.4
130.16681	0.2
133.03497	0.2
137.02963	15.0
137.49977	0.2
138.00047	1.2
138.03043	2.8
138.49884	0.4
140.50336	0.8
141.00136	0.3
142.03506	1.8
143.03639	41.5
149.50865	2.7
150.00647	0.4
161.02940	7.1
161.04636	6.4
166.05191	0.3
179.03996	5.0
179.05389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.108
Annotation	delta-Guanidinovaleric acid
Peak:m/z	Relative Intensity
59.05008	15.1
60.05653	1.7
69.03429	0.3
73.16226	0.2
86.06074	6.7
86.06594	0.2
92.72484	0.2
95.47092	0.2
96.09519	0.2
100.07620	1.0
101.00879	1.7
101.06023	100.0
108.31973	0.2
109.25244	0.2
111.05584	1.7
114.12759	0.6
115.57461	0.8
118.08653	7.6
119.01910	3.7
123.08621	5.5
124.02423	1.3
128.08208	4.5
132.06531	0.2
142.03503	5.9
142.08495	0.2
143.08189	1.8
160.04526	0.8
160.07626	0.8
160.10809	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18573	0.1
59.05005	2.7
59.54610	0.1
68.95802	0.1
69.03448	0.2
69.07081	0.1
72.08148	0.2
86.06075	100.0
95.93551	0.2
100.07642	1.0
101.00876	0.2
101.06026	18.3
102.99472	0.2
111.04358	0.2
114.09129	0.2
118.06554	0.7
118.08656	3.5
119.01958	0.9
123.08640	1.0
128.07092	0.9
132.08112	0.2
142.03528	1.4
152.54884	0.2
160.04648	0.3
160.07571	3.3
160.08646	0.3
160.09735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0759
Annotation	N-Hydroxy-1-aminonaphthalene
Peak:m/z	Relative Intensity
52.56993	0.2
52.57280	0.2
53.42291	0.2
70.10619	0.2
89.34029	0.2
100.89936	0.2
117.05754	0.4
121.69060	0.2
132.08090	0.8
139.35590	0.2
160.07582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0759
Annotation	N-Hydroxy-1-aminonaphthalene
Peak:m/z	Relative Intensity
51.20534	0.2
62.07094	0.2
63.25621	0.2
65.33952	0.2
67.26469	0.2
68.29234	0.2
72.46439	0.2
75.85429	0.2
76.93359	0.3
77.93393	0.4
80.07977	0.2
97.32907	0.2
117.05775	0.4
117.95934	0.4
118.96038	0.4
132.08084	1.2
142.03485	0.2
160.07574	100.0
177.46150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0759
Annotation	Echinopsine
Peak:m/z	Relative Intensity
50.35935	0.3
59.19604	0.4
72.30956	0.3
73.02894	0.4
76.93348	1.0
77.93365	0.6
113.44849	0.4
114.05519	0.5
114.09149	0.5
117.05808	0.4
117.95966	2.4
118.06522	0.8
118.95993	3.0
119.01908	0.5
123.08636	0.8
131.04892	0.8
132.05690	0.8
132.06581	0.7
132.08064	3.0
136.97141	0.9
142.03490	0.6
142.08643	0.6
147.78372	0.4
160.05258	3.5
160.07568	100.0
165.18874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36817	0.6
72.77712	0.6
73.54811	0.6
73.74509	0.6
124.69210	0.7
160.07574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64410	0.7
67.98130	0.7
88.95863	0.9
89.91466	0.7
109.65367	0.8
113.72271	0.7
116.68569	0.7
117.96103	0.8
132.08025	1.1
158.27986	0.8
160.07573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0758
Annotation	Indoleacetaldehyde
Peak:m/z	Relative Intensity
51.24947	0.4
54.26688	0.4
66.84332	0.5
68.26700	0.6
114.05546	0.6
117.05711	0.5
117.95992	0.7
132.08076	1.1
154.51123	0.6
160.07576	100.0
160.11986	1.1
176.27097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0759
Annotation	2721-59-7
Peak:m/z	Relative Intensity
57.03437	0.4
57.07088	0.4
63.09520	0.3
70.06593	2.9
75.42113	0.3
82.06612	0.4
86.09702	0.4
87.04430	0.4
96.08148	0.7
100.07645	0.7
100.97163	0.6
101.00867	2.8
103.67542	0.4
104.07080	0.5
105.47444	0.3
111.33854	0.4
114.05542	0.4
114.08102	1.9
115.57462	14.3
116.07864	3.6
117.05759	0.6
117.95873	0.4
118.06573	1.4
118.96776	0.8
119.01923	10.1
123.08624	100.0
123.58762	0.5
124.02459	2.3
128.07074	0.8
132.06561	0.6
132.08109	5.0
132.09030	0.8
134.05917	0.4
137.02959	2.0
142.03502	14.8
142.08638	0.6
158.09596	0.6
160.04652	2.9
160.06187	0.9
160.07564	27.8
160.09627	1.1
172.11263	0.6
176.10680	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	160.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52874	0.1
59.49033	0.1
62.81855	0.1
65.03947	0.1
66.68365	0.1
70.16696	0.1
71.32713	0.1
72.01051	0.1
74.36590	0.1
98.94813	0.1
100.20774	0.1
115.05437	0.1
117.05738	0.6
123.08603	0.8
132.08070	1.3
142.03452	0.2
144.04433	0.2
145.05151	0.1
160.07576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0759
Annotation	N-Hydroxy-1-aminonaphthalene
Peak:m/z	Relative Intensity
69.86678	0.1
107.92030	0.1
117.05753	0.6
132.08127	1.3
144.04495	0.2
159.06671	0.2
160.07579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54560	0.1
56.60233	0.2
58.77733	0.2
59.45038	0.1
69.07059	0.4
70.06625	0.2
72.08152	1.1
76.96581	0.2
78.06873	0.3
81.22612	0.1
84.05633	0.2
91.05488	0.2
92.18507	0.2
101.02332	0.2
105.35815	0.2
110.07188	0.4
113.64666	0.2
117.05769	0.7
132.08081	1.6
145.05215	0.3
160.07582	100.0
162.05391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71640	0.6
52.35887	0.7
52.81506	0.5
54.80660	0.7
55.73623	0.7
62.06093	0.9
78.04713	10.4
91.16566	0.7
96.08138	0.8
101.88956	0.7
103.05450	6.0
104.06261	53.5
104.06969	1.8
105.03342	0.7
114.09188	0.8
118.06551	1.6
131.04926	9.2
132.05717	77.4
132.07996	1.5
133.08421	2.7
148.40721	0.7
152.03708	0.8
159.89940	0.8
160.05206	100.0
160.07462	21.3
160.09549	3.3
160.11919	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	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
57.03430	0.5
66.93631	0.4
66.99904	0.4
69.03414	1.8
76.93374	10.0
85.02905	2.0
87.00826	1.0
91.05471	0.7
94.94387	2.5
98.97562	1.1
99.04451	1.8
99.97905	1.0
105.07027	2.3
115.05444	2.9
116.98640	0.8
117.01800	0.8
117.05729	2.0
117.07008	2.0
117.95989	26.1
118.96752	0.6
119.08649	0.5
129.06998	0.6
130.06541	9.5
131.04942	2.4
131.06877	1.1
131.08568	8.0
131.11801	5.8
132.08096	49.0
135.97041	5.1
141.01872	0.7
141.06949	0.8
142.06523	7.4
144.05667	1.0
144.09348	2.1
157.10066	0.5
159.06456	3.0
159.08020	17.1
159.09180	100.0
159.11644	17.2
160.07593	8.3
173.38730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73106	1.0
56.96582	8.7
57.03453	1.5
58.95410	5.4
59.93106	1.0
69.03438	10.5
74.62616	1.0
76.59902	1.1
76.93372	39.8
78.98850	1.1
81.03425	1.9
85.02898	5.2
94.94413	14.8
98.97584	71.3
99.04442	7.4
99.97929	35.9
100.02487	9.8
101.01760	1.1
102.45580	1.2
111.46116	5.2
111.57721	1.2
113.05994	1.5
113.96388	5.0
116.96626	2.5
116.98615	49.4
117.95982	100.0
117.99024	50.7
118.01691	2.5
118.03503	15.4
118.96751	2.8
120.46658	7.3
122.96889	9.7
131.05995	1.2
131.08569	2.6
131.11824	20.7
131.97438	6.6
134.99663	32.2
135.97026	25.7
136.00070	28.0
136.02750	5.4
136.04553	6.0
141.00626	2.2
141.01845	5.7
141.05075	16.0
148.97693	1.3
153.00687	1.9
154.01012	2.2
158.97569	2.1
159.06395	9.1
159.07944	2.9
159.11281	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	158.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12163	0.2
54.64311	0.2
55.05511	0.4
56.96557	0.9
60.05650	0.2
67.05505	1.6
67.83276	0.2
69.07054	0.3
70.06248	0.3
70.06600	5.9
71.05000	13.3
71.06120	6.2
72.08160	5.2
78.06889	0.3
79.29900	0.2
80.05064	0.3
81.03420	0.3
81.07064	0.3
84.05630	0.5
84.08137	1.1
88.07627	3.9
88.08754	2.5
89.03895	0.3
97.07657	0.4
98.06013	0.3
98.09701	13.0
98.97594	12.6
104.08421	0.3
109.10154	0.9
111.32442	0.2
112.07619	0.3
115.08771	0.3
116.98619	4.8
117.03362	0.4
127.08694	0.5
130.06503	0.4
134.09647	0.2
134.99634	1.3
138.05133	0.2
138.10280	1.2
140.14349	7.0
149.11769	0.3
158.06006	1.1
158.08119	0.5
158.09337	0.9
158.12910	24.6
158.15405	100.0
177.32477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.4
57.03803	0.2
57.07068	1.2
69.03429	0.2
72.04500	1.6
74.93837	2.2
75.93670	0.2
78.58681	0.2
84.04500	0.5
84.25246	0.2
85.10177	3.1
95.08604	0.5
98.06036	0.5
98.96964	0.4
98.97588	9.3
102.09173	2.4
112.07600	0.6
113.09635	0.5
114.09161	0.4
115.96431	2.6
116.10734	1.9
116.96784	1.3
116.98600	4.3
128.07109	0.2
130.06503	0.3
133.97481	0.4
134.99631	1.6
140.00240	0.3
140.07036	0.3
155.25923	0.2
158.08119	1.3
158.09641	1.6
158.15401	100.0
161.87769	0.2
171.54230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.4
57.04566	0.8
70.06596	26.2
71.04997	55.0
71.06118	29.9
73.37878	0.5
82.06557	0.4
84.04487	1.0
84.08155	3.0
88.07099	0.8
88.07632	19.9
88.08755	12.0
89.03919	2.6
98.06032	1.9
98.09684	4.8
98.97584	22.2
112.07602	1.7
116.07065	0.5
116.97239	0.6
116.98621	8.9
117.03358	2.6
126.10230	0.4
127.08669	5.3
130.06522	2.2
134.99646	2.1
140.07086	0.4
140.14319	0.8
158.06075	3.6
158.08089	1.9
158.11868	4.0
158.12885	100.0
158.15385	26.4
172.98984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49395	0.1
56.96565	0.5
58.21165	0.1
62.24644	0.1
70.06593	0.2
72.08138	0.6
74.93768	0.1
84.04494	0.2
84.08181	0.1
87.07425	0.2
89.03935	0.9
91.05470	0.1
92.17833	0.1
95.08558	0.1
98.06035	0.1
98.97587	11.9
109.31339	0.1
112.07590	0.2
115.05466	0.2
116.98611	4.4
116.99437	0.2
117.03364	1.4
120.67236	0.1
128.46349	0.1
130.06516	0.3
134.99640	1.1
140.00221	0.2
143.07288	0.7
158.09648	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51522	0.1
56.96557	0.2
70.06585	0.1
77.04060	0.1
84.04504	0.3
84.08163	0.1
89.03901	0.6
91.05486	0.1
91.69269	0.1
98.97587	4.4
112.07660	0.2
113.65511	0.1
115.05433	0.3
116.98627	1.9
117.03384	0.3
117.12212	0.1
127.92672	0.1
130.06516	0.6
131.07317	0.2
134.99637	0.5
142.06493	0.1
143.07339	0.6
158.09656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59780	0.3
54.80663	0.4
56.96569	0.6
59.04990	0.3
70.06587	0.4
91.05473	0.4
92.11993	0.4
98.06084	0.6
98.97592	14.8
102.09188	0.3
112.07603	1.3
115.05418	0.4
116.07143	0.5
116.98642	6.2
117.05775	0.7
117.06995	1.5
129.68146	0.3
130.06534	2.4
134.99648	2.9
140.07092	0.7
143.07283	5.5
143.08199	0.4
154.33508	0.3
158.06151	3.3
158.09653	100.0
158.15378	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	158.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07763	0.4
52.36913	0.4
56.96555	1.0
65.83312	0.4
67.72571	0.5
69.44879	0.6
70.57329	0.5
74.93820	1.2
98.97586	18.3
112.07624	1.0
115.96423	2.2
116.98619	8.4
117.06990	0.6
120.13943	0.5
130.06520	1.2
134.99664	3.0
143.07307	7.6
152.36449	0.6
158.09651	100.0
158.15405	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	158.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11167	0.2
56.96560	0.3
62.22324	0.2
74.07344	0.2
77.03698	0.2
98.96957	0.4
98.97592	7.6
99.53578	0.2
100.06711	0.3
115.05428	0.5
116.98615	3.7
117.05753	1.2
117.07024	1.3
126.40268	0.3
130.06526	1.0
134.99681	1.0
143.07318	7.2
143.08418	0.2
158.09656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	6.2
58.06613	0.6
59.07386	1.0
70.06591	18.6
71.04997	1.3
71.06091	0.6
71.06939	0.6
84.05616	3.8
84.08141	0.5
88.08735	0.6
94.06612	0.4
95.06095	0.5
98.06039	1.0
98.97587	100.0
103.00620	2.4
110.07177	0.5
112.08726	20.6
113.07115	1.2
115.08672	1.1
116.07087	9.4
116.98620	39.6
121.01670	4.3
125.15059	0.5
131.55278	0.7
134.99658	9.5
135.03186	1.0
137.55127	0.6
139.02698	1.0
140.00232	0.9
140.07051	0.8
141.06577	1.9
144.03229	4.1
146.55698	9.8
153.00749	0.6
155.56197	1.1
158.01266	0.6
158.09245	64.1
158.11499	1.5
158.11833	1.7
158.12827	5.8
158.15410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46979	0.7
52.60015	0.8
53.86987	0.7
55.13267	0.7
56.96558	1.4
63.02590	0.8
68.36280	1.0
69.09012	1.0
70.06231	1.5
70.06590	24.9
74.09706	0.9
78.54372	0.8
80.37049	0.9
81.27888	0.9
84.23494	0.9
89.39719	0.9
98.97589	32.7
99.04469	1.2
102.91075	0.8
112.08733	35.6
113.07121	1.3
115.08699	1.7
116.07084	16.9
116.98626	21.2
134.99626	6.5
141.06583	2.1
158.04042	10.1
158.09248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55212	0.1
55.56828	0.2
64.94245	0.1
70.95848	0.8
72.93797	2.5
73.93837	1.4
74.06078	0.4
74.22626	0.2
89.24621	0.2
90.94824	0.8
96.04477	0.4
96.05328	0.2
110.07138	1.2
111.98486	0.4
113.96417	1.8
114.96558	1.3
128.06264	0.3
129.07069	0.3
131.97406	0.4
132.95865	2.0
132.97581	0.3
150.96861	1.7
152.46312	0.2
156.08089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0423
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
53.97608	0.4
57.65121	0.5
68.60493	0.6
74.09729	13.7
92.23885	0.5
96.96898	1.4
110.07167	5.7
112.05282	7.4
112.16180	0.6
125.25562	0.5
130.06305	14.0
141.04338	0.6
156.04222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63863	0.3
55.05520	1.6
57.07086	66.7
58.76813	0.4
65.20684	0.4
67.05508	3.2
68.15871	0.4
69.07062	0.9
71.04993	0.9
72.93794	66.9
79.85823	0.5
80.92133	0.4
81.07064	14.0
85.06554	14.2
87.59846	0.5
90.94833	12.6
93.07044	0.9
95.04972	2.2
95.08620	7.3
99.08089	2.6
101.93276	0.4
108.88750	0.5
109.06527	0.6
109.10192	4.2
112.52608	0.4
113.96405	100.0
114.09158	0.8
116.95732	0.5
123.04517	0.4
131.97441	23.7
137.02310	0.7
137.09628	1.9
137.13284	1.6
154.98943	0.6
155.07053	0.8
155.08557	2.3
155.10678	1.9
155.14340	7.9
164.79776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07919	0.8
60.08175	15.6
60.35962	0.6
64.02626	0.7
68.05031	1.4
74.88779	0.7
95.06095	67.2
95.86486	0.7
134.13402	0.7
154.13394	100.0
161.90108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51877	0.8
60.07876	0.9
60.08171	16.0
62.97617	0.6
67.98665	0.6
79.80822	0.9
95.06099	67.1
97.58173	0.7
98.80454	0.8
130.21829	0.9
130.62489	0.8
154.13397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1228
Annotation	pseudo-Pelletierine
Peak:m/z	Relative Intensity
53.36148	0.5
53.78714	0.5
54.46257	0.5
55.01868	0.8
55.05504	0.6
58.06595	2.3
60.08171	4.2
67.05493	0.8
67.57856	0.5
69.03441	0.7
69.07073	25.8
71.94120	0.9
75.42376	0.6
75.53256	0.6
83.05007	0.6
83.08622	1.3
84.04512	4.1
88.14742	0.6
92.16330	0.6
95.06087	13.4
97.06526	13.6
98.06076	0.9
98.09684	3.8
106.65048	0.7
110.05649	0.7
112.07632	2.6
120.37397	0.6
126.05587	0.8
126.09149	27.0
130.96313	2.4
131.01888	0.8
141.24797	0.6
148.97380	0.9
154.05002	1.3
154.12279	100.0
154.13403	14.4
164.02950	0.7
168.30611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0912
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
50.86747	0.6
51.05684	0.6
52.48096	0.5
52.96157	0.6
53.03956	0.6
55.01876	2.5
55.05536	1.0
56.94826	0.5
62.27779	0.6
65.03944	0.8
67.05491	4.4
69.03440	6.9
70.94257	1.4
70.95852	1.6
75.04462	0.8
79.05495	10.8
81.07062	4.3
83.04973	2.9
83.08633	1.0
83.88697	0.6
88.26100	0.6
88.95319	0.7
91.05494	10.3
93.03419	1.1
93.07050	33.9
95.04979	14.6
97.06527	1.0
101.76110	0.7
105.07043	3.8
107.04924	1.4
107.08606	29.2
109.06503	4.1
111.04442	3.5
111.08089	100.0
111.96874	4.7
111.98457	1.4
115.05439	1.1
117.07041	6.2
125.09624	5.2
135.08067	71.0
138.06813	0.8
153.09111	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	153.0549
Annotation	Vanillin
Peak:m/z	Relative Intensity
53.29810	0.2
55.01887	0.4
55.05518	0.6
65.03951	34.4
66.86935	0.3
67.05513	1.7
69.07063	0.5
70.94267	4.8
70.95868	3.0
79.05498	3.6
81.07056	2.3
82.37682	0.3
83.05000	0.4
88.95302	1.3
88.96898	0.7
89.00248	0.8
91.05482	1.6
93.03409	68.7
93.07048	8.2
95.04978	1.6
95.08608	1.9
97.06534	1.8
98.00760	0.6
100.51059	0.7
101.85364	0.3
106.44064	0.4
107.04952	1.3
107.08607	8.3
107.81697	0.3
109.10189	0.8
110.03659	9.2
111.04447	100.0
111.08064	2.9
111.96873	6.6
111.98498	1.7
117.07030	0.7
121.06490	2.9
125.05992	79.6
125.09599	2.6
125.47977	0.3
129.97884	2.2
134.06017	1.3
135.08057	3.8
135.11702	1.9
138.06699	0.5
151.90550	0.3
153.05472	34.3
153.06506	1.6
153.09108	5.9
153.10239	0.8
153.12750	2.8
154.21001	0.3
156.60025	0.3
170.03571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	Vanillin
Peak:m/z	Relative Intensity
51.98731	0.4
53.03954	0.6
60.62603	0.5
60.68233	0.5
63.66968	0.5
65.03642	0.9
65.03952	15.7
65.87514	0.6
67.05492	2.8
69.03433	0.5
69.07060	0.7
69.92836	0.5
70.94263	7.8
70.95856	5.7
71.46449	0.6
75.04498	0.5
75.36888	0.6
76.06424	0.5
79.05466	2.4
82.04202	2.3
88.95300	1.3
88.96889	0.9
89.00270	5.8
89.64506	0.5
92.02602	0.9
92.17815	0.7
93.03407	11.6
93.07042	0.7
94.04169	2.3
95.04983	8.5
97.06522	3.9
98.00784	4.9
98.17511	0.7
99.51260	0.6
100.51038	7.4
101.63091	0.5
105.04535	0.7
107.08582	1.3
109.10156	0.6
109.51534	0.9
110.03661	32.9
111.03659	0.8
111.04446	20.7
111.08077	0.6
111.96870	12.5
111.98450	1.2
117.95930	0.6
118.85043	0.5
121.04001	0.7
123.04404	1.0
125.05994	100.0
129.97903	2.4
133.01460	0.6
135.05576	4.4
135.96992	1.0
140.84787	0.5
153.05460	27.3
153.06573	2.3
153.09135	3.0
153.10219	0.8
153.12729	1.2
154.54625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20108	0.2
109.05161	0.8
110.03529	4.6
128.04602	1.6
134.05978	0.3
135.03036	8.3
136.01396	0.3
152.05687	100.0
153.04080	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.1071
Annotation	Mearsine
Peak:m/z	Relative Intensity
52.07280	0.8
55.01869	1.6
62.66731	0.7
67.05511	8.4
79.05504	5.5
84.04499	4.6
84.08122	1.7
89.06150	0.8
91.05520	1.5
93.07035	7.4
95.08613	4.0
95.75759	0.8
98.09691	3.3
106.06475	0.9
107.04943	2.0
107.08591	5.2
109.10159	9.3
110.06033	4.1
110.09616	0.9
110.86585	0.8
117.06996	4.3
124.11234	4.2
127.58079	0.8
134.09665	20.3
135.08063	15.4
152.10704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.057
Annotation	Guanine
Peak:m/z	Relative Intensity
50.98787	0.2
53.48129	0.2
55.03025	0.2
55.32730	0.2
83.64848	0.2
109.05145	0.6
110.03529	3.7
128.04567	1.4
135.03035	10.3
146.54489	0.3
152.05681	100.0
153.04086	9.6
154.78006	0.3
170.60249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.112
Annotation	Ipsdienone
Peak:m/z	Relative Intensity
53.03955	0.2
55.05524	7.7
57.03420	0.1
57.07079	0.1
65.03935	0.1
67.05511	0.9
67.95951	0.1
68.01624	0.1
68.95296	0.1
68.96336	0.1
69.03437	0.5
69.07083	0.3
79.05488	0.3
81.07064	2.2
83.04991	100.0
87.00462	2.3
89.06001	0.1
89.46606	0.2
91.05489	1.8
93.07054	1.1
95.04961	0.9
95.08617	1.5
96.00992	0.2
98.51262	1.0
105.07047	1.7
107.08595	1.2
109.06530	2.0
109.10168	1.2
113.96416	0.5
119.04978	0.7
123.04476	0.1
123.08077	0.8
123.11729	1.5
133.06473	0.2
133.10143	1.6
133.51408	0.1
151.03946	1.9
151.05016	0.3
151.07570	2.7
151.08638	0.3
151.11194	5.1
151.12364	0.2
151.14795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0756
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
55.01870	1.1
57.03446	0.5
60.13169	0.4
65.03936	3.3
65.86084	0.4
66.14363	0.5
67.05499	3.4
72.84251	0.6
73.11858	0.4
77.03905	0.6
79.05495	2.8
81.03411	0.8
81.07052	4.2
85.02886	0.6
86.32740	0.5
89.06024	2.4
91.05485	77.1
93.07046	1.2
94.61185	0.5
95.04975	14.4
95.08606	2.5
97.81953	0.5
101.14630	0.6
105.07030	7.6
107.04951	0.8
107.08609	2.1
107.47614	1.0
108.02093	0.8
108.08107	1.3
109.02958	0.7
109.06513	7.5
109.10170	2.4
119.04946	65.3
120.78819	0.5
121.06512	0.6
123.04423	2.6
123.08059	5.2
123.11673	2.5
132.95810	0.7
133.06508	2.7
133.07533	0.6
133.10100	0.8
136.05208	9.1
137.05998	7.0
141.05482	3.6
146.03200	0.6
151.03908	37.5
151.05038	10.1
151.07547	100.0
151.08571	4.7
151.11075	4.0
151.12238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.13322	0.3
51.33240	0.4
52.43570	0.4
53.39783	0.3
62.30755	0.3
65.03954	2.6
65.22076	0.4
79.05503	0.7
88.76140	0.4
91.05481	81.1
95.04968	14.7
95.06916	1.6
107.06882	0.4
108.05686	0.5
119.04937	74.5
123.06411	1.7
123.08082	1.8
132.95787	0.7
136.05193	10.7
137.05966	5.2
151.03891	1.5
151.05910	4.5
151.07541	100.0
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	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.03962	0.3
53.03947	0.6
55.01875	1.5
55.05507	0.3
56.96563	0.6
57.03437	0.4
65.03951	4.1
67.05515	6.8
68.94352	0.7
68.95288	0.4
68.96340	1.4
69.60281	0.3
76.38249	0.3
77.03938	0.4
77.41285	0.3
79.05500	2.7
80.01403	0.5
80.02615	0.3
80.05038	0.3
81.03416	0.7
81.07066	1.9
83.04984	0.4
86.06908	0.3
89.06034	1.5
91.05484	30.5
93.07054	1.6
95.01344	0.3
95.04972	8.3
95.08607	3.1
98.47075	0.3
98.97552	0.5
104.04247	0.3
105.03387	0.5
105.04520	1.1
105.07051	6.4
106.07324	0.5
107.04939	2.7
107.08620	2.1
108.02094	6.0
108.08112	2.1
109.02863	1.5
109.06504	1.9
109.10153	0.6
109.99055	0.4
111.04436	0.8
119.01787	0.4
119.04944	32.5
121.06554	0.4
122.05138	0.4
123.04436	4.5
123.08054	3.6
123.11739	0.5
128.02281	0.8
128.32861	0.3
132.95842	1.8
133.02882	0.7
133.06503	2.6
133.07536	0.5
133.10138	0.7
134.09656	0.8
134.62453	0.3
136.01563	0.8
136.05174	1.7
137.05980	2.3
141.05481	9.6
150.96872	1.8
151.03912	100.0
151.05052	25.7
151.07542	16.4
151.08673	3.9
151.09668	0.6
151.11201	3.4
151.12306	1.3
154.02541	0.4
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	Piperonal
Peak:m/z	Relative Intensity
53.03964	0.4
55.01871	1.7
65.03972	2.7
67.05515	6.8
77.03931	0.6
78.98304	0.3
79.05502	1.3
79.14760	0.3
81.03406	0.3
81.07056	1.9
87.00495	0.4
91.05473	3.3
93.07052	1.5
95.04977	4.8
95.08626	1.9
98.51270	0.4
104.22003	0.3
105.04504	0.4
105.07039	2.5
107.08614	1.4
108.02116	6.0
109.02913	1.5
109.06522	2.2
109.10183	0.7
111.04447	1.7
119.04939	1.7
121.04050	0.3
123.04418	1.9
123.08091	2.5
124.13843	0.3
133.06496	0.5
133.10172	0.5
136.01559	0.5
141.05481	9.1
151.03918	100.0
151.05060	28.8
151.07460	4.2
151.11186	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	150.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02253	0.1
56.05046	16.3
56.96580	0.1
57.03456	0.2
58.06611	5.5
58.99890	0.1
59.07391	5.1
61.01161	6.7
67.05537	0.2
68.05027	0.1
69.03448	0.2
70.06602	1.9
72.28894	0.1
72.93798	1.8
73.02953	0.1
74.02461	1.3
74.06092	1.3
75.02730	0.1
77.00938	0.8
82.01456	0.1
84.04509	1.3
84.08156	0.2
85.01454	0.1
85.02894	0.8
86.04962	0.2
86.06081	0.8
87.02702	2.2
87.04501	0.4
88.07639	8.5
90.05563	0.2
90.94839	1.1
93.53497	0.2
94.06578	0.9
95.01962	0.1
100.02494	0.5
100.11277	0.6
102.02451	0.2
102.03658	0.2
102.05550	5.5
103.02462	0.6
104.05337	17.7
104.07124	0.8
104.67280	0.1
105.00083	0.4
105.03750	0.2
105.07059	0.8
107.07234	0.1
109.05212	0.1
113.96401	3.3
114.01631	0.2
114.05512	0.1
114.55807	0.5
115.02454	2.0
116.10760	0.4
116.57370	1.6
118.03567	0.2
118.12286	1.3
119.97558	0.1
120.55771	0.5
122.06050	0.7
123.56319	5.9
124.06428	0.2
125.57883	3.0
129.56305	10.8
130.01141	0.2
130.06456	0.2
131.01938	0.9
131.96188	0.2
131.97437	1.2
132.02774	0.8
132.05124	0.1
132.06613	0.2
132.10213	1.4
132.56847	9.9
133.03209	12.5
133.06920	0.7
134.58412	1.3
135.07135	0.2
137.08696	0.1
138.56837	100.0
139.06940	5.7
139.57010	0.2
141.07101	0.2
141.57347	0.2
143.01863	0.2
144.02728	0.1
144.07678	0.2
144.10173	1.1
145.03419	0.2
145.57623	1.2
147.57344	1.4
149.94077	0.2
149.97150	0.2
150.05688	3.3
150.07703	9.2
150.08939	0.4
150.10213	0.2
150.11243	3.4
150.57692	0.2
151.04425	0.1
168.06496	0.4
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	2,3-Dihydroxyindole
Peak:m/z	Relative Intensity
53.03965	1.0
54.09134	0.2
56.04829	0.2
56.05048	3.2
56.15086	0.2
56.96561	0.3
58.06637	0.8
59.07386	1.1
61.01152	1.8
65.03940	1.1
67.05176	0.4
67.05512	7.8
67.93564	0.2
70.06598	3.1
70.53268	0.2
72.08156	0.3
72.93770	1.2
79.05493	1.0
81.03405	0.4
84.04534	0.4
86.09731	0.2
87.02676	0.3
88.07626	9.2
91.46410	0.3
93.05769	0.3
94.06570	34.9
95.04972	0.5
96.04485	0.4
100.02499	0.4
102.05562	1.1
104.05331	4.0
106.06561	12.1
109.05170	1.1
113.96423	1.9
116.57356	0.3
122.06027	26.9
123.56338	0.6
124.72665	0.2
125.57899	0.5
129.56306	0.5
131.96109	0.5
132.10286	0.4
132.56824	1.8
133.03185	2.9
133.05064	2.5
134.58388	0.3
138.56834	20.4
139.06934	0.4
148.03912	0.6
149.97209	0.4
150.05525	100.0
150.07764	92.6
150.11086	3.2
168.06558	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	150.0552
Annotation	2,3-Dihydroxyindole
Peak:m/z	Relative Intensity
53.03952	1.0
65.03945	1.1
67.05511	8.3
67.74841	0.2
67.93584	0.3
69.03438	0.2
70.00116	0.2
79.05495	1.4
81.03449	0.3
83.10475	0.2
91.30295	0.3
94.06572	35.3
95.04960	0.2
105.04521	0.3
105.07014	1.8
106.06567	11.4
109.02847	0.4
112.85223	0.3
113.96397	0.5
122.06031	24.7
132.04428	0.3
150.05511	100.0
150.09149	1.8
168.06573	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05522	4.9
56.23288	0.4
57.07085	6.0
65.03951	0.8
65.06476	0.4
66.73835	0.3
67.05511	1.7
68.31706	0.4
69.07073	20.4
74.86446	0.4
79.05496	9.6
79.05912	0.7
81.07063	6.5
81.81434	0.4
83.08600	0.7
91.05477	10.1
92.18534	0.5
93.07047	38.7
95.04969	2.8
95.08609	2.1
103.05470	0.9
105.04504	0.5
105.07039	12.9
106.04153	0.4
107.04945	0.7
107.08599	100.0
108.04489	1.0
108.08092	0.5
108.09394	0.7
109.06539	3.1
119.06083	0.8
119.08582	3.3
121.02866	3.8
121.06525	3.1
121.10145	63.5
123.08064	0.9
130.99335	0.4
131.04924	0.7
131.08563	1.7
133.07672	0.5
133.10168	1.1
134.10915	2.2
139.32384	0.4
142.08537	0.5
143.60938	0.5
149.02348	12.1
149.03464	1.1
149.04878	0.7
149.05986	8.7
149.07101	0.8
149.08411	0.8
149.09630	19.5
149.13263	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	149.1327
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
50.49321	0.4
53.03968	0.5
55.05520	5.2
55.95047	0.4
56.24438	0.4
57.07084	6.3
58.42533	0.4
61.30022	0.4
67.05510	1.1
69.07076	20.4
77.03967	0.5
78.72675	0.5
79.05508	10.0
81.07059	7.9
83.08630	2.2
85.51852	0.5
91.05487	12.3
91.67871	0.4
93.07049	43.9
95.04969	2.4
95.08606	2.4
103.05480	2.7
105.03434	1.9
105.07043	12.5
106.04137	1.0
106.39327	0.5
107.08602	100.0
108.08127	1.9
108.09377	1.2
109.06517	3.0
114.90842	0.5
119.06069	0.9
119.08578	3.2
120.09377	0.6
121.02867	2.2
121.06500	3.9
121.10147	70.1
123.08052	1.1
131.04935	5.9
131.08595	1.0
133.07596	0.7
133.10155	0.8
134.03575	0.6
134.10890	0.8
149.02368	11.0
149.04930	2.0
149.06007	9.4
149.09648	9.7
149.13263	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.49867	0.8
53.70035	0.8
54.11969	0.7
55.05513	0.9
55.76874	0.8
56.26367	0.8
58.95135	0.7
65.03933	5.1
67.02992	21.8
67.05177	1.3
67.05511	22.5
67.58953	0.9
69.07066	6.5
79.05499	13.8
81.04553	3.8
81.07063	46.3
83.08624	4.4
91.05463	2.3
92.97255	0.9
93.07047	40.2
95.04942	1.1
95.06069	1.0
95.08598	6.0
106.04117	1.3
107.06065	2.2
107.08595	37.7
108.04473	4.6
108.05603	9.7
108.06871	7.9
108.08102	10.9
110.76126	1.0
111.04414	1.3
121.02867	24.2
121.03959	1.7
121.10161	18.0
122.07157	17.9
126.05534	1.6
132.05446	0.9
140.08189	6.2
149.02348	100.0
149.05997	2.0
149.07103	4.3
149.08234	43.2
149.09546	7.1
149.10701	1.8
149.13257	82.9
150.06596	1.3
162.57327	1.0
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	Ectocarpene
Peak:m/z	Relative Intensity
54.36260	0.8
54.44558	0.9
55.05506	1.3
58.48203	0.7
61.56808	0.9
65.03947	1.4
66.11898	0.8
67.05515	20.0
69.07061	6.1
70.47263	1.0
72.83903	0.9
73.37676	1.0
79.05502	16.4
81.07069	44.8
83.08620	1.9
87.73397	0.9
91.05479	7.1
93.07049	42.4
95.08597	5.4
105.07062	1.1
107.08599	43.1
108.04485	1.9
121.02872	6.3
121.06525	1.6
121.10143	19.7
131.04953	1.2
134.80901	1.0
149.02357	30.5
149.03506	2.2
149.05992	2.2
149.09637	8.1
149.13263	100.0
156.14919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
55.05521	1.2
59.93444	0.5
64.53291	0.5
65.03940	4.0
67.02992	1.3
67.05186	1.1
67.05514	24.0
68.77737	0.7
69.07069	6.8
79.05071	0.7
79.05501	15.2
81.07064	54.7
83.08613	3.1
91.05481	2.5
93.03416	1.2
93.07050	39.0
95.04988	0.8
95.08601	6.9
101.97750	0.5
105.07051	1.1
107.08601	36.8
108.04482	2.2
108.05606	2.5
108.06873	2.3
108.08128	4.9
121.02864	13.3
121.03962	2.8
121.09347	1.0
121.10149	16.6
122.07146	3.6
131.08705	0.7
147.11752	0.8
149.02353	61.3
149.05972	2.3
149.07104	1.7
149.08234	12.1
149.09586	4.0
149.13263	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
55.05504	2.1
57.59071	0.8
65.03938	3.9
67.05178	1.2
67.05510	26.7
69.07073	6.2
78.06870	1.4
79.05500	17.3
81.07064	48.6
83.08620	3.5
86.25948	0.9
91.05478	4.0
93.03349	0.9
93.06456	1.7
93.07045	48.6
95.04926	1.8
95.08591	6.0
98.76515	0.8
105.07034	1.8
107.04947	3.7
107.08595	44.3
108.04478	5.2
108.05584	0.9
108.08085	7.7
111.04488	0.9
115.44420	0.8
121.02857	10.7
121.03994	1.7
121.06474	1.5
121.10149	14.3
126.05514	4.4
149.02351	51.8
149.05989	5.2
149.07092	2.0
149.08238	5.1
149.09615	13.5
149.13258	100.0
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	Ectocarpene
Peak:m/z	Relative Intensity
55.93053	1.1
65.03941	6.5
67.02995	5.9
67.05508	6.4
68.04985	1.1
68.98029	0.9
69.07060	5.8
79.05496	12.6
81.04533	1.7
81.07064	23.4
83.08580	1.2
85.97998	0.8
91.05468	1.8
93.03448	3.6
93.07048	35.7
95.08612	1.8
105.07026	1.2
107.06087	1.8
107.08604	33.9
108.04491	2.1
108.05592	5.9
108.06867	4.3
108.08091	9.8
109.06436	1.2
110.98519	1.2
111.04436	1.4
121.02873	23.6
121.03942	2.2
121.06506	1.4
121.10153	14.2
121.47835	1.0
122.07173	10.2
123.08089	1.3
133.73517	0.9
140.08203	4.9
149.02351	100.0
149.06015	1.7
149.07118	2.6
149.08232	29.2
149.09543	5.3
149.10706	1.5
149.13264	60.1
168.41530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0964
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03942	0.3
55.01881	1.2
55.05521	2.3
60.05648	0.5
65.03941	0.7
67.05503	1.2
69.03429	1.5
69.07075	1.1
72.08163	5.6
77.03902	0.3
78.04728	0.4
78.06900	13.8
79.05124	0.4
79.05506	5.4
81.07058	2.0
83.08620	0.4
84.05639	3.4
84.06375	0.3
91.05487	6.6
93.07051	22.6
95.04958	2.0
97.10151	0.3
98.09676	0.3
101.38549	0.3
103.05482	1.5
105.07039	9.0
106.04172	1.4
107.04970	1.3
107.08601	6.4
108.04484	1.8
108.08087	1.0
109.06518	0.7
114.10281	0.5
116.05405	0.5
116.06256	1.5
119.08604	1.8
121.02866	2.8
121.03905	0.4
121.06516	7.7
121.10152	23.9
123.08087	2.0
125.09622	0.4
126.05608	0.3
129.07019	0.5
131.04933	1.1
131.08571	7.1
133.07613	0.5
133.18250	0.3
134.03644	0.5
138.10306	2.6
149.02359	12.1
149.03494	0.6
149.06059	6.0
149.09630	100.0
149.13228	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03942	0.3
55.01875	1.3
55.05511	0.5
55.87978	0.2
60.05643	0.5
62.84047	0.2
65.03927	0.4
68.35652	0.2
69.03438	3.3
72.08158	1.5
76.53110	0.2
77.03893	0.4
78.06895	0.3
79.05504	4.3
81.07048	1.0
89.03912	0.4
91.05486	14.6
91.06052	0.5
93.07051	13.6
95.04971	1.7
95.08578	0.3
99.40985	0.2
100.78980	0.2
103.05445	2.3
105.04566	0.3
105.07042	13.3
106.04166	0.5
106.07812	1.2
107.04963	4.2
107.08603	3.3
108.04487	0.4
109.06512	3.6
114.10299	0.3
115.05465	1.3
116.06237	5.9
117.03383	0.5
119.08568	2.6
121.02924	1.6
121.04000	0.2
121.06512	14.9
121.10147	27.4
123.08082	3.5
129.07031	3.2
131.04959	0.5
131.08572	20.7
133.06604	0.4
133.07617	1.4
134.07262	1.1
134.09692	0.8
147.08101	2.0
148.11203	0.4
149.02359	5.6
149.06032	7.9
149.09627	100.0
149.13281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0964
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03949	0.3
54.28851	0.3
55.01871	0.5
55.05502	0.4
65.03929	0.3
69.03436	1.4
74.75467	0.3
77.03904	0.6
78.04691	0.4
79.05495	5.1
81.07052	1.5
91.05480	9.7
93.07050	32.0
95.04950	2.5
99.07854	0.3
103.05482	2.5
105.04523	0.6
105.07036	7.9
106.04176	2.8
107.04942	0.6
107.08603	6.2
109.06509	0.6
119.08600	0.6
121.02908	1.3
121.03884	0.3
121.06499	6.2
121.10148	25.6
123.08064	1.5
128.02263	0.4
128.62138	0.3
131.04933	0.7
131.08557	2.9
131.49469	0.4
134.03664	0.6
149.02342	7.1
149.06021	8.7
149.09625	100.0
149.13232	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03958	2.8
55.01879	1.9
55.05515	0.6
65.03933	4.6
69.07063	1.3
77.03925	1.3
78.04720	10.0
79.05486	5.8
81.07056	1.0
89.03917	4.6
91.05485	47.9
91.18266	0.8
91.96957	0.9
93.03376	0.8
93.07053	28.1
95.04973	14.9
98.20447	1.0
103.05477	14.4
105.03393	1.7
105.04508	5.9
105.07044	6.5
106.04184	63.6
107.04976	6.7
107.08598	10.6
108.04468	1.9
109.06530	4.6
117.03371	3.4
119.05005	1.1
119.08563	1.3
121.02872	2.9
121.06511	72.2
121.10149	19.1
122.83960	0.9
122.97664	0.7
123.08094	0.9
124.05216	1.6
131.04973	2.5
131.05971	1.6
131.08583	7.2
134.03662	15.4
135.04428	1.4
149.02365	19.3
149.05991	100.0
149.09628	83.4
149.13266	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	149.0599
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
53.03950	0.8
54.55481	0.5
55.01880	3.0
55.05512	1.1
57.03438	0.5
59.50906	0.5
60.43267	0.5
65.03941	5.8
67.11426	0.5
69.03425	1.4
72.08144	2.4
78.06886	2.6
79.05494	7.8
79.20500	0.6
81.07057	1.3
83.04979	0.7
85.04792	0.9
85.28036	0.7
89.03923	19.8
91.05481	12.0
93.03391	3.1
93.07045	24.6
95.04969	4.0
99.03760	0.6
103.05466	11.8
105.03378	0.7
105.07034	11.0
106.04191	3.3
107.04958	11.3
107.08607	10.5
108.04461	2.1
108.08147	0.8
109.06504	0.8
111.04456	1.1
116.06226	0.9
117.03378	23.3
118.53369	0.6
119.08551	1.0
121.02867	17.5
121.03961	3.5
121.06506	21.0
121.10133	11.5
124.05264	0.9
129.07025	1.1
131.04927	34.5
131.08563	10.9
134.03629	6.2
135.04420	3.6
138.10258	0.8
149.02350	76.9
149.03343	2.9
149.05986	100.0
149.06964	3.7
149.08437	2.1
149.09618	38.3
149.10706	2.6
149.13268	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	149.0598
Annotation	Dihydrocoumarin
Peak:m/z	Relative Intensity
53.03957	0.4
55.01873	2.8
69.03422	1.7
72.08153	0.7
78.04749	0.4
78.06881	2.8
79.05502	5.7
81.07050	0.7
89.03953	0.6
91.05481	9.5
93.07047	10.9
95.04962	3.1
103.05478	4.2
104.21715	0.5
105.07037	6.4
106.04172	1.6
107.04959	81.4
107.08607	2.4
108.08128	0.5
109.06499	0.8
115.05474	0.4
116.06237	2.3
121.02874	2.5
121.04028	0.5
121.06505	33.4
121.10139	13.2
123.08118	1.5
129.06992	0.9
130.81398	0.4
131.04909	1.7
131.08562	9.4
133.07582	0.6
134.03641	0.4
134.09642	1.9
147.08034	0.5
149.02367	11.5
149.05984	100.0
149.09616	60.2
149.13322	1.6
161.59006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
51.02394	0.3
53.03964	0.5
55.01881	0.1
66.91862	0.1
73.42300	0.1
75.74767	0.1
77.03922	1.3
79.05503	48.4
91.05489	3.0
93.07050	17.0
95.04967	3.3
103.05478	100.0
104.05814	0.2
105.04519	1.0
105.07040	2.5
107.04964	54.0
121.02816	0.2
121.06508	11.2
131.04936	11.2
149.02350	0.7
149.05988	7.3
164.78384	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	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15564	0.6
56.83833	0.6
59.50734	0.5
60.70884	0.6
67.49667	0.5
72.08157	2.9
78.04729	1.4
89.03923	30.3
91.05484	5.1
93.07030	2.7
103.05487	3.0
106.04169	4.3
117.03384	32.0
121.02855	1.5
121.06496	3.9
121.10140	1.3
124.05257	0.9
134.03650	11.4
135.04440	5.0
149.02379	6.7
149.05989	100.0
149.11934	0.8
155.16171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64075	0.4
53.49122	0.4
65.03951	5.4
68.56755	0.4
69.10705	0.5
72.23488	0.4
82.95050	0.4
93.03396	3.4
105.69833	0.5
111.04437	2.2
121.02874	22.2
121.03950	3.5
149.02345	100.0
164.37767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
53.03955	0.4
62.87106	0.4
78.04695	2.1
79.05485	0.6
85.91817	0.5
89.03921	29.6
91.05474	5.7
92.17872	0.5
93.07015	0.5
95.04984	2.0
97.96877	0.4
100.76541	0.5
103.05460	2.5
106.04182	5.1
107.04963	1.0
117.03378	36.0
121.06515	2.4
124.05237	0.7
134.03636	12.2
135.04419	5.2
149.02353	1.8
149.05983	100.0
161.21358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.1123
Annotation	Actinidine
Peak:m/z	Relative Intensity
50.59073	0.1
52.70534	0.1
53.03939	0.1
55.05524	0.1
56.05031	0.6
56.56404	0.1
56.96566	0.2
60.04535	6.3
60.05638	0.2
70.98087	0.2
71.08286	0.2
71.08640	4.3
72.08179	1.0
74.06081	1.1
78.06878	0.8
79.05496	1.0
84.04512	12.0
84.05607	0.3
84.08171	0.2
85.02906	0.1
85.04842	0.7
88.03981	0.6
88.07631	0.2
89.90160	0.1
91.05475	1.3
92.05817	0.2
93.07036	0.3
95.02115	0.2
95.08617	0.2
96.01512	0.2
97.07653	0.2
102.05541	3.8
102.09218	0.1
103.05502	1.2
107.04966	0.8
114.10340	0.3
120.04481	0.2
120.05295	0.8
120.08121	1.6
121.35420	0.1
125.01768	0.3
130.04005	0.2
130.05000	2.9
130.06531	0.2
130.08571	0.2
130.12291	9.6
131.05042	0.6
132.08127	0.5
133.08922	1.4
138.10316	0.2
148.03842	1.7
148.04831	0.5
148.05905	1.2
148.11218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
51.68222	0.1
56.05047	2.9
56.96582	0.3
58.06609	0.1
60.05658	0.2
70.06604	1.4
71.04986	0.3
73.80173	0.1
77.27158	0.1
82.65677	0.1
84.04514	100.0
84.08157	0.3
85.02918	2.1
85.04842	3.0
85.08482	0.5
88.04007	0.2
88.07648	0.6
102.05550	28.6
102.09203	0.2
130.05011	24.1
130.08852	0.2
130.09744	1.6
131.03421	0.6
131.05367	3.5
142.65514	0.1
148.04871	0.2
148.06047	5.0
148.07504	0.5
148.09717	0.2
148.10818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	3.0
57.03431	0.1
57.94569	0.1
66.88078	0.1
69.03416	0.1
69.40061	0.1
70.06582	0.3
84.04507	100.0
85.02905	2.4
85.04825	0.8
85.08479	0.2
92.05006	0.2
92.05793	0.1
102.05545	28.7
102.09168	0.2
112.21186	0.1
119.59343	0.1
120.04500	0.2
120.05284	0.3
120.08110	0.2
130.05002	23.3
130.09802	0.2
131.01846	0.8
131.03384	0.3
131.05318	0.7
133.30257	0.1
148.03801	1.9
148.04863	0.7
148.06039	5.7
148.07529	1.0
148.08607	0.3
148.09641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	13.1
57.07088	0.3
59.05005	0.6
64.92845	0.3
65.03949	0.4
67.05530	0.5
69.07078	100.0
79.05498	0.3
84.04517	3.8
84.08147	2.0
87.00851	0.3
91.05486	12.7
103.05481	6.1
105.07037	7.0
105.07684	0.4
107.08589	0.3
108.86575	0.3
111.11720	5.8
117.07014	1.4
119.04950	15.4
119.08585	15.0
123.96452	2.8
129.06982	0.5
130.05016	1.9
130.08670	1.0
132.05759	0.5
132.09341	0.3
137.53708	0.2
145.10155	0.4
147.04422	33.5
147.08055	8.9
147.09128	0.7
147.11697	14.1
164.15388	0.2
164.70927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69625	0.2
53.74151	0.2
55.05519	4.3
64.92814	1.8
64.95563	0.2
65.03967	0.2
67.05504	1.1
69.07082	1.7
79.05512	1.9
81.07057	1.2
84.04502	1.2
84.04948	0.2
84.08142	0.3
87.00822	0.2
87.92864	0.2
91.05486	10.3
92.01905	0.2
93.07047	1.4
95.04968	0.3
103.05468	3.7
105.07041	54.0
105.95425	0.4
107.08595	1.6
115.05421	0.3
117.07037	1.8
118.06554	0.3
118.07855	0.2
119.04980	2.7
119.08586	41.0
123.96467	6.1
129.07036	0.3
130.05006	1.1
131.08565	0.4
132.07751	0.2
132.09320	1.3
135.57423	0.2
145.10133	3.6
146.08571	0.2
147.04430	17.2
147.05484	0.9
147.06775	1.4
147.08054	2.2
147.09186	2.8
147.11694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03948	0.2
55.05522	5.6
55.64921	0.2
64.92801	1.1
65.03931	0.2
67.05520	1.5
69.07080	1.4
79.05501	1.8
81.07080	1.3
84.04498	1.0
84.08154	0.4
91.05481	14.4
93.07045	1.4
103.05469	5.1
105.07037	63.4
105.95422	0.4
107.08601	2.9
117.07004	2.1
118.06575	0.4
119.04967	1.8
119.08583	57.9
123.96458	5.3
123.97301	0.3
129.07013	0.8
130.05009	0.9
131.08548	0.5
132.09331	2.3
145.10135	3.5
146.08589	0.2
147.04424	19.9
147.06746	1.5
147.08041	2.0
147.09166	2.4
147.11690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05503	1.9
64.92819	22.9
64.95562	1.8
65.03948	1.2
67.05508	9.5
69.03434	2.0
73.68756	1.2
79.05512	11.7
79.05888	1.5
81.07053	7.8
83.01350	6.6
84.04504	2.4
84.08141	5.2
91.04937	2.0
91.05486	51.0
92.01852	6.4
93.07063	2.3
103.05479	14.1
104.03179	1.2
105.06391	2.2
105.07042	50.9
105.95420	11.2
117.07019	1.7
119.04960	21.6
119.06857	1.8
119.07717	1.7
119.08581	49.3
123.96457	100.0
130.04987	1.7
136.11986	1.8
146.98048	7.3
147.04422	68.8
147.05510	6.6
147.06680	2.1
147.08006	8.8
147.11693	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05511	2.3
64.92810	0.6
65.03920	0.5
67.05494	0.6
67.79942	0.3
69.07078	0.5
70.39221	0.3
73.73199	0.3
75.98888	0.4
79.05480	2.2
81.07065	0.7
84.04501	1.5
84.08179	0.4
87.00863	0.4
91.05482	16.3
95.04982	0.7
96.57023	0.4
98.34200	0.4
103.05474	26.2
104.18378	0.4
105.07039	32.0
105.95451	0.6
107.08598	0.3
117.07007	0.5
119.04942	1.8
119.08578	25.5
123.96465	4.7
125.34875	0.3
129.06981	2.2
130.05022	0.9
132.09328	0.5
137.68874	0.3
145.10143	1.6
147.04419	100.0
147.08069	9.1
147.11694	51.2
153.87454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
54.62191	0.4
55.01871	0.5
55.05515	0.5
64.92790	0.7
65.03947	0.9
66.40182	0.4
69.07064	1.0
84.04511	2.3
84.08129	1.0
85.89145	0.4
91.04935	0.8
91.05486	24.7
95.04979	0.5
103.05470	5.6
104.06276	0.9
105.07031	5.3
107.04971	0.9
108.32642	0.4
112.38156	0.5
115.05434	4.8
117.07037	4.2
119.04945	40.2
119.08588	14.5
119.09418	0.5
121.39186	0.4
123.96453	5.1
129.06958	1.5
130.05011	2.3
132.02080	0.6
132.05699	8.8
144.98332	0.4
147.04422	66.0
147.05478	2.6
147.08051	100.0
147.11691	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	147.0442
Annotation	Coumarin
Peak:m/z	Relative Intensity
51.02390	0.2
55.05524	0.2
64.92816	0.8
65.03949	0.6
67.62572	0.1
68.99796	0.2
69.03442	0.2
79.05530	0.2
84.04514	0.8
84.08153	0.2
88.83292	0.1
91.05486	12.2
92.57764	0.1
95.04991	0.9
102.99593	0.1
103.05476	27.3
105.04521	0.1
105.07025	1.7
105.95422	0.1
117.07021	0.1
118.06493	0.1
119.04947	9.2
119.08583	2.5
123.95581	0.1
123.96461	3.2
124.03503	0.1
129.06998	0.2
130.05025	0.5
145.10156	0.1
146.06059	0.8
147.04419	100.0
147.06819	3.8
147.08073	4.3
147.11693	3.0
156.17351	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	147.0442
Annotation	Coumarin
Peak:m/z	Relative Intensity
55.05501	0.3
64.92798	0.3
65.03944	1.0
69.07059	1.2
77.45596	0.2
79.01866	0.2
84.04501	1.2
84.08136	0.5
91.05480	22.1
93.63698	0.3
95.04977	0.3
103.05472	18.2
105.07014	1.6
119.04939	40.7
119.08550	3.2
123.96440	1.7
130.04991	1.3
130.08643	0.4
147.04410	100.0
147.08028	2.7
147.11693	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	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05063	0.3
60.04495	0.2
64.92812	0.4
65.03942	1.5
69.03429	0.2
84.04514	16.5
84.08145	4.7
85.02936	0.3
91.05486	31.1
101.01738	0.6
101.07150	1.6
102.05526	0.6
103.05480	11.0
105.07036	1.6
119.04945	76.8
119.08576	2.5
123.96461	3.4
128.95088	0.6
130.05002	14.4
130.08633	1.7
131.69968	0.3
146.96269	0.3
147.04419	100.0
147.07974	3.4
147.09152	0.9
147.11693	2.8
152.13841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.18684	0.4
65.03942	2.6
81.59920	0.4
82.09091	0.4
91.05480	33.9
103.05460	0.6
119.04940	100.0
147.04410	92.0
160.38800	0.4
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	Unknow
Peak:m/z	Relative Intensity
56.76520	0.4
65.03941	1.7
65.53765	0.5
73.08482	0.4
74.94144	0.4
91.05485	36.1
118.06544	0.7
119.04945	100.0
119.06813	8.0
147.04419	82.6
147.06345	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	147.0443
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.97594	0.5
55.05525	4.8
56.05037	1.2
56.67276	0.5
60.05646	4.2
65.03935	2.7
67.05505	1.5
68.99770	2.8
69.03407	1.3
70.06586	2.8
71.05017	0.9
72.08160	29.3
73.08487	0.6
78.06898	14.8
79.05493	2.6
81.04534	2.8
83.04992	0.8
84.04513	76.8
84.05621	13.5
84.06851	1.0
84.08150	36.6
85.02914	1.3
87.00832	0.9
87.04474	2.6
87.06390	1.0
88.03979	4.1
88.04777	2.4
88.97423	0.6
91.05485	37.2
93.07040	7.3
94.29542	0.6
95.04928	2.7
95.08631	1.1
96.46520	0.5
97.06482	0.9
98.06031	0.7
98.35712	0.6
99.04440	0.7
101.07146	4.6
102.05552	2.9
103.05485	10.5
105.07438	0.8
107.08566	0.7
111.08099	0.8
112.54398	0.6
113.49051	0.6
114.10306	3.2
115.05464	0.7
117.07021	3.2
118.01106	3.7
119.01907	4.6
119.04945	100.0
119.08564	5.3
121.06496	3.5
123.96450	0.7
128.95067	1.0
129.01859	3.5
129.08540	0.8
130.05009	59.9
130.07054	2.1
130.08638	18.0
138.06705	0.7
138.10284	7.6
139.07626	0.8
139.48009	0.6
140.83322	0.7
147.01338	22.5
147.04417	73.4
147.05394	3.4
147.06674	3.2
147.07755	2.5
147.09584	3.4
147.11337	1.8
163.07520	1.0
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	Unknow
Peak:m/z	Relative Intensity
52.58720	0.1
54.87232	0.2
55.05518	1.5
56.33492	0.2
57.03459	0.2
58.06611	6.2
61.01162	1.0
65.00632	0.3
67.05506	0.2
69.07071	0.3
70.06606	0.3
71.05006	0.2
71.08640	0.3
72.08164	100.0
75.09251	7.2
76.04025	0.3
81.03416	0.4
82.06195	0.1
82.06589	1.4
82.55056	0.1
84.08151	4.6
84.08665	0.2
85.02895	0.2
86.06067	1.3
86.07252	0.2
86.09679	0.3
87.00832	0.7
87.02709	0.8
87.04486	0.9
92.18429	0.4
98.06072	0.9
100.02239	0.8
100.04807	0.7
100.07632	0.8
100.11262	1.0
101.04243	0.4
101.32825	0.2
102.05540	0.2
105.07079	0.1
110.06078	0.3
112.11251	24.6
118.06556	1.8
128.04999	1.4
128.07074	0.7
129.03691	0.2
129.13887	13.7
140.97557	0.2
146.06032	10.8
146.08223	2.6
146.11722	2.0
146.16533	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	146.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69178	0.1
51.88407	0.1
55.05517	1.7
56.05048	0.2
57.03444	0.4
57.07090	0.2
58.06607	6.0
59.37700	0.1
60.08178	0.1
61.01156	0.9
65.00653	0.5
65.12791	0.1
67.05482	0.1
69.03410	0.1
70.06580	0.1
71.08637	5.0
71.15656	0.1
72.04533	0.2
72.08159	100.0
73.06554	0.2
74.09719	0.3
75.02692	0.1
75.09245	7.3
76.04010	4.7
81.03435	0.2
82.06584	1.4
83.04952	0.1
84.08146	3.9
85.02947	0.1
85.21460	0.1
86.06065	0.9
86.09715	2.8
87.02707	0.9
87.04459	0.7
91.00539	0.2
98.06047	0.5
100.02176	0.4
100.04794	0.7
100.07624	0.8
100.11259	2.3
101.04237	0.7
104.07060	0.1
105.07002	0.1
110.06049	0.1
111.04444	0.2
112.11243	27.1
118.06552	1.2
128.05014	0.2
128.07088	0.8
128.10654	0.2
128.14348	0.4
129.03696	0.2
129.05431	0.1
129.13876	15.9
146.02017	0.1
146.06024	4.7
146.08058	2.5
146.09393	0.7
146.11760	4.3
146.15390	2.2
146.16501	12.4
150.03024	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	146.1652
Annotation	Spermidine
Peak:m/z	Relative Intensity
55.05510	0.2
58.06604	5.9
58.98772	0.2
60.31913	0.1
64.38327	0.1
72.08157	100.0
75.09244	6.6
84.08147	3.5
87.02686	0.2
87.04526	0.2
90.04238	0.3
100.11247	0.2
112.11240	27.6
118.03712	0.7
118.06586	0.2
129.13876	12.9
132.06305	0.2
145.04472	0.2
146.06065	0.2
146.07677	1.8
146.15359	0.4
146.16518	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	146.1653
Annotation	Spermidine
Peak:m/z	Relative Intensity
52.89170	0.1
58.06610	5.7
60.05654	0.7
72.08161	100.0
75.09246	7.1
84.08152	4.2
86.06081	2.0
87.04481	2.5
104.07115	0.6
112.11244	26.1
125.98460	0.2
128.08180	0.2
129.02161	3.5
129.13881	14.3
146.04810	0.9
146.09239	3.8
146.16524	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	146.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.1
56.05034	0.1
56.96581	0.1
57.04572	0.1
58.06603	0.3
59.07386	0.2
59.77716	0.1
60.05656	16.3
60.08170	15.2
67.92595	0.1
68.05029	0.2
69.03439	1.6
72.08170	0.2
74.29646	0.1
81.03436	0.2
82.06587	0.2
83.06110	1.0
84.08150	0.1
86.06073	44.2
87.04470	100.0
90.05568	0.1
92.32207	0.1
100.07632	0.5
101.06020	0.5
104.07110	18.4
106.80380	0.1
110.02024	0.1
110.06064	0.1
111.05566	7.8
128.07135	0.9
128.08195	13.6
128.10699	0.3
129.02156	1.7
129.06604	3.5
131.55185	0.1
137.55202	0.2
146.09248	96.6
146.11740	36.1
146.55701	1.6
155.56172	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	146.0926
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
56.05030	0.4
56.94309	0.4
60.05658	17.3
60.05955	0.7
60.08164	0.4
68.05044	0.6
69.03432	1.7
70.06592	1.5
72.04522	2.1
72.05651	0.9
72.08165	5.8
72.93822	0.7
82.06599	0.4
83.06112	0.6
86.03571	0.5
86.06075	39.9
87.04473	80.1
87.05576	5.7
96.06572	0.4
102.01117	0.6
104.06406	0.9
104.07112	27.4
111.05570	8.5
112.11253	2.0
113.96428	1.6
114.06675	3.5
117.02174	0.8
118.08673	0.9
128.07118	1.9
128.08194	12.7
129.02162	14.7
129.06587	8.8
129.13869	0.9
146.04884	3.7
146.09248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0926
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
52.84259	0.3
60.05353	0.6
60.05657	15.2
66.92990	0.3
69.03432	1.8
70.06611	0.5
72.08174	0.4
72.19770	0.3
74.53529	0.3
82.62027	0.4
83.06097	0.5
86.06074	43.4
86.60165	0.4
87.04474	67.1
100.07587	0.7
104.06407	0.7
104.07114	19.1
111.05575	6.6
128.07234	0.7
128.08202	12.7
129.06618	3.1
146.09250	100.0
146.11734	2.3
164.30692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0603
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
54.03512	0.1
55.05520	1.7
55.60823	0.1
57.03450	0.7
61.01159	1.3
65.00652	0.8
65.03974	0.2
70.06596	0.2
72.04508	0.2
72.08161	1.4
75.02733	0.3
81.03419	0.9
82.06587	2.0
83.04992	0.1
86.06078	0.8
87.00851	0.2
87.02702	1.3
91.05486	5.3
95.52229	0.1
98.06066	1.0
100.04797	0.6
100.07640	0.9
101.04263	1.3
104.07174	0.3
105.07060	0.8
110.06040	0.6
111.04500	0.1
112.11292	0.2
112.97453	0.2
117.05790	1.3
118.06548	100.0
128.07079	0.8
129.03726	0.3
129.13921	0.2
143.38495	0.1
144.89601	0.1
146.06021	39.0
146.08070	2.4
146.10489	0.7
149.42053	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	146.0603
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.05526	0.6
61.01160	0.4
72.04494	0.3
72.08170	1.5
82.06601	1.5
87.02707	0.4
91.05501	5.8
100.04820	0.3
100.07638	0.4
101.04280	0.4
117.05766	1.4
118.06557	100.0
128.14363	0.8
142.03325	0.3
146.06032	40.0
146.08057	1.8
152.79733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
51.71853	0.2
55.05523	3.3
57.03440	1.1
59.84391	0.2
61.01161	2.6
62.87787	0.3
65.00642	1.2
71.05003	0.4
72.04514	0.4
72.08168	4.4
75.02718	0.3
77.86623	0.3
81.03410	1.1
82.06584	3.2
84.04477	0.3
86.06074	2.4
86.09703	1.4
87.00834	0.4
87.02699	2.6
91.05464	1.3
96.33696	0.3
98.06057	1.4
100.02216	0.6
100.04787	1.5
100.07640	2.2
101.04269	2.3
104.07098	0.4
104.16374	0.3
105.07048	6.0
110.06046	1.0
111.04438	0.4
112.11245	1.5
118.06551	5.0
121.96638	0.3
125.06624	0.5
128.04152	0.4
128.04984	9.1
128.07066	1.5
129.05588	0.3
129.13857	0.4
146.06020	100.0
146.08063	5.2
146.10532	1.1
146.16554	0.6
151.71410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85592	0.3
53.03967	1.2
54.67664	0.2
55.01879	0.4
57.03455	0.5
61.02927	0.4
62.01593	0.3
62.92999	3.1
63.02378	2.9
63.71301	0.3
64.53541	0.2
68.82957	0.3
69.03429	1.5
71.04997	5.8
72.08175	0.4
73.49530	0.3
79.05502	0.6
81.03420	2.4
85.02913	4.1
87.64568	0.3
89.03922	74.0
97.02892	1.7
99.04462	15.6
103.95610	1.8
117.03381	100.0
117.07012	1.7
120.12328	0.3
121.96642	12.6
126.97188	0.5
127.03909	4.1
129.04457	0.7
135.04407	1.5
145.02852	6.2
145.03862	0.5
145.04973	2.4
145.06458	1.3
145.08423	1.3
145.10115	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	145.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.6
55.01878	0.4
55.05524	0.3
57.03436	0.4
62.93007	2.0
63.02391	2.2
69.03428	0.8
71.05006	4.1
72.08165	0.4
78.28709	0.3
81.03435	1.3
81.07063	0.3
85.02923	4.1
89.03928	81.7
97.02910	1.7
97.40926	0.3
99.04462	11.6
103.95644	0.6
111.35687	0.3
115.83160	0.4
117.03388	100.0
119.04991	0.4
119.88434	0.3
121.96658	8.2
124.60998	0.4
127.03922	3.7
128.92612	0.3
129.04482	0.4
135.04419	0.7
143.52794	0.3
145.02863	7.0
145.04988	2.1
145.06465	0.8
145.08441	0.8
145.10156	1.2
162.86362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96660	0.4
63.02383	2.9
69.03435	0.8
69.07064	0.5
71.04996	1.8
81.03395	0.6
81.07059	1.0
85.02901	3.3
89.03916	72.7
99.04458	7.4
117.03373	100.0
117.60937	0.4
119.04982	0.5
121.96632	1.9
122.03149	0.5
127.03900	1.1
129.04482	0.7
135.04446	0.5
140.86523	0.4
145.02823	8.0
145.06548	0.8
145.10077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1386
Annotation	Conhydrine
Peak:m/z	Relative Intensity
56.05044	6.7
57.03434	0.6
57.07071	0.6
58.06606	2.1
59.05004	0.4
60.04546	0.8
60.08181	0.6
69.07088	0.7
70.06601	14.0
71.08637	27.0
71.54599	0.4
74.06086	86.8
84.04514	2.4
84.08149	0.9
85.02917	3.7
88.07638	35.5
98.06059	8.1
98.09688	2.9
102.05569	0.5
103.05491	1.1
108.01171	0.4
112.11271	0.7
113.02969	2.0
114.05522	0.4
121.00790	3.3
121.01682	2.1
126.02786	0.7
126.03759	2.3
126.05538	1.0
126.09164	0.7
126.12811	2.2
131.32043	0.4
139.01828	3.5
144.03716	4.3
144.04787	27.1
144.06590	6.8
144.08092	20.9
144.10135	5.6
144.13846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1385
Annotation	Valpromide
Peak:m/z	Relative Intensity
57.07072	0.3
57.34534	0.2
64.17458	0.2
71.08283	0.3
71.08639	7.1
72.04508	1.6
77.46823	0.2
79.01837	0.4
82.26707	0.2
93.59351	0.2
98.06066	0.9
99.08082	1.5
102.09173	2.0
116.10741	0.3
120.96478	0.3
121.00810	0.5
139.01826	0.4
142.14070	0.2
144.03680	0.3
144.06755	0.8
144.08092	9.1
144.13844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17782	0.5
56.96571	0.7
57.03430	1.0
57.07086	12.7
60.04529	0.6
60.48861	0.5
61.92887	0.9
67.99030	0.5
70.06588	3.1
71.01138	0.8
71.04976	1.1
71.08635	0.6
72.08138	0.5
74.06084	9.9
79.01866	3.4
79.52019	3.3
80.01656	4.8
84.04495	2.6
85.02911	2.6
86.06009	0.5
88.02352	0.8
88.07637	34.7
88.52548	1.0
89.02190	3.0
91.52456	1.0
97.00826	1.1
97.10173	0.5
98.06062	14.5
98.09704	0.9
100.07622	0.7
102.05537	0.9
102.09184	10.0
102.96895	0.5
103.05469	1.2
110.80030	0.5
116.07077	0.7
120.96518	6.5
120.97879	0.8
121.00813	5.7
126.02643	1.0
126.05539	2.1
139.01836	8.1
144.03761	5.6
144.05609	1.1
144.06586	8.3
144.08098	28.3
144.10187	2.6
144.13844	100.0
161.02896	0.6
162.03348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51565	0.2
52.66644	0.2
54.38821	0.2
55.05528	0.8
56.05042	0.5
57.03450	0.3
57.07078	1.2
58.06615	0.3
60.05660	100.0
60.44326	0.2
63.86346	0.2
67.05518	1.7
70.06598	5.1
71.05000	0.4
72.05650	0.3
72.08166	0.4
73.08502	0.2
75.86410	0.2
80.05024	2.9
81.03432	0.3
81.07057	1.4
82.06586	0.5
83.05002	0.3
83.08612	0.4
84.04518	2.7
84.05630	0.3
84.08150	10.5
84.53558	0.2
84.93819	0.3
85.02912	2.2
85.06557	2.4
88.03954	0.2
88.07619	0.2
98.06068	7.2
98.09702	4.3
99.04444	0.3
100.02499	0.3
101.03149	0.4
102.05544	1.1
102.09168	1.3
102.94865	0.2
102.96899	0.3
103.00655	2.5
103.02567	0.2
103.05456	1.1
109.07684	0.3
109.83641	0.2
112.08714	0.3
116.07064	0.5
119.01886	0.2
119.65070	0.2
120.96551	0.2
121.00784	1.5
121.01654	8.1
121.02483	0.5
123.58792	0.4
126.02655	1.0
126.05499	1.5
126.09161	0.9
126.10281	6.3
126.12752	0.3
127.06303	0.4
139.01816	1.4
139.02670	1.6
144.03307	4.0
144.06581	7.5
144.08003	1.5
144.10184	7.6
144.11304	42.6
162.04268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
55.05523	3.0
56.05046	0.3
57.04562	0.3
58.89463	0.1
60.05667	1.1
60.08179	0.8
67.05513	0.6
70.06600	100.0
71.04995	1.2
71.60727	0.1
74.07217	0.6
80.05032	0.3
81.07054	0.2
84.04524	1.0
84.06490	0.1
84.08159	0.9
85.06554	17.9
88.07628	0.6
95.06152	0.2
98.06054	0.4
98.09704	9.5
102.05568	0.6
103.00669	0.7
112.08737	11.4
113.02987	0.4
113.72045	0.1
115.57405	0.2
116.07671	1.0
121.01664	1.8
123.08633	0.2
123.58790	1.8
126.03758	0.3
126.05578	0.2
126.07590	0.2
126.09257	0.2
126.10299	1.1
144.03271	1.1
144.04776	3.4
144.06541	1.3
144.08159	1.6
144.10237	8.5
144.11377	8.2
144.13826	2.9
155.44141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1021
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
55.05510	0.1
55.14645	0.1
57.03450	0.1
57.07075	0.7
58.06610	2.0
60.08176	4.4
67.05507	1.9
70.06599	2.4
71.04992	0.1
75.93013	0.1
81.04532	0.4
81.07060	0.2
82.04867	0.5
83.08618	0.2
84.04513	1.6
84.05627	0.1
84.08149	2.3
85.02918	0.2
85.06552	8.9
96.06425	0.5
98.06045	0.7
98.07197	0.1
98.09700	2.2
99.03027	0.1
100.02507	0.1
101.00896	0.1
101.53220	0.3
102.02248	0.1
102.05540	0.2
103.00670	1.0
103.02595	0.1
112.08789	0.1
113.02972	0.2
116.07060	0.1
119.01950	0.2
120.01990	0.2
121.01675	4.5
121.02322	0.2
126.02169	0.1
126.07493	1.1
126.09164	0.2
139.02696	0.8
141.75206	0.1
144.03246	2.6
144.04999	1.1
144.10210	100.0
144.13840	13.6
162.04314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1021
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
55.05526	1.5
56.05047	2.1
57.07072	0.4
60.08171	1.2
64.06520	0.2
65.75196	0.2
67.05511	0.4
70.06596	12.6
73.27048	0.2
74.02445	0.9
81.07066	3.4
82.06586	0.3
83.08611	0.8
84.04525	0.4
84.08152	2.8
84.99605	0.3
85.02936	0.2
85.06560	3.8
88.07621	0.2
98.06068	1.0
98.09700	100.0
100.02491	0.3
103.00646	5.1
103.01295	0.3
112.08760	0.9
113.02948	0.3
120.02007	0.3
121.01673	9.9
125.81197	0.3
126.02206	1.0
126.03696	0.4
126.09198	1.6
126.10112	0.3
127.09460	0.3
127.13116	0.2
139.02734	1.2
144.03281	5.6
144.04811	6.7
144.06572	1.1
144.10207	61.1
144.13843	4.4
162.04338	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08772	0.2
107.64645	0.2
144.08098	100.0
156.31229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.081
Annotation	Lepidine
Peak:m/z	Relative Intensity
56.24681	0.5
56.36381	0.5
60.04520	1.1
68.85016	0.7
70.06603	4.8
72.96743	0.6
77.96938	0.7
80.01656	1.2
80.02983	0.7
83.09170	0.7
84.04498	4.4
84.08153	0.7
85.02914	6.1
89.02190	1.7
98.03204	1.0
98.06058	19.9
98.09683	2.7
102.05528	1.0
103.05471	11.6
116.06268	1.2
120.96577	0.7
121.00816	6.1
126.02665	2.7
126.05527	2.5
139.01819	7.0
144.03743	10.9
144.05664	2.6
144.06593	14.3
144.08095	100.0
144.10190	3.5
144.13885	1.4
147.56729	0.7
152.08272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94444	0.2
55.91058	0.2
62.67163	0.2
65.16739	0.2
85.46539	0.3
103.05444	0.4
109.34084	0.3
115.05431	0.4
117.07018	6.5
126.50900	0.3
143.07307	3.4
144.08093	100.0
145.06454	0.6
155.06079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0808
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
77.74648	0.4
92.36746	0.4
98.06048	0.4
144.08089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19449	0.2
62.83700	0.2
79.01708	0.3
83.56739	0.2
98.06023	0.3
103.05457	1.2
115.05503	0.4
117.07015	3.1
121.00763	0.4
128.04997	0.3
143.07292	3.0
144.08090	100.0
145.06526	1.0
155.05986	0.6
161.68694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0809
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
54.46880	0.2
60.19237	0.2
63.92184	0.2
71.16743	0.2
91.05482	0.3
93.61075	0.2
94.88178	0.2
98.06028	0.2
102.97023	0.2
103.05436	0.9
115.05466	0.9
117.05734	0.3
117.07018	5.0
143.07286	3.0
144.08092	100.0
145.06488	0.4
155.06041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44645	0.5
50.73727	0.5
61.34756	0.4
66.55238	0.5
70.36961	0.5
86.62541	0.6
98.06048	2.6
102.05531	0.6
103.05489	3.1
116.59042	0.6
121.00810	1.2
122.18864	0.5
123.08599	0.8
123.58763	1.1
124.54938	0.5
144.08089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.081
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.13719	0.2
51.46944	0.2
56.66973	0.2
64.52296	0.2
77.29456	0.2
92.42223	0.2
98.06054	0.3
103.05479	12.3
119.46098	0.2
128.04967	0.3
144.08095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40855	0.2
59.71680	0.1
65.10589	0.1
67.13350	0.1
69.23111	0.1
70.06578	0.4
76.55553	0.1
84.04498	0.8
84.08163	0.6
85.02909	0.3
86.48577	0.1
91.05437	0.2
98.06057	2.6
98.09689	0.4
102.05572	0.3
102.96884	0.2
103.05450	0.9
115.05431	0.6
117.05720	0.2
117.07026	1.9
120.45399	0.2
120.96537	0.2
121.00797	1.0
121.01635	0.3
126.05479	0.3
128.04968	0.6
139.01816	1.3
143.07309	3.3
144.03853	1.1
144.08084	100.0
144.17488	0.6
145.06491	1.0
146.06018	0.3
155.06041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03719	0.2
51.23037	0.1
53.98980	0.2
56.05027	0.3
60.04523	0.3
70.06596	1.8
73.20508	0.2
74.95297	0.2
80.01612	0.2
84.04515	1.8
84.05631	0.4
84.08128	0.4
85.02913	1.9
88.07636	0.4
97.00813	0.2
98.03178	0.2
98.06051	6.5
98.07129	0.2
98.09682	1.4
99.07493	0.9
102.05569	1.1
102.06660	0.2
102.96878	0.2
103.05470	1.5
112.04693	0.3
115.05434	0.4
116.07052	0.3
117.07024	2.4
120.96501	0.9
121.00784	2.0
121.01595	0.4
123.06793	0.2
123.58772	0.8
126.02712	0.9
126.05503	1.1
128.04880	0.3
138.98956	0.2
139.01811	2.8
143.07336	1.5
144.03709	2.7
144.06682	3.1
144.08087	100.0
144.17496	1.1
158.09233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.081
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.35863	0.3
56.05040	0.5
58.96161	0.4
64.70000	0.4
70.06587	3.2
79.01861	0.9
79.52036	0.8
80.01653	1.5
84.04508	2.9
84.08141	0.9
85.02889	1.1
89.02208	0.5
97.00817	0.6
98.06054	11.0
98.09683	2.0
102.05555	1.0
103.05424	3.5
120.96532	2.1
121.00777	2.4
126.05471	0.9
139.01834	3.8
143.07420	0.5
144.02263	0.6
144.03725	4.2
144.06645	6.0
144.08089	100.0
144.13841	0.9
145.72977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05375	0.4
82.75391	0.6
84.08104	0.6
89.02219	0.6
98.06058	2.8
107.31444	0.6
114.90855	0.5
120.96538	0.7
121.00743	0.9
127.41407	0.6
138.20218	0.6
139.01811	0.9
144.08101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.081
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
61.92865	0.2
69.98710	0.1
73.38746	0.1
80.01662	0.3
85.02883	0.3
85.39383	0.2
92.18448	0.3
95.04893	0.2
98.06061	0.9
98.09698	0.2
98.50884	0.1
103.05458	0.7
107.92546	0.2
120.96502	0.7
121.00761	0.7
137.76961	0.2
139.01814	0.7
143.07343	0.3
144.08092	100.0
144.13846	1.4
146.06055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30476	0.1
50.60678	0.2
54.38149	0.1
55.16932	0.1
60.98757	0.1
60.99618	0.2
70.06622	0.8
72.28703	0.2
74.06059	0.2
74.35369	0.1
78.99800	1.1
83.38653	0.1
83.45151	0.1
84.01228	0.9
84.04522	1.4
84.08180	0.3
84.93871	0.2
84.96050	0.8
84.99619	0.9
85.01526	0.3
85.02933	0.3
85.06606	0.2
91.51064	0.2
97.00821	2.5
98.06073	2.3
98.09694	0.4
100.02509	0.6
101.00880	0.2
101.02548	0.2
102.00997	0.8
102.02245	3.0
102.05573	0.2
102.94823	0.3
102.96887	1.4
103.00645	23.2
103.01249	1.2
103.02550	1.7
108.56405	0.2
114.05582	0.2
116.07117	0.2
118.03507	0.2
119.01956	1.7
119.15807	0.1
120.02001	2.4
120.03259	1.5
120.96569	1.2
120.97887	1.1
121.00808	11.4
121.01661	100.0
121.02335	3.8
123.02114	0.4
125.96397	0.4
126.02155	6.6
126.05482	0.4
132.49730	0.3
135.03212	0.9
137.03036	0.2
138.03027	0.2
138.98926	0.7
139.01785	12.2
139.02705	18.9
142.03481	1.0
144.03230	55.7
144.08054	1.3
144.10158	0.3
144.13794	0.2
158.04800	0.2
162.02295	0.2
162.04315	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	143.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
55.05536	0.4
56.96579	1.7
58.06614	4.0
60.95857	0.7
61.86959	0.3
69.03430	4.2
70.01335	2.0
70.06609	0.3
71.01369	0.4
72.04536	4.9
72.08150	0.6
76.51559	0.3
79.01864	10.4
79.05503	0.3
81.63977	0.4
83.01361	0.6
83.04975	0.4
84.01212	0.5
84.08147	0.8
84.33498	0.3
85.02898	0.6
87.09232	17.6
88.02376	9.5
97.02898	8.6
97.06525	0.6
97.10181	0.5
100.07622	100.0
102.02263	2.6
102.05532	0.7
111.04387	0.4
115.05440	0.5
120.02116	0.5
120.03228	0.5
125.02362	17.1
125.05988	0.4
125.07922	0.4
126.12778	0.5
128.06192	0.5
143.03401	72.2
143.08345	0.6
143.11777	4.1
143.15463	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84109	0.7
56.96572	0.9
58.99856	0.7
60.95858	3.3
60.99614	0.9
64.01596	0.7
69.03436	1.1
70.01347	1.7
70.99873	0.7
73.02936	0.9
74.06081	0.8
77.00897	1.1
79.01861	12.3
81.04552	15.2
82.01462	1.3
82.99821	1.2
83.06105	1.3
84.01202	41.7
84.57669	0.7
85.02914	1.3
88.02344	6.6
92.82563	0.7
95.06091	9.7
97.02886	1.3
97.07661	1.2
98.06082	0.9
99.53469	1.8
100.02477	5.8
101.00895	26.3
101.02562	3.1
102.00995	17.7
102.02245	100.0
102.05528	1.7
110.04761	7.2
111.05570	7.5
113.53181	1.4
118.03563	1.1
119.01922	43.5
120.02018	60.5
120.03275	29.1
125.02477	8.8
125.03812	1.8
125.07124	40.9
126.09142	7.4
131.01892	1.2
133.03439	1.0
137.02948	4.0
138.03076	11.5
142.03500	3.1
143.01866	5.7
143.03566	49.2
143.08153	23.2
143.09158	1.3
143.11778	1.5
161.02914	4.9
161.04634	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
58.99857	2.7
59.50563	1.3
61.02931	2.1
67.07147	1.1
69.03440	1.9
73.02904	1.6
77.00918	3.1
81.03445	2.2
81.04558	21.6
82.01439	2.3
84.01190	5.7
85.02892	2.9
86.52716	2.5
88.02689	5.3
89.00919	1.7
93.53469	2.4
95.06092	17.6
97.02906	3.0
97.07670	27.3
97.53130	1.5
98.06067	7.6
98.52696	5.2
99.53471	2.5
100.02517	11.6
101.00895	49.4
101.02534	1.3
101.07166	1.4
102.00996	9.5
102.02268	27.8
102.05542	2.0
103.02426	1.8
109.99158	1.3
111.02942	2.7
113.53185	7.2
115.02469	2.1
118.03529	6.2
119.01929	100.0
120.02010	40.5
120.03339	7.9
122.53707	2.1
124.02448	2.5
125.02528	2.5
125.07117	30.3
126.09159	58.1
131.01926	2.9
131.54201	2.3
133.03539	1.5
137.02985	9.6
138.03070	9.5
142.03537	8.8
143.01926	15.5
143.03596	29.5
143.08174	74.7
143.11809	5.7
147.51974	1.3
154.03502	2.8
161.02966	11.3
161.04538	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	142.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
56.05018	1.6
57.07068	1.1
60.05658	38.9
68.05000	1.3
69.03419	1.4
69.07058	2.1
71.05001	10.4
72.08160	100.0
73.06570	2.0
79.05498	7.8
81.07062	30.9
83.01515	8.0
83.08654	1.4
86.06067	1.5
91.05508	2.0
93.07044	10.9
95.08607	2.2
96.08118	7.9
97.07645	6.7
100.02518	3.1
100.07603	2.3
101.00885	29.5
101.02547	14.9
107.08591	7.1
109.10160	1.6
114.09167	1.6
114.09477	2.1
114.10280	32.5
118.96761	12.5
119.01919	72.9
119.03658	2.4
124.02422	10.9
124.07591	10.6
131.12938	16.5
133.16826	1.4
135.11691	11.8
137.02969	13.9
142.03503	41.9
142.04797	1.9
142.08655	16.6
142.09677	2.7
142.12267	3.0
149.86705	1.2
153.12775	1.7
160.04553	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	142.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15903	0.8
55.05514	4.3
59.05000	2.2
60.05358	1.4
60.05662	39.5
69.07091	7.7
70.06593	1.2
71.05016	8.2
71.81139	1.1
72.08166	100.0
73.06561	2.0
78.06914	1.3
79.05497	6.0
81.07072	25.1
83.01501	1.4
84.08141	1.6
85.56863	1.0
86.06072	1.1
91.05463	1.5
93.07059	11.7
96.04548	1.1
96.05623	17.7
96.08127	2.2
96.08955	1.2
97.07683	9.3
100.03931	1.1
100.07603	1.5
101.00896	23.2
101.02589	6.3
107.08606	13.3
109.10188	1.3
114.10302	28.4
118.96738	1.6
119.01933	58.2
119.03665	1.8
124.02450	5.6
124.04065	0.8
124.05087	9.8
124.07601	1.5
126.83489	1.0
131.12941	19.3
133.12347	1.5
135.11708	7.0
137.02968	9.3
142.03522	27.9
142.04997	6.1
142.06082	4.1
142.08638	10.0
142.09761	4.3
142.12274	1.6
153.12733	1.1
160.04584	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	142.0864
Annotation	Hypoglycine
Peak:m/z	Relative Intensity
51.02404	0.3
53.03942	0.7
55.01881	2.6
55.05515	0.8
57.05831	0.4
58.06604	0.8
60.32106	0.4
67.05500	2.1
67.45074	0.4
68.05011	0.9
69.03429	0.7
69.07069	10.3
70.06602	3.8
71.07372	0.7
71.59045	0.4
72.08155	10.2
75.09214	0.5
77.03918	0.4
78.08147	0.5
79.05496	93.4
81.07062	2.7
82.01449	1.5
82.04890	0.8
82.06606	0.6
82.99841	3.2
83.01333	14.7
83.04984	5.8
84.08148	0.9
92.09697	6.1
95.04967	4.5
95.84798	0.4
96.08145	3.0
97.06529	47.7
100.02470	2.1
100.07623	4.3
100.61022	0.6
101.00883	44.1
101.02547	8.2
102.84241	0.3
105.04514	0.5
107.04963	8.4
112.11209	2.7
112.21288	0.4
113.05973	3.7
113.10180	0.8
114.66122	0.4
118.03518	0.6
118.54382	0.4
118.96763	2.4
119.01917	100.0
119.03654	2.6
121.61524	0.7
123.04433	0.5
124.02451	11.9
124.07586	15.1
125.05985	60.9
126.12781	4.1
129.13850	1.5
137.02956	14.7
141.05479	0.9
142.03499	56.6
142.08633	98.7
142.12254	2.1
146.16489	1.7
154.12225	0.7
160.04549	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	141.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.5
55.01889	0.3
55.03005	0.6
55.05523	2.4
56.96570	0.2
57.03447	0.2
57.07079	0.2
58.99868	0.1
59.05011	0.5
60.05656	5.5
61.25673	0.1
65.03960	0.2
67.04267	0.5
67.05512	7.8
68.05029	0.1
69.03432	0.3
69.07081	0.8
70.06596	1.8
71.05001	1.2
72.08160	31.7
73.06562	0.6
73.08496	0.5
77.03922	0.2
77.07360	0.5
78.06897	1.2
79.05497	3.9
80.05038	1.0
81.03426	10.2
81.04524	0.2
81.05365	0.2
81.07065	5.9
81.07541	0.3
82.01453	5.7
82.06588	5.7
83.04995	0.5
84.02155	0.1
84.05631	1.2
84.08152	0.8
85.02895	0.2
85.06551	0.2
87.08105	0.1
91.05485	2.7
91.07677	0.7
93.07044	7.4
94.06560	0.9
95.01331	0.1
95.04968	2.7
95.08610	20.1
96.04495	0.1
96.08189	0.2
96.08956	0.5
97.02905	0.6
97.06585	0.8
97.07652	4.9
98.03245	0.6
98.06058	0.2
98.07156	0.1
98.08448	2.5
98.09726	0.1
98.97605	0.4
99.04474	0.5
99.08090	0.4
99.09220	0.3
99.97921	0.2
100.02489	16.2
102.02930	0.1
104.08422	0.9
105.03412	0.2
105.04501	0.2
105.06378	0.2
105.07039	3.3
107.07404	0.1
107.08606	3.0
108.08144	0.4
109.02884	100.0
109.06525	0.6
109.10152	1.8
110.07155	0.3
112.08730	0.4
113.02347	0.1
113.06017	0.2
113.08939	0.2
114.10292	8.3
114.11091	0.3
118.03514	3.9
118.10008	0.2
120.08002	0.1
122.07132	0.2
122.09663	1.8
123.04491	1.6
123.05328	0.2
123.08081	4.2
123.09019	0.3
123.11703	0.6
124.07608	0.6
124.08694	1.0
124.11193	0.3
127.03918	0.5
131.12927	1.6
132.08102	0.2
132.11578	0.2
133.06496	0.2
133.10118	1.5
136.08713	0.2
136.11224	0.4
138.10262	0.8
141.01857	0.7
141.05525	2.7
141.06607	0.6
141.09097	0.7
141.10229	0.8
141.11159	0.2
141.12198	0.8
150.09158	1.9
150.10262	0.3
150.12723	0.3
151.11179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.3
51.18576	0.3
53.03950	0.6
55.03004	1.7
55.05526	3.3
57.07058	0.3
57.34223	0.3
58.99882	0.4
59.05005	0.5
60.05656	20.4
65.03944	1.2
67.04249	1.9
67.05516	5.6
69.03447	0.4
69.07086	0.6
70.06599	6.8
71.05006	1.4
72.08160	100.0
73.08477	0.4
77.03940	0.4
77.07355	1.0
78.06915	0.6
79.05499	24.0
80.05028	2.0
81.03430	0.7
81.07061	7.3
82.01451	8.1
82.06587	24.5
83.08624	1.4
84.05640	1.8
84.08160	1.5
85.06569	0.4
87.08110	0.8
91.05482	10.5
91.07684	0.3
93.07059	3.8
95.04973	4.9
95.08609	6.3
97.07654	14.3
97.08959	0.4
98.08443	5.2
98.97623	1.2
99.08102	0.7
99.97915	0.6
100.02491	24.5
100.11269	1.7
103.05486	1.8
105.04503	0.4
105.07035	30.4
107.08591	13.3
108.08138	0.4
109.02912	1.3
109.06517	5.0
109.10157	4.6
114.10289	23.7
115.10706	0.3
116.98634	0.6
117.98981	0.3
118.03516	6.0
119.06086	0.6
120.53121	0.4
123.04423	2.1
123.08099	2.1
123.11739	1.7
124.08720	1.1
124.11217	0.4
129.53616	0.4
131.08658	0.4
131.12918	7.0
131.13774	0.4
133.06468	2.9
133.10129	5.0
136.11263	0.5
138.10306	1.2
141.01851	1.3
141.05498	0.6
141.06624	1.3
141.10289	1.5
141.12137	0.7
141.13788	0.3
150.12814	2.0
151.07512	0.4
151.11191	2.9
157.74774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0547
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
55.05513	0.7
56.96569	1.0
58.96167	1.4
67.05508	2.7
68.99782	3.5
71.04997	0.8
72.08125	0.6
81.03436	1.2
81.07069	4.2
82.01455	17.3
85.02894	1.0
85.21777	0.5
95.01333	3.7
95.04939	2.2
95.08609	6.0
97.06543	1.1
97.65942	0.6
98.03680	4.5
99.04487	0.7
99.97946	0.9
100.02487	53.2
105.43266	0.6
109.02882	3.5
109.04023	0.7
111.00804	28.6
113.02363	2.5
113.06007	0.9
116.97221	0.7
118.03518	15.5
120.60828	0.5
123.08060	2.5
126.03137	46.4
141.01874	7.4
141.05476	100.0
141.09123	1.2
141.10217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1406.9078
Annotation	Unknow
Peak:m/z	Relative Intensity
97.05293	0.1
103.05473	2.4
104.06258	2.0
105.07022	0.9
110.06041	1.4
115.05473	0.1
117.07032	0.1
118.06553	0.3
119.04936	0.3
119.07322	0.1
120.08105	13.5
123.04417	0.1
129.06982	0.1
130.06508	0.6
131.04930	5.7
132.08078	0.5
132.26756	0.1
134.09642	2.4
136.07599	1.8
143.08575	0.1
145.10144	0.4
146.06026	1.3
146.09657	0.1
147.08037	0.1
148.07568	0.7
148.11212	2.6
155.08534	0.1
157.10054	0.1
158.06076	0.1
158.09665	0.3
159.10431	0.1
160.07639	0.1
160.11220	0.1
162.05511	0.5
163.07545	0.2
165.05467	0.7
172.11237	0.4
173.09624	0.7
174.12738	0.3
175.07523	0.5
176.10707	1.5
182.08154	0.9
186.09074	0.6
187.07510	0.1
188.07094	0.5
188.10709	3.5
190.12315	0.3
198.09212	0.5
200.10696	3.7
201.11484	3.5
202.08649	0.4
202.12282	1.1
203.08228	0.3
205.08585	0.9
207.14923	3.4
208.05978	0.1
215.08150	0.1
215.11732	0.3
216.10281	0.1
217.08624	1.4
217.13313	0.3
218.11853	0.2
222.10928	1.1
222.13225	0.9
227.11771	0.1
228.10168	0.7
232.09587	0.3
234.11243	3.4
243.11304	0.4
245.13045	0.1
246.11270	0.5
249.12395	0.3
250.12325	0.3
259.18042	4.0
260.18930	0.3
261.19553	1.0
264.10220	0.1
267.15021	0.1
281.12851	0.1
283.14465	0.1
287.17566	1.2
290.15536	0.2
300.13593	0.1
302.15137	0.1
305.16510	0.1
306.14752	0.1
307.14511	0.6
309.12274	1.2
312.12460	0.1
314.15622	0.1
318.15182	0.1
319.18149	0.3
329.15625	0.1
333.16031	0.1
335.13989	0.1
335.17450	0.5
336.15839	0.2
347.17490	0.7
363.17102	0.1
364.15753	0.1
369.18130	0.6
378.18448	0.1
379.16580	0.5
381.18027	0.9
394.25076	0.6
396.19302	0.4
407.15897	0.2
409.17590	0.2
440.25491	0.2
452.25586	0.5
483.22867	0.4
510.24121	0.1
528.24597	0.2
556.24542	1.1
587.32312	10.9
615.31799	100.0
616.32855	0.1
865.77612	0.1
1024.47388	0.1
1193.94958	0.1
1409.97632	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69226	0.5
56.96572	13.6
57.93556	3.1
59.79341	0.6
60.33205	0.5
62.39736	0.7
70.06569	0.6
82.06574	0.6
94.06556	3.8
98.06038	0.7
98.97585	100.0
103.10657	0.7
104.71574	0.9
112.07619	1.4
116.96498	0.9
116.97276	18.9
116.98614	43.9
122.06033	1.2
134.99663	11.7
140.03401	1.0
140.07071	3.6
140.08069	0.6
140.10693	1.1
145.11444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.01894	0.4
55.05523	5.9
56.07128	0.2
56.96577	62.5
57.03446	0.5
58.79467	0.2
58.79812	0.2
59.14202	0.2
63.84003	0.2
65.03952	18.3
67.05517	3.8
69.03436	1.2
69.07082	4.0
70.06601	0.2
71.05001	1.3
74.40434	0.2
74.97632	0.3
79.05503	9.1
81.07069	2.7
81.26988	0.2
83.04990	19.5
91.05474	2.4
91.79356	0.2
93.03412	25.6
93.04542	1.3
93.07048	22.0
94.06558	0.4
95.04974	3.2
95.06091	1.2
95.08613	16.5
96.06892	0.4
97.02869	0.3
97.04028	0.3
97.06538	5.8
97.99191	3.5
103.05488	0.9
105.04446	0.4
105.07023	0.5
105.39624	0.2
109.10117	0.3
111.04449	100.0
111.08047	2.6
116.00233	1.7
121.02875	4.9
121.03996	13.3
121.04863	0.4
121.06464	2.1
121.10143	5.9
124.04101	0.2
134.06078	0.4
139.03912	19.9
139.05034	8.8
139.06410	1.2
139.07547	3.8
139.08665	2.0
139.09520	1.4
139.11189	10.8
139.12308	5.5
140.03436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	0.4
53.03959	2.3
53.73010	0.4
55.01882	3.2
55.03004	1.8
55.05521	15.9
56.05060	0.3
56.05858	0.6
56.32216	0.3
56.96575	38.8
58.06618	0.4
60.05656	13.0
65.03952	12.3
67.05514	17.2
68.05025	0.7
68.99804	6.5
69.00912	0.3
69.03437	1.6
69.04557	0.4
69.07072	8.1
70.06598	6.1
70.54540	0.5
72.05708	0.4
72.08160	89.5
73.08492	0.7
74.76691	0.3
76.06573	0.3
77.03925	1.4
77.06110	0.4
78.06896	11.5
79.05499	7.9
79.05875	5.2
80.05024	3.9
81.03448	0.6
81.07079	4.4
82.02942	4.6
82.06576	0.6
83.04980	17.2
84.05635	10.7
84.06901	2.2
84.08141	2.4
85.05395	0.5
85.05972	2.5
88.55834	0.4
90.06325	0.8
91.05484	26.0
91.07667	2.9
92.17887	0.7
93.03409	7.2
93.04548	1.6
93.07045	13.7
94.06579	3.5
95.04972	100.0
95.08617	5.2
95.57124	0.5
96.04499	1.9
96.05610	3.6
96.08127	1.6
97.02926	0.8
97.04019	0.7
97.04837	1.6
97.06557	2.6
97.07092	0.5
97.07652	12.0
97.99171	1.5
98.06061	2.0
98.06625	0.5
100.06364	1.9
103.05488	2.4
104.06278	0.5
104.08460	0.6
105.03394	1.5
105.04524	5.1
105.06969	3.1
107.04965	0.6
107.08601	1.7
108.04480	5.6
108.08111	0.9
109.56870	0.6
110.03589	0.4
110.06030	0.5
110.07169	9.1
111.00822	2.8
111.04449	13.5
111.05605	0.7
111.08094	2.0
111.09238	0.6
114.10295	14.4
115.05482	0.6
115.08708	0.4
116.00187	0.4
116.97198	0.5
117.07016	6.9
118.09354	0.4
118.57372	0.4
119.08582	33.6
120.08897	0.4
121.02872	39.6
121.03983	16.8
121.06501	3.3
121.07638	0.8
121.10152	3.7
122.06040	0.8
122.07054	0.5
123.08064	4.0
125.10758	1.5
126.00449	0.4
129.07016	1.9
131.07379	0.6
131.08524	0.4
131.12926	1.4
132.05756	0.4
135.07948	0.4
136.07556	0.4
136.08690	0.5
136.11217	3.2
138.10271	7.9
139.03914	26.9
139.05034	11.6
139.05888	1.9
139.07526	3.9
139.08672	4.5
139.09595	0.7
139.10547	10.5
139.12265	12.7
139.13345	0.5
139.59714	0.4
140.08202	2.0
144.08060	0.5
146.09686	1.6
147.06923	0.5
147.08057	11.4
148.11185	0.8
150.06671	0.5
150.10248	1.4
157.10803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	0.4
53.03959	2.3
53.73010	0.4
55.01882	3.2
55.03004	1.8
55.05521	15.9
56.05060	0.3
56.05858	0.6
56.32216	0.3
56.96575	38.8
58.06618	0.4
60.05656	13.0
65.03952	12.3
67.05514	17.2
68.05025	0.7
68.99804	6.5
69.00912	0.3
69.03437	1.6
69.04557	0.4
69.07072	8.1
70.06598	6.1
70.54540	0.5
72.05708	0.4
72.08160	89.5
73.08492	0.7
74.76691	0.3
76.06573	0.3
77.03925	1.4
77.06110	0.4
78.06896	11.5
79.05499	7.9
79.05875	5.2
80.05024	3.9
81.03448	0.6
81.07079	4.4
82.02942	4.6
82.06576	0.6
83.04980	17.2
84.05635	10.7
84.06901	2.2
84.08141	2.4
85.05395	0.5
85.05972	2.5
88.55834	0.4
90.06325	0.8
91.05484	26.0
91.07667	2.9
92.17887	0.7
93.03409	7.2
93.04548	1.6
93.07045	13.7
94.06579	3.5
95.04972	100.0
95.08617	5.2
95.57124	0.5
96.04499	1.9
96.05610	3.6
96.08127	1.6
97.02926	0.8
97.04019	0.7
97.04837	1.6
97.06557	2.6
97.07092	0.5
97.07652	12.0
97.99171	1.5
98.06061	2.0
98.06625	0.5
100.06364	1.9
103.05488	2.4
104.06278	0.5
104.08460	0.6
105.03394	1.5
105.04524	5.1
105.06969	3.1
107.04965	0.6
107.08601	1.7
108.04480	5.6
108.08111	0.9
109.56870	0.6
110.03589	0.4
110.06030	0.5
110.07169	9.1
111.00822	2.8
111.04449	13.5
111.05605	0.7
111.08094	2.0
111.09238	0.6
114.10295	14.4
115.05482	0.6
115.08708	0.4
116.00187	0.4
116.97198	0.5
117.07016	6.9
118.09354	0.4
118.57372	0.4
119.08582	33.6
120.08897	0.4
121.02872	39.6
121.03983	16.8
121.06501	3.3
121.07638	0.8
121.10152	3.7
122.06040	0.8
122.07054	0.5
123.08064	4.0
125.10758	1.5
126.00449	0.4
129.07016	1.9
131.07379	0.6
131.08524	0.4
131.12926	1.4
132.05756	0.4
135.07948	0.4
136.07556	0.4
136.08690	0.5
136.11217	3.2
138.10271	7.9
139.03914	26.9
139.05034	11.6
139.05888	1.9
139.07526	3.9
139.08672	4.5
139.09595	0.7
139.10547	10.5
139.12265	12.7
139.13345	0.5
139.59714	0.4
140.08202	2.0
144.08060	0.5
146.09686	1.6
147.06923	0.5
147.08057	11.4
148.11185	0.8
150.06671	0.5
150.10248	1.4
157.10803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0504
Annotation	2-Pyrimidine Acetic Acid
Peak:m/z	Relative Intensity
54.17330	0.1
55.05521	0.1
56.96576	3.2
56.96851	0.1
65.03953	0.2
66.03481	0.4
67.05519	0.2
68.05042	0.2
68.99780	0.1
69.04587	0.1
70.98441	0.1
83.05000	0.6
83.06094	0.1
84.04534	0.1
86.90280	0.1
87.92120	0.1
93.03383	0.2
93.04530	5.8
95.04975	0.2
95.06091	2.3
96.08127	0.8
97.04003	0.2
97.99170	0.1
103.00677	0.1
111.04424	0.6
111.05560	0.2
116.97217	0.1
121.03992	100.0
121.63331	0.1
139.04024	0.9
139.05023	18.7
139.08644	0.7
139.09607	0.3
139.12273	0.4
140.03427	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	139.0392
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
53.07271	0.1
55.05510	0.1
56.76836	0.1
56.88598	0.1
56.96576	5.8
65.03948	2.0
70.54124	0.1
75.64143	0.1
83.05001	0.1
85.33685	0.1
92.18425	0.1
93.03431	1.0
93.07018	0.3
95.04955	0.5
97.06548	0.1
97.99176	0.5
111.04453	1.0
111.08084	0.2
121.02869	100.0
132.11317	0.1
139.03923	8.5
139.05013	0.6
139.07536	0.1
139.11227	0.2
145.32353	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	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03960	0.7
55.01873	2.9
55.05524	9.0
56.96576	45.4
62.56806	0.5
65.03952	40.9
67.05509	6.6
68.99799	16.3
69.03426	2.8
71.01328	0.5
72.08163	1.2
76.04222	0.5
79.05480	2.5
81.03427	6.0
83.04989	23.4
83.61158	0.4
86.84781	0.5
91.05468	1.0
93.03416	15.3
93.04516	4.4
93.07054	3.5
93.28799	0.5
95.04972	12.1
95.06087	3.1
96.02076	1.1
97.02880	2.1
97.06527	2.4
97.99193	2.1
98.14980	0.6
111.00781	1.2
111.04447	100.0
111.74088	0.5
116.97208	2.2
119.08639	0.5
121.02902	7.6
121.03996	36.3
121.06522	0.9
127.03931	0.8
139.03918	26.2
139.05043	22.2
139.06032	0.8
139.07512	2.5
139.08545	0.7
139.11238	1.0
139.12311	2.4
144.65477	0.5
152.27917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.1028
Annotation	2,4,6-Triaminotoluene
Peak:m/z	Relative Intensity
53.03938	0.9
55.05523	21.3
57.39757	0.7
57.56334	0.7
57.66696	0.6
69.03426	3.7
72.08173	11.2
81.07059	0.8
82.06583	3.4
84.05639	51.4
84.06820	0.9
93.07053	1.9
95.08624	1.0
96.04501	13.0
96.05599	8.1
96.08135	1.6
110.06009	1.5
110.07132	1.9
121.06509	1.6
123.06832	0.8
134.09676	4.1
138.05508	10.8
138.06487	1.5
138.09215	4.3
138.10274	100.0
138.12775	4.1
139.57895	0.8
145.44423	0.8
147.06744	0.9
148.08627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71986	0.3
53.03953	0.5
55.05525	18.2
55.05780	0.7
55.93537	0.6
58.06606	0.4
60.95845	0.5
67.14709	0.3
68.05022	0.5
69.03437	5.7
77.16914	0.3
77.34287	0.4
78.93146	0.4
80.45284	0.4
82.06588	3.6
84.05638	52.6
94.06553	0.7
96.04501	19.0
96.05578	5.4
96.08116	0.7
97.02880	2.5
97.06428	0.6
97.08926	0.4
100.02473	0.6
110.06049	5.9
110.07158	2.3
114.97157	0.4
115.02438	0.4
119.43998	0.4
120.04462	0.6
120.05715	0.4
120.08147	0.5
121.06474	0.5
121.07611	0.9
123.06887	0.4
123.56303	0.5
125.58031	0.4
128.95044	0.8
129.56297	0.6
133.03432	0.6
138.01772	0.9
138.05522	30.5
138.06529	1.6
138.09167	10.2
138.10263	100.0
138.56834	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	138.1027
Annotation	2,4,6-Triaminotoluene
Peak:m/z	Relative Intensity
55.05527	16.8
57.22642	1.4
68.05053	1.9
74.62215	1.9
79.75706	1.8
84.05634	51.5
92.05006	2.5
96.04494	2.7
96.05619	6.3
110.06036	10.5
110.07168	2.9
120.04478	2.7
128.95107	2.9
138.01765	3.2
138.05479	14.6
138.06396	18.0
138.09155	23.6
138.10277	100.0
154.00790	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	138.0916
Annotation	N,N-Dimethylaniline N-oxide
Peak:m/z	Relative Intensity
51.71921	0.1
56.07717	0.1
56.90449	0.1
59.21327	0.1
67.05502	0.7
75.13086	0.2
79.05495	0.2
80.05026	0.3
82.06592	0.3
91.05513	0.2
93.07011	1.1
94.06540	1.0
95.07336	1.0
96.08106	0.9
97.02879	0.2
108.84246	0.1
109.47746	0.2
110.06053	1.0
110.09693	2.7
120.08122	0.3
123.06810	10.9
128.95149	0.2
138.09148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93978	0.5
55.05524	17.4
55.93520	2.2
57.04543	0.7
63.07209	0.5
65.03950	0.5
68.05010	0.6
82.07398	0.8
82.85674	0.4
84.05635	51.0
84.23346	0.5
92.04991	0.7
96.04506	1.4
96.05624	7.6
96.08121	0.9
97.02896	0.6
97.06457	0.7
109.10146	0.5
110.06047	8.9
110.06773	0.7
110.07154	1.1
112.99709	0.5
120.04446	2.3
123.03958	1.0
123.06776	0.7
128.95074	3.2
132.23140	0.7
138.01727	3.5
138.05481	14.8
138.06400	8.7
138.09154	14.5
138.10252	100.0
138.12682	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	138.0914
Annotation	Hydroxyphenethylamine
Peak:m/z	Relative Intensity
51.02359	0.1
51.94100	0.1
53.03942	0.1
55.01880	0.1
55.17627	0.1
56.68745	0.1
65.03927	0.1
68.05006	0.1
69.03429	0.3
76.00635	0.1
77.03910	0.4
79.05493	0.1
82.06582	0.3
91.05485	2.5
93.07049	5.8
94.20710	0.1
95.04967	1.5
95.08666	0.1
96.04497	1.3
97.02898	0.1
103.05479	3.4
105.04532	0.4
110.06063	0.9
110.09702	0.1
120.04491	0.1
120.05303	0.1
120.08126	0.1
121.06506	100.0
123.06782	0.1
128.95085	0.1
138.01785	0.1
138.02696	0.1
138.05537	2.9
138.06480	0.5
138.09151	2.9
138.10243	0.3
138.12785	0.4
159.76727	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	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
50.44315	0.3
52.16261	0.3
52.99309	0.3
55.05526	1.6
57.07084	9.2
67.05511	9.6
68.46457	0.4
69.07076	5.6
79.05499	5.4
81.07065	100.0
91.05492	2.6
93.07052	2.9
94.04185	1.8
95.04974	1.6
95.08611	71.4
97.19795	0.4
105.44119	0.4
109.06505	2.9
109.10172	10.0
117.75684	0.4
119.08566	1.5
122.03659	5.3
122.07269	2.4
128.71948	0.4
137.02519	7.0
137.05971	33.3
137.09636	15.1
137.10706	0.7
137.13258	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	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05528	1.4
57.07089	8.6
57.21604	0.3
61.07833	0.3
62.94784	0.4
67.05508	8.3
67.20582	0.4
68.02756	0.4
69.07076	4.6
71.08624	0.7
79.05498	4.4
79.89570	0.3
81.07067	100.0
88.93283	0.4
92.17871	0.7
93.07049	1.7
95.04974	0.6
95.08614	65.7
106.81625	0.4
109.10171	5.5
127.87522	0.4
133.54939	0.4
137.05980	2.4
137.09692	0.5
137.13266	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03964	0.2
53.22695	0.2
55.01867	0.2
55.05522	2.2
56.05006	0.2
57.07087	8.4
57.10666	0.2
58.71209	0.2
67.05515	12.3
69.07076	5.3
71.08626	0.4
79.05501	5.0
81.07067	85.1
83.08624	0.2
90.96761	0.3
91.05477	1.3
93.07062	2.5
94.04205	1.0
95.04980	1.2
95.08614	100.0
105.07046	0.2
107.08605	0.8
109.06519	1.9
109.10167	9.7
119.08604	1.6
122.03651	2.6
122.07289	2.3
135.11679	0.2
135.67868	0.2
137.02470	1.1
137.05962	17.2
137.09637	15.0
137.13266	38.6
147.93515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.3
55.35735	0.3
67.05515	7.6
68.81703	0.3
69.03461	0.3
70.64827	0.3
77.03939	0.3
79.05494	0.7
81.07071	3.2
91.05477	2.1
92.17867	0.4
93.07059	0.7
94.04204	0.3
95.04977	1.5
95.08617	3.4
107.04923	2.5
107.08598	0.5
109.10169	18.8
119.08582	7.1
121.06516	1.8
122.03664	3.1
122.07294	26.3
131.62099	0.3
135.08060	0.7
135.74210	0.4
137.02444	0.7
137.06003	16.8
137.09627	100.0
137.37331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
55.01875	0.3
55.05519	0.2
56.39601	0.2
56.61313	0.2
57.81324	0.2
64.33808	0.2
67.05515	6.4
69.07072	0.4
79.05492	1.3
81.07065	6.7
91.05484	3.2
92.18379	0.2
93.07054	1.0
94.04186	2.2
94.07799	0.2
95.04976	1.4
95.08616	5.2
97.44083	0.2
107.04969	1.7
107.08570	0.3
109.06535	1.9
109.07678	0.3
109.10165	18.7
117.07000	0.3
119.08588	7.5
121.06514	2.1
122.03664	7.2
122.07291	24.3
124.97533	0.2
135.08061	1.3
137.02534	2.7
137.05989	37.8
137.09625	100.0
137.13272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0964
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03942	0.4
53.88031	0.2
55.01876	0.5
55.05506	1.5
56.25684	0.2
57.03419	0.2
57.07072	0.7
65.03942	0.4
66.04716	0.3
67.05513	18.1
69.03416	1.2
69.07063	0.5
74.28626	0.2
79.05494	2.6
81.03412	1.6
81.07063	15.6
83.04968	0.5
91.05016	0.4
91.05486	6.0
93.07042	3.0
94.04185	2.9
95.04966	6.4
95.08607	13.8
107.04952	3.0
107.08598	3.2
108.05757	0.3
109.06522	28.3
109.10162	32.8
117.07037	1.0
119.06062	1.4
119.08581	9.7
121.06506	1.8
122.03658	7.2
122.07285	18.2
135.07996	0.3
137.02464	1.5
137.05984	47.0
137.09622	100.0
137.13206	3.9
151.44844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
55.05487	0.5
57.07088	0.7
61.99481	0.4
67.05507	8.2
69.07057	1.7
71.63243	0.4
79.05479	2.7
80.06122	0.4
80.67432	0.4
81.06602	0.9
81.07059	17.7
82.06480	0.4
91.05486	3.2
93.07050	1.8
94.04174	2.6
95.04950	0.8
95.08610	16.1
102.70335	0.4
107.04947	2.6
109.06532	3.8
109.10161	15.9
119.04935	0.5
119.08581	7.4
121.06512	2.2
122.03658	12.3
122.07285	25.4
135.08032	0.8
137.02530	4.1
137.05981	66.6
137.09618	100.0
137.13206	6.3
155.05542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
55.01870	0.2
55.03001	0.2
56.06359	0.2
59.14115	0.2
63.38419	0.1
63.89605	0.2
64.01234	0.2
66.04728	0.3
78.82185	0.2
79.05489	0.4
81.07054	1.2
82.04073	0.2
91.05514	1.3
92.05791	0.2
94.04149	4.2
95.04952	0.3
95.08587	0.4
107.04934	0.2
109.06491	0.7
110.03515	2.8
119.01909	1.0
119.03542	2.0
119.04929	0.4
120.05253	0.4
122.03648	12.0
137.04591	100.0
137.05969	63.3
145.27391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
55.01871	0.4
55.05514	0.2
58.41796	0.2
65.03942	0.3
66.04722	1.0
66.27186	0.2
67.05508	3.1
69.07059	0.3
70.59364	0.2
79.05489	2.0
81.07063	6.3
91.05472	2.5
93.07047	0.6
94.04192	5.7
95.04954	1.1
95.08161	0.3
95.08620	4.4
96.04507	0.3
107.04975	0.5
109.06528	3.1
109.10142	1.8
114.48444	0.2
115.97646	0.2
119.04908	0.4
119.08572	0.5
121.34188	0.3
121.39228	0.2
122.03650	17.0
122.07270	1.0
130.97345	0.3
131.47426	0.3
137.02562	3.8
137.05983	100.0
137.09598	8.0
137.13223	1.6
151.34247	0.2
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
50.46458	0.2
52.80026	0.2
55.05508	0.4
57.07083	2.1
62.17956	0.2
66.04737	0.5
66.85172	0.2
67.05516	2.8
69.07071	0.6
79.05506	2.1
81.07066	18.5
89.58311	0.2
91.05498	2.2
93.07048	1.3
94.04185	5.3
95.04982	1.0
95.08607	15.6
105.03413	0.3
107.04941	0.5
109.06512	1.5
109.10164	3.0
112.69464	0.2
119.08581	0.3
122.03652	17.0
122.07279	0.5
137.02541	3.1
137.05984	100.0
137.09573	6.2
137.12349	0.4
137.13263	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	137.0599
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
65.03919	0.2
66.04740	0.3
67.05506	0.4
68.10791	0.2
79.05500	1.3
81.07079	1.6
91.05466	1.2
93.07087	0.3
94.04192	5.6
95.04958	0.3
95.08637	0.6
107.04974	0.3
109.06523	0.5
109.10159	0.4
122.03653	17.7
132.51082	0.2
137.05986	100.0
137.09502	1.5
148.99864	0.2
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
50.38903	0.1
51.65850	0.1
51.70266	0.1
55.01860	0.2
61.08706	0.1
65.03939	0.3
66.04718	0.6
67.05502	0.7
70.06570	0.1
73.10335	0.2
76.63196	0.1
79.05501	1.7
81.03425	0.3
81.07058	2.3
91.05480	4.1
93.07077	0.3
94.04181	5.0
94.06596	0.2
95.04960	0.7
95.08604	1.1
105.29675	0.2
107.04955	0.9
109.06509	1.1
109.07662	0.2
109.10220	0.2
119.04963	1.2
122.03647	17.3
137.02527	1.6
137.05981	100.0
137.10710	1.2
137.13210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.06
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03957	0.2
55.05513	0.2
65.03957	0.3
66.04729	0.3
67.05518	2.2
77.90984	0.2
79.05510	2.5
81.03436	0.4
81.06602	0.4
81.07066	7.8
90.01820	0.4
91.02110	0.2
91.04933	0.4
91.05482	9.6
92.05829	0.4
93.07043	0.5
94.04198	4.8
94.06528	0.2
95.04955	1.4
95.08606	3.7
107.04933	1.3
109.06518	4.5
109.07655	0.3
109.10164	1.9
116.48132	0.2
119.04939	5.3
119.08561	0.4
122.03655	15.2
129.53929	0.2
135.04411	0.2
137.02547	4.2
137.05988	100.0
137.09613	3.9
137.10715	1.1
137.13261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
58.76206	0.2
60.36050	0.2
65.03938	0.2
66.04713	0.5
67.05523	0.2
79.05488	1.5
81.07056	1.3
91.05478	1.4
94.04196	6.0
95.04993	0.3
95.08612	0.4
99.74348	0.2
107.04931	0.7
109.06517	0.9
109.10183	0.2
122.03654	18.7
122.88890	0.2
122.89886	0.2
137.05988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.09747	0.1
55.01873	0.3
55.05507	0.2
65.03942	0.2
66.04719	0.8
67.05508	1.2
69.07101	0.1
71.04953	0.2
73.51504	0.1
79.05498	1.9
79.80714	0.1
81.03418	0.2
81.07057	3.1
91.05485	3.0
93.07063	0.2
94.04191	4.8
95.04993	1.1
95.08592	1.3
107.04945	0.9
109.06539	1.8
109.10159	1.5
119.04942	0.7
119.08580	0.2
122.03653	19.3
122.07290	0.2
135.04384	0.2
137.02582	1.4
137.05980	100.0
137.09529	2.2
141.41206	0.1
156.37236	0.2
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	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
50.07460	0.1
52.10700	0.1
52.37020	0.1
55.01867	0.3
57.13340	0.1
65.03943	0.4
66.04028	0.2
66.04739	0.4
67.05518	1.6
68.49457	0.1
75.02002	0.1
79.05495	1.8
81.03436	0.2
81.07066	3.8
84.83362	0.2
91.05482	2.8
93.07045	0.4
94.04195	5.1
95.04996	1.2
95.08613	2.0
107.04938	0.8
109.06527	2.4
109.10181	1.3
109.26432	0.2
119.04968	0.4
119.08559	0.3
122.03655	17.4
127.10639	0.2
137.02562	2.4
137.05988	100.0
137.09550	2.9
137.13226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91087	0.2
53.73015	0.2
56.50093	0.2
58.44140	0.2
65.90491	0.2
66.04716	0.4
67.05501	0.5
69.03471	0.2
79.05487	1.4
81.07069	2.4
83.07533	0.2
91.05483	1.7
91.83357	0.2
92.18410	0.4
94.04200	5.2
95.04964	0.4
95.08602	1.0
107.04932	0.4
109.06527	1.4
109.10160	0.5
122.03654	16.9
137.05989	100.0
137.09515	1.7
137.13235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0461
Annotation	Hypoxanthine
Peak:m/z	Relative Intensity
53.03957	0.2
55.01888	1.9
66.04723	0.4
67.05507	0.6
72.09474	0.2
79.05499	1.1
81.03445	0.4
81.07065	1.8
91.05486	2.1
92.05819	1.3
94.04147	3.6
95.04957	1.5
95.08588	1.0
101.00877	0.4
107.04906	0.3
109.06521	1.5
109.07668	0.3
109.10149	0.6
110.03539	2.8
119.01924	1.7
119.03555	2.0
119.04942	1.2
120.04462	1.6
120.05250	0.7
122.03649	8.3
126.04080	0.2
137.04601	100.0
137.05978	46.2
137.08049	1.2
137.09492	0.6
137.10641	0.5
137.11621	0.4
137.13272	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1368.9284
Annotation	Unknow
Peak:m/z	Relative Intensity
117.05781	0.2
117.84544	0.1
132.08046	0.1
145.05264	0.2
159.06770	0.2
160.07581	33.7
161.08363	0.7
168.08101	0.2
169.08643	0.1
170.09654	1.4
171.06760	0.1
174.09135	1.3
184.07588	0.2
186.09151	95.8
187.09930	36.0
202.11020	1.5
203.11792	0.6
217.13359	4.5
218.14154	39.3
246.44066	0.1
255.81998	0.1
299.17679	0.1
317.18655	0.8
330.69897	0.1
340.16965	0.1
452.79056	0.1
464.25488	100.0
521.61902	0.1
764.59558	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	136.0759
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
50.91555	0.1
51.53429	0.2
55.29068	0.1
59.05154	0.2
59.07234	0.1
91.05486	38.9
94.04069	0.8
94.06575	0.7
107.04978	1.4
108.08127	0.4
109.06528	0.9
113.94252	0.1
118.06575	1.7
119.03690	1.9
119.04946	20.2
119.08559	0.2
121.08881	0.2
136.06213	100.0
136.07582	22.0
136.11183	1.8
137.04604	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	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
65.20550	0.1
76.93352	0.1
82.57623	0.1
91.05473	0.6
92.02478	0.1
94.04044	0.9
98.43928	0.1
106.07359	0.5
109.05103	0.1
118.06564	0.1
119.03545	1.5
130.07768	0.1
134.74005	0.1
136.02174	2.7
136.06184	100.0
137.04599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
50.21822	0.2
50.45642	0.1
65.53361	0.1
66.94884	0.2
69.42167	0.1
71.39755	0.2
75.40195	0.2
82.27470	0.2
91.05483	19.7
94.04050	0.8
107.04935	0.3
109.06493	0.4
118.06551	1.3
119.03665	1.5
119.04939	11.3
119.05795	0.4
136.02170	0.9
136.06189	100.0
136.07545	12.1
137.04613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92685	0.1
67.02977	0.1
69.03432	0.1
73.41494	0.1
76.93371	1.1
79.05486	0.1
91.05481	1.5
92.02480	0.1
94.04058	0.6
94.06593	0.1
94.94411	0.3
99.97958	0.1
106.06525	0.1
107.07349	0.3
108.08098	0.3
109.05122	0.1
113.96365	0.1
117.95994	0.9
118.03440	0.1
118.06567	0.5
118.96726	0.1
119.03548	1.7
119.04935	0.4
135.97072	0.2
136.02184	6.8
136.06190	100.0
137.04582	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	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03963	0.4
55.05524	5.2
57.07084	1.1
61.56607	0.2
65.03955	0.4
67.05527	0.7
69.07078	1.8
70.07745	0.2
72.01575	0.2
75.87098	0.2
77.03940	0.5
79.05499	11.9
80.03563	0.2
81.07066	2.0
89.03923	0.4
91.05482	14.7
93.07047	53.3
94.07816	0.3
95.04966	3.5
95.08612	0.8
98.97622	0.4
105.04549	0.4
105.07040	8.2
106.07828	0.3
107.04958	3.1
107.08600	100.0
109.06523	3.5
117.03355	0.5
117.07039	1.4
119.06066	1.9
119.08578	6.2
120.09352	1.9
124.43264	0.2
133.10141	0.4
135.04434	4.3
135.05501	0.4
135.08115	2.8
135.11697	59.6
137.09650	0.4
138.52109	0.2
143.07553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	0.8
55.01868	0.4
55.05526	3.7
57.07080	1.5
63.12062	0.3
65.03884	0.4
67.05499	0.7
69.07065	1.7
71.02975	0.4
72.00677	0.4
72.95159	0.3
77.03915	0.5
79.05500	13.1
80.03471	0.5
81.07069	0.9
82.53776	0.6
89.03935	0.5
91.05487	19.8
91.06055	0.8
93.07052	41.2
93.56164	0.5
95.04975	3.4
102.89291	0.3
103.05476	0.8
103.66549	0.3
105.04530	0.4
105.07040	12.9
107.04981	2.2
107.08604	100.0
109.06515	4.8
115.05474	3.2
117.07029	6.0
119.06076	2.8
119.08584	14.0
120.09387	3.8
133.10149	0.7
135.04474	3.6
135.08070	33.3
135.11699	61.3
136.17361	0.4
137.09593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
55.01892	0.4
55.05524	3.4
56.78683	0.3
57.07096	0.7
65.03959	0.7
67.05502	0.5
69.07090	1.5
71.02983	0.5
77.03917	0.3
79.05501	9.8
81.07072	1.3
89.03932	0.4
91.05485	16.8
92.17743	0.3
93.07051	41.8
94.07829	0.4
95.04990	3.0
95.08604	0.3
101.07383	0.5
103.05422	0.3
103.72401	0.3
105.04554	0.6
105.07039	11.7
106.07849	0.5
107.04964	1.6
107.08604	100.0
109.06519	4.5
115.05480	1.2
117.03405	0.6
117.07026	2.6
119.06061	2.8
119.08585	13.3
119.28566	0.3
120.09371	3.2
133.10147	1.6
135.04445	5.0
135.05443	0.5
135.06554	0.4
135.08075	14.3
135.11700	58.3
137.09650	1.2
140.18794	0.3
147.09154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03937	0.8
55.05515	3.8
56.82084	0.7
57.07083	1.1
58.47798	1.0
61.77202	0.8
67.05505	1.6
69.07065	3.4
70.51768	0.7
71.03000	7.6
72.49450	0.8
79.05505	13.6
80.03504	3.6
81.07055	1.7
82.53767	4.4
91.04942	0.8
91.05486	17.8
93.07047	43.8
93.56153	1.8
94.06503	0.8
95.04948	3.7
96.08142	1.2
97.72592	1.0
98.97576	2.0
100.47004	0.8
101.07354	1.6
104.54081	1.0
105.04541	0.9
105.07033	8.6
107.04951	3.5
107.08599	100.0
109.06515	4.4
114.08090	0.9
116.98638	1.8
117.07024	3.2
119.08577	16.0
120.08105	3.2
120.09365	3.8
133.10201	1.2
135.04411	13.0
135.05472	1.7
135.06602	1.8
135.08072	20.7
135.11693	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	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77647	0.5
55.01863	0.9
55.05524	4.5
55.30978	0.5
57.07082	1.6
57.98979	0.5
60.44228	0.6
67.05502	3.2
69.07066	2.7
71.03003	4.7
77.03915	0.7
79.05503	18.9
80.03496	1.4
81.07055	2.8
82.53770	1.5
91.05487	18.3
93.07050	48.2
95.04980	4.9
103.05503	1.0
105.07027	9.6
107.04974	5.1
107.08602	100.0
109.06506	3.0
115.05442	1.4
115.46307	0.6
116.98620	1.3
117.07035	3.3
119.06077	1.3
119.08591	13.1
120.09373	3.0
133.09978	0.6
134.99765	0.8
135.04500	7.2
135.05547	2.0
135.06580	4.8
135.08054	25.3
135.09070	1.5
135.11699	77.7
137.09544	0.9
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
53.00327	0.3
53.03960	0.6
55.05525	5.3
57.06517	0.1
57.07088	1.3
59.09826	0.1
61.77889	0.1
65.03954	0.7
67.05514	0.7
69.07073	2.2
76.88968	0.1
77.03944	0.6
79.05502	9.5
81.07067	1.6
89.03890	0.2
91.05486	15.9
93.07051	53.9
94.07826	0.5
95.04976	3.5
95.08611	0.5
97.04045	0.1
98.97598	0.7
105.04523	1.0
105.07040	9.2
106.07800	0.4
107.04971	1.9
107.08604	100.0
109.06524	3.7
116.98618	0.5
117.03355	0.2
117.07043	1.0
117.13391	0.1
119.06072	2.1
119.08585	7.9
120.09369	2.6
133.10110	0.6
135.04465	2.7
135.05492	0.3
135.08122	2.1
135.11699	64.4
137.09613	0.8
147.09067	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.95389	0.5
53.03935	0.6
53.75518	0.5
55.01890	0.8
55.05524	5.6
56.99626	0.5
57.07068	0.7
57.66616	0.5
60.54690	0.5
65.03928	0.5
67.05499	2.3
69.03410	0.8
69.07053	2.9
71.02993	15.7
79.05072	0.7
79.05505	16.0
80.03513	4.0
81.07054	2.3
82.53781	8.1
91.05485	20.0
93.07047	54.0
95.04984	4.9
98.02219	0.5
105.04517	0.5
105.07043	10.0
107.04961	1.0
107.08601	100.0
109.06504	5.1
111.14979	0.6
115.05478	0.9
117.07023	3.4
119.06081	2.6
119.08596	9.8
120.00994	0.5
120.09351	2.7
121.62080	0.5
133.10143	0.8
135.04459	4.8
135.05376	0.8
135.06586	1.2
135.08073	15.7
135.11699	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	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94441	0.9
55.05504	5.1
55.20106	0.9
67.05518	10.6
69.07055	5.1
71.02991	13.2
79.05497	35.8
80.03490	5.4
81.07058	6.5
82.53361	1.1
82.53777	9.8
91.05489	13.3
91.54262	2.0
93.07051	56.2
94.04552	1.4
95.04945	2.1
98.74290	1.0
102.33392	1.1
105.06991	3.8
107.04928	1.5
107.08600	71.7
109.06487	2.1
110.59052	1.1
117.06978	1.5
119.08568	1.7
135.04416	2.6
135.06604	1.3
135.07074	1.6
135.08075	18.4
135.09050	1.7
135.11694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
54.58455	0.9
55.05123	0.8
55.05512	2.0
56.98821	0.7
59.52195	1.6
59.64643	0.8
62.02461	4.3
63.12479	0.8
64.62645	1.1
67.05511	9.0
69.07085	1.9
71.02993	100.0
71.53038	5.2
73.53252	1.2
79.05511	24.0
80.03516	22.2
80.53568	1.0
81.07076	7.7
82.53782	63.7
83.03853	1.3
91.00111	2.0
91.05476	6.7
91.50275	2.0
91.54282	8.1
93.07047	43.4
94.04564	5.0
95.04975	1.2
100.02496	2.3
100.93000	0.8
101.01590	0.9
105.07051	3.6
107.04962	4.0
107.07881	2.0
107.08601	58.4
109.06528	1.8
115.05473	0.9
117.07051	1.1
119.08585	1.1
135.04425	4.9
135.05537	4.0
135.06638	4.4
135.08041	9.1
135.08997	1.6
135.11700	78.7
140.03995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.83976	0.8
55.05508	2.0
59.52203	1.2
60.43355	1.0
62.02470	8.5
63.36795	0.9
66.22107	1.0
67.05510	21.1
69.07053	1.6
71.02994	100.0
71.53039	2.4
73.53222	1.2
75.49765	1.1
79.05502	24.8
79.57499	1.0
80.03520	27.7
81.07050	8.2
82.53311	2.3
82.53785	61.9
83.03835	4.8
91.00114	1.3
91.05482	7.2
91.50268	1.8
91.54306	9.9
93.07053	34.1
94.04549	7.4
94.06560	1.3
100.00674	1.3
100.02479	2.6
105.07059	1.4
107.04942	4.1
107.08605	50.7
109.06474	1.2
115.72666	1.1
126.80843	1.2
135.04419	5.3
135.05482	2.0
135.06595	4.7
135.08092	22.4
135.11696	66.5
147.28165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05507	3.2
57.07082	1.0
57.19327	0.6
67.05489	0.9
71.02979	3.0
76.37691	0.6
79.05502	13.3
80.03511	0.8
81.07049	1.1
82.53757	1.2
89.03936	0.8
91.05479	14.9
92.17867	0.9
92.53538	0.6
93.07047	43.0
95.04955	2.7
98.97639	0.8
105.07038	8.9
107.04939	3.9
107.08599	100.0
109.06516	3.6
115.05482	0.7
117.03347	0.9
117.07038	2.8
119.06045	2.6
119.08574	13.7
120.08112	0.8
120.09378	2.6
123.77020	0.6
126.24776	0.6
135.04408	7.5
135.05484	1.4
135.06548	1.1
135.07080	0.8
135.08084	15.3
135.11694	80.5
137.09656	0.7
152.97882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.51678	1.1
53.34271	0.5
55.05509	1.0
59.52190	1.0
59.86361	0.6
62.02458	5.8
67.05499	3.6
68.52689	0.6
71.02988	100.0
71.53032	5.7
71.56655	0.6
73.53239	3.1
78.03765	1.6
79.05485	8.5
80.03513	28.6
80.53559	0.7
81.07040	1.5
82.01467	1.1
82.53777	59.0
83.03822	4.2
90.89454	0.7
91.00105	3.1
91.05488	0.9
91.50275	2.8
91.54300	10.1
93.04524	1.0
93.07042	15.1
94.04549	6.2
94.06574	1.6
100.02502	3.2
100.50810	0.9
103.01044	2.9
107.08591	14.5
109.22782	0.6
118.03509	0.7
135.04482	1.6
135.05586	1.9
135.06598	6.1
135.07991	4.0
135.09058	2.0
135.10112	0.8
135.11696	26.5
144.97430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27685	0.3
52.96235	0.3
53.03954	0.4
55.01883	0.5
55.05291	0.3
55.05528	5.1
57.07079	1.4
59.05020	0.5
60.52684	0.3
65.03957	0.5
67.05516	0.6
67.66602	0.3
69.03423	0.3
69.07071	2.3
71.02990	0.5
71.22596	0.3
77.03935	0.5
79.05091	0.6
79.05499	12.6
80.70864	0.3
81.07079	0.8
82.53790	1.2
85.38420	0.3
87.96276	0.3
89.03931	6.3
91.05483	15.5
93.07050	51.0
95.04972	4.3
95.08570	0.5
98.07822	0.3
98.97592	0.7
101.01665	0.3
103.05462	0.3
105.04520	0.5
105.07037	8.8
106.07858	0.4
107.05004	3.6
107.08603	100.0
109.06538	4.3
116.98615	0.6
117.03384	2.5
117.07020	1.5
119.06046	1.3
119.08595	7.6
120.09373	2.5
126.50484	0.3
130.71892	0.3
134.99663	0.4
135.04462	23.8
135.05441	1.0
135.06609	1.6
135.08070	7.7
135.11696	61.2
137.09624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.69553	0.6
55.05523	1.4
57.07075	1.1
69.07069	1.6
71.02982	1.5
77.03923	0.9
79.05517	8.4
81.07064	1.4
82.53800	1.6
91.05487	13.2
93.07053	45.0
95.04962	2.6
105.07044	9.2
107.08605	100.0
109.06512	3.3
115.80984	0.7
119.06104	0.7
119.08578	17.5
120.09347	4.0
131.56035	0.7
133.10159	1.1
135.04434	1.3
135.08083	6.1
135.11700	84.7
137.07513	0.9
137.09573	1.0
142.76640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.4
55.05279	0.5
55.05525	6.2
57.07089	1.1
65.03953	0.3
67.05512	1.5
69.07063	2.8
72.47229	0.2
72.49895	0.3
76.59614	0.3
77.03928	1.5
79.05500	10.8
81.06627	0.3
81.07063	2.4
86.70976	0.3
91.05481	15.9
93.07047	57.6
94.07841	0.3
95.04983	3.2
95.08598	0.3
105.04521	0.7
105.07036	8.8
106.07791	0.6
106.18040	0.3
107.08600	100.0
109.06538	3.6
117.07040	0.4
119.06078	1.7
119.08580	7.6
120.09355	2.4
133.10135	0.5
135.04405	0.3
135.08072	1.3
135.11696	63.5
137.09636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.4
53.46154	0.2
55.05523	5.5
56.51331	0.2
57.07080	1.1
59.84916	0.2
65.03947	0.3
67.05511	0.9
69.07069	2.1
71.03006	0.2
75.08990	0.2
77.03926	0.8
79.05501	9.4
81.07066	2.0
91.05483	16.5
93.07047	53.4
94.07816	0.2
95.04976	3.3
95.08632	0.4
98.97569	0.2
105.04518	0.4
105.07034	9.0
106.07880	0.2
107.04957	0.8
107.08598	100.0
109.06506	3.7
115.05419	0.3
117.07058	0.3
119.06089	1.6
119.08584	7.2
120.09354	2.6
133.10110	0.7
135.04442	0.7
135.05444	0.2
135.08110	2.4
135.11696	61.0
137.09673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Isochavicol
Peak:m/z	Relative Intensity
50.51660	0.5
52.41157	0.5
55.01883	2.0
59.52188	0.6
62.02469	4.6
63.13954	0.5
65.03945	0.7
65.12748	0.5
67.05516	0.7
69.03432	0.9
71.02994	62.7
71.53090	0.5
73.53263	0.8
78.03772	0.6
79.05508	6.9
80.03519	14.9
82.01443	0.7
82.53783	36.2
82.54273	1.2
83.03853	0.6
91.00107	0.9
91.05485	4.8
91.54293	4.9
93.07051	5.6
94.04558	2.4
94.06565	0.9
95.04984	12.6
100.00662	0.9
100.02496	1.1
105.07034	2.9
107.04965	79.8
107.08603	13.9
109.06506	1.2
112.21607	0.5
115.05459	1.9
117.07017	3.5
135.04431	2.7
135.08064	100.0
135.11641	5.5
141.50974	0.5
143.86186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0807
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.22370	0.2
51.02385	0.5
52.43874	0.2
53.03940	0.3
55.01892	0.3
55.39756	0.2
62.51980	0.2
63.84290	0.2
69.07065	0.4
71.02986	1.1
77.03936	0.5
79.05067	0.4
79.05505	6.6
89.03906	0.5
91.05489	7.5
93.07053	7.0
95.04971	3.5
98.97562	0.5
102.04707	0.4
103.05476	100.0
105.04520	1.4
105.07039	45.0
107.04968	1.9
107.08609	6.6
109.06515	1.1
115.05462	10.0
117.03376	0.5
117.07021	19.2
120.05711	2.2
120.08133	0.4
135.02718	0.5
135.04459	5.2
135.08067	34.6
135.09128	2.3
135.11659	3.0
154.33772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.58688	0.3
52.18054	0.3
53.50344	0.3
55.01878	0.9
65.03944	1.4
67.05502	1.6
69.03429	1.7
69.07075	0.8
71.02984	0.8
72.16841	0.4
79.05070	0.6
79.05504	12.3
91.05484	23.6
91.06059	0.8
93.07050	4.7
95.04981	0.7
96.08145	0.5
98.97639	0.5
103.05447	0.3
105.07030	10.4
107.04961	3.6
107.08601	44.2
109.06525	8.4
115.05458	19.4
116.06223	0.6
117.07020	23.9
119.06071	4.3
119.08581	0.5
120.05682	0.7
120.08116	0.8
133.06502	1.5
134.09644	0.4
135.08061	100.0
135.11621	3.5
142.60657	0.4
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	Isochavicol
Peak:m/z	Relative Intensity
56.72724	0.3
56.81424	0.3
63.31821	0.3
65.03951	0.7
66.90857	0.4
70.14639	0.4
71.02995	12.3
75.66727	0.3
79.05503	3.5
80.03513	3.5
80.63927	0.4
82.03303	0.4
82.53777	6.2
91.05486	11.1
91.54290	0.9
92.06278	0.3
93.07051	0.7
103.25141	0.4
105.07033	10.1
107.04983	0.8
107.08602	100.0
109.06517	5.8
115.75166	0.4
119.06042	3.4
135.08061	13.3
135.09027	0.7
135.11716	1.7
135.13252	0.4
141.15536	0.4
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	Isochavicol
Peak:m/z	Relative Intensity
50.28170	0.8
55.01869	1.8
55.05507	5.8
62.02461	5.0
62.46428	1.1
67.05495	6.0
69.03443	1.2
69.07060	5.3
70.28629	1.0
71.02989	100.0
71.04999	1.8
71.53008	1.4
73.53244	2.3
76.79054	0.9
78.02946	0.9
78.03766	2.4
79.05085	1.1
79.05502	28.4
80.03513	22.6
81.07055	4.3
82.53782	62.2
91.00149	1.0
91.05485	35.1
91.50269	1.3
91.54281	6.0
93.07046	46.9
94.04567	7.2
94.06560	1.4
95.04958	2.4
99.82867	1.1
100.02474	2.0
104.23975	1.1
105.07029	17.1
107.04942	4.8
107.08598	91.4
109.06512	8.3
115.05466	1.7
117.06986	7.4
119.06046	1.1
119.08567	4.4
120.09351	1.2
135.04433	5.3
135.05531	4.0
135.06596	3.7
135.08064	53.5
135.09137	3.6
135.11690	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49654	0.6
52.90238	0.6
53.03954	0.9
54.02319	0.7
56.96568	1.2
61.66027	0.6
63.02366	0.8
64.28580	0.7
71.02984	1.0
74.93819	1.3
78.11698	0.6
79.05501	15.1
89.03925	34.1
93.07056	0.9
95.04966	4.1
98.97592	15.1
107.04973	22.1
107.08601	3.8
111.03659	0.7
116.98611	6.0
117.03383	24.0
134.99698	1.4
135.04424	100.0
135.06575	2.1
135.08058	5.5
135.11702	0.9
139.46327	0.7
145.03970	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.27231	0.4
54.63725	0.4
60.84120	0.5
63.02378	1.0
76.77461	0.5
77.03935	1.0
79.05503	8.4
89.03920	38.9
91.05399	0.5
95.04971	2.8
98.97597	9.3
107.04967	15.3
107.08573	1.3
116.98623	3.1
117.03378	33.8
135.04420	100.0
135.09160	4.0
145.04010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0443
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
55.01880	0.9
59.82818	0.4
63.02386	0.8
67.05508	0.5
79.05504	9.9
81.03418	0.5
89.03925	41.8
89.16333	0.4
91.05492	0.6
95.04967	3.9
98.97579	0.8
105.04502	0.7
107.04974	14.6
107.08615	0.9
116.98683	0.5
117.03386	32.8
117.07052	1.0
135.04428	100.0
135.08057	8.3
135.09058	0.8
135.10004	2.2
145.04002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16092	0.4
58.29071	0.4
59.88671	0.5
63.02371	0.6
68.32674	0.5
72.85479	0.5
77.03925	0.7
79.05071	0.5
79.05499	9.4
82.92681	0.4
89.03921	36.5
89.80595	0.5
92.05478	0.5
92.87331	0.4
95.04980	2.9
98.97585	2.5
107.04961	12.0
107.08569	0.5
108.80148	0.5
116.98635	0.6
117.03378	30.8
124.08211	0.5
135.04420	100.0
145.03967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0966
Annotation	2-AI
Peak:m/z	Relative Intensity
50.05196	0.5
50.57872	0.5
51.07035	0.5
51.28592	0.5
53.21054	0.5
56.96349	0.5
56.96575	8.3
65.32877	0.6
74.02432	3.7
74.93829	9.6
79.05479	0.9
79.61400	0.6
80.51297	0.6
83.25498	0.6
88.02200	1.4
88.03989	4.3
91.05466	1.0
92.94884	2.7
93.07034	0.8
97.99162	1.2
100.07649	0.8
106.03266	0.9
106.06544	4.1
106.07272	0.8
115.05441	0.7
115.96445	9.5
117.07015	2.5
132.08136	0.8
133.97386	1.1
134.06052	9.5
134.09650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94092	1.0
58.06622	0.3
59.99114	3.3
67.30247	0.3
72.04524	67.4
74.09722	15.8
83.93053	0.5
88.02221	11.0
89.13705	0.3
90.00146	2.3
90.50306	1.4
91.00127	3.0
99.00650	1.6
100.00650	2.0
100.07626	100.0
101.50949	0.5
102.50919	1.5
106.03274	2.4
106.06576	0.4
111.51453	0.3
112.10021	0.3
116.05317	8.9
121.95733	0.5
123.14082	0.3
134.06357	70.0
139.96753	0.3
144.02962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0636
Annotation	4-Methylthiobutanaldoxime
Peak:m/z	Relative Intensity
50.32017	0.2
51.96602	0.2
53.00488	0.2
56.05045	4.5
59.99123	7.5
60.94563	0.2
72.08141	0.8
74.02441	4.4
75.71540	0.2
78.00168	1.5
79.76722	0.2
79.91402	0.2
88.02222	24.9
88.03996	2.0
90.40175	0.2
105.02473	1.6
106.03262	13.6
116.03425	0.2
116.05318	8.3
134.06361	100.0
146.60509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05509	0.7
57.03439	0.6
64.25647	0.4
70.98611	0.4
73.02926	1.1
73.98080	0.5
74.29423	0.5
79.05480	0.9
89.00258	8.5
89.50348	8.0
90.00134	7.4
91.05497	6.9
92.00085	0.5
93.07057	1.2
98.00774	8.4
98.50853	8.3
99.00648	8.7
100.51051	2.3
101.01148	4.1
101.50920	4.3
103.05460	0.6
105.03403	0.8
105.07039	29.5
105.39209	0.5
107.51350	0.6
110.01730	1.0
113.01744	0.5
115.05499	0.6
117.07008	1.1
117.95978	1.8
118.04256	0.5
118.07789	2.8
118.96065	0.5
119.95707	2.4
119.96638	0.4
131.08574	5.3
133.02861	2.3
133.06529	14.7
133.07565	1.9
133.10135	100.0
135.97032	0.9
136.97061	0.6
137.96770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
54.51490	0.3
54.51834	0.3
55.01849	0.4
55.05507	1.7
66.63451	0.3
67.61769	0.3
71.06413	0.3
77.03916	0.5
79.05494	2.6
80.49049	0.3
89.00283	0.5
89.50336	0.8
90.00123	2.4
90.47033	0.3
91.05484	12.6
93.07049	1.9
94.72081	0.3
95.04993	0.6
98.00789	0.5
98.50900	1.9
99.00644	0.7
101.50924	0.4
103.05501	2.6
105.03395	1.5
105.07042	52.4
110.51440	0.3
115.05475	0.9
117.07059	1.7
118.04192	2.9
118.07770	1.5
123.03328	0.4
131.08560	5.8
133.02873	1.6
133.06509	37.7
133.10138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11714	0.4
63.81051	0.3
65.06611	0.3
72.93787	0.4
73.93837	0.8
79.05504	1.6
79.42832	0.4
80.99626	0.4
87.10037	0.8
89.00257	5.3
89.50344	3.4
90.00127	3.5
91.05476	6.5
93.07041	2.2
98.00758	2.3
98.50854	2.1
99.00651	3.1
100.51031	0.6
101.01156	1.7
101.50919	1.8
103.05460	0.8
105.03438	0.5
105.07038	32.3
110.01627	0.5
115.05428	0.6
117.06965	0.6
117.96024	0.5
118.04134	0.6
118.07769	1.7
119.95705	0.5
131.08614	3.1
133.02843	1.5
133.05469	0.9
133.06506	24.1
133.07573	2.0
133.10133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05526	0.2
55.31483	0.2
74.25757	0.2
79.05502	1.2
87.10033	0.2
89.00259	4.7
89.50346	4.9
90.00133	5.4
91.05489	4.1
93.07052	1.7
95.04945	0.4
98.00789	3.9
98.50893	3.0
99.00652	3.7
100.51038	0.6
101.01170	2.5
101.50945	1.4
103.05443	0.9
105.03423	0.3
105.07040	22.1
107.08560	0.3
110.01736	0.4
110.51426	0.2
115.05475	1.1
117.06993	1.0
117.95980	1.0
118.04208	0.5
118.07012	0.2
118.07813	1.2
118.96011	0.4
119.95740	0.5
120.96545	0.3
131.08586	3.2
133.02850	1.2
133.06512	15.4
133.10138	100.0
135.97054	0.5
137.96797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05502	0.4
73.02924	0.2
73.93803	0.3
77.03909	0.2
79.05488	1.4
87.09987	0.2
89.00255	4.0
89.06008	0.2
89.32898	0.2
89.50299	3.4
90.00130	4.8
91.05482	4.4
93.07045	0.9
95.04974	0.3
98.00779	3.1
98.50857	2.6
99.00645	3.7
100.51037	1.2
101.01166	1.9
101.50892	1.7
103.05476	0.9
105.07037	20.5
108.01167	0.2
109.51568	0.2
110.01625	0.3
110.51482	0.2
115.05444	1.1
117.07053	1.4
117.95999	1.4
118.04169	0.7
118.07801	1.8
118.96004	0.2
118.96791	0.2
119.95738	1.0
131.08543	2.6
133.02876	1.0
133.06506	14.6
133.10133	100.0
135.97032	0.3
137.96780	0.2
140.97574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05521	1.7
59.93106	1.3
67.05490	1.5
72.60738	1.1
73.80357	1.1
79.05498	4.5
79.99670	1.0
80.99599	2.1
87.81908	1.4
89.00262	93.3
89.50383	80.5
90.00137	94.6
90.02034	1.4
91.04937	1.8
91.05489	55.7
91.50524	1.6
92.00593	1.7
92.05778	1.5
92.50449	1.3
98.00780	59.9
98.50855	51.2
99.00655	68.9
100.51053	33.4
101.01145	50.3
101.50920	50.3
105.07041	95.7
107.01306	2.4
107.51254	1.7
108.01180	4.9
109.51561	6.3
110.01640	11.3
110.51464	8.5
112.01839	4.7
112.51934	5.7
113.01703	4.6
117.95980	22.9
118.95997	9.3
118.96771	5.4
119.95745	17.3
119.96702	1.7
119.96848	1.6
120.96500	5.1
123.02073	1.2
123.47591	1.2
131.08575	7.4
133.06523	9.6
133.07625	5.8
133.10141	100.0
135.97040	12.8
136.97168	2.8
137.96793	11.4
140.97585	6.9
141.97708	2.1
142.97360	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	133.065
Annotation	Cinnamaldehyde
Peak:m/z	Relative Intensity
55.00609	0.4
55.01883	0.9
56.58713	0.4
58.85627	0.4
69.07056	1.9
72.78016	0.5
72.93819	0.5
73.06557	0.8
79.05502	2.5
89.00271	0.5
91.05485	2.6
95.04966	0.8
103.05468	1.0
105.03406	0.8
105.07041	42.1
112.60482	0.5
115.05464	1.0
133.06502	100.0
133.10124	15.8
133.11107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
79.05500	3.2
79.67947	0.5
87.10011	0.8
89.00246	4.9
89.50337	3.9
90.00121	2.5
90.04710	0.7
90.78789	0.5
91.05486	5.8
93.07048	0.6
95.04995	0.9
98.00790	3.9
98.50853	4.4
100.51034	0.5
101.01157	3.3
101.50903	0.7
103.05475	3.9
105.03393	0.7
105.07038	39.9
115.05434	1.3
115.91819	0.5
117.95978	1.2
118.04163	7.8
131.08572	0.8
133.02820	2.5
133.06497	100.0
133.10129	30.0
149.24117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Cinnamaldehyde
Peak:m/z	Relative Intensity
55.01880	1.3
55.39382	0.2
60.42091	0.2
61.15722	0.1
67.84401	0.2
74.95621	0.2
77.03950	0.3
79.05499	3.4
89.00257	0.5
89.50384	0.3
91.05488	1.9
93.07042	0.2
95.04984	0.4
98.50895	0.2
103.05476	2.1
105.03439	0.3
105.07040	39.3
115.05471	1.3
118.04163	0.9
131.04951	0.4
131.08583	0.7
133.02866	1.0
133.06500	100.0
133.10132	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	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.18532	0.4
59.34724	0.4
63.80857	0.4
64.38218	0.4
64.39243	0.4
64.74394	0.4
71.81753	0.4
73.98909	0.6
79.05490	2.7
82.15090	0.4
91.05476	2.1
92.18468	0.7
94.90727	0.5
95.04963	0.5
98.00752	0.6
98.50890	0.5
103.05439	3.8
105.07035	32.6
115.05442	0.7
118.04144	6.0
121.82210	0.5
129.60448	0.6
131.08592	0.7
133.06491	100.0
133.10120	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	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24376	0.3
52.05824	0.3
55.01870	0.7
56.33927	0.3
62.41326	0.3
69.03411	0.3
69.07063	1.8
72.93780	0.7
73.06551	1.9
73.93839	0.5
77.03929	0.3
79.05507	2.6
87.10049	0.6
89.03925	0.5
90.04703	0.6
91.05470	1.3
95.05009	0.3
97.02850	0.4
97.06589	0.5
99.12103	0.3
103.05461	2.6
105.07035	28.7
105.24532	0.3
114.96442	0.3
115.05438	0.5
118.04160	5.9
118.06058	0.4
123.07927	0.4
131.04895	0.4
133.06494	100.0
133.08408	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	132.1497
Annotation	Caldine
Peak:m/z	Relative Intensity
52.29989	0.3
57.03438	0.6
58.06608	58.0
61.01161	0.3
69.97210	0.3
70.06595	5.0
72.93794	14.4
75.09245	12.6
84.04490	0.3
86.09702	4.0
87.09232	0.5
88.52139	0.4
89.00247	1.3
90.94830	3.1
91.05500	0.3
97.01026	0.4
98.00784	1.6
98.09697	96.9
100.51036	0.6
113.96407	7.3
115.12330	100.0
131.97475	2.2
132.04404	0.3
132.05742	0.4
132.06583	3.0
132.08023	0.3
132.14967	96.4
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	Leucine
Peak:m/z	Relative Intensity
50.04824	0.1
52.55009	0.1
56.17250	0.1
69.07075	0.8
72.83820	0.1
72.93811	0.1
81.83035	0.1
86.09712	100.0
98.71882	0.1
108.68423	0.1
118.02773	0.1
132.10216	2.3
132.11168	0.1
146.59508	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	132.1021
Annotation	L-Norleucine
Peak:m/z	Relative Intensity
56.05033	0.1
56.96581	0.1
57.03462	0.1
57.38813	0.1
58.06607	0.2
58.99873	0.2
60.05660	2.7
61.88902	0.1
64.18929	0.1
68.05038	0.1
69.07075	3.3
70.06593	0.1
70.99850	0.2
72.04530	1.9
72.05644	8.3
72.93793	4.6
73.02924	0.4
77.00904	0.1
78.51343	0.1
80.20733	0.1
82.01452	4.0
84.04507	0.6
85.03373	0.1
86.03548	0.2
86.04957	0.1
86.06071	0.9
86.09711	100.0
87.04462	0.2
89.00262	0.1
90.05557	8.7
90.94836	1.1
91.02440	0.3
92.26901	0.1
100.02490	8.9
105.05750	0.1
111.09385	0.1
113.95652	0.2
113.96399	2.4
114.04045	0.8
114.06653	4.6
115.05061	3.0
118.03517	2.2
123.04058	0.1
131.97429	0.7
132.06746	0.6
132.07689	16.3
132.10216	2.8
132.13857	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	132.0811
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
51.78529	0.3
55.05510	0.6
56.05038	0.6
56.67350	0.3
57.03441	0.7
58.02960	0.5
58.06619	0.4
60.05655	2.5
61.05342	0.5
61.05987	0.4
69.07079	2.3
72.08161	6.7
72.93794	37.0
73.08492	6.3
79.81264	0.3
84.04495	0.4
86.06062	0.8
86.09713	31.2
89.00243	1.1
90.05547	0.4
90.94825	9.6
91.05485	1.5
91.07659	0.8
94.06583	0.5
95.04990	0.4
97.01029	0.5
97.07684	0.4
98.00774	1.8
100.51035	0.3
103.05476	0.3
104.05006	3.5
104.05806	2.3
105.07067	4.1
105.64597	0.3
108.95852	0.5
109.01072	0.4
110.07155	0.4
113.96405	16.6
115.05471	3.4
115.08681	0.6
115.10643	2.1
117.05762	13.2
130.06557	2.7
131.07295	0.8
131.97440	4.0
132.04462	18.8
132.06694	3.9
132.08096	100.0
132.13272	1.6
136.08633	0.4
138.10332	0.4
150.12842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0771
Annotation	3-Guanidinopropanoate
Peak:m/z	Relative Intensity
51.21440	0.2
51.54972	0.2
55.01863	0.6
55.03001	0.8
55.05538	0.9
58.06608	0.3
60.05662	16.4
60.08171	4.6
61.04037	0.7
62.99435	0.3
68.95337	0.5
69.07064	1.5
69.96940	0.3
72.04147	0.6
72.04530	12.2
72.05649	54.5
72.08153	2.0
72.93798	11.6
73.02934	2.8
73.04038	0.4
73.06548	2.0
77.34905	0.4
82.01454	6.9
84.04513	0.6
86.03549	1.8
86.06068	4.6
86.09716	54.4
87.04466	1.6
90.05563	51.0
90.94824	2.5
91.02457	0.4
93.50089	0.3
97.03992	0.7
98.02447	0.5
98.06071	1.5
100.02493	13.2
102.41623	0.4
113.96413	7.3
114.04065	1.2
114.06660	28.2
114.09150	1.5
115.05061	19.2
115.08699	1.3
118.03537	2.7
131.97438	1.3
132.07697	100.0
132.10207	4.8
132.13852	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	131.1294
Annotation	Agmatine
Peak:m/z	Relative Intensity
56.96578	0.3
57.93585	0.2
60.05659	37.2
67.49186	0.3
67.51067	0.2
68.48590	0.1
69.98956	0.1
71.31169	0.1
72.08163	100.0
76.51591	0.9
77.99944	0.2
78.99959	0.8
79.01841	0.6
85.04824	0.2
85.52132	0.3
87.00481	3.5
87.50683	2.2
88.00486	25.7
88.02379	1.9
90.50774	0.6
91.05502	1.1
95.01273	0.6
96.00977	0.7
96.51157	0.2
97.01009	21.7
97.02892	0.4
97.07032	0.2
97.07661	5.8
99.01413	0.6
99.51280	11.8
103.05479	7.0
103.06006	0.1
105.46603	0.1
106.01520	1.9
108.51797	2.7
111.02089	0.6
113.96369	1.2
114.10296	33.6
114.96537	0.1
115.96439	6.4
116.97231	1.9
129.70888	0.2
131.04919	2.4
131.06876	0.8
131.08572	4.3
131.11847	1.5
131.12921	17.7
131.97430	0.7
133.97472	3.6
138.98024	1.7
139.50880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.1294
Annotation	Agmatine
Peak:m/z	Relative Intensity
55.03007	0.2
55.05519	0.2
56.05018	0.1
59.04969	0.1
60.05659	36.8
62.33192	0.1
67.05517	0.1
71.16696	0.1
72.08162	100.0
76.51563	0.3
79.01853	0.3
85.02874	0.2
85.04852	0.3
85.52103	0.1
87.00458	1.3
87.50595	0.7
88.00489	4.0
88.02372	0.7
91.05483	0.8
94.47106	0.1
95.04981	0.2
95.08633	0.1
97.00407	0.2
97.01006	3.5
97.07029	0.2
97.07660	5.0
98.51298	0.2
99.51286	1.4
103.05476	3.0
108.51811	0.3
113.06001	0.5
113.96417	0.3
114.10293	31.4
115.96438	1.0
116.06216	0.2
116.97237	0.2
119.45436	0.1
126.14413	0.1
131.04929	3.8
131.05959	0.3
131.06920	1.4
131.08562	2.5
131.11844	1.5
131.12921	18.1
133.97473	0.7
138.98030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.1293
Annotation	Agmatine
Peak:m/z	Relative Intensity
56.22844	0.2
60.05658	37.7
63.66502	0.2
72.08161	100.0
88.00489	0.9
88.73014	0.2
97.01006	1.1
97.07656	5.9
103.05459	1.1
108.91022	0.2
114.10291	32.4
131.08551	0.2
131.12929	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	131.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13073	0.1
55.05519	0.2
55.84773	0.1
58.00266	0.1
60.05656	37.2
65.48273	0.1
72.08160	100.0
87.00455	0.2
88.00490	1.1
88.02300	0.1
89.10813	0.2
97.00997	0.6
97.07661	5.2
103.05473	0.9
106.38209	0.1
114.10291	32.3
115.96423	0.2
131.04942	0.2
131.08569	0.3
131.12929	19.5
133.97437	0.2
148.29430	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	131.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61386	0.4
53.03942	0.5
58.33512	0.4
58.57299	0.4
60.27298	0.3
65.50931	0.4
74.40472	0.5
77.03932	0.9
78.95270	0.4
87.00462	0.7
87.50562	1.0
88.00475	1.1
91.05475	1.0
93.00458	0.4
95.04955	2.9
97.01031	0.6
103.05473	100.0
131.04932	40.6
131.05959	0.8
131.08549	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13357	0.2
51.57494	0.2
53.03955	0.5
56.51188	0.2
60.05660	0.2
72.08156	1.0
77.03961	0.4
88.00497	0.5
89.43781	0.2
91.05508	0.8
95.04964	2.9
96.61777	0.2
102.04691	0.8
103.05478	100.0
103.87931	0.2
105.04529	1.1
116.32617	0.3
129.07059	0.2
130.06531	3.5
131.04938	38.8
131.07304	10.9
131.08575	4.0
131.11844	0.4
134.44073	0.2
137.27434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
60.60711	0.3
63.72844	0.2
68.90115	0.2
77.03929	0.7
78.47059	0.3
88.00483	0.5
95.04964	3.1
103.05480	100.0
105.04492	0.5
109.46518	0.3
114.10308	0.3
115.34989	0.3
117.94229	0.3
131.04938	39.4
131.06863	2.0
131.08592	0.4
131.11736	0.3
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
50.01604	0.2
54.59278	0.2
60.05650	0.3
69.33693	0.2
69.76654	0.2
69.99773	0.2
72.08160	1.3
73.52042	0.2
77.03921	0.3
85.04845	1.2
86.06030	0.3
87.00469	7.6
87.50623	5.9
87.99969	0.5
88.00487	7.4
88.02387	0.5
89.48061	0.3
91.05494	1.1
95.04977	2.5
96.00980	1.1
96.51115	0.4
97.01019	5.4
98.51219	0.5
99.01386	1.5
99.51265	3.5
103.05474	100.0
105.04508	1.2
106.01540	0.4
108.51774	0.5
109.56235	0.3
113.96391	2.4
114.96727	0.3
115.96426	1.6
116.97137	0.3
130.06554	0.5
131.04927	38.4
131.06856	8.0
131.08531	6.3
131.11803	3.8
131.97427	1.4
132.97556	0.3
133.97469	0.9
138.98036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.3
53.03966	0.4
56.69912	0.2
60.05667	0.5
65.74774	0.3
67.05537	0.2
72.08170	2.4
77.03947	0.4
87.00464	2.4
87.50600	1.1
88.00497	1.1
91.05470	2.1
95.04973	2.3
96.00977	0.3
97.01019	1.3
99.51260	0.5
102.04709	0.5
103.05476	100.0
105.04540	1.0
113.96440	0.6
114.10289	0.4
114.96564	0.4
120.55973	0.3
124.20078	0.2
129.07021	0.3
131.04932	39.3
131.08562	7.9
131.11823	1.3
131.12901	0.3
131.16248	0.4
133.97501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33652	0.2
60.05663	0.4
61.07466	0.3
64.28536	0.3
64.55988	0.3
72.08163	2.5
77.03896	0.9
87.00487	0.4
95.04984	3.5
95.41971	0.3
103.05479	100.0
105.04478	0.5
114.10279	0.4
131.04935	41.8
131.08592	1.6
131.16264	1.5
137.96350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54464	0.3
63.96754	0.3
72.08156	0.6
76.51609	0.6
77.99939	0.8
84.04527	0.4
84.99059	0.3
85.04852	1.8
87.00469	10.3
87.50641	8.4
88.00487	14.2
91.05496	3.3
94.71469	0.4
95.04968	2.6
96.00962	1.6
96.51054	0.8
97.01000	12.3
97.99361	0.4
98.42517	0.4
98.51275	2.2
99.01388	0.5
99.51263	4.1
102.04706	0.4
103.05475	100.0
105.04516	0.5
106.01540	0.6
108.51792	1.9
109.72133	0.4
113.96381	4.5
114.96624	0.5
115.96431	3.0
116.97196	0.8
128.89284	0.4
129.06953	0.4
131.04927	37.1
131.06934	1.9
131.08566	10.1
131.11815	3.7
131.97437	1.5
133.97484	1.9
138.98050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1593
Annotation	Octylamine
Peak:m/z	Relative Intensity
57.07085	19.1
59.26615	0.3
72.08160	0.3
74.09724	22.5
76.11397	0.3
77.19440	0.2
92.18470	0.5
130.15923	100.0
136.76338	0.2
141.84026	0.3
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	Unknow
Peak:m/z	Relative Intensity
54.67705	0.3
57.07085	18.1
62.60386	0.2
74.09724	22.9
74.57875	0.2
84.04498	1.4
84.45607	0.3
87.00461	0.6
130.15921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54720	0.2
57.07085	18.0
57.49015	0.2
58.80365	0.2
59.65906	0.2
62.15491	0.3
72.08138	0.3
73.01157	0.3
74.09723	23.3
98.70638	0.3
128.57190	0.2
130.15919	100.0
145.07547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0977
Annotation	4-Guanidinobutanal
Peak:m/z	Relative Intensity
50.02243	0.1
55.52647	0.1
55.56656	0.1
60.05654	1.8
61.76582	0.1
64.43254	0.1
67.69196	0.1
68.05035	0.1
70.06594	100.0
70.94267	0.2
70.95884	0.1
71.04993	3.5
73.95556	0.1
79.67595	0.1
84.04516	2.2
84.08147	1.2
85.06554	0.1
88.07637	0.5
98.56853	0.1
111.96859	0.1
112.08727	20.1
113.11593	0.2
130.05006	0.6
130.08682	0.7
130.09760	8.5
130.12274	2.1
130.14209	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.8
56.96579	1.9
60.05658	2.7
66.11732	0.1
66.19367	0.1
70.06597	100.0
70.98125	0.7
71.04999	5.0
74.09728	0.2
84.04510	29.7
84.06431	0.3
84.08147	13.4
85.02911	0.9
85.06547	0.2
86.50623	0.2
88.07610	1.0
95.01383	0.1
98.07192	0.2
102.05544	0.8
107.04300	0.2
110.39460	0.1
112.08730	18.3
130.05003	5.5
130.08640	6.5
130.09752	9.6
130.12270	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	130.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60382	0.1
56.05044	0.8
57.06884	0.1
57.07085	2.0
58.21560	0.2
59.92123	0.1
60.04547	0.1
64.66068	0.1
67.05510	0.2
70.06596	1.2
70.94230	0.3
70.95850	0.2
71.04967	0.2
74.09729	2.7
77.03919	0.3
77.99946	1.2
84.04510	21.0
84.08148	1.0
85.02902	0.4
86.00681	0.2
86.50618	0.7
87.00468	8.0
95.04973	0.7
96.00967	1.0
98.51260	1.1
100.91444	0.1
102.05544	0.7
103.05468	1.7
111.96901	0.2
112.07629	0.3
113.96382	1.7
128.04945	0.2
130.04971	4.9
130.06532	100.0
130.12256	0.6
130.15918	12.3
131.97438	0.9
146.05994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0654
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.62685	0.1
51.02368	0.2
53.28639	0.1
54.00599	0.1
54.40459	0.1
55.91485	0.1
56.05027	0.8
57.07073	0.8
60.04541	1.3
67.05517	0.3
69.07092	0.2
70.06596	2.5
70.94260	0.9
70.95859	0.4
71.04979	0.6
71.08623	0.8
73.67126	0.2
74.02421	0.1
74.06086	4.3
74.09719	0.7
74.62297	0.2
75.30560	0.1
75.67186	0.2
77.03901	0.2
77.99910	0.2
84.04507	16.1
84.08154	2.5
85.02917	0.6
85.06536	0.3
86.50608	0.4
86.60780	0.1
87.00469	3.9
95.04961	0.7
96.00989	0.7
98.03188	0.2
98.06041	0.2
98.51259	0.7
102.05537	1.1
103.05473	1.8
111.96878	0.3
112.02247	0.2
112.07606	0.8
112.08745	0.2
113.96400	1.0
123.65822	0.1
130.04958	3.9
130.06529	100.0
130.12267	2.3
130.15926	2.6
131.11214	0.2
131.97449	0.3
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
50.19831	0.2
51.02397	0.2
56.05025	0.2
57.07078	0.3
60.91313	0.2
68.21484	0.2
70.06585	1.1
70.94255	0.2
74.09695	0.4
76.61670	0.2
84.04021	0.4
84.04511	10.2
84.05013	0.4
84.08141	0.3
86.78394	0.2
87.00483	2.7
92.18414	0.3
95.04974	0.3
96.01007	0.4
98.51207	0.3
103.05487	3.5
113.96360	0.8
130.06534	100.0
130.15935	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	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.26125	0.2
50.37499	0.2
51.02375	0.2
53.49699	0.2
60.30265	0.2
64.61310	0.2
70.28764	0.2
72.83533	0.2
73.94302	0.2
84.04513	5.4
87.00467	2.0
90.94229	0.2
96.01033	0.3
98.51233	0.3
103.05473	1.5
113.96391	0.4
130.06532	100.0
130.15935	0.6
140.51218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0502
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
51.58299	0.7
56.05027	1.9
60.05634	1.4
63.08102	0.7
70.06588	4.4
71.04987	3.7
76.85018	0.8
83.61430	0.8
84.04510	96.7
84.08148	100.0
85.02908	1.4
102.05544	1.2
110.04905	1.0
121.73399	0.9
130.05002	19.4
130.08650	45.9
130.09717	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	130.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.2
57.07082	0.2
70.06592	0.7
70.94228	0.2
74.09726	0.7
77.03930	0.2
77.99946	0.4
84.04509	6.8
84.08141	0.5
86.50604	0.4
87.00468	6.9
95.04981	0.3
96.01016	1.4
98.51251	1.8
99.66224	0.2
102.04680	0.2
102.05489	0.2
103.05473	1.7
105.75207	0.2
110.33943	0.2
113.96422	2.1
130.06529	100.0
130.15913	2.8
131.97421	0.7
137.69522	0.2
146.05969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0501
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
56.05040	1.8
56.96566	0.2
60.05661	0.2
69.03421	0.2
70.06596	3.4
70.94257	0.3
70.98125	0.1
71.04993	0.5
79.39748	0.1
84.04510	100.0
84.08146	6.0
85.02914	3.6
87.00471	0.1
88.07645	0.1
95.01309	0.3
95.03676	0.1
95.23782	0.1
102.05546	2.7
112.03991	0.2
112.08721	0.5
117.16064	0.1
130.05005	23.5
130.08638	2.7
130.09752	0.7
130.12267	0.1
148.59105	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.8
56.96566	0.2
60.05661	0.2
69.03421	0.2
70.06596	3.4
70.94257	0.3
70.98125	0.1
71.04993	0.5
79.39748	0.1
84.04510	100.0
84.08146	6.0
85.02914	3.6
87.00471	0.1
88.07645	0.1
95.01309	0.3
95.03676	0.1
95.23782	0.1
102.05546	2.7
112.03991	0.2
112.08721	0.5
117.16064	0.1
130.05005	23.5
130.08638	2.7
130.09752	0.7
130.12267	0.1
148.59105	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	129.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
58.06607	9.2
68.99792	2.3
69.03425	0.8
71.34581	0.3
72.08157	7.3
72.70880	0.3
77.58289	0.3
83.05003	1.1
83.06116	1.4
83.38709	0.2
84.08147	22.6
86.09699	0.4
91.79849	0.3
91.80365	0.3
94.74013	0.3
96.74236	0.3
97.02886	0.4
110.44282	0.3
112.11242	100.0
129.02007	0.6
129.05501	0.5
129.06581	0.4
129.10229	0.7
129.13876	69.2
146.99310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86245	0.3
58.06612	10.7
69.03425	0.7
72.08162	6.4
73.06524	0.4
75.44857	0.4
84.08147	21.5
85.71596	0.5
90.86260	0.4
97.02898	2.0
112.11247	100.0
129.05476	0.7
129.13882	64.5
149.24817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1277
Annotation	6-Methyl-5-hepten-2-ol
Peak:m/z	Relative Intensity
55.01880	0.6
55.05522	18.5
57.07077	1.2
63.38465	0.6
67.05511	1.0
67.44214	0.7
68.99783	0.7
69.03430	4.1
69.07077	100.0
72.08150	0.8
73.06538	0.8
83.04971	1.3
83.06104	3.2
83.08624	1.1
86.00705	3.9
94.54968	0.7
97.02900	8.8
99.22051	0.7
101.06046	1.4
111.06395	0.7
111.11721	1.1
111.96801	0.8
112.11250	0.8
128.06235	0.9
128.21159	0.7
129.01839	0.9
129.05466	4.0
129.06992	7.8
129.10236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0709
Annotation	L-Baikiain
Peak:m/z	Relative Intensity
53.76231	0.3
55.01862	0.4
55.05512	2.4
56.05028	2.5
58.06593	0.7
67.04249	0.5
67.05479	0.4
68.05020	1.6
68.93579	0.7
69.03457	0.7
69.07086	0.5
69.64304	0.4
70.06584	0.5
72.04513	1.9
72.08158	3.1
80.05019	0.5
82.06590	34.3
83.04982	0.5
83.08635	0.7
83.53238	0.5
84.04510	43.1
84.08152	0.8
85.08469	0.8
86.06065	3.4
86.09689	0.4
86.94599	0.5
87.04471	2.3
96.84924	0.4
100.07625	27.5
102.74931	0.4
110.06048	23.6
111.04442	1.5
114.05547	2.0
128.04308	3.7
128.07082	100.0
128.10692	4.3
128.14372	5.7
148.04608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.128
Annotation	Tropane
Peak:m/z	Relative Intensity
54.73033	0.3
55.05502	0.5
62.60279	0.3
70.06597	6.5
72.08139	0.5
84.04530	0.5
84.08144	8.2
97.08913	1.9
98.06059	0.9
98.09679	0.9
109.04022	0.8
109.99023	0.4
121.03973	1.8
122.25351	0.4
124.11176	0.4
126.02435	0.4
126.05549	2.3
126.06629	14.0
126.07535	0.6
126.09161	5.0
126.12791	100.0
126.24766	0.4
135.30811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03962	3.6
55.01887	3.8
55.05518	4.8
57.03444	4.3
57.07081	0.3
59.05008	2.1
63.56738	0.2
65.03920	0.4
67.01857	0.3
67.05511	32.4
67.93568	2.0
68.26127	0.2
69.03440	4.3
69.07073	34.3
70.75512	0.2
71.04997	18.5
79.05499	0.6
81.03427	11.8
81.07068	9.3
83.01337	0.4
83.04991	0.3
83.08628	13.9
84.01566	1.2
84.08141	1.3
85.02907	1.4
85.06541	1.8
85.94598	1.3
86.06065	3.4
88.12003	0.3
93.02083	0.6
97.02892	3.2
99.04456	5.0
103.95663	0.4
107.08607	1.0
109.02888	13.5
109.04845	0.3
109.06502	1.1
109.10161	100.0
110.16345	0.2
114.38569	0.2
117.93539	0.3
118.94268	0.3
126.97189	1.0
127.03923	59.3
127.04919	2.4
127.07481	1.7
127.08624	2.2
127.11195	17.8
132.43048	0.3
140.95151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59208	0.8
53.03955	3.4
55.01884	1.2
55.02996	0.9
55.05526	8.6
55.48759	1.0
56.05038	1.5
60.05658	34.4
60.31367	0.8
65.98605	0.9
67.05521	1.8
68.05019	1.1
69.61706	0.9
70.06593	5.0
72.08163	100.0
77.03955	1.7
77.07352	0.7
79.05500	21.6
79.05926	1.7
80.05032	14.1
80.05801	0.8
80.06285	1.2
81.03449	1.4
81.07050	4.8
82.06595	5.3
82.47646	1.2
83.01334	1.1
84.04524	6.4
84.05654	1.3
84.08154	2.0
85.02903	6.3
91.05489	23.9
91.52120	1.3
92.01901	1.2
93.07049	89.9
94.07359	1.1
95.04980	14.6
97.07650	10.2
98.03235	1.4
98.06070	10.6
98.09746	1.1
102.94842	1.7
105.04546	3.9
105.07048	9.6
108.04488	27.1
108.08159	1.2
108.08907	1.8
114.10288	20.0
117.58631	1.0
119.08607	1.7
121.10152	17.9
126.05530	41.8
126.06573	5.6
126.07611	1.0
126.09150	14.3
126.10192	4.4
131.12947	9.7
138.10234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1255.843
Annotation	Unknow
Peak:m/z	Relative Intensity
89.23545	0.1
117.05723	0.1
119.48521	0.1
132.08075	0.1
132.77126	0.1
142.78432	0.1
154.08813	0.1
159.06767	0.2
160.07565	32.1
161.08369	0.7
168.08028	0.1
170.09633	1.0
171.06786	0.1
174.09103	1.3
175.09923	0.3
186.09137	92.1
187.09915	35.7
188.10683	0.3
202.10957	1.2
203.11786	0.5
217.13350	5.1
218.14134	39.9
227.09351	0.1
247.96175	0.1
268.13339	0.1
298.92856	0.1
299.17487	0.2
317.18591	1.0
318.25613	0.1
464.25452	100.0
563.10742	0.1
1177.43848	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	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
52.90998	0.4
55.01873	5.0
55.05522	14.3
57.03439	0.8
59.04999	0.7
60.67205	0.4
67.05494	1.2
69.03440	4.2
69.07076	3.5
79.05502	13.8
81.07054	7.9
83.04991	7.0
83.08616	0.9
91.05497	3.6
93.33295	0.5
95.04948	0.4
95.08612	0.9
97.02879	1.1
97.06530	2.5
97.10168	2.7
98.17423	0.5
99.80387	0.4
105.07035	2.5
107.08599	11.2
109.06488	1.0
110.50085	0.5
125.02376	0.8
125.09637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01891	5.0
55.05524	13.9
57.03445	0.7
65.03942	1.8
67.05492	2.3
69.03423	4.9
69.07054	5.6
76.51561	0.4
79.05067	0.8
79.05499	16.5
81.01499	0.9
81.07063	8.9
81.51675	0.5
82.06581	0.5
83.04986	8.6
83.08627	2.0
84.01189	1.1
84.04500	2.9
84.05630	0.6
91.05482	2.8
93.03393	2.1
97.02897	13.1
97.03966	0.7
97.06544	4.7
97.10184	2.9
102.02229	6.3
105.07052	1.1
107.06073	1.0
107.08593	13.6
109.06533	1.1
111.04443	4.1
113.15192	0.5
120.03259	0.7
125.01548	1.0
125.02361	10.2
125.03396	0.8
125.04272	1.0
125.05995	7.6
125.07116	6.6
125.08154	3.3
125.09631	100.0
136.26678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1247.588
Annotation	Unknow
Peak:m/z	Relative Intensity
107.36138	0.1
108.91407	0.1
110.05997	0.5
111.70741	0.1
122.06008	0.2
136.07504	0.3
140.07085	0.4
154.08656	0.1
164.05807	0.1
164.07042	0.6
164.10805	0.2
181.34039	0.1
182.08054	0.7
217.09677	0.1
227.11722	0.2
241.13261	0.2
243.11259	0.7
245.09111	0.6
261.08707	3.7
261.11758	0.3
271.10797	4.1
273.12286	0.1
284.11575	0.7
285.12289	1.7
287.10309	4.1
287.13422	0.2
301.11575	0.1
305.11578	0.1
322.19162	0.2
324.20752	0.2
336.20703	0.1
348.17065	0.6
350.18839	0.2
364.13052	0.2
364.20206	4.9
365.18481	0.9
378.22043	0.1
379.15152	0.8
380.19687	1.4
382.16577	0.2
382.21283	6.1
383.19901	0.2
390.18341	0.2
391.16479	3.1
393.17020	0.3
394.21188	0.8
398.17194	0.3
402.18103	0.5
406.17862	0.2
407.18506	1.4
408.19186	100.0
409.19601	0.2
412.22388	1.0
416.18192	0.8
420.19122	2.0
424.18704	0.5
426.19901	0.4
438.20233	12.3
440.21506	0.2
442.19373	0.3
452.18054	0.7
485.25787	0.1
503.26828	0.9
528.25098	0.2
535.28619	0.2
545.27649	3.9
546.26166	0.8
557.27386	0.2
562.28046	0.3
563.28662	22.7
575.28802	0.9
589.26788	0.2
593.29736	93.2
607.27588	0.6
611.30682	2.6
637.28455	0.6
1201.21252	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	124.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.8
56.05035	3.6
58.06611	1.2
63.89838	0.5
65.24323	0.6
67.05505	2.3
68.05030	0.9
79.05070	1.1
79.05502	22.8
81.06606	1.1
81.07061	19.4
82.06592	16.2
83.01511	0.7
83.07362	4.0
91.05474	1.0
95.08606	1.0
96.04484	1.1
96.08126	3.5
101.02573	1.2
105.07027	0.7
106.06528	0.7
107.08588	10.3
109.14762	0.5
124.03962	10.3
124.04871	2.1
124.05883	0.8
124.07621	6.5
124.11235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.05526	3.9
56.96574	23.4
57.07088	2.3
58.50549	3.5
58.96175	1.2
59.00708	0.2
59.95432	0.2
61.16916	0.2
65.03945	0.5
67.05511	29.7
67.51072	7.3
68.00913	0.3
68.01214	1.8
68.50879	0.5
69.07076	1.9
70.01337	5.2
70.51511	3.4
76.51592	4.2
77.01762	0.9
79.01863	32.8
79.05500	7.2
79.52048	17.9
80.01672	1.7
80.03534	0.3
80.05038	0.9
81.07062	100.0
82.01453	3.2
85.52082	0.3
86.44524	0.2
88.02377	24.9
88.51663	0.6
88.52566	14.1
89.02176	1.3
90.52641	2.3
91.02800	1.7
95.03167	0.6
95.04979	2.8
95.08616	6.4
97.02897	1.4
97.53053	1.6
99.53148	1.5
100.02487	8.0
100.03219	0.4
110.95441	0.3
118.03520	1.6
123.04408	1.3
123.05552	10.6
123.08125	2.0
123.09193	0.5
123.11702	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69846	1.8
55.72482	1.6
56.51001	1.9
61.43851	1.9
65.25193	1.8
82.01456	17.0
83.01505	69.3
85.06717	1.8
100.02486	21.7
101.00890	37.6
101.02560	100.0
104.74273	1.7
110.31020	2.0
117.23939	2.4
119.01925	59.0
119.03621	18.6
125.89081	1.9
137.02975	8.6
139.76122	1.9
142.03493	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	123.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.3
54.13089	0.6
55.01878	1.0
55.05499	0.8
56.05051	1.0
56.96572	10.2
62.67730	0.5
65.03938	1.3
65.74595	0.6
67.05512	9.7
67.51076	4.3
69.12238	0.5
70.01345	3.2
70.06595	50.4
70.51514	1.5
71.07377	9.1
71.71490	0.5
74.30984	0.7
75.60092	0.6
76.51581	1.0
77.03923	1.4
79.01858	14.3
79.05500	8.0
79.51672	0.6
79.52036	9.3
80.01641	0.7
80.05010	7.5
81.03432	0.8
81.07059	6.6
82.01448	18.6
82.06565	5.7
83.07368	8.1
84.08162	0.9
88.02369	8.2
88.51617	0.9
88.52593	4.8
91.05469	0.8
94.04197	1.1
94.06571	2.5
95.01360	1.1
95.04970	86.1
95.08601	6.2
96.04499	4.0
96.08131	10.9
96.55420	0.6
97.08910	8.1
100.02486	57.3
101.07352	1.1
101.57785	0.8
105.03397	2.5
105.04516	6.0
105.07003	0.7
106.06561	3.5
106.56942	2.4
107.07346	10.7
107.57536	0.8
108.08145	1.1
109.08942	0.7
113.07339	2.7
114.08099	9.3
115.07091	4.7
115.57461	100.0
116.07701	2.1
118.03513	12.6
118.06574	3.4
120.08056	0.8
121.08886	0.8
123.03489	0.9
123.04448	69.3
123.05564	56.6
123.08643	72.4
123.11674	1.3
123.58798	2.4
124.03958	1.0
131.07289	0.8
132.08102	7.1
133.08907	1.3
134.06027	11.1
135.06770	0.8
138.77205	0.6
143.07349	3.6
144.08121	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	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
62.22153	0.2
66.93020	0.1
78.03440	0.3
79.04238	0.2
79.64352	0.1
80.05026	10.7
80.98557	0.1
82.01474	1.1
88.07864	0.1
94.88662	0.1
95.04958	0.2
95.78753	0.1
96.04498	2.8
97.24062	0.1
100.02479	1.6
106.02902	0.9
118.03542	0.2
123.05554	100.0
124.03960	0.7
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	Unknow
Peak:m/z	Relative Intensity
52.16428	0.1
53.03957	0.4
62.79842	0.1
68.78638	0.1
70.06590	0.5
77.03963	0.1
78.03463	0.7
80.05026	10.7
82.01453	2.1
95.04977	0.8
96.04496	2.6
100.02495	3.5
106.02917	1.0
115.57462	0.9
118.03517	0.5
123.05559	100.0
124.03952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Benzoate
Peak:m/z	Relative Intensity
50.01620	0.2
51.02388	0.3
53.03962	1.5
54.60388	0.1
55.01870	0.2
55.05519	0.3
56.96581	0.3
58.99871	0.2
65.03947	0.2
65.36462	0.2
67.05517	2.1
70.01345	0.2
70.06596	0.3
70.09652	0.1
71.94508	0.2
76.51608	0.2
77.03937	2.9
79.01868	1.0
79.05503	100.0
79.52028	0.3
80.05024	1.1
81.03429	0.2
81.07069	3.3
82.01457	4.9
88.02385	1.4
88.52590	0.4
90.13400	0.2
93.07044	0.3
95.04975	31.5
95.08617	1.9
96.04479	0.2
96.35035	0.2
100.02489	10.5
102.90059	0.2
104.05287	0.1
105.03404	17.9
105.04474	3.8
105.07016	0.2
109.08092	0.2
115.57497	1.0
118.03517	2.9
123.04456	31.2
123.05589	9.0
123.07963	2.2
123.10019	0.2
123.10957	0.2
123.11647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.63658	0.6
51.78194	0.7
55.34920	0.6
56.96577	67.8
58.50561	7.3
60.45136	0.7
61.00831	1.0
61.50975	0.9
65.71468	0.7
67.05515	10.8
67.51075	22.3
67.78043	0.6
68.01234	4.1
70.01337	21.3
70.51506	3.9
71.84814	0.7
74.97606	1.0
76.51601	10.5
77.01763	3.2
77.03941	1.1
79.01866	100.0
79.05507	1.2
79.52051	48.2
80.05024	8.1
81.07063	20.2
81.07783	0.8
82.01461	10.5
86.02648	1.3
88.02381	55.4
88.51683	0.9
88.52048	1.0
88.52583	26.9
89.30836	0.8
90.52656	2.8
91.02828	3.8
93.07039	0.7
95.04969	21.4
95.08611	6.3
96.04504	2.9
97.02909	1.4
97.53069	0.7
99.53149	1.6
100.02488	38.0
105.07059	0.8
106.07388	2.9
118.03528	11.0
123.04442	39.2
123.05556	77.4
123.08072	21.2
123.09141	2.7
123.11691	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	123.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53521	0.2
51.02399	0.9
53.03960	2.2
55.64867	0.3
56.96572	1.0
62.89796	0.2
64.93230	0.3
67.05529	2.0
77.03938	2.0
79.01865	1.3
79.05502	100.0
79.52050	0.3
80.05042	0.4
81.03423	0.3
81.07068	1.6
82.01455	2.3
82.90808	0.2
88.02377	0.4
95.04974	11.7
95.05560	0.5
95.08619	1.6
100.02499	6.4
105.03403	17.9
105.04459	2.8
112.96394	0.3
118.03535	1.1
123.04455	22.5
123.05558	5.6
123.08068	2.5
127.85736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
53.03963	2.9
55.01862	0.4
55.79972	0.3
56.96579	10.1
58.50532	0.3
59.15488	0.3
59.90578	0.4
66.20137	0.3
67.05519	3.0
67.51066	2.7
70.01325	1.6
70.51507	0.8
76.51585	1.9
77.03932	2.1
79.01865	14.4
79.05515	1.4
79.52050	6.4
80.05016	2.3
81.07083	4.0
82.01457	7.5
88.02383	11.7
88.52586	4.6
95.04974	100.0
95.08614	1.8
100.02494	18.0
105.04519	4.4
105.07032	0.5
106.07369	6.2
118.03538	4.1
121.02857	0.7
121.59257	0.3
123.04446	57.5
123.05555	21.5
123.07979	3.0
123.09270	0.5
123.11752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01615	0.2
51.02394	0.3
53.03957	2.1
56.96570	1.7
58.50555	0.3
63.81260	0.1
64.40482	0.1
65.10366	0.1
67.05508	1.1
67.33698	0.1
67.51050	0.2
70.01328	0.2
70.06593	0.2
70.51512	0.2
73.16898	0.1
76.51586	0.3
77.03938	4.2
79.01860	2.7
79.52045	1.5
80.05025	0.2
81.07082	0.4
82.01455	0.7
88.01889	0.2
88.02366	1.1
88.52550	0.7
95.04974	100.0
95.08622	0.3
100.02497	2.0
105.03384	0.6
105.04527	4.9
113.65732	0.2
115.57469	0.9
118.03535	0.2
121.02905	0.4
123.04434	60.2
123.05476	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	123.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.3
52.45403	0.1
53.03957	2.0
53.99195	0.1
55.01892	0.3
55.05545	0.1
56.89900	0.1
56.96570	1.0
58.99611	0.3
58.99887	0.7
59.99586	0.1
59.99934	0.7
65.03962	0.2
66.93150	0.1
67.05518	2.6
67.51077	0.2
70.01344	0.3
70.06597	1.9
70.51516	0.2
71.07383	0.3
76.02236	0.5
76.51631	0.2
77.00923	0.2
77.02181	0.3
77.02584	0.6
77.03931	1.5
79.01865	1.9
79.05499	0.7
79.52063	1.0
80.05023	5.2
81.03414	0.5
81.07069	4.8
82.01453	12.5
82.06599	0.2
83.07394	0.2
87.99396	0.5
88.02388	0.8
88.48129	0.1
88.51590	0.3
88.52563	0.6
88.82665	0.1
94.06582	0.1
95.04974	100.0
95.08607	1.1
96.04506	1.7
96.08134	0.3
97.08898	0.3
100.02489	47.0
102.02951	0.2
105.03396	0.3
105.04523	4.7
106.00415	0.2
106.02905	0.3
106.07312	0.2
107.07346	0.9
114.04006	0.3
114.08091	0.2
115.57466	4.5
118.03526	13.9
123.04420	44.7
123.05538	44.5
123.08586	2.6
123.09303	0.5
123.11697	1.9
124.03930	0.8
132.05028	0.2
134.05948	0.3
141.05142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.15654	0.4
53.03952	2.3
56.96565	1.5
57.16087	0.3
57.96637	0.4
58.99860	0.6
66.31976	0.4
67.05515	2.7
67.51086	0.4
77.03958	2.7
79.01871	3.2
79.05483	1.4
80.05038	2.7
81.07062	2.2
82.01457	13.2
85.21327	0.3
88.02381	1.9
88.52500	0.3
95.04974	100.0
95.08666	0.4
96.04463	0.5
100.02492	32.6
105.04518	3.0
106.06521	0.5
115.57458	0.5
118.03524	8.2
123.04444	48.1
123.05553	19.3
123.06358	1.1
123.08078	1.6
123.09151	3.6
123.09993	1.0
131.85748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
52.18186	0.4
53.03954	1.0
56.47024	0.4
56.96566	3.0
58.40173	0.5
62.77085	0.5
67.05505	2.0
67.51078	0.7
70.06597	6.2
70.83360	0.4
71.07366	0.4
76.51588	0.6
76.85628	0.4
77.03931	2.8
79.01870	5.1
79.05500	4.7
79.52035	2.0
80.05016	2.2
81.07068	1.1
82.01452	11.8
82.06586	0.8
83.07362	1.7
88.02388	2.8
88.52550	2.2
95.04972	100.0
96.04442	0.6
96.08147	1.0
97.08901	0.9
100.02491	23.4
105.03423	0.7
105.04539	3.3
106.06599	0.6
114.08096	0.9
115.57468	16.7
118.03500	4.8
118.06564	0.5
123.04440	46.2
123.05555	17.1
123.07892	0.7
123.08633	10.9
132.08073	0.8
134.06059	0.7
144.08099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80348	0.3
56.96584	0.3
58.99870	0.7
74.39445	0.3
78.10524	0.4
82.01456	70.4
88.02357	0.3
88.51630	0.4
89.46896	0.3
95.42316	0.3
100.02491	100.0
102.03004	0.5
113.22421	0.3
118.03524	17.0
123.04044	0.5
140.97621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99865	1.8
61.50001	0.5
68.74140	0.4
77.03897	0.6
79.01875	0.5
82.01459	63.2
84.16528	0.5
88.02380	0.9
91.07990	0.5
95.04985	15.2
100.02495	100.0
102.26312	0.5
118.03531	20.0
118.04319	0.9
123.04439	7.6
123.05566	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	1221.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
92.18477	2.2
122.06078	4.1
136.07529	3.4
137.06863	1.6
138.09140	8.7
164.07056	32.9
165.00293	1.7
174.09117	4.0
177.06567	2.3
181.09735	11.5
191.08159	7.4
192.10208	2.9
203.08156	2.8
217.09702	2.6
217.75142	2.0
228.28481	1.9
229.06091	3.7
230.08171	2.7
245.09154	13.7
246.07797	2.9
248.09108	4.3
257.09091	2.0
259.10770	3.9
261.08728	49.5
263.10281	32.9
271.07278	6.8
275.14023	2.4
279.13272	2.1
285.08771	2.2
287.10275	33.3
288.08832	2.2
289.08282	4.0
301.11804	54.0
305.07999	3.7
305.11304	37.8
307.12875	9.1
312.14780	2.0
313.08121	17.6
315.09763	8.2
366.18219	3.5
406.17520	11.0
408.19260	3.3
420.19055	4.3
424.18686	9.9
426.20544	12.4
434.17105	22.3
438.20291	11.0
452.18182	50.9
453.41492	2.0
470.19144	7.7
525.25165	3.2
585.24542	2.1
589.26660	50.8
607.27625	76.3
619.27600	43.3
637.28693	100.0
1020.78650	2.1
1119.22485	2.3
1244.79468	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01585	0.2
51.02393	0.5
53.03954	2.3
55.05524	9.0
60.09396	0.3
62.18597	0.2
65.03952	32.4
66.82673	0.2
67.05519	1.4
75.22974	0.2
75.32974	0.2
75.68779	0.2
77.03945	2.1
79.01865	1.2
79.05501	26.5
80.06268	1.0
81.07085	2.2
85.16982	0.2
91.05486	25.1
93.03410	2.8
93.07048	100.0
95.04969	13.9
103.05477	12.8
105.04523	4.0
105.07035	20.1
106.07816	1.8
111.04450	3.2
119.08564	4.2
121.02189	0.2
121.02873	17.3
121.03983	4.9
121.06512	24.7
121.08382	1.2
121.10146	42.2
123.08044	3.1
123.45756	0.3
123.82923	0.2
133.07584	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	121.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03954	1.3
55.05526	6.4
60.18823	0.3
65.03946	0.4
67.00481	0.3
67.05519	1.3
72.08165	2.7
77.03941	2.1
78.06905	11.4
79.05505	24.1
80.06253	0.4
81.07069	2.2
84.05639	4.0
87.04475	1.8
91.05490	24.9
92.17830	0.7
93.07053	100.0
95.04982	9.7
97.91698	0.3
99.58566	0.3
103.05481	4.4
104.05788	0.4
105.04546	3.9
105.07043	20.4
106.07803	1.5
111.07859	0.3
113.77301	0.3
119.08569	3.3
121.02854	0.7
121.03997	1.4
121.06525	9.9
121.07613	1.3
121.08427	3.4
121.10152	37.3
123.08059	3.3
133.07626	0.8
138.10268	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02387	0.4
53.03957	2.1
55.05523	5.8
56.83961	0.2
59.55097	0.2
64.27200	0.2
67.05508	1.0
68.99387	0.2
77.03933	2.9
78.04688	0.3
79.05502	20.2
80.06280	1.0
81.07052	2.6
83.24355	0.2
91.05484	22.7
93.07050	100.0
95.04974	9.8
103.05489	2.6
104.11329	0.2
105.04517	3.2
105.07041	19.8
106.07823	1.5
119.08564	3.6
121.06540	0.8
121.10149	33.5
123.08066	2.2
128.03235	0.3
133.07617	1.3
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	Unknow
Peak:m/z	Relative Intensity
50.75335	0.1
51.02391	0.2
53.03962	1.4
53.23097	0.1
53.50058	0.1
53.78818	0.1
55.05524	4.9
61.50716	0.1
65.03930	0.2
67.05514	0.8
77.03933	2.1
78.04710	0.2
79.05500	20.9
80.06293	0.6
81.07063	2.2
83.74909	0.2
88.00555	0.1
90.35598	0.2
91.05485	20.8
92.06290	0.2
93.07048	100.0
95.04969	8.5
103.05465	2.6
105.04522	3.2
105.07037	18.1
106.07818	2.1
119.08569	3.1
121.02876	0.7
121.04038	0.3
121.06519	2.4
121.10144	35.1
123.08071	2.8
123.78337	0.2
133.07573	1.4
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
51.08038	0.3
53.03958	2.0
53.66336	0.3
55.05522	9.0
56.84314	0.4
58.38877	0.4
58.54401	0.4
65.03952	43.7
66.97655	0.4
67.05511	2.6
69.07077	0.6
72.08159	0.4
77.03938	1.8
77.73807	0.4
79.05500	28.7
80.06290	0.6
81.07071	1.8
84.85333	0.4
87.58154	0.4
91.05486	23.7
91.07157	0.3
93.03387	3.3
93.07050	100.0
95.04978	11.4
103.05481	9.8
104.04967	0.4
105.04524	3.8
105.07041	15.0
106.07843	0.7
111.04441	2.5
119.08572	3.0
120.77063	0.5
121.02880	20.2
121.03986	7.2
121.06510	25.1
121.07580	1.3
121.08401	0.8
121.10144	37.0
123.08084	3.7
133.07622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02396	0.1
52.05280	0.1
53.03952	0.7
55.01892	0.2
56.43980	0.1
56.96563	0.1
59.75153	0.1
65.03949	1.5
65.61057	0.1
75.20403	0.1
77.03947	1.1
78.04716	2.6
79.05497	0.2
91.05489	6.6
91.06054	0.3
93.04517	0.2
93.07043	1.9
94.07371	0.1
95.04979	4.8
103.05478	0.8
104.05833	0.5
105.04517	1.4
105.07029	0.2
106.04176	1.2
111.04436	0.2
121.02905	0.9
121.06512	100.0
126.26913	0.1
133.73332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0652
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02383	0.5
53.03950	3.3
55.01885	0.5
55.05524	4.3
60.42588	0.4
65.03636	0.7
65.03951	9.0
67.05511	0.9
68.35291	0.4
77.03938	4.2
79.05061	0.8
79.05500	15.3
81.07079	0.8
88.23492	0.4
91.05486	35.3
93.03445	0.6
93.07048	79.5
95.04972	17.8
103.05475	32.5
105.04511	5.7
105.07030	9.3
117.43429	0.5
119.08582	0.9
121.02926	3.7
121.03991	2.7
121.06506	100.0
121.10143	16.7
123.08095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77375	0.2
51.18716	0.2
57.26007	0.2
57.50735	0.2
58.48651	0.3
59.88389	0.2
65.03951	15.9
91.05448	0.4
92.32723	0.3
93.03407	7.9
93.07047	1.3
111.04436	5.0
121.02871	100.0
121.03954	10.7
121.08428	0.6
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	p-Tolualdehyde
Peak:m/z	Relative Intensity
50.01600	0.2
51.02399	0.4
51.97343	0.1
53.03957	1.7
55.01883	0.7
57.50419	0.1
65.03960	0.4
66.66959	0.1
77.03936	4.0
79.05485	0.2
83.50663	0.2
84.85385	0.2
91.05029	0.3
91.05482	21.7
93.07047	36.2
95.04971	11.3
102.04688	0.2
103.05474	29.0
105.04518	3.4
121.06505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62619	0.2
51.04817	0.2
51.92985	0.2
63.28617	0.3
65.03951	16.5
70.03342	0.2
76.38316	0.2
79.05484	0.4
91.05521	0.4
92.17793	0.4
93.03408	8.4
93.06544	0.3
93.07036	2.0
103.05471	1.0
105.07036	0.6
111.04452	5.1
121.02872	100.0
121.03952	11.9
121.06516	3.1
121.08450	1.2
121.10158	2.1
134.59190	0.3
135.40842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1201.6262
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09714	6.1
91.05474	2.0
100.11291	0.3
103.05476	1.4
105.07043	0.7
106.06570	0.4
117.10635	0.3
118.06580	0.5
119.07327	2.6
120.08099	0.7
121.43802	0.4
124.76077	0.4
130.06494	0.5
131.04929	6.3
134.05997	0.6
135.06731	0.5
136.07542	2.7
145.05272	2.8
146.05998	1.9
148.07579	1.3
148.11247	0.8
179.08562	4.2
181.06506	0.8
181.10045	0.6
188.14401	0.7
195.08038	0.3
196.11230	0.5
200.05779	0.3
207.08063	3.9
207.14958	1.3
220.11209	0.5
222.12849	0.4
224.10689	16.9
229.13525	0.6
236.10689	3.6
238.12358	0.4
246.09140	1.3
248.10765	1.6
249.11531	2.5
250.12369	1.5
262.08658	0.7
273.15991	0.6
276.10086	1.4
308.18994	0.6
309.19641	8.0
338.15308	0.5
355.17813	0.5
383.17526	1.7
392.19644	0.5
411.17065	0.4
442.25168	0.5
450.43359	0.3
489.91550	0.3
520.54187	0.4
555.33551	3.3
583.32806	100.0
644.87695	0.4
969.59326	0.3
1116.85974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	3.4
60.04521	0.3
60.95864	0.3
61.39951	0.4
65.48730	0.3
74.06081	5.5
78.93123	0.4
79.01833	0.4
88.00504	0.6
91.05482	2.1
92.05011	1.2
92.05801	1.4
93.07044	7.3
95.04975	1.5
102.02237	0.6
102.05563	1.3
103.05475	23.5
104.30300	0.3
104.79778	0.3
109.01775	0.4
120.04469	2.0
120.05516	1.9
120.08105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18509	0.2
52.11766	0.2
58.09340	0.2
64.05923	0.3
74.06075	0.4
76.90575	0.2
91.05481	2.0
93.07046	8.1
95.04956	0.6
95.85429	0.2
103.05475	25.7
105.04549	0.4
117.50005	0.2
118.06566	0.5
120.08105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13015	0.2
53.69561	0.2
54.59513	0.2
56.05038	0.6
60.04523	0.2
60.91706	0.2
60.95856	0.4
74.06075	1.3
80.04988	0.2
88.00485	0.3
88.02367	0.2
91.05479	2.6
92.05042	0.3
92.05785	0.5
93.07048	8.1
95.04940	1.7
95.81159	0.2
97.00957	0.3
102.02247	0.3
103.05473	22.8
118.06563	0.4
120.04470	1.3
120.05607	1.8
120.08105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59763	0.3
51.26363	0.3
56.05037	0.6
60.04540	0.4
65.03937	0.4
74.06075	2.1
86.21568	0.3
88.02355	0.4
90.05643	0.4
91.05491	1.9
92.04999	1.4
92.05799	1.5
93.07060	5.4
95.04967	0.7
99.05776	0.5
102.02229	0.5
102.05528	0.7
103.05473	21.7
105.05824	0.5
112.56974	0.6
118.06567	0.6
119.07290	0.5
120.04474	1.6
120.05594	9.2
120.08104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0448
Annotation	Anthranil
Peak:m/z	Relative Intensity
50.37416	0.2
52.15654	0.2
56.05030	1.9
56.96571	0.3
58.60999	0.3
59.73875	0.3
60.04515	0.4
60.95847	1.7
60.96130	0.3
63.59726	0.3
65.03949	7.4
68.05021	1.7
72.04494	0.3
74.06081	3.5
79.01858	1.9
84.01201	0.5
84.04510	0.3
88.00476	1.8
88.02356	1.2
91.05472	1.7
92.05004	27.0
92.05827	2.1
93.07040	4.7
95.04951	0.5
96.04489	0.4
97.00966	1.6
102.02221	1.8
102.05524	0.7
103.05474	14.8
110.06055	6.7
120.04467	100.0
120.05477	4.1
120.08101	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	0.5
57.03437	0.0
58.50561	0.1
58.99881	0.3
59.99968	0.1
60.04535	0.1
60.95550	0.1
60.95864	2.7
60.99628	7.0
67.00941	0.1
67.51080	0.2
69.12869	0.1
70.01366	0.1
72.52990	0.2
76.01116	0.0
76.51573	0.4
77.00951	0.1
77.52177	0.1
78.00982	0.1
78.52968	0.1
78.95310	0.1
79.00671	3.7
79.01859	0.7
79.03061	0.1
80.52699	0.1
80.86974	0.0
82.01461	1.5
83.01554	0.1
83.03524	0.1
84.01208	34.5
85.52096	0.1
85.53726	0.2
86.52702	0.8
87.53465	0.1
88.01881	0.1
88.02342	0.6
88.03551	0.2
95.53223	0.2
97.01724	0.7
97.02291	0.1
99.99957	0.1
100.02493	4.7
100.80998	0.1
101.02581	0.1
102.02248	100.0
103.05428	0.1
104.02641	0.4
104.66465	0.1
109.00456	0.1
115.84144	0.1
116.03809	0.6
118.03516	1.4
119.01891	0.1
120.02015	3.7
120.03274	26.1
120.08067	0.4
125.03819	1.5
131.01915	0.1
134.04857	0.1
134.35078	0.1
134.94441	0.0
138.03087	0.7
138.04196	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
59.84076	0.5
60.12000	0.6
65.03944	0.9
73.08495	1.0
79.05508	1.3
84.51348	0.6
88.59430	0.5
91.05484	48.7
92.11060	0.5
93.07027	0.9
95.04978	0.9
96.05274	0.8
99.22675	0.5
103.05465	3.1
104.06252	2.4
109.06552	0.7
113.96400	1.2
117.07018	19.8
119.04960	4.4
119.06075	3.8
119.06855	4.7
119.08581	100.0
132.71477	0.6
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
53.03957	0.6
53.71857	0.6
59.36270	0.6
59.53030	0.6
65.03939	0.6
73.08486	1.0
73.66546	0.7
74.38903	0.7
79.05495	1.6
89.19447	0.7
89.72582	0.6
91.05485	35.6
92.45779	0.7
93.07031	1.1
95.04975	1.1
103.05494	3.0
104.06247	3.0
117.07011	7.3
119.04957	3.8
119.06059	4.8
119.06806	2.6
119.08582	100.0
121.28576	0.6
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
51.70240	0.3
53.03946	0.6
65.03941	2.4
78.04698	0.5
79.05505	6.9
83.08617	0.4
91.05487	100.0
92.05417	0.4
93.07061	3.7
95.04977	2.8
95.58458	0.3
99.35053	0.3
101.02557	0.4
103.05480	7.4
104.06248	7.8
105.04516	0.8
109.06519	0.8
115.05466	3.9
117.07027	24.9
119.04932	4.1
119.06087	1.6
119.08587	91.8
121.06546	0.4
123.62450	0.4
131.06073	0.5
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
53.03959	0.9
55.05510	2.9
58.71728	0.5
62.60483	0.5
65.03945	1.6
65.15588	0.6
73.08485	0.7
73.59697	0.6
79.05505	7.3
91.05485	99.5
93.07058	3.9
95.04990	2.6
96.05297	0.6
96.71432	0.7
101.02564	3.1
103.05471	8.0
104.06254	7.6
105.04572	1.0
109.06527	0.7
115.05437	3.9
117.07016	28.1
119.04993	1.5
119.06097	2.4
119.08584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41644	0.3
55.05522	2.0
58.34871	0.3
65.03946	1.8
68.92603	0.3
72.08154	0.5
78.04726	0.4
79.05492	7.3
83.04955	0.3
91.05482	100.0
93.07052	4.1
95.04979	2.6
96.05308	0.5
101.02579	0.4
101.06030	0.8
103.05479	7.5
104.06251	5.9
105.04514	0.8
108.05273	0.3
109.06523	0.7
115.05435	4.0
117.07015	27.8
119.03555	0.8
119.04961	1.6
119.06081	1.4
119.08579	92.3
119.63065	0.3
121.06529	0.4
134.60678	0.3
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
50.07215	0.3
53.03964	0.4
55.05511	1.6
55.68643	0.3
56.90381	0.3
58.68607	0.3
65.03956	1.6
73.08514	0.4
73.21662	0.3
78.04700	0.5
79.05505	7.0
83.96468	0.3
91.05487	100.0
93.07067	4.4
95.04983	3.2
100.41098	0.4
101.02546	1.4
101.06024	0.6
103.05479	8.8
104.06252	6.8
105.04517	1.3
109.06529	1.4
110.47630	0.3
115.05473	3.8
117.07026	26.7
118.06617	0.3
119.04945	1.3
119.06081	2.2
119.08585	95.2
121.06477	0.4
124.30775	0.3
127.96690	0.3
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
56.82944	0.4
59.06116	3.5
60.39251	0.4
61.98698	1.3
65.03947	0.6
72.08151	0.6
73.08492	0.9
76.02279	0.6
79.05495	0.7
80.02735	0.5
90.01789	0.9
90.56840	0.5
91.02122	0.9
91.05486	33.2
93.07037	1.1
95.04969	0.6
96.04506	0.7
103.05473	3.3
104.06269	3.2
113.96414	1.0
115.05486	0.6
117.07022	7.7
119.04961	1.1
119.06059	3.2
119.06858	4.0
119.08585	100.0
131.83751	0.5
136.96489	0.5
138.69919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
60.48611	0.3
61.19162	0.3
65.03965	0.4
66.56239	0.3
74.08376	0.3
75.96747	0.4
79.05485	1.8
89.70345	0.3
91.05480	21.0
91.06051	0.8
92.78713	0.3
93.07047	0.7
95.05004	0.4
103.05470	2.9
104.06252	2.2
109.06488	0.5
116.75729	0.4
117.07011	6.0
119.08575	100.0
127.88033	0.3
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
51.44044	0.4
51.63713	0.4
53.19630	0.4
59.78929	0.4
64.31390	0.5
72.32011	0.4
73.76076	0.4
74.70877	0.4
79.05507	2.7
81.45150	0.4
86.00245	0.4
91.05487	38.2
93.07038	2.1
95.04937	0.6
103.05491	3.2
104.06276	3.1
107.22593	0.4
113.96418	0.5
115.05434	0.8
117.07025	19.5
119.08586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03958	0.3
65.03950	0.5
73.08485	0.6
79.05489	2.0
80.29665	0.3
82.16723	0.2
84.65876	0.3
91.05486	31.2
93.07044	1.3
95.04977	1.6
96.05273	0.5
103.05466	3.4
104.06242	2.2
105.04507	0.4
108.88227	0.2
110.63660	0.3
115.05451	0.6
117.07031	10.5
119.04959	2.8
119.08585	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
55.07183	0.6
79.05495	2.6
91.05492	37.9
93.07053	2.4
95.04967	0.8
96.05293	0.7
99.77742	0.6
103.05486	3.2
104.06255	2.9
115.05457	1.1
117.07024	17.9
119.06860	2.9
119.08588	100.0
126.78745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.51038	0.4
55.05520	0.7
61.08061	0.4
65.03955	9.5
67.01730	0.4
69.25056	0.3
70.66851	0.3
83.08637	0.7
91.05488	100.0
119.04950	97.4
119.05931	1.0
119.06184	0.7
119.06864	4.2
119.08565	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	119.086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03078	0.2
56.33819	0.2
65.03954	0.5
67.40678	0.2
72.08128	0.4
73.08483	2.4
78.38374	0.3
79.05501	2.7
91.05484	41.9
93.07050	2.4
95.04960	0.6
103.05470	3.2
104.06236	2.6
109.06503	0.5
113.96393	0.6
115.05439	1.1
117.07021	18.5
119.05019	3.7
119.06100	1.8
119.06832	3.1
119.08584	100.0
121.06458	0.5
128.60652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	7.9
68.40484	0.4
69.69437	0.5
73.07517	0.5
75.55365	0.5
77.12561	0.5
80.90674	0.5
87.97998	0.5
91.05482	100.0
101.53874	0.5
119.04941	87.3
119.06828	3.2
119.08597	6.4
126.74957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
56.41431	0.5
65.03945	7.9
65.41035	0.5
70.81512	0.4
73.08489	0.7
91.05478	100.0
91.26891	0.4
117.07003	0.6
119.04936	98.7
119.08570	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	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.75177	0.5
50.76588	0.6
52.78607	0.5
59.05008	0.7
60.05341	0.7
64.92220	0.5
65.03949	6.9
65.73389	0.5
68.95287	0.6
70.87788	0.5
73.02906	1.0
73.08486	4.8
83.01523	3.7
91.05486	100.0
98.76785	0.6
101.00887	6.4
101.02568	13.3
102.06342	2.5
103.96624	0.5
117.82975	0.5
118.96815	0.6
119.01938	16.7
119.03706	4.7
119.04944	58.7
119.08953	3.6
137.02930	4.0
139.64919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84761	0.4
55.05516	3.0
55.68613	0.4
57.91088	0.4
62.38173	0.4
65.03952	7.7
72.26912	0.4
77.80981	0.4
83.08629	0.7
91.05481	100.0
101.02550	1.1
119.04943	87.4
119.06782	7.8
119.08548	4.2
120.91658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1186.7307
Annotation	Unknow
Peak:m/z	Relative Intensity
83.08622	7.5
85.02927	7.5
85.10175	18.7
91.03967	6.7
95.08627	24.0
97.10152	4.5
109.10174	16.6
127.03877	5.2
163.05951	3.4
182.82823	3.3
239.23717	5.9
240.44746	3.1
257.20422	3.0
257.24796	5.2
313.27408	68.7
331.28442	100.0
333.56802	3.8
353.26804	6.8
432.93866	3.4
475.32523	12.2
493.33344	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	119.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30733	0.2
58.99833	1.3
59.00101	0.3
59.99952	7.2
66.53757	0.2
69.89956	0.2
72.51401	0.2
73.94412	0.2
78.00997	2.9
82.01422	1.0
83.01507	47.3
100.02498	2.0
101.00899	8.9
101.02567	100.0
115.04184	0.4
119.01046	0.4
119.01929	21.6
119.03614	24.4
123.17470	0.2
124.04177	1.1
137.02997	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	1186.5695
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02915	71.5
91.03930	2.6
97.02900	89.1
104.34261	2.5
105.92500	2.3
108.55047	2.7
109.02868	5.5
111.11721	12.7
115.03934	45.2
127.03913	38.5
133.04948	9.4
144.11697	2.0
145.04953	34.9
149.04886	2.3
163.06052	5.2
200.88654	2.2
241.07101	9.9
243.15950	4.6
259.08170	14.8
273.17041	2.9
295.10254	100.0
310.52466	2.6
325.11237	22.6
423.22400	9.8
457.15512	14.4
602.30145	12.9
749.83258	2.7
843.33521	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	118.0867
Annotation	Betaine
Peak:m/z	Relative Intensity
51.43750	0.3
59.90035	0.4
60.79730	0.3
62.02174	0.8
62.02463	10.5
66.08405	0.4
72.04526	45.6
72.08158	5.8
74.09728	16.1
76.93404	0.5
77.03953	0.7
86.29928	0.4
90.05564	79.9
95.04971	3.5
100.07629	32.6
102.05570	0.8
105.04533	0.5
118.06530	8.9
118.08663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	(S)-2-(Dimethylamino)propanoic acid
Peak:m/z	Relative Intensity
52.37660	0.1
53.03947	0.1
53.72054	0.1
55.05523	9.5
56.05066	0.2
56.36424	0.1
56.96564	0.5
57.05818	0.3
58.06610	2.2
58.99872	3.6
59.05011	0.2
59.07389	2.7
72.08161	100.0
76.93383	0.2
77.00908	1.3
79.01852	0.9
82.01453	26.6
88.02379	0.3
100.02489	51.0
100.07636	0.2
101.06042	0.2
101.21203	0.1
102.02891	0.2
114.03992	0.1
118.02660	0.3
118.03523	11.4
118.08659	39.9
118.12317	0.8
123.04063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42534	0.1
56.05050	2.7
59.33192	0.1
61.98704	0.3
62.00687	2.2
64.09715	0.1
72.08166	2.4
74.09724	4.6
76.93389	0.3
77.03936	0.2
78.19977	0.2
78.50020	0.2
86.56275	0.1
90.01781	0.3
90.03787	17.7
91.05530	0.2
92.18440	0.3
95.04970	2.1
105.04501	0.4
116.05328	0.7
118.06889	100.0
123.09514	0.2
129.20639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0867
Annotation	L-Valine
Peak:m/z	Relative Intensity
55.05523	10.0
55.52190	0.2
56.05051	0.5
57.05838	0.3
58.06609	7.5
59.05007	0.5
59.07392	7.7
63.69371	0.3
72.08163	99.5
76.21957	0.3
82.01454	5.2
91.41022	0.3
92.18427	0.5
100.02493	8.2
100.07669	0.4
101.06026	1.3
118.03553	0.8
118.08661	100.0
118.12312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	8.2
55.05513	1.8
56.05016	1.1
72.08160	38.3
76.93362	3.5
77.03922	7.3
82.01431	2.1
90.03762	1.0
91.05437	1.5
95.04970	38.6
100.02496	8.0
100.07605	1.4
105.04535	12.9
118.03516	1.7
118.06529	100.0
118.08643	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	118.0656
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
52.91524	0.4
53.03971	0.4
55.05504	0.7
55.62199	0.3
56.05041	0.6
56.55368	0.4
62.00665	0.8
63.28918	0.4
68.89668	0.4
70.74969	0.4
72.08170	10.5
74.09713	0.6
76.93377	1.7
77.03877	0.4
82.01431	2.2
85.35426	0.4
90.03790	5.1
91.05033	0.5
91.05488	7.8
95.04939	2.3
100.02486	6.8
105.04501	0.5
117.05729	0.6
118.06534	100.0
118.08555	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	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.05294	0.3
55.05522	6.1
56.05042	0.8
56.96566	0.6
57.07077	0.5
58.02969	0.7
58.06598	4.6
58.99865	5.9
59.04966	0.4
59.07391	4.3
59.93127	0.6
69.03430	0.4
70.03770	0.5
72.04507	1.6
72.08160	63.5
74.06069	0.4
76.07637	0.7
76.93373	8.6
77.00899	3.0
77.03932	1.5
79.01866	0.6
82.01457	25.6
83.08638	0.6
83.52380	0.4
87.04456	0.6
90.03773	0.4
90.04264	0.4
91.05521	0.4
94.94414	3.6
95.01913	0.4
95.04975	15.8
99.97960	0.4
100.02493	100.0
100.07631	2.7
100.11240	1.5
101.06049	1.5
105.04528	5.9
117.95999	2.0
118.03527	27.6
118.06546	41.8
118.08659	52.3
118.12286	3.7
121.58758	0.4
123.04074	1.9
135.96985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90647	1.1
53.03941	7.0
65.35023	1.2
67.54765	1.1
72.08171	15.1
76.93353	2.4
77.03947	10.8
82.01456	2.3
90.03765	1.5
95.04967	44.1
96.85817	1.1
100.02477	7.5
105.04525	14.3
117.35115	1.6
118.03461	1.9
118.06544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.7
53.03958	6.8
55.05509	0.9
72.04530	0.4
72.08159	13.7
76.93383	2.6
77.03929	7.2
81.03425	0.6
82.01443	1.6
89.03872	0.6
90.04245	4.8
91.05468	0.9
94.94409	0.8
95.04970	42.9
100.02498	4.6
101.06006	0.5
101.07983	0.5
105.04520	13.0
118.06539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
51.72102	0.5
53.03757	0.4
53.03960	8.0
55.05523	5.8
58.06593	0.6
63.58290	0.5
71.55035	0.6
72.08163	62.6
76.93385	4.2
77.03935	6.1
80.70648	0.5
82.01437	1.4
87.04467	1.0
87.99350	0.5
90.03754	0.8
91.05451	0.6
94.94396	0.7
95.04977	41.3
100.02489	8.8
105.04534	15.8
108.86160	0.5
113.36606	0.5
117.95956	0.6
118.03520	2.5
118.06538	100.0
118.08643	11.9
118.96725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.4
53.03960	8.5
53.04590	0.8
69.27200	0.8
72.08161	8.2
76.93317	1.1
77.03927	11.3
90.03734	6.6
92.01823	1.0
95.04971	51.6
100.02461	1.2
105.03947	1.0
105.04513	18.0
106.72754	1.0
110.03887	1.0
118.06510	100.0
132.29443	1.1
138.37122	1.0
139.94287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0656
Annotation	Indole
Peak:m/z	Relative Intensity
50.01619	0.7
51.02381	0.7
53.03964	6.4
56.08800	0.6
72.08160	9.0
76.93366	3.1
77.03941	9.8
82.01460	1.0
95.04979	45.0
97.74816	0.9
100.02482	3.8
105.04533	15.8
118.06548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	9.7
54.23377	0.8
55.05486	5.0
59.78740	0.9
63.50942	0.9
67.05500	1.6
72.08168	14.6
74.09688	1.8
77.03938	10.3
77.05520	2.1
79.05474	1.6
81.07037	1.4
82.01384	1.3
84.08109	2.1
90.03752	5.2
92.18463	2.0
93.34265	1.0
95.04974	45.4
96.04490	1.5
105.04532	16.4
109.93495	0.9
118.06512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02388	1.0
53.03960	8.4
55.05507	1.0
64.74538	0.7
70.42545	0.7
72.08157	18.7
76.52590	0.7
77.03930	10.3
79.32731	0.8
82.01452	0.9
85.39185	0.8
91.05453	1.1
95.04967	44.2
100.02470	1.1
105.04510	14.1
111.13596	0.8
118.06539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
53.03952	7.1
55.05522	1.0
62.87192	1.0
72.08157	19.1
77.03926	6.9
77.04330	1.0
77.90707	1.0
78.46195	0.9
80.15768	0.9
85.25263	1.0
94.25407	1.1
95.04968	41.6
105.04530	13.6
118.06549	100.0
118.08662	1.9
135.84586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0656
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
51.02372	1.0
53.03964	7.2
55.05497	3.4
56.05026	1.2
58.06567	0.7
62.00658	1.0
62.02427	1.7
64.86308	0.7
70.06544	1.1
72.04522	7.0
72.08166	36.5
74.09702	5.9
74.93785	0.7
76.93350	1.9
77.03931	5.6
77.04282	0.8
81.03345	0.9
83.62601	0.7
87.04377	0.9
90.03789	15.4
90.05556	12.7
91.05467	1.1
95.04971	35.1
100.02431	4.7
100.07610	7.5
101.06010	0.8
105.04523	14.3
117.95867	1.0
118.06579	100.0
118.08645	23.7
125.92617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
50.28476	0.2
51.02393	1.8
53.03960	7.3
55.01882	0.4
55.05525	0.5
57.54053	0.2
72.04506	0.3
72.08165	8.0
77.03933	6.7
81.03438	0.5
90.03797	0.3
90.05587	0.3
91.05498	1.5
92.17874	0.3
95.04974	45.6
95.21121	0.3
105.04530	16.0
117.07045	0.3
118.06549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.6748
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08128	0.8
86.09718	18.3
88.13822	0.5
91.05467	0.9
93.55688	0.5
97.06545	6.3
103.05451	1.1
104.06245	2.6
110.06034	1.2
112.07568	0.7
114.09158	0.7
114.12796	1.1
120.08097	16.3
130.06514	0.6
131.04938	3.7
134.09663	3.4
136.07582	2.5
139.23801	0.5
140.03438	4.5
142.49783	0.5
146.05997	0.8
148.11232	2.7
165.05525	1.1
173.09731	0.6
173.16455	0.9
176.10748	1.3
177.09114	0.8
180.13857	1.2
182.08180	2.7
182.15395	1.1
188.10760	3.0
189.09128	0.8
190.12294	2.0
200.10674	5.3
201.11475	3.9
202.12282	6.0
207.14967	3.0
208.13297	4.2
217.08572	0.7
219.10242	2.2
228.10312	0.9
231.10182	4.0
234.11201	4.5
236.12830	1.1
248.12805	9.0
259.18069	3.5
265.15375	0.6
287.17349	0.7
293.15079	0.7
309.12369	0.8
315.20721	1.0
358.21075	4.5
361.21140	3.4
369.44733	0.7
381.18280	1.1
389.20795	0.9
404.21918	2.1
418.68304	0.6
446.30249	0.8
502.28928	2.2
533.36945	10.1
561.36499	100.0
587.32324	9.3
615.31842	79.5
783.73090	0.6
1175.65601	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	117.055
Annotation	2-acetoxypropanal
Peak:m/z	Relative Intensity
57.03447	100.0
61.02938	18.5
66.42282	1.4
75.04494	1.8
76.04012	11.3
117.05479	29.1
117.07005	6.5
127.57523	1.4
130.79269	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.055
Annotation	2-acetoxypropanal
Peak:m/z	Relative Intensity
53.84161	1.4
57.03449	100.0
61.02931	17.9
68.53150	1.1
72.08150	1.1
75.04474	1.5
76.04011	28.7
89.03920	25.0
93.43697	1.2
100.07606	1.5
101.23563	1.3
106.37668	1.4
106.91196	1.2
115.05429	2.6
117.03395	2.9
117.05502	29.7
117.07006	6.9
127.42760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53263	1.4
57.03446	85.8
58.02964	3.7
58.06641	2.0
61.02937	17.2
69.03431	1.8
71.04998	2.4
71.06924	2.2
72.04501	2.3
72.08147	2.1
75.05612	8.3
76.04012	100.0
76.07627	1.8
80.59949	1.7
86.63610	1.7
89.03905	6.8
91.05469	2.2
99.04435	1.6
100.07594	1.7
100.11243	3.5
113.26534	1.5
115.05435	2.3
116.67224	1.6
117.05515	22.9
117.07006	18.7
117.10286	1.9
126.84302	1.5
129.01239	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	117.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87472	0.1
56.96569	1.1
57.03443	0.2
57.13734	0.1
59.05003	0.2
62.01608	0.3
63.02386	8.6
69.03430	0.8
71.04980	0.4
71.06915	0.3
76.03999	1.7
79.05486	0.3
81.30169	0.2
85.07844	0.1
89.03922	100.0
93.57359	0.2
98.97604	2.2
99.04477	0.2
116.97246	0.3
116.98627	1.4
117.03381	9.0
117.05546	0.7
117.06933	0.6
130.06517	0.2
134.99673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01120	0.1
56.96570	0.3
57.65281	0.1
59.75886	0.1
62.01608	0.3
63.02385	8.3
63.41885	0.1
65.85928	0.1
69.03436	0.3
70.67860	0.1
74.09697	0.1
76.04008	0.2
79.05495	0.5
89.03921	100.0
98.97578	1.1
100.07573	0.2
112.51915	0.1
115.05471	0.7
116.98628	0.5
117.03374	8.6
117.05665	0.2
117.06991	1.2
124.92376	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	116.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09408	0.4
56.96578	41.3
57.03447	1.0
57.93579	8.9
69.03436	4.4
71.01349	0.7
71.05005	1.2
71.95264	1.2
72.04527	1.2
72.08141	0.7
73.02908	0.7
74.93837	0.9
75.05612	0.7
76.04008	5.0
96.88000	0.5
98.97592	100.0
99.04454	2.1
116.97328	14.1
116.98621	80.9
117.05509	2.5
134.99667	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96581	0.8
63.02384	8.1
64.65102	0.2
73.26292	0.2
76.03994	0.3
77.91758	0.2
89.03918	100.0
98.97579	1.0
102.59657	0.2
116.98624	0.5
117.03373	7.9
117.05540	0.4
117.07066	0.3
134.99579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44697	0.2
59.99120	92.6
73.69152	0.3
80.96352	0.2
84.61082	0.3
88.02221	100.0
102.57498	0.3
107.86458	0.3
116.05323	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	116.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	0.2
59.99122	88.9
83.80837	0.1
84.04529	0.2
88.02224	100.0
97.65976	0.1
116.05323	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	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34970	0.1
53.00324	0.2
56.00476	0.1
56.05046	53.1
56.96574	2.3
59.57385	0.1
65.78843	0.1
70.06592	3.0
71.04998	25.9
74.02458	0.1
74.93838	0.7
84.04510	100.0
98.06046	0.2
99.04460	12.7
116.07092	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	D-Proline
Peak:m/z	Relative Intensity
56.05051	1.7
56.96579	4.0
68.05036	0.2
70.06597	100.0
71.04990	1.2
72.53043	0.2
74.06070	0.2
74.93829	1.0
84.04507	3.1
85.02918	0.3
88.07637	0.2
89.43140	0.1
91.70875	0.1
92.94855	0.2
95.46191	0.2
98.06016	0.3
99.04458	0.2
109.49921	0.1
115.05462	0.2
115.61483	0.1
116.06379	1.0
116.07092	29.1
116.10751	0.3
133.93401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03388	0.3
85.02910	3.4
89.61766	0.2
91.03935	0.3
92.17793	0.2
97.02848	0.8
103.44717	0.2
107.04939	2.0
110.18324	0.2
111.15839	0.2
115.05461	0.2
121.06479	0.3
123.04385	0.4
127.03852	0.5
131.04865	0.3
134.51123	0.2
137.05984	3.6
140.04626	0.4
143.04858	0.3
144.06508	0.3
145.04900	1.4
147.04373	0.3
149.05968	0.4
151.07503	0.4
153.05438	1.5
155.07043	1.5
155.08080	0.3
161.05966	11.2
163.07489	0.9
165.05446	0.3
167.07028	35.9
168.76372	0.2
173.05806	0.2
175.07539	5.5
177.05429	0.3
179.07030	4.2
180.08768	2.6
181.08481	0.3
182.26895	0.2
183.06471	1.0
188.04668	0.9
189.09099	1.0
191.05403	0.3
191.07033	6.4
193.08511	0.5
195.08003	0.3
201.07799	0.2
203.07028	28.0
205.06831	0.6
205.08594	14.2
209.08044	1.0
209.09775	0.3
215.06937	0.3
217.04881	0.2
221.08080	2.6
223.07401	1.0
223.09395	0.2
233.06056	0.5
233.08078	3.7
235.07465	0.3
235.09492	0.3
237.09067	2.2
241.08560	0.3
247.07486	1.7
249.08920	0.3
251.07036	2.6
255.10181	3.7
263.07031	0.8
265.08560	4.0
267.10104	1.1
268.07333	0.3
269.11533	0.8
270.08716	0.3
279.10141	1.7
281.11697	0.3
282.08945	0.3
283.09628	13.6
293.08011	2.0
294.08661	0.3
295.09662	4.8
297.11221	9.3
299.12796	0.5
300.09897	0.4
305.08051	0.3
307.09634	6.0
309.11063	0.4
310.08264	1.0
311.09116	0.8
311.12723	0.3
313.10782	0.2
314.11426	0.3
315.12250	37.4
321.11664	0.3
322.08417	0.4
323.09055	0.9
324.09949	0.5
325.10690	31.3
326.11417	0.3
327.12268	11.7
329.13730	0.4
337.10687	1.4
339.12247	6.1
342.10757	1.9
343.11905	1.7
355.11737	1.6
357.13312	100.0
360.12094	0.3
369.13257	1.9
371.15021	0.4
375.14374	82.4
387.14355	8.0
405.15433	49.3
422.18353	0.3
584.23413	23.6
637.97211	0.2
678.63782	0.2
833.12170	0.2
1147.01123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.087
Annotation	3-Aminopiperidin-2-one
Peak:m/z	Relative Intensity
53.03951	0.7
55.01879	0.9
55.05523	23.7
56.01408	1.6
59.05009	0.3
61.20316	0.1
69.03439	1.4
69.07053	0.3
70.06597	3.2
71.02988	0.4
71.53082	0.2
72.02864	0.2
72.08160	28.6
79.28479	0.1
80.53640	0.2
82.66261	0.1
87.04486	0.7
98.06059	100.0
115.03941	0.8
115.08694	92.9
115.24345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.8
55.19057	0.2
57.03438	1.2
57.04585	0.2
57.05810	0.4
58.38417	0.2
60.05661	0.2
62.02462	0.3
69.03436	0.2
69.07079	0.3
70.06598	3.8
71.02993	5.6
71.07350	0.4
71.53039	10.3
72.02859	3.3
72.08168	4.4
78.06902	100.0
78.57062	1.1
80.03510	1.9
80.53569	3.9
81.03401	1.6
82.53798	0.3
83.01531	0.5
83.03001	0.3
83.03887	0.6
84.04474	0.2
84.05637	9.7
87.04510	0.4
87.07414	4.0
92.03516	1.5
96.05644	0.5
97.02908	0.2
98.06081	1.0
98.07162	0.3
99.04458	0.9
99.52638	0.2
100.02489	0.6
101.02596	1.3
110.06031	0.3
110.07177	2.7
110.87340	0.3
115.03966	1.0
115.08691	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	1141.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02931	0.4
89.03872	0.6
117.03325	0.4
121.97401	0.4
135.04315	2.0
135.05362	0.3
136.64246	0.4
145.02769	1.7
163.03899	15.8
248.56393	0.4
258.16901	0.4
261.16983	0.5
285.12305	7.8
354.86819	0.4
362.18634	2.3
363.16739	0.5
364.20135	0.5
378.17996	0.9
380.19638	4.6
382.21295	0.6
388.60184	0.4
390.18216	1.9
391.15518	0.5
406.17639	45.1
408.19229	13.2
418.17715	0.6
422.20874	0.5
426.20319	6.3
436.19043	3.1
444.24298	0.4
452.18182	94.1
482.19376	3.9
533.27887	0.4
543.25928	1.8
561.27020	5.8
589.26367	1.0
607.27667	18.9
608.91571	0.5
632.21838	0.5
637.28888	0.7
733.36365	0.4
794.27698	2.3
852.20660	0.5
979.38129	9.2
986.35028	2.7
1111.42200	0.8
1141.43506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59078	0.3
55.03001	1.4
55.05517	0.5
71.02979	1.9
72.08163	24.0
72.62250	0.3
72.93795	3.7
80.03526	0.4
80.54015	0.3
82.26126	0.3
91.58144	0.3
97.07661	16.1
102.70249	0.3
109.38911	0.3
110.13918	0.3
112.88485	0.3
114.10294	100.0
132.34113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59078	0.3
55.03001	1.4
55.05517	0.5
71.02979	1.9
72.08163	24.0
72.62250	0.3
72.93795	3.7
80.03526	0.4
80.54015	0.3
82.26126	0.3
91.58144	0.3
97.07661	16.1
102.70249	0.3
109.38911	0.3
110.13918	0.3
112.88485	0.3
114.10294	100.0
132.34113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0918
Annotation	DMPO
Peak:m/z	Relative Intensity
55.01878	0.2
55.05508	0.5
67.05506	0.5
68.05018	0.5
69.07070	4.1
71.02988	1.7
71.04995	0.2
71.08628	0.5
72.08152	1.3
72.93793	2.0
79.05498	6.5
80.03505	0.2
80.90493	0.1
82.53770	0.1
83.06505	0.1
84.08155	0.1
86.06078	0.2
86.09711	0.4
90.94819	0.5
96.08137	4.3
97.06535	2.0
97.07621	0.7
113.96403	0.2
114.09170	100.0
114.10268	2.8
114.10291	3.1
115.14276	0.1
123.47717	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	1130.8279
Annotation	Unknow
Peak:m/z	Relative Intensity
84.05634	2.2
85.02903	0.3
114.09175	4.8
195.32381	0.2
197.13976	14.7
218.18727	0.2
220.16974	0.3
226.15587	1.7
280.20227	1.1
297.22913	0.4
321.22659	0.3
325.11313	0.3
339.23914	100.0
346.07510	0.2
476.63074	0.2
524.27216	0.2
596.96851	0.2
621.64056	0.2
776.46509	0.3
928.02039	0.3
1088.88818	0.3
1130.81482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1122.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
80.25251	0.4
84.08162	1.0
89.03917	0.8
92.84168	0.4
112.11260	4.0
114.57255	0.4
129.13847	3.2
136.07526	0.5
145.02872	0.9
146.16588	0.6
155.11766	0.5
163.03909	20.8
182.08250	0.6
216.11873	0.5
220.09692	39.7
228.54517	0.5
291.17108	3.2
378.18042	0.5
406.17825	0.8
464.20047	0.9
482.21005	1.0
492.99539	0.4
496.22971	0.6
506.20993	0.7
508.18933	2.3
523.23804	0.8
524.21802	10.6
540.21417	2.0
541.25055	0.5
542.22925	6.8
550.19849	2.6
552.21741	0.5
554.23224	0.6
566.18939	0.7
567.22461	0.6
568.20685	8.1
572.24237	0.8
586.22290	0.5
595.29596	0.7
598.22290	1.7
604.23193	0.9
612.31445	0.7
630.33148	0.7
663.28174	0.5
669.38031	3.3
687.38983	2.1
696.35052	0.5
705.29657	0.8
761.55280	0.6
857.37939	0.5
985.87994	0.6
1092.49500	4.4
1104.47095	0.6
1122.50293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.051
Annotation	Cytosine
Peak:m/z	Relative Intensity
52.01926	0.1
61.27450	0.1
62.79217	0.1
67.02997	0.3
68.01392	0.2
69.04556	3.2
70.06598	32.4
70.94260	0.5
70.95868	0.2
83.05676	0.1
86.57328	0.1
94.04057	1.6
95.02459	11.9
98.76975	0.1
112.05096	100.0
112.11236	0.7
122.73386	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	112.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	0.1
58.98737	0.0
59.99556	0.0
60.50397	0.0
68.05053	0.4
68.05389	0.0
69.04560	0.6
70.06600	100.0
70.94260	0.3
70.95856	0.2
70.98069	0.0
75.01047	0.1
82.05341	0.1
83.05682	0.3
83.06099	0.1
84.05779	0.1
84.06454	0.5
84.08159	0.1
88.95281	0.1
89.00253	0.2
89.52328	0.1
92.03509	0.1
94.04089	0.1
95.02457	1.6
95.06103	0.1
103.26221	0.0
112.05109	14.2
112.05910	1.7
112.07617	0.2
112.08728	0.7
112.11246	0.7
118.87624	0.0
127.36755	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0558
Annotation	Imidazole-4-acetaldehyde
Peak:m/z	Relative Intensity
53.03959	0.1
54.03485	0.3
55.01883	0.3
55.04260	0.1
55.05520	0.5
56.05045	1.0
56.96576	5.4
57.03448	0.1
57.93568	0.1
58.50557	0.9
60.01410	0.0
60.04542	0.3
60.99625	0.1
61.00811	0.1
61.02945	0.1
65.03955	0.2
67.05502	0.1
67.50710	0.1
67.51074	2.6
68.00847	0.1
68.05018	0.1
69.03448	0.1
69.04555	0.3
69.05389	0.1
69.07080	0.2
70.01344	1.5
70.06607	0.1
70.51505	0.1
71.03021	0.1
72.02880	0.6
74.97620	0.1
76.51596	2.1
77.66719	0.1
78.52979	0.1
79.01865	9.0
80.52747	0.1
81.01947	0.1
81.02832	0.1
81.03416	0.5
81.04553	1.2
81.52107	0.1
81.52563	0.1
82.01440	0.1
82.05332	28.8
83.06110	44.1
83.10829	0.1
84.04527	0.7
85.52125	0.4
85.53710	0.1
86.02647	0.1
87.00452	0.1
87.50596	0.3
87.53477	0.1
88.00484	6.2
88.02368	4.1
88.03523	0.3
88.04123	0.1
88.51592	0.1
90.52608	0.3
92.53558	0.3
93.02258	0.1
93.03358	0.1
95.01264	0.1
97.01001	3.6
97.02904	0.4
97.52084	0.1
99.51247	0.4
99.53479	0.2
99.54449	0.1
100.02490	0.9
101.00900	0.2
101.02599	0.1
102.02266	0.1
106.01553	0.3
111.05570	100.0
113.96438	0.1
115.02408	0.1
115.96424	1.9
116.97233	0.5
118.03564	0.3
118.76788	0.1
119.01929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1108.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
81.22664	0.1
84.08152	1.2
100.07632	0.8
112.02001	0.1
112.11249	1.4
123.04422	3.6
129.13956	0.7
130.12402	0.2
136.07582	0.5
138.09253	0.2
141.93196	0.1
154.08636	0.1
155.07640	0.2
163.03949	0.7
164.07072	1.0
165.05478	3.9
182.08214	0.6
208.09718	0.2
220.09747	1.0
221.08292	0.2
221.10458	0.8
221.12817	0.3
222.11250	24.2
234.11322	0.3
236.12755	2.1
239.13878	0.2
251.13914	2.9
265.15472	2.0
279.17105	0.3
292.17892	0.2
293.18594	3.1
309.20572	0.7
310.21277	1.8
362.18723	3.2
363.17007	1.5
365.18805	0.2
368.19791	0.2
378.18460	0.2
380.19669	6.3
380.24243	0.2
392.16217	0.3
393.18268	0.2
402.16013	0.2
403.12741	0.2
404.15302	0.3
406.17630	11.6
407.18359	0.7
408.19284	1.1
419.16275	0.2
421.17688	0.3
422.20819	0.2
425.19763	0.3
436.15247	0.6
447.15411	2.0
451.17404	0.6
452.18094	4.1
473.25381	0.8
474.26291	0.2
482.19949	0.7
484.22757	0.3
485.20688	0.2
498.24677	0.2
502.23047	0.2
508.19067	0.3
509.21237	0.2
524.21930	1.6
526.23608	2.9
527.21997	0.3
528.20905	1.2
540.21039	0.2
542.22894	1.6
543.26294	0.5
544.24365	2.0
550.19818	0.6
552.21295	1.2
554.23480	0.2
554.77069	0.2
556.24457	0.2
559.26202	0.2
561.27081	0.3
568.20789	3.7
569.24042	0.6
570.22260	4.6
583.29419	1.7
584.27557	2.9
588.23480	2.2
598.22156	0.8
601.30286	1.2
613.22510	0.2
614.21350	4.3
615.32507	0.3
627.28333	2.0
628.27289	0.6
632.34662	0.3
641.28894	0.3
645.29254	0.2
659.30347	0.2
671.27197	0.3
676.32751	0.2
693.92139	0.2
702.31604	0.2
705.28796	0.2
769.31189	0.3
782.37952	0.6
817.43030	0.2
833.43097	0.2
835.44098	0.8
837.19202	0.2
851.43414	0.2
853.45178	0.2
861.42194	0.3
879.42249	0.6
897.43994	1.0
1078.50916	2.6
1108.52368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08142	1.5
87.09191	0.5
89.03889	0.5
92.17871	0.1
98.09669	0.2
107.95736	0.1
110.06038	0.2
110.09675	0.2
111.10421	0.2
112.11237	3.0
113.07114	0.2
117.03362	0.5
122.06031	0.2
124.07560	0.2
126.62261	0.1
129.13078	0.1
129.13870	2.2
135.04457	0.9
136.07591	0.2
138.09108	0.1
145.02866	1.0
146.16478	0.2
154.08659	0.2
155.11765	0.6
163.03893	18.4
164.07045	0.2
165.05501	0.2
182.08049	0.2
206.08139	0.2
216.76442	0.1
219.11328	0.8
220.09680	32.1
221.08072	0.2
222.11304	0.2
234.11195	0.5
235.12004	0.2
236.12906	0.9
245.12939	0.1
249.12321	1.4
251.39157	0.1
253.15521	0.2
265.15512	1.3
279.17038	0.8
290.16113	0.2
291.16989	3.1
292.17865	0.2
293.18671	0.5
308.19711	0.5
309.20486	0.8
310.21213	1.0
336.20419	0.1
362.18652	3.0
363.17050	0.8
378.18112	0.3
380.19675	5.7
381.20551	0.3
391.15625	0.2
392.15732	0.2
393.18097	0.2
402.16177	0.2
403.16827	0.6
404.16028	0.2
406.17615	10.4
407.18326	0.3
408.19217	1.8
419.16296	0.2
421.17697	0.3
422.21033	0.2
425.19473	0.6
426.20081	0.2
436.14917	0.5
446.15463	0.2
447.15607	1.5
451.17349	0.6
452.18121	4.3
453.22861	0.2
454.23553	0.2
471.23669	0.2
482.19513	0.8
502.23386	0.2
508.22986	0.2
516.25067	0.2
524.21783	1.4
525.25348	0.1
526.23547	2.3
527.21844	0.2
528.21106	0.5
540.21393	0.2
542.22693	1.5
543.26093	0.7
544.24622	1.6
550.19617	0.2
552.21344	0.8
553.76416	0.2
554.23145	0.2
561.27032	0.8
564.21021	0.2
568.20685	3.0
569.24054	0.7
570.22339	4.4
588.23383	1.8
597.31299	0.2
598.21619	0.2
607.27539	0.2
613.22754	0.5
614.21381	3.9
614.32434	0.3
615.31696	0.6
632.34869	0.2
639.27563	0.2
641.29895	0.6
653.37823	0.2
654.36676	0.6
658.32269	0.5
659.31049	0.6
671.39404	1.2
672.37756	0.3
676.33734	0.6
685.28601	0.3
689.40363	0.2
697.37109	0.6
698.36041	0.2
702.31531	0.7
715.38159	1.4
723.31244	0.2
733.39465	0.7
759.37054	1.1
769.31110	0.5
833.43536	0.2
859.39856	0.2
870.47699	0.2
895.42010	0.5
1062.50952	0.2
1076.49524	2.7
1106.50793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
76.81612	0.9
76.86626	1.2
84.22223	1.0
109.54978	1.0
122.06042	4.6
136.07617	2.2
138.09187	5.6
164.07068	29.5
174.09143	5.0
177.06570	1.9
181.09723	7.6
191.08180	6.7
192.10168	1.0
217.09790	1.2
229.06195	2.2
230.08186	1.9
233.09291	1.3
244.09731	1.3
245.09239	12.0
246.07532	1.7
248.09164	4.4
257.09106	1.1
259.10876	4.2
261.08707	33.3
263.10236	25.9
271.07251	4.9
275.13971	2.2
285.08771	1.5
287.10245	22.0
289.08237	4.0
289.11719	2.0
301.11768	25.4
305.11343	31.7
305.14810	1.2
307.12863	6.8
313.07990	9.0
315.09756	2.2
331.09177	1.2
333.10870	2.2
381.17905	1.6
383.35840	1.1
384.19269	1.3
385.17575	1.3
398.16531	1.4
398.20975	1.4
406.17703	7.6
408.19418	4.3
409.17453	1.4
420.19617	3.5
424.18488	4.0
426.20212	10.5
434.17050	12.2
436.18350	1.5
438.20319	6.9
452.18207	30.7
468.17450	4.2
470.19290	2.0
543.26709	1.3
589.19330	1.1
589.26849	19.6
607.27698	64.1
619.27722	35.5
637.28717	100.0
883.24750	1.2
1124.08899	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	1094.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05485	1.8
93.03411	1.8
95.04929	1.2
103.05473	1.8
105.07028	8.4
106.04200	1.3
119.04932	1.7
121.06498	2.0
125.06001	1.0
131.45061	0.9
133.06532	9.5
133.07414	1.4
135.08054	1.2
137.05995	5.1
149.05988	12.7
150.06741	5.7
151.07527	6.3
151.53355	0.9
153.09122	4.2
161.05948	1.8
163.03830	1.7
163.07516	1.1
165.09077	9.7
167.07045	13.2
175.07600	1.7
177.05475	11.0
179.07019	2.0
181.08591	8.2
191.07018	1.8
193.08615	96.9
209.08089	56.8
211.09650	100.0
223.04250	11.2
330.10223	1.7
364.43472	1.0
391.17484	1.1
542.20319	12.1
572.18262	1.4
622.97614	1.0
800.87756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1094.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
78.14203	0.5
79.05488	0.6
79.65041	0.5
85.02898	4.5
91.03931	0.5
91.05499	4.7
92.32224	0.6
95.04971	2.2
95.48932	0.8
97.02890	1.0
104.81289	0.5
109.28532	0.6
119.04930	4.3
121.06451	1.4
123.04404	2.7
127.03924	1.0
131.04977	0.6
133.06514	1.1
135.04486	0.9
137.06000	4.0
140.04704	1.2
145.04955	1.1
147.04401	5.1
149.05988	7.4
151.07529	2.9
152.35909	0.6
153.05466	0.7
155.06981	4.8
159.09578	0.5
161.05988	3.7
162.06659	1.3
163.03893	7.4
165.05435	8.3
167.07033	72.1
175.03867	1.3
177.05470	4.7
178.02724	0.6
179.06993	6.7
180.04179	1.1
180.08702	4.2
181.04988	3.0
181.08600	0.7
183.08070	0.9
189.05438	1.0
190.43625	0.6
191.07007	1.1
193.03311	1.5
193.04977	7.3
193.06549	0.8
195.06548	3.7
195.08147	0.7
205.04951	7.6
209.06335	0.8
209.07988	4.5
223.06010	39.2
239.07088	0.7
241.08638	0.9
243.10335	0.7
243.55240	0.5
243.58087	0.6
251.07187	0.6
261.07742	0.6
269.08102	2.9
281.08289	0.9
287.09122	3.6
295.05981	4.6
297.07611	2.5
309.07339	1.1
313.10718	2.2
315.08624	14.4
327.08707	4.6
329.10199	45.2
332.08905	27.2
341.10239	6.3
347.11273	28.4
353.10193	1.3
359.11179	16.5
371.11340	3.1
377.12308	100.0
385.12851	3.9
389.12183	0.6
403.13885	1.1
524.15936	3.3
556.20441	4.5
606.10571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08151	1.3
84.90821	0.2
96.08192	0.3
100.07642	1.1
105.08907	0.2
112.11275	1.7
122.62303	0.2
123.04423	4.1
129.13866	0.3
132.42357	0.2
136.07634	0.5
141.10280	0.3
163.03867	1.8
164.04291	0.5
164.07082	0.3
165.05478	4.9
208.09790	0.3
220.09647	2.2
221.10359	1.0
222.11264	30.7
234.11339	0.6
236.12914	1.4
251.13988	2.6
262.14227	0.3
265.15427	2.2
278.58466	0.2
279.17184	0.3
293.18552	3.0
309.20517	0.3
310.21484	0.4
362.18726	2.5
363.17245	1.1
378.18222	0.4
380.19675	5.3
392.16183	0.5
404.16135	0.5
405.16232	0.3
406.17612	17.2
407.18225	0.5
408.19086	1.4
436.15192	1.5
446.15341	0.3
447.15555	3.3
451.17511	1.0
452.18167	2.3
473.25516	1.1
474.26788	0.3
482.19534	0.4
508.18375	0.4
509.20728	0.4
524.21973	0.5
526.23596	0.5
527.22278	0.4
528.21558	1.7
542.23169	1.6
544.24847	0.6
550.19910	0.5
552.21362	1.8
568.20715	6.0
569.23596	0.5
570.22296	5.3
583.29785	0.4
584.27826	1.7
588.23822	1.4
598.21594	0.4
601.29962	0.3
613.22394	0.4
614.21375	3.2
614.32855	0.3
627.28296	1.4
659.31085	0.4
671.29370	0.3
714.88745	0.3
879.42255	0.6
897.43762	0.4
1060.49048	2.5
1065.78113	0.4
1090.51257	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.03960	2.7
55.05526	5.2
65.03948	2.9
67.05513	100.0
69.07082	3.1
74.99841	0.4
77.00185	0.4
79.05504	6.2
81.03431	5.5
81.07063	28.8
86.00705	6.3
86.50634	1.1
89.58478	0.3
94.07843	0.5
95.01221	0.7
107.08584	2.8
107.86449	0.4
109.02903	2.7
109.06522	5.7
109.07710	2.4
109.10162	88.1
111.83799	0.4
111.96882	2.8
129.97929	0.5
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	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00312	0.2
53.01771	0.1
53.03957	2.2
55.01877	0.1
55.05522	6.2
56.27532	0.1
65.03952	2.2
67.05511	100.0
69.07070	3.2
77.00166	0.2
79.05497	4.1
80.06282	0.8
81.03428	6.8
81.07063	27.9
86.00700	3.1
86.50591	0.3
91.05505	0.2
91.84230	0.1
94.04147	0.1
94.07826	0.6
95.01218	0.6
95.04995	0.2
99.94388	0.1
105.07056	0.2
107.08604	3.7
109.02881	4.1
109.06529	2.3
109.10161	93.1
109.58394	0.1
111.96857	1.3
129.97916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1017
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.07479	0.1
51.02389	0.1
53.03960	1.3
55.01883	0.1
55.05254	0.2
55.05523	6.6
63.44362	0.1
65.03950	2.4
67.05514	100.0
68.59309	0.1
69.07072	3.2
70.16150	0.1
70.94241	0.1
74.92571	0.1
77.00201	0.1
79.05065	0.2
79.05502	4.2
80.06279	0.5
81.03429	3.7
81.07065	27.3
85.01188	0.1
86.00195	0.2
86.00706	3.7
86.50615	0.7
91.05488	0.8
94.04195	0.2
94.07813	0.5
95.01231	0.2
95.04996	0.2
105.07047	0.2
107.04994	0.2
107.08606	4.1
109.02876	2.3
109.06540	2.4
109.10162	95.7
110.13973	0.1
111.96852	1.3
115.34674	0.1
129.97896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	0.1
53.03952	0.9
55.05522	4.9
55.05780	0.2
57.00607	0.1
65.03954	2.2
67.05511	100.0
69.07071	2.8
70.94254	0.1
73.49725	0.1
77.00183	0.2
79.05497	3.5
79.26500	0.1
80.06286	0.7
81.03428	1.3
81.07062	21.4
86.00704	2.5
86.50618	0.5
91.05473	0.6
94.07817	0.5
95.01225	0.6
97.51478	0.3
103.53940	0.1
104.78458	0.1
105.07018	0.2
107.08591	2.6
109.02886	0.8
109.06565	1.1
109.10160	75.5
111.96867	0.9
129.97900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1088.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08163	0.9
87.09202	0.6
112.11237	2.9
129.13890	2.4
155.11880	0.5
163.03903	19.9
197.93884	0.4
207.00179	0.4
218.08003	0.5
220.09702	31.1
236.12862	0.7
238.74130	0.4
249.12404	0.8
265.15533	2.0
271.41275	0.4
279.17282	0.5
290.16397	0.6
291.17154	2.3
310.21402	1.7
362.18652	3.3
363.16922	0.6
380.19604	5.3
382.59811	0.5
392.16113	0.5
404.16061	0.5
406.17624	14.8
407.12994	0.4
407.18524	0.5
408.19199	1.5
436.19199	0.5
447.15515	3.7
451.17279	0.6
452.18445	2.7
526.23712	1.5
542.23401	1.7
544.24506	0.8
552.22119	0.8
568.20978	3.8
568.61761	0.4
570.22278	4.6
588.23969	1.9
613.22784	0.4
614.21283	3.4
662.89111	0.5
671.39484	0.6
715.38531	0.9
733.41058	0.5
733.54407	0.5
1058.48315	2.7
1088.49731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1088.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
75.58957	1.2
81.03429	17.9
81.07073	6.2
82.13394	1.0
84.08119	1.2
85.02910	100.0
85.18637	1.1
87.00835	24.4
91.03957	1.9
93.07040	2.7
95.04960	1.5
95.08595	8.7
97.02291	2.2
97.02895	40.5
99.04453	10.3
105.01876	42.3
105.07047	1.7
107.08582	5.0
109.02885	33.4
109.10150	11.2
111.04397	1.2
119.08570	1.8
121.10160	11.3
123.11685	2.8
125.09607	2.4
127.03922	70.1
131.08582	1.9
133.10159	5.2
135.11697	7.7
139.11192	8.4
145.04965	25.1
145.10106	4.9
147.02899	2.6
147.11700	9.4
149.13258	6.3
159.02846	8.8
159.11679	4.4
161.13211	2.2
163.05997	1.9
173.13245	2.0
175.14801	1.5
179.10632	1.9
185.13269	2.4
189.03975	2.7
193.12239	9.0
199.14859	3.0
213.04018	5.5
213.16399	1.8
227.17946	1.3
229.19656	1.3
231.05023	16.5
243.21175	2.6
249.06030	10.4
255.21062	32.7
257.22659	2.0
271.20477	1.6
273.22137	21.2
283.20453	1.8
289.21503	2.0
291.23236	10.0
301.21667	22.8
319.22659	9.4
325.11304	10.5
337.23724	43.6
337.27744	1.5
357.08414	1.6
375.09256	7.3
393.10236	23.1
411.11322	40.7
425.35083	1.2
463.28412	1.3
499.28955	8.4
503.26227	2.3
521.27545	10.7
531.25977	2.3
539.28833	8.9
542.77570	1.7
549.26892	15.9
567.28064	31.0
573.16528	2.4
585.29071	65.0
747.34137	5.5
1088.47034	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	1078.58
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04481	1.3
79.05505	0.4
81.07066	4.3
82.43648	0.2
83.04993	2.3
83.08629	0.3
85.02910	20.6
87.04450	0.4
89.71281	0.2
91.05492	0.3
93.07053	1.4
95.08614	2.4
97.02891	1.1
99.04433	0.3
105.07061	1.3
107.08590	1.8
109.02899	0.3
109.06572	0.4
109.10161	0.5
111.04450	5.5
113.06045	1.3
113.09654	0.5
117.05498	0.4
119.08575	0.6
121.10129	1.8
123.11703	0.3
124.36529	0.3
125.05975	0.5
127.03932	0.6
127.11198	0.3
129.05486	7.0
129.06969	0.3
131.08577	2.3
133.10144	1.7
135.08070	0.4
135.11760	1.8
137.09610	0.4
139.10268	0.3
139.11162	2.0
143.08626	1.3
145.10153	1.7
147.06554	1.3
147.11737	1.2
153.12776	1.7
154.30812	0.2
155.08723	0.3
157.10149	4.0
159.11716	1.4
163.11198	0.5
169.10144	0.5
171.11723	1.6
177.12633	1.8
179.14331	1.3
181.12227	0.6
183.11728	0.5
183.13905	0.3
185.13295	0.6
195.11786	0.3
195.13860	1.8
197.13182	0.3
199.14832	0.3
211.14772	2.8
213.13220	0.3
213.16379	13.6
223.14775	0.3
237.16484	0.4
251.17830	2.4
269.19046	0.6
279.21191	1.3
297.22333	0.6
315.23251	0.4
391.30032	0.3
392.71353	0.3
409.31186	1.1
427.32190	4.0
589.37280	0.6
735.43542	3.3
737.95728	0.3
757.73834	0.3
783.13483	0.3
881.48907	100.0
882.47931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.5664
Annotation	Unknow
Peak:m/z	Relative Intensity
96.42241	0.2
120.08089	0.4
160.07578	30.2
161.08360	1.0
170.09663	1.1
174.09161	1.0
186.09148	86.6
187.09926	38.6
199.20692	0.2
202.10954	0.4
203.11818	0.4
217.13351	4.8
218.14145	41.9
317.18555	0.4
348.69299	0.2
464.25479	100.0
615.31732	1.2
967.70215	0.3
1078.56543	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	1078.395
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02926	0.6
91.05461	1.3
93.03404	8.9
93.07042	1.6
96.80846	0.6
97.06506	0.9
103.05481	1.3
106.04186	7.1
109.06546	1.0
119.04966	1.1
121.06501	11.2
125.05982	5.7
131.04881	1.1
134.03625	1.1
137.05992	11.5
149.05978	30.9
151.07541	7.0
153.05528	0.8
153.09114	8.6
163.03925	1.8
163.07520	1.5
165.05458	10.0
167.07005	8.6
177.05461	22.7
179.07024	59.2
181.08569	16.2
183.06497	2.7
191.07040	9.2
192.07809	1.6
193.04967	0.9
197.07982	4.8
209.06522	1.1
209.08080	90.0
223.04236	9.1
225.07565	100.0
236.86624	0.8
312.08994	1.4
330.10013	1.5
334.10495	0.7
385.12607	1.3
405.15594	1.7
417.15237	3.1
435.16440	2.8
556.18268	11.0
570.06976	0.8
714.52344	0.9
758.17041	0.8
821.28119	0.8
851.67480	0.8
1078.40698	0.9
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
50.69730	0.1
51.68638	0.1
53.03955	0.8
53.61627	0.1
55.01887	0.2
56.06829	0.1
65.03951	6.3
67.05518	1.3
70.94858	0.1
77.03939	1.5
79.05499	26.8
84.01518	0.2
91.05482	83.5
92.06268	1.8
95.04967	6.4
105.04533	2.0
105.07037	39.2
106.04178	0.9
107.04960	26.3
107.08596	100.0
109.06517	27.3
110.52998	0.2
119.06062	14.0
119.47657	0.2
124.05220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.1
53.28550	0.1
55.05521	1.7
55.60728	0.1
55.76980	0.1
57.64738	0.1
65.03953	7.2
67.05515	9.5
77.03929	1.2
79.05502	100.0
91.05486	68.8
92.06260	2.5
95.04973	6.3
101.66095	0.1
103.05464	0.2
105.04534	2.3
105.07040	24.0
106.04196	0.2
107.04969	3.8
107.08601	42.4
109.06523	14.6
119.06078	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	107.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01567	0.1
51.02412	0.2
53.03961	1.1
55.01884	0.2
55.05527	0.3
56.96581	0.2
61.26755	0.1
64.37251	0.1
65.03951	7.8
67.05514	3.9
77.03940	1.9
79.05501	49.4
91.05485	91.9
92.06254	2.4
95.04969	7.2
95.05556	0.3
103.44353	0.1
105.04560	2.3
105.07040	38.3
106.04197	0.7
106.24918	0.2
107.04965	32.0
107.08601	100.0
109.06522	28.6
119.06073	14.9
124.05161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.1
51.02396	0.3
53.03961	1.3
62.57713	0.1
74.42611	0.1
77.03934	1.4
79.05500	100.0
82.02025	0.1
91.05477	0.1
95.04970	7.0
105.04522	2.2
107.04961	12.0
107.08596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0497
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02375	0.1
53.03955	1.1
55.01880	0.6
65.03951	4.2
67.05508	0.7
74.90524	0.1
77.03922	1.1
78.26313	0.1
78.84957	0.1
79.05499	14.3
81.03413	0.2
91.05482	46.3
92.06259	1.2
95.04362	0.2
95.04972	7.0
103.05460	0.2
105.04540	2.0
105.07037	20.4
106.04173	0.2
107.04960	100.0
107.08595	55.3
109.06516	15.5
119.06065	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	1066.7761
Annotation	Unknow
Peak:m/z	Relative Intensity
85.79200	0.5
92.17770	0.5
103.05523	1.6
114.10275	4.6
115.08693	3.5
125.61797	0.6
128.11847	6.7
129.10226	13.7
131.04927	20.9
144.08040	2.6
146.96605	0.5
163.24544	0.5
175.42177	0.5
193.67511	0.5
201.13872	16.1
202.12262	32.2
212.28842	0.5
219.14914	7.3
220.09593	0.7
244.14452	8.4
258.16019	8.2
275.18661	100.0
559.77234	0.6
1066.76111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.6883
Annotation	Unknow
Peak:m/z	Relative Intensity
79.54807	0.4
84.08150	0.6
86.09705	17.7
91.27869	0.4
97.06516	4.8
100.11315	0.5
113.10754	0.4
114.09139	2.1
114.12816	0.7
134.06023	5.5
135.06804	0.6
136.07559	0.8
141.10197	0.7
152.10651	1.6
166.12383	0.5
173.16454	4.1
180.13788	1.8
181.14583	0.5
182.15355	0.8
190.12280	5.8
202.12247	10.5
208.13335	2.3
212.10696	0.4
239.17476	0.7
247.14395	2.3
287.21021	0.6
313.19122	0.5
315.20767	3.6
343.20148	0.6
358.21304	1.4
374.28009	0.5
400.29630	0.8
467.76297	0.5
487.36395	9.9
515.35919	100.0
627.00702	0.5
838.71777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.6877
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08149	1.0
84.11958	0.4
86.09209	0.8
86.09712	17.6
97.06526	5.2
100.11227	0.6
102.37817	0.4
114.09165	1.0
114.12797	0.5
120.85261	0.5
134.06062	5.7
135.06833	0.5
136.07591	0.7
141.10207	1.8
152.10735	1.8
173.16510	3.4
180.13815	2.4
181.14630	0.6
182.15352	0.7
185.00229	0.4
190.12271	7.0
193.84760	0.5
199.08180	0.4
200.10780	0.9
202.12285	9.5
208.13321	3.4
212.10707	0.6
222.06848	0.5
225.05020	0.4
229.13338	0.8
230.11708	0.6
247.14418	1.1
313.18842	0.6
315.20779	2.0
329.34030	0.5
358.21149	1.8
374.77109	0.5
400.29495	1.6
428.28925	0.6
487.36411	9.8
515.35931	100.0
575.41235	0.5
919.80334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
79.62750	0.7
83.36325	0.6
91.05484	1.3
116.23203	0.8
118.35208	0.7
119.04932	1.6
120.11948	0.7
123.68972	0.6
130.15097	0.7
147.04413	28.1
147.05490	1.2
157.87567	0.8
161.87982	0.8
285.12274	10.5
322.46515	0.8
362.18857	3.3
380.19720	7.5
390.18198	1.6
391.15573	1.4
406.17630	55.6
408.19104	15.7
408.24500	0.8
418.17563	1.0
426.20319	5.7
436.18930	3.8
452.18170	86.8
482.19467	3.6
490.45975	0.8
543.26270	2.8
561.27197	7.4
591.29034	0.9
607.27777	12.2
637.29242	5.3
704.24890	1.4
866.30048	1.3
889.34924	9.6
896.30896	4.5
1021.39142	3.5
1051.40344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.1
51.02388	0.1
53.03959	0.8
54.91719	0.0
55.01881	0.1
58.98026	0.0
59.42808	0.0
63.02346	0.0
76.32415	0.0
77.03932	2.7
78.79251	0.0
79.05498	21.9
81.03423	0.2
92.17799	0.0
95.04969	8.3
98.77306	0.0
101.66177	0.0
103.05476	16.7
105.04594	2.4
105.07032	100.0
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	Unknow
Peak:m/z	Relative Intensity
50.01608	0.1
51.02395	0.4
53.03957	1.2
65.75958	0.1
65.99504	0.1
73.30316	0.1
77.03931	2.9
79.05499	22.6
81.03418	0.1
83.54589	0.1
87.73245	0.1
91.70788	0.1
95.04973	8.6
99.74407	0.1
103.05477	18.7
105.04584	2.5
105.07036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.473
Annotation	Unknow
Peak:m/z	Relative Intensity
81.94679	0.2
84.53136	0.2
85.02849	0.4
87.12624	0.2
89.03852	0.4
89.10788	1.6
97.02840	0.2
117.03302	0.3
135.04465	1.3
145.02881	1.3
163.03911	22.8
164.06914	0.3
182.08032	0.3
189.51003	0.2
233.12851	4.6
234.11234	3.2
251.13892	0.9
268.19354	0.2
284.11755	0.4
285.12311	3.2
362.18677	2.2
364.20337	0.4
378.18390	0.6
380.19720	6.2
381.18060	0.4
382.21301	0.7
390.18210	4.0
391.15994	0.3
392.19907	0.3
402.18228	0.3
406.17642	41.1
408.19217	7.7
409.17627	0.3
418.17679	3.5
420.19330	0.7
422.20978	0.7
426.20236	3.9
427.18332	0.3
434.17273	1.4
436.18787	3.6
438.19931	0.3
452.18195	77.5
456.39453	0.2
464.18250	1.2
482.19415	3.8
525.25055	0.3
543.26154	2.4
545.27625	4.5
557.27264	0.3
561.27130	10.6
573.27502	0.7
589.26807	1.1
591.28101	0.9
607.27667	13.3
637.28796	1.0
676.33142	0.4
702.31592	1.2
887.41559	0.8
1019.46161	5.3
1049.47192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.6869
Annotation	Unknow
Peak:m/z	Relative Intensity
77.42684	3.6
86.09702	29.1
100.84447	3.6
104.10764	77.0
125.00031	6.7
135.25412	4.0
168.99965	3.9
184.07362	100.0
202.01105	3.8
247.46829	4.7
263.72110	4.1
359.02347	4.5
496.33954	23.0
546.35547	8.0
869.52692	4.3
926.88245	4.1
1041.47632	6.7
1041.68481	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.7268
Annotation	Unknow
Peak:m/z	Relative Intensity
72.15453	0.6
76.63890	0.7
78.58865	0.7
78.96909	0.6
79.05527	0.6
86.09715	28.1
104.10757	71.1
125.00024	16.3
155.04449	0.8
184.07353	100.0
236.14900	11.0
258.28818	0.9
480.36450	1.0
498.37930	7.8
528.34143	3.2
546.35614	90.4
702.36139	0.8
868.72778	0.7
1043.51685	1.0
1043.72375	13.8
1057.75061	0.8
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	Choline
Peak:m/z	Relative Intensity
58.06606	1.3
58.06887	0.1
59.07384	0.4
60.08172	17.2
61.90459	0.0
68.76104	0.0
69.03433	1.0
81.99521	0.0
86.06064	0.9
87.03685	0.1
87.04473	3.8
104.10748	100.0
109.14679	0.0
123.90385	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	104.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	1.5
59.07381	0.4
59.07669	0.0
60.03214	0.0
60.08168	16.1
68.05012	0.1
69.03427	0.7
72.02854	0.0
86.06062	0.8
86.09654	0.1
87.04465	3.2
88.07594	0.0
103.89088	0.0
103.99388	0.0
104.10737	100.0
104.22469	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.6911
Annotation	Unknow
Peak:m/z	Relative Intensity
72.37583	0.2
81.07071	0.2
82.95572	0.1
86.09712	17.0
95.36606	0.1
98.98466	0.6
104.10779	2.0
125.00010	7.8
144.10210	0.3
159.31602	0.2
162.11169	0.2
184.07350	100.0
191.37709	0.2
196.82899	0.2
231.46324	0.1
236.14919	5.0
245.92538	0.2
412.26904	0.8
494.34497	0.3
502.32806	1.0
512.35889	3.9
520.34021	38.7
526.37640	0.2
547.33032	0.2
953.95227	0.2
971.45551	0.2
1031.48193	0.3
1031.69238	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	1035.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
71.87002	1.2
82.06568	4.3
84.04530	5.2
90.92573	1.1
92.32662	1.2
96.04514	1.8
98.06047	2.0
108.04496	8.4
109.02900	1.8
115.74192	1.3
116.07099	2.5
126.05520	34.5
128.07079	50.9
128.27338	1.2
130.05023	2.0
131.18089	1.2
136.81453	1.2
138.05502	38.0
144.06573	5.7
147.07664	2.7
153.10266	1.7
168.06555	28.0
168.07799	1.8
173.09224	100.0
181.09778	1.8
186.07634	13.0
199.10861	1.8
228.08795	1.3
239.10281	24.1
239.12479	1.5
244.13014	5.6
246.09822	5.6
257.11356	1.4
284.12436	8.6
296.70459	1.3
301.14078	10.0
302.13504	20.0
310.13831	1.5
329.13593	2.3
333.17511	2.0
373.17294	1.9
462.22104	6.7
493.49344	1.3
516.23273	1.9
605.27899	2.1
630.26154	2.9
701.29993	2.3
790.34479	15.7
791.10028	1.5
933.71338	2.0
946.38507	10.2
1035.43616	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.6907
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07063	1.0
86.09711	24.4
95.08591	1.6
98.98457	1.2
104.10751	70.2
106.91672	0.3
109.10173	0.4
125.00004	11.9
144.10176	1.0
163.01555	1.3
184.07343	100.0
184.78073	0.2
236.14919	10.8
242.39539	0.3
254.02225	0.3
258.11108	0.6
337.27487	1.3
392.64047	0.3
412.27054	1.4
443.26205	0.5
502.32977	2.9
512.35858	10.1
512.43170	0.5
520.33997	84.7
569.54913	0.3
647.60449	0.3
1031.69092	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	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
50.47351	0.1
51.02389	1.0
53.03961	3.6
53.71613	0.1
55.01883	0.2
55.15579	0.1
56.86067	0.1
67.91615	0.1
73.15707	0.1
77.03934	7.1
77.51543	0.1
81.03410	0.2
95.04971	22.2
95.18888	0.1
96.41949	0.1
102.04698	2.6
103.05474	100.0
105.04523	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	1018.7648
Annotation	Unknow
Peak:m/z	Relative Intensity
74.61961	0.7
81.29576	0.7
86.58748	0.7
96.08134	15.6
112.86291	0.6
113.10773	6.3
114.09166	67.0
115.07535	0.8
117.26050	0.7
132.10223	0.8
208.18132	1.0
209.16487	30.9
209.18349	1.1
210.14917	1.3
226.19171	11.5
227.17516	5.9
228.15933	25.1
245.18648	3.4
321.26727	3.7
322.24893	21.5
322.28326	1.3
323.23282	0.9
339.27509	8.3
340.26175	4.5
341.24344	11.6
358.27249	1.4
434.35175	1.5
435.33478	7.7
452.35962	5.4
453.34558	1.2
454.33157	2.7
501.26859	1.0
532.59424	0.8
565.43958	1.2
743.21729	0.8
764.74652	0.8
767.18109	0.8
1000.76398	1.0
1018.76343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.7443
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45314	0.1
72.04495	0.1
72.08133	0.5
83.75273	0.1
84.05626	1.3
113.10767	0.1
114.09166	4.1
138.10263	0.4
149.09581	0.2
157.13797	0.1
197.13974	14.4
220.16994	0.5
226.15479	1.7
254.73314	0.1
278.18405	0.1
280.20230	0.9
297.22543	0.2
321.22849	0.6
322.21310	0.1
338.22574	0.1
339.23907	100.0
679.50580	0.1
892.19342	0.1
949.40448	0.1
1017.23688	0.1
1017.73767	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93221	0.1
84.05629	6.3
93.77177	0.2
117.46236	0.2
134.55353	0.2
194.08119	1.2
208.10829	0.4
234.85098	0.2
236.10248	0.8
254.11336	100.0
255.11671	0.3
333.23242	0.2
507.21973	21.8
760.32092	0.3
1037.22180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02911	1.5
79.29308	0.8
81.03411	3.1
83.80951	0.9
85.02911	100.0
86.17554	0.9
87.04479	1.3
91.03974	6.2
97.02900	30.0
97.09451	0.9
97.67224	1.0
99.04456	6.2
103.03931	1.5
109.02892	9.7
109.10155	1.1
115.03951	0.8
121.10133	1.1
121.54843	0.8
127.03920	33.0
139.21837	0.8
145.04968	41.1
163.06020	13.8
166.94884	0.9
174.95401	1.0
213.16176	1.0
255.20992	1.6
271.08063	1.2
273.22141	1.4
289.09207	4.3
291.23315	1.4
325.11310	80.0
337.23700	5.8
379.97836	0.9
487.16510	7.4
499.28867	1.2
1002.46838	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	1002.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
72.17787	1.1
81.03428	2.4
81.07056	2.9
85.02909	100.0
91.03949	7.1
92.17821	1.5
95.08617	1.8
97.02896	20.9
100.70233	1.2
107.08654	1.7
109.02882	10.7
109.10159	1.5
121.10161	2.8
126.79009	1.3
127.03928	29.3
130.10692	1.5
135.11778	1.8
139.11116	1.4
145.04968	39.3
163.06023	7.3
193.12386	1.6
211.42160	1.4
255.21138	7.1
273.22144	2.1
289.09222	2.5
291.23322	2.2
301.21588	2.5
325.11301	69.0
334.77798	1.6
337.23734	21.6
487.16699	8.1
499.28949	6.3
622.92035	1.4
1034.49463	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	1002.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20205	0.8
73.02934	1.3
81.03424	4.7
85.02907	100.0
87.04498	1.5
91.03966	7.0
92.08946	1.0
93.07062	1.2
95.08621	1.9
97.02896	24.9
99.04454	4.5
108.68747	1.0
109.02882	13.5
109.10160	4.2
121.10117	3.9
127.03921	29.9
133.10101	1.0
135.11725	1.1
139.11125	2.3
145.03874	2.0
145.04964	39.9
147.11720	1.4
149.13283	2.1
158.42397	1.0
159.11696	1.3
163.06009	10.5
166.68997	0.8
193.12233	1.8
230.84033	1.1
255.20995	6.6
273.22131	5.9
289.09198	3.6
301.21674	3.6
325.11295	66.0
337.23718	24.1
487.16672	7.2
499.28989	8.7
1002.45679	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	781.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40106	1.2
59.01374	13.3
60.37719	1.2
71.01369	7.6
73.02942	13.0
78.69847	1.2
82.41046	1.2
87.87652	1.3
97.06577	10.7
101.02409	10.3
103.62809	1.4
107.05018	3.2
111.04500	2.6
112.05273	6.8
119.59472	1.6
121.02918	26.1
121.10191	7.1
122.03680	5.8
131.05011	6.4
139.88725	1.3
145.02936	98.5
145.04091	3.3
145.14066	1.3
146.03766	11.2
163.04001	14.3
164.04802	11.2
171.08168	2.5
189.59262	1.5
243.10252	73.2
261.11481	1.8
270.80963	1.4
277.70044	1.3
331.08188	8.9
349.09274	100.0
387.16660	37.1
395.13177	1.4
464.03073	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	781.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12579	3.6
59.01381	61.9
71.01373	75.2
73.02933	20.6
85.02953	16.9
87.00865	8.9
89.02425	76.4
96.96027	4.7
97.02918	5.7
101.02441	80.6
113.02448	37.6
119.03486	24.1
125.02403	5.4
127.18685	4.0
131.03470	24.1
143.03470	4.8
147.11763	6.1
152.15559	4.6
161.04552	31.7
179.05681	15.8
193.05016	4.9
221.06662	23.0
245.50180	4.4
341.10718	4.9
383.11932	18.3
404.19412	4.4
664.93439	4.4
721.33112	16.7
737.28680	100.0
739.34863	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	781.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.48294	3.5
61.52350	3.5
65.90028	3.4
70.99905	3.5
71.01364	82.7
72.54342	3.2
73.02940	23.6
83.01379	5.4
85.02923	28.7
87.00864	16.3
89.02426	83.5
90.53669	3.7
95.01397	5.8
97.02928	9.3
99.00873	6.8
101.02434	99.4
111.00854	5.2
113.02444	57.9
119.03470	23.0
125.02408	29.3
131.03468	7.6
143.03477	16.9
157.68835	3.8
159.02922	4.7
161.04585	33.6
174.14198	4.1
179.05621	4.8
209.15387	7.6
371.20691	4.2
392.87970	4.1
571.75977	4.0
671.17792	4.4
677.30298	93.3
695.31207	47.7
737.32501	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66158	3.0
56.28966	2.9
59.01378	14.6
71.01340	6.1
76.12014	3.3
82.40050	2.9
87.89363	3.4
89.02399	5.1
98.82839	3.4
101.02431	5.9
113.02421	8.1
204.29523	4.2
207.14676	3.9
224.93942	3.0
243.21730	3.4
349.20306	11.0
367.21176	17.1
438.64636	3.3
511.25012	6.5
529.26569	18.1
571.27502	15.1
645.25232	3.3
733.33105	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	777.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31087	0.6
59.01376	100.0
71.01368	13.6
73.02940	5.3
73.31954	0.6
74.66693	0.6
81.71397	0.6
85.02954	4.6
86.49941	0.7
89.02419	2.5
99.00846	1.0
101.02435	14.6
113.02406	8.5
125.02387	0.8
159.02925	0.8
161.04523	5.3
168.45503	0.7
265.53873	0.6
289.16690	3.4
315.18106	3.3
331.17603	12.9
357.19217	10.7
516.68365	0.6
602.14117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.0
67.54129	1.2
71.01376	2.1
73.02934	1.5
74.61801	1.5
89.02442	2.1
94.79352	1.3
113.02396	1.8
130.93741	1.4
149.79576	1.2
156.08206	10.9
158.06096	2.5
170.36230	1.2
172.07677	29.2
174.05641	1.9
200.07173	25.4
200.86946	1.3
202.05093	65.3
208.58217	1.4
218.08229	8.3
262.07205	100.0
376.40869	1.5
416.73022	1.4
471.22342	20.5
610.84436	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	779.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.9
57.09964	3.7
59.01374	100.0
69.03457	5.7
71.01373	84.8
73.02932	17.4
83.01362	8.9
85.02937	33.2
87.00858	6.2
89.02425	76.3
95.01356	6.8
97.02949	6.6
99.00899	15.0
101.02432	87.7
113.02432	47.3
119.03475	33.4
125.02417	24.8
131.03467	10.1
137.09741	4.5
143.03459	10.1
161.04539	25.7
179.05434	4.5
207.13940	42.4
219.92027	4.5
221.06638	16.9
241.37897	4.3
323.09885	9.2
575.85522	4.8
675.28534	67.5
679.00702	4.9
693.29559	51.2
706.32617	6.2
735.31158	63.1
757.32458	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	779.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	84.1
59.66785	3.7
62.67680	3.5
71.01376	89.7
73.02940	18.1
85.02940	22.4
87.00861	18.7
89.02434	100.0
95.01373	5.4
95.28287	3.7
101.02431	84.6
101.56707	4.2
103.92846	4.2
110.29054	3.7
113.02441	68.8
119.03477	49.5
122.91095	3.5
125.02419	19.9
131.03481	20.4
133.39180	4.0
143.03468	21.4
155.03642	4.4
161.04535	48.5
179.05637	41.8
192.04199	4.0
203.05605	5.8
207.13931	4.5
208.24637	4.0
221.06657	26.2
323.09900	8.2
341.10892	22.1
375.79202	4.2
383.12000	18.3
412.81561	4.2
467.14688	4.0
543.88684	4.5
658.21863	4.9
675.28693	44.2
693.29968	35.8
727.69916	4.2
735.30908	62.4
779.12793	4.3
779.27606	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	779.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02610	4.1
59.01373	100.0
62.21139	3.6
66.28728	3.5
71.01367	7.3
90.90379	3.9
92.19392	4.1
98.56600	3.7
101.02421	6.3
107.35397	3.8
113.02438	4.4
291.18021	5.4
333.19241	16.1
349.81824	4.5
357.19354	6.6
366.25208	5.0
524.63708	4.3
558.51379	4.8
576.50861	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	781.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
71.23603	0.4
78.95899	22.1
96.96027	18.6
96.96947	100.0
110.45860	0.4
117.82552	0.4
141.40359	0.5
203.05382	0.5
439.08606	39.3
487.00931	0.5
661.60132	0.5
689.07898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70584	1.5
59.01376	100.0
65.04906	1.8
71.01384	18.6
73.02936	23.2
83.01368	4.2
89.02436	12.9
92.19359	2.3
94.90302	1.6
95.07487	1.8
101.02438	21.7
113.02435	9.3
119.03483	8.2
121.75324	1.9
131.03485	2.0
143.03494	1.8
143.13579	1.9
161.04582	4.3
165.99081	1.8
195.01099	1.9
221.06541	3.0
223.53844	2.1
247.11795	3.3
255.06577	23.0
266.12183	1.9
267.06610	23.4
289.12900	19.1
307.13858	7.8
308.04443	1.8
315.20169	1.9
429.21375	2.4
447.13092	8.3
473.10687	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	775.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84572	0.8
59.01384	2.1
71.01382	1.1
89.02400	1.0
95.03397	0.9
95.88713	0.8
96.95989	12.2
101.02457	1.1
104.12019	0.8
105.73762	0.9
113.02473	1.2
129.41286	0.9
135.04520	0.9
137.02448	1.1
151.03979	1.4
152.04779	6.5
163.03978	3.0
164.04800	1.5
179.07115	1.5
180.07889	11.4
182.05859	1.8
190.06445	1.1
192.07883	2.0
194.05908	6.8
194.09404	3.9
195.06580	7.0
205.08704	1.4
207.06509	1.2
209.08217	1.3
210.08969	3.7
212.06856	2.2
217.29707	1.1
223.09669	1.2
225.07710	2.0
225.11220	0.9
226.08528	2.0
329.14081	1.3
341.14194	0.9
343.11945	3.9
346.14209	10.7
358.14258	17.2
361.16614	57.8
361.21161	1.8
371.27441	1.0
373.16522	29.9
376.15271	1.7
391.17627	100.0
440.91180	0.9
553.22913	61.9
766.89978	1.0
775.27228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	35.2
71.01371	20.6
73.02937	5.8
85.02934	5.1
87.00848	3.7
89.02465	23.4
96.95994	5.9
101.02426	26.0
113.02441	21.2
114.79886	3.1
119.03455	4.4
125.02373	3.6
161.04536	7.2
165.60474	3.5
210.01195	3.3
221.06677	6.3
262.97681	3.2
273.75409	3.8
303.19836	5.0
345.14761	3.4
347.18509	6.2
365.19656	3.2
390.26376	3.1
466.55621	3.6
527.25055	5.2
658.28784	3.3
731.31281	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	775.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
63.02561	0.4
66.67078	0.4
76.81638	0.4
82.78189	0.5
83.29984	0.4
93.03455	0.8
96.96067	0.5
119.04957	0.9
119.39970	0.4
149.02492	3.4
175.04019	4.1
189.54344	0.5
201.01917	3.3
251.07144	13.2
253.05054	0.7
269.08173	10.5
277.05273	0.5
283.09686	4.3
285.16098	1.0
295.06110	100.0
309.07697	0.9
313.07364	0.9
402.70856	0.6
443.45706	0.5
475.12234	20.9
726.52747	0.5
731.30725	0.7
775.31146	2.0
807.41760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
71.01369	0.4
72.00041	0.2
74.02470	0.4
75.00877	0.3
78.56839	0.2
78.95885	2.2
79.95728	1.7
88.53477	0.3
93.75956	0.2
95.92339	0.3
96.95993	100.0
96.96983	4.0
101.02410	0.4
101.65532	0.2
111.25063	0.2
113.02451	1.4
126.95931	0.3
132.74011	0.3
138.23456	0.3
203.08246	1.0
241.99022	0.3
245.09329	1.4
278.71866	0.3
351.21771	1.7
422.82990	0.2
427.54279	0.3
454.79193	0.3
731.31219	2.8
775.46564	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	776.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.7
78.38387	1.8
82.02976	5.1
84.04533	52.6
85.02934	17.7
100.04028	40.6
113.02435	3.1
125.02426	4.5
128.03522	49.1
129.01935	2.2
130.80386	1.9
151.63832	2.0
173.83876	2.1
188.10843	3.1
192.17584	2.2
204.10298	14.7
232.09779	84.8
242.42445	2.3
250.10835	87.9
255.28761	2.2
265.32941	2.0
292.11911	100.0
294.99503	2.1
334.74936	2.3
383.13696	3.1
439.12576	3.3
732.29956	2.6
766.13403	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	776.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.2
61.98827	100.0
64.74078	0.5
71.01353	1.3
78.97413	0.5
89.02412	2.3
101.02402	0.9
110.06977	0.6
119.03438	2.0
128.58423	0.6
164.04546	0.6
179.05600	3.9
180.05904	1.0
189.74562	0.6
209.41400	0.6
236.43192	0.6
341.10196	1.3
342.10492	2.1
343.10803	1.3
344.10864	0.8
356.12689	1.0
357.13217	1.3
358.13135	0.9
359.13419	0.8
372.15298	2.2
373.15469	0.8
374.15668	1.3
554.23236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	9.1
74.28401	3.5
95.84902	3.6
103.60143	3.6
106.35684	4.1
107.34431	3.8
136.78879	4.3
236.16666	4.3
242.06821	15.9
243.07796	4.9
255.07739	18.5
256.08527	6.0
257.49963	3.7
265.09750	18.8
266.10608	46.8
267.11401	15.9
269.09375	34.9
270.10101	25.9
271.11038	4.4
284.11624	7.9
285.12393	7.0
314.09076	5.8
362.11523	5.3
372.13486	32.6
376.13107	8.8
386.14877	8.1
387.15811	16.2
494.19153	4.3
615.24799	29.9
777.29773	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	777.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	5.1
65.06966	2.6
67.37518	3.3
74.02460	16.9
74.69584	2.6
82.76478	2.9
86.02431	3.3
96.95996	3.3
99.05647	13.3
107.04983	2.7
128.03523	51.3
135.04524	100.0
135.05533	4.8
143.04613	79.6
146.04512	3.7
149.05991	3.1
161.02455	13.2
179.03346	6.4
179.04707	6.5
202.91640	3.0
205.36687	3.0
210.08844	13.3
239.05598	18.9
272.08875	12.9
291.17166	18.6
308.19907	5.3
318.05295	3.1
334.17743	79.7
340.17007	4.2
470.23529	21.4
470.29172	3.5
504.21692	77.4
583.62238	3.1
777.31036	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86628	1.8
56.06584	2.7
69.62255	2.4
70.63608	2.0
74.02449	13.9
77.24197	2.5
84.19215	2.8
84.19682	2.3
86.02424	2.7
88.84611	2.4
96.95992	59.6
99.05638	3.6
119.05042	28.6
126.64780	2.5
128.03514	35.2
135.04530	57.8
135.05557	5.2
143.04611	50.2
150.82420	2.3
161.02441	15.3
163.04015	15.5
167.01717	5.4
177.05702	2.6
179.04678	5.4
181.63155	2.2
210.08832	12.9
272.08850	12.6
280.55655	2.6
289.15637	5.2
306.18384	4.4
323.14215	5.7
325.09305	16.2
332.16089	49.6
340.16983	100.0
366.14993	20.9
502.20221	64.9
525.69067	2.5
775.29785	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.8
60.22543	1.0
68.65413	1.0
75.17254	1.0
76.16192	1.3
83.98219	1.2
96.95994	5.8
101.16898	1.3
108.84049	1.3
121.02908	1.3
123.00823	1.9
123.04498	4.9
124.01637	47.1
127.74895	1.3
138.03236	2.7
139.03999	100.0
165.05460	1.3
195.02905	1.2
203.05647	1.6
255.05084	5.8
263.50742	1.2
283.08191	2.7
343.10358	23.7
419.29755	1.4
602.95148	1.5
614.26093	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	775.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90198	1.6
73.81503	1.8
78.61118	1.8
95.21298	1.5
96.96017	3.6
101.04104	1.8
107.05002	10.3
121.96545	1.6
124.06938	1.9
128.03526	7.2
133.06583	7.8
149.06075	21.5
150.03223	3.9
165.05565	9.7
171.07784	1.9
177.05574	30.3
179.03488	61.7
192.06604	2.8
195.06573	11.1
239.05618	100.0
295.13028	3.0
322.70700	1.8
535.19537	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	773.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
60.74201	1.7
68.20368	1.9
69.50880	1.6
71.01373	11.4
82.04103	7.6
87.49368	1.8
95.27483	1.7
97.02943	2.9
98.03699	2.2
100.32256	1.8
114.96581	2.0
122.99875	1.8
123.08052	1.9
141.09210	100.0
147.43285	1.8
153.11452	7.3
157.78871	1.7
159.37598	2.3
168.58899	2.2
185.08215	2.2
209.74921	1.9
271.18329	2.9
295.21399	72.5
300.14813	18.4
315.04517	2.1
315.17191	17.3
374.53806	2.0
477.22443	2.6
531.24091	2.0
611.39117	12.4
726.73718	2.2
773.44617	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38323	2.4
54.85844	2.9
59.01384	30.2
67.18952	2.7
67.45868	2.8
69.03467	3.1
71.01370	27.6
73.02937	6.6
74.38656	2.0
74.95113	2.3
75.53091	2.6
78.79995	2.5
85.02962	5.2
89.02408	27.4
96.95995	3.5
97.02952	3.0
101.02436	44.8
108.02158	15.9
113.02412	22.6
119.03477	15.7
123.04506	23.7
125.02409	3.6
131.03441	6.8
141.09180	9.9
152.01132	55.1
161.04541	6.7
165.05531	12.9
167.02060	3.7
167.03484	100.0
167.10783	2.6
179.05492	2.9
221.06656	4.8
293.07513	3.4
295.21368	5.0
313.43457	2.7
320.11899	2.9
510.49048	3.0
633.01270	3.2
713.30371	3.5
729.22382	51.0
773.30609	65.0
773.43256	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	773.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44654	2.9
56.87392	2.4
59.01366	13.5
62.79834	3.7
67.15065	3.0
67.15414	2.8
68.99785	4.0
71.01344	5.1
89.02399	4.5
101.02431	5.6
137.02463	4.0
138.03221	4.2
139.03940	4.2
153.05580	12.0
162.03163	3.9
179.07152	4.5
180.07942	4.2
191.03548	22.0
193.05032	26.0
205.12170	3.9
207.06639	30.1
208.03839	24.6
209.04530	16.0
223.06128	39.1
224.06752	7.5
225.07687	14.0
245.09306	14.2
339.19083	3.5
449.14529	100.0
773.25549	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	773.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37215	1.3
59.01374	52.3
59.95369	1.2
71.01376	32.2
83.35149	1.4
89.02425	56.8
93.66298	1.3
101.02414	17.9
113.02460	12.0
119.03489	19.8
131.03482	2.5
143.03433	5.6
161.04510	6.1
179.05592	67.9
277.61691	1.5
313.10779	2.4
324.09958	7.6
325.10748	10.2
326.11636	6.4
339.12326	7.6
340.13245	5.5
341.10284	100.0
356.12662	75.4
369.36942	1.4
371.14999	89.8
371.19781	3.0
551.21259	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	773.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18858	1.7
59.01377	70.9
67.41451	1.9
71.01367	44.0
73.02933	3.8
76.25600	1.9
83.01396	3.3
83.46187	1.8
85.02929	9.8
89.02428	45.2
95.01342	2.3
97.02928	4.2
101.02432	30.7
101.16298	2.1
113.02415	23.1
119.03487	19.2
125.02433	17.5
131.03493	2.9
133.54735	2.4
143.03453	4.4
152.08368	2.5
153.09177	8.4
161.04533	3.0
179.05620	15.5
221.06621	7.3
238.49181	1.8
243.56285	2.1
323.09833	100.0
325.10571	2.4
329.10266	14.4
340.13000	2.8
341.10287	32.0
344.12668	37.6
356.12625	24.1
359.15002	33.8
371.14972	16.4
429.21289	4.4
449.92123	2.2
729.39020	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	773.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51165	0.8
55.76193	0.8
59.01376	100.0
71.01364	13.0
73.02943	3.8
83.01385	2.1
85.02908	4.6
87.95491	1.0
89.02412	1.8
99.00858	1.6
101.02441	19.6
109.23589	1.0
113.02434	7.0
127.40549	1.0
136.04045	1.9
143.03523	1.1
152.07123	1.2
161.04573	11.5
179.05629	1.2
214.07629	1.0
224.10664	1.3
235.11845	32.8
238.07375	5.1
242.06863	2.4
243.11403	15.7
253.09778	10.2
254.10600	1.6
255.11198	2.1
267.11441	1.8
270.11301	1.4
271.10870	29.4
277.12894	36.9
285.12399	4.0
313.11981	8.3
343.12982	1.3
354.44180	1.1
373.13766	1.2
433.16309	4.4
524.04474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	27.3
61.44968	1.1
71.01369	12.0
72.99300	2.7
73.02936	8.6
75.00864	12.0
81.55721	1.2
85.02936	12.9
85.37488	1.4
85.66933	1.3
87.00842	6.1
89.02433	5.4
95.01387	2.5
99.00874	10.7
101.02420	5.3
111.00865	1.5
113.02425	16.3
137.02383	1.8
149.06085	2.9
151.03941	1.9
160.12398	1.4
164.04791	2.4
165.01866	2.7
165.05556	22.6
166.06357	19.2
179.07146	2.1
180.04230	1.5
181.05128	2.3
181.08690	3.1
209.04488	5.6
209.08168	2.2
211.05988	5.2
223.06174	2.5
224.06911	30.0
225.07675	100.0
225.14914	1.7
239.09241	40.9
281.08130	2.8
293.08218	2.1
387.20297	1.7
429.21130	5.5
435.16498	6.4
597.21692	1.8
729.40063	2.9
773.25031	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07827	0.7
60.93986	0.9
61.55040	0.8
81.03609	0.8
89.02411	1.1
116.73782	0.9
119.05003	85.3
163.03996	100.0
255.06578	9.7
267.06665	5.5
273.28995	1.0
285.08032	1.0
325.09302	31.1
339.76025	0.9
447.13043	5.8
588.77722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09871	0.7
55.62505	0.6
59.01385	4.3
63.39986	0.6
71.01362	3.6
72.62126	0.7
73.02898	0.7
78.81771	0.7
79.96279	0.7
85.02943	1.1
89.02424	3.3
101.02414	3.6
113.02391	3.0
123.00866	4.9
131.03485	0.9
137.02408	0.9
138.03214	15.0
141.22072	0.5
153.05550	11.3
161.04466	0.7
166.99815	8.8
176.08054	0.8
182.02199	100.0
183.02975	1.3
196.03745	0.8
197.04547	86.9
209.08203	2.9
211.06105	0.8
251.32651	0.6
301.27692	0.6
471.34726	0.7
496.89294	0.7
548.33844	0.7
747.37616	0.7
773.25085	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	773.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16235	1.3
57.75896	1.3
59.01365	11.7
64.17354	1.2
71.01370	12.4
73.02952	2.0
83.01422	1.7
85.02946	1.9
87.00864	3.3
89.02437	11.4
95.01369	2.5
97.02879	1.3
101.02433	11.3
107.01369	1.7
108.02174	16.2
110.39900	1.2
111.00857	1.8
113.02387	7.2
119.03457	5.1
123.04511	21.9
125.02460	1.3
131.03482	5.3
134.48393	1.5
145.02962	2.1
152.01137	63.9
160.05324	4.9
161.04515	5.9
162.03204	8.5
166.02701	5.7
166.52742	1.3
167.03488	100.0
175.07581	1.7
177.05527	2.8
179.05548	5.7
187.07652	2.8
205.08694	1.8
221.06630	6.6
263.07632	5.3
327.08826	3.2
352.50812	1.3
359.15207	5.2
371.15167	1.8
551.21429	7.7
561.18286	2.0
729.22424	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81232	0.8
58.76162	1.0
59.01370	2.5
59.57832	0.9
62.53176	1.0
62.69187	1.0
71.01370	5.3
89.02446	2.4
101.02428	4.6
108.02171	16.5
113.02414	1.8
123.04508	16.1
141.09174	1.5
150.03186	1.9
152.01144	61.0
165.05569	9.5
166.02707	2.2
167.03490	100.0
167.83963	1.2
185.53239	1.1
187.07526	1.2
195.06471	1.2
244.07535	1.4
428.76196	1.1
729.22467	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58583	4.5
59.01381	75.0
64.40059	3.7
71.01378	20.0
73.02933	21.8
74.00893	3.4
83.01369	4.4
89.02426	8.3
97.02927	8.1
97.57243	4.0
98.03706	5.6
100.93040	3.4
101.02422	22.7
113.02411	19.8
121.53900	4.3
131.03497	3.9
138.06859	4.3
151.07597	15.6
152.08340	31.9
153.09195	100.0
155.10805	5.0
167.08528	3.4
177.96904	3.8
192.42699	3.8
194.02272	3.9
195.06581	18.7
205.12343	35.3
205.23006	3.6
223.13387	16.6
239.00345	3.4
297.19763	6.4
299.17590	39.8
312.57062	4.2
324.72058	4.1
367.17868	4.2
381.79071	4.4
385.19131	4.7
427.19754	92.3
490.06775	4.4
523.20117	6.9
526.15417	4.4
727.38239	87.9
771.28082	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	771.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.3
62.77357	1.3
71.01376	15.1
73.02924	5.5
74.90196	1.2
79.96204	1.2
83.01379	2.8
83.42850	1.4
85.02929	6.9
85.55448	1.3
87.00860	2.1
89.02460	2.8
89.28207	1.3
92.19405	2.6
101.02433	20.3
113.02420	8.9
253.18031	5.4
397.22269	6.0
415.23358	32.0
457.24457	100.0
554.99585	1.8
727.45465	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	771.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06491	0.4
72.06359	0.5
85.02921	0.9
87.00853	0.7
96.71280	0.6
103.57309	0.6
107.04979	4.0
133.06578	2.4
135.04485	1.0
144.68446	0.6
149.06046	13.5
177.05545	14.8
179.03488	32.3
195.06567	2.6
205.03481	0.7
221.04457	0.8
223.04439	0.7
226.77591	0.7
239.05606	100.0
307.47061	0.6
390.97409	0.6
407.45868	0.6
527.95520	0.6
531.20801	1.0
574.58368	0.5
585.94379	0.7
712.34656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14884	1.9
59.01373	4.0
92.19447	3.0
96.95989	3.0
108.02143	12.4
109.68454	2.2
122.34798	2.5
123.04504	48.3
126.12000	2.3
127.05090	13.7
128.03508	10.3
148.04083	2.9
164.03519	19.0
173.44173	2.3
178.05092	16.7
192.06682	15.3
194.24454	2.7
218.04465	10.5
219.10893	2.3
231.11356	12.8
249.12450	3.6
251.10318	14.6
292.72522	2.5
337.15451	2.5
339.13574	2.8
340.14304	53.4
355.16641	67.3
373.60022	2.6
381.14581	26.7
591.23566	9.3
609.24500	13.8
771.29822	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	771.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43730	0.2
57.42268	0.2
72.82191	0.2
80.62892	0.3
92.19286	0.5
99.92582	4.0
116.92841	100.0
116.97220	1.1
195.14014	0.3
201.14259	0.3
211.55284	0.3
308.11111	0.3
405.68613	0.3
557.82605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29869	0.7
79.29459	0.7
80.59096	0.6
82.98439	0.7
97.81746	0.9
99.92554	4.2
111.66721	0.7
116.92844	100.0
116.97230	0.9
248.49207	0.8
255.39545	0.7
297.29410	0.8
356.31461	0.7
589.33044	0.9
680.51221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36274	1.6
59.01380	35.1
71.01369	34.8
73.02936	10.1
83.01372	2.0
83.87160	1.6
85.02942	10.2
87.00874	2.4
89.02438	41.8
92.19403	3.3
95.36677	1.6
97.02938	3.8
99.84845	1.6
101.02442	31.0
111.00867	2.2
111.72337	1.8
113.02425	25.5
119.03489	14.1
125.02391	6.5
125.49008	1.7
131.03474	4.1
143.03467	2.4
147.04591	1.7
161.04564	14.5
179.05612	2.7
207.13799	1.8
221.06686	6.5
225.14978	23.0
334.36176	2.1
377.14606	6.6
383.12341	1.6
711.30835	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	771.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	29.3
65.11230	1.2
71.01366	28.3
73.02930	7.8
83.01390	2.2
85.02931	10.3
87.00870	2.6
87.51872	1.6
89.02437	12.6
95.01367	2.2
97.02953	2.3
99.00842	2.2
101.02436	18.7
113.02411	13.6
119.03493	3.4
122.03712	3.5
125.02412	2.0
131.03491	2.2
165.05542	13.7
179.07204	2.2
191.07217	1.5
197.65550	1.7
223.05963	1.9
295.06143	3.3
313.14383	7.2
328.13135	7.2
343.15411	15.7
346.14175	8.5
347.14886	3.1
361.16571	100.0
441.09616	1.6
457.11566	3.4
475.20255	2.0
505.20950	12.7
523.21539	10.3
565.23053	8.9
632.06207	1.5
634.80872	1.6
667.25598	8.6
685.26971	12.0
727.28180	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
73.54388	0.3
81.87265	0.4
85.65978	0.3
87.00866	0.5
107.04995	2.6
109.62693	0.3
129.16432	0.4
133.06549	2.1
149.06073	11.8
155.13158	0.3
177.05553	13.4
179.03487	29.1
194.16989	0.3
195.06630	2.1
221.04550	1.3
232.10039	0.3
239.05606	100.0
317.58664	0.3
531.20874	1.7
541.45685	0.4
549.70642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
159.59491	0.2
205.29657	0.2
280.16925	0.3
342.17044	0.3
360.18170	100.0
421.91678	0.2
637.67474	0.2
692.71051	0.2
726.29620	7.7
726.41730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89742	2.4
59.01364	12.4
72.68954	2.2
73.02929	3.9
87.00847	12.5
101.02432	3.2
113.02423	3.9
134.68402	2.8
142.81172	3.0
148.06955	2.5
149.06050	5.5
154.08723	4.3
164.04787	3.1
165.05554	4.3
184.70090	2.9
219.02802	3.9
258.26477	2.8
285.18692	3.7
293.15228	3.1
294.16058	11.8
308.14050	27.7
319.13269	17.2
320.14029	87.0
338.14914	4.3
344.17657	10.1
352.13165	10.1
388.16678	5.1
394.10721	2.6
399.16437	2.8
414.18094	4.5
435.80472	3.2
440.16034	37.1
727.27863	8.7
771.25122	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	769.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51071	2.1
59.01375	45.3
71.01374	42.3
73.02927	6.6
85.02932	3.7
87.00863	4.2
89.02439	65.4
96.95986	4.3
97.02914	3.1
101.02419	64.4
104.95547	3.0
113.02426	33.6
119.03485	29.9
125.02408	5.7
131.03476	17.2
143.03439	5.8
161.04544	21.0
175.15091	3.0
179.05659	19.5
212.59309	2.9
221.06567	24.0
287.57446	3.0
290.57614	2.9
341.10825	6.7
383.11932	12.6
508.46945	4.1
701.00348	3.6
709.29205	100.0
725.32568	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	769.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	58.5
61.68747	52.9
63.30770	60.4
119.26227	56.4
126.26086	66.9
137.35104	57.1
180.28102	60.3
201.08040	65.8
206.29352	61.5
223.13281	63.7
237.59926	75.1
395.78317	71.9
608.85474	71.6
671.65051	64.7
769.33203	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	767.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44230	0.6
59.01369	1.1
60.99306	12.7
65.60799	0.6
87.00864	15.8
88.00390	5.7
88.01202	1.1
88.98794	100.0
89.02430	42.5
142.98891	0.9
167.13614	0.8
306.07339	0.9
331.82785	0.8
383.38669	0.8
388.09845	0.8
389.82431	0.8
526.63953	0.8
677.50171	6.3
767.52289	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42731	1.6
59.01365	3.0
60.99295	10.2
71.01388	2.5
72.12825	1.9
74.02457	9.8
74.67483	2.0
84.04533	14.3
85.02948	2.7
86.02493	4.3
88.98229	4.1
88.98792	100.0
89.02418	12.0
89.99116	2.9
90.02751	2.0
92.19395	3.9
99.05616	13.4
100.04028	10.1
101.02435	2.5
126.70721	2.0
127.05131	2.2
128.03522	43.5
131.98499	1.9
135.05634	2.4
136.39444	2.0
143.04611	52.5
153.06747	2.3
160.00700	12.3
166.09804	2.2
167.04619	3.5
177.03328	3.6
179.04617	11.0
185.05605	2.8
204.10242	2.0
210.08820	12.4
226.60457	2.1
232.09764	22.0
250.10979	19.2
254.07820	8.1
272.08990	4.8
288.06656	3.8
292.11850	26.5
306.07654	86.2
375.66162	2.0
601.36627	2.4
605.39478	2.2
661.11755	2.2
681.34491	2.2
768.25995	4.3
768.50549	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	769.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07471	2.2
57.03440	14.8
59.90823	2.2
65.65381	2.2
66.04328	2.4
71.01356	2.8
83.01382	3.8
85.02939	100.0
93.16689	2.6
101.02419	4.7
101.52538	2.5
111.00855	30.4
119.05008	4.7
129.01926	41.6
146.08073	2.6
163.03996	4.1
193.04897	3.7
203.84200	3.1
205.03493	36.1
216.65311	2.5
223.04613	36.1
369.08282	29.6
399.09366	40.1
531.20557	2.6
556.73859	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	769.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70399	4.3
58.99145	4.6
60.22381	4.6
65.85741	5.0
151.07626	8.4
153.05571	7.7
153.97777	5.1
165.05551	82.2
167.03484	12.4
179.95575	4.6
182.02185	22.8
183.04469	5.7
195.06580	22.1
197.04536	83.9
213.07646	24.0
233.08823	5.7
286.39575	5.5
300.23154	6.5
346.30103	6.9
393.11844	12.3
555.17279	100.0
557.03784	5.6
601.27429	6.3
783.42749	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	769.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	49.9
71.01375	16.2
73.02959	10.2
73.87128	10.4
85.02917	12.7
101.02434	22.9
113.02435	22.1
131.07112	12.5
176.04790	13.2
203.08359	35.0
245.09410	37.4
265.75339	10.8
298.68484	10.6
326.11594	19.2
329.14044	33.4
341.13770	48.5
357.13403	18.2
358.10657	15.1
373.12857	10.1
438.47424	10.2
457.82803	10.6
458.15680	16.6
470.15759	11.3
473.18170	12.3
491.18750	68.9
503.19290	17.2
533.20483	59.0
545.20197	55.5
563.21460	100.0
738.79095	10.9
769.22839	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46133	0.7
59.01367	1.5
60.02329	0.9
65.55676	1.1
66.27020	0.9
69.57137	0.8
71.01384	0.9
73.02934	1.3
77.34970	0.8
79.02200	0.8
120.43088	0.9
126.22744	1.0
148.05263	1.9
153.09267	0.9
160.05276	3.7
161.06067	1.4
162.03226	2.1
162.06851	2.0
163.04019	3.5
172.05290	21.9
174.03258	1.9
175.07640	12.7
177.05600	0.8
178.06383	4.0
187.07637	67.4
189.05539	1.0
190.06308	11.5
191.07076	3.1
193.05028	6.4
204.07935	2.1
205.08655	22.0
208.07379	3.4
210.05295	1.4
220.07491	0.8
284.10385	1.2
296.10617	1.9
299.12924	8.3
308.10648	1.3
311.12769	8.7
323.12781	7.5
329.13965	14.2
341.13928	16.5
343.11694	1.1
359.15015	100.0
403.14047	1.4
725.26831	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	767.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.3
71.01360	8.0
73.02930	6.5
83.01369	1.1
85.02932	1.4
87.00863	1.4
89.02421	7.9
96.96021	0.9
101.02428	12.1
113.02433	6.1
119.03476	4.1
125.09705	7.6
135.08144	0.9
142.47459	0.7
149.04514	1.0
153.09206	12.7
155.10732	1.5
161.04535	1.4
167.03339	0.8
167.10735	2.6
169.08644	1.0
171.10248	28.8
176.13715	0.6
179.06973	0.8
180.06396	0.7
197.08142	5.0
213.11325	1.0
215.09227	21.3
239.09245	0.8
256.92773	0.8
257.10263	3.6
333.15570	4.0
359.13379	2.8
377.14505	100.0
382.30560	0.7
657.46466	0.7
789.79083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.01372	27.7
71.78902	2.7
72.31381	2.6
73.02934	75.8
75.00867	5.0
83.01382	10.7
85.02939	10.9
89.93444	2.8
97.02923	3.1
99.00796	3.0
101.02446	32.5
113.02409	18.5
125.02411	3.8
143.03456	6.4
143.10754	95.3
157.12320	16.1
161.04532	4.0
185.11778	7.3
192.02473	2.7
197.11855	3.5
203.05672	13.0
324.39874	3.5
331.17615	11.2
332.39996	3.0
416.27963	3.2
456.43414	3.1
723.38489	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	767.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49764	2.5
55.01879	2.4
59.01382	92.5
71.00991	3.3
71.01377	91.2
72.83017	2.6
73.02935	22.0
78.92422	3.0
83.01369	5.1
85.02933	15.9
87.00845	11.1
89.02430	99.5
95.01369	3.9
97.02935	18.4
99.00856	4.1
99.08379	2.9
101.02435	100.0
107.84487	3.7
111.00877	4.7
113.02435	65.1
119.03499	35.9
123.98722	3.1
125.02448	29.7
127.82455	4.1
131.03485	16.8
137.48839	3.0
141.01979	3.6
143.03487	18.2
149.04613	3.1
151.11325	5.2
155.03548	3.8
161.04593	31.7
179.05539	30.8
195.10239	39.2
221.06662	19.6
291.12411	7.3
323.09818	14.9
337.20334	3.2
341.10812	13.5
381.19223	16.4
383.12042	5.7
493.49536	3.3
515.24738	3.4
663.25177	65.1
681.26154	54.2
723.27222	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52273	1.9
55.90242	1.8
59.01370	5.1
71.01392	3.6
89.02422	4.6
101.02421	4.3
107.05007	21.8
113.02455	2.6
134.03702	4.8
135.04515	100.0
165.05554	13.1
166.02701	4.1
180.49440	2.5
181.05060	13.5
202.46771	2.2
339.36545	2.3
466.85455	2.5
583.25977	11.8
601.22034	2.3
719.26831	8.9
749.27618	2.8
767.29321	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81223	2.5
58.16192	2.9
59.01378	100.0
64.54771	2.4
69.03458	4.1
71.01374	44.5
73.02935	66.8
77.14253	2.8
77.95327	2.8
83.01376	5.6
85.02931	6.6
89.02422	17.1
96.95996	3.9
97.02953	4.1
99.00826	3.6
101.02436	57.8
102.02187	3.4
103.08317	3.3
113.02428	24.9
119.03511	4.2
125.02449	33.4
131.03494	13.8
136.01668	23.1
143.03511	6.2
148.29207	2.9
151.03989	53.7
161.04491	14.6
203.05559	3.5
207.18103	3.8
221.06587	16.5
263.07715	17.1
305.08719	11.0
323.09668	4.9
357.13672	5.7
365.10822	51.9
379.07510	3.0
408.59885	2.9
435.30261	3.1
519.41119	2.8
723.30695	4.1
789.11902	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	4.3
59.01380	88.4
66.91061	3.1
68.44625	3.5
69.03429	4.0
71.01372	83.2
73.02942	24.1
76.19131	3.7
83.01348	4.6
85.02941	22.1
87.00863	6.2
89.02431	89.6
96.95997	26.3
97.02967	6.6
99.00868	14.9
101.02440	77.8
111.00851	7.1
113.02440	62.2
119.03512	32.1
125.02408	33.9
131.03503	5.3
143.03499	21.5
147.17134	3.8
161.04523	21.4
179.05550	7.5
195.10248	17.8
198.12425	4.1
203.05702	4.5
221.06731	20.1
323.09839	5.4
361.05823	4.9
663.25208	77.0
681.26117	42.2
723.27252	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	765.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
79.90990	0.6
82.31131	0.5
87.00864	100.0
89.02398	0.6
101.02451	0.6
108.13548	0.6
109.35488	0.5
113.02402	0.6
116.24294	0.5
224.18680	0.6
233.49744	0.5
303.84854	0.5
312.42862	0.6
356.84082	0.6
437.51346	0.6
536.20538	0.7
682.17792	0.7
721.36670	1.1
765.51428	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	766.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
72.76131	2.7
72.83418	3.4
74.02474	15.9
78.13548	2.7
86.02491	3.2
96.96011	2.8
99.05618	13.2
128.03555	35.4
141.06737	3.9
143.04626	67.0
160.00778	12.3
167.55296	3.5
179.04652	4.9
197.05699	3.0
210.08992	5.0
272.08957	5.8
275.80371	3.3
275.83569	2.8
288.06757	4.9
306.07657	100.0
339.48001	3.2
418.11508	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	70.5
62.28997	3.4
65.56943	4.0
66.05712	3.6
71.01371	64.0
73.02941	16.5
85.02936	9.0
87.00871	5.3
89.02426	100.0
101.02426	72.2
113.02435	35.5
119.03455	26.7
119.17364	3.6
123.63380	3.8
125.02425	5.1
131.03491	19.6
143.03497	5.0
143.04579	8.0
156.65221	4.4
159.03084	3.8
161.04564	30.3
179.05615	71.2
221.06691	29.3
244.68675	4.2
263.07672	61.1
265.60193	4.6
286.91666	4.3
294.60748	4.8
300.55020	3.9
306.07669	5.1
326.30664	4.4
366.63712	4.1
375.70108	4.3
395.93860	3.8
427.68466	4.9
504.39102	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	765.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20525	0.8
57.03179	1.4
57.03445	25.3
59.01375	30.9
71.01373	6.8
73.02935	26.2
74.02471	3.7
83.01376	7.1
89.02422	1.7
101.02421	25.5
107.08646	1.9
113.02423	2.1
114.62508	0.9
116.03544	1.1
116.04999	1.0
127.79008	0.9
136.56502	0.9
147.11800	10.8
161.04565	1.3
203.08246	5.8
209.11781	5.9
211.73735	0.9
245.09258	8.9
431.19177	100.0
475.18161	2.0
477.79871	1.1
583.77106	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	765.356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	43.9
59.01641	5.8
71.01382	25.0
82.74976	6.0
89.02431	12.7
95.59669	6.2
96.95977	8.1
98.73518	6.6
101.02411	43.5
109.60281	6.8
113.02450	12.0
119.03490	10.9
125.02380	9.3
161.04510	6.5
181.67943	6.9
217.38646	6.2
221.06580	7.3
275.57333	6.7
280.73950	6.3
326.04703	7.5
349.27182	7.1
612.29932	7.6
705.33289	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	765.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02242	0.7
87.00875	1.3
107.05025	13.0
107.65748	0.8
121.02892	1.5
133.06590	6.6
135.04558	1.3
144.26581	0.8
149.06071	26.0
177.05569	32.4
179.03493	53.7
195.06627	4.5
219.67442	1.0
221.04555	1.9
239.05605	100.0
323.17166	0.9
449.44803	1.1
458.57138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.568
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34014	12.0
97.06561	50.8
103.44028	11.7
163.16827	12.6
181.22844	16.7
211.13315	50.0
229.68887	14.9
255.23085	20.0
291.19595	100.0
295.38828	13.5
521.31128	14.9
537.31604	14.5
770.20642	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	763.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53513	0.7
77.69854	0.6
87.59769	0.7
91.05515	100.0
92.64529	0.7
96.95977	2.8
112.49545	0.6
127.94192	0.7
135.04492	2.7
146.70166	0.6
163.04001	71.3
599.25323	0.7
763.30859	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	763.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77327	1.7
59.01373	2.1
59.98511	3.8
83.30431	2.1
91.54825	2.0
92.19370	2.6
92.68996	2.5
97.02938	33.3
98.03713	12.1
139.87352	3.2
164.82826	2.3
165.05544	8.4
174.24112	2.6
190.06367	3.1
201.10301	14.4
211.07529	2.3
217.13448	13.7
221.08284	2.6
223.07607	2.2
255.06598	57.3
255.15125	3.9
256.15778	10.0
267.06604	35.5
271.18008	4.9
285.07764	4.5
300.14807	81.8
315.17126	100.0
447.12930	37.2
641.74054	2.4
692.39258	2.4
696.31848	3.0
763.30780	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	763.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.9
57.35357	1.2
59.01376	38.9
62.51260	1.3
64.40984	1.3
71.01367	25.0
72.99309	4.9
73.02934	14.2
75.00860	27.2
83.01385	2.5
85.02937	35.0
87.00864	8.2
89.02415	6.4
95.01366	5.7
97.02953	1.2
99.00861	13.3
101.02425	11.6
103.00390	1.7
103.86184	1.4
107.76235	1.3
111.00798	2.7
113.02428	52.7
115.00304	2.4
117.01989	2.4
125.02426	2.1
141.09180	2.3
236.09712	2.1
276.89078	1.3
339.25235	2.8
343.01306	1.2
360.47864	1.5
446.79095	1.5
678.77917	1.5
719.34955	100.0
763.33197	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	763.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50882	0.7
65.18176	0.5
78.95864	0.9
79.95729	1.4
84.30143	0.8
96.95996	100.0
96.96982	3.7
124.96234	0.7
135.04480	1.5
161.02438	17.3
171.76050	0.7
179.03499	6.1
503.14053	5.8
665.19537	6.6
763.17047	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	763.196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38622	1.7
56.98373	2.1
61.03221	1.8
61.90015	2.2
63.69379	2.0
68.46261	2.4
78.95907	17.6
86.28932	2.1
96.96007	3.5
96.96957	29.0
116.27872	2.4
120.90982	2.3
134.22653	3.0
135.04510	24.8
161.02423	91.5
161.71916	2.0
162.26550	2.6
179.03484	89.0
189.78027	2.1
203.21161	2.1
204.29137	2.1
259.02243	16.5
323.08173	2.6
341.08807	73.2
503.14142	100.0
595.95605	2.6
644.60492	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	763.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	4.1
59.01377	15.2
61.14800	0.5
70.02972	6.3
70.55735	0.6
71.01363	1.5
72.04523	1.2
73.02939	2.2
74.02461	31.8
85.02937	1.0
89.02424	0.9
90.77736	0.7
98.02449	6.6
101.02416	3.2
113.02453	1.3
116.03516	20.1
116.05010	6.6
119.03398	0.6
123.08141	0.8
130.06638	0.7
159.09244	1.5
186.05624	0.9
189.12970	1.0
201.10339	5.0
203.08257	67.6
207.14029	0.8
223.06036	0.7
245.09297	100.0
246.09570	2.3
269.74933	0.6
289.08319	5.1
306.11942	0.8
429.21387	9.9
616.46027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97090	0.6
55.74886	0.6
59.01368	1.6
92.19835	1.1
119.53221	0.7
130.06635	0.8
156.08173	10.7
158.06082	1.7
172.07660	25.1
174.05527	1.4
200.07159	26.0
202.05093	56.1
203.05367	0.8
218.08202	3.5
244.06151	2.7
262.07181	100.0
263.07541	0.9
402.29797	0.8
709.26172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.4
66.32320	2.8
71.01377	3.8
72.21137	2.3
100.92157	2.4
121.02932	2.5
135.04489	2.8
141.09227	4.1
158.61317	2.4
165.05530	10.3
171.55582	2.7
179.07079	3.0
218.73051	2.6
239.68352	2.5
259.09717	6.2
271.09775	79.5
283.09634	19.5
285.11334	3.8
289.10718	3.0
301.10873	36.2
313.10840	26.3
325.10855	10.6
343.11835	21.9
345.13480	14.1
357.13379	20.9
375.14493	100.0
405.59381	2.8
416.97946	2.7
537.19830	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13424	0.7
54.26575	0.6
56.37178	0.6
58.39808	0.7
65.01482	0.8
68.93745	0.7
79.95749	1.8
96.95994	100.0
135.04539	0.8
137.02405	1.3
161.02426	9.9
179.03520	4.2
194.01361	0.8
503.13983	4.5
552.04797	0.7
665.19202	3.7
763.15894	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	761.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00919	5.0
59.01372	40.9
61.28991	4.4
67.75800	5.4
70.58495	5.0
71.01345	34.4
71.13517	4.3
73.02915	7.5
78.79864	4.4
79.57758	5.0
85.02918	6.3
89.02423	39.3
96.96008	21.0
101.02436	27.2
112.56223	4.6
113.02429	44.4
119.03519	5.9
131.03537	8.9
143.03490	5.4
144.56213	4.7
161.04518	23.0
179.05586	6.4
190.31693	5.6
211.80118	5.1
221.06665	26.6
321.20682	30.6
351.21716	11.5
510.25031	5.3
635.05383	5.8
717.33405	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	762.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52866	0.6
54.37982	0.6
54.49969	0.5
61.98828	100.0
63.56641	0.8
96.18649	0.8
126.15377	0.7
148.80879	0.7
156.33255	0.8
237.65323	0.7
386.32214	0.7
440.35587	0.7
642.66663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.6
71.01389	0.7
78.07796	0.5
78.56094	0.6
79.18609	0.5
82.55674	0.5
84.35180	0.6
85.02951	1.1
85.62875	0.5
87.00877	1.0
89.02419	0.6
101.02427	0.7
107.05003	1.1
116.05111	0.7
130.06590	0.6
146.06099	3.0
156.08183	10.3
158.06102	3.4
169.55382	0.6
172.07661	24.6
172.09149	0.9
174.05598	3.2
183.46619	0.7
200.07156	24.5
201.57190	0.8
202.05099	53.7
202.80106	0.6
218.08228	5.1
244.06123	2.9
262.07184	100.0
263.07535	1.1
362.54596	0.6
422.24313	0.7
437.29041	0.7
618.26703	0.7
632.25708	0.6
718.33478	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	761.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34396	2.5
54.41659	2.7
59.01379	100.0
71.01366	20.4
85.02919	6.0
87.74721	3.2
101.02456	6.4
113.02436	5.8
116.66054	3.0
119.47842	3.4
161.04591	4.0
168.87083	3.8
182.18085	3.2
237.46275	4.3
263.17953	3.6
295.06436	4.6
331.17566	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	761.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66817	0.6
56.22913	0.6
57.87209	0.6
59.01378	100.0
69.03429	0.6
71.01372	14.2
73.02937	30.4
83.01376	5.3
85.02915	5.4
89.02432	8.7
92.87111	0.8
95.01358	1.2
99.00880	1.0
101.02428	34.4
113.02439	17.7
119.03487	3.2
119.04986	4.5
125.02434	0.9
126.42087	0.7
131.03468	1.7
143.03479	3.0
149.04507	4.3
161.04538	15.0
163.04047	4.8
163.05170	0.7
221.06677	10.0
234.52560	0.7
277.12949	1.7
305.16068	4.4
319.13971	10.4
325.09375	1.3
347.10538	0.8
347.17093	28.0
373.18677	6.3
391.19818	7.2
480.09174	0.7
547.82574	0.9
717.32098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20443	1.3
58.27740	1.5
58.36795	1.3
59.01087	2.5
59.01381	36.8
71.01370	20.8
72.99286	3.0
73.02943	6.8
75.00864	30.8
78.01436	1.7
83.01384	1.8
84.94961	1.7
85.02931	31.4
86.92125	1.7
87.00854	9.9
89.02427	6.3
95.01370	3.4
96.89749	1.6
96.95973	2.6
99.00853	12.7
101.02429	11.2
113.02447	44.0
115.00349	3.6
116.92821	2.2
117.01945	1.7
121.67152	1.9
123.04468	2.2
134.03723	2.8
146.03726	2.8
149.02409	2.3
149.06053	7.5
150.03221	29.8
151.03969	23.1
161.02440	8.0
161.04526	2.4
161.06055	3.0
164.04819	4.0
165.05547	69.0
179.07121	16.6
180.04224	4.0
181.05124	2.3
195.06560	6.9
205.94820	1.6
299.09143	3.0
311.09149	1.8
313.10797	3.9
314.11670	3.2
325.06943	1.8
325.10736	2.7
326.11746	2.8
327.12381	2.4
341.10287	9.5
355.08124	13.6
356.09143	6.5
358.10596	28.8
361.99728	1.7
369.09778	2.7
370.10535	32.2
371.11346	6.7
372.12091	2.3
373.12909	34.3
382.95859	1.8
383.10983	2.1
385.12891	12.3
521.18311	2.6
599.21417	60.8
717.33405	100.0
738.85052	2.0
761.26385	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26204	1.8
58.02968	2.9
59.01377	30.5
69.33710	2.0
70.02970	9.6
71.01361	9.5
73.02934	10.0
74.02460	35.8
89.02446	2.5
92.19937	2.4
98.02444	4.9
101.02425	9.0
113.02448	3.4
116.03510	21.8
116.05041	4.2
116.62760	2.1
119.50655	2.0
151.07623	5.1
152.08412	13.7
153.09210	49.6
163.86438	2.1
186.05560	2.2
201.10382	7.4
203.08266	67.9
205.12268	11.4
210.42210	2.3
223.13432	5.2
245.09322	100.0
289.08215	3.7
367.17801	7.9
398.22433	2.4
427.14319	4.2
427.19736	69.3
516.78473	2.3
532.54694	2.3
624.09222	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	761.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93507	0.9
55.40432	0.7
58.02981	5.1
59.01378	24.6
64.52196	1.0
70.02971	9.1
71.01361	6.2
72.04552	1.7
73.02936	12.6
74.02462	38.7
81.51199	1.0
83.01384	1.5
83.05032	1.2
98.02447	7.4
101.02434	10.1
113.02406	2.3
116.03509	21.5
116.05053	9.3
142.06598	2.2
143.03487	1.1
153.09203	5.8
161.04597	2.3
165.09265	1.0
201.10345	6.6
203.08258	72.9
205.12360	1.8
221.06593	4.8
223.13330	10.8
245.09294	100.0
265.14352	1.6
265.68338	1.1
289.08252	5.4
427.19751	8.2
508.80862	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	761.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32867	0.5
54.48711	0.5
58.02969	3.6
59.01376	21.5
69.92555	0.6
70.02966	7.6
71.01373	7.3
72.04536	1.4
73.02931	15.3
74.02462	38.0
75.24061	0.5
83.01380	3.4
85.02954	2.4
89.02426	2.6
98.02468	6.7
99.00838	0.7
101.02429	10.5
113.02427	6.0
116.03519	18.8
116.05037	7.1
119.03460	1.1
130.06564	0.8
137.09700	5.5
142.06628	0.7
149.04568	1.2
153.09172	1.1
159.09271	3.2
161.04584	4.9
161.14737	0.5
201.10258	5.7
203.08250	75.0
205.12294	6.9
221.06628	3.4
243.12352	0.6
245.09291	100.0
267.28616	0.6
289.08194	4.9
427.19730	6.4
552.17468	0.7
678.16650	0.6
717.32990	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	760.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83223	1.3
58.02971	55.8
59.01374	2.2
75.60397	1.4
95.53899	1.5
164.07164	51.4
189.26173	1.3
204.57030	1.5
206.08214	100.0
250.07133	8.3
292.21262	1.8
370.17743	1.7
773.56500	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	761.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	3.1
59.01379	41.5
59.27076	1.7
71.01363	19.1
72.99325	2.7
73.02939	10.0
75.00854	30.6
83.01399	3.7
85.02939	30.7
87.00857	10.9
89.02423	4.7
95.01338	2.2
96.96024	2.1
99.00869	8.8
101.02425	9.3
102.98720	2.2
104.98355	2.4
111.00886	2.7
111.94173	2.0
113.02431	53.6
146.03732	2.3
149.06091	3.1
150.03207	21.6
151.03981	15.2
156.08267	2.1
160.05130	2.6
161.02454	3.6
164.04852	2.7
165.05542	54.9
179.07111	10.1
180.04213	3.1
195.06624	10.1
202.05057	2.3
203.08205	2.5
239.38208	2.3
245.09445	2.4
262.07187	4.1
263.07520	3.5
340.09744	2.7
341.10376	4.2
355.08136	8.9
356.09082	4.2
357.10089	2.1
358.10599	33.3
370.10516	26.8
371.11322	4.0
373.12888	33.1
385.12921	4.3
479.20911	3.4
509.21887	3.7
521.18292	2.4
539.22784	13.4
599.21362	41.3
717.33423	100.0
761.25958	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40994	1.8
59.01372	4.0
64.39011	1.5
71.01369	2.7
75.00849	2.2
75.83445	1.5
76.51922	1.7
81.70498	1.6
86.73576	1.9
87.00836	1.7
106.42172	1.5
113.02402	2.5
122.03896	1.9
146.03636	2.9
149.05997	2.6
150.03200	37.6
151.03964	14.7
161.02393	3.3
161.06007	2.0
164.04744	6.2
165.05551	100.0
179.07108	19.0
180.04277	3.2
181.04999	3.7
195.06599	23.3
298.08160	2.0
299.09134	3.1
311.09070	2.1
313.10822	3.3
314.11899	2.4
325.10599	3.2
326.11411	2.7
339.08783	2.3
341.03568	2.0
341.10245	11.1
343.08185	2.5
355.08121	11.1
356.08951	3.7
358.10632	32.2
370.10568	34.6
371.11453	2.3
372.12274	2.5
373.12888	31.0
385.12781	7.9
599.21320	34.3
717.33856	4.2
761.26459	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18109	2.9
54.15804	3.7
59.01382	47.0
63.38023	3.7
70.09101	3.2
71.01376	29.5
73.02941	6.2
74.57491	3.5
75.00859	20.0
84.31599	3.6
85.02946	26.2
87.00881	4.6
89.02415	4.5
95.01406	4.3
99.00838	7.0
101.02428	20.8
113.02437	39.5
123.04478	4.8
146.03732	5.8
149.06050	5.4
150.03200	42.4
151.04010	29.6
152.71396	3.6
161.02400	6.2
161.04491	4.9
161.06076	5.3
165.05560	93.7
179.07108	16.5
180.04279	4.9
181.05008	4.8
195.06558	14.7
263.07596	4.6
313.10748	8.3
327.36005	4.2
341.10330	16.5
355.08191	20.5
356.09018	16.2
358.10617	46.5
370.10629	58.6
371.11624	10.8
373.12943	48.7
382.30475	4.3
385.12787	8.4
521.18457	5.3
599.21362	100.0
717.33398	93.3
761.26245	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71730	0.9
59.01374	100.0
60.35852	1.0
63.70718	0.9
71.01369	15.6
73.02940	4.5
85.02947	6.4
89.02415	4.8
94.66856	1.1
100.44637	1.2
101.02435	19.7
113.02428	9.9
139.89626	1.2
153.66141	1.0
159.02951	1.5
161.04517	10.3
165.05615	1.2
170.00656	1.1
219.78943	1.1
235.11850	30.6
255.05083	1.7
277.12933	33.0
305.16080	1.5
393.21503	1.5
437.20197	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	759.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79236	1.5
59.01372	22.5
65.11787	1.6
69.61149	1.6
71.01377	24.8
73.02934	9.5
77.70390	1.9
85.02947	9.6
87.00864	8.2
89.02436	14.1
92.19340	3.7
96.95963	4.0
99.00880	2.0
101.02444	21.9
113.02425	12.9
116.92890	2.3
119.03525	4.5
131.03503	14.3
136.55032	1.8
143.03552	2.4
161.04532	19.3
179.05463	2.3
210.60478	1.8
221.06627	8.8
221.76134	1.8
234.19180	1.9
287.20200	11.7
331.19153	17.7
335.22156	2.2
372.08371	1.8
453.95422	2.2
476.23456	2.1
649.73615	2.3
715.31873	100.0
759.32196	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	781.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	90.9
61.35489	3.7
71.01368	92.8
73.02930	26.4
83.01375	6.8
85.02932	25.3
86.89475	3.5
87.00856	18.0
89.02432	100.0
89.02972	4.8
95.01383	4.8
97.02930	14.9
99.00851	7.1
101.02428	84.2
106.70336	4.0
111.00857	4.3
112.01629	5.4
113.02437	59.6
119.03475	33.8
125.02409	24.9
131.03503	17.0
133.03772	3.1
137.21153	3.5
143.03477	18.4
161.04573	34.1
179.05624	14.1
221.06679	14.7
245.06548	4.5
247.11005	4.6
249.12468	35.4
253.87845	3.4
311.54276	4.1
323.09857	12.9
341.10971	4.4
383.11993	5.3
406.61646	3.6
677.30414	80.6
695.31049	34.5
737.32434	91.0
781.33704	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	781.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07212	18.5
64.53075	24.1
78.52413	18.6
84.80517	18.4
93.92556	24.2
111.71230	22.7
112.50340	19.4
133.08116	20.1
138.27953	22.0
140.67697	19.3
207.10283	25.5
225.11333	100.0
259.27573	20.8
277.21677	33.3
721.41248	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	781.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96821	62.0
84.13838	50.4
85.53057	52.4
100.84176	57.1
120.50158	59.1
126.02151	60.3
131.59866	52.6
142.07813	51.0
277.21719	100.0
296.90204	55.8
601.63751	69.7
624.03381	59.8
655.03149	67.1
669.83484	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.9
59.01379	28.3
60.54186	1.7
71.01371	24.0
72.99307	20.8
73.02934	9.6
75.00864	24.8
83.01368	2.6
85.02940	34.7
87.00868	2.2
89.02444	12.2
95.01344	3.0
97.02900	3.7
99.00871	3.8
101.02428	11.8
103.00344	14.1
112.94511	2.0
113.02438	54.6
117.01931	2.4
129.20570	1.9
130.22092	2.2
131.03479	8.3
145.02994	2.9
175.02457	7.3
193.03505	18.6
203.23331	2.0
225.10585	2.0
235.04559	28.7
311.09290	15.4
326.11649	15.1
349.09418	3.5
379.08881	3.9
397.09897	11.0
508.59967	2.3
600.76849	2.1
739.24542	100.0
739.37775	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	783.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
74.14618	0.4
77.37615	0.4
77.96350	0.4
78.95897	6.9
79.95738	2.0
80.33422	0.4
91.83978	0.4
92.52106	0.4
96.95995	100.0
96.96915	13.8
117.17831	0.5
128.42464	0.5
154.77943	0.6
305.26804	0.5
416.75546	0.5
595.95325	0.5
712.15717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84783	1.1
61.98360	1.3
65.17921	1.0
82.14548	1.3
114.46096	1.2
116.40992	1.2
120.17613	1.3
133.02893	1.6
135.04523	23.6
161.02428	78.6
161.04507	2.2
166.02103	1.3
179.03499	100.0
211.47987	1.4
235.10995	1.5
253.16194	1.4
281.15921	1.4
341.08804	56.1
379.95810	1.4
384.42221	1.4
396.96405	1.6
503.14075	96.4
690.57587	1.4
721.85120	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	783.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53602	1.8
63.80934	1.9
65.83987	2.2
68.73054	1.8
135.04544	20.2
136.68765	2.3
161.02441	91.8
179.03508	43.8
179.05109	3.4
297.55728	2.2
323.07837	2.7
341.08795	62.9
392.97284	2.3
503.14120	100.0
503.21756	3.3
679.08594	2.8
704.94165	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	783.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53474	3.3
59.01381	100.0
68.64594	3.9
69.03422	4.3
69.25288	3.5
71.01369	42.6
73.02936	73.3
83.01392	20.7
85.02929	4.8
89.02440	15.0
96.95985	4.7
97.02928	5.6
101.02435	53.0
113.02428	23.4
119.03492	4.9
125.02406	25.3
125.33115	3.9
129.83551	4.1
131.03471	5.7
133.35936	4.1
139.03984	4.3
149.04480	5.1
161.04524	15.5
166.02675	42.1
181.05067	81.4
203.65486	3.5
205.88547	4.2
221.06593	6.7
223.53470	4.4
261.63022	4.2
263.07660	9.7
305.08899	5.4
323.09760	16.0
365.10818	46.7
387.10742	18.7
417.15695	21.7
650.33185	4.8
693.94952	4.7
783.27289	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	783.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.5
69.03431	1.9
71.01374	30.7
73.02919	13.4
75.06332	1.4
83.01411	2.6
85.02940	11.0
85.10988	1.5
86.23923	1.5
87.00854	6.6
89.02443	23.2
92.19362	1.8
95.01393	3.3
97.02940	3.1
99.00896	5.4
101.02421	33.6
111.00903	1.9
113.02444	20.3
119.03493	12.7
125.02413	8.8
127.85386	1.7
131.03465	5.9
143.03522	6.2
151.84253	1.5
161.04550	10.1
221.06691	2.7
303.59100	1.6
311.12259	1.5
355.17761	7.1
373.18643	21.6
415.19641	5.8
701.97144	2.1
723.34711	7.1
739.30298	100.0
783.33221	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	783.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92016	0.6
59.01375	100.0
60.47614	0.7
71.01366	10.2
72.29614	0.7
72.30884	0.7
73.02926	14.4
75.79576	0.7
83.01372	3.3
85.02916	1.1
89.02431	10.3
89.30676	0.8
101.02430	13.3
107.87685	0.7
113.02450	7.6
119.03489	3.7
161.04538	4.3
179.05569	4.4
221.06688	1.6
347.17111	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
65.63063	0.5
65.67804	0.5
70.05526	0.7
71.01370	13.5
73.02936	10.4
83.01392	1.2
85.02929	3.0
89.02437	13.4
92.19922	1.2
95.01331	0.9
101.02432	14.7
103.01696	0.6
113.02422	11.3
119.03497	5.6
143.03477	1.6
143.10748	1.3
161.04501	5.5
161.29515	0.7
175.45854	0.6
178.87624	0.7
179.05560	3.9
221.06619	1.1
255.02426	0.7
278.54614	0.8
287.14929	1.3
305.16019	2.6
341.81744	0.7
347.17081	47.4
384.50195	0.8
460.90375	0.9
476.58151	0.7
513.83124	0.7
628.48834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
58.21326	0.5
59.01374	100.0
62.87742	0.5
69.03445	0.8
71.01366	13.8
73.02934	29.4
83.01371	4.0
85.02941	3.9
88.21335	0.6
89.02424	10.3
92.19445	0.6
95.01368	1.0
99.00893	1.1
101.02427	30.7
113.02417	14.5
119.03462	3.7
125.02434	1.0
131.03494	1.3
137.67204	0.5
143.03403	1.4
143.10750	1.3
149.04529	3.6
161.04538	11.4
179.05595	2.7
179.36612	0.6
203.05530	0.8
221.06639	5.3
229.93306	0.7
238.23396	0.6
294.02011	0.9
305.16083	3.0
347.17105	45.5
395.29517	0.6
533.29065	0.6
607.28839	0.6
756.96362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	50.8
71.00987	2.0
71.01373	49.2
73.02943	16.2
73.11707	1.9
75.12955	1.9
83.01353	3.7
85.02927	12.3
87.00861	8.5
87.71304	2.2
89.02431	52.9
95.01356	3.4
96.96043	2.1
97.02897	2.7
99.00881	2.7
101.02425	57.0
111.00893	2.3
113.01754	2.6
113.02422	35.5
119.03489	22.3
125.02419	9.6
131.03473	18.6
143.03427	8.8
161.04547	28.8
179.05574	11.9
193.05046	10.3
221.06670	21.9
263.07846	3.1
282.05130	2.5
340.09573	2.8
343.12073	7.5
355.11795	3.9
536.29541	2.2
573.43927	2.4
723.34247	8.5
739.24512	12.9
783.32947	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	783.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40044	0.6
60.70398	0.7
63.73693	0.6
71.01362	4.4
73.02939	0.9
74.29185	0.8
78.98577	4.2
79.95731	3.1
80.96510	40.8
81.03437	1.2
85.02942	1.2
87.00854	1.7
94.98057	9.7
97.02889	1.5
101.02425	1.7
106.98029	3.3
122.97578	3.4
125.02423	4.5
127.03973	0.8
134.97559	5.1
136.99091	1.7
148.27267	0.8
148.99089	6.9
151.97865	0.8
152.98642	9.7
164.64041	0.8
164.98622	20.1
172.81369	0.8
206.99600	5.4
225.00755	40.6
233.15938	1.0
255.23228	1.4
269.83289	0.8
483.15414	4.7
527.17957	3.0
537.26935	3.4
739.39618	8.3
765.40845	1.1
783.42053	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	784.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87769	2.3
60.36623	2.4
71.01388	4.3
86.97246	2.8
115.00352	14.8
120.45154	2.9
136.04027	100.0
136.05031	4.9
137.02382	4.2
137.21350	2.6
164.07082	2.7
174.00450	2.5
208.06134	12.5
252.05118	15.1
414.10364	52.3
533.66302	2.6
652.98669	2.7
791.73102	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	785.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.7
65.73756	0.9
71.01376	16.4
73.02933	4.8
83.01369	1.5
85.02929	5.8
87.00871	4.3
89.02434	18.6
101.02421	17.4
113.02404	12.1
119.03474	4.4
131.03481	4.8
135.04556	2.0
149.02419	11.0
152.01141	5.1
161.04581	7.7
162.03203	11.1
163.03944	4.4
164.04785	32.2
169.05054	2.5
177.05566	6.1
179.05592	11.7
179.07135	11.9
189.85838	1.0
193.01370	10.1
203.29819	1.5
208.03772	88.7
219.21698	1.1
221.06662	13.0
223.06110	100.0
263.07675	9.0
310.57166	1.1
351.13904	1.2
561.18329	2.7
623.08313	1.3
723.25653	1.4
741.26324	5.8
785.25189	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	785.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.21741	2.6
83.55840	3.3
91.74084	3.3
127.95138	3.4
142.68268	3.7
159.98178	3.2
177.01857	4.2
190.02592	4.1
192.04245	7.2
242.54123	3.3
246.50168	3.5
475.58591	3.3
504.26233	4.0
541.94403	3.3
542.02740	3.3
703.93256	3.3
720.21991	4.3
767.25458	65.3
785.39392	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	785.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
73.02943	0.7
87.00854	0.8
96.36447	0.5
100.83682	0.5
102.65299	0.5
127.20805	0.5
141.12398	0.5
145.02983	0.6
156.08195	4.0
158.06085	0.8
172.07678	16.1
174.05615	1.1
180.82909	0.5
200.07185	17.6
200.08923	1.0
202.05099	38.9
218.08212	4.0
218.95892	0.6
244.06154	2.3
262.07199	100.0
495.71359	0.5
561.16339	0.6
603.51678	0.5
681.23004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.3
66.65382	0.9
71.01356	5.1
73.02924	4.7
79.95446	1.0
82.06619	5.0
82.42339	1.2
85.02934	8.2
88.04003	10.0
89.02456	1.6
89.04365	1.2
89.50558	1.1
91.53275	1.0
101.02415	6.1
113.02434	4.2
114.05586	100.0
115.00336	2.5
126.09232	5.7
129.01942	1.6
132.02991	13.0
133.03455	1.1
138.06862	1.7
139.07678	1.2
145.71985	1.1
151.07600	1.8
152.08415	8.4
152.10765	1.9
153.09193	32.5
153.11046	1.2
154.07454	1.5
154.08723	45.9
178.62578	1.1
194.05849	1.8
205.03531	1.6
205.12256	9.2
223.04601	1.4
223.13379	5.8
225.16061	21.0
227.14009	56.3
269.15051	38.2
312.10962	11.1
313.11081	6.6
313.14066	29.8
367.17554	5.6
369.08234	4.3
391.46310	1.2
427.19720	44.2
714.28271	1.2
721.45508	1.1
760.66498	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	785.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95306	1.2
61.36996	1.0
63.81596	1.1
71.15790	1.2
73.26701	1.2
92.19460	1.6
93.03447	6.9
107.01385	6.4
119.05005	17.7
133.69392	1.4
151.00362	56.4
165.01990	1.2
169.01318	1.9
177.01881	5.5
193.05759	1.3
213.26956	1.4
235.12984	1.5
271.06122	100.0
271.15472	1.6
635.83301	1.5
651.29810	1.2
677.66779	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	786.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75676	0.6
59.01383	4.4
61.40052	0.6
85.02912	0.7
90.60356	0.6
101.02427	0.8
126.78853	0.6
214.68344	0.7
294.56226	0.6
314.17685	15.8
358.16605	100.0
375.26852	0.7
376.17584	7.4
376.27597	0.9
385.66876	0.6
452.53821	0.7
694.42749	0.7
742.29102	13.2
742.40100	1.8
786.27026	0.6
786.43152	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	787.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
59.79343	0.4
68.84690	0.4
71.01374	3.8
73.02962	0.6
77.55939	0.6
79.33265	0.6
85.02934	1.0
89.02425	2.9
93.03439	19.6
95.47795	0.4
101.02426	2.9
106.90614	0.4
113.02415	2.0
116.54175	0.5
119.03603	0.7
119.05001	24.5
131.03441	0.6
137.02429	100.0
149.93532	0.5
153.27205	0.4
161.04514	1.0
163.03999	11.0
179.03447	0.6
239.05620	0.7
299.07721	29.9
337.68341	0.5
347.56332	0.5
416.31088	0.5
448.70349	0.5
487.14502	16.3
501.89426	0.6
549.63684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42381	0.8
59.01371	1.7
59.09116	0.6
70.99049	0.7
71.01379	3.0
73.02927	0.9
89.02413	0.8
96.22095	0.7
99.56085	0.7
101.02465	1.7
101.23478	0.7
105.44655	0.8
108.02161	17.8
109.42786	0.7
113.02453	1.7
119.03444	0.9
123.04504	16.1
152.01144	54.2
167.03479	100.0
209.08072	0.8
383.77686	1.1
587.77631	0.8
736.57629	0.9
743.24023	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.8
59.39026	1.5
60.92721	1.8
61.52892	1.4
63.23805	1.5
71.01370	2.7
71.09891	1.5
85.02921	1.7
89.02419	1.9
96.96016	1.9
101.02459	2.2
108.65894	2.0
113.02436	3.5
123.00813	1.7
123.04422	1.9
128.52289	1.6
138.03197	14.2
153.05608	11.7
166.99835	7.6
167.70796	1.7
179.07111	2.2
182.02203	94.7
197.04561	100.0
256.72580	2.0
371.16180	1.7
424.69385	1.8
636.51160	1.8
649.03229	1.8
743.24017	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63842	1.6
57.02390	1.9
57.56506	1.9
59.01379	18.9
60.27079	1.7
62.71484	2.0
63.13956	1.8
64.33483	1.7
71.01370	8.0
72.81114	2.1
73.02950	3.6
85.02946	9.1
89.02427	2.0
92.25008	2.1
99.00851	2.3
101.02434	4.5
113.02433	3.7
133.02893	7.2
138.69478	1.9
149.02409	4.4
149.06058	2.3
150.03212	18.7
162.03339	1.9
164.04733	4.1
165.05551	39.7
180.04234	3.1
181.08708	2.9
187.53734	2.0
188.53560	2.0
195.06563	7.4
325.12778	3.7
329.13950	23.7
343.13760	3.4
473.18112	17.2
491.19073	18.4
533.20215	3.6
539.21344	10.9
548.66486	2.1
581.22430	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	787.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.0
66.62334	0.8
71.01373	6.8
73.02953	1.7
73.59467	0.9
83.01369	1.5
85.02931	4.9
87.00819	1.2
89.65931	0.9
92.19371	1.5
96.96003	2.0
101.02433	6.4
102.98611	1.0
113.02441	4.3
119.05007	6.0
130.26814	1.1
133.02898	4.1
149.02362	2.4
149.06097	2.3
150.02016	1.3
150.03195	29.7
163.04013	1.9
164.04767	4.5
165.05547	100.0
180.04243	4.0
181.08699	5.8
195.06610	25.2
314.11530	1.5
325.12888	4.3
329.13965	10.6
332.77649	1.1
343.13986	5.7
367.10147	1.3
419.56754	1.0
473.18347	10.5
491.19290	15.0
521.20233	1.3
533.20135	6.9
539.21344	14.3
581.22455	74.3
790.25861	1.3
812.83588	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	787.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
70.99156	2.1
101.92117	2.5
157.37260	2.2
172.86057	2.2
192.04454	2.6
196.11670	2.2
240.27545	2.4
267.08844	21.9
322.67560	2.3
331.97391	2.4
476.12875	2.5
505.65771	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	787.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
71.58124	4.7
74.81672	4.6
122.31690	5.0
128.51353	4.3
152.88463	5.4
153.01837	4.8
172.19286	4.6
205.41081	5.7
243.83549	5.0
405.70029	5.8
489.38074	5.6
501.17548	7.2
769.27393	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	787.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72795	2.2
59.01377	100.0
60.23738	2.3
66.01396	2.3
82.46425	2.7
82.54125	2.5
90.68832	2.9
90.88567	3.0
136.76801	2.7
153.78822	2.7
160.79077	2.8
204.07959	2.8
251.43784	2.9
267.08658	22.5
411.11096	4.2
441.15302	11.2
501.17786	15.7
609.43420	3.9
697.24933	3.2
709.24854	3.7
769.27197	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	787.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02955	0.9
59.01086	1.2
59.01379	32.1
59.43129	0.7
68.69387	0.6
71.01376	12.0
73.02937	17.6
74.02464	3.6
83.01369	3.8
85.02953	3.9
88.27722	0.8
89.02435	8.1
97.48901	0.8
101.02425	17.9
113.02437	10.6
116.03500	4.1
116.04951	0.9
119.03480	4.0
143.03513	1.8
149.04529	5.0
158.82117	0.9
160.29149	0.8
161.04517	8.7
161.15063	0.9
165.58607	0.8
179.05589	10.1
181.05043	30.5
196.07405	100.0
203.08206	6.2
209.08206	3.6
211.09749	73.6
221.06694	5.8
223.06009	1.7
238.08469	4.1
245.09296	11.6
253.10725	2.0
298.38535	0.9
317.22253	1.0
349.18570	3.0
356.11081	1.3
371.13095	1.6
404.77170	0.8
497.24084	1.3
522.92377	0.8
565.22943	16.2
583.23883	4.2
625.24957	26.3
740.71875	0.9
743.26575	3.4
756.01868	0.9
787.24756	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	787.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
63.11924	1.0
66.13369	0.8
71.01369	14.0
73.02934	5.0
83.01373	1.2
84.03957	0.9
85.02946	7.0
89.02457	1.4
99.00882	1.5
101.02439	17.5
113.02449	10.3
124.07838	0.9
133.22397	0.9
159.58150	1.0
161.04546	6.7
172.21657	0.9
253.09604	1.1
257.29105	1.0
277.16534	15.7
291.18076	2.0
319.17627	28.7
350.44250	1.1
366.54929	1.0
423.22324	7.8
538.01685	1.0
597.79022	1.1
607.38043	1.3
787.44757	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	787.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.57402	1.1
59.01378	41.1
61.35270	1.1
62.43428	1.3
71.01369	33.6
73.02946	11.3
83.01389	2.9
85.02945	11.7
87.00847	1.7
89.02425	20.5
95.01350	1.7
99.00893	5.3
101.02425	34.8
113.02440	22.6
119.03470	10.0
125.02423	6.3
131.03452	1.5
143.03381	3.7
154.84790	1.5
159.02965	2.1
161.04556	10.9
221.06729	1.6
245.06616	1.6
265.99542	1.4
278.57779	1.4
403.28622	9.5
432.60999	1.3
491.85760	1.5
566.07300	1.4
787.41278	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	788.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
59.79567	1.3
65.14231	1.2
71.01373	8.6
73.12109	1.4
73.28520	2.1
74.43737	1.5
82.04119	9.8
83.88848	1.4
88.07169	1.4
101.02443	2.3
105.99708	1.4
121.95377	1.5
137.79980	1.8
141.09198	100.0
143.29305	1.6
151.62492	1.5
153.78297	1.7
180.24788	1.4
182.11690	2.5
206.87210	1.7
224.14052	95.6
297.07523	1.9
309.07770	3.1
312.10022	6.9
324.06396	1.7
327.12384	5.5
329.94754	1.5
336.06268	2.2
337.07184	19.4
338.07990	5.9
339.08755	5.5
341.06479	2.8
351.70053	1.5
352.09604	12.5
353.06616	16.2
353.10114	3.0
356.08990	13.4
368.08893	10.3
371.11313	35.3
383.11368	55.3
398.68936	1.5
401.12411	23.2
552.92078	1.6
563.17773	19.2
814.24646	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	788.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.2
71.01364	1.9
85.65461	1.1
89.20936	1.1
92.20029	2.0
94.02966	89.7
94.54877	1.0
97.94076	1.1
101.02406	1.6
105.32057	1.3
112.04018	5.7
138.01958	100.0
150.29976	1.1
155.93529	1.1
247.04164	1.1
334.62720	1.2
385.23080	1.2
421.00412	1.3
485.97253	1.5
728.32715	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	789.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.2
71.01375	4.3
71.21942	0.9
73.02917	6.6
83.01373	1.2
85.02882	1.2
87.00883	1.0
89.02439	6.5
96.95942	0.9
99.88484	0.9
101.02431	8.3
104.68933	0.9
108.27141	0.9
113.02415	4.1
116.48412	0.9
118.05424	0.8
119.03555	2.9
119.05003	100.0
125.09673	6.8
135.08153	1.2
153.09207	10.2
155.10710	0.9
163.03998	36.8
167.10822	1.4
169.08679	1.2
171.10248	23.1
185.61615	0.8
197.08202	8.7
215.09256	19.6
257.10400	3.1
333.15414	3.2
359.13452	1.0
367.10318	28.8
377.14536	77.1
591.33337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33049	0.7
59.01372	1.1
73.39748	0.6
82.75339	0.7
92.19411	1.0
95.50936	0.9
101.02461	0.8
114.29302	0.6
125.32588	0.6
131.29752	0.6
136.01666	6.7
151.03998	43.2
163.43993	0.7
166.02661	9.3
181.05061	46.4
205.08598	1.0
297.07672	1.6
312.10065	19.4
327.12393	100.0
345.13477	2.9
357.09885	4.1
372.12112	12.6
375.14554	13.9
387.14551	22.4
405.15561	38.1
537.20032	1.2
567.20862	52.5
721.12311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85859	6.7
59.01382	94.4
63.32270	6.8
71.01374	92.6
73.02932	11.0
77.87482	7.9
83.01366	8.4
85.02946	19.6
87.00869	9.6
89.02443	84.0
92.47170	7.2
95.16738	7.1
99.00828	10.4
101.02421	100.0
113.02454	81.0
119.03500	10.5
125.02425	32.0
143.03502	11.1
161.04555	16.6
179.05586	12.2
221.06551	9.0
243.99591	8.6
261.11032	7.8
337.22076	12.1
339.38687	9.4
578.00543	9.3
685.27417	88.5
703.28955	68.5
745.29474	71.9
776.14758	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	789.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.5
59.01384	32.3
65.75980	3.4
71.01382	26.6
73.02933	3.9
75.00874	31.3
83.01381	4.2
85.02930	22.0
85.72576	3.4
89.02423	6.7
99.00880	4.5
101.02443	13.6
113.02448	49.7
115.00294	5.4
151.15236	4.0
161.04655	3.4
461.22784	3.8
745.29315	100.0
769.58215	3.9
789.25964	25.9
789.39709	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	790.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02986	8.8
63.64643	1.0
66.33546	1.2
70.02962	7.8
87.29188	1.4
90.08324	1.3
91.05527	7.0
96.95978	3.0
120.01323	1.2
132.09801	1.4
147.04510	19.9
164.07169	87.2
167.03464	6.1
187.80392	1.2
206.08226	100.0
214.79622	1.2
233.18364	1.3
248.80011	1.1
250.07173	2.7
319.20865	1.3
330.26752	1.4
421.98215	1.5
539.17548	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	790.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	3.7
65.04353	1.6
71.01376	8.0
89.02434	3.4
101.02420	6.7
151.04109	2.0
161.02480	3.7
161.04489	2.0
176.80910	1.9
213.05496	1.7
214.84084	1.5
258.64700	1.5
267.02969	1.6
299.09256	3.0
313.10797	2.2
325.10745	2.0
326.11411	3.2
341.10281	18.2
343.08340	2.5
355.08179	9.6
358.10626	45.4
370.10599	66.4
373.12921	100.0
385.12851	28.3
403.13898	21.3
456.37875	1.8
559.87689	1.7
565.19299	90.2
595.20831	1.7
790.38367	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	790.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28651	1.4
59.01371	1.5
71.07324	1.5
74.51333	1.6
78.16095	1.5
133.05339	3.4
134.06113	18.4
139.08647	2.0
151.07533	2.6
153.06711	3.3
160.04056	2.1
173.70309	1.7
184.10887	2.7
204.11557	1.7
219.13892	2.2
223.14511	12.8
245.12930	3.9
247.14462	45.9
263.12994	2.3
273.12360	3.9
342.14542	35.6
353.96692	1.6
358.21182	11.8
385.20126	10.2
448.28857	1.7
526.30371	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	790.5788
Annotation	CHEBI:86248
Peak:m/z	Relative Intensity
61.20292	0.6
64.49016	0.6
93.39928	0.6
95.05008	2.5
95.07309	0.7
111.58132	0.7
112.07665	18.6
113.06100	6.4
129.10318	12.6
130.07771	1.2
130.08717	27.4
207.15007	8.5
224.17657	8.5
225.16081	37.1
242.18828	1.6
307.41943	0.7
320.23392	5.1
324.53943	0.7
337.26108	7.6
338.24503	11.3
433.31735	3.7
450.34622	5.5
451.32993	4.1
457.18143	0.7
546.40173	1.3
563.42682	1.1
564.41248	1.5
715.31604	0.8
772.56982	1.6
790.58173	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	790.5788
Annotation	CHEBI:86248
Peak:m/z	Relative Intensity
61.20292	0.6
64.49016	0.6
93.39928	0.6
95.05008	2.5
95.07309	0.7
111.58132	0.7
112.07665	18.6
113.06100	6.4
129.10318	12.6
130.07771	1.2
130.08717	27.4
207.15007	8.5
224.17657	8.5
225.16081	37.1
242.18828	1.6
307.41943	0.7
320.23392	5.1
324.53943	0.7
337.26108	7.6
338.24503	11.3
433.31735	3.7
450.34622	5.5
451.32993	4.1
457.18143	0.7
546.40173	1.3
563.42682	1.1
564.41248	1.5
715.31604	0.8
772.56982	1.6
790.58173	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	791.277
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40112	3.6
79.90166	3.1
91.69820	3.4
93.95702	3.3
138.24612	3.3
149.02415	8.3
150.03218	26.2
164.04761	22.6
165.05542	42.1
179.07152	18.2
193.01509	4.1
198.30142	3.7
208.03780	57.6
222.05347	5.2
223.06100	100.0
259.48465	3.6
285.60611	3.2
310.87189	3.5
465.20593	3.9
629.22101	32.5
759.93744	4.0
779.35144	4.1
780.66980	4.0
791.27856	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07883	2.0
60.09046	1.9
77.65834	2.0
78.67992	2.1
92.19434	3.4
149.02415	8.8
150.03206	28.7
151.03992	4.1
152.07391	2.3
164.04810	27.4
165.05554	63.2
179.07085	15.7
180.04314	2.6
195.06613	4.5
208.03764	65.1
222.05272	3.6
223.06102	100.0
225.88588	2.3
237.07899	3.8
273.15018	2.3
290.85318	2.5
304.32126	2.6
496.35956	2.8
581.20258	4.9
629.22913	19.3
791.27991	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51166	2.7
59.01379	71.7
59.15255	2.9
68.62224	2.7
70.83643	2.5
71.01373	66.1
73.02941	18.8
75.78887	2.7
79.18673	2.7
83.01370	4.7
85.02932	20.0
87.00856	5.7
89.02431	66.1
92.20005	5.2
97.02922	6.2
99.00851	6.8
100.69977	3.0
101.02431	64.5
113.02459	33.7
119.03476	23.6
125.02448	11.9
125.46705	3.1
131.03459	6.6
143.03442	4.0
161.04539	16.8
165.05534	15.8
168.84554	3.3
177.12827	6.8
179.05568	3.8
189.12845	31.1
194.43201	3.1
201.12865	20.5
218.05649	4.0
219.13904	100.0
221.06621	4.3
223.14948	3.3
323.09998	12.8
373.12930	5.4
467.13776	4.6
629.22644	5.7
687.28857	64.5
705.29681	65.1
747.30737	80.1
791.27765	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	791.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	97.9
71.01377	92.3
73.02931	29.5
81.03458	4.2
83.01366	13.8
85.02950	39.3
87.00866	9.7
89.02434	78.6
95.01385	9.4
97.02944	18.4
99.00881	14.8
101.02434	99.2
111.00829	9.2
113.02437	64.8
119.03468	27.3
125.02431	29.2
131.03482	9.2
137.02438	2.6
143.03487	12.3
146.39049	2.1
155.03491	2.9
159.02928	3.6
161.04543	24.1
202.49971	2.3
221.06779	3.2
245.06551	5.4
245.19260	2.1
290.61429	2.4
323.09885	15.9
381.23129	2.9
430.75626	2.4
687.32446	94.3
705.33435	74.1
747.34601	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	791.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56391	14.5
59.01378	70.4
71.01373	91.8
73.02917	30.0
82.74212	16.7
89.02433	33.9
101.02426	100.0
110.10258	16.1
113.02371	35.9
114.27321	17.4
119.03462	19.9
121.02938	80.6
166.13097	18.1
209.04514	21.9
307.85196	19.7
687.32092	66.5
705.32703	23.0
747.34326	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	791.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	81.9
59.71455	2.5
60.32629	2.5
60.50742	2.2
62.77664	2.7
64.08557	2.7
69.03452	3.3
70.60775	3.3
71.01370	100.0
73.02937	23.6
83.01378	6.4
85.02499	3.3
85.02948	29.1
87.00865	5.8
89.02431	55.0
95.01391	5.3
97.02948	12.7
99.00865	7.1
101.02432	81.6
111.00854	6.7
113.02447	40.8
119.03482	19.8
125.02432	23.4
131.03473	3.2
143.03506	14.0
161.04546	28.5
221.06821	3.3
245.06619	3.5
263.07706	4.1
291.22748	3.6
316.54709	2.8
323.09930	11.2
352.13467	3.3
521.38525	3.0
550.32813	3.0
687.32306	81.8
705.33508	58.1
747.34265	81.9
751.43219	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	791.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
56.99535	1.5
58.51273	1.5
59.01377	35.1
71.01376	34.4
73.02925	6.5
83.01383	3.2
85.02956	12.6
87.00848	3.1
89.02420	29.0
91.78713	1.7
101.02434	38.0
103.98019	1.5
113.02416	19.0
119.03452	10.4
125.02402	3.6
131.03470	7.8
143.03510	2.2
159.02965	2.2
161.04524	9.6
221.06664	6.9
308.22543	2.2
395.91617	1.8
496.86890	1.8
651.75995	2.2
791.33447	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	791.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	78.3
71.01376	66.1
73.02919	21.3
85.02935	12.1
88.43298	10.8
89.02441	87.3
89.49760	10.3
92.19339	18.9
97.02905	12.5
101.02417	100.0
113.02429	26.0
119.03455	18.9
125.02422	50.4
128.83862	10.5
192.95901	10.1
221.06569	13.3
277.67044	10.7
380.72446	11.6
395.17102	11.9
442.72626	12.1
600.29999	12.7
664.91339	13.8
687.32013	97.3
705.33502	60.0
747.34369	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.0
60.52179	1.7
71.23850	1.6
73.02932	2.2
92.20005	3.0
93.16093	1.8
127.72421	1.8
137.02475	2.4
138.03227	8.5
141.09119	2.3
151.04059	3.2
152.04758	2.8
165.05571	12.3
179.07074	4.1
223.05925	2.9
289.10654	3.5
298.08463	2.8
301.10822	37.5
311.09268	6.9
313.10867	3.0
315.12338	3.1
319.11932	3.4
327.12332	2.2
331.11880	24.2
343.11807	33.3
355.11868	16.1
372.12259	8.4
373.12967	21.7
375.14444	11.1
387.14594	19.6
405.15546	100.0
567.20789	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.576
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60822	0.7
69.21890	0.9
74.88279	1.0
75.97453	1.0
78.95881	1.3
94.72152	1.1
101.40520	1.1
152.72305	0.9
152.99506	1.3
169.12340	8.0
183.13795	1.0
224.06862	2.0
255.23288	39.1
279.23273	18.7
295.22781	1.2
297.24350	100.0
412.91183	1.0
480.30875	23.4
485.33582	1.1
566.25488	1.2
661.98846	0.9
792.57690	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	793.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02928	7.0
92.19933	9.5
113.02499	7.2
118.69168	6.8
141.04146	5.9
146.03749	9.5
149.06096	31.5
150.03206	39.0
151.03986	14.3
152.37614	7.5
156.30487	7.0
161.06189	6.8
164.04752	8.6
165.05540	69.6
174.19020	7.7
179.07141	16.6
209.92796	6.7
224.06837	60.5
225.07652	73.1
239.07016	9.4
239.09235	100.0
339.44937	7.5
381.48660	7.0
470.06543	7.4
631.23798	43.7
793.28833	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84312	1.7
65.02848	2.1
87.89293	2.0
116.92840	100.0
128.69832	2.0
143.41719	2.3
177.79765	2.1
181.06845	2.0
283.90189	2.1
357.04468	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	793.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87170	1.0
73.40320	1.2
99.92575	2.4
102.37225	1.2
116.92841	100.0
136.83507	1.1
198.54182	1.0
200.24571	1.1
361.09012	1.3
770.81934	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	793.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92990	5.1
57.43201	4.4
59.01356	10.3
71.01360	7.5
91.25719	6.0
96.04774	5.1
108.06665	5.8
114.75906	5.5
164.04761	26.0
165.05565	5.3
179.07127	99.4
181.52477	5.3
205.05072	8.2
234.07797	9.3
328.73404	6.4
347.16064	13.9
362.18726	44.7
377.20612	23.2
537.65063	6.0
630.78546	6.8
631.28424	8.3
793.34003	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	793.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	0.7
59.01378	20.3
63.47876	0.3
78.67202	0.4
82.30788	0.4
82.99538	0.4
83.67843	0.4
88.39275	0.4
95.13388	0.4
106.24366	0.4
167.71642	0.4
211.07651	1.0
218.29340	0.4
227.10773	100.0
291.63263	0.5
294.06009	0.4
301.14432	12.7
306.66483	0.4
357.17145	1.6
372.39697	0.5
560.30420	0.5
605.86047	0.5
659.32288	24.7
669.78668	0.6
701.31677	0.5
727.85693	0.5
733.35901	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	794.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27330	0.9
62.12680	1.0
63.71439	1.2
89.72874	1.0
97.16013	1.1
99.98002	1.1
113.02390	1.3
138.03236	1.7
153.05576	10.1
155.28355	1.1
167.44739	1.3
182.02184	18.7
196.03703	2.7
196.48999	1.3
197.04549	100.0
211.06091	10.3
215.59636	1.2
232.65730	1.1
239.05618	6.7
325.57007	1.1
330.30377	1.2
407.13477	7.5
569.18695	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.6153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.16354	1.0
70.51588	1.1
78.34423	1.0
80.14751	1.2
81.71037	1.2
89.49996	1.4
96.20894	1.4
99.99068	1.3
128.14984	1.2
156.43124	1.2
183.13942	6.1
185.11736	1.9
186.62329	1.1
279.23312	14.2
297.24365	100.0
310.02109	1.3
731.02875	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	795.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78302	1.4
86.65771	1.4
92.63117	1.5
96.95975	2.9
107.05032	11.2
121.02872	2.0
133.06575	5.9
149.06113	18.4
177.05577	26.9
179.03484	55.5
194.53729	1.7
195.06670	2.5
239.05600	100.0
269.52957	1.5
737.42749	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	795.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32856	1.8
59.01377	47.1
71.01373	17.1
73.02929	50.0
75.63442	2.1
83.01370	11.9
89.02436	8.8
101.02428	34.7
113.02410	10.0
121.10209	25.3
122.37884	2.2
151.76410	2.3
156.91072	2.3
161.04596	2.7
165.05571	8.3
195.06572	2.7
353.23703	2.4
387.16568	100.0
598.16608	2.6
686.55756	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	795.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02081	2.2
59.01376	86.3
62.68565	2.2
69.03423	2.1
71.01370	85.8
73.02945	27.1
81.03461	3.8
83.01381	3.4
83.79052	2.3
85.02941	24.1
87.00881	15.0
89.02432	100.0
90.86469	2.2
92.17464	2.0
95.01383	3.2
96.95947	2.3
97.02927	8.5
97.38965	2.0
99.00867	13.0
101.01787	4.4
101.02428	99.7
111.00874	2.0
113.02437	66.2
119.03489	37.5
125.02412	17.9
131.03491	25.3
143.03513	13.6
153.09161	9.8
157.53902	2.1
159.02942	4.0
161.04543	42.4
165.09187	9.3
179.05621	54.0
203.05513	2.6
205.12340	22.8
221.06673	31.6
222.69867	2.1
238.17009	2.2
275.45050	2.1
323.09814	9.1
341.10898	27.5
365.10959	3.7
383.11951	47.0
425.13406	3.1
507.07254	2.3
673.26886	17.9
691.28204	26.5
733.29376	51.7
780.22980	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	795.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	70.6
71.01369	73.3
73.02941	20.2
83.01381	3.6
84.73858	1.9
85.02942	17.2
87.00858	16.0
89.02429	100.0
95.01385	3.0
97.02937	7.9
99.00851	3.6
101.02428	83.8
111.00848	2.3
113.02435	54.1
119.03484	39.3
125.02400	18.2
131.03473	21.4
137.02437	7.5
143.03447	17.6
146.19229	2.1
146.60777	1.9
161.04515	36.1
179.05626	28.2
205.12312	3.8
221.06625	27.4
245.06538	2.9
323.09854	11.6
341.10760	13.1
346.82654	2.2
369.46268	2.3
375.82156	2.2
383.11948	20.2
470.13431	2.0
547.48724	2.0
691.28235	37.6
709.29291	30.6
727.47803	2.8
751.30255	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55177	1.8
59.01371	3.6
59.50469	1.7
64.58162	1.7
82.02924	2.3
85.02942	2.4
88.85737	1.9
88.97768	2.4
99.05565	2.3
101.02452	2.8
101.92284	2.0
111.31549	2.1
150.05603	9.2
164.70078	2.7
174.04330	9.5
190.07460	3.2
222.12560	2.0
226.08656	2.5
231.07391	2.2
232.08456	22.0
233.09399	3.0
242.13696	2.4
244.08284	4.4
245.09270	3.6
271.14569	3.6
286.09558	4.2
289.92953	2.6
312.10077	14.9
313.10822	3.6
327.12277	14.0
353.09766	2.5
354.18344	3.2
525.20496	9.9
529.19696	8.3
541.20227	16.5
543.21552	5.2
544.21899	5.1
615.24329	2.7
632.24524	10.5
633.24988	8.7
734.88605	2.2
795.30255	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	795.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
63.81236	1.0
69.92617	1.1
82.02959	1.6
113.15594	1.0
123.04567	1.3
135.04497	4.2
148.04062	5.1
149.04773	5.2
150.05583	16.1
154.05028	1.6
161.04753	2.4
164.03526	2.2
164.07140	1.8
170.55963	1.2
174.04343	16.0
175.05127	6.5
175.06432	2.1
177.05502	1.7
187.06310	1.1
189.06615	4.6
190.07468	9.0
193.04895	1.2
201.07957	1.5
203.05815	1.3
203.08464	1.2
214.11124	1.6
215.08272	1.7
216.06679	1.8
217.09618	1.3
228.06499	1.6
231.07718	5.6
232.08516	48.2
233.09277	14.6
242.08098	1.7
242.10550	1.2
243.07619	1.4
244.08209	13.2
245.06944	1.8
245.09238	15.5
262.09570	2.5
268.08362	1.2
269.09427	1.8
270.07794	1.2
271.14621	11.3
286.09610	9.2
287.10477	6.0
296.13983	2.4
304.10745	1.4
305.11502	1.7
315.13449	6.3
354.18173	6.4
365.19037	1.2
366.18240	2.5
390.18365	1.5
398.17145	4.6
452.18201	5.1
470.19125	2.2
573.30798	1.3
632.24792	19.3
633.25275	6.4
777.29840	1.7
795.30780	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	795.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57954	4.9
86.47826	6.2
92.20006	10.7
97.67442	6.5
98.40351	5.7
108.20284	5.6
129.05222	5.4
130.85690	6.3
135.28482	5.5
150.05618	25.8
175.05177	11.0
232.08516	43.1
233.09282	11.6
244.08501	9.3
245.09244	11.4
271.14511	7.5
286.09760	9.1
632.25122	24.2
633.72211	6.7
748.94855	6.9
795.30804	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	795.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59335	0.8
65.67609	0.8
91.37758	1.0
99.92582	1.6
116.92844	100.0
151.92923	0.9
153.73953	1.0
177.20413	0.9
203.80984	0.9
271.80478	1.1
280.25134	1.0
317.89169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80193	1.5
71.12220	1.3
75.13545	1.3
90.82819	1.6
116.92841	100.0
133.93008	1.4
143.76611	1.5
156.48112	1.3
298.49475	1.6
397.20547	1.5
454.73969	1.5
508.69971	1.7
753.96027	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	795.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
69.01089	0.8
71.01372	15.7
73.02936	32.4
83.01379	5.9
85.02943	6.4
89.02463	5.4
89.02921	0.7
95.01333	0.8
100.44055	0.7
101.02427	28.1
112.01211	0.8
113.02434	12.7
119.03488	1.0
125.02427	0.8
131.03474	1.2
143.03494	1.3
149.04543	4.2
161.04562	14.1
178.34283	0.8
180.12927	0.8
221.06665	5.9
221.36501	0.7
231.92827	0.7
289.16565	1.8
331.17603	11.2
375.14432	1.6
382.42853	0.7
652.93536	0.8
795.30438	1.1
807.94568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.62716	0.6
69.03438	1.2
71.01373	29.1
71.25713	0.6
73.02936	59.4
75.00883	0.9
83.01364	12.1
85.02935	5.1
89.02432	12.6
95.01366	1.5
96.95976	1.0
97.02919	1.1
101.02428	56.4
113.02435	24.1
119.03497	5.2
125.02406	1.3
131.03468	4.6
143.02492	0.7
143.03459	4.9
149.04543	10.0
161.04546	19.9
161.05803	1.4
193.44310	0.7
203.05635	2.6
221.06660	12.7
227.72432	0.8
249.57152	0.7
289.16528	2.6
329.16006	3.1
345.05640	0.8
421.20807	11.5
421.99228	0.8
751.22980	0.8
771.80920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59715	0.6
69.06141	0.6
69.96604	0.6
73.02935	0.7
73.18975	0.6
75.00845	0.8
88.11667	0.7
92.19948	0.7
99.92561	2.8
114.93351	0.8
116.92845	100.0
117.01917	4.0
284.16171	0.7
326.78149	0.7
402.62567	0.6
510.39377	0.7
587.56238	0.8
677.49249	1.3
755.29614	1.0
795.43738	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	797.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	3.3
59.01369	4.2
67.50183	0.7
70.02959	10.2
71.01360	3.6
72.04533	1.8
73.02934	3.6
74.02464	30.9
81.64105	0.7
84.02361	0.7
87.68872	0.8
89.02435	5.5
98.02464	7.6
101.02415	5.1
113.02436	2.7
116.02756	1.0
116.03515	21.1
116.05041	8.2
119.03436	1.2
125.34602	0.7
129.39076	0.8
131.03516	1.9
142.06532	0.9
159.09265	3.9
161.04538	5.1
201.10269	6.3
203.08269	66.4
221.06664	3.6
231.92139	1.0
245.09283	100.0
289.08237	1.8
477.13187	0.9
501.61026	0.9
507.20847	24.7
573.19922	1.0
612.80280	0.8
650.37750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	70.2
60.35078	2.7
63.91100	3.2
71.01368	61.1
73.02929	12.5
83.01338	3.1
85.02943	12.3
87.00857	5.6
89.02431	100.0
96.96006	5.4
98.85429	2.7
101.02428	58.2
111.67629	2.9
113.02446	39.8
119.03484	29.3
125.02367	4.2
125.83089	3.4
131.03481	16.0
143.03456	4.4
161.04561	32.4
179.05600	58.3
205.02917	3.2
221.06642	27.2
258.69037	2.8
263.07718	61.9
269.94598	2.9
388.72638	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	797.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	4.1
59.01379	100.0
65.15090	2.1
67.23215	2.4
69.03435	2.5
71.01380	19.9
73.02937	12.2
79.67482	2.0
85.02944	9.2
89.02397	9.3
92.20048	3.1
101.02423	16.5
102.25076	2.5
109.60054	2.3
113.02435	36.3
114.77081	2.1
119.04996	2.3
141.79422	2.1
152.08382	13.2
153.09169	22.5
161.04515	5.4
163.04010	3.3
205.12329	13.3
221.06659	5.3
361.14914	4.8
367.17551	22.5
385.18561	3.6
427.19720	74.5
641.44885	2.2
770.28632	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	797.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43212	1.0
58.02966	5.4
59.01370	9.6
59.48305	1.0
67.54183	1.2
70.02970	10.5
71.01373	14.0
72.04525	1.8
73.02950	2.6
74.02467	44.3
85.02903	1.7
87.00869	1.5
89.02426	17.4
98.02483	8.9
101.02438	15.3
103.19997	1.3
113.02457	12.6
116.03519	26.6
116.05018	10.6
119.03452	5.7
130.06671	1.3
131.03490	10.4
142.06561	1.4
159.02966	1.8
159.09222	1.9
161.04512	13.8
179.05582	1.6
201.10344	8.6
203.08266	93.6
221.06645	14.9
223.06126	2.1
237.23276	1.1
245.09291	100.0
246.66606	1.3
289.08258	2.7
507.13226	2.7
507.20810	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	75.0
60.80125	2.2
66.95004	2.3
71.01374	68.0
73.02563	2.6
73.02923	19.8
78.03934	2.6
83.01386	6.1
85.02938	27.8
87.00864	10.2
89.02436	59.8
95.01392	4.6
96.96026	4.9
97.02924	13.6
99.00876	3.8
101.02433	67.5
112.07439	2.3
113.02422	40.5
119.03450	24.6
125.02446	21.1
131.03474	6.1
131.44148	2.3
143.03484	12.6
155.03445	3.4
161.04558	22.2
179.05611	6.1
221.06650	13.9
228.93842	3.4
233.06689	4.1
323.09842	3.1
590.93433	3.2
693.29572	43.7
711.30847	29.3
753.31952	100.0
797.30652	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	797.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	78.4
61.70512	2.6
63.60395	2.2
71.01376	61.8
72.75473	2.8
73.02930	18.4
83.01347	4.0
85.02945	24.8
85.33530	2.3
87.00854	10.2
89.02427	69.7
95.01354	4.3
96.95991	4.6
97.02938	11.1
99.00885	10.8
101.01784	4.9
101.02428	79.4
110.53018	2.2
111.00835	4.0
113.02428	44.7
119.03468	25.4
125.02429	24.9
130.70129	2.4
131.03485	5.9
137.02441	2.7
143.03468	5.8
152.08440	4.2
161.04546	22.2
179.05592	9.8
221.06639	12.3
225.14957	9.3
245.06619	3.4
263.07983	3.2
274.66428	2.8
323.09918	4.8
335.79727	2.6
387.20087	5.2
406.12961	3.0
421.91415	2.8
496.32385	2.8
668.79047	3.1
693.29663	51.7
711.30914	26.0
753.31866	100.0
775.28436	2.8
797.30292	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	797.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	2.7
59.01366	12.2
71.01353	3.5
74.02470	20.4
78.43633	2.3
86.02515	4.5
91.08794	2.7
95.62772	2.3
99.05620	5.3
101.02463	6.1
109.10905	2.7
125.03501	4.0
127.05116	4.2
128.03532	72.4
141.31668	2.8
143.04608	100.0
146.04649	7.7
153.06680	4.6
160.00708	48.8
166.09869	4.2
167.04611	6.4
167.08179	4.3
177.03377	4.3
179.04633	26.2
185.05597	3.1
210.08823	29.8
254.07834	28.1
272.08847	21.2
288.06537	6.3
306.04547	3.7
306.07684	78.8
308.62839	2.4
328.19299	4.3
410.38147	2.5
468.12854	34.8
547.53412	2.9
695.14050	3.1
797.32605	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06965	1.1
58.02965	1.5
59.01356	2.3
74.02454	12.3
80.55307	1.4
83.12933	1.3
86.02451	6.2
89.30739	1.5
92.19431	2.6
99.05610	11.6
101.07140	2.2
107.02528	1.5
110.57649	1.4
112.46588	1.2
125.03513	6.9
127.05083	2.9
128.02617	2.1
128.03516	62.5
135.05595	5.2
141.06674	3.0
143.04605	100.0
145.06152	6.6
146.04526	6.1
153.06647	8.0
159.02153	1.5
160.00725	43.1
166.09787	3.1
167.04541	9.0
167.08235	2.7
170.03256	2.2
171.04059	1.6
177.03336	7.6
179.04616	27.2
181.06113	2.8
182.57248	1.4
185.05634	3.1
192.07703	3.2
197.05580	1.7
210.08830	26.6
254.07774	23.3
260.66171	1.5
272.08847	17.8
288.06500	7.4
306.07648	78.3
328.19180	14.0
348.87140	1.6
468.12985	27.2
579.08685	1.4
610.86768	1.5
797.17578	2.1
797.32648	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
60.22287	0.6
78.99788	0.7
92.19412	0.9
93.47697	0.7
94.86062	0.8
100.27690	0.7
105.27866	0.8
125.09705	0.9
139.11301	1.2
153.12825	0.8
163.11226	2.8
167.10854	0.8
168.11545	1.6
201.88446	0.8
249.22314	6.5
293.21231	98.1
311.22284	100.0
315.65436	0.8
361.24002	0.8
480.97226	0.7
828.88556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96824	0.5
57.26862	0.5
59.01376	8.6
71.01369	1.3
73.02916	0.9
83.22650	0.4
83.37866	0.5
85.02953	0.8
88.45911	0.5
101.02442	2.1
111.49271	0.5
113.02428	2.1
119.05003	0.8
149.02553	0.6
163.04027	0.6
205.97000	0.5
266.02942	1.1
266.05823	36.5
267.06619	100.0
325.09363	0.7
392.13394	0.5
429.11935	13.4
429.21088	4.6
453.04300	0.6
473.10867	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82541	0.8
71.01339	1.0
85.02933	1.8
89.02416	2.1
93.03445	1.6
111.00867	1.0
111.67482	0.9
113.02409	1.4
116.53598	0.9
119.04996	1.7
145.02940	4.1
149.02406	4.4
161.02444	2.0
162.14140	0.9
163.03990	1.0
175.03937	7.2
189.01903	1.7
193.01378	4.1
201.01868	5.7
213.07616	0.9
223.04433	1.4
227.07111	1.3
251.07150	20.0
267.06619	1.9
269.08197	38.3
277.05029	1.2
289.90433	1.2
290.02777	1.0
290.50153	1.1
294.05115	1.9
295.06104	100.0
337.94333	0.9
355.08249	4.8
457.11526	3.9
472.24594	1.8
582.03546	1.1
637.17798	63.8
650.31763	1.5
707.54657	1.1
712.26312	1.1
799.23486	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	799.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25495	1.0
59.01377	29.3
71.01363	5.5
73.02937	20.8
83.01385	4.8
89.02442	4.0
91.05533	2.0
92.19346	1.5
101.02417	17.2
107.79931	1.2
113.02441	7.3
119.03523	3.7
125.02455	1.9
131.03484	1.9
133.06615	2.6
143.03462	2.0
149.04515	5.4
161.04532	10.7
161.06000	2.0
163.04050	7.9
178.34180	1.1
203.08292	2.1
218.01410	1.1
221.06659	10.2
223.06111	20.6
245.09253	2.7
253.01259	1.2
285.11331	4.4
311.09384	1.8
313.10861	7.0
323.09720	4.5
324.10059	8.6
325.10876	12.4
326.08121	3.2
326.11600	7.6
339.12167	4.2
340.13101	6.0
341.10294	100.0
344.12531	2.0
355.12128	1.2
356.12650	56.0
359.14957	2.0
365.10770	1.6
371.14987	98.8
593.22247	2.1
762.32281	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	799.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93079	2.2
59.01376	24.0
61.59608	2.3
66.87216	2.8
68.62103	2.3
71.01384	25.5
72.32394	2.7
73.02929	3.5
75.00858	29.1
78.90028	2.5
85.02933	25.5
87.00845	6.2
89.02438	12.6
95.01360	2.5
96.95986	6.1
99.00864	14.0
101.02432	14.8
113.02419	39.5
119.03516	2.8
125.02470	2.5
125.74218	2.4
130.08757	5.3
143.03503	3.2
161.04486	5.4
172.09764	5.6
193.05096	3.3
195.06621	5.7
213.07610	2.7
225.07848	3.2
256.68948	2.5
269.11856	23.8
281.11688	19.2
283.71796	3.0
288.97287	2.3
297.64880	2.8
327.56784	2.6
413.16174	3.3
431.17026	29.2
443.16846	5.8
695.31256	3.8
739.35229	4.1
755.33838	11.1
799.26636	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	799.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	59.3
62.31393	2.0
68.12718	1.9
69.03431	2.3
71.01376	37.7
73.02937	3.5
74.93523	2.0
85.02948	11.0
87.00878	3.2
88.65918	1.9
89.02433	42.7
99.00829	2.5
100.25528	2.4
101.02423	36.5
105.64246	2.7
113.02433	15.1
119.03420	18.8
125.02412	22.9
131.03500	2.5
161.04482	8.2
179.05656	15.9
208.03850	2.8
221.06694	12.1
263.07593	3.2
269.18246	2.3
323.09818	100.0
327.12210	2.4
367.11691	3.2
371.11264	23.7
383.11359	36.8
386.13742	42.7
398.13785	10.2
401.16104	30.4
413.15836	12.8
488.23587	2.5
595.65210	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	799.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30939	1.5
56.51198	1.4
58.04089	2.8
59.01373	100.0
65.05334	1.5
71.01378	15.2
71.31770	1.3
89.75508	1.6
90.26538	1.4
92.26187	1.5
96.95982	12.9
97.02941	5.8
101.02429	9.5
112.05444	1.8
113.02451	2.0
125.06090	15.1
161.04501	9.1
164.11903	2.7
166.08672	5.8
169.05046	3.0
181.76599	1.4
184.02115	1.8
194.92773	5.9
207.08722	61.4
208.10922	38.1
249.09782	60.3
252.09875	65.1
292.45361	1.7
293.08777	9.4
454.93100	1.8
546.19354	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	799.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
71.01376	10.2
73.02953	15.1
85.02943	3.5
89.02428	6.0
99.41040	2.1
100.40800	1.7
101.02423	15.8
113.02390	13.8
119.03487	1.8
119.05003	13.2
119.54353	1.6
123.08100	1.8
131.03484	1.7
145.90010	1.6
149.04503	1.7
161.04520	2.4
163.03938	15.2
163.11255	2.6
189.12849	7.6
207.13940	9.1
221.06700	3.6
260.89316	1.8
266.05945	3.1
267.06570	14.7
325.09259	6.4
349.86118	1.8
369.19287	3.0
387.20248	2.7
398.31796	1.6
429.21371	61.6
473.10989	7.7
518.30273	2.0
548.75183	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	799.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
71.01374	67.2
73.02940	16.2
76.93714	10.4
80.35133	10.2
85.02929	21.1
89.02431	58.2
94.38665	11.1
101.02438	98.2
113.02422	50.8
119.03477	20.2
125.02485	19.9
126.67668	10.5
161.04559	18.0
169.92136	12.2
221.06702	16.7
267.75586	10.4
276.79413	13.9
695.31311	24.4
713.32111	46.0
755.33221	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72562	4.2
59.01380	82.4
61.57787	3.6
71.01374	100.0
73.02934	29.1
83.01385	9.7
84.05287	4.1
85.02941	24.5
86.60869	4.0
87.00854	7.8
88.11053	5.1
89.02435	75.4
95.01363	6.4
96.95959	6.6
97.02938	18.4
99.00869	6.4
101.02427	84.4
111.00863	8.3
112.01654	5.1
113.02460	41.7
119.03487	26.0
125.02429	26.9
128.08661	4.2
131.03479	6.4
141.01932	6.4
141.29144	4.2
143.03458	10.0
161.04547	20.6
179.05611	5.8
201.17847	4.2
245.06635	5.3
272.58597	4.4
323.09952	8.9
371.20712	5.1
389.21820	26.8
695.31158	81.7
713.32202	58.2
755.33704	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93053	0.9
56.72677	0.9
58.37542	0.7
58.65063	0.8
59.01365	1.5
70.31629	0.8
71.01341	1.3
87.00858	84.3
87.03445	0.8
112.19050	1.0
122.03707	3.3
122.75564	0.9
130.99843	94.7
132.00624	22.2
136.03908	1.1
196.74931	1.0
201.09146	1.1
254.04311	34.8
265.50992	0.9
318.78143	0.9
351.10846	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	799.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.09299	0.7
60.03103	0.8
71.01373	13.7
73.02937	6.8
83.01368	1.4
85.02940	7.9
89.02413	2.1
92.19954	0.9
99.00852	2.0
101.02430	21.9
113.02427	7.3
135.20857	0.9
141.15924	0.8
159.02931	1.3
161.04562	8.4
177.97388	0.8
218.69661	0.8
279.25638	0.8
289.16528	13.2
325.39087	0.8
331.17624	27.3
382.44650	1.1
423.22269	7.2
828.57196	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	801.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51846	1.1
58.79093	1.0
59.01381	16.1
68.88692	1.1
71.01365	8.8
71.57584	1.2
73.02934	2.8
75.00872	8.4
77.33988	1.3
85.02950	7.3
87.00844	1.4
99.00835	5.3
101.02422	6.8
113.02417	12.1
119.04985	12.9
119.25358	1.1
120.99620	10.9
125.70229	1.1
138.03197	8.6
149.02420	7.7
150.03195	4.4
153.05554	100.0
161.04492	1.5
163.04001	13.0
163.72762	1.5
165.05563	8.8
174.04584	1.2
191.07138	6.6
225.05901	35.7
266.05832	2.8
267.06592	8.4
268.06909	6.3
269.08237	26.5
325.09250	1.6
329.13660	1.4
335.67349	1.4
431.12985	1.5
434.68472	1.3
473.11026	1.6
475.12735	79.3
745.35022	1.2
757.25543	27.9
775.46307	1.3
789.34296	1.3
814.90015	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	801.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71158	2.5
58.94262	2.6
59.01387	21.3
60.62297	2.7
68.55837	2.6
71.01369	14.0
72.99296	6.2
75.00867	20.5
83.01398	3.3
85.02945	27.5
87.00848	5.6
91.58983	2.7
99.00880	4.7
101.02421	5.9
101.47440	2.7
105.74570	3.0
113.02422	35.8
115.00294	3.6
117.01862	2.9
120.55722	2.9
123.87122	2.6
150.03230	14.9
151.03973	3.3
164.07169	3.1
165.05542	27.6
181.08752	3.5
223.27049	3.3
329.13638	3.5
404.92075	3.1
408.88678	3.1
750.21014	3.7
757.25549	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	801.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.9
68.26888	0.4
71.01373	2.8
71.57553	0.4
73.02924	7.0
83.01373	0.7
85.02913	0.8
89.02432	0.6
101.02413	4.7
112.04180	0.4
113.02401	0.8
119.05000	100.0
149.04497	0.5
161.02502	0.5
163.03989	42.7
214.67967	0.5
357.95471	0.5
367.10303	41.1
405.39148	0.4
411.09167	0.6
607.65424	0.5
801.29425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	39.4
61.91563	1.4
71.01375	28.9
73.02931	13.6
83.01377	3.0
85.02944	18.1
89.02428	14.0
95.25644	1.4
96.31616	1.5
97.02933	2.8
99.00851	3.6
101.02435	26.4
112.01679	2.6
113.02412	21.3
119.03483	2.7
125.02434	3.2
129.89465	1.8
131.03488	1.9
143.03467	2.3
161.04581	3.0
166.05070	2.2
166.06247	11.9
167.07103	1.5
181.07150	2.6
181.08708	63.8
184.78697	1.6
194.05797	2.9
209.08173	3.9
211.86769	1.6
225.07635	10.6
265.10706	2.6
295.11719	2.5
325.12939	35.9
343.13974	67.9
404.77341	1.7
505.18661	1.5
547.20667	5.3
595.24182	3.2
715.27875	7.6
757.29242	100.0
801.27362	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	801.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64054	1.0
59.01380	33.8
71.01380	12.1
71.66171	1.1
73.02935	16.7
83.01379	5.8
85.02943	7.3
99.00843	1.4
101.02430	14.7
101.30700	1.2
104.33898	1.2
112.01630	2.0
113.02444	9.1
134.03751	1.3
134.56734	1.1
137.02434	1.9
149.06065	2.8
152.01086	1.6
154.02769	1.9
162.03265	1.7
163.04071	1.5
164.04768	2.4
165.05527	15.2
166.06351	26.8
167.03477	1.7
179.06979	1.8
181.05113	2.2
181.08696	42.5
194.05779	2.9
208.03734	1.8
209.08151	6.1
210.05243	1.3
223.06125	4.6
224.06807	11.4
225.07681	100.0
239.09322	16.1
246.52338	1.1
261.60413	1.6
267.99741	1.2
279.69037	1.3
282.41287	1.3
295.11920	2.2
310.10605	2.9
325.12964	38.2
343.10388	2.0
343.14011	30.5
350.43332	1.2
428.68719	1.3
535.22223	2.7
553.22906	7.4
595.24005	97.1
639.22974	35.9
801.28290	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	801.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	50.8
66.99679	1.9
70.93381	1.8
71.01372	12.6
73.02946	17.3
75.00850	2.3
77.72768	2.1
83.01361	2.8
85.02946	10.9
85.97606	2.2
94.97597	2.0
101.02423	22.7
112.01687	4.2
113.02434	11.3
142.20332	1.9
151.03969	3.5
152.01210	2.5
165.01978	2.4
165.05562	17.8
166.06313	27.5
167.03506	3.1
177.62526	2.0
181.05095	4.8
181.08694	51.0
203.08298	3.3
209.08179	3.3
224.06839	14.5
225.05573	3.8
225.07700	83.9
234.85306	2.0
239.09296	16.1
245.09177	3.1
253.84932	3.0
261.30539	2.0
309.97757	2.3
310.10757	3.6
325.12933	43.7
332.96942	2.2
343.14035	37.9
381.71484	2.5
467.21439	2.9
553.22705	10.1
595.23993	100.0
639.23138	29.9
662.80902	2.7
707.91705	2.4
801.28107	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50636	0.8
59.01376	8.6
71.01353	1.9
71.38409	1.0
73.02930	1.1
83.96217	0.9
84.39407	0.9
85.02922	1.2
101.02439	1.9
113.02442	5.0
119.91088	0.9
131.07083	1.5
150.03252	1.4
151.52744	0.9
152.04803	1.5
165.05600	2.0
166.02701	19.1
167.03505	1.2
175.50604	1.0
179.07106	0.9
181.05055	100.0
189.78304	0.9
197.54314	0.8
205.08679	1.7
263.27628	0.9
285.15945	0.9
286.02731	1.1
304.10980	1.0
318.92639	0.9
361.16620	1.2
387.10864	10.7
402.13208	18.1
417.15567	72.5
509.34549	0.9
516.83771	1.1
579.20905	26.9
595.24115	8.3
728.29810	1.4
757.24689	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	801.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	22.9
63.01760	1.1
69.03468	1.3
71.01367	20.0
73.02945	3.1
76.94792	1.3
81.03474	1.7
82.13430	1.2
83.01388	1.7
85.02911	3.1
87.00867	2.9
89.02420	13.3
92.19294	2.1
95.42596	1.2
99.00857	1.6
101.02431	16.4
113.02424	9.6
119.03474	2.4
124.01711	2.3
125.02433	8.8
131.03462	1.5
137.11617	1.3
141.01877	1.3
143.03477	1.8
161.04512	7.2
221.06520	1.6
229.18083	23.6
249.08286	1.3
307.43964	1.2
373.22214	18.8
391.23337	54.1
433.24335	7.3
553.28394	2.9
595.30322	1.6
672.25739	1.6
757.35016	100.0
801.35510	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	801.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.2
63.73851	0.6
69.03427	0.9
71.01376	18.8
73.02936	3.8
83.01371	1.2
85.02943	5.0
87.00858	4.7
89.02419	9.9
92.20016	3.0
97.02927	1.7
99.00865	3.1
101.02430	13.5
113.02418	9.0
119.03522	1.6
124.01646	1.4
125.02412	6.1
143.03481	1.7
143.08229	0.9
161.04549	3.8
208.03998	0.8
211.17024	3.3
221.06630	1.3
229.18086	27.2
243.19691	1.9
273.12079	0.7
342.18753	0.8
373.22324	19.1
391.23392	50.5
433.24341	4.9
553.28607	1.5
625.42438	0.8
757.35022	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	801.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.8
60.54086	4.4
71.01378	35.9
73.02966	5.5
89.02438	28.9
101.02454	26.7
113.02463	10.4
119.03464	9.2
131.03484	12.5
140.77338	4.7
161.04564	27.6
168.77164	5.4
186.93036	5.4
221.06544	19.1
251.62675	5.7
267.97943	5.3
315.19662	55.8
582.34369	7.0
801.35193	100.0
801.47101	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	801.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65095	0.7
61.15485	0.6
64.03784	0.7
64.29473	0.8
68.99115	0.8
71.01371	6.3
72.96297	0.9
74.06455	0.7
79.70708	0.8
89.02436	1.0
92.19406	1.1
92.47618	0.8
96.95988	1.6
101.02432	1.4
115.00356	24.8
119.03485	1.0
120.04530	65.4
121.02940	16.6
148.07671	8.4
164.07243	1.4
174.05602	12.8
192.06674	35.5
218.04559	4.4
236.05630	100.0
300.51822	0.9
402.23874	6.6
564.29364	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	801.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.2
67.88840	3.4
71.01374	16.7
75.00854	23.4
77.52944	3.1
83.05853	3.1
85.02939	33.4
90.33505	4.5
99.00873	5.8
101.02395	4.7
113.02425	38.5
143.33058	3.1
162.78320	3.5
203.96017	4.4
234.92766	3.7
297.31927	3.5
315.07855	3.5
463.34006	26.4
625.39227	6.7
801.42743	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	803.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.7
59.67867	0.9
73.58088	1.0
85.02940	0.9
88.65083	1.0
104.69867	0.9
119.04972	1.7
166.06384	1.5
180.04247	1.3
182.23405	1.0
189.05557	2.1
190.06299	6.9
191.07179	1.5
193.05087	1.1
194.05788	4.3
205.08672	20.9
207.06615	2.4
208.07404	28.7
222.08984	16.6
223.09892	1.4
274.24231	1.2
374.13721	6.7
389.16058	100.0
419.17160	38.1
581.22437	41.0
727.72156	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	803.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
77.37823	0.8
79.81731	0.8
107.05014	3.8
111.24170	1.0
131.78629	1.0
133.06575	2.1
149.06052	14.8
177.05548	15.5
179.03487	37.6
195.06606	3.9
239.05606	100.0
360.64911	1.1
556.66101	1.1
687.17950	1.1
772.69177	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	803.371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94237	1.3
59.01376	100.0
60.76011	1.5
63.79457	1.4
71.01376	11.9
73.02937	3.4
83.01377	1.6
85.02946	5.9
89.02445	7.0
101.02432	12.7
104.59147	1.7
113.02441	12.1
116.03524	2.2
116.92843	2.0
119.03479	2.0
161.04547	5.9
168.13110	1.5
203.08232	2.8
245.09351	6.9
245.57509	1.5
275.66885	1.8
315.18222	8.6
357.19223	23.0
618.71106	1.9
652.71289	1.8
803.44519	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	803.3713
Annotation	REBAUDIOSIDE B
Peak:m/z	Relative Intensity
59.01371	23.7
66.97334	3.7
68.13309	3.8
71.01375	25.1
71.04466	4.0
85.02942	4.5
89.02443	9.9
97.99148	5.2
101.02427	26.6
113.02445	9.8
119.03486	5.9
120.38064	3.9
129.21701	4.1
207.69975	4.3
241.29417	4.7
250.48792	4.4
317.21167	7.9
353.37332	4.6
479.26480	21.9
581.84735	4.3
633.55365	4.8
641.31622	7.9
707.53235	4.9
803.36987	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	805.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	56.5
59.01664	3.2
62.92081	2.2
70.80634	1.9
71.01371	39.8
71.21191	2.5
73.02940	12.8
83.01360	2.5
85.02941	8.6
87.00866	3.8
88.73711	2.4
89.02428	96.4
89.07137	1.9
101.02433	63.3
107.22369	2.4
113.02423	35.7
119.03488	44.5
125.02436	16.7
131.03481	14.1
143.03503	8.5
156.73947	2.2
161.04521	30.0
167.03178	2.2
179.05589	58.0
185.65871	2.6
203.05701	2.7
221.06662	25.1
227.47942	2.3
233.15453	100.0
247.17131	3.9
250.31055	2.2
275.16574	3.1
305.08749	9.5
323.09796	27.6
341.10907	68.6
365.11243	3.1
383.12158	20.0
395.20667	3.2
467.14188	3.2
557.26056	11.9
599.27094	20.0
775.81512	2.1
817.10211	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	805.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25906	4.7
58.44028	3.7
59.01381	42.5
61.86369	4.6
71.01369	27.3
73.02945	10.5
74.55246	4.5
85.02956	8.4
89.02424	71.7
92.44512	4.2
95.01418	4.5
101.02433	54.8
101.74268	4.3
113.02409	28.4
116.92814	6.1
119.03472	33.4
125.02465	17.7
143.03587	5.6
161.04533	30.9
179.05545	42.4
180.02151	4.4
189.63055	4.8
221.06662	19.4
224.26645	5.0
229.48662	4.7
233.15488	100.0
323.09802	25.0
340.76501	4.6
341.10745	32.2
383.11969	23.8
461.96802	5.3
544.98395	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	805.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	34.7
71.01380	16.8
72.99295	14.8
89.02430	38.4
101.02414	5.9
110.04015	3.0
113.02420	6.2
119.03448	6.3
120.43475	3.0
135.59297	2.9
166.45418	2.9
179.05629	24.9
181.05063	13.1
196.07402	82.6
206.08221	3.3
211.09766	69.9
402.21442	3.5
462.56204	3.8
466.11325	3.1
583.23969	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	805.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
79.27578	1.3
87.96445	1.6
94.42271	1.9
101.02411	1.6
163.23701	1.6
195.60463	1.7
219.35550	1.6
254.47438	1.7
269.11865	3.5
269.50156	1.5
281.08154	19.1
285.16080	51.0
310.08340	2.6
313.10828	100.0
324.09879	2.0
325.10809	42.0
350.07800	1.5
460.23233	1.7
505.17249	50.0
805.36438	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	805.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.9
62.41944	3.5
65.58898	3.7
71.01375	26.0
73.02931	5.6
81.94646	4.0
82.74220	3.8
85.02940	15.2
87.47396	4.6
89.02444	9.0
101.02430	30.9
113.02433	18.7
116.92858	28.3
119.03479	5.5
131.03445	5.7
139.42294	4.7
161.04474	5.8
254.44600	4.0
271.14517	5.7
383.97296	4.4
538.11328	4.6
805.38300	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	805.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.4
69.45219	1.2
70.83250	1.2
71.01369	18.4
73.02926	3.0
78.98624	1.7
79.95728	2.8
80.28378	1.2
80.96506	28.9
83.01376	1.5
85.02934	6.4
87.00871	1.6
89.02422	12.0
90.62116	1.2
92.20001	2.1
94.98055	7.6
97.02911	2.9
99.00871	2.4
101.02409	19.6
107.02251	1.3
111.00857	1.8
113.02435	8.8
115.01245	1.3
119.03457	6.3
125.02427	6.5
131.03490	2.3
134.97519	2.5
148.99080	6.3
152.98578	5.7
161.04523	5.8
164.98610	16.8
179.05739	2.0
206.99689	2.1
221.06712	1.9
225.00751	42.0
233.15381	2.1
304.69397	1.5
341.10526	1.4
405.92691	1.6
430.55435	1.6
643.33197	1.6
671.31677	2.8
701.30695	6.9
719.30963	6.1
761.32477	9.2
805.38916	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	807.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01376	49.8
61.98808	1.0
70.48547	1.2
71.01375	48.8
71.67424	0.9
73.02940	13.9
77.58968	1.1
83.01377	4.6
85.02936	11.8
87.00856	5.6
89.02429	100.0
90.66751	1.1
97.02918	2.8
99.00870	2.3
101.02431	71.7
101.03111	2.4
113.02425	33.6
119.03478	43.0
125.02441	10.0
131.03490	16.3
141.01939	1.4
143.03459	11.9
149.04515	2.6
159.03023	4.4
161.04541	33.8
179.05612	46.6
194.76639	1.3
207.95879	1.1
221.06647	21.2
245.06689	1.9
323.09872	9.3
341.10880	81.0
383.11981	21.0
467.13803	2.1
685.01508	1.3
686.96674	1.3
703.32159	10.5
721.32867	6.2
763.34027	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	807.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.8
63.45814	0.6
71.01361	0.9
73.02948	1.0
87.00857	19.1
89.02456	1.2
96.03344	0.7
97.06564	7.8
101.02382	1.1
107.05027	7.0
111.04493	3.7
112.05295	9.7
118.47448	0.9
121.02924	26.3
122.03724	6.3
125.19280	0.7
130.99832	9.2
132.00655	1.2
136.01718	2.6
137.02437	1.3
146.03731	1.0
147.04492	18.7
148.05338	1.6
163.03976	9.3
164.04761	3.0
165.05424	2.5
191.03539	9.6
192.04294	3.2
194.02222	4.2
201.09190	3.3
219.10243	5.9
223.88052	0.8
226.61061	0.8
245.11758	1.5
254.04301	4.3
261.11307	5.1
280.43326	0.8
289.10757	4.6
291.08731	18.5
341.70178	0.8
349.09222	1.1
351.10846	100.0
375.84268	0.7
454.82910	0.9
476.71844	0.7
492.28152	0.7
607.64856	0.9
618.16107	0.7
804.99066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79064	0.7
59.01377	100.0
63.45648	0.9
64.95309	1.0
70.63254	0.8
71.01370	14.1
73.02932	6.0
81.37592	1.0
83.01385	1.3
85.02935	7.7
87.00879	1.9
89.02418	1.5
99.00835	1.0
101.02430	15.1
109.05173	1.0
113.02430	11.5
119.68116	0.9
144.88409	1.0
161.04556	6.9
169.55952	0.9
183.04492	7.5
212.02081	0.9
289.16562	3.6
331.17551	10.9
345.13177	2.0
387.14453	11.9
387.19788	1.6
549.67847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	17.1
68.99347	0.8
71.01378	4.4
84.67292	0.7
85.02951	1.3
89.02410	1.1
91.53363	0.8
97.06615	0.9
97.64710	0.8
101.02417	4.2
113.02429	3.6
113.46429	1.0
121.02950	1.9
122.03750	1.4
145.02904	7.9
149.02425	5.4
150.03218	26.7
153.14633	0.9
163.03969	1.8
164.04797	8.1
165.05556	78.4
180.04222	4.9
181.16376	0.8
182.80357	1.0
195.06636	15.4
243.10280	7.5
299.12607	0.9
328.13184	6.2
329.10376	2.0
341.10110	6.0
343.15402	4.1
344.12640	9.7
345.13171	0.9
349.09268	9.1
356.12534	4.7
359.14954	12.1
371.14954	5.1
418.08765	0.9
463.17474	1.3
465.19379	1.6
478.84714	1.0
492.17755	4.5
507.20169	6.9
522.18567	1.1
533.63983	0.9
537.21375	9.6
550.88159	0.9
585.23462	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	807.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
61.91039	0.6
76.03512	0.6
78.98742	0.6
81.93361	0.8
96.95999	1.4
108.34166	0.7
109.78432	0.8
119.60077	0.8
149.02374	1.7
150.03210	30.9
164.04712	1.7
165.05550	100.0
180.04352	5.5
195.06612	27.1
285.11322	0.8
329.10297	1.8
331.12952	0.9
341.10339	8.2
344.12622	13.7
356.12689	7.1
359.14941	15.0
371.15054	6.0
381.34753	0.7
560.49188	0.8
585.23462	77.6
779.09442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	82.8
71.01374	100.0
73.02940	22.9
83.01369	9.3
85.02947	41.7
87.00858	5.7
89.02435	96.7
92.19341	8.6
95.01376	6.0
97.02927	8.9
99.00861	17.7
101.02437	93.3
111.00877	7.1
111.87418	3.9
113.02438	53.5
119.03490	42.1
121.80857	4.1
125.02441	36.6
131.03496	17.3
143.03479	10.1
149.13548	4.9
161.04526	27.5
163.73091	3.8
221.06677	9.0
235.96330	4.7
323.09802	17.0
415.31259	4.4
701.84863	4.4
703.31793	95.9
721.32770	48.3
763.34125	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
70.06262	1.1
70.16154	1.2
71.01364	14.0
73.02940	14.1
83.01379	1.7
85.02927	2.0
89.02439	5.9
99.00918	2.0
101.02445	18.8
113.02441	10.4
123.04504	1.2
149.02425	1.3
150.03194	11.7
161.04495	13.5
164.04741	2.5
165.05553	42.7
180.04291	1.4
181.05035	5.0
195.06595	7.8
203.05588	1.6
221.06618	2.3
263.15009	11.4
305.16052	14.7
328.13120	2.4
344.12756	3.0
359.14908	3.0
413.21716	13.7
453.86716	1.2
507.20215	2.5
537.21735	2.1
585.23438	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
67.97538	1.7
70.29161	1.6
87.05596	3.3
116.07180	27.8
127.08775	2.7
129.10321	6.8
137.07178	3.5
144.07770	9.9
155.08252	3.2
160.76411	1.7
163.35583	1.6
164.12282	1.8
173.09290	13.3
182.34390	1.7
203.08286	11.1
220.11075	5.7
225.13577	37.3
228.17184	13.9
243.14619	12.1
259.14539	3.5
285.19241	8.6
319.17621	2.8
329.18408	16.2
341.18188	10.3
372.20462	1.8
447.23572	18.0
476.25314	7.4
575.32300	2.4
703.38037	3.4
777.41333	9.2
806.51422	2.0
807.42596	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	807.426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93901	1.9
59.01382	16.9
71.01363	11.2
73.02912	2.6
73.04084	2.3
84.00902	3.0
85.02924	3.8
86.39408	2.5
89.02439	20.3
101.02415	15.2
113.02447	14.4
116.07147	21.2
116.92824	2.5
119.03432	4.0
125.02435	2.6
127.05113	2.4
129.10327	4.8
130.67867	1.9
137.07237	3.0
138.05495	2.2
139.60237	1.7
143.03510	2.7
143.48399	1.9
144.07802	14.2
146.06070	3.7
151.08771	2.3
161.04469	2.6
163.08699	2.2
173.09270	17.7
193.73422	2.3
203.08231	12.7
217.55154	1.8
220.10889	8.4
221.06664	2.5
225.13586	37.4
228.17120	19.9
243.14615	13.0
250.15584	3.0
272.16101	2.6
285.19308	9.1
319.17969	2.8
329.18219	14.8
341.18509	3.4
390.21671	2.5
408.96689	2.1
415.23166	2.7
447.23727	17.4
476.25256	10.0
496.56613	2.2
703.32312	8.7
721.32947	4.2
763.33136	15.1
777.41876	4.1
787.29163	2.2
807.42633	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	808.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	1.5
60.99993	0.9
61.22113	0.9
68.40849	1.1
71.82804	0.9
74.02468	11.5
86.02482	5.5
87.05633	1.3
90.00144	1.2
99.05640	10.0
102.53915	1.0
107.46494	0.9
112.46873	1.1
113.03539	1.1
126.01959	1.2
127.05150	1.8
128.03517	35.0
135.05676	1.2
141.06683	2.4
143.04608	59.6
143.11589	1.0
145.06154	1.3
145.44456	1.2
146.04597	6.8
153.06685	5.0
160.00690	12.1
166.09767	1.2
167.04623	4.2
167.08224	1.8
177.03310	4.1
179.04616	13.4
210.08817	10.7
254.07814	5.9
257.71701	1.1
264.05487	1.1
272.08896	9.5
288.06561	2.3
306.07669	100.0
344.13428	1.1
345.15036	1.2
398.05441	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	808.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44493	7.7
61.60905	8.0
65.56007	8.4
134.76535	9.8
165.12788	10.2
252.03555	10.3
277.21710	63.3
291.19559	100.0
297.55322	9.6
453.44016	12.3
502.29251	56.4
647.11731	12.3
799.78046	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	809.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	26.5
71.01357	1.8
89.02423	2.9
94.13654	2.0
101.02454	7.8
102.14401	1.7
110.07831	1.8
110.15723	1.8
119.04994	2.1
149.02460	3.2
150.97354	2.0
161.04514	3.4
266.05859	33.2
267.06628	100.0
269.08313	20.3
369.77280	1.9
429.11823	10.3
431.13373	2.7
440.43781	2.0
473.10919	37.4
475.11765	2.7
534.43835	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	809.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79071	1.0
59.01376	90.0
62.60531	1.2
71.01373	5.9
73.02927	6.3
74.02463	1.7
75.62157	1.3
85.02917	1.6
87.00856	6.0
88.16721	1.1
89.02421	1.5
92.19318	1.3
96.95985	2.5
101.02454	8.0
103.00352	1.6
105.01926	20.1
113.02423	6.4
114.56345	1.2
117.03448	1.5
119.05002	36.3
138.06845	1.6
144.93645	1.5
145.02942	100.0
147.02985	46.5
151.07605	2.1
152.08420	8.6
152.96783	1.3
153.09233	23.8
163.03992	92.6
189.05539	12.8
203.08290	6.1
205.12361	7.8
223.13443	2.9
229.22957	1.3
229.56850	1.2
241.62695	1.4
245.09183	10.9
251.05537	2.2
289.38269	1.5
293.06677	63.7
337.05457	1.4
367.17670	2.3
427.19733	29.5
427.25006	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	809.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	87.1
59.79866	0.8
61.98827	5.8
64.15059	0.7
71.01371	4.6
73.02930	12.6
73.58672	0.8
75.89445	0.8
83.01373	1.7
85.02949	0.9
85.03467	0.7
85.57089	0.8
87.00841	4.4
89.02408	1.6
96.96031	1.2
101.02431	9.0
103.00355	1.1
105.01927	16.9
113.02430	1.7
117.03419	1.0
119.05024	11.5
145.02939	100.0
147.02985	44.0
149.04558	1.4
161.04639	3.2
163.03995	45.6
164.32004	0.9
189.05545	15.4
221.06688	4.6
233.04637	1.1
251.05579	4.2
293.06662	56.6
337.05594	4.0
427.20129	0.9
476.91718	0.9
477.17426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01085	0.9
59.01375	25.1
68.65277	0.5
70.81915	0.6
71.01369	27.2
72.99322	1.1
73.02928	12.2
75.00875	0.7
77.38594	0.6
80.19947	0.6
83.01357	4.7
85.02935	15.1
87.00854	1.2
89.01969	0.6
89.02435	6.3
90.61657	0.5
93.94572	0.5
95.01371	2.2
99.00879	4.8
101.02422	37.0
113.02428	21.2
119.03463	2.8
119.04983	6.2
125.02418	1.5
135.40381	0.7
138.05595	1.3
143.03506	2.7
159.02943	3.2
161.04521	14.4
163.03989	2.9
235.11853	18.2
259.10876	3.6
312.74219	0.7
321.10840	2.8
325.09332	2.7
379.16116	0.7
397.17126	18.5
439.18192	100.0
481.19342	0.7
629.21838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38094	2.5
59.01362	5.1
60.07416	2.6
62.32621	2.9
71.52873	2.6
80.48878	2.7
89.02438	3.2
98.94570	3.4
101.66892	2.8
105.04044	3.5
109.16991	2.9
149.02457	11.3
149.06013	3.4
150.03221	72.1
151.03981	5.4
152.04794	3.4
157.97429	2.9
164.04808	5.7
165.05545	100.0
174.60460	3.4
180.04227	6.9
181.05013	13.0
195.06645	17.5
278.28296	3.3
304.98846	3.3
405.08344	3.4
468.78253	3.3
557.06488	3.5
565.20538	10.9
613.85852	3.8
618.09729	4.0
698.23047	3.1
713.26196	4.3
764.12122	3.4
780.26129	3.6
794.29480	4.2
809.30109	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	809.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85544	7.7
87.84935	9.5
90.62749	8.1
133.33810	8.7
150.03191	35.3
159.39607	9.7
165.05519	68.5
180.04222	23.0
195.06644	70.4
223.06116	10.9
225.07632	10.0
239.14784	9.9
309.07773	11.0
311.09195	12.2
323.09375	20.9
327.08740	46.4
339.08682	100.0
342.10974	74.7
354.11023	21.8
357.13248	85.4
369.13214	75.1
421.14932	12.7
613.22577	42.6
761.28772	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3027
Annotation	Hedyotisol A
Peak:m/z	Relative Intensity
65.12059	1.0
69.47144	0.8
71.04700	0.9
76.13295	1.1
89.11370	0.9
92.86900	0.8
122.03718	4.3
123.04510	1.1
123.63502	0.9
136.01643	1.7
137.02444	1.2
149.02380	5.0
150.03203	65.0
151.03981	5.6
152.04784	1.7
164.04762	5.0
165.05547	100.0
166.02602	1.9
179.07106	2.3
180.04227	11.0
181.05063	10.2
192.04314	2.2
195.06602	28.7
195.62004	1.0
197.66403	0.9
203.17590	1.0
207.06625	5.7
264.97482	1.2
373.13345	1.0
387.14670	1.4
417.15720	3.2
565.20850	7.0
595.21832	1.4
613.23083	5.2
614.27350	1.2
743.26587	1.3
761.28076	4.8
791.29138	1.4
809.29999	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	809.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.6
71.01370	3.6
73.02934	0.9
85.02920	0.6
87.00859	19.5
89.02419	4.0
97.06573	6.3
101.02412	3.6
107.05016	8.2
111.04498	2.0
112.05286	10.5
113.02439	2.3
115.50160	0.4
119.03498	2.0
121.02924	24.9
122.03733	8.2
123.04507	0.8
130.99854	10.8
131.03546	0.7
132.00563	3.4
135.04491	0.9
136.01648	0.7
137.02399	1.9
147.04494	16.6
148.05307	3.5
161.04550	0.8
163.04031	6.2
164.04765	2.9
175.07655	0.7
176.04742	0.8
191.03482	8.0
192.04204	3.7
193.01523	0.7
194.02170	3.6
201.09161	5.5
219.10213	4.9
245.11777	2.1
254.04266	3.7
261.11316	5.6
289.10898	5.7
291.08752	14.9
325.15536	0.6
349.09259	0.6
351.10840	100.0
423.07092	0.5
471.44345	0.5
705.33368	3.1
723.34515	1.9
765.35229	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	809.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.7
70.13605	0.6
71.01377	8.4
73.02932	1.0
76.64787	0.7
81.03410	0.8
85.02938	3.9
86.11252	0.7
87.00863	22.0
89.02421	8.4
97.06539	5.1
99.72028	0.7
99.77471	0.8
101.02396	7.8
107.05013	5.2
111.00859	1.0
111.04498	3.2
112.05283	9.9
113.02470	5.3
119.03452	3.3
121.02936	21.4
122.03741	6.5
123.04439	0.8
125.02415	2.9
130.99835	11.9
132.00620	1.3
135.04471	1.1
136.01628	0.7
137.02469	1.3
138.64207	0.6
139.03931	0.9
141.53337	0.6
143.03523	1.4
147.04510	20.7
148.05267	3.5
161.04610	2.3
163.03990	8.0
164.04747	3.8
165.05489	1.6
176.04828	0.9
191.03499	9.5
192.04240	4.5
193.01416	1.0
194.02180	3.8
201.09157	5.2
219.10301	6.3
221.06671	0.8
245.11847	1.4
254.04337	3.8
261.11334	6.3
289.10825	5.0
291.08768	17.6
351.10852	100.0
352.11319	0.8
353.11588	0.8
517.28387	0.8
559.72742	0.7
705.32935	6.0
723.34387	5.0
765.35394	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	809.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42178	0.7
59.01372	7.7
60.50597	0.7
67.79141	0.7
78.84922	0.7
86.75270	0.8
97.06549	1.4
123.08143	20.0
125.09707	13.1
133.06575	1.8
141.09210	1.3
151.07637	26.6
167.07057	1.6
169.08708	16.7
195.06572	5.5
213.07686	100.0
220.88164	0.9
243.84033	0.8
293.55472	0.8
428.25681	0.7
520.81799	0.9
657.02246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09732	4.5
59.01380	81.3
71.01368	86.1
71.56294	4.4
73.02934	27.4
79.51978	4.0
83.01380	18.2
85.02925	24.3
87.00852	7.1
87.04424	4.6
89.02427	100.0
92.19346	10.4
97.02943	18.7
97.22509	4.7
99.00834	5.3
101.02433	85.0
109.31564	4.8
111.00878	5.0
113.02422	69.1
119.03477	36.8
125.02409	27.2
131.03461	19.7
143.03464	8.1
161.04512	27.5
179.05618	18.9
221.06705	20.4
233.06804	4.4
245.06624	6.4
705.33307	45.3
723.34692	50.7
745.43848	5.4
765.35400	96.6
789.11182	6.2
809.33691	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	809.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70356	2.7
56.79546	3.1
59.01376	75.7
62.20999	2.7
69.03436	4.0
71.01373	90.8
72.99314	2.8
73.02934	22.7
77.43034	3.2
81.03442	5.1
83.01384	14.8
85.02930	27.5
87.00853	6.0
89.02429	100.0
95.01398	6.7
97.02929	13.1
97.35079	3.9
99.00864	14.3
101.02432	92.8
111.00865	6.0
113.02427	52.1
119.03496	31.2
125.02438	26.3
131.03465	13.2
141.02003	3.7
143.03513	15.0
146.87329	3.6
159.02991	5.0
161.04527	32.2
167.03601	4.1
167.10158	3.0
179.05635	12.9
197.25919	3.4
221.06613	14.3
245.06490	5.7
323.09988	4.7
347.12857	3.0
351.77179	3.4
688.59088	3.9
705.33588	69.8
723.34302	50.2
736.47510	3.3
765.35614	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	92.1
64.24477	4.7
68.65106	6.1
71.01373	85.4
73.02934	11.7
83.01373	13.9
85.02929	34.6
87.00888	8.0
89.02427	100.0
93.93723	6.6
97.02920	7.7
99.00876	9.2
101.02441	95.6
113.02448	53.1
119.03458	33.7
125.02422	27.7
143.03499	10.3
155.19498	6.0
161.04550	33.4
176.02345	5.6
179.05582	10.4
221.06509	5.8
244.57491	5.2
287.24612	7.5
336.38345	7.0
344.61533	5.8
373.80975	6.0
705.33337	83.8
723.34656	59.9
765.35675	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95128	6.5
59.01381	100.0
61.46718	6.4
71.01362	72.9
73.02946	13.0
78.03477	6.4
85.02944	29.8
87.00852	9.6
89.02424	62.4
92.19979	7.7
95.01341	9.1
98.43716	7.3
101.02428	80.4
111.00779	7.4
113.02418	51.3
119.03481	27.8
125.02427	17.5
131.03543	8.1
143.03529	10.6
150.97910	7.4
151.20755	7.3
161.04475	27.9
179.05423	7.9
221.06575	11.9
261.51157	7.5
421.87308	7.6
705.33289	54.2
723.34796	27.5
765.35095	92.7
829.21582	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	809.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75874	4.2
57.29357	4.3
59.01380	97.6
62.63546	4.5
71.01379	85.9
73.02922	18.6
85.02948	30.9
86.26715	4.8
87.00850	8.3
89.02431	86.3
95.01358	7.2
96.07172	4.6
97.02952	10.4
97.52192	4.6
99.00893	11.5
101.02430	100.0
113.02442	58.9
119.03470	29.6
125.02418	10.3
131.03505	4.9
161.04539	28.8
180.81178	5.2
241.34412	5.5
705.33368	64.6
723.34186	43.8
765.35284	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	79.7
71.01372	78.7
73.02937	24.2
74.02468	28.0
83.01386	6.1
85.02930	23.4
87.00845	10.1
89.02431	95.5
95.01340	6.2
95.83634	3.9
97.02930	8.7
99.00874	7.2
100.16534	3.9
101.02422	100.0
111.00834	9.4
113.02442	57.8
116.03491	6.0
119.03489	21.4
125.02419	18.2
131.03468	8.1
134.18639	4.6
143.03448	8.9
160.18604	4.8
161.04561	28.0
162.61559	4.6
179.05579	7.0
184.55115	4.2
184.59164	4.5
203.08279	25.5
221.06563	17.7
245.09331	52.6
252.34305	4.6
359.21127	5.7
408.68915	5.2
417.22873	5.0
599.23669	4.7
705.33722	62.8
723.34448	35.4
765.35480	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14556	2.6
59.01385	24.5
59.55143	2.8
66.32264	3.0
74.03500	3.1
86.20814	2.7
106.86940	3.2
136.12599	3.0
161.47397	3.2
227.10779	100.0
301.14648	22.6
313.72498	3.3
675.30029	16.4
749.33435	13.5
784.32837	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	809.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	37.6
62.52660	4.1
71.01370	25.1
73.02921	5.1
83.01415	4.9
85.02956	6.6
89.02425	18.5
101.02423	9.8
113.02418	11.4
119.03448	7.2
173.75609	5.1
199.83516	4.3
280.57977	4.7
299.27524	5.2
336.11432	4.7
388.12994	4.8
423.32391	7.9
441.33438	6.3
451.52740	4.6
809.43274	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	810.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.5
75.46317	1.7
82.02975	10.5
84.04533	58.7
85.02950	20.5
100.04037	29.1
115.33252	1.5
115.71767	1.8
128.03523	40.6
138.88618	1.8
142.65289	1.6
160.07787	1.6
171.90137	1.9
188.10822	4.1
204.10225	12.2
232.09787	87.7
250.10841	83.6
250.13307	3.5
274.91119	2.2
292.11929	100.0
293.04620	13.1
302.68988	1.6
368.28119	1.8
681.02051	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	811.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60196	0.7
59.01376	68.7
67.92032	0.9
71.01363	1.8
72.05143	0.8
73.02928	0.8
78.57426	0.8
85.02951	0.9
87.00854	4.4
101.02437	3.8
103.00387	1.6
113.02435	1.7
119.05002	25.4
145.02943	45.1
149.02426	1.5
161.02484	1.4
161.04538	1.3
163.04001	100.0
189.05573	25.3
207.81555	1.1
249.13393	4.4
251.05542	9.2
266.05826	10.6
267.06625	30.9
268.06906	1.6
269.08215	14.3
274.05252	1.2
291.14444	7.9
293.06683	42.9
293.09958	1.5
337.05508	2.1
429.11868	2.2
431.13596	1.5
473.10971	13.8
475.12454	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	811.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98835	0.4
64.81173	0.4
68.30468	0.3
78.95901	5.1
79.95728	2.2
84.41866	0.3
96.95993	100.0
96.96890	7.9
100.67789	0.3
106.39973	0.3
117.97501	0.4
175.73102	0.4
216.64317	0.5
218.89308	0.3
233.43584	0.4
236.55595	0.4
539.46631	0.4
816.02454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98835	0.4
64.81173	0.4
68.30468	0.3
78.95901	5.1
79.95728	2.2
84.41866	0.3
96.95993	100.0
96.96890	7.9
100.67789	0.3
106.39973	0.3
117.97501	0.4
175.73102	0.4
216.64317	0.5
218.89308	0.3
233.43584	0.4
236.55595	0.4
539.46631	0.4
816.02454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.50121	0.7
62.87781	0.7
71.01373	7.7
73.02929	1.6
85.02934	1.6
87.00847	3.8
101.02430	10.8
103.00360	1.4
113.02458	6.4
119.03559	0.8
119.05016	23.4
120.63978	1.0
145.02942	29.4
149.02438	10.1
153.05563	1.0
159.03139	1.1
161.02454	1.9
161.04539	9.6
161.05711	1.2
163.04002	78.5
189.05580	19.0
193.01363	1.3
249.13437	16.4
251.05597	6.0
264.21130	1.0
266.05722	7.6
267.06604	19.3
268.06882	2.1
269.08200	48.4
291.14496	24.0
293.06671	28.3
308.57275	0.9
315.63071	0.9
335.13501	1.1
337.05859	1.3
355.06677	4.6
376.33328	0.9
431.13498	7.8
441.31662	1.1
473.10712	8.4
475.12103	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	811.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
62.61870	1.3
71.01371	7.9
73.02930	7.5
85.02919	2.3
87.00864	5.2
89.02419	8.0
96.96012	13.1
98.90614	1.4
101.02432	15.2
103.00373	1.3
105.01936	13.5
113.02420	6.7
119.04997	13.6
130.59937	1.5
145.02937	86.1
147.02982	41.5
152.08446	1.6
161.04503	2.4
163.04004	37.5
182.07718	1.4
189.05577	6.4
203.48932	1.4
241.31894	1.4
251.05605	1.5
293.06644	47.3
316.49249	1.3
337.05533	1.6
347.16931	2.7
369.19208	4.8
387.20276	2.6
429.21326	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.29
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	60.4
71.01369	62.0
73.02941	22.5
83.01374	2.9
85.02927	18.3
87.00864	10.3
88.12615	1.9
89.02431	100.0
96.96017	2.2
97.02930	11.6
99.00856	2.5
101.02430	89.4
111.94473	2.5
113.02435	47.5
119.03484	44.3
123.08185	8.1
125.02435	16.3
125.09690	2.8
131.03496	25.6
136.05225	2.2
143.03476	14.0
145.05017	3.4
150.06837	4.6
151.07642	5.0
156.53751	2.3
161.04536	46.8
164.04826	2.7
165.09206	27.0
169.08650	2.9
179.05586	29.4
198.03882	2.1
203.10800	3.0
213.07657	20.1
214.07983	8.4
221.06659	34.7
245.06544	2.5
249.72624	2.3
300.14667	3.3
315.17163	4.7
323.09781	3.9
341.10855	35.1
383.11884	25.0
451.18152	9.5
559.18524	3.3
601.19934	11.0
707.27893	7.2
749.29333	4.1
767.29633	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	5.6
59.01388	0.6
62.52812	0.6
66.00938	0.6
70.02970	9.0
72.04542	2.7
74.02459	36.6
74.15546	0.7
76.82645	0.7
98.02457	9.3
113.83555	0.6
116.02737	1.2
116.03513	23.9
116.05022	10.5
127.66642	0.6
130.06483	0.7
139.36440	0.7
142.06607	1.2
159.09291	3.2
201.10275	6.2
203.08263	72.7
208.97731	0.7
245.09291	100.0
249.71091	0.7
289.08243	3.1
538.02893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	4.1
59.01364	4.4
70.02969	9.0
71.01359	0.9
74.02463	35.9
82.16831	0.7
82.31406	0.8
82.83471	0.8
85.14156	0.8
85.27978	0.8
96.95974	1.8
98.01905	0.9
98.02454	8.5
101.02416	1.3
116.03514	22.7
116.05038	9.5
131.31242	1.1
153.47716	0.8
159.09222	2.1
177.03346	0.8
183.09277	1.1
196.41550	0.9
201.10292	7.0
203.08261	72.9
245.09293	100.0
289.08200	4.2
300.13596	1.0
521.18774	9.2
712.36707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.6
74.78410	0.4
87.00847	0.6
95.63929	0.4
102.07041	0.4
106.26873	0.4
117.67977	0.4
130.06641	0.9
146.63170	0.4
150.70074	0.4
156.08176	9.3
158.06067	0.9
172.07664	26.1
174.05539	2.8
200.07166	25.2
202.05095	57.0
203.08170	0.4
207.81305	0.4
218.08188	5.0
244.06149	2.0
262.07187	100.0
389.07932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
71.01373	1.2
73.85677	0.6
74.65546	0.6
77.30982	0.5
79.52730	0.5
89.02412	1.2
93.27599	0.7
97.12143	0.6
101.02399	1.4
105.50507	0.7
113.02415	1.1
117.02655	0.6
136.01660	1.0
137.02415	3.2
142.73030	0.7
161.04517	0.7
166.02727	2.4
168.17365	0.7
178.02710	1.5
179.03532	1.0
181.01384	4.3
195.02977	1.4
196.03758	6.0
198.01714	2.8
210.05377	1.3
228.02713	4.5
273.11276	1.5
285.07687	0.8
285.11200	1.0
297.61548	0.7
302.07971	0.8
303.12253	1.1
314.07889	2.4
317.10220	11.1
329.10284	8.2
332.09079	1.2
347.11359	100.0
351.45782	0.8
361.03021	0.6
509.16693	3.9
541.81152	0.8
645.61292	0.7
649.31573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5444
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98373	1.1
68.88311	1.0
69.44832	0.8
77.98685	1.0
92.32832	1.0
96.19743	1.2
126.43441	1.2
148.43597	1.0
152.99591	1.5
156.00533	1.1
279.23279	78.1
293.21231	100.0
447.13068	1.2
473.40988	1.1
504.31033	47.0
562.51044	1.1
812.54236	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	813.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	2.1
59.01368	8.7
66.50542	1.2
70.02963	6.5
70.92518	1.1
71.01382	2.2
72.04508	1.2
73.02946	6.2
74.02459	28.2
85.02937	1.6
87.00877	1.3
89.02418	1.3
93.38464	1.2
98.02465	4.6
101.02425	4.5
113.02388	1.8
116.03528	14.9
116.05018	7.9
151.03989	5.6
153.05508	1.9
160.01543	1.4
161.02409	15.2
161.04433	1.3
162.06873	1.4
170.83409	1.3
172.42221	1.3
193.05020	2.0
201.10251	4.4
203.08260	54.0
204.08617	1.6
207.06763	1.4
213.05507	1.9
237.07672	1.2
245.09302	72.6
246.09679	1.6
246.60107	1.4
257.04437	1.9
285.07758	1.7
294.09125	1.5
297.07672	1.4
298.08475	1.5
299.09277	12.8
311.09235	11.8
313.10748	6.3
314.11517	8.5
325.07230	2.2
325.10779	10.5
326.11691	6.7
329.10266	1.9
339.08780	1.9
341.10226	19.5
343.08127	2.8
344.12784	5.2
353.10336	2.2
355.08231	28.9
356.12500	1.9
358.10553	64.0
359.15073	2.5
370.10565	63.3
373.12952	63.4
385.12949	25.3
403.13882	8.1
769.25568	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	813.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
62.65052	0.5
66.89486	0.5
71.01366	8.8
73.02943	2.4
74.55402	0.6
83.01376	0.7
85.02945	2.5
87.00871	3.1
92.19999	1.2
93.53291	0.5
101.02429	6.7
106.04205	0.8
107.05016	18.4
113.02428	5.8
133.06549	5.3
134.03732	0.7
135.04550	1.4
149.06062	16.1
159.03070	1.0
161.04555	3.7
177.05556	34.5
179.03445	2.4
195.06610	10.7
265.07114	1.4
341.08795	12.0
401.10898	100.0
423.32538	0.7
762.50659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
62.53828	3.0
63.93727	2.9
71.01373	83.9
73.02933	19.5
79.05528	5.2
83.01363	6.9
84.49432	3.1
85.02923	29.2
87.00849	8.6
88.76212	3.2
89.02431	89.9
91.21270	3.4
96.73240	3.4
97.02956	4.0
99.27749	3.3
101.02437	91.1
109.17004	3.6
111.00813	4.0
111.04493	18.4
113.02432	54.1
119.03492	42.7
125.02432	27.0
129.05533	23.5
131.03470	18.4
141.01868	5.5
143.03474	13.6
159.02937	4.4
161.04524	43.1
165.10092	4.1
179.05682	26.3
179.07016	4.8
179.14400	13.8
221.06627	26.5
241.14442	3.6
263.07599	4.8
316.81308	4.4
401.31824	4.1
444.81174	4.3
541.53876	4.0
597.24194	8.0
615.24829	6.8
657.26050	30.1
709.29492	33.6
727.29803	15.8
769.31366	74.3
813.38062	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	5.9
62.33303	0.7
70.02976	8.7
72.04536	1.3
74.02458	36.4
74.02876	1.6
92.19962	0.9
98.02463	6.6
116.03510	20.7
116.05048	7.7
125.02318	0.8
142.06628	1.3
159.09253	4.7
187.89059	0.9
199.49834	0.9
201.10326	6.1
203.08258	71.1
239.50116	0.8
245.09296	100.0
289.08212	3.8
321.94379	0.9
358.10522	1.4
368.09140	1.1
370.10458	2.0
373.12909	1.1
492.16382	1.0
769.25537	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	813.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66023	1.3
59.01376	98.9
62.08508	1.4
64.35861	1.3
71.01366	25.9
73.02932	94.0
76.29671	1.5
83.01372	21.3
85.02933	3.5
89.02425	13.0
95.01457	2.2
101.02425	57.6
113.02429	19.9
119.03432	5.2
131.03479	2.8
143.03484	1.8
149.04483	2.6
161.04535	6.5
199.66408	1.5
266.96924	1.5
391.69263	1.6
408.74899	1.5
665.31128	5.3
683.32709	10.5
725.33893	100.0
813.31079	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	813.516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83527	0.2
87.13466	0.2
91.94090	0.2
119.18948	0.2
131.55687	0.3
299.20163	100.0
310.17371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08261	0.8
87.00874	1.0
131.53857	0.8
134.12083	0.9
150.03667	0.7
156.08188	8.2
158.06146	1.8
158.33115	0.7
172.07660	23.5
172.76390	0.9
174.05461	1.4
200.07152	24.6
202.05101	54.6
218.08148	4.1
262.07190	100.0
312.70575	0.7
348.73807	1.0
390.80487	0.9
485.03619	1.0
538.03015	0.9
769.14819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.0
60.36436	1.8
61.24558	1.7
64.89681	1.9
66.25661	1.8
71.01376	11.0
73.02938	9.8
75.85011	1.9
87.00883	2.1
89.02448	8.6
91.47948	1.9
99.00889	3.6
101.02421	17.7
113.02425	13.9
131.03505	7.5
137.65062	2.3
151.03983	4.1
154.61047	1.9
161.04503	4.8
164.04790	3.2
165.05540	3.7
166.06306	17.1
173.60669	2.1
177.73735	2.3
179.07062	16.9
181.04886	2.5
187.49434	2.1
197.56747	2.2
210.51353	2.9
224.06906	2.8
225.05553	3.9
225.07690	89.1
231.99805	2.0
239.09177	9.3
241.60158	2.1
260.41446	2.2
299.19437	2.1
389.57089	2.3
504.78680	2.2
742.42731	2.5
771.27222	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	815.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99596	6.2
59.01394	1.5
71.96325	1.3
79.08122	1.4
89.10741	1.1
102.98581	100.0
105.46793	1.3
120.99615	1.6
135.04507	19.7
138.45906	1.4
151.07663	1.5
163.00658	12.0
213.07629	7.1
334.17612	7.3
413.74374	1.3
466.36130	1.3
470.22919	19.0
471.23431	1.6
634.55280	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	815.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	87.2
64.12251	2.8
71.01370	79.2
72.99316	3.3
73.02939	18.1
83.01368	8.2
85.02950	24.9
87.00849	17.4
89.02426	100.0
95.01388	5.4
97.02933	7.1
99.00887	8.2
101.02429	88.9
113.02424	56.0
119.03484	39.7
125.02425	29.1
129.09123	4.5
131.03479	18.4
135.11763	5.9
143.03482	14.5
161.04564	32.2
179.05573	14.7
196.30212	4.4
221.06631	21.7
243.15979	5.1
245.06802	3.7
263.07651	3.9
323.09729	12.3
333.11682	4.1
711.30902	90.1
729.31781	46.4
771.33148	76.3
815.34491	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	815.356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.1
61.24190	0.4
80.59390	0.4
92.20004	0.7
96.95972	0.6
97.06568	1.8
100.82377	0.5
102.98606	0.8
107.17822	0.4
122.92416	0.5
123.08141	20.5
125.09700	15.7
133.06569	1.8
141.09225	2.1
151.07625	25.9
167.07120	0.9
169.08682	18.1
177.01927	1.0
195.06586	5.1
213.07680	100.0
382.13248	0.6
778.87970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97094	1.4
60.67696	1.3
68.63393	1.3
74.02474	2.3
83.00540	1.2
92.19975	1.4
96.04548	1.7
141.05806	2.0
155.05821	1.5
185.04793	1.7
186.05618	6.6
203.08267	2.5
297.16302	1.7
326.18616	9.0
357.16867	2.6
372.19269	6.1
474.22614	1.9
486.22760	8.3
501.25089	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	815.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	60.1
66.07597	2.8
69.14272	3.1
71.01373	56.7
73.02937	7.7
83.01403	3.3
85.02953	20.0
87.00803	4.3
89.02422	50.4
101.02421	55.3
104.58828	3.1
113.02419	32.4
119.03473	15.1
125.02426	13.1
131.03491	4.7
143.03455	4.4
161.04546	18.2
172.30070	3.4
216.87761	3.3
221.06705	6.1
225.58188	3.3
295.20331	5.7
337.22363	6.6
392.69031	3.1
458.50873	3.8
704.93994	3.3
815.39136	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	816.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.3
71.01360	6.3
76.57005	2.8
87.88857	3.0
105.58288	3.2
115.00343	18.5
136.04033	100.0
137.02422	13.1
164.07191	4.1
208.06104	4.8
234.03903	2.7
251.36514	2.7
252.05132	84.9
353.06711	13.7
383.07507	10.2
443.60904	2.9
495.21298	3.3
563.13806	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	817.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89796	0.7
57.00032	0.7
58.57922	0.8
59.01371	4.0
59.85313	0.7
64.17793	0.8
65.95039	0.7
66.90447	0.9
69.06957	0.7
70.14153	0.8
71.01370	3.2
73.02936	1.8
89.02428	3.8
101.02437	4.4
101.82125	0.8
113.02425	1.5
123.00860	4.3
131.03572	1.0
138.03229	14.0
153.05569	12.6
166.99850	10.9
182.02208	97.8
186.49037	0.8
188.21942	0.8
194.05937	1.0
196.03796	1.4
197.04562	100.0
209.08157	3.5
604.64941	1.0
627.03235	1.0
764.93756	1.2
773.25122	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.9
71.01369	2.5
76.14677	1.2
79.93510	1.1
83.55576	1.1
85.00997	1.1
89.02434	1.3
101.02412	2.8
110.74644	1.2
113.02450	2.3
123.00880	5.7
138.03239	14.0
153.05566	12.7
161.47369	1.3
166.99878	7.0
182.02216	79.4
194.05873	1.8
196.03748	6.3
197.04555	100.0
209.08212	2.0
210.68622	1.3
211.06133	9.7
666.67792	1.4
773.25116	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	817.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99603	6.0
59.01356	1.6
72.13235	0.4
74.99094	1.0
78.24379	0.4
84.08298	0.4
102.98586	100.0
109.65903	0.4
120.99613	4.1
121.02911	0.7
124.03968	0.7
135.04515	1.9
136.04001	0.4
139.07047	0.4
163.00700	17.3
163.03979	0.6
163.22754	0.4
185.74777	0.4
187.27101	0.5
227.84494	0.4
261.49475	0.4
300.05548	1.9
308.19766	7.4
345.39182	0.4
350.20782	3.3
402.15149	0.4
472.24509	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72726	1.6
59.01381	29.6
71.01382	21.1
71.16208	1.7
73.02943	7.9
80.15305	1.7
85.02937	10.3
87.00860	8.1
89.02417	22.4
89.06878	1.9
101.02436	26.5
103.03999	8.9
113.02431	14.1
119.03529	6.8
123.48260	2.0
125.02432	4.6
129.48413	2.0
131.03499	3.4
161.04547	8.7
163.53798	2.4
221.06651	3.6
227.16504	2.7
233.44290	1.9
245.17535	10.3
283.71252	1.8
341.10574	2.1
389.21790	22.8
407.22849	21.4
442.39703	2.4
449.23822	3.0
454.31302	2.3
676.08105	2.2
692.98047	2.6
749.87811	2.4
773.34515	100.0
817.33575	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	817.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	35.7
60.81429	5.5
67.98452	7.0
71.01376	36.3
72.40071	6.0
73.02901	7.7
76.46072	6.3
77.17208	6.4
89.02448	70.3
92.19284	14.3
101.02439	63.1
113.02410	26.6
119.03484	29.5
123.04716	7.1
131.03499	15.2
145.57794	6.8
149.85548	6.8
156.11406	6.1
161.04558	10.4
179.05550	11.9
221.06651	26.3
287.20148	7.6
313.17712	7.4
331.19125	11.6
427.29459	8.3
817.34857	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	817.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	4.9
59.01377	100.0
61.50064	3.8
89.02425	5.1
96.11830	4.3
118.91830	3.6
122.88756	4.2
128.18121	4.3
141.01686	66.5
275.13403	4.4
277.21762	7.5
359.21973	7.1
397.13251	9.6
675.36029	5.8
697.34314	21.9
849.09070	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	817.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29729	6.3
59.01371	100.0
60.02922	7.5
69.49731	6.3
73.15321	7.0
89.02434	7.2
97.96706	8.4
108.61370	7.5
141.01692	61.2
206.43146	8.5
229.21582	7.6
277.21683	12.5
289.87280	8.5
345.60513	8.1
397.13284	12.1
431.08679	9.1
661.32043	9.8
697.35083	14.2
788.36603	9.5
819.79352	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	817.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.9
71.01379	13.2
72.99301	3.4
73.02936	2.6
75.00858	22.5
78.08967	2.3
85.02939	28.1
87.00853	20.4
95.01353	4.1
97.06586	3.0
99.00871	11.8
101.02441	3.8
111.04424	2.8
112.05275	4.1
113.02435	32.5
121.02908	18.9
122.03751	4.2
130.99901	4.7
145.08688	3.4
147.04489	13.8
191.03435	4.6
261.11505	3.2
287.40466	2.7
291.08621	13.6
349.09204	3.7
351.10831	71.2
458.30145	2.6
461.32382	4.7
467.21094	5.0
479.33722	4.9
623.37842	5.8
636.92816	2.7
641.38428	4.9
817.42352	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	817.455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66430	1.7
59.01378	69.3
60.82643	1.5
79.28434	1.4
91.30320	1.7
116.92844	20.8
126.30575	1.9
149.09679	2.3
163.11310	20.0
191.14362	12.1
217.12288	2.3
234.97592	9.1
235.13411	100.0
241.67569	1.9
247.14552	2.4
522.23865	4.1
567.29858	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	818.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92541	12.7
63.11591	12.5
88.92332	12.3
91.06274	13.0
93.32659	13.3
105.91085	13.5
106.79533	15.2
107.11610	18.7
110.81168	14.2
125.99093	13.8
262.01196	14.6
623.78424	17.0
782.51495	100.0
818.49683	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62791	0.7
65.05505	0.7
66.96301	0.8
75.67951	0.7
90.16041	0.7
108.02151	7.3
109.02940	4.7
109.08453	0.7
113.41757	0.8
122.77035	0.7
124.89788	0.8
130.09886	0.7
133.02957	0.9
135.04514	17.5
152.01135	17.5
153.01938	9.0
161.02429	67.0
179.03491	70.0
179.05577	3.5
183.52867	0.7
222.91963	1.0
315.07196	21.0
323.07703	4.3
341.08786	59.0
356.80219	0.8
503.14093	100.0
697.13080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.4
65.74516	0.6
74.60839	0.5
78.59007	0.5
81.85287	0.5
82.96517	0.5
90.75850	0.5
101.02394	0.8
118.44172	0.7
132.02127	4.9
134.03729	10.3
149.06058	4.1
160.01645	71.6
161.02402	4.7
165.43042	0.6
175.03990	100.0
178.02748	1.9
179.03416	0.7
193.05042	16.5
233.67404	0.7
235.85226	0.6
250.20760	0.6
254.59985	0.6
265.06998	0.8
326.14307	0.6
327.22308	0.6
337.09225	0.8
643.18768	1.1
661.13477	0.6
759.21155	2.7
777.22784	3.2
819.23492	40.8
844.61908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	51.6
71.01375	55.8
73.02945	21.8
78.82404	3.7
85.02926	16.1
87.00866	6.1
89.02431	59.5
97.02945	7.0
99.00874	9.1
101.02434	71.4
109.63408	3.6
113.02433	37.3
119.03509	22.5
125.02445	27.4
131.03445	14.8
133.83884	3.4
143.03471	7.8
161.04507	24.6
179.05589	6.6
221.06696	18.6
267.75192	4.1
324.33505	3.8
356.79901	5.0
715.26947	37.6
733.27911	8.8
775.28662	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	819.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	51.3
71.01376	63.3
73.02936	23.1
76.50953	2.3
83.01374	3.4
85.02938	17.8
87.00871	14.4
89.02431	80.4
94.81067	2.4
95.01382	2.7
96.95991	3.5
97.02955	3.6
99.00883	4.5
99.06622	2.4
101.01792	3.7
101.02431	77.2
113.02431	49.1
115.83884	2.3
119.03474	27.1
125.02419	25.9
131.03490	17.5
143.03490	13.5
157.72307	2.4
160.89987	2.4
161.04553	31.0
161.47552	2.4
167.03387	3.3
179.05563	21.5
203.05623	3.2
215.04863	2.6
221.06615	27.2
229.80347	2.4
245.06612	4.9
303.48068	2.5
327.66092	2.5
383.11774	11.1
715.26624	53.3
733.27838	30.7
775.28833	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	819.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
70.84491	2.6
85.02940	4.3
137.02434	21.1
161.68170	2.8
166.02722	23.5
181.05055	100.0
201.48167	3.2
342.11087	25.3
353.59616	4.0
357.13437	82.9
387.10712	4.2
402.13254	18.8
405.15540	5.2
417.15582	27.0
435.16684	36.2
539.31970	3.1
597.21948	71.1
751.56226	3.4
850.52020	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	819.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	99.8
71.01376	10.1
73.02930	10.0
73.96413	3.9
79.10596	3.6
79.99425	4.9
87.00878	5.4
89.02409	9.7
95.20821	4.6
101.02412	10.5
113.02401	16.9
116.39796	4.1
153.45708	4.3
154.31339	4.2
215.09314	5.1
231.45395	4.2
257.10300	5.7
257.28986	5.1
257.63242	4.2
345.11127	7.8
429.21246	100.0
624.04108	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	819.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
59.98508	2.0
62.07621	0.4
63.63924	0.4
92.64616	0.5
97.02937	15.7
98.03714	7.6
99.04533	0.8
116.92821	2.3
201.10345	2.6
202.11092	0.7
202.35210	0.5
215.46077	0.5
217.13441	7.5
226.12361	0.8
241.13387	1.0
255.15031	2.1
256.15799	6.0
271.18158	7.5
300.14798	49.3
315.17163	100.0
341.14194	0.7
477.22400	1.1
657.32092	2.1
738.49396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
67.84809	3.7
71.01380	4.3
89.02406	5.0
92.19439	4.5
93.81093	4.3
123.50219	3.7
141.01704	69.1
161.51234	4.4
279.23233	19.5
361.23724	7.1
397.13589	5.4
513.83087	4.1
677.37134	8.8
699.35638	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	821.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	55.6
63.55156	3.7
71.01373	63.4
73.02932	21.6
83.75970	3.5
85.02950	17.8
89.02438	82.8
96.95976	6.6
101.02430	80.0
106.19890	4.0
113.02438	48.6
119.03496	41.2
125.02422	15.6
131.03500	24.6
143.03477	9.4
161.04518	32.6
170.55550	4.0
173.75671	3.8
179.05629	42.1
183.70773	4.0
205.15829	5.2
221.06717	35.2
249.15022	67.9
317.21167	6.3
323.09891	19.4
341.10812	39.2
383.11798	18.1
492.18506	4.5
615.26855	18.8
661.07721	4.8
777.31689	22.0
821.38220	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	821.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01379	36.6
63.49895	0.8
65.37063	0.8
65.58678	0.8
69.03401	0.9
70.87195	0.8
71.01372	30.2
72.54052	0.8
73.02939	11.0
81.03450	1.7
83.01373	2.1
85.02951	12.3
87.00872	3.3
89.02444	24.0
95.01376	1.4
95.06889	0.8
97.02903	1.2
99.00860	4.8
101.02431	33.8
111.00857	1.4
113.02428	20.6
119.03483	7.3
125.02430	8.2
131.03485	5.0
143.03479	7.7
159.02980	1.4
161.04544	16.6
179.05586	2.2
218.69678	1.0
221.06677	4.9
249.14967	3.9
302.47940	1.0
343.94940	0.9
367.21234	4.6
411.20300	1.9
490.46088	1.0
777.31952	100.0
849.17957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.24542	0.7
67.71751	0.7
71.01381	14.7
73.02935	11.0
75.00854	1.3
83.01369	1.6
85.02942	5.0
89.02427	11.0
97.02956	1.5
101.02427	18.5
101.03022	1.4
113.02419	11.3
119.03484	5.9
143.03487	1.1
145.02962	1.1
149.04582	1.6
153.81831	0.8
161.04602	6.0
166.15901	0.9
303.14117	1.0
349.09000	1.5
377.99225	0.9
387.20309	3.9
429.21344	61.3
649.16913	1.0
777.31641	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	821.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.4
57.20899	1.3
57.95302	1.4
59.01083	2.6
59.01380	63.7
71.01373	64.1
72.99283	1.6
73.02942	18.1
81.03436	1.9
83.01378	7.7
85.02944	20.1
85.03764	1.9
87.00869	8.5
89.02432	79.6
95.01382	2.7
97.02940	8.9
99.00868	3.7
101.02435	80.9
101.03099	3.0
111.00862	2.8
113.02430	43.2
119.03483	31.5
120.08522	1.5
125.02419	11.4
131.03487	14.8
143.03516	11.6
148.56390	1.6
159.03024	2.8
161.04543	22.2
179.05597	21.1
203.05624	1.8
221.06737	14.2
231.13934	6.7
249.14937	57.9
305.08685	3.0
323.09744	10.7
341.10956	3.8
373.77716	1.7
383.12299	1.7
411.20322	2.1
466.27405	2.2
501.23022	2.6
573.25281	3.1
615.26801	6.5
777.31897	27.2
789.03540	1.6
814.72015	2.3
821.38300	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	821.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.2
66.01513	0.7
68.68308	0.8
71.01373	27.8
72.99306	1.4
73.02930	8.0
75.72758	0.7
83.01355	1.8
84.38467	0.7
84.91813	0.9
85.02934	8.5
87.00850	1.5
89.02428	26.7
92.19451	1.3
95.01322	1.1
97.02921	1.7
99.00859	3.0
101.01794	1.5
101.02430	31.0
107.20927	1.0
111.00856	1.8
113.02419	17.7
119.03458	8.9
125.02417	5.2
131.03448	1.8
133.42688	0.9
141.01976	1.1
143.03484	4.6
161.04552	9.7
179.05568	3.1
221.06693	5.2
245.06593	3.4
288.15448	0.9
335.22272	17.2
344.37869	0.8
387.84442	1.1
497.27505	20.5
778.36902	1.0
807.88568	1.0
821.38190	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	821.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	16.2
59.68885	4.3
60.20163	3.3
69.99828	3.7
71.01373	27.1
75.28578	3.1
82.50393	4.0
89.02441	24.0
92.20056	7.3
96.40298	4.1
97.02951	4.2
101.02421	31.7
113.02428	7.7
143.03532	4.8
226.72935	3.5
229.77902	3.9
257.91467	3.4
261.50525	4.0
335.22372	29.4
497.27643	29.3
821.38202	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	821.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.0
71.01373	29.7
73.02942	6.6
83.01376	2.5
85.02940	5.6
85.32220	1.4
87.00871	2.5
89.02427	31.9
95.01383	1.7
97.02930	2.5
99.00884	1.5
101.02428	35.5
104.19135	1.5
111.00842	2.0
113.02424	18.7
116.60465	1.7
119.03455	11.8
125.02387	6.4
131.03453	6.5
143.03468	2.6
161.04517	12.2
179.05553	2.9
221.06627	9.1
249.15004	1.9
264.81323	1.5
317.21323	7.7
335.22302	18.0
374.48114	1.7
497.27567	15.1
533.33527	1.8
606.87451	1.4
623.07330	1.4
725.68597	1.5
777.31915	6.7
821.38287	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	821.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	43.1
62.33070	3.0
69.03404	3.6
71.01371	52.9
73.02933	6.1
73.83191	3.9
83.01462	3.7
85.02923	19.1
87.00872	5.3
87.14623	3.3
89.02425	41.8
97.02971	3.6
100.38270	4.1
101.02435	51.2
113.02442	31.7
119.03471	25.0
121.52368	3.8
125.02431	15.2
131.03502	8.6
133.12083	3.8
141.35832	4.0
143.03453	6.0
153.16759	3.6
161.04536	19.4
179.05644	6.0
202.40422	3.7
221.06700	17.9
317.20987	4.0
334.10629	4.0
335.22253	20.9
358.62943	4.0
359.21402	4.2
497.27475	21.0
777.32227	47.6
821.38257	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	821.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46227	1.1
59.01379	34.9
73.22704	1.2
75.17963	1.2
77.16808	1.0
82.73582	1.1
101.06069	100.0
107.99460	1.3
435.55005	1.2
688.41840	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	823.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.6
71.01376	6.2
73.02930	6.0
75.00858	3.2
85.02922	6.7
87.00860	24.1
89.02414	3.4
89.85419	1.4
95.86408	1.4
97.06570	8.5
101.02438	6.3
107.04975	5.7
111.04482	2.7
112.05271	6.7
113.02425	15.8
119.03561	1.4
119.05049	12.2
121.02927	26.4
122.03698	9.0
130.99841	9.5
145.02827	2.4
147.04489	20.3
148.05257	1.7
161.04524	2.1
163.03970	7.5
191.03479	9.2
192.04218	2.9
194.02225	2.6
201.09125	2.1
219.10150	3.4
243.10023	2.2
245.11719	2.0
254.04305	2.6
261.11304	2.6
263.12729	1.8
289.10889	6.8
291.08755	18.7
303.90814	1.6
349.09470	1.8
351.10834	100.0
367.09872	1.5
441.30753	1.4
524.06982	1.4
779.33148	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	823.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	32.9
67.86684	1.4
71.01376	20.6
72.99298	3.2
73.02942	3.2
74.47708	1.3
75.00855	18.3
83.01365	1.7
85.02939	36.7
87.00859	12.0
89.02447	6.9
94.38690	1.4
95.01352	3.4
96.95966	7.0
97.06609	1.5
97.71012	1.4
99.00870	11.1
101.02451	12.5
111.00832	6.1
113.02428	45.2
113.43652	1.5
115.00342	2.4
117.01913	3.3
119.03480	3.8
121.02919	6.5
129.01904	2.3
147.04520	2.2
163.03964	1.8
201.09157	1.5
226.53522	1.6
239.05527	2.0
244.09601	1.9
351.10895	26.4
468.49438	1.9
514.66327	1.6
779.33417	100.0
832.74457	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	823.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21320	0.2
62.62514	0.2
78.99409	0.2
85.57518	0.2
90.75216	0.2
92.19387	0.2
94.50909	0.2
135.04527	3.5
207.11371	0.3
232.77211	0.3
249.12439	100.0
267.54846	0.3
336.04010	0.3
403.08032	0.2
411.17743	32.2
508.84680	0.2
649.45197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
68.20621	0.5
92.19344	1.1
119.18957	0.6
146.13940	0.6
175.09996	0.6
181.15985	14.0
198.18683	0.8
224.16525	4.6
225.14952	32.1
241.09082	2.4
242.17621	100.0
243.16043	3.9
356.84015	0.6
375.62964	0.8
437.08026	0.7
462.58435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.4
65.97600	3.4
71.01383	26.4
72.99297	24.4
83.01382	4.7
85.02929	28.2
87.00857	5.3
89.02435	13.2
95.01401	3.8
96.95997	44.9
97.02914	5.4
97.50220	3.7
99.00847	18.4
101.02419	7.5
106.95730	3.5
113.02421	73.4
114.01903	3.5
129.01923	7.7
131.03484	15.0
138.14865	3.9
157.01352	4.4
173.04512	28.0
191.05630	5.4
217.03477	5.4
232.94664	3.6
367.08868	47.1
493.95020	3.9
494.96478	3.7
502.91989	3.8
825.21680	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	825.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	5.0
59.01375	0.9
65.98189	0.6
67.19420	0.6
70.02979	7.8
71.01356	1.5
71.47433	0.6
72.30670	0.8
74.02460	36.7
79.16735	0.7
79.25150	0.7
89.02412	1.6
91.14091	0.7
96.95972	0.9
98.02477	6.0
98.02998	0.7
101.02414	0.9
113.02408	1.6
116.03526	20.7
116.05018	6.0
125.02369	0.8
130.06535	0.7
154.82074	0.8
159.09271	4.0
183.09241	1.4
186.05550	0.7
201.10281	6.2
203.08266	79.3
210.25854	0.7
245.09297	100.0
289.08356	4.2
298.38809	0.7
343.12173	0.7
371.62247	0.7
535.18091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	4.0
59.01354	1.1
69.76445	0.8
70.02966	8.1
72.04527	1.8
74.02463	35.0
88.33048	0.8
90.93005	0.9
96.96006	4.9
98.02457	7.3
116.03521	21.9
116.05019	8.1
149.28625	1.0
159.09247	1.5
180.96988	0.9
192.43925	0.9
201.10310	5.4
203.08257	70.7
215.66713	0.8
245.09300	100.0
289.08423	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	825.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	47.7
71.01375	10.0
73.02937	21.6
83.01376	4.4
85.02933	5.4
89.02425	5.1
96.96002	0.9
101.02430	19.5
102.98563	1.3
107.30324	0.7
113.02445	8.3
119.03476	1.6
121.06574	100.0
125.02404	1.0
131.03505	1.1
137.09692	4.3
139.35042	0.8
142.31578	0.6
143.03537	1.2
149.04527	4.1
153.96724	0.6
161.04530	8.4
189.12845	0.9
203.05576	3.0
221.06641	7.1
271.10562	0.7
325.12903	15.9
398.65549	0.7
411.20212	9.5
435.78580	0.7
463.37888	0.8
520.21051	0.7
590.23792	0.9
743.23199	0.7
849.27094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12381	1.2
59.25476	1.4
66.35716	1.4
75.09489	1.4
89.02423	1.5
92.19370	3.3
123.02480	1.6
156.08165	7.6
158.06050	2.1
172.07666	20.8
200.07185	24.6
202.05118	52.3
218.08273	3.5
262.07190	100.0
502.81683	1.7
637.24487	1.6
650.16266	1.5
726.86914	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	825.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	87.1
71.01373	16.2
71.89345	0.5
72.99310	0.5
73.02944	6.8
75.60889	0.5
83.01382	2.9
85.02950	5.6
87.00868	1.0
89.02424	10.1
93.32021	0.6
95.01366	1.0
99.00877	1.2
99.04539	0.6
101.02422	20.1
107.55699	0.5
113.01754	0.9
113.02424	11.3
113.06076	0.7
119.03508	3.5
119.05013	1.1
125.02348	0.6
143.03458	1.3
145.05066	0.7
151.11273	2.2
159.02953	2.5
160.08907	0.6
161.04556	9.5
163.11295	1.2
177.12906	0.6
181.12346	6.3
189.12808	4.9
201.12874	1.3
207.13919	2.2
211.70769	0.5
217.07234	0.7
219.13885	15.3
225.14758	0.7
230.12729	0.5
233.15443	0.8
235.08220	4.8
237.14883	1.0
245.10777	0.6
255.16069	0.9
321.17136	2.1
334.72733	0.6
399.20251	25.4
417.21329	10.1
455.18039	0.6
459.22385	100.0
503.21564	1.2
551.78888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98899	1.0
59.01082	2.2
59.01377	60.8
63.19812	1.0
71.01371	41.4
72.99299	1.8
73.02939	13.9
75.00885	1.4
83.01369	7.2
85.02934	17.6
87.00859	9.6
89.02428	42.9
95.01363	4.7
96.96021	1.2
99.00861	4.1
101.02428	49.9
113.02429	33.5
119.03473	17.1
122.54310	1.2
125.02414	1.8
131.03453	1.7
143.03484	8.5
161.04520	10.4
179.05623	10.3
250.35234	1.1
253.18102	5.2
323.09851	26.4
341.10867	71.0
383.11975	32.9
397.22153	21.1
413.33859	1.2
415.23386	100.0
457.24411	32.0
721.32611	13.4
739.33917	6.8
781.34833	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
76.15742	0.4
79.49159	0.4
97.02936	3.2
98.03714	1.9
117.13227	0.4
122.03705	2.0
134.03748	0.5
136.01630	1.7
137.02429	2.5
146.90811	0.4
152.04750	1.8
166.02711	2.7
176.15018	0.4
178.02644	3.0
179.03464	2.1
181.01485	2.9
191.01405	0.4
193.05093	0.8
195.02983	0.9
196.03792	9.3
198.01755	1.5
201.10347	1.9
209.04590	0.5
210.05370	0.5
212.03192	0.7
217.13452	1.8
226.12384	0.7
228.02791	3.2
242.04411	0.7
255.06548	0.5
256.15970	0.7
258.09027	1.6
270.09015	2.3
271.18121	0.8
273.11380	2.2
285.07755	1.8
285.11118	0.5
300.14764	11.5
302.07959	0.9
303.12286	0.5
314.08087	1.7
315.17181	14.8
317.10284	9.1
329.10327	9.4
332.09064	0.9
347.11368	100.0
509.16562	6.8
539.45282	0.5
825.35663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85588	1.0
61.12859	0.8
73.23031	0.8
130.06636	1.0
156.08157	10.3
158.06093	3.3
172.07658	26.4
174.05573	3.7
186.32193	1.0
200.07161	23.4
202.05101	65.6
218.08208	4.7
244.06049	1.3
244.44408	0.8
262.07190	100.0
263.07504	1.5
475.06833	1.1
475.49634	1.3
567.64648	0.9
698.03754	1.0
738.57111	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	826.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
63.56948	0.7
65.11802	0.7
65.71219	0.7
71.01360	1.7
89.02406	0.9
298.52356	0.8
516.43921	0.8
628.07501	0.9
677.61530	0.8
826.55811	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	827.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54582	0.4
60.60491	0.4
73.58274	0.4
78.95895	5.7
79.33543	0.4
79.95732	1.1
96.95992	100.0
96.96909	13.5
112.25165	0.5
211.89507	0.4
263.96597	0.5
320.57208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	4.5
58.59312	0.9
59.01371	1.2
70.02958	7.5
70.65181	0.9
72.04532	1.1
74.02466	32.1
89.02433	1.1
98.02466	7.5
108.28577	1.0
111.90645	1.1
116.03523	18.8
116.05020	5.5
159.09241	1.7
165.35400	1.0
182.95241	1.0
187.82932	1.1
201.10358	5.2
203.08270	70.7
245.09300	100.0
289.08466	1.8
634.67517	1.2
783.23132	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	827.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	3.6
59.11584	1.3
64.72327	1.7
65.99944	1.8
70.02967	8.4
74.02468	34.9
98.02454	6.3
116.03504	18.5
116.05055	7.9
131.78806	1.4
144.52261	1.5
147.55518	1.5
180.52122	1.7
201.10318	3.8
203.06468	2.8
203.08260	67.5
206.63283	1.8
245.09288	100.0
253.86946	1.5
289.08313	2.4
321.10968	1.6
397.16611	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	827.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	33.1
69.03471	1.8
71.01375	34.8
73.02937	14.7
77.13035	1.8
83.64732	1.8
85.02948	2.5
87.00849	7.3
89.02425	36.4
95.01389	1.9
96.95976	2.9
97.02940	3.8
99.00852	2.3
101.02435	42.2
113.02438	25.2
119.03506	18.2
125.02424	4.4
125.45746	1.9
131.03458	10.6
143.03517	7.3
147.78809	1.9
148.72632	1.7
152.83046	1.7
159.03024	2.2
161.04561	17.3
175.14926	18.7
179.05576	2.9
207.13945	2.2
221.06621	15.6
245.09276	3.0
323.18698	2.4
323.24033	2.1
723.33612	2.4
783.33026	100.0
827.35449	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	827.319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88553	7.5
59.01381	87.0
60.53561	8.6
71.01362	68.8
73.02937	14.5
83.01388	12.7
83.77018	8.8
84.94840	9.1
85.02921	15.5
87.00877	9.6
89.02414	85.2
92.19318	10.2
96.95996	9.9
97.02945	11.0
101.02476	62.3
113.02423	66.9
119.03472	22.2
123.04533	8.5
125.02435	17.3
161.04495	15.1
166.45255	9.4
181.27510	9.5
185.75063	8.3
249.73602	9.6
346.24738	9.7
351.18091	16.4
369.07864	9.5
627.82050	10.9
723.30762	48.0
741.31854	17.3
783.32910	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	827.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	26.0
71.01372	30.0
73.02952	4.0
73.89600	2.4
85.02929	5.1
89.02423	31.1
92.19936	4.4
101.02431	34.4
111.00890	2.9
113.02457	29.9
119.03477	18.9
125.02417	2.9
127.07639	2.7
131.03455	15.2
139.07623	3.7
143.03461	3.2
149.09677	16.5
161.04536	19.3
173.08165	49.6
179.05655	3.8
201.07607	3.1
203.09233	13.0
221.06639	13.5
245.77368	3.1
349.26657	2.9
429.54471	3.7
469.89386	3.2
827.35864	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	827.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	26.0
62.31991	2.3
71.01371	30.3
73.02920	8.2
85.02943	9.0
87.17886	2.3
89.02421	23.8
97.24362	2.5
99.04516	35.4
101.02438	35.0
110.21119	2.3
113.02436	17.1
119.03464	12.3
125.02443	2.8
136.77269	2.0
138.31342	2.1
146.26479	2.1
155.24551	2.2
161.04517	11.7
203.95938	2.3
221.06628	4.4
354.65790	2.2
374.33405	2.9
576.72260	2.4
644.61597	2.6
777.17548	2.6
827.44507	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	827.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46701	4.0
57.73581	3.8
59.01369	32.0
71.01369	18.4
73.02930	9.7
82.99972	3.6
85.02930	9.5
89.02422	16.8
99.04491	29.0
101.02440	37.1
110.05555	4.6
113.02434	9.2
113.07111	4.2
121.61246	4.2
150.16054	4.7
164.76711	4.2
177.29951	5.5
177.75780	4.8
185.98108	5.3
399.34344	4.6
697.86841	4.7
827.44592	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	827.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27258	0.4
61.18771	0.4
62.69624	0.4
64.64817	0.5
74.87548	0.4
81.50575	0.4
87.00832	0.6
95.64704	0.5
116.05078	0.5
130.06595	1.0
156.08171	10.1
157.05298	0.5
158.06097	2.5
172.07655	24.4
173.07959	0.5
174.05580	3.2
200.07167	26.1
202.05095	59.1
203.05473	2.3
218.08282	5.4
244.06117	2.0
262.07187	100.0
263.07477	3.2
297.11609	0.7
326.46805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05915	0.4
69.51054	0.5
73.90292	0.5
87.00843	0.9
130.06560	0.7
156.08182	11.2
156.67856	0.6
157.08461	0.7
158.06117	2.7
172.07664	29.2
172.09143	1.2
173.07999	3.0
174.05571	2.9
200.07176	25.8
201.07440	2.7
202.05092	59.0
203.05479	6.5
218.08202	4.1
244.06183	1.2
245.06578	0.7
262.07184	100.0
263.07483	12.1
292.19943	0.7
318.37021	0.6
323.74823	0.5
498.61868	0.6
588.58838	0.6
657.17749	0.7
739.47949	0.6
810.12537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	17.0
71.01365	19.8
73.02940	3.8
74.02448	12.3
77.26339	2.1
85.02937	3.7
89.02427	21.5
101.02434	12.5
105.14824	2.3
113.02422	10.7
116.03471	3.1
116.73322	2.3
119.03466	3.8
131.03477	3.8
141.94118	3.3
149.02393	16.6
152.01103	6.0
161.04564	5.3
162.03200	11.2
164.04778	42.7
177.05560	6.1
179.05598	9.7
179.07109	14.6
189.45154	2.5
193.01456	12.5
193.54018	2.6
197.04572	5.2
201.10231	3.1
203.08249	28.0
208.03758	96.5
221.06676	12.3
223.06093	100.0
245.09337	30.4
246.09712	3.0
255.49655	2.6
263.07642	6.1
597.15833	2.8
785.25018	51.7
788.40796	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	829.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
59.76225	0.7
60.04163	0.6
62.08594	0.6
62.47786	0.6
68.99162	0.7
71.01360	1.2
89.02441	4.0
101.02403	2.9
103.51218	0.7
109.60396	0.7
113.02460	0.9
117.03432	0.8
119.03514	1.2
119.05009	6.2
120.79890	0.7
133.02898	4.7
135.04501	19.1
161.02428	100.0
163.04066	1.1
179.03487	35.9
179.05769	0.9
221.04518	0.9
227.07025	0.7
251.05548	0.9
255.10257	1.3
305.04468	1.7
323.07901	1.5
325.86526	0.7
373.08655	0.7
415.33142	0.8
485.10812	1.0
503.14072	81.0
536.73010	0.9
644.40173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	3.1
70.02969	13.3
74.02466	35.8
82.94230	1.7
98.02461	4.5
116.03524	22.6
116.05019	8.4
118.41821	1.9
118.42582	2.0
127.18895	2.1
140.59421	2.0
177.05551	7.4
193.05060	8.1
201.10301	4.7
203.08263	69.9
203.10136	3.1
245.09305	100.0
443.47806	2.0
785.24054	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	829.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.3
62.51019	0.5
71.01374	3.7
73.02934	10.9
74.02456	1.5
83.01378	1.0
89.02435	2.5
101.02433	9.0
113.02435	4.5
116.03542	0.8
119.03431	1.2
131.03429	0.6
142.77751	0.6
149.04504	3.0
153.70473	0.6
154.93513	0.6
156.46327	0.6
161.02426	14.3
161.04489	7.1
176.04767	21.3
179.03481	18.3
179.05605	0.9
181.72421	0.7
191.07138	13.5
194.05836	79.9
203.08322	5.2
209.08191	100.0
209.70082	0.7
221.06705	10.3
245.09274	6.7
441.79858	0.6
493.46457	0.7
563.21222	4.5
581.22015	1.0
623.23450	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	829.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.4
71.01380	16.1
73.02928	5.3
83.01365	1.4
85.02924	6.7
87.00866	2.4
89.02425	21.3
96.95992	5.4
97.02921	2.3
101.02435	21.3
109.06589	2.2
111.00820	1.3
113.02426	11.8
119.03468	6.4
125.02409	4.5
127.07552	1.3
131.03471	6.2
133.68491	1.1
139.07648	7.2
143.03516	1.8
161.04543	7.2
173.08206	11.3
179.05592	1.8
186.37209	1.1
197.65395	1.1
203.09253	17.0
219.70015	1.2
221.06691	9.9
247.08215	1.2
275.46289	1.1
296.75330	1.2
302.77185	1.5
307.19009	4.1
325.20117	12.2
327.21777	22.4
337.30682	1.4
343.21310	5.5
466.21948	1.2
487.25562	1.3
505.26300	7.7
607.69312	1.4
829.37177	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	829.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
63.89414	1.2
71.78815	1.3
73.35215	1.2
99.08131	2.5
111.08141	1.6
113.09724	1.8
114.50928	1.4
130.11275	1.3
151.43674	1.4
151.88721	1.4
153.12685	1.8
157.08691	5.9
166.88742	1.5
169.12279	6.4
180.27406	1.5
197.11835	52.4
205.55708	1.4
215.12889	33.1
236.85934	1.4
252.07535	1.7
279.19543	1.9
293.93332	1.5
311.08047	1.4
314.97644	1.4
315.21747	100.0
388.48489	1.3
547.15186	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	831.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	20.8
61.52203	1.4
69.99579	1.5
71.01362	21.5
73.02933	13.1
85.02930	8.9
87.00842	3.6
89.02436	17.0
101.02435	20.1
101.30995	1.8
108.75619	1.8
113.02437	15.5
118.02395	1.6
119.03535	2.2
131.03462	6.9
149.02388	2.0
159.02968	3.8
161.04601	12.3
162.03198	27.8
163.03976	2.1
164.04770	8.5
165.05424	6.0
166.06354	3.0
177.05554	48.6
179.03444	2.1
179.07092	25.6
179.25256	1.7
180.07977	6.7
211.09647	2.3
221.06667	8.6
225.07666	22.2
528.30347	1.7
625.24927	3.0
787.26636	100.0
856.77246	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	831.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90203	2.3
58.13042	2.2
58.79079	2.2
59.01378	27.4
71.01379	13.0
73.02960	4.6
85.02926	3.0
101.02408	6.3
106.79821	2.5
113.02441	5.6
119.22615	2.9
125.49371	2.8
139.10362	2.8
140.78140	2.6
141.51250	2.7
179.05582	5.2
194.05801	3.9
196.07391	4.1
201.07558	2.5
202.05043	10.9
211.09747	41.4
223.06047	4.8
238.08417	14.5
253.10719	3.9
262.07208	13.4
340.11636	15.7
355.13840	37.5
358.12732	3.8
373.15012	37.7
551.54370	2.6
565.22827	4.8
583.23590	5.3
625.25049	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	831.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	29.1
62.60453	1.1
69.58553	1.4
71.01355	11.1
73.02937	20.3
74.02448	1.6
79.27565	1.4
83.01376	1.9
85.02918	1.8
88.71127	1.3
89.02426	8.3
92.19374	1.8
101.02399	15.4
113.02448	11.7
116.03454	1.7
149.04578	2.5
161.04524	7.9
179.05576	7.5
181.05055	26.1
196.07391	100.0
197.04536	6.2
203.08238	2.8
209.08095	1.5
211.09746	81.6
214.02925	1.5
221.06633	7.1
245.09291	8.9
246.09689	1.9
371.13617	3.0
404.63242	1.4
439.67459	1.3
466.40073	1.5
537.79193	1.4
565.22742	16.3
583.23273	2.1
625.24994	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
62.54405	0.8
65.40936	0.9
66.91663	1.0
68.05283	0.9
70.84677	0.9
71.01367	7.5
73.02940	6.2
83.01353	1.3
85.02936	6.6
89.02417	1.4
98.04771	1.0
99.00864	1.5
101.02431	18.1
113.02416	9.8
121.95483	1.1
159.02963	1.2
161.04515	11.3
171.13319	0.9
178.02681	1.2
181.01445	1.5
196.03752	3.7
198.01744	0.9
221.43037	0.9
235.11841	38.3
277.12921	35.9
317.10239	4.7
329.10190	3.3
347.11362	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.7
71.01376	39.9
73.02936	10.2
75.07866	2.3
85.02956	5.0
87.00866	4.4
89.02435	57.5
96.95998	10.8
100.43864	2.2
101.02429	51.9
112.66524	2.2
113.02439	24.4
119.03487	27.0
125.02443	8.1
131.03497	19.5
143.03490	7.8
147.78983	2.2
161.04565	27.6
179.05617	15.8
221.06670	27.9
377.14536	2.9
383.11923	18.7
478.88626	2.4
507.60663	2.2
598.38977	2.2
831.31372	100.0
834.09332	2.5
861.23810	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	831.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44247	1.3
97.90829	1.4
107.04989	6.9
118.22311	1.3
133.06589	3.5
149.06082	14.3
177.05565	23.0
179.03499	42.9
195.06602	3.2
205.45499	1.8
221.04579	2.0
239.05621	100.0
449.96548	1.7
540.67859	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	79.6
63.64351	6.6
65.89794	5.5
66.33454	4.7
67.96809	5.7
71.01366	85.4
73.02934	28.4
78.80845	5.6
82.11047	5.2
83.01418	7.9
85.02930	29.7
87.00858	9.2
89.02436	57.6
97.02925	11.2
98.64735	6.5
99.00861	11.2
101.02424	100.0
113.02441	54.3
119.03488	12.4
125.02450	22.2
143.03503	7.8
161.04536	11.7
169.88068	6.2
197.85684	6.1
508.60352	6.2
516.57416	6.5
653.30096	82.5
671.31610	44.0
713.32172	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	94.0
63.01462	3.3
64.35388	3.6
67.71115	4.3
67.93209	4.1
69.03440	4.8
71.01375	93.8
73.02946	32.2
83.01363	8.0
85.02931	32.0
86.71368	4.2
87.00854	6.4
87.98999	3.9
89.02425	76.4
95.01449	4.4
95.22527	4.8
97.02929	9.4
99.00866	16.6
101.02428	96.3
111.00850	9.2
112.01603	4.0
113.02425	58.7
114.03235	4.2
119.03484	21.6
125.02400	30.0
131.03528	7.0
143.03453	8.8
155.03529	4.3
161.04532	19.2
179.05733	5.5
188.17636	4.5
347.20630	5.5
506.80521	4.7
611.34082	4.3
653.30273	100.0
671.31342	61.1
695.31268	6.0
713.32410	90.9
737.33069	4.7
755.33002	5.3
777.22900	4.5
787.35736	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	831.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.9
64.74671	1.5
69.29608	1.5
71.01370	19.5
73.02941	3.4
77.21323	1.4
83.01378	1.8
83.54176	1.8
85.02929	6.3
89.02438	16.5
101.02408	20.8
103.29905	1.6
113.02462	12.7
119.03452	3.9
125.02414	2.7
131.03467	2.4
143.03459	2.7
161.04555	2.8
221.06757	3.3
231.50453	1.8
245.06490	1.8
308.97324	1.5
313.00742	2.0
327.21759	2.3
332.60370	2.1
345.22852	9.1
441.18298	1.7
489.26917	1.8
507.28012	22.7
669.32800	2.1
831.38782	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	831.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	39.5
67.95473	1.7
71.01373	39.0
72.88219	1.7
73.02934	13.4
83.01369	3.1
85.02943	17.1
87.00862	3.1
89.02426	32.7
95.01367	2.0
97.02901	2.7
99.00845	2.8
101.02425	48.3
113.02441	24.4
119.03467	12.5
125.02413	4.7
131.03493	4.2
159.02925	3.1
161.04572	15.9
197.04539	10.7
221.06674	4.2
345.22791	8.5
403.28540	3.2
429.90753	2.1
507.28088	17.0
562.22009	2.9
651.05243	2.7
669.32965	2.3
820.80078	2.4
831.42096	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	831.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.3
60.15017	1.4
70.50953	1.8
71.01370	32.6
73.02940	11.3
83.01373	2.7
85.02940	20.0
87.00843	1.9
89.02428	39.7
92.20000	4.0
99.00846	2.2
101.02421	43.4
102.82581	1.7
112.44594	1.7
113.02416	22.4
119.03465	17.4
125.02409	2.7
131.03432	3.4
141.06079	2.0
143.03464	3.4
161.04527	9.5
183.99254	1.9
221.06653	9.1
327.78134	2.2
347.93970	1.9
416.95013	2.4
831.43793	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	831.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	63.9
71.01379	63.4
73.02956	14.1
79.05133	7.4
85.02930	14.4
85.40318	6.8
89.02411	58.8
99.61696	8.4
101.02438	54.3
113.02420	47.3
119.03467	16.1
131.03477	9.4
161.04543	12.1
199.85941	7.1
259.02652	7.2
330.41348	6.9
421.24640	9.1
787.35480	38.4
790.92340	8.7
831.44598	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	833.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
81.84279	0.7
86.84276	0.8
87.00833	1.0
106.92598	0.8
123.04503	1.2
124.40857	0.9
135.04503	21.3
137.54811	0.7
161.02423	85.0
170.07463	0.8
179.03485	92.1
179.05519	4.6
194.05632	0.9
205.11406	0.9
323.07498	1.0
329.08765	1.6
341.08762	60.9
398.97476	0.8
409.56552	1.0
498.41943	0.9
503.14090	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	833.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.9
61.50567	0.6
70.99609	0.6
71.01373	11.6
72.99304	1.3
75.00864	16.6
85.02940	14.4
87.00400	0.8
87.00842	5.9
89.02411	4.7
95.01372	1.3
95.70930	0.6
99.00848	6.7
101.02431	6.0
103.00372	1.1
107.05023	6.1
113.02433	25.0
115.00342	1.5
119.03442	0.8
129.01839	0.8
131.03458	1.1
133.06567	3.4
149.06062	15.4
157.01408	1.2
159.02953	0.9
161.04533	3.3
173.04568	3.5
175.02402	2.9
177.05559	19.1
178.05930	0.6
179.03493	38.9
180.03778	0.7
183.00217	0.7
195.06606	3.3
219.13864	1.4
235.08121	0.8
239.05614	67.5
240.06071	1.0
241.05875	0.8
263.85208	0.6
528.86639	0.7
593.24536	100.0
641.59143	0.9
777.25446	0.8
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
58.23366	2.7
59.01384	14.8
71.01370	22.7
73.02931	3.1
85.02940	2.6
87.00858	3.3
89.02432	19.2
95.01328	2.9
99.00885	2.7
101.02438	22.6
113.02378	11.5
119.03479	5.0
131.03484	4.7
139.69479	2.5
150.26146	2.5
161.04514	5.4
180.13901	2.6
184.93777	3.0
221.06693	11.2
228.73363	2.6
235.31877	2.6
246.34714	2.7
509.23849	6.0
833.34467	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	833.5873
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59637	1.5
112.07662	9.8
117.87443	2.0
129.10301	10.6
130.08734	13.6
178.74100	1.8
179.54185	1.8
185.51820	1.7
207.15079	2.8
208.13428	2.7
224.17667	3.0
225.16072	34.4
255.65434	1.9
337.25943	2.6
338.24387	10.5
433.31900	1.9
451.32813	2.3
527.79370	2.3
772.56665	2.2
790.58044	100.0
833.58575	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	834.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65866	1.0
91.66654	1.6
91.67252	1.2
92.19309	2.2
121.02999	2.2
122.78329	1.3
123.62987	1.1
138.03197	1.5
149.02359	1.2
150.03194	13.6
151.03947	3.1
153.05537	9.5
164.04752	1.8
165.05559	86.7
166.99875	1.5
180.04268	4.7
182.02211	38.6
195.06647	27.3
197.04556	93.9
239.05452	9.0
249.10054	16.5
264.12363	14.6
300.55826	1.3
301.10773	5.1
345.09827	5.8
393.11993	13.5
402.64099	1.2
451.32193	1.5
511.20044	1.9
541.94000	1.4
555.17212	100.0
649.66418	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	835.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	61.4
63.42412	2.2
64.26478	2.3
69.03464	2.5
71.01368	58.9
72.70458	2.6
73.02955	19.8
73.16911	2.2
77.57472	2.7
85.02934	16.7
87.00858	11.4
89.02440	88.4
90.65470	2.7
99.00844	5.6
101.02431	79.8
113.02433	48.5
115.00342	5.0
119.03474	37.6
125.02412	13.9
131.03517	18.7
133.01418	10.5
143.03481	16.3
155.27620	2.8
161.04526	28.8
179.05606	17.2
186.17871	2.7
206.08255	3.4
221.06665	36.5
323.09772	5.7
335.02109	2.8
383.12112	5.3
392.83282	2.9
552.91895	3.2
687.28601	31.9
705.29510	6.4
747.30560	29.4
791.29803	100.0
862.99701	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	835.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15995	0.9
58.81947	0.8
59.01395	1.1
60.22857	0.9
74.20786	0.9
95.90607	1.0
107.05029	9.3
108.97855	1.1
121.02879	1.1
133.06552	3.6
135.04445	2.0
144.86398	1.0
149.06050	21.7
177.05569	27.2
179.03496	48.1
195.06602	5.7
221.04572	1.3
239.05612	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	835.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	40.2
71.01371	49.1
73.02929	19.8
76.47089	1.8
85.02935	12.4
87.00849	10.7
89.02433	50.9
95.01346	2.7
97.02941	2.9
99.00868	3.7
101.02433	65.2
111.00842	2.5
113.02431	29.6
119.03487	23.3
125.02422	9.8
131.03505	12.0
143.03450	7.6
161.04539	25.1
179.05586	12.4
201.79204	1.8
219.13831	10.9
221.06636	14.3
245.11668	2.1
263.12869	28.8
268.41452	1.7
277.14584	2.2
305.21164	7.3
333.55615	1.6
341.10834	2.3
349.20142	9.3
383.12073	2.1
467.26477	2.3
599.40704	2.0
654.85553	2.1
791.28906	30.9
835.36127	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	837.298
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94487	14.8
92.19383	19.2
94.81178	12.9
97.69666	14.0
99.75289	15.2
118.35133	13.8
143.17113	17.0
165.05539	23.5
191.03474	21.2
207.06615	59.2
208.03784	28.3
209.85056	18.5
223.06129	58.0
467.34341	16.8
776.20819	17.2
837.29315	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	837.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	4.5
59.01378	4.5
70.02970	9.6
71.01369	7.3
72.01610	0.6
72.04535	1.2
74.02462	32.2
85.02945	0.9
89.02429	6.2
90.70662	0.6
98.02452	9.2
101.02425	5.5
113.02421	3.8
116.03519	17.7
116.05039	5.7
119.03485	1.3
125.02470	0.6
130.06613	0.7
131.03485	1.1
142.06638	0.9
159.09258	4.3
161.04514	1.4
183.09201	1.1
186.05699	0.8
201.10333	5.5
203.08261	68.8
205.74814	0.7
221.06618	1.3
236.47968	0.7
245.09300	100.0
283.78455	0.6
289.08325	6.8
321.20737	1.1
330.32813	0.6
333.20605	0.8
337.27826	0.7
351.21603	1.1
397.70087	0.7
496.04169	0.6
627.29993	0.7
793.31635	3.2
837.37830	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	837.377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	35.5
59.23264	2.1
71.01374	36.5
73.02957	4.1
85.02935	10.5
87.00866	3.1
89.02426	41.0
96.95992	16.2
97.02942	3.8
101.02427	47.3
113.02425	21.8
118.82767	2.2
119.03486	16.5
125.02453	9.8
131.03470	5.1
143.03465	5.2
161.04523	13.5
179.05597	5.5
203.08255	3.2
221.06607	9.9
224.41605	2.1
245.09167	5.1
261.18594	4.4
303.19656	5.4
321.20816	19.1
341.10825	4.5
352.30508	2.5
483.25998	5.1
503.18054	3.2
793.32227	2.5
837.37683	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	838.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02231	1.3
101.97252	1.6
102.31514	1.5
147.04521	3.2
147.36282	1.6
164.07161	6.6
209.10851	2.8
227.11900	6.5
245.10587	6.6
267.95453	1.6
271.10861	8.4
289.12006	8.4
299.33377	1.7
305.20197	1.7
331.12946	15.6
431.83575	2.0
447.21542	33.0
462.23981	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	839.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.6
64.64217	1.2
65.18101	1.3
68.60925	1.2
71.92802	1.4
77.72731	1.3
84.35602	1.3
87.00842	2.2
98.44056	1.4
107.05031	10.6
121.38602	1.4
133.06581	3.2
149.06064	26.3
166.02618	2.4
177.05547	34.0
179.03487	52.9
181.05080	11.6
189.30557	1.5
195.06577	7.4
199.69931	1.6
220.58328	1.4
221.04407	1.8
239.05617	100.0
337.31958	1.4
599.20142	14.4
761.38678	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	839.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
71.01380	15.0
73.02944	6.6
75.93614	1.2
85.02939	7.6
88.55067	1.6
89.02426	1.4
96.95985	3.1
101.02443	15.9
109.47991	1.3
113.02410	10.8
120.27191	1.5
140.82347	1.6
143.10803	1.5
161.04552	6.5
224.47403	1.4
241.71231	1.4
255.06598	17.3
267.06821	10.4
286.59732	1.5
305.16034	6.5
347.17120	57.7
447.13077	2.5
822.31067	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	839.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	56.7
66.29455	6.2
71.01379	64.2
73.02927	10.6
83.49441	6.3
87.00896	6.7
89.02438	97.4
101.02428	100.0
113.02425	48.7
119.03493	41.3
125.02389	9.2
131.03474	8.1
143.03458	9.2
161.04607	50.9
179.05585	38.1
221.06702	51.0
235.75226	8.5
260.95071	7.2
323.09818	8.9
341.10913	82.1
383.11798	39.5
404.75009	7.6
595.93860	8.6
648.18958	8.8
795.32635	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
62.60846	0.5
63.07920	0.4
70.02954	4.8
72.04556	0.7
74.02460	23.4
74.02874	1.0
76.91174	0.5
93.57758	0.5
98.02445	5.6
108.91677	0.5
116.03514	20.0
116.04997	6.0
118.74433	0.5
154.05209	0.5
159.09236	1.9
186.05775	0.6
191.41571	0.5
201.10312	6.4
203.08264	66.5
245.09288	100.0
289.05270	1.0
289.08313	19.8
300.62411	0.5
344.52368	0.5
494.64331	0.7
579.17670	2.1
637.33887	0.6
795.30377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
65.16683	1.8
67.77517	1.7
71.01361	26.6
73.02935	84.8
77.21004	1.7
78.74145	1.8
79.11404	1.8
83.01402	17.0
84.54671	1.9
85.02946	2.7
89.02425	13.6
101.02423	64.7
106.09230	1.9
113.02433	19.9
119.03470	8.2
131.03450	3.5
143.03490	10.0
149.04521	13.0
161.04559	23.4
166.97902	1.9
188.85742	1.9
221.06639	21.7
228.02318	2.1
270.02643	1.9
314.94730	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	839.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.5
66.25812	1.7
71.01360	7.7
73.02950	2.8
84.48474	1.6
85.02931	1.8
89.02428	10.9
90.50237	1.6
101.02420	9.9
110.66448	1.7
113.02408	3.5
119.03552	1.8
143.03462	2.2
161.04504	2.7
221.06676	4.4
335.22324	2.5
345.03943	1.7
353.23224	4.4
463.30148	1.9
492.25470	2.1
515.28497	22.9
839.39117	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	840.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	1.9
73.02924	1.4
80.08490	1.6
83.01363	2.6
84.81272	1.2
85.02945	72.2
101.02432	7.2
105.10553	1.5
111.00877	32.5
119.05003	2.1
129.01912	27.7
135.04514	43.9
161.02515	1.9
161.04543	3.3
163.03966	2.6
187.02547	2.3
204.00020	1.3
205.03542	54.9
223.04591	100.0
291.17188	3.1
334.17761	22.4
369.08267	67.1
470.22925	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
68.81340	0.6
70.02966	8.8
72.04533	2.9
74.02465	40.2
83.28793	0.7
85.02905	1.1
92.19933	1.1
98.02455	8.2
107.05016	1.1
116.03516	22.6
116.05013	8.8
130.06544	1.0
135.04491	7.6
159.09248	3.3
164.04758	3.3
165.05513	2.7
179.07054	1.0
187.71065	0.7
201.10316	6.4
203.08261	75.8
208.03749	7.6
223.06139	16.4
230.36621	0.8
245.09297	100.0
248.93323	0.7
289.08340	4.8
302.45264	0.8
551.17737	23.1
619.09387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02968	6.4
72.04529	1.3
73.45955	0.6
74.02462	36.1
80.03252	0.7
80.58629	0.7
85.02943	0.8
96.95979	0.9
98.02471	7.9
105.57394	0.7
111.00896	0.8
116.03527	20.4
116.05043	8.1
128.82457	0.8
142.06673	1.0
159.09254	3.5
183.09305	0.8
186.05452	1.2
201.10345	6.1
203.08261	65.2
245.09302	100.0
289.08334	4.0
369.08298	1.2
592.16370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
70.02975	9.2
74.02469	37.6
79.81663	1.1
92.19274	2.5
95.79096	1.2
97.50562	1.2
98.02472	6.6
116.03528	17.9
116.05038	7.4
119.22055	1.1
159.09265	2.1
189.23631	1.5
190.00742	1.2
201.10332	7.2
203.08263	69.5
245.09297	100.0
269.08218	5.8
289.08313	2.0
331.22968	1.2
452.31232	1.1
636.28448	1.2
797.25366	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	841.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	0.6
59.01377	10.4
59.67045	0.3
63.99648	0.3
71.01366	1.7
71.23432	0.4
73.02928	4.0
82.10761	0.3
83.01377	0.7
85.02911	0.6
88.42512	0.4
89.02427	0.8
101.02441	4.7
109.36909	0.3
113.02426	0.7
119.53792	0.4
129.24144	0.4
135.08148	0.6
137.09702	1.5
139.00499	0.3
149.04523	0.5
149.09755	0.5
160.08931	3.6
161.04552	0.7
161.09729	2.3
163.07700	0.6
175.11288	0.6
177.12820	5.9
189.11143	0.8
189.12839	17.7
191.14474	0.8
201.12823	8.9
204.11601	2.1
213.48099	0.4
219.13889	100.0
221.06697	0.5
251.12845	0.4
307.32950	0.4
423.20169	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	842.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
59.52438	0.8
63.61230	0.9
71.01393	1.6
83.01368	4.0
85.02937	59.4
89.76822	1.1
101.02412	6.3
102.66423	1.2
111.00125	1.4
111.00865	29.8
119.05075	1.1
124.57054	1.0
129.01932	19.3
139.99535	1.0
147.03027	2.0
161.04561	1.6
163.03992	5.2
187.02541	1.1
205.03531	47.1
223.04587	100.0
246.78845	1.2
282.83170	1.0
292.25616	0.9
308.19809	14.4
350.20917	8.3
355.40506	0.9
369.08258	70.0
472.24521	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73407	0.3
58.95435	0.4
69.19996	0.3
94.52679	0.4
104.00665	0.4
135.04558	1.0
140.32896	0.4
149.02441	6.5
152.01149	2.6
153.95760	0.4
163.04012	2.1
164.04791	25.1
169.05092	0.8
171.32233	0.4
173.47920	0.4
179.07137	12.5
193.01392	4.6
208.03767	73.5
223.06120	100.0
245.09256	0.6
287.33173	0.4
637.21399	39.5
698.79150	0.5
799.26538	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	843.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.8
71.01379	1.7
88.26708	1.7
89.02451	2.1
113.77799	1.7
136.52203	2.2
149.02426	11.3
152.01163	7.6
164.04771	26.0
179.07076	15.7
193.01399	3.0
208.03751	100.0
214.05920	2.2
222.20326	1.7
223.06120	93.3
289.06985	1.8
305.26578	2.0
423.28625	2.0
799.26422	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	843.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
60.79733	0.4
70.02965	8.6
72.04539	2.0
74.02464	35.2
78.32837	0.4
82.09207	0.4
87.24094	0.4
89.16399	0.4
98.02464	7.4
109.13604	0.4
113.56544	0.4
116.03513	20.4
116.05025	9.9
119.50401	0.5
127.80287	0.6
133.99149	0.5
141.34219	0.4
141.76192	0.5
142.06636	0.9
159.09195	3.1
183.09265	0.6
186.05682	0.8
201.10353	6.6
203.08261	69.6
208.03792	1.9
223.06157	2.2
245.09299	100.0
289.08322	2.8
433.68948	0.5
579.75275	0.5
637.20886	0.6
846.75006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	95.0
65.75186	0.9
71.01368	12.8
73.02923	3.9
85.02952	1.6
89.02430	4.2
91.04047	0.9
97.02942	3.9
101.02418	13.1
113.02434	7.1
125.06071	9.9
143.03517	1.9
159.03001	2.1
161.04535	19.7
164.11920	2.1
165.47440	1.1
166.08670	5.4
169.05061	2.5
171.45128	1.0
208.10919	23.6
251.11348	41.1
252.09918	35.0
258.59998	1.1
293.12424	100.0
302.16415	1.2
337.11584	8.4
356.80203	1.1
410.14322	1.4
590.21716	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	843.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	78.1
61.95493	2.6
64.61323	2.4
71.01374	13.4
73.02936	32.3
75.29385	2.2
83.01353	3.4
85.02944	3.3
89.02447	3.9
91.10119	2.7
97.06605	3.8
101.02415	30.0
102.98601	2.4
111.00879	2.5
113.02428	19.2
119.03496	4.6
119.04987	4.9
125.62102	3.0
131.03445	3.6
137.09727	5.0
153.09166	15.9
161.04501	3.7
175.11284	16.4
193.12335	100.0
221.06683	6.3
233.15392	6.6
251.16490	52.1
269.17526	6.6
270.79761	2.6
413.21811	12.6
431.23032	5.5
473.23932	85.6
621.70520	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	843.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.5
61.12980	1.0
70.90205	0.9
71.01373	36.2
73.02943	11.1
73.40640	1.0
75.27727	1.0
83.01360	2.0
85.02945	11.4
87.00887	2.4
89.02425	21.8
95.01339	4.4
97.02933	2.1
99.00879	2.7
99.04507	39.4
101.02425	39.1
111.00854	1.5
113.02428	16.6
119.03471	7.0
125.02419	5.8
131.03459	1.4
143.03506	5.4
159.03035	4.1
161.04579	10.0
221.06728	1.4
245.06624	1.3
263.43402	1.0
271.19598	1.1
273.14594	1.1
308.74619	1.2
419.27887	2.2
441.30017	1.7
501.32385	2.7
526.86816	1.3
799.35223	19.7
843.43848	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	843.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	41.4
70.18507	4.4
70.60286	4.7
71.01373	51.7
73.02946	6.4
78.10132	4.7
85.02930	11.4
89.02448	42.4
89.20319	4.6
90.75609	4.5
92.19344	10.5
96.96020	8.3
99.04529	37.6
101.02433	50.2
110.46413	6.4
110.86469	4.6
113.02437	11.0
135.86717	4.3
143.03476	5.3
161.04544	7.8
161.31447	5.5
225.75888	5.9
225.81012	5.1
438.94952	5.2
499.94598	5.9
544.22211	5.5
799.36237	21.5
843.43750	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	843.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05507	0.4
106.04224	3.4
108.82472	0.3
121.02927	1.7
121.06569	71.2
147.04494	9.3
148.20441	0.3
164.89848	0.6
165.01868	1.9
165.05542	100.0
182.16696	0.4
208.03517	0.3
297.43277	0.4
326.21085	0.3
439.28461	0.3
677.49609	1.8
768.16766	0.4
843.55566	2.5
845.21484	0.4
879.89832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.235
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91087	1.9
92.19966	2.8
95.20962	1.7
112.42170	1.8
112.62683	1.8
123.66269	1.7
133.95813	1.7
135.04512	15.2
161.02429	74.4
179.01898	3.2
179.03490	100.0
189.07629	1.9
193.34283	2.4
341.08746	60.6
482.78934	2.0
503.14090	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.0
60.38800	1.7
70.02972	7.9
72.04528	2.3
73.02937	7.9
74.02464	34.6
77.06786	1.7
98.02455	2.5
101.02409	7.8
116.03501	15.0
116.05003	3.5
149.06029	2.0
151.04001	3.0
153.05556	2.8
159.09309	1.9
165.01881	2.7
165.05560	12.3
166.06358	18.4
181.05089	3.4
181.08685	3.8
191.03540	3.9
203.08272	43.3
204.08638	17.4
205.08821	3.5
207.06660	4.5
208.03802	2.8
209.04518	2.2
223.06097	3.8
224.06865	10.0
225.07669	100.0
239.09286	14.2
245.09303	46.6
246.09668	27.3
247.09851	12.2
342.36560	2.5
432.78769	2.1
447.95786	1.8
451.17487	2.1
606.80841	2.1
639.22986	46.8
689.30200	2.6
738.81738	2.1
801.28204	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	24.3
70.28751	0.9
71.01366	13.2
73.02932	9.0
77.49186	0.8
82.67307	1.0
83.01409	0.9
83.68553	1.0
85.02943	4.9
85.05833	1.0
87.00859	2.1
88.37923	0.9
96.95952	1.2
99.00874	1.4
101.02428	15.0
101.48190	1.0
113.02425	12.0
119.03471	1.9
119.94374	1.1
125.09687	1.0
131.03487	6.5
137.02408	1.1
143.03569	1.2
146.14066	0.8
149.06117	1.4
151.03993	2.2
153.05557	1.9
159.03011	1.1
161.04546	8.5
164.04756	1.5
165.01921	2.2
165.05548	12.7
166.06342	15.2
176.49446	0.9
179.03432	1.3
179.07123	4.6
180.07909	1.3
181.05078	3.9
181.08684	5.4
187.09691	3.7
194.05855	4.9
198.91785	1.0
207.06624	1.7
208.03609	1.1
209.04506	1.4
209.08159	10.9
221.06653	5.1
223.06163	1.0
224.06859	5.6
225.07675	66.1
239.09315	9.3
240.04733	0.9
285.75845	1.1
315.21579	1.0
588.98187	1.1
801.28223	100.0
871.48657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	25.3
61.89717	1.1
62.17310	1.1
65.46278	1.4
67.28643	1.2
67.78679	1.1
71.01365	15.1
72.99302	1.2
73.02946	9.2
85.02940	2.8
87.00851	2.3
89.02427	12.3
97.08987	1.4
99.00871	2.0
101.02425	15.9
102.94956	1.6
113.02422	10.4
119.03478	2.4
121.06577	6.1
131.03519	2.9
133.14748	1.5
136.74049	1.2
151.04001	3.0
161.04503	6.5
165.01941	1.5
165.05559	16.2
166.06310	19.3
179.03510	1.5
179.07071	2.0
181.05093	2.5
181.08644	2.8
193.08662	1.7
194.05827	2.1
195.06638	1.6
209.08195	9.3
221.06714	2.8
221.67075	1.3
224.06909	6.5
225.07669	69.5
239.09264	8.1
243.20972	1.5
275.68442	1.2
330.85803	1.3
801.28320	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	845.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	67.5
69.03433	1.8
71.01371	14.2
71.05001	13.8
72.99327	1.5
73.02939	48.1
79.40031	1.4
83.01381	8.1
85.02950	2.4
86.59790	1.3
87.00882	1.9
94.78128	1.4
97.02919	1.6
101.02438	25.4
105.03445	3.3
113.02483	10.3
121.02940	13.4
123.04574	1.6
134.03735	19.0
143.03421	2.2
147.00891	2.7
149.09721	7.1
161.02438	100.0
161.04503	3.5
177.09215	8.4
189.01918	36.6
203.05684	3.1
219.02946	7.3
221.08183	78.9
331.17609	16.1
342.65216	1.4
351.07303	1.9
392.47876	1.5
395.14551	1.6
457.01236	1.7
538.36816	1.6
629.70081	1.7
712.40344	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	845.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
66.90939	1.1
71.01372	5.8
72.85757	1.2
73.02935	5.6
83.01346	1.4
89.02428	6.1
101.02415	4.6
101.93402	1.0
111.81069	1.0
113.02409	2.1
119.03468	1.7
134.06108	6.7
145.79292	1.1
160.04021	4.5
223.14519	7.0
230.11792	5.2
238.09764	1.0
247.14511	16.2
273.12469	7.5
275.21338	1.7
280.80344	1.2
331.19208	24.5
342.14459	4.8
358.21405	2.1
368.19843	15.5
433.10364	1.6
454.27512	9.8
499.32870	35.3
573.36749	5.7
580.08264	1.2
721.54596	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	846.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
71.01364	0.5
93.15463	0.3
97.70503	0.3
101.02413	2.4
121.02929	0.4
122.03722	1.8
130.06595	0.5
134.03670	0.5
136.01620	2.0
137.02432	1.4
152.04776	0.6
166.02684	3.2
178.02710	3.2
179.03491	2.4
180.04384	0.6
181.01431	2.8
192.04256	0.5
193.05034	0.4
195.03056	0.7
196.03767	9.8
198.01694	1.7
210.05344	1.5
228.02730	3.4
242.04362	0.5
258.08908	2.2
270.08945	1.9
273.11282	2.6
285.07742	1.5
285.11325	1.7
292.11685	0.5
302.07816	0.7
303.12259	0.5
314.07983	2.1
317.10284	9.6
329.10345	8.9
332.08948	1.7
336.10880	4.3
347.11362	100.0
509.16632	4.6
531.47418	0.4
642.65454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67473	0.2
59.14910	0.2
59.42355	0.2
59.64825	0.2
71.01360	2.0
71.11058	0.2
84.44016	0.2
85.02919	0.3
89.10699	0.2
93.03433	19.6
96.95976	0.4
101.02430	1.0
113.02429	0.4
131.86218	0.3
137.02428	100.0
140.05598	0.3
141.56956	0.3
149.02397	0.2
151.09982	0.3
161.04626	0.3
164.04785	1.4
179.07109	0.3
208.03722	5.6
223.06090	13.4
225.16679	0.2
231.29378	0.3
299.07712	23.9
547.16791	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	847.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
76.79749	1.1
94.79180	0.8
112.59981	1.0
133.02943	1.1
135.04518	9.4
154.60530	1.0
161.02431	59.3
179.03490	46.3
179.05325	1.9
179.05617	1.7
208.10930	2.2
252.09834	3.8
258.87628	0.9
291.19220	1.0
341.08765	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	847.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	39.9
59.65910	3.2
60.15594	2.9
62.70334	2.9
64.60614	2.9
64.65754	3.0
71.01372	52.9
73.02916	7.0
77.01741	3.2
77.02262	3.3
85.02943	13.8
89.02435	47.4
101.02416	47.4
103.73146	3.1
111.58673	3.1
113.02413	30.1
119.03464	15.7
123.04492	5.0
125.02402	6.2
131.03505	5.8
145.08650	31.0
152.01082	8.1
161.04546	4.8
165.05531	5.9
167.03491	83.2
221.06714	4.5
244.22331	3.2
307.13928	35.2
343.15695	4.1
346.14130	4.3
361.16541	73.5
523.21747	4.3
539.17755	45.2
816.79370	3.6
847.32257	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	847.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
66.84106	0.6
71.01028	0.6
71.01357	5.4
73.02943	3.1
80.15813	0.8
83.01375	1.0
85.02931	3.3
99.00854	0.8
101.02435	8.3
113.02453	5.1
113.61584	0.7
133.05301	1.4
134.06070	7.4
136.39146	0.6
160.04013	4.1
161.04561	1.3
202.34969	0.7
223.14507	6.7
230.11873	5.8
233.12854	0.8
247.14514	17.5
273.12509	5.3
275.21335	1.2
291.18188	7.9
333.19217	6.2
342.14490	3.9
358.21231	1.6
368.19888	15.5
454.27225	9.0
499.32916	29.1
571.34839	0.8
573.37073	5.2
628.47601	0.8
847.38220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.2
71.01369	1.2
73.02935	5.1
76.22401	1.0
78.51893	0.9
80.99180	0.8
89.02410	1.4
96.39124	1.0
99.24569	0.8
101.02428	4.5
102.98597	2.0
119.05008	100.0
125.02330	0.9
135.04578	1.2
163.03998	42.0
174.01492	0.9
321.65921	0.9
335.21716	0.9
362.64307	0.9
367.10309	36.3
367.14853	1.3
375.16394	1.3
411.08942	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	849.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
60.32616	0.6
61.89824	0.6
66.96590	0.7
87.00877	1.1
88.00800	0.5
88.74787	0.6
91.43872	0.6
92.19368	1.7
146.49675	0.6
159.08499	2.7
161.10037	100.0
231.10562	3.1
249.11674	15.7
271.64478	0.7
291.12720	42.6
335.22650	0.8
357.55841	0.7
581.60791	0.7
600.02698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.6025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.3
83.88457	0.6
95.05032	2.3
112.07665	12.2
113.06073	3.4
125.83570	0.7
129.10329	6.3
130.08728	22.2
207.15068	7.1
224.17778	4.5
225.13875	1.3
225.16093	35.9
320.23373	4.5
337.26068	6.2
338.24564	10.5
433.31805	2.8
450.34357	4.5
451.32996	5.9
546.40326	1.0
563.42773	1.0
676.51276	2.7
772.56976	3.5
790.58136	100.0
850.60022	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	851.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90257	2.1
65.71886	2.2
92.19192	3.1
119.05047	3.5
119.47814	2.7
123.04498	10.6
125.02360	5.8
146.02519	2.4
167.03476	34.3
174.43636	2.5
179.03528	3.8
197.04517	11.2
197.42981	2.8
209.04543	100.0
239.05600	88.2
251.05640	3.9
258.28647	2.8
267.91803	2.5
269.06653	36.5
281.06711	2.7
329.08774	3.6
363.68140	2.8
371.07870	3.0
491.12003	22.9
534.48126	2.5
603.23627	2.5
611.16156	80.3
647.08807	2.6
665.62048	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	851.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
63.22186	2.0
67.65971	1.9
81.59632	1.9
85.56796	1.7
87.00864	22.3
88.84928	2.1
97.06539	4.3
107.05011	4.3
112.05280	8.3
121.02937	23.1
122.03712	11.0
129.94667	2.1
130.99847	11.5
146.03702	3.1
147.04527	21.9
163.04021	16.0
164.04729	10.6
191.03514	8.3
192.04250	2.1
194.02234	2.6
201.09251	3.6
219.10258	3.9
261.11362	3.1
289.10599	3.1
291.08755	18.0
349.09280	12.2
351.10825	100.0
413.21851	2.7
816.69031	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	851.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.2
64.52364	1.0
64.61645	0.9
71.01363	1.2
74.90074	0.9
87.00861	1.6
89.79690	1.2
101.02423	1.4
119.05005	6.9
121.02917	1.1
136.07649	5.0
147.04590	1.4
162.05602	2.3
162.11797	1.0
164.04822	1.3
199.08815	2.4
213.10332	1.3
213.13950	7.8
233.12941	42.4
239.11911	23.8
251.12874	1.9
257.13043	1.5
308.17664	55.9
320.17630	7.4
331.73816	1.1
333.14914	1.4
336.20773	15.9
344.17880	1.5
351.10922	9.0
358.08511	1.2
360.17215	5.1
362.18750	100.0
363.17310	2.0
380.19797	64.2
406.17734	4.6
457.24463	4.8
617.26135	1.3
640.31671	1.6
658.32410	4.1
688.33795	7.6
821.38867	14.9
851.39905	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	4.5
65.27417	0.8
71.01359	2.2
71.65475	0.8
87.00871	2.0
119.04948	7.7
121.02947	1.3
136.07640	7.2
162.05600	1.8
163.03981	1.0
197.11893	10.7
199.08859	1.9
213.13956	9.0
233.12949	41.9
235.08623	1.0
239.11888	25.7
241.10756	13.3
251.13043	1.2
308.17670	53.6
308.21213	2.0
320.17606	10.0
333.14758	3.5
334.19324	1.5
336.20770	13.9
343.14453	1.0
347.16644	1.1
351.10852	10.7
356.35022	1.0
360.16995	4.9
362.18753	100.0
363.17068	1.7
380.19803	80.5
406.17703	5.0
424.18719	4.1
640.31287	2.2
658.32318	4.6
688.33569	11.2
777.11176	1.0
821.38727	14.9
851.39893	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52196	2.4
69.03432	2.7
73.90207	2.7
76.62677	2.7
84.02154	2.9
86.46059	2.4
92.19359	3.1
97.02933	24.8
98.03716	15.0
120.37133	3.6
165.10854	2.9
167.84875	3.0
187.12381	11.4
212.14456	10.9
223.09726	20.8
263.30466	2.7
299.17676	100.0
317.18637	12.7
329.10385	3.7
330.11118	3.0
341.10309	36.5
342.10645	3.2
344.12790	23.9
345.13559	5.8
356.12625	22.8
359.14954	37.7
371.15018	57.9
389.16159	24.9
533.09851	3.6
659.33337	6.8
671.33899	3.8
689.34320	21.7
803.39410	2.9
851.39612	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.5
62.21468	1.1
68.95575	1.1
70.04090	1.1
71.01373	22.7
73.02931	5.5
73.67510	1.2
78.38444	1.2
79.20613	1.1
81.03450	1.1
82.06604	2.2
83.01386	1.8
85.02932	7.6
89.02431	16.1
97.02923	1.3
99.00863	2.5
101.02428	21.8
103.92402	1.2
110.07245	2.0
113.02424	13.9
119.03450	8.1
124.08765	6.3
124.67422	1.1
125.02424	2.6
131.03535	1.6
131.32028	1.1
136.11331	2.5
139.07626	2.0
143.03467	2.8
161.04533	6.1
167.67732	1.2
178.13464	1.8
179.05611	1.8
221.06572	1.9
222.12465	58.5
222.14674	1.9
235.21921	1.3
245.06718	1.4
305.15875	1.3
323.09842	1.7
424.86722	1.2
431.53107	1.3
543.58594	1.2
583.04639	1.3
629.26666	100.0
664.91376	1.5
767.38647	1.5
840.20038	1.3
844.64905	1.3
852.40045	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	853.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10303	3.6
71.01363	12.6
71.20722	3.0
73.02912	4.7
85.02927	5.8
89.02448	4.5
92.19429	4.3
93.47441	2.9
101.02424	18.3
106.70212	2.9
106.71034	3.4
113.02441	13.4
116.94151	3.2
202.54163	3.7
245.79295	3.6
290.54770	3.8
399.23804	35.9
405.67065	3.3
459.26059	100.0
472.59744	5.1
547.86121	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	853.5764
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.31413	0.4
90.58012	0.4
92.20029	0.8
109.33508	0.5
112.07703	0.6
130.08739	1.6
140.04224	0.4
177.04755	0.6
181.24246	0.4
207.15042	0.5
225.16090	2.2
226.16365	2.0
524.70184	0.6
704.00323	0.5
708.85303	0.5
775.58997	0.5
791.58466	0.6
792.59381	1.8
793.59113	12.0
853.57776	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12904	0.5
70.21644	0.7
71.01375	2.6
72.99294	10.4
89.02443	5.4
101.02437	0.8
115.00357	5.0
119.03481	1.5
133.01425	20.7
133.02428	1.1
152.95938	42.9
170.97005	100.0
179.05586	1.4
230.98302	0.9
341.10834	2.6
513.08582	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02966	8.1
72.04538	1.1
74.02461	37.5
77.94517	0.6
87.97607	0.7
92.20032	0.7
98.02457	7.7
106.39674	0.6
110.36494	0.6
116.03519	21.2
116.05013	8.4
142.06662	1.0
159.09296	3.0
186.05583	1.0
201.10355	6.9
203.08257	71.1
245.09297	100.0
289.08347	4.1
460.34695	0.7
573.89252	0.7
615.70233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
81.47427	4.1
81.75377	4.0
97.24879	5.0
138.03197	7.2
150.03204	21.7
151.03957	5.7
153.01941	4.9
153.05556	22.4
165.01912	4.8
165.05473	30.6
166.02690	6.1
176.01131	16.6
178.02834	4.9
181.05040	20.0
191.03479	22.1
192.04317	8.0
193.01385	6.0
193.05042	17.3
195.06633	6.9
207.06659	45.9
208.03828	46.6
223.06100	46.5
279.56125	4.2
357.13187	5.3
378.98404	4.6
384.70856	5.0
426.49774	4.4
469.73834	4.2
658.22571	8.6
811.40265	5.1
855.30609	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	855.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.1
73.07164	1.1
83.32868	1.0
86.51152	0.9
87.00858	60.1
92.24348	1.1
97.06595	1.8
105.03403	1.0
107.04992	3.6
107.39101	0.9
108.62868	0.9
112.05280	1.0
113.02412	1.1
121.02910	6.2
122.03725	14.1
130.99850	37.8
132.00656	8.1
134.03703	4.9
135.04530	1.1
137.02393	2.3
147.04472	9.5
148.05299	4.0
163.04034	7.6
164.04784	5.2
164.43564	1.0
191.03523	1.9
191.10722	7.6
192.04283	7.7
194.02180	4.6
201.09210	1.3
209.83362	0.9
219.10248	5.0
236.09509	2.0
254.04320	9.7
291.08804	5.2
351.10843	100.0
352.11136	1.1
504.35907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24583	0.6
63.51898	0.6
68.60008	0.7
87.00860	19.7
87.01354	1.4
92.19990	0.9
93.43433	0.8
97.06557	6.8
99.47243	0.8
101.02399	1.5
107.05007	6.6
111.04479	1.6
112.05291	10.3
113.02508	0.9
121.02930	22.5
121.56023	1.0
122.03714	6.8
130.99852	9.5
132.00644	0.9
136.01700	1.1
137.02454	1.2
147.04507	20.2
148.05278	2.9
163.03992	9.4
164.04750	3.5
165.05502	1.0
175.07596	0.7
191.03471	9.6
192.04268	4.9
194.02191	3.2
201.09195	5.6
219.10297	5.8
245.11781	1.6
251.12877	1.7
254.04265	5.1
261.11285	5.8
289.10840	4.7
291.08740	16.5
315.14102	0.8
351.10840	100.0
353.11554	0.9
450.01343	0.7
459.26053	1.2
461.26276	1.6
474.93750	0.8
732.62170	0.8
868.25037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13593	1.9
66.89607	1.7
71.01361	14.1
73.02928	8.3
74.02464	4.7
85.02958	2.4
85.43917	1.9
87.00875	3.3
89.02432	14.9
101.02424	21.6
113.02420	13.2
116.03520	2.9
116.05005	3.4
116.97893	2.5
119.03494	3.8
131.03453	13.4
156.08180	13.8
161.04565	14.4
172.07671	26.0
174.05542	2.9
200.07170	29.3
202.05110	61.3
203.08348	17.2
204.08493	3.7
218.08186	4.1
221.06618	10.6
245.09280	18.7
246.09682	5.0
262.07190	69.1
264.18378	2.4
432.32675	2.3
549.21881	100.0
859.10339	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	857.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	0.9
79.95726	1.8
93.60680	0.2
96.95995	100.0
122.64623	0.2
124.46661	0.2
143.32784	0.2
145.69936	0.2
146.98070	0.2
158.64207	0.2
235.94368	0.2
252.52551	0.2
342.77963	0.2
369.08347	0.2
411.12357	0.2
775.14044	0.2
821.77887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79757	1.2
63.93440	1.2
71.01383	2.4
73.02939	6.4
74.45287	1.0
74.74789	1.2
83.57619	1.1
101.30213	1.4
124.27368	1.1
160.06404	2.8
161.07182	13.9
175.08740	12.6
176.14403	1.6
184.63982	1.3
187.08766	6.3
189.06699	87.2
201.10336	6.6
203.08273	41.6
203.11873	15.6
229.09811	45.7
255.06470	1.9
267.06677	1.6
277.11966	2.2
287.10257	2.8
305.11426	64.5
307.13959	1.4
362.14206	1.7
365.13544	100.0
412.96936	1.3
717.64191	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	857.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	1.8
73.02935	12.0
83.05010	2.8
85.02939	2.4
89.02425	2.5
93.03442	35.8
99.00865	5.7
99.04501	5.5
101.02411	0.8
102.56492	0.5
111.04499	26.4
112.72067	0.5
119.03484	0.8
129.01949	3.4
129.05568	0.6
134.14075	0.6
135.85910	0.6
137.02429	15.2
139.47844	0.5
143.03487	6.8
155.03481	16.9
173.04530	100.0
179.05505	0.5
183.35986	0.5
297.19727	0.5
341.10901	2.6
379.89352	0.6
403.90808	0.5
476.30637	0.6
515.16144	67.9
536.91632	0.5
722.96240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40653	0.6
61.47811	0.6
62.88631	0.6
70.02972	9.3
72.04540	1.6
74.02047	1.6
74.02464	41.4
87.81407	0.7
92.19901	1.2
96.96020	5.0
98.02438	7.5
110.13025	0.8
116.03519	21.0
116.05055	9.0
118.21549	0.7
142.06538	0.8
152.79622	0.7
159.09239	1.5
186.05482	0.9
201.10316	6.4
203.08270	70.6
222.65933	0.7
245.09300	100.0
245.19951	0.8
289.08289	2.9
464.69485	0.9
755.87616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02973	7.0
72.04536	1.2
74.02465	30.3
91.15686	0.7
98.02470	7.6
116.03530	18.2
116.05035	7.4
124.00146	0.9
134.18149	0.6
142.06631	0.8
144.53693	0.7
159.09302	1.3
178.62434	0.7
186.05649	1.3
198.93062	0.7
201.10309	8.3
203.08270	64.6
245.09306	100.0
289.08267	3.1
302.14572	0.7
306.28851	0.7
561.27466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43953	1.3
64.06120	1.3
71.01369	28.0
73.02943	6.5
85.02938	5.7
85.60244	1.4
87.00865	2.4
89.02432	48.0
101.02425	45.0
113.02433	25.0
119.03494	25.0
125.02448	8.9
131.03499	8.6
142.58546	1.6
143.03490	8.9
143.33589	1.7
161.04538	15.9
179.05609	42.9
221.06718	13.7
285.16095	100.0
305.08765	7.6
323.09842	22.5
327.17377	2.5
341.10867	22.9
383.11908	7.6
501.09872	1.6
537.24158	2.1
651.27771	15.4
877.68579	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	859.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02969	7.1
70.93320	0.6
72.04541	1.3
74.02464	36.6
79.32740	0.6
90.10226	0.7
98.02460	7.0
116.03522	19.2
116.05032	7.3
153.05525	0.9
157.98253	0.7
159.09248	2.6
182.02219	2.6
186.05592	1.0
197.04564	13.1
201.10332	7.2
203.08272	71.1
245.09302	100.0
268.87302	0.8
289.08307	4.4
407.13065	0.9
569.18677	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	859.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02979	9.3
71.85636	0.9
74.02461	38.7
77.24912	1.1
82.87402	1.0
98.02454	8.7
98.04144	1.3
116.03516	19.7
116.05003	9.5
141.18163	1.2
142.69308	1.1
159.09213	1.8
201.10330	6.4
203.08250	75.8
245.09290	100.0
289.08258	4.0
301.91791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23716	1.6
71.01369	29.9
71.15011	1.7
73.02933	23.3
83.01379	2.3
85.02941	11.9
87.00857	2.0
89.02434	22.0
95.67934	1.9
95.96843	1.7
100.43513	1.6
101.02427	34.4
101.03031	3.0
104.58016	1.6
113.02422	22.0
119.03510	4.2
121.63494	1.7
143.03419	2.8
159.02919	2.4
161.04541	14.3
179.46690	1.9
217.85629	1.8
221.18620	2.4
253.66814	1.9
289.16574	3.6
321.08237	1.8
331.17480	17.4
379.21179	20.1
397.22284	7.7
439.23376	100.0
813.94873	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	859.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34836	1.4
67.66876	1.6
67.67223	1.5
68.80885	1.4
71.01365	36.8
73.02936	46.3
78.58104	1.6
83.01372	11.2
85.02934	9.9
87.00860	2.1
89.02428	12.8
91.53002	1.3
101.02429	57.1
101.03098	2.5
104.74063	1.7
113.02422	30.0
119.03490	5.8
131.03496	2.7
137.38330	1.6
143.03491	3.2
149.04555	7.5
159.02942	2.3
161.04550	23.8
221.06575	8.0
297.61337	1.7
329.16287	1.7
377.52597	1.4
385.01941	1.7
389.07538	1.8
399.23996	13.8
441.24954	100.0
465.75003	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	859.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46832	1.4
61.84900	1.2
71.01375	29.8
73.02930	38.3
83.01369	8.0
85.02943	9.0
86.72651	1.5
89.02423	29.4
95.01352	1.7
101.02418	41.4
111.24855	1.6
113.02438	24.0
113.04776	1.7
119.03474	13.2
122.85416	1.2
131.03465	3.2
141.88336	1.4
149.04532	5.8
161.04532	15.5
179.05667	5.0
181.47269	1.7
192.09454	1.5
203.05644	2.0
217.15958	3.2
221.06728	8.0
235.16989	3.0
297.92303	1.4
314.02094	1.4
331.17657	8.1
379.21515	5.6
397.22446	3.2
439.23373	100.0
483.25427	2.5
729.99768	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	860.346
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26407	0.4
62.59888	0.4
70.02969	6.4
72.00887	0.4
74.13405	0.4
74.52972	0.4
82.03513	0.4
82.71407	0.4
87.38103	0.4
91.05522	8.1
93.14444	0.4
123.73923	0.4
147.04507	19.1
162.09216	1.0
164.07162	81.0
206.08221	100.0
250.07179	4.3
281.41718	0.5
777.56403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
79.65902	1.1
79.68846	1.0
87.69897	1.0
110.98542	1.1
111.18087	1.0
132.02188	7.6
134.03741	10.1
149.06088	2.1
160.01639	82.0
161.02435	5.5
175.03983	100.0
177.66039	1.1
193.05016	12.2
220.28242	1.3
224.12558	1.0
264.07199	1.2
402.22876	1.1
801.22083	1.4
819.22900	1.6
858.57544	1.2
861.24542	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49805	1.4
77.95123	1.8
86.68120	1.7
92.19949	3.0
162.40706	2.1
166.02620	2.8
179.03485	2.5
179.07037	2.1
180.04250	18.4
181.05093	14.5
194.05849	24.1
195.06633	100.0
205.04961	2.8
206.05780	3.1
207.06529	2.2
220.07571	2.0
221.08199	16.5
221.09940	1.9
229.67990	1.9
235.11882	2.5
251.09138	3.0
277.12903	3.8
338.11850	3.7
354.10858	2.1
356.30823	2.0
369.13483	2.4
372.12317	3.6
387.14767	15.0
420.32788	2.1
477.17706	68.3
542.31293	2.1
622.61920	2.2
639.23114	47.7
887.66650	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	861.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	3.4
74.02491	2.1
85.02923	1.9
87.00883	2.1
89.02424	8.0
96.04533	2.2
101.02430	7.5
116.05041	2.3
124.34505	1.9
142.06583	2.9
161.04515	2.6
186.05582	8.0
201.10370	2.3
203.08128	1.9
273.18610	4.2
288.90839	1.8
325.17859	2.5
326.18713	10.4
333.20657	3.5
357.16943	3.1
372.19238	3.4
455.89883	1.9
458.00949	2.0
486.22726	4.1
501.25116	100.0
861.37134	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	861.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92467	1.3
71.01373	21.2
73.02941	10.9
76.22809	1.2
83.29730	1.3
85.02921	10.8
89.02431	11.1
101.02431	26.4
104.92887	1.3
113.02431	17.2
119.03488	2.1
159.02954	1.9
161.04565	11.4
174.05057	1.3
191.33536	1.6
289.16595	3.2
331.17612	24.9
399.23849	7.3
441.24982	100.0
586.67621	1.8
685.65204	1.6
889.22266	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	862.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
79.44728	4.8
79.79296	5.0
110.02457	8.5
112.24748	6.1
117.39414	6.3
130.64632	5.0
153.10213	6.6
155.08237	7.8
202.93834	5.8
241.13438	27.5
242.11836	7.2
259.14432	23.0
286.10718	8.0
303.13507	7.4
332.37488	5.4
333.26782	6.0
334.15808	5.5
344.09412	5.8
388.20456	6.1
432.19339	9.6
450.20450	12.8
844.35223	6.8
862.36560	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	863.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01367	2.0
71.01368	2.0
90.09396	1.5
91.35987	1.6
96.26712	1.8
101.02434	3.0
127.11296	2.0
131.91298	1.9
150.05539	3.8
241.09851	1.9
242.06941	8.4
243.07745	7.5
255.07701	14.8
256.08527	4.0
257.09277	4.1
265.09799	9.9
266.10547	25.0
267.11441	14.8
268.08487	2.9
269.09225	24.5
270.10059	14.4
283.10818	3.6
284.11697	4.0
285.12430	8.7
314.08997	4.3
329.11224	2.5
372.13422	25.2
376.12891	7.0
386.14963	7.1
387.15875	13.9
388.16449	4.1
390.14383	2.9
432.15494	2.6
434.13580	4.3
441.24857	11.7
449.16379	2.2
494.19421	3.9
615.24451	18.3
698.25598	3.3
765.38885	1.9
819.31110	100.0
896.20172	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	863.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34836	0.7
60.65196	0.8
71.01378	12.0
73.02930	14.4
81.28907	0.8
83.01386	2.1
85.02942	4.1
89.02431	6.7
90.48860	0.8
97.02901	1.4
101.02428	16.6
113.02435	9.7
119.03487	1.8
125.06049	1.5
138.06856	3.6
139.07654	5.1
151.07596	6.5
152.08406	17.7
153.09195	64.5
159.81856	0.9
161.04538	3.6
203.08354	1.0
205.12331	19.5
223.13382	10.0
245.09201	1.5
347.17084	4.8
367.17734	10.5
385.18698	2.0
427.19720	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	863.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55617	4.0
68.73000	3.4
68.97344	3.4
71.01373	4.8
78.63816	3.5
79.65116	3.4
89.02415	6.1
93.82765	3.5
101.02435	6.3
119.03510	4.2
150.42824	3.7
150.47362	3.7
177.66063	3.4
180.82849	3.3
285.16086	27.9
297.07565	14.5
309.07828	5.7
312.10077	8.9
324.06323	5.9
324.09842	4.1
327.12250	8.8
336.06119	4.1
337.07162	46.9
338.08398	12.8
339.08807	19.5
341.06561	5.1
351.08795	8.2
352.09641	40.1
353.06595	44.6
353.10294	6.2
355.82379	3.8
356.09061	25.5
368.08975	25.5
371.11441	69.4
383.11343	100.0
401.12341	34.7
409.26965	4.7
563.09711	3.9
563.17377	30.9
863.36066	16.2
863.76227	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	863.397
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05070	5.8
97.48736	5.8
105.05912	6.6
105.06735	5.9
123.91949	6.0
299.17737	14.1
341.14178	7.9
349.29343	7.8
611.30469	9.8
635.01337	7.1
641.32269	100.0
737.67401	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	863.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
84.02154	1.6
97.02948	20.7
98.03735	2.3
116.92866	1.6
153.36684	1.3
162.06853	1.6
167.08653	3.4
172.05280	11.1
175.07610	2.6
178.14983	1.5
187.07646	55.4
190.06334	5.5
205.08688	17.5
210.12860	1.9
212.14444	11.1
231.68472	1.5
255.18649	2.8
285.16214	1.6
299.17667	100.0
336.59644	1.9
341.13950	57.0
341.18079	2.2
540.11084	1.7
641.32343	61.9
789.12335	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	863.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23527	3.0
71.01365	19.5
73.02935	7.3
85.02937	5.2
87.70757	3.3
89.02444	5.5
99.00826	3.3
101.02410	17.3
113.02428	24.2
116.92811	3.8
120.45578	3.1
158.88017	3.6
161.04509	7.7
176.25969	3.6
237.14955	5.8
333.19095	14.4
349.63098	4.4
399.23785	6.9
422.00586	3.7
441.24911	100.0
471.54022	4.0
527.88519	4.1
681.95422	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	863.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11020	2.1
69.47965	2.1
70.50070	1.9
71.01364	21.0
73.02930	11.0
83.01407	2.4
85.02943	9.5
87.00841	2.5
89.02448	3.9
93.15052	2.0
101.02427	17.7
113.02421	13.2
159.02878	1.9
161.04530	8.9
220.76997	2.2
242.06902	5.2
255.07828	16.8
256.08426	3.8
257.09363	2.8
265.09824	10.7
266.10681	31.5
267.11380	10.2
268.08682	3.5
269.09338	29.8
270.10080	12.9
284.11685	8.7
285.12433	4.5
291.17905	3.5
296.50378	2.3
314.09048	4.6
327.09625	2.3
330.12860	2.4
333.19244	15.1
362.11215	2.9
372.13571	23.7
376.13022	9.2
377.13846	3.0
381.22858	8.6
386.15103	8.3
387.15753	18.4
387.47131	2.1
388.16733	3.5
394.15707	2.3
399.23807	11.7
434.13519	3.1
441.24997	88.9
494.19241	3.5
569.79126	3.1
615.24542	20.2
819.31006	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	863.5865
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73723	1.4
66.48271	1.9
73.02959	2.2
78.49119	1.5
84.93794	1.5
118.77715	1.5
123.08111	2.2
141.09213	100.0
147.31519	2.2
185.08185	54.8
211.21567	2.0
225.16040	2.7
255.29529	1.9
387.16223	3.4
448.89267	1.8
516.34644	2.3
677.49597	27.2
695.73468	1.9
791.06622	2.2
863.58746	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	865.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27551	0.8
62.20024	0.7
62.46710	0.7
68.85392	0.7
71.01369	6.3
73.02926	9.9
83.01396	1.1
89.02422	4.4
101.02435	8.8
104.77989	0.9
111.35452	0.8
113.02425	4.8
119.03489	1.0
119.05002	3.9
149.04523	1.1
161.04507	1.8
163.03976	3.3
179.05618	1.0
187.57118	0.8
190.51274	0.8
200.09026	0.7
221.06680	1.2
266.03232	1.3
266.05862	26.6
267.06622	100.0
347.10855	0.9
347.17093	19.7
377.12067	1.0
429.11911	9.9
429.21167	3.8
473.10873	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57618	1.1
71.01373	17.1
71.30809	1.2
73.02937	21.4
83.01377	2.9
83.55747	1.2
85.02925	5.1
87.77771	1.4
89.02428	14.0
97.82890	1.3
99.00855	2.0
101.02425	28.5
113.02435	16.4
119.03484	5.1
129.55371	1.3
131.03467	1.6
143.03542	1.5
152.08388	4.9
155.45425	1.1
161.04535	9.7
225.14862	1.7
322.99954	1.3
341.55908	1.2
347.17105	4.3
369.19138	8.0
387.20181	12.8
429.21313	100.0
540.41571	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	865.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62043	0.6
64.99843	0.5
71.01373	18.9
72.99262	0.6
73.02930	20.7
80.01511	0.6
80.05088	0.6
83.01377	3.8
83.63855	0.6
85.02954	4.6
89.02419	12.3
89.16946	0.6
95.01357	0.8
99.00877	0.9
101.02426	28.5
101.07243	0.7
113.02441	13.1
119.03461	4.3
143.03491	1.1
149.04503	0.9
152.08401	4.3
159.03008	1.1
161.04530	8.3
207.13918	1.1
219.82626	0.7
221.06662	1.2
225.15001	2.7
305.15717	0.7
347.16965	7.4
369.19284	6.9
370.83118	0.7
387.20221	11.2
393.21304	0.7
429.21274	100.0
649.06427	0.8
652.19391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
87.93494	3.2
92.19403	3.7
103.68423	3.0
107.85245	2.9
139.30899	3.1
161.02452	6.3
176.16557	3.1
215.09319	3.5
285.16098	51.8
325.10712	3.4
341.10309	14.5
355.07913	4.1
358.10666	38.6
370.10596	65.1
373.12885	87.0
383.11102	3.2
384.11505	3.2
385.12891	36.9
403.13864	14.5
460.18457	3.3
471.36844	3.0
479.18356	6.8
494.20486	4.7
565.19324	100.0
573.91907	3.3
574.76898	3.6
645.23541	3.9
865.36670	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	865.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16615	0.4
70.02970	7.6
72.04524	2.1
72.49876	0.4
74.02457	34.0
74.36385	0.4
77.45042	0.4
86.11095	0.4
88.83747	0.4
98.02448	5.5
116.03513	21.6
116.05038	7.2
142.06598	0.9
159.09247	2.7
160.30348	0.5
183.09261	1.0
186.05611	0.7
199.40717	0.4
201.10313	6.7
203.08255	72.5
203.79601	0.4
235.13309	0.5
245.09293	100.0
289.08365	5.0
446.15479	0.5
531.29663	2.2
633.92749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01701	1.7
70.31293	1.4
80.45729	1.6
101.02408	1.9
113.02444	1.6
113.90541	1.5
116.92860	2.2
135.04469	6.0
136.07660	3.1
162.05621	2.2
188.09666	1.7
213.06758	2.5
213.10400	3.2
214.11130	12.2
215.08250	7.1
239.08212	3.7
240.09015	2.7
241.09702	13.4
242.10556	8.0
243.11520	1.8
246.74791	1.7
247.10812	7.5
248.11568	11.9
249.12428	100.0
266.06839	8.6
267.07642	17.5
268.08517	26.8
269.09320	12.6
285.08896	11.3
286.09564	38.5
286.12460	2.8
312.07605	2.0
340.93213	1.6
404.16138	3.7
406.17545	10.6
424.18658	5.5
436.18915	1.6
442.25116	2.5
448.15341	5.8
654.29266	3.0
658.28894	1.7
672.31018	2.3
698.28217	21.9
702.30933	2.3
821.31506	10.7
835.36621	20.6
865.37726	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27154	1.0
71.01373	13.9
73.02942	1.9
74.42191	1.1
83.01376	1.4
85.02927	4.9
89.02447	9.0
101.02430	15.9
113.02425	7.1
119.03473	1.4
131.03479	2.6
161.04535	8.1
169.22713	1.3
179.05609	1.6
184.03168	1.3
221.06586	3.0
221.11858	4.6
237.64117	1.3
255.31473	1.2
311.37860	1.5
353.06821	2.4
563.14478	8.1
563.23401	100.0
608.92371	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	867.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01354	7.3
72.57609	4.9
73.02941	13.7
76.45692	5.8
101.02430	25.9
113.02429	8.6
119.04948	8.4
142.50465	6.3
149.02414	9.6
234.66241	6.6
266.05829	10.0
267.06638	39.0
268.06747	10.4
269.08197	62.8
347.17178	100.0
351.10910	6.5
431.13525	6.8
614.50171	6.8
799.60767	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	867.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
67.92773	1.6
71.01360	24.0
73.02943	2.1
85.02934	3.6
87.00873	1.7
89.02427	45.8
95.45760	1.5
101.02433	19.9
101.61440	1.8
113.02428	14.8
119.03463	12.0
121.10218	14.9
122.96866	1.9
126.37010	1.5
130.90860	1.5
155.57445	1.7
161.04497	1.7
164.04915	1.6
176.02278	1.7
184.27626	1.8
209.13188	1.5
265.33810	1.6
341.13916	3.0
345.15558	100.0
349.18661	2.4
429.21317	6.4
445.49799	2.2
521.18921	5.9
844.43805	1.6
891.79803	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	867.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98801	0.6
68.79162	0.5
71.01352	0.9
73.02924	1.0
74.15054	0.6
99.16973	0.6
102.98618	0.8
135.04492	8.1
136.07658	3.3
199.08698	1.3
213.13815	0.8
239.11888	12.7
248.66777	0.7
249.12428	100.0
308.17667	9.4
320.17706	0.6
336.20770	3.8
360.17181	1.0
362.18741	39.1
380.19803	17.9
406.17667	3.3
436.18823	3.2
505.12585	0.7
704.33478	1.2
780.33868	0.7
837.38306	5.1
867.39282	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60273	0.7
69.43028	0.7
70.32307	0.7
98.28933	0.9
135.04504	7.6
165.24541	0.8
207.11479	1.1
213.13814	0.9
239.11874	11.3
249.12430	100.0
308.17627	6.3
336.20966	1.5
362.18759	38.3
363.17111	1.5
376.92053	0.9
380.19821	15.8
406.17548	1.7
436.18765	5.0
572.80975	0.9
676.04614	0.9
704.32806	4.0
730.31586	1.2
737.56049	1.0
760.94696	1.0
837.38452	1.7
867.23541	1.5
867.39429	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	7.4
73.02915	1.3
85.02931	1.9
91.05524	12.9
96.04543	2.2
101.02410	5.1
113.02455	2.8
118.05774	2.1
118.06609	42.3
147.04497	16.4
156.08107	1.2
158.09753	9.7
164.07159	6.7
187.12360	2.7
200.10805	6.1
210.12843	1.5
244.09792	2.3
245.10594	1.6
246.11368	1.7
249.43471	1.4
255.18625	4.4
275.71988	1.4
298.19308	2.7
364.87817	1.1
418.21280	4.7
421.20636	4.8
446.24506	100.0
466.90546	1.2
868.46021	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35700	2.4
81.70638	2.4
83.39085	2.5
84.02700	3.0
85.89403	2.5
86.71031	2.4
93.03389	2.2
93.81932	2.7
102.81524	2.7
118.45147	2.3
127.47041	2.7
128.26332	2.8
131.13629	2.5
149.02473	18.7
150.02098	5.0
150.03207	74.5
151.04053	2.8
164.04784	12.9
165.05553	100.0
166.02760	3.5
180.04279	13.4
181.05060	14.4
190.48886	2.8
195.06627	25.1
265.83514	2.8
290.32446	2.7
419.43530	2.8
477.28308	2.8
504.48480	3.4
510.96729	2.9
565.20471	3.7
595.21997	5.3
655.23816	4.9
673.25739	2.9
809.30756	6.1
825.43439	10.3
869.32123	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	869.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51266	1.3
78.76867	1.6
97.47264	1.4
101.24216	1.7
109.00692	1.6
111.54314	1.4
116.92823	3.4
122.03678	3.2
134.01469	1.8
149.02446	6.0
150.03220	61.8
150.04457	2.1
156.22865	1.8
164.04779	3.5
165.05551	100.0
165.96823	1.6
166.02670	3.1
179.03490	2.2
180.04231	8.4
181.05023	11.0
195.06610	29.0
220.07326	2.2
246.34673	1.8
497.77338	1.7
565.21100	2.9
595.21851	6.4
613.22644	2.9
673.23651	2.0
761.28235	2.3
809.30817	3.6
869.32343	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	869.372
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66016	0.6
67.54701	0.6
68.38717	0.6
69.44171	0.6
71.01363	0.8
96.30687	0.6
121.77481	0.8
138.03232	3.4
153.05617	7.9
176.07724	0.7
182.02208	17.2
196.03749	3.3
197.04555	100.0
200.80917	0.7
211.06102	9.2
224.03185	1.0
239.05550	6.4
296.89957	0.8
310.70285	0.8
407.13345	5.4
569.18762	50.2
621.37323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	25.0
72.39034	4.1
73.02960	8.5
83.56942	4.2
89.02409	7.0
96.92925	4.1
101.02424	28.4
113.02433	9.3
144.01062	4.7
175.10986	5.2
322.26498	5.7
360.69345	4.3
386.71777	4.7
453.10495	5.2
488.25455	5.5
554.77600	4.6
771.64972	5.1
809.43298	100.0
865.34393	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	869.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76852	4.6
71.01374	26.1
73.02951	6.4
84.21228	5.2
89.02425	26.5
92.19284	9.8
101.02422	29.6
101.70960	4.9
113.02406	9.2
114.75212	4.7
121.34577	5.6
125.67365	5.0
133.22841	4.7
145.16754	5.1
161.04529	6.8
183.18575	5.6
212.44553	5.2
326.43378	4.9
458.24536	5.4
541.03876	6.3
624.86127	6.0
809.43280	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	870.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42646	2.0
72.89304	2.0
76.30894	1.9
82.02987	4.2
82.64684	2.3
84.01762	1.8
84.04541	54.6
85.02942	12.4
95.57317	2.6
100.04036	31.6
128.03520	31.4
129.01965	2.3
143.71684	2.0
155.72777	2.3
159.50732	2.4
177.65860	1.9
188.10837	3.6
204.10229	8.9
232.09779	89.6
250.10851	91.2
292.11917	100.0
294.66418	2.3
354.66992	2.3
359.69666	2.3
578.29895	2.5
724.70209	2.3
761.71320	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	870.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23590	6.2
71.01369	6.1
77.33845	5.6
89.02428	6.3
101.02415	6.9
118.06607	47.0
132.82246	6.2
144.80841	7.1
147.04521	13.8
151.09314	5.9
192.43683	5.4
235.40155	6.2
357.08142	6.2
368.52466	7.0
446.24561	100.0
623.17633	6.9
870.47876	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02965	8.1
71.01374	1.9
72.04522	1.1
74.02460	36.2
89.02421	1.9
96.96008	1.4
98.02465	7.0
101.02416	1.7
113.02413	1.7
116.03516	20.8
116.05007	7.7
119.03530	1.1
130.06650	1.1
142.06596	1.2
159.09296	1.7
165.05522	4.1
179.05580	1.5
182.99712	0.9
186.05536	1.0
195.06599	1.7
201.10316	7.3
203.08263	68.8
208.03758	4.1
221.06586	1.4
223.06097	5.2
245.09303	100.0
263.07590	1.0
289.08377	3.8
419.13690	0.8
462.98657	0.7
566.54633	0.9
581.18536	9.9
665.24377	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	871.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	33.2
73.00689	3.5
75.98774	3.3
85.02934	4.7
89.02434	20.5
92.19266	5.8
97.02913	3.8
101.02409	26.2
112.01612	3.6
113.02444	15.7
114.57172	3.4
119.03427	4.0
131.03488	4.7
155.53078	3.8
161.04617	3.7
181.87315	3.3
217.42915	3.1
218.35361	3.4
269.11810	40.0
281.11850	12.2
413.16153	32.0
425.16367	5.3
431.17065	76.7
443.17096	14.1
590.85449	3.2
797.28693	100.0
809.29779	21.6
827.29810	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16573	0.3
71.01362	1.6
73.02952	0.5
74.85642	0.3
79.71970	0.4
85.02921	0.6
89.02413	0.5
93.03442	20.7
96.95979	0.7
101.02428	1.8
113.02405	0.6
118.30045	0.3
137.02434	100.0
161.04585	0.4
205.57629	0.4
299.07727	28.8
332.20828	0.3
439.18427	0.4
461.37851	0.4
468.92322	0.4
827.29169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.361
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	27.4
73.02934	3.7
83.66474	2.2
85.02943	8.1
86.35219	2.2
89.02408	23.8
97.02927	3.1
101.02424	30.0
103.51842	2.1
111.00845	3.1
113.02424	22.8
119.03430	8.2
125.02416	4.1
125.17738	2.4
143.03534	2.5
161.04518	5.2
197.28783	2.2
283.87054	2.1
291.04416	2.4
299.20151	24.9
399.70972	2.7
518.42529	2.5
767.34448	13.7
785.36011	5.0
827.37018	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	871.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65673	3.7
71.01372	31.4
73.02940	13.6
83.01380	5.2
85.02941	11.9
87.00898	4.6
89.02444	24.1
93.27863	2.8
95.01386	3.7
99.00862	5.4
101.02427	33.3
113.02433	16.0
114.28963	3.0
116.08325	3.0
119.03458	12.3
125.02372	4.2
159.02898	3.1
161.04521	12.7
215.84250	2.8
221.06648	6.7
281.21307	24.0
283.22772	5.5
294.85239	3.3
299.22330	4.5
339.88443	3.3
403.28659	3.8
461.27670	6.7
654.98462	3.5
709.37762	5.9
767.41705	5.6
827.39203	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	871.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65229	6.8
71.01373	39.9
73.02948	32.1
78.40937	6.3
83.01363	7.7
85.02934	12.7
89.02437	28.1
101.02422	50.5
113.02431	56.2
119.03509	11.6
125.02428	13.1
153.60669	7.1
158.21228	6.8
182.56824	6.3
203.05573	13.6
235.34230	6.4
398.87732	7.9
401.27075	10.4
419.28079	65.2
430.67349	7.7
461.29160	13.6
485.62936	8.0
563.31964	8.9
677.60101	7.2
707.37250	12.5
725.37671	8.9
767.38818	95.8
785.39362	42.2
827.40814	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	873.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87711	4.5
77.17805	4.2
85.02940	100.0
101.05544	4.0
111.00874	33.0
113.97475	4.2
129.01936	36.3
135.31308	4.0
149.06090	7.0
177.05641	6.2
179.03493	34.5
205.03488	37.8
223.04559	70.7
236.62410	4.0
239.05656	65.6
252.98502	5.2
369.08243	86.8
448.78543	4.4
541.92908	4.4
857.72095	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	873.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53594	1.2
63.90591	1.2
64.76318	1.2
66.18422	1.6
70.01756	1.3
70.02972	10.1
70.88718	1.2
74.02460	35.0
78.41193	1.3
87.64735	1.3
98.02451	6.9
116.03539	20.9
116.05046	6.7
124.62890	1.4
150.03201	1.9
151.04010	3.1
159.09210	2.2
165.05557	28.0
166.12065	1.4
178.46107	1.3
194.38545	1.6
195.06610	7.1
201.10281	2.8
203.08276	60.3
225.07617	12.4
245.09306	100.0
289.08377	2.8
290.03973	1.5
298.23999	1.5
421.14935	3.4
583.20361	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	873.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01358	12.4
71.60833	1.1
73.02927	8.3
83.01377	2.6
85.02937	6.4
87.84007	1.1
89.02425	10.4
95.01392	1.7
99.00892	2.4
101.02437	18.5
107.86090	1.1
113.02439	11.2
119.03475	6.0
131.03510	1.8
134.28398	1.3
142.01106	1.3
161.04521	5.1
177.12842	5.6
195.13843	2.7
221.06705	2.4
221.11778	5.1
255.01299	1.4
283.67682	1.1
401.18167	100.0
663.24359	1.3
829.37073	1.5
832.05786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	13.8
71.74805	1.1
73.02927	1.7
85.02928	5.3
87.00862	2.4
89.02430	11.7
100.95617	1.3
101.02435	15.5
113.02431	6.5
119.03484	1.9
132.51080	1.2
161.76244	1.2
244.15404	1.4
294.11783	1.4
453.21725	2.2
649.39612	13.9
742.02789	1.5
829.45959	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	874.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72865	0.7
80.20066	0.7
87.00848	0.8
87.84512	0.7
88.52226	0.6
91.03198	0.6
130.06589	0.8
156.08173	10.0
158.06107	4.2
172.07669	28.2
172.84776	0.8
174.05530	2.8
180.48079	0.8
200.07173	23.8
202.05099	59.5
209.12578	0.8
218.08153	3.9
244.06062	1.3
262.07199	100.0
263.07513	0.8
347.72263	0.7
442.41550	0.8
449.14349	1.6
499.60889	1.0
523.61389	0.8
530.09241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	20.0
73.59771	3.0
85.02937	5.1
86.06749	3.2
89.02437	14.2
97.44373	3.1
97.46737	3.0
99.00809	3.7
101.02409	24.8
113.02415	7.1
126.88801	3.0
127.79113	2.9
198.29509	3.0
215.03210	3.4
271.46460	3.3
285.20703	19.0
424.27551	3.2
447.25958	38.4
609.30542	3.7
831.38800	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	875.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18623	1.9
74.02407	2.7
84.47924	1.8
85.95881	1.9
91.54156	1.9
92.19402	3.5
114.97590	1.9
116.05045	4.6
120.37092	2.2
134.08125	1.8
142.06619	2.5
155.88557	2.0
185.04831	2.6
186.05554	8.2
203.08209	3.9
229.53877	2.2
236.82841	2.0
326.18738	4.7
329.67233	2.2
345.93481	2.2
480.70663	2.5
486.22873	8.5
501.24997	100.0
556.05566	2.5
710.21246	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	875.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16310	0.8
67.02164	0.6
69.39967	0.9
70.44799	0.8
71.01371	17.1
73.02931	17.0
74.75562	0.9
76.69521	0.7
83.01378	3.7
85.02948	7.7
87.00879	1.4
89.02425	8.4
91.35358	0.9
96.92384	0.8
99.00828	1.4
101.02431	27.7
106.92591	0.8
113.02425	15.9
117.10250	0.9
119.03487	1.8
125.02422	0.9
132.66159	0.9
143.03462	1.6
152.49205	0.9
161.04546	8.6
221.06573	1.3
253.18094	3.6
311.74985	1.1
397.22400	8.8
415.23352	18.7
440.62018	0.9
457.24448	100.0
501.23434	5.4
510.54660	0.9
598.42072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51079	3.2
65.33226	3.0
70.57608	3.9
71.01375	31.0
73.02937	8.5
79.62174	4.0
85.02940	26.9
89.02431	20.5
96.57390	3.7
99.00901	3.9
101.02417	56.7
105.76472	4.0
107.32475	3.9
113.02408	36.2
119.03450	4.1
134.06186	4.7
143.30284	3.7
155.40631	3.7
159.03040	3.7
161.04494	19.3
169.27606	4.6
219.61021	3.7
247.14513	22.9
271.03003	4.0
289.16455	26.9
331.17584	100.0
438.69080	4.0
449.81409	4.0
499.32983	36.0
799.07068	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	875.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94159	2.8
71.01379	52.0
73.02942	72.1
73.50272	2.9
83.01376	19.4
85.02952	5.0
89.02435	58.6
101.02430	100.0
113.02441	44.8
119.03497	27.5
120.50964	2.9
131.03502	11.9
133.03798	3.3
137.95453	3.3
143.03520	7.7
149.04526	19.5
159.35223	3.1
161.04509	31.6
179.05573	4.2
212.80136	3.2
221.06732	23.3
233.61566	3.0
247.14494	17.1
247.50967	3.3
260.00034	3.4
289.16608	7.7
331.17612	53.8
347.19528	3.3
372.71048	3.0
388.15927	3.2
499.32764	25.8
713.25885	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	877.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
99.08134	3.2
100.92235	0.6
101.02425	1.0
116.96915	0.6
125.09628	0.9
127.11285	1.3
137.97403	0.7
139.11322	4.7
156.15327	0.7
167.14410	1.0
171.10268	17.5
183.13873	3.2
193.12274	0.8
211.13399	36.5
229.14455	25.9
293.21335	1.6
311.22305	2.6
313.22388	0.7
329.23343	100.0
350.87442	0.7
463.79987	0.8
488.25415	0.7
871.50806	0.7
901.92230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5968
Annotation	Unknow
Peak:m/z	Relative Intensity
80.79892	0.9
87.00864	100.0
89.86584	0.8
135.29688	0.9
160.86621	0.9
224.23141	0.9
281.29770	1.3
297.80344	0.9
415.23965	1.0
491.68903	0.9
517.97668	0.9
790.58240	1.5
805.79041	1.1
878.59717	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50678	1.7
99.24688	1.8
108.02188	7.3
123.04473	8.3
130.54207	2.1
150.03181	7.8
152.01143	16.0
157.08733	2.4
165.05553	59.5
166.02728	2.3
167.02055	3.2
167.03473	99.9
180.04211	3.0
195.06625	26.0
209.04536	2.9
271.09665	2.7
315.08734	10.0
353.21692	2.7
363.10901	3.8
394.53265	2.2
512.03802	1.9
525.16144	100.0
525.23932	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	879.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21017	1.5
64.85796	1.4
71.01368	23.5
73.02933	10.8
81.99210	1.5
83.01379	2.7
85.02934	11.2
87.00863	2.6
89.02426	9.4
93.75632	1.6
99.00887	2.1
101.02435	27.4
102.94040	1.6
113.02442	24.0
119.03455	2.6
128.05171	1.8
142.00212	1.5
159.02985	6.2
161.04539	8.0
163.14845	1.8
227.33678	2.1
324.52432	1.7
331.17636	12.6
359.57074	1.7
399.23920	13.1
417.24939	17.2
459.26077	100.0
491.03864	1.8
872.93213	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	879.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25537	1.3
62.28210	1.2
66.92506	1.1
71.01371	23.0
73.02940	7.5
83.01408	1.6
83.74278	1.1
85.02927	11.8
89.02429	7.8
90.59242	1.2
92.20023	1.6
99.00826	4.3
101.02423	25.7
113.02422	15.3
159.03001	2.1
161.04549	13.0
209.15446	6.7
317.19543	1.6
335.20734	6.7
353.19675	8.8
371.20801	11.6
377.21780	43.3
413.21814	100.0
834.40936	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	880.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	4.3
73.02931	16.3
74.76091	1.8
75.57634	1.8
84.08169	2.2
89.02438	2.8
101.02422	11.3
113.02422	7.3
123.04503	22.7
130.07776	4.0
130.08714	83.7
161.04521	7.6
168.11195	1.9
181.09872	7.3
197.16585	41.3
219.13829	3.9
221.06676	4.0
225.08733	2.1
253.19257	4.1
287.41986	2.1
319.83563	1.9
338.28177	34.2
382.26996	8.0
420.84595	2.3
434.64291	2.1
506.32312	100.0
729.34369	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	881.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46849	2.7
69.03435	3.0
70.54168	3.0
70.74776	2.7
71.01359	3.0
73.02937	17.8
73.94328	3.0
77.53018	3.1
81.34737	3.3
85.22534	3.2
90.06573	2.9
92.19393	4.8
101.02432	8.0
107.45324	3.0
119.76424	3.0
131.87857	3.0
161.07175	7.2
187.08772	6.4
189.06685	73.0
203.08269	32.5
203.11880	20.7
221.06604	4.1
229.09782	43.4
277.11838	4.5
305.11411	68.4
365.13559	100.0
454.68463	3.8
505.45618	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	881.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	11.7
73.02943	1.4
85.02925	2.1
87.00844	1.3
88.91681	0.9
89.02428	20.0
89.92298	1.2
101.02422	21.3
103.27183	0.9
113.02424	8.0
119.03459	8.7
125.02445	2.0
131.03473	3.8
135.65558	0.9
142.21107	0.9
143.03499	1.5
161.04549	9.9
179.05606	11.7
221.06673	6.9
241.99474	1.1
323.09793	4.9
335.22275	100.0
341.10876	5.6
365.10324	1.3
383.11887	6.0
485.15283	2.4
659.32635	3.9
701.33124	1.5
821.38110	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02236	3.1
78.40204	2.5
82.27955	2.8
85.02847	2.6
118.03307	100.0
119.05007	60.9
151.03964	3.4
162.02289	80.6
163.03973	10.3
164.76239	3.0
165.05576	24.8
175.57930	3.1
180.79100	3.2
182.02229	3.3
195.06606	4.9
197.04530	26.8
262.00555	3.1
282.07870	13.1
319.45560	3.3
326.07043	22.6
372.92764	3.0
472.24969	3.7
555.17059	27.8
882.93964	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	882.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02928	0.5
99.05671	0.6
101.02463	0.6
102.58870	0.4
102.98574	0.5
119.05007	17.2
120.05309	0.5
121.02929	2.8
126.02225	0.5
135.04510	100.0
161.02435	6.7
163.04004	7.9
163.70682	0.5
198.37144	0.5
213.07770	0.7
215.22961	0.5
281.09805	0.5
291.17160	12.4
308.19812	6.5
313.56412	0.5
334.17740	49.2
367.10214	4.4
418.75378	0.5
470.22958	96.2
506.93375	0.5
654.74359	0.5
727.36365	0.5
783.01227	0.5
844.50012	0.6
894.67096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
138.03198	13.9
139.04007	4.8
153.01933	7.2
153.05568	33.8
166.02695	28.3
168.04237	3.2
176.01161	11.5
177.05499	3.2
180.04289	4.2
181.05096	41.5
191.03461	25.5
192.04288	15.9
193.01433	15.9
193.05084	6.6
207.06599	48.7
208.03761	48.3
215.08163	3.3
220.89345	3.2
223.06142	55.2
255.11382	5.5
347.11426	4.5
416.93246	2.9
552.24426	2.9
635.27008	3.5
882.04327	3.3
883.30164	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	883.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	43.5
71.01369	34.2
89.02428	19.8
97.85772	9.1
101.02428	44.8
101.92889	7.3
113.02444	15.4
128.59485	8.6
201.22667	8.8
264.98563	8.6
652.92065	9.1
659.32996	31.2
839.39447	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	884.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13519	0.6
70.02968	1.1
71.01369	17.3
73.02931	7.7
83.01389	1.5
85.02934	4.7
87.00853	1.6
89.02431	11.6
89.33091	0.7
91.05523	0.8
95.01365	0.7
97.02910	1.4
99.00893	1.1
101.02436	15.9
113.02435	12.2
119.03466	4.1
125.02415	1.4
125.06069	0.9
131.03482	5.1
139.07635	0.8
143.03476	1.2
147.04509	3.4
151.07629	3.0
152.08409	7.4
153.09192	22.8
161.04523	11.8
164.07153	19.1
179.05617	1.5
205.12315	17.6
206.08214	13.1
221.06621	5.4
223.13361	1.4
270.98300	0.7
292.21527	0.7
335.67532	0.7
367.17361	1.1
427.19583	10.9
529.22845	0.8
589.25006	100.0
718.56982	0.8
811.92688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	19.0
72.99297	4.0
73.02946	5.7
75.00867	18.3
83.01382	2.6
85.02941	26.5
87.00854	4.4
89.32029	2.6
95.01362	3.2
99.00853	12.7
101.02430	11.3
105.75086	2.3
113.02425	27.5
117.01939	2.3
118.47929	2.5
121.02791	3.2
131.03458	5.6
151.07600	9.5
173.04527	9.3
179.19266	2.4
180.06619	2.6
184.10757	2.3
193.03465	4.2
203.08334	4.1
210.95010	2.8
245.09340	9.4
281.11810	65.3
283.09680	2.8
359.46973	2.6
841.27612	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	885.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19556	0.6
71.01361	3.4
73.02932	3.0
74.02449	0.9
78.78960	0.6
85.21075	0.6
89.02448	0.8
101.02400	2.8
106.04221	0.9
113.02419	1.3
121.06569	45.1
147.04506	6.1
151.07678	1.5
152.08423	2.9
153.09210	11.4
161.04611	0.7
161.23856	0.6
165.05548	100.0
169.02115	0.6
171.92101	0.6
175.07831	0.7
191.78271	0.6
203.08243	3.6
205.12326	3.4
223.13423	1.1
245.09302	5.1
369.11908	52.6
373.12659	0.7
393.19904	0.9
413.11035	0.9
427.19778	17.2
610.53680	0.7
631.46326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02985	0.2
70.56230	0.2
71.01376	2.3
71.37818	0.2
73.02937	2.5
74.02440	0.4
83.01382	0.3
85.02955	0.3
89.02433	1.2
101.02431	2.5
106.04234	0.9
113.02441	1.6
116.03510	0.4
119.03454	0.2
121.06565	43.4
125.06052	0.3
138.06804	0.8
139.07643	0.9
145.25871	0.2
147.04506	6.8
151.07613	1.7
152.08391	3.6
153.09186	13.4
161.04510	0.3
161.73491	0.2
165.05537	100.0
201.10402	0.2
203.08212	1.4
205.12291	3.8
223.06122	0.2
223.13385	1.9
223.46962	0.2
243.39717	0.2
245.09229	2.2
292.26666	0.2
348.45551	0.2
367.17731	1.3
369.11874	48.9
385.18555	0.2
413.10727	1.6
422.97116	0.2
427.19699	16.7
551.23895	0.3
615.89020	0.2
836.16028	0.3
841.28912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	1.0
83.01397	1.9
84.05727	1.2
85.02937	49.0
87.00850	1.4
96.95986	2.6
101.02436	5.2
107.05003	2.6
111.00858	18.4
126.14095	1.4
129.01926	22.0
130.80782	1.2
133.06584	2.1
149.06068	12.2
163.04002	2.1
177.05554	12.1
179.03481	27.9
195.06601	1.2
205.03525	38.1
223.04602	79.0
239.03188	2.6
239.05615	77.8
369.08264	100.0
565.21313	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	885.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57688	0.4
77.61526	0.5
87.92278	0.4
92.20085	0.5
92.76222	0.4
96.35984	0.4
124.07673	0.5
135.04462	5.8
136.07706	0.8
154.08743	6.3
171.95697	0.5
180.06671	0.9
186.51639	0.5
186.87740	0.5
199.08809	2.4
207.11397	0.6
213.13956	1.1
220.57907	0.5
227.43004	0.5
239.11871	17.7
242.72879	0.5
249.12437	100.0
262.97797	0.5
308.17664	8.6
320.17654	0.9
333.14819	1.2
336.20847	3.2
360.17261	0.6
362.18762	48.4
380.19821	22.4
406.17584	4.9
424.18680	0.5
436.18472	0.8
676.65515	0.7
855.39465	4.2
885.40375	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69682	0.9
71.01369	21.1
73.02939	7.7
78.31997	0.9
79.27903	0.8
81.03462	1.0
83.01397	1.5
85.02939	7.1
87.00875	1.1
89.02422	16.1
95.01397	1.3
97.02909	1.8
99.00874	2.1
101.02422	25.7
113.02412	13.4
119.03443	4.5
125.02423	5.1
130.42729	0.9
131.03416	1.0
143.03473	1.8
159.02882	0.9
161.04543	7.3
163.68898	1.0
262.05661	0.8
295.22916	1.0
393.27878	1.1
475.28763	1.7
501.32394	11.7
560.06830	1.1
663.37823	2.0
825.42712	100.0
841.40698	8.1
885.43835	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	885.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99987	1.1
68.33528	1.3
69.03439	1.3
71.01368	30.6
73.02930	11.6
78.40158	1.2
78.78275	1.1
83.01376	2.7
85.02923	9.6
85.86330	1.4
87.00871	1.7
89.02423	28.5
95.01320	1.5
99.00854	2.2
101.02429	37.0
107.53960	1.3
113.02432	23.9
119.03472	8.4
125.02405	6.5
131.03513	2.3
134.29625	1.3
143.03468	7.0
143.04500	1.5
160.67688	1.2
161.04544	10.6
171.34529	1.3
179.05611	1.8
195.66866	1.5
221.06650	2.4
313.18201	1.6
340.89053	1.4
383.03333	1.7
445.77802	1.4
462.88269	1.4
476.04840	1.3
501.32208	9.8
663.37512	2.3
772.54626	1.4
825.42773	100.0
841.35229	2.0
884.85846	1.4
885.43225	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	887.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02476	1.6
75.00843	1.4
76.42860	1.5
92.19370	2.2
98.76529	1.8
105.01923	21.8
119.05007	33.6
124.07659	1.5
129.52954	1.6
136.07596	2.0
145.02937	26.6
154.08711	7.5
163.04004	62.8
180.06638	2.1
203.08403	2.5
213.13940	3.8
225.10132	1.8
239.11836	19.3
245.09273	3.1
253.13429	1.9
301.69446	1.7
308.17734	18.2
316.53055	1.5
317.13074	1.6
336.20908	10.7
343.14493	2.1
357.16040	1.9
360.17014	2.4
362.18738	88.8
380.19809	72.5
396.59729	1.6
406.17566	3.0
424.18808	2.9
482.24759	6.0
500.25983	2.0
570.22675	2.5
677.18475	1.7
857.32141	12.9
887.33551	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	887.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92764	1.6
67.73402	1.4
69.03460	1.7
71.01373	52.0
71.29889	1.3
71.90852	1.2
72.99328	2.0
73.02947	16.9
78.89355	1.2
82.36343	1.4
83.01376	3.2
85.02945	14.9
87.00859	7.3
89.02423	45.3
95.01374	3.7
96.96003	1.4
97.02942	2.5
99.00871	8.1
101.01789	2.9
101.02428	67.5
111.00839	2.1
113.02428	34.8
119.03453	19.2
125.02428	20.3
131.03477	9.2
143.03505	12.1
161.04544	21.9
167.03444	1.6
179.05594	8.2
203.05585	1.5
221.06699	16.7
221.08543	2.3
245.06650	8.2
315.18469	2.4
323.10059	1.8
383.12061	2.1
407.11285	1.6
477.23419	2.3
783.32898	36.4
801.33881	14.8
843.35162	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	887.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
67.07737	3.5
71.01376	62.2
73.02927	21.0
83.01377	5.6
85.02937	19.3
87.00842	5.3
89.02419	54.7
90.89653	3.3
97.02956	5.8
98.00765	4.1
99.00860	8.3
101.02424	67.9
104.67477	4.1
108.11231	3.4
113.02437	43.6
119.03494	17.5
125.02431	20.0
131.03497	15.0
136.58929	3.4
143.03433	5.8
159.03102	3.7
161.04546	29.7
172.34329	3.7
179.05559	15.1
194.91493	3.7
206.90588	4.7
221.06694	23.7
245.06696	4.9
298.62698	3.6
337.22549	4.0
783.32874	39.9
801.34021	22.3
843.35162	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	887.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27063	1.8
71.01382	19.0
73.02938	3.3
77.53529	1.7
78.73772	1.6
85.02924	7.2
87.00860	3.2
89.02427	16.6
92.47576	1.7
95.01382	3.0
97.02966	2.6
101.02425	28.1
113.02446	13.8
119.03470	4.6
125.02380	8.1
127.16871	1.7
131.03488	8.5
159.02957	1.9
161.04550	11.0
221.06648	9.0
315.19669	30.1
444.34592	2.0
477.24957	13.4
615.74805	2.5
827.43390	4.0
843.36517	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	887.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24592	1.9
62.36383	1.4
65.98501	1.6
71.01375	42.1
73.02941	13.6
78.09511	1.7
83.01400	2.0
84.76377	1.8
85.02948	3.7
89.02440	2.4
97.02927	7.6
101.02412	13.4
103.33267	1.6
104.08207	2.0
113.02426	7.2
115.00345	25.7
116.34544	2.0
116.80109	1.8
130.25334	1.6
138.06828	2.4
139.07611	2.3
151.07652	9.8
152.08427	23.7
153.09198	80.1
187.12401	1.9
205.12303	26.3
212.14462	1.8
223.13385	15.9
297.19690	3.8
299.17685	24.2
367.17612	11.3
410.25067	1.7
415.18826	18.8
424.49100	1.7
427.19736	100.0
447.19141	1.7
727.37976	23.3
843.39612	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	887.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53361	1.1
63.98355	1.1
71.01376	31.5
73.02924	8.2
77.66920	1.2
83.01353	2.4
85.02927	14.9
87.00842	1.5
89.02432	10.5
95.01388	1.7
99.00867	2.4
101.02423	26.2
113.02425	23.5
119.03448	2.6
120.95714	1.2
125.02407	1.4
152.81529	1.3
159.02982	2.1
161.04562	12.9
183.10440	1.4
224.68642	1.5
233.82121	1.6
237.09181	1.3
249.36298	1.3
270.97968	1.2
315.18143	2.4
329.94177	1.6
357.19266	18.7
373.57120	1.4
381.22690	2.3
399.23846	8.4
440.23193	1.5
441.24960	100.0
485.23911	1.6
617.27087	6.2
801.23712	1.4
843.43066	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	887.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
76.08288	0.6
84.67684	0.6
101.49572	0.6
113.02375	1.1
133.41379	0.6
136.07712	0.7
137.02466	0.7
148.04002	3.9
149.04800	2.4
150.05554	6.6
150.09210	1.1
154.05051	1.3
161.04790	1.1
164.03528	2.0
173.03545	2.3
174.04288	7.5
175.05084	3.2
175.06390	1.4
187.06339	0.7
189.06688	2.8
190.07452	2.9
191.05949	0.6
198.33293	0.6
202.08893	0.9
217.07394	2.5
231.07747	13.3
232.08519	36.4
233.09238	3.9
241.09811	0.9
242.08226	1.2
242.10580	0.8
243.07535	1.0
244.08160	7.2
245.06956	1.1
245.09302	3.2
259.10925	0.6
262.09586	3.0
268.08438	2.2
285.08719	3.3
286.09598	8.5
287.07791	0.9
287.10593	0.8
294.21835	2.6
299.13983	12.5
304.10599	1.1
313.12518	0.5
324.13547	4.3
325.11935	0.8
337.10611	0.8
382.17728	10.1
394.17606	3.0
395.16467	0.8
412.18732	2.4
436.18747	2.3
454.19748	8.4
533.35834	0.6
617.26123	100.0
646.79358	0.6
708.79590	0.6
843.43909	4.3
912.34119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72063	1.1
114.36173	1.4
123.04485	1.4
130.06546	1.7
140.04767	1.4
152.01134	8.5
156.08186	10.7
158.06114	2.6
160.64417	1.1
167.03479	15.1
172.07649	28.6
200.07159	28.9
202.05096	66.3
205.69379	1.2
218.08211	3.0
262.07199	100.0
371.73462	1.5
474.42145	1.6
581.18878	6.9
650.13239	1.3
920.77252	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	888.5491
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	4.4
79.95728	2.7
80.76492	0.3
91.00918	0.3
92.20070	0.6
96.95998	100.0
96.96900	7.0
120.49419	0.3
146.97504	0.3
149.67110	0.3
245.93303	0.3
282.11887	0.3
318.95975	0.4
341.40979	0.3
409.65005	0.3
888.55060	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	889.299
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	6.7
71.42453	0.8
73.02955	1.2
73.43980	0.9
85.02949	1.9
89.02422	10.0
96.25252	0.9
96.95992	3.8
101.02418	7.5
111.08181	8.5
113.02454	3.6
118.22947	0.9
118.65481	0.8
119.03483	3.9
123.04483	1.8
124.76122	0.9
139.07654	12.4
141.09189	1.9
141.19537	1.0
143.46881	1.0
153.09262	1.7
157.08696	39.1
165.05553	8.8
167.03456	11.0
182.79077	0.9
195.06642	4.0
199.09735	1.5
201.07710	17.4
225.96140	1.0
243.08734	3.5
315.08694	1.3
319.13928	8.5
363.13022	100.0
363.20129	2.9
387.78726	1.0
525.16248	10.8
586.02704	1.2
628.41461	1.1
698.21564	1.0
733.18793	1.0
773.62128	1.1
888.04211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	35.4
73.02944	9.8
83.01386	3.8
85.02932	9.3
85.95821	1.9
87.00842	1.7
89.02426	33.2
95.01388	2.0
97.02950	2.5
99.00855	3.3
101.02425	43.4
103.64124	1.5
113.02410	22.9
115.92757	1.7
119.03462	13.9
125.02413	9.0
128.40491	2.0
131.03474	3.9
138.23616	1.6
143.03510	3.2
161.04486	12.8
179.05630	2.5
197.77507	1.7
207.10820	1.8
221.06610	3.8
245.06589	1.7
288.52502	1.9
299.20126	2.5
317.21204	95.9
352.16736	1.8
424.20386	2.0
461.25317	2.1
479.26492	7.4
591.96045	1.9
593.40356	2.5
683.33112	2.8
785.35767	11.2
798.58453	2.1
803.36963	9.7
845.38043	100.0
889.37506	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	889.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	8.1
71.01747	1.1
72.67365	1.0
73.23789	1.2
85.02942	2.5
87.00811	1.4
89.02425	1.6
94.20341	1.4
99.00859	1.4
101.02434	5.9
113.02405	4.8
159.03027	1.2
160.08931	1.2
161.04570	2.1
167.77512	1.2
177.12794	4.5
189.12839	16.0
201.12840	8.1
219.13882	100.0
287.33374	1.4
356.75015	1.3
363.18185	7.6
421.20892	13.3
423.20255	21.5
423.83368	1.5
443.43582	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	889.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.5
85.02951	1.8
89.02446	0.6
92.20033	0.4
101.02414	1.7
113.02396	0.8
137.09715	1.6
149.09766	0.5
160.08937	4.1
161.09683	2.7
163.07585	0.6
177.12840	5.3
189.12859	19.1
191.14415	1.6
201.12859	8.9
203.10735	0.5
204.11572	2.5
219.13898	100.0
377.21863	3.9
421.20749	2.3
423.20398	2.4
535.30249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	11.7
73.02938	6.7
76.86880	0.7
80.79305	0.6
83.01373	0.8
85.02935	3.6
85.82286	0.8
89.02419	6.2
99.00844	1.0
100.90801	0.7
101.02423	12.3
113.02436	6.7
119.03470	3.2
139.22490	0.8
143.03476	1.2
151.11270	1.4
159.02989	1.4
161.04559	9.9
178.67075	0.8
181.12312	5.7
189.12845	3.1
207.13838	1.4
219.13878	15.9
225.14864	1.4
225.70200	0.8
235.08194	5.1
249.14595	0.8
334.19949	0.8
399.20142	15.7
417.21310	6.6
459.22394	100.0
503.21301	1.0
888.41827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02338	1.0
68.81235	1.1
71.01367	9.8
73.02927	5.2
83.01379	1.8
85.02913	5.1
87.00862	18.5
89.02412	8.8
101.02435	14.7
113.02428	7.7
119.03493	2.2
121.02914	1.3
123.04494	2.5
130.99857	5.7
132.00620	2.2
139.76389	1.3
160.03954	1.1
165.05562	4.1
181.15643	1.0
203.04561	1.3
217.09944	1.2
242.08199	2.0
244.09735	4.4
253.03555	5.3
254.04344	2.3
255.05014	1.8
351.10770	4.6
425.94934	1.2
457.25131	1.3
633.24103	1.1
665.39001	24.8
845.45404	100.0
859.30231	1.6
874.54236	1.3
889.30701	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	889.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36415	3.9
66.88911	3.7
67.57566	3.4
71.01370	34.9
73.02931	44.2
73.85352	3.6
83.01375	7.0
85.02925	7.2
89.02411	40.3
89.69224	4.4
101.02412	65.5
113.02415	29.5
119.03482	22.7
119.44492	4.4
123.05554	4.0
134.06102	20.2
143.03488	5.6
149.04538	6.4
160.04045	9.1
161.04501	7.3
169.79120	4.8
198.34973	4.3
202.65823	3.6
206.02022	4.5
223.14542	19.9
228.71881	4.6
229.94479	3.8
230.11871	28.6
245.12958	7.0
247.14497	53.7
273.12451	24.3
275.21396	4.8
303.13425	4.2
331.17554	35.6
331.75491	4.1
341.48898	4.2
342.14178	7.0
358.21283	5.8
368.19830	45.5
454.27008	35.2
473.23276	4.7
499.32953	100.0
550.88062	3.9
573.36438	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02633	3.8
71.01373	43.5
71.67660	2.8
73.02941	18.8
78.48367	4.2
82.16319	3.6
85.02939	22.4
92.19423	5.1
98.11574	4.1
101.02432	47.6
113.02421	22.9
133.05273	3.9
134.06110	21.9
160.04005	14.4
161.04549	21.9
175.04019	4.5
223.14539	21.0
230.11874	34.6
232.95634	4.1
245.12689	3.8
247.14507	60.2
249.52745	3.3
271.11139	3.2
273.12570	28.2
275.21265	4.8
281.41519	3.7
289.16534	39.3
319.14871	4.1
331.17596	61.3
342.14594	7.8
358.21265	7.1
368.19791	60.9
385.19946	6.6
454.27246	48.1
499.32825	100.0
517.15002	14.3
532.17346	12.8
547.19421	20.1
573.36505	32.9
727.25446	4.7
889.31091	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	891.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52895	2.1
71.01372	29.0
71.11008	2.4
73.02968	8.5
85.02951	14.6
87.29064	2.2
89.02422	27.3
101.02449	32.5
113.02433	18.3
119.03488	4.7
125.02427	5.0
131.03458	5.5
143.03506	3.3
161.04559	11.9
224.64041	2.8
247.68459	2.7
411.47382	3.0
488.19440	2.8
797.87238	3.6
847.39752	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	891.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.7
70.70044	0.9
71.01374	28.0
73.02935	9.2
83.01389	4.0
85.02935	12.2
87.00867	4.0
89.02431	24.7
94.02993	1.1
95.01387	1.8
97.02921	6.4
99.00871	4.6
101.02428	30.2
111.00855	1.6
112.01644	1.5
113.02425	18.0
119.03487	9.4
122.64143	1.0
125.02407	5.8
131.03496	5.0
143.03459	5.8
161.04503	10.1
179.05650	1.1
221.06717	5.7
299.49039	1.1
319.22754	6.0
358.46353	1.1
787.37677	1.2
805.38580	1.1
847.39587	100.0
880.92725	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	891.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	10.9
73.02932	2.7
85.02966	1.7
89.02427	9.7
101.02424	8.9
109.26974	1.7
113.02412	3.5
116.92848	1.8
119.03457	2.6
125.02452	2.8
131.03537	1.8
140.73679	1.8
161.04561	2.2
179.05557	6.9
194.04649	1.4
208.22864	1.4
221.06647	3.2
281.09021	2.8
319.22781	100.0
453.57330	1.5
487.77518	1.6
643.33978	1.8
685.34558	3.0
787.37488	8.6
805.38654	8.6
847.39514	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12301	3.2
71.01377	34.7
73.02933	17.5
85.02927	24.0
99.00847	5.3
101.02428	47.2
110.65277	3.7
113.02415	24.8
129.54172	3.6
133.48575	3.5
134.06091	19.5
152.69377	4.0
152.70636	3.9
160.03995	19.1
161.04517	22.9
170.18108	3.5
186.07494	4.8
187.97856	4.3
200.40140	3.7
203.27318	4.0
222.95444	4.1
223.14455	20.8
229.01797	3.6
230.11778	25.2
247.14462	45.4
271.17960	4.1
273.12347	17.7
275.21194	8.0
291.18124	43.9
292.61716	3.7
333.19147	67.3
342.14334	5.5
358.21494	8.1
368.19766	57.5
454.26978	37.9
499.32849	100.0
573.36957	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18168	1.6
71.01352	7.1
72.22847	1.9
89.02416	7.1
91.05500	9.9
96.04543	3.1
101.02389	1.8
106.29678	1.8
113.02465	2.4
118.06611	56.1
125.07850	1.9
137.07159	2.0
147.04521	23.1
156.08160	2.8
158.09695	10.6
164.07227	12.4
165.66452	1.8
187.12364	3.5
200.10745	8.5
212.14508	3.7
244.09779	2.2
249.12389	2.4
255.18602	3.8
298.19089	6.3
406.48636	1.9
418.21429	2.6
445.20169	7.8
446.24518	100.0
864.51929	1.8
892.45898	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18820	1.4
62.19322	1.5
65.14702	1.4
68.59688	1.1
71.01372	21.9
73.02937	7.1
75.26144	1.3
75.70682	1.2
82.00412	1.2
83.01382	2.0
83.30132	1.2
84.63173	1.3
85.02957	5.1
87.00871	6.1
89.02431	20.4
99.00890	2.1
101.02425	22.4
110.66111	1.2
113.02440	17.0
118.51120	1.2
119.03482	10.8
121.10227	5.6
131.03464	19.0
134.77739	1.2
136.95802	1.3
138.41667	1.3
143.03473	1.5
154.47215	1.3
159.02962	3.0
161.04567	22.9
171.54530	1.2
178.20811	1.2
179.05565	2.0
221.06613	15.4
251.23483	1.5
299.09213	5.3
329.10336	2.3
411.12720	1.7
549.21948	100.0
551.42047	1.5
563.23145	2.2
849.40265	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	893.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60853	2.3
70.61027	2.2
71.01366	27.2
73.02940	5.4
85.02945	11.9
89.02460	22.3
89.99236	2.4
93.78134	2.5
99.00840	3.5
101.02430	25.0
112.01658	2.8
113.02427	14.8
114.73914	2.9
119.03432	9.1
124.18154	2.6
125.02389	5.9
131.03481	4.0
143.03503	3.5
161.04567	5.2
199.06326	2.4
269.16052	2.6
321.24289	19.8
465.28458	3.9
483.29672	17.3
669.69177	3.4
789.38678	5.4
849.41132	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	895.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00982	1.6
69.03416	1.7
71.01372	33.3
73.02916	14.5
83.01387	8.0
85.02935	19.9
86.90708	1.9
87.00858	2.4
87.41346	1.8
89.02422	11.1
91.80075	1.7
95.01375	2.6
97.02914	3.7
99.00830	3.1
101.02431	39.0
113.02422	21.7
119.03468	3.8
125.02428	10.0
125.17030	1.5
128.79289	1.6
143.03453	2.1
145.98560	1.9
161.04532	9.4
182.18797	1.7
293.90302	1.7
411.29318	1.9
485.32761	25.0
493.10934	1.7
545.28503	1.9
710.20667	1.9
791.42133	68.1
809.43591	29.4
851.44281	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	895.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
67.92338	2.7
74.99302	2.2
80.60719	2.9
82.92286	2.4
84.60291	2.5
113.63902	2.8
129.06667	3.9
130.08713	11.3
141.76517	2.5
200.14069	9.8
201.12497	4.7
214.15565	4.5
224.13957	3.9
226.11836	3.7
239.15288	3.4
257.16144	12.4
258.14468	4.6
267.18262	2.7
285.19357	6.5
314.18292	6.0
329.18216	4.6
347.97574	2.5
355.24054	2.7
370.25128	2.7
398.27518	5.4
427.26843	4.1
442.26718	5.4
499.28900	4.9
895.52551	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	897.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75508	1.5
63.98285	1.6
69.64745	1.5
71.76473	1.6
75.34392	1.6
90.00530	1.9
108.02147	3.5
121.14915	1.9
123.04501	9.6
130.53609	1.7
150.03209	9.8
152.01135	24.7
165.05539	63.7
167.02028	3.4
167.03471	100.0
179.03487	4.1
180.04211	2.2
194.02298	2.5
195.06648	26.8
205.25798	1.8
209.04538	25.5
209.41591	1.6
225.07632	2.5
230.11684	1.7
256.07529	2.7
291.42184	1.9
312.73749	1.9
315.08734	7.9
341.08908	2.1
363.10861	3.9
525.16125	97.3
555.16656	3.9
602.60468	1.9
651.83771	2.1
784.65833	2.1
843.15979	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	897.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00552	0.9
77.32714	0.9
97.06570	1.4
123.08144	20.5
125.09706	17.3
141.09264	1.8
150.03203	4.0
151.07631	27.5
153.05557	4.3
165.05548	24.3
169.08687	18.8
182.02150	8.8
195.06638	17.6
197.04546	30.3
213.07692	100.0
219.25069	1.1
237.91003	1.1
239.05629	1.2
301.10684	1.2
345.10040	1.1
393.11865	2.0
426.08774	1.1
555.17194	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37442	2.2
71.01375	46.7
72.24504	2.3
73.02934	100.0
83.01392	18.8
85.02906	4.3
87.00843	3.7
89.02422	51.6
101.02435	88.2
113.02415	39.7
119.03470	17.5
141.95497	2.9
143.03500	5.1
149.04529	22.0
161.04523	38.9
176.52390	2.8
179.05571	15.3
214.78458	2.6
221.06657	27.2
285.11395	3.3
303.14551	25.0
331.70941	2.7
341.10226	29.2
356.12689	11.0
371.14975	22.0
435.13016	3.0
542.73248	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	899.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09595	0.6
67.05502	0.9
68.38494	0.7
78.93504	0.7
97.06609	0.8
123.08138	20.8
125.09706	16.9
133.06577	2.5
141.09204	3.0
151.07637	26.9
169.08688	17.2
195.06503	4.7
206.55496	0.7
213.07690	100.0
269.73529	0.8
323.35938	0.7
377.14468	0.8
819.50287	0.9
839.96429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64091	1.8
67.47516	1.7
70.68619	1.6
71.01350	1.8
82.02986	7.6
84.04533	53.3
85.02930	15.3
100.04031	25.5
111.53636	2.0
128.03520	43.4
129.01949	3.8
160.07668	2.6
188.10797	7.4
204.10255	11.5
232.09779	89.2
250.10822	82.4
268.17868	2.1
292.11905	100.0
357.89243	2.2
690.25897	2.7
884.25793	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	900.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	28.3
73.02936	100.0
77.97400	1.1
83.01376	20.8
85.02929	5.3
87.00879	1.2
89.02423	13.1
96.22355	1.2
101.02425	58.9
113.02432	22.9
119.03471	6.4
125.02387	1.5
131.03500	1.9
134.06094	6.7
143.03435	5.0
149.04514	11.4
152.86247	1.2
153.17650	1.1
155.03456	1.5
160.04070	1.4
161.04523	19.2
203.05580	4.6
211.20155	1.5
221.06577	6.5
223.14561	1.8
247.14484	17.0
329.15985	1.3
342.14688	12.5
358.21298	2.1
385.20099	2.6
524.29578	1.5
526.30432	34.9
931.20313	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	901.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02956	8.2
70.03539	1.0
72.04540	4.3
74.02464	32.2
85.73171	0.9
89.02445	1.5
90.33330	1.3
90.37928	0.9
98.02460	7.1
116.03539	18.2
116.05003	8.7
139.18755	1.0
158.12642	1.2
158.94397	1.0
159.09306	1.3
161.04607	1.2
195.06564	1.8
201.10318	7.1
203.08263	69.8
223.06146	3.6
245.09306	100.0
289.08499	4.1
350.75598	0.9
533.69757	1.1
611.19818	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	901.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78326	0.8
83.01374	1.0
85.02933	29.0
101.02386	1.4
107.05026	3.8
111.00856	9.3
121.04729	1.0
129.01949	10.2
133.06551	0.9
147.07169	0.9
149.06075	14.8
163.03986	1.8
177.05542	16.9
179.03471	31.4
179.12823	1.2
195.06615	4.3
198.08667	1.0
205.03503	20.4
221.04514	2.1
223.04567	38.4
239.05595	100.0
369.08237	59.1
411.94513	1.1
625.45148	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	901.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54581	1.7
62.63825	1.9
71.01370	26.2
73.02946	9.2
85.02923	7.9
87.00836	3.7
89.02433	32.9
89.16557	1.9
99.00886	2.3
101.02425	31.9
103.95680	2.2
113.02417	21.5
119.03482	13.7
120.95879	1.8
125.02402	4.4
131.03500	7.0
143.03426	3.1
150.92859	2.1
153.70128	2.0
161.04544	11.1
179.05569	2.4
192.65944	1.9
208.12906	1.9
213.94896	2.3
221.06589	10.3
319.09991	1.9
350.81287	1.9
377.31595	2.4
829.19812	2.1
857.40320	100.0
901.43768	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	901.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56688	0.7
62.77332	0.8
65.49531	0.7
66.19749	0.8
71.01368	14.7
73.02935	1.6
75.88152	0.7
81.30368	0.7
83.01379	1.1
85.02939	5.8
87.00856	1.6
89.02432	16.1
92.19886	1.0
95.01345	0.9
101.02435	17.8
104.70808	0.8
110.41695	0.8
112.01621	0.8
113.02451	8.9
119.03468	4.4
184.72353	0.8
213.95798	0.8
232.09651	0.9
234.42673	0.8
292.11807	1.3
293.04626	12.7
305.50613	0.8
351.48010	0.7
373.84134	1.0
386.04321	0.9
410.69818	0.9
457.88120	0.9
473.10977	4.0
537.41980	1.0
901.44464	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	902.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21520	2.1
71.01361	3.6
82.02967	3.6
84.04533	44.1
85.02953	13.3
88.79073	2.1
89.02436	2.4
100.01051	2.1
100.04045	24.9
101.77646	2.5
108.40397	3.0
109.61417	2.8
128.03520	37.0
172.81514	2.3
187.50859	2.3
188.10783	4.0
204.10274	9.5
232.09772	84.9
250.10847	73.6
251.11145	3.8
292.11935	100.0
293.12125	8.5
310.18756	2.3
328.41800	2.5
466.00421	2.5
510.19531	2.4
884.48395	2.9
902.43677	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	903.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02966	7.3
71.18519	0.8
72.04530	0.9
72.99294	0.8
74.02464	30.3
77.31305	0.8
92.19955	0.8
98.02460	8.0
116.03514	19.8
116.05015	7.8
142.06602	1.1
159.09224	1.7
165.05629	1.0
181.05101	1.4
183.09300	1.1
195.06596	3.5
201.10336	6.1
203.08263	65.1
223.06120	3.7
225.07706	3.1
240.06422	3.2
241.07152	1.6
245.09293	100.0
255.08788	7.8
277.56534	0.7
289.08249	4.9
403.14114	0.8
451.16034	5.5
613.21478	16.5
690.51233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02959	8.2
72.04531	1.0
74.02463	36.4
98.02451	6.8
106.46498	0.8
110.67487	0.7
111.42317	0.8
116.03523	21.2
116.05032	7.9
117.02780	0.7
159.09245	1.4
180.04300	3.3
181.05063	2.9
186.05629	1.1
191.47289	0.8
195.06622	11.4
201.10332	7.2
203.08264	72.6
210.05322	1.4
211.05815	0.8
218.08969	1.0
225.07681	11.0
235.47855	0.7
245.09297	100.0
254.28867	0.7
263.17978	0.8
263.75009	0.6
289.08322	4.9
451.16049	6.1
613.21399	18.9
648.78223	0.8
697.23737	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	903.314
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	8.6
89.02438	7.7
101.02444	6.2
107.05026	3.8
113.02436	2.6
119.03480	2.6
125.09686	7.2
135.04512	46.6
153.05586	3.6
153.09146	13.5
160.55527	1.7
165.05576	24.9
167.10721	3.8
171.10271	34.9
182.02162	18.7
197.04565	70.4
197.08185	8.1
197.88808	1.8
215.09248	24.8
257.10245	3.3
333.15610	3.3
359.13452	2.2
377.09781	4.5
377.14545	100.0
439.71756	1.9
471.61002	1.9
525.16095	83.4
533.38965	2.3
657.52106	1.7
750.39575	1.9
877.07843	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	905.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39658	0.6
71.01360	1.5
87.00862	12.2
95.01402	0.8
96.97004	0.7
99.00889	4.4
101.02412	0.8
103.45334	0.6
111.00884	1.0
112.98781	3.3
121.78725	0.6
123.00874	2.5
142.99817	4.3
145.01437	0.8
147.50523	0.6
153.05583	3.3
173.00899	2.4
174.01678	3.7
178.06404	1.1
179.07118	1.1
181.05042	2.8
185.32880	0.6
191.07098	1.0
193.08711	12.1
194.05843	4.1
206.05824	1.5
209.08191	16.9
221.08147	6.6
233.08141	1.0
235.06064	1.1
249.07695	7.8
251.09398	1.0
262.04794	4.2
265.07181	10.5
276.06351	3.3
277.07162	33.5
291.08871	1.4
295.08078	1.5
337.09320	10.6
394.77460	0.6
410.38046	0.6
464.07690	0.8
472.13550	0.7
563.16180	100.0
632.21155	0.7
818.87665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99664	1.4
71.01372	13.1
73.02935	41.6
83.01369	9.3
85.02946	2.5
89.02435	4.9
99.29601	1.5
101.02435	34.2
105.39174	1.3
113.02432	9.0
119.03519	1.4
121.10211	23.6
131.03477	1.7
150.94490	1.2
161.04611	2.8
221.06660	2.3
227.65054	1.5
353.39130	1.5
387.16602	100.0
429.21097	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	905.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27573	0.5
74.02457	3.3
96.04544	0.9
100.91146	0.7
113.98093	0.6
116.05045	3.3
123.06873	0.7
124.07685	0.7
140.03481	0.8
141.05830	4.6
142.06636	0.8
144.04538	1.1
155.05881	0.9
157.07646	0.7
185.04825	3.3
186.05594	5.8
196.11281	1.1
201.10378	3.4
203.08278	3.1
239.11821	0.7
292.54694	0.7
313.17862	0.8
325.17694	4.1
326.18695	9.1
328.20306	0.8
357.17007	3.3
372.19308	4.7
454.52118	0.7
474.22717	3.1
477.86536	0.6
486.22778	7.6
501.25085	100.0
890.30389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76363	2.6
71.01368	50.0
73.02937	90.4
75.64137	2.7
83.01382	17.7
85.02918	7.2
89.02419	16.7
89.61861	3.6
95.62798	3.3
99.00895	3.7
101.02428	79.7
103.18033	3.1
109.76936	2.8
113.02434	39.8
119.03470	11.6
131.03456	4.0
143.03487	4.8
149.04539	14.6
161.04539	31.3
183.69864	3.0
212.72205	3.1
221.06638	27.1
290.21756	3.2
353.62622	3.0
439.23413	5.5
441.24902	100.0
580.18591	3.7
599.83862	3.3
726.64545	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	907.381
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	20.7
73.02922	14.9
83.01360	2.4
85.02951	3.8
86.04029	1.6
89.02425	19.8
101.02428	27.8
113.02443	19.1
115.74010	1.7
118.00596	1.8
119.03445	8.6
143.03424	1.8
149.04472	2.3
155.10715	1.7
161.04553	3.2
179.05548	3.2
209.11861	2.1
212.42987	2.0
213.07655	7.1
221.06598	2.0
347.17435	4.3
357.76102	2.1
411.20212	9.1
429.21301	7.6
443.88663	1.8
470.20941	2.6
471.22336	100.0
515.21301	7.5
841.75500	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	907.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	33.1
73.02936	78.1
83.01379	15.8
85.02965	4.0
85.92767	1.8
89.02448	11.3
89.89163	1.7
99.00894	2.6
101.02420	70.4
109.14849	2.1
109.55057	2.0
113.02422	25.8
119.03495	8.6
131.03473	3.0
143.03517	2.6
145.02985	3.0
149.04527	3.1
161.04535	33.1
163.04068	2.2
221.06712	20.5
305.16095	11.8
347.17105	100.0
373.18634	14.0
391.19681	10.8
427.19836	3.7
473.23959	8.1
617.18774	2.1
635.63226	1.9
739.40637	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	907.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	33.1
73.02936	78.1
83.01379	15.8
85.02965	4.0
85.92767	1.8
89.02448	11.3
89.89163	1.7
99.00894	2.6
101.02420	70.4
109.14849	2.1
109.55057	2.0
113.02422	25.8
119.03495	8.6
131.03473	3.0
143.03517	2.6
145.02985	3.0
149.04527	3.1
161.04535	33.1
163.04068	2.2
221.06712	20.5
305.16095	11.8
347.17105	100.0
373.18634	14.0
391.19681	10.8
427.19836	3.7
473.23959	8.1
617.18774	2.1
635.63226	1.9
739.40637	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	907.382
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44473	0.8
71.01369	16.1
72.00230	0.7
73.02937	4.5
83.01382	1.5
83.70818	0.7
85.02945	4.3
87.00864	3.7
89.02430	15.2
94.19086	0.6
96.96034	1.0
97.02961	1.3
98.40962	0.7
99.00858	1.7
101.02423	16.8
111.00873	0.9
112.01625	0.8
113.02442	8.8
114.83011	0.9
119.03494	6.7
125.02411	5.4
131.03491	4.0
141.01932	0.8
143.03461	3.4
161.04538	6.3
171.24449	0.8
221.06697	5.1
250.47525	0.7
271.04742	0.8
275.20026	5.9
317.21191	8.4
335.22229	18.2
350.11395	0.8
450.03406	0.9
479.26443	16.4
497.27518	26.0
539.28668	4.8
574.98932	0.8
650.08038	1.0
659.32690	1.2
685.54834	0.9
803.37170	1.1
821.38275	3.5
863.39178	100.0
907.37408	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	907.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52327	0.9
71.01376	18.3
72.43098	0.7
73.02927	4.9
83.01394	1.0
85.02953	4.8
87.00869	1.9
89.02441	19.0
89.05370	0.7
95.01401	1.4
96.73529	0.8
97.02937	3.5
99.00871	3.2
100.33290	0.8
101.02433	17.8
111.00855	1.0
113.02436	13.8
119.03477	6.7
125.02410	7.4
131.03491	4.9
143.03549	1.7
145.05013	0.9
161.04561	6.9
179.05652	1.7
179.36684	0.8
221.06660	5.4
245.06706	1.6
275.20108	1.7
277.52026	0.8
304.92429	0.8
317.21170	5.9
335.22372	12.4
479.26675	6.4
497.27509	14.2
726.20111	0.9
803.36578	1.4
863.39258	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	907.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	9.5
73.02922	3.6
75.05391	0.4
79.02006	0.4
84.87353	0.4
85.02943	3.0
87.00861	1.1
87.69393	0.5
89.02431	13.4
95.01333	0.7
96.95999	0.6
97.02948	0.8
98.41963	0.5
99.00870	0.8
100.24641	0.4
101.02429	12.3
108.88581	0.4
113.02405	7.3
119.03484	5.8
125.02433	4.6
130.49931	0.5
131.03494	2.3
143.03531	1.9
161.04564	5.3
179.05577	5.6
207.03992	0.5
221.06616	4.0
305.08743	0.9
311.16385	0.5
323.09900	3.7
335.22290	100.0
341.11157	0.5
365.11023	0.6
383.12085	1.0
392.59778	0.6
467.14127	1.1
527.16943	0.6
641.31482	0.7
659.32751	1.6
677.16571	0.5
701.33673	1.9
803.37238	6.8
821.38361	4.7
863.39233	29.2
907.38354	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	907.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43758	1.0
65.76452	1.0
69.03483	1.0
71.01372	32.1
73.02920	7.7
79.52187	1.2
82.73791	1.0
83.01381	1.7
85.02940	9.4
87.00861	5.6
89.02436	32.8
95.01339	1.8
97.02941	4.4
99.00868	5.3
101.02433	38.7
103.34595	1.0
111.00853	2.0
113.02447	21.1
119.03478	14.5
125.02396	9.3
126.65378	1.1
131.03447	7.4
143.03473	5.5
155.03540	2.0
155.08229	1.9
159.03030	1.1
161.04584	16.1
163.03992	1.4
179.05612	2.4
180.06670	6.6
181.07013	2.3
221.06700	6.5
223.14485	1.9
224.14812	1.2
245.06624	2.2
275.21393	4.3
276.21652	2.2
317.21277	1.5
319.20306	1.4
335.22168	14.7
377.23184	1.8
385.70755	1.2
420.72803	1.1
500.27661	5.1
501.27911	8.5
502.28259	5.8
524.02350	1.1
591.82306	1.2
600.62036	1.1
803.37787	1.7
821.38080	1.3
863.39160	100.0
907.37805	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	907.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	23.1
73.02937	6.4
83.01366	1.4
85.02937	6.6
87.00866	3.8
89.02425	20.5
95.01366	1.7
97.02934	2.2
99.00858	1.3
101.02420	23.8
104.38700	1.2
111.00881	1.4
113.02434	18.1
119.03457	6.8
125.02428	6.4
130.26492	0.8
131.03476	3.7
143.03447	3.6
145.05034	1.1
161.04567	7.2
179.05592	1.5
185.87349	1.0
221.06668	4.8
275.20169	4.6
293.87857	0.9
317.21103	1.8
335.22263	20.2
479.26660	10.1
497.27548	15.5
545.17334	1.1
587.18286	6.8
863.39215	100.0
928.51520	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	907.383
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	22.0
82.10479	9.0
89.02416	23.3
97.97194	8.2
101.02412	11.3
116.92751	9.6
140.74359	9.6
223.62433	11.1
661.98169	12.4
793.96820	12.1
863.39056	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	907.455
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	32.5
73.02942	31.9
83.01367	5.7
85.02940	12.3
89.02435	23.6
97.52946	2.5
99.00864	3.5
101.02431	47.7
107.36465	2.3
113.02418	37.1
119.03477	10.8
123.81329	2.7
126.40340	3.0
143.03468	5.3
144.07997	2.6
153.92035	2.4
159.02962	3.3
161.04527	16.7
165.55936	2.4
217.28334	2.5
221.06706	3.6
317.19388	3.1
331.22241	2.7
335.20691	24.7
377.21799	100.0
389.24759	2.4
441.24973	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38457	0.3
66.20258	0.3
73.02924	0.4
75.00891	0.3
76.10587	0.3
78.80519	0.3
80.39868	0.3
91.10124	0.3
94.81313	0.3
98.55286	0.3
99.92586	4.2
114.93434	0.4
116.92847	100.0
117.01932	1.5
140.68002	0.3
147.41548	0.3
154.44307	0.4
340.85275	0.3
402.03107	0.4
790.59479	0.5
893.55585	0.4
908.51971	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	909.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	42.6
73.02930	10.9
76.93268	2.2
83.01369	3.1
85.02937	14.4
87.00848	2.5
89.02427	53.8
90.11381	2.3
95.01377	3.7
97.02934	8.6
99.00854	10.3
101.02429	50.4
113.02425	38.8
119.03489	23.1
125.02446	19.6
131.03447	4.5
133.23209	2.3
141.01949	3.5
143.03496	13.2
161.04514	18.5
179.05626	11.8
211.67960	2.4
221.06757	9.5
263.07437	2.7
277.21805	4.3
337.23935	3.2
341.10678	3.4
431.62268	2.3
564.48145	2.5
805.38373	25.8
823.39612	11.9
865.40656	100.0
909.39746	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	909.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	17.3
73.24812	11.3
74.56697	12.3
76.61452	10.0
80.51016	11.3
101.02460	15.9
119.24498	11.8
128.50806	11.7
131.06497	13.2
163.10524	11.7
215.05582	18.2
258.18509	12.3
294.18494	12.0
429.21143	65.2
489.23300	100.0
657.77631	12.7
750.02826	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	909.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21782	2.8
71.01371	56.9
73.02928	6.9
83.01393	3.8
85.02934	18.8
87.00886	5.4
89.02436	43.3
101.02431	62.1
113.02428	37.8
119.03459	25.7
125.02429	21.9
135.05386	4.0
143.03433	8.0
161.04529	21.6
221.06705	5.8
266.93488	3.7
277.21365	4.1
307.87103	5.0
348.99420	3.6
805.38544	31.3
823.39368	24.1
865.40961	100.0
909.41156	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	909.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
75.43144	3.5
88.19358	3.7
92.20045	6.4
112.08852	4.1
127.47910	3.5
135.04480	24.6
136.07652	6.4
152.70547	3.8
212.52516	4.1
234.11131	3.6
239.11942	8.2
251.13991	92.7
256.54141	3.8
276.13510	100.0
276.16327	3.4
293.16214	48.9
360.17145	25.8
362.18735	81.1
373.15408	6.3
380.19977	6.8
612.31952	4.3
630.74103	4.4
637.31342	7.5
654.34308	4.7
716.34094	6.1
835.42010	7.0
875.39294	4.2
879.40179	77.5
883.86169	3.5
909.41595	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04880	0.9
71.01367	5.3
71.29948	0.9
73.02938	2.2
74.02451	5.6
75.00868	1.0
85.02924	2.3
96.04555	1.0
98.06119	1.2
100.00396	1.1
100.51405	1.1
101.02422	5.9
103.65414	1.0
110.06100	8.1
113.02413	5.6
116.05035	19.1
124.07655	15.5
129.98170	1.0
130.06569	1.3
137.04807	4.5
138.37502	1.0
142.06575	1.4
147.73495	1.1
148.53188	1.0
156.06700	2.6
157.07666	9.9
158.09753	4.2
159.09265	1.4
187.12378	6.8
201.61810	1.1
203.08220	9.4
239.11836	4.0
267.15213	1.4
283.10849	1.5
284.11713	1.4
285.12463	1.9
291.18176	4.0
298.19336	1.2
312.20868	1.7
338.18643	4.1
356.19849	21.6
381.97632	1.1
396.19965	1.0
423.22461	4.4
441.26373	4.8
485.25549	100.0
564.48157	1.2
909.48590	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	39.2
73.02928	100.0
80.88271	5.1
81.86333	6.2
85.02932	8.5
89.02429	20.7
101.02429	82.2
113.02464	47.1
119.03461	12.6
134.66963	7.1
137.09702	12.7
149.04535	12.4
161.04536	45.1
217.30800	5.8
219.19948	6.7
221.06752	12.9
260.31619	6.1
301.91675	5.8
349.09460	7.9
351.10959	6.8
389.74109	7.1
411.20120	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.413
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	20.5
73.02574	1.5
73.02942	24.2
83.01366	2.5
85.02936	7.9
86.01939	1.1
87.00887	1.5
87.08696	1.4
89.02432	14.2
95.01369	2.0
101.02425	32.0
112.01592	1.1
113.02432	19.2
119.03480	8.3
123.10465	1.2
125.02363	1.4
131.03477	1.6
145.02937	1.3
145.35997	1.2
149.04564	1.7
152.08408	2.9
161.04530	6.7
189.14952	5.1
207.54662	1.3
221.06586	1.6
225.14886	2.9
256.82993	1.3
333.19095	7.8
351.20328	10.3
369.19168	6.1
387.20386	12.1
393.21347	50.7
408.34790	1.3
429.21307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00765	4.5
71.01354	44.2
73.02943	7.1
81.06576	4.7
85.02930	19.4
89.02431	23.7
94.96955	5.0
96.96020	6.8
101.02407	48.4
106.25523	5.3
113.02421	31.2
119.13626	5.5
125.02426	21.8
125.85852	5.6
136.58299	5.8
139.03967	5.3
161.04526	12.2
224.02147	5.0
224.14879	5.0
259.62445	5.5
313.67282	5.4
501.32059	22.5
807.41516	100.0
825.42383	33.6
867.43317	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05537	1.4
106.35673	0.9
118.06619	7.1
134.93896	1.0
136.18925	1.0
144.04277	1.0
147.04523	14.2
164.07167	37.2
169.10213	1.0
200.10898	1.6
219.15056	10.2
464.25558	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	911.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05500	3.4
95.24683	0.7
98.12173	0.8
111.86685	0.8
118.06592	8.5
121.87374	0.7
144.00301	0.7
147.03430	1.3
147.04498	14.9
154.42365	0.9
164.07164	36.5
200.10803	1.4
214.15912	0.9
219.14986	11.3
244.09410	0.8
245.10545	1.4
431.01855	0.8
432.22870	0.8
446.24408	1.5
464.25528	100.0
480.44089	0.8
572.35803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.6188
Annotation	Unknow
Peak:m/z	Relative Intensity
112.07687	2.2
121.02945	100.0
130.08727	2.2
133.83571	1.5
144.06750	1.5
174.50371	1.5
225.16083	7.3
303.11850	1.8
333.04843	1.7
401.86197	1.8
724.61462	2.3
790.58289	39.5
813.20734	1.9
912.61633	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95121	2.8
71.01372	27.0
73.02935	32.0
74.40472	2.4
83.01383	4.5
85.02916	13.0
88.04409	2.8
89.02429	12.7
89.27351	3.2
101.02413	36.2
113.02419	26.1
147.30861	2.7
148.60941	3.0
161.04527	13.7
221.06647	7.0
226.27989	3.0
353.19568	10.5
411.20236	18.9
413.21829	100.0
891.21021	3.2
913.38000	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	914.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
91.99751	2.1
100.08665	2.4
118.06583	10.2
132.56346	2.1
143.15726	2.1
147.04482	2.2
185.23935	2.4
187.74406	2.1
189.12836	20.9
201.12813	11.1
207.81927	2.0
219.13885	100.0
354.68784	2.1
423.20404	4.4
446.24445	22.0
870.45319	19.6
895.80164	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	915.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02953	0.8
70.66074	0.6
71.01375	5.2
73.02925	3.2
74.02467	8.7
83.01425	1.3
85.02935	3.8
90.44277	0.6
98.02441	1.0
99.00817	1.4
101.02436	5.4
112.01646	0.8
113.02415	4.0
116.03519	5.1
116.05042	1.4
119.40208	0.7
121.40882	0.6
122.02777	0.6
122.03659	1.1
133.02943	4.5
134.03767	0.7
149.02417	3.6
149.06055	2.9
150.03206	13.8
159.09238	1.1
164.04770	4.5
165.05542	23.8
180.04332	1.2
181.08679	4.5
195.06549	3.3
201.10291	2.6
203.08249	16.9
245.09251	15.2
301.03482	0.8
314.11603	2.7
325.12985	4.9
329.13913	14.1
343.13910	3.5
387.41800	0.6
458.16083	1.2
473.18088	10.6
491.19269	13.3
521.20245	1.0
533.20020	10.1
581.22406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05393	0.4
69.91928	0.5
71.01379	3.6
73.02930	4.5
81.56156	0.4
83.01353	0.8
85.02945	0.6
86.94194	0.4
89.02435	1.7
92.62746	0.4
96.66437	0.4
101.02422	5.0
105.97955	0.4
108.48405	0.4
113.02420	2.5
119.05002	100.0
147.56140	0.4
151.11359	0.5
159.02959	0.8
161.04558	0.8
163.03992	42.7
181.12352	0.7
189.12871	0.5
198.36452	0.4
201.12994	0.4
219.13904	1.9
233.40472	0.5
236.44481	0.4
267.11334	0.4
297.75937	0.4
321.16663	0.5
367.10333	40.4
399.20206	3.9
411.09366	1.9
416.09891	0.5
417.21246	0.7
459.22415	20.7
459.28635	0.9
512.07001	0.4
625.36340	0.4
807.04291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
74.90318	0.8
95.04304	1.0
109.14727	0.9
111.36414	0.9
138.03233	4.4
153.05534	9.2
182.02209	16.8
196.03731	3.7
197.04550	100.0
211.06088	10.8
224.03247	1.1
239.05574	8.4
407.13467	4.3
569.18768	56.5
679.45984	1.0
703.84283	1.1
811.56976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	14.2
73.02949	6.5
83.01395	2.1
85.02931	5.7
89.02454	5.2
95.01335	0.8
96.53603	0.5
99.00871	0.9
101.02430	18.6
113.02441	9.1
119.03469	1.1
125.64734	0.5
142.30574	0.6
143.03494	1.0
155.36711	0.7
159.02946	2.3
161.04536	8.1
163.97089	0.6
209.15417	4.9
353.19687	7.4
371.20761	10.9
386.74765	0.5
413.21869	100.0
617.45923	0.9
622.47882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	49.8
71.35815	6.4
73.02934	66.4
75.31686	6.1
76.77054	7.2
80.21780	6.8
83.01395	12.4
88.40323	6.7
89.02420	11.5
91.29148	7.6
91.33339	7.2
101.02425	83.2
102.98581	9.6
113.02420	35.2
121.02927	9.6
143.03525	7.7
161.04544	16.5
168.62393	7.2
174.20673	7.7
221.06657	9.6
371.20752	9.9
413.21976	100.0
418.66711	9.0
614.82678	10.0
915.38007	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	915.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68653	0.2
70.50784	0.3
71.00978	0.5
71.01370	12.4
73.02934	6.6
83.01363	2.0
85.02936	6.3
87.00850	0.3
89.02431	5.0
95.01373	1.1
97.02921	1.2
99.00864	2.3
101.02425	18.2
108.93968	0.3
113.02428	11.0
119.03484	1.2
131.03456	0.3
135.31743	0.3
136.40315	0.3
143.03503	1.5
149.09573	0.3
159.02965	2.0
161.04524	8.6
167.42732	0.3
209.15448	4.9
240.85156	0.3
257.36533	0.3
353.19693	7.2
371.20721	10.0
413.21811	100.0
429.89941	0.3
478.20285	0.3
495.15784	0.3
519.89465	0.4
650.47607	0.3
948.70135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.534
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	41.9
83.38140	9.0
85.02914	11.9
89.02488	12.3
91.49849	9.8
101.02444	49.5
113.02419	38.2
134.06133	36.3
145.84114	9.6
161.04515	23.6
163.61165	9.0
223.14453	11.5
230.11873	17.7
247.14456	41.7
273.12473	20.8
315.18149	37.4
337.84900	9.1
342.14743	10.2
357.19073	64.6
368.19785	74.8
454.27002	48.4
493.60934	9.9
499.32907	100.0
573.36578	46.5
593.88818	11.6
692.25793	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	916.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
129.05598	1.3
135.98395	1.0
148.04033	14.2
150.05586	2.1
154.05116	1.8
156.08138	1.1
160.04031	1.2
161.04800	27.1
175.05128	26.4
195.07802	1.0
197.09242	1.4
200.07104	3.3
201.09299	2.0
202.08723	5.6
203.04616	13.5
216.06709	7.6
226.08733	1.1
229.07401	1.1
231.07703	1.1
232.08502	9.6
233.09291	26.6
243.11211	1.0
244.09799	67.6
245.06993	1.1
245.09305	5.4
262.07166	5.6
263.10333	1.3
286.09583	4.6
287.10400	5.9
299.10349	1.7
305.11334	4.7
315.02936	1.0
356.12732	1.5
357.13370	1.3
370.17657	3.7
457.48984	1.0
486.18893	24.3
506.86975	0.9
605.57324	1.0
623.26984	14.4
653.28271	100.0
906.40698	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	917.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00850	4.4
105.01926	9.2
119.04997	19.3
129.33752	1.1
135.04524	8.5
140.97076	1.0
144.41685	0.9
145.02922	6.4
161.02435	12.2
163.03993	100.0
179.03479	26.9
190.45459	0.9
191.45827	0.9
286.22549	0.9
295.36441	0.9
341.08871	8.5
413.10928	56.4
414.11343	1.1
503.14026	26.6
572.09564	1.0
651.94714	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	917.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	2.3
73.02934	2.1
75.00833	1.3
75.74355	1.3
83.01360	4.9
85.02935	100.0
101.02434	9.0
111.00861	33.2
119.05000	4.8
121.25160	1.1
127.59296	1.1
129.01935	38.0
161.04500	1.9
163.03967	13.7
187.02405	2.0
205.03502	34.5
223.04604	38.0
293.55914	1.2
335.54706	1.2
369.08255	76.8
519.02448	1.3
533.97791	1.2
541.35120	1.5
685.36072	1.3
702.20831	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	917.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	7.2
73.02924	3.5
74.55476	0.9
83.29407	1.0
89.02421	2.2
101.02428	6.3
113.02419	1.3
145.07701	1.7
160.06436	3.5
161.07187	13.9
175.08754	9.0
185.10832	2.2
186.81430	1.0
187.08728	10.3
189.06694	77.7
201.10300	7.7
203.08264	39.5
203.11879	23.1
229.09799	48.0
249.00366	1.1
277.11942	9.1
305.11429	83.4
365.13519	100.0
604.40314	1.1
873.39160	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	917.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	30.5
73.02942	13.2
87.00895	2.9
89.02430	40.8
101.02430	41.5
113.02447	22.6
119.03493	19.8
125.02435	6.4
131.03447	10.8
143.03517	6.3
144.85913	2.6
161.04506	22.0
179.05577	11.9
202.86153	2.4
221.06737	18.7
225.84570	3.1
257.82523	2.9
383.11951	6.0
873.32257	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	917.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	2.1
73.02938	1.5
82.02956	1.3
87.05621	2.2
88.04022	18.4
89.02438	2.4
92.49213	1.4
97.82410	1.1
97.88365	1.1
100.04033	13.9
101.02421	6.7
109.23488	1.1
111.00751	1.3
112.04022	7.4
112.09084	1.4
118.79812	1.1
123.62624	1.2
124.04005	7.7
125.02454	1.4
126.05573	6.7
127.05095	1.9
128.03523	22.4
137.07240	1.4
138.05554	1.6
141.06696	2.0
142.05031	7.4
153.10283	5.3
154.05075	2.7
155.08223	1.8
159.07684	2.3
161.04478	1.4
165.10280	2.0
166.05118	2.0
184.06111	4.8
192.20749	1.3
193.09821	14.1
202.07176	8.3
209.09285	6.8
211.10793	7.7
215.10406	7.6
219.99603	1.2
220.14503	2.9
237.08850	11.3
238.15588	2.5
255.09766	1.4
278.10278	1.8
282.14438	2.6
296.11234	2.3
310.17545	1.7
326.13763	4.2
338.12558	1.5
339.12613	1.7
344.14752	1.3
384.61307	1.3
460.63220	1.3
555.39282	1.2
721.35864	1.5
917.36206	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	917.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	14.4
73.02937	9.7
74.62115	0.5
83.01365	2.7
85.02939	5.2
85.78529	0.6
89.02425	13.8
97.02944	0.9
98.88673	0.6
99.00845	1.2
101.02419	19.0
110.99873	0.6
113.02430	11.9
119.03495	6.4
125.02424	0.8
131.03450	1.0
133.10181	0.7
143.03505	2.9
159.02953	1.0
161.04503	9.3
165.05478	1.0
177.09196	2.6
179.05614	0.9
189.12828	2.7
192.69336	0.7
192.71307	0.6
195.08698	0.7
195.10229	7.0
203.05571	4.3
207.13826	0.9
239.12816	0.7
244.09752	0.7
256.42926	0.7
307.17612	1.4
339.14337	3.7
349.18759	8.2
357.15463	6.5
361.16696	1.2
369.19113	1.4
387.20108	1.1
390.11380	0.7
399.16583	100.0
429.16022	1.3
429.21304	23.7
520.11914	0.6
917.34674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43845	0.9
71.01366	14.0
73.02927	3.6
76.77879	0.9
78.96278	0.8
83.01379	0.8
85.02946	4.4
87.00874	1.8
89.02424	11.9
89.29418	0.8
95.01374	1.3
99.00885	1.5
101.02431	15.3
111.08197	1.0
113.02435	9.5
119.03480	4.5
125.02408	4.5
131.03532	1.5
139.07622	3.1
143.03474	4.1
152.69629	0.9
161.04549	5.9
165.01735	0.8
197.04552	1.3
198.43857	0.8
221.06644	3.9
327.21762	3.6
332.34552	1.1
345.22781	8.8
422.08057	1.0
489.27005	5.0
507.28210	12.2
549.29187	3.8
632.45251	0.9
754.29327	1.2
831.39240	2.1
873.39771	100.0
917.39014	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	917.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	6.0
89.02425	12.3
99.08150	4.5
101.02415	7.1
113.02424	5.2
117.22980	0.7
119.03467	6.3
127.07653	1.6
129.09148	0.8
145.08687	48.0
156.56439	0.8
187.09747	0.9
189.06694	1.2
205.21254	0.8
216.26268	0.9
255.06627	3.3
267.06732	1.4
303.30453	0.9
307.13992	100.0
308.75818	0.8
359.62137	0.9
365.13412	0.9
609.18378	1.4
633.63171	0.8
917.39642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	2.2
73.02927	6.8
80.57246	1.1
89.02455	2.4
92.20033	2.7
101.02413	3.2
102.88741	1.3
113.02413	1.6
118.06590	1.7
136.71606	1.3
137.09714	2.2
147.04509	8.5
161.04504	1.8
164.07156	7.7
174.62675	1.5
188.09480	4.2
203.11893	14.7
227.11909	2.2
245.10493	5.3
314.18723	6.4
414.54587	1.5
447.21609	25.3
462.24008	100.0
504.25635	1.8
600.62585	2.1
653.41248	1.6
806.63922	1.6
874.45050	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	919.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46501	0.4
71.01367	1.9
75.18797	0.4
85.02916	0.6
87.00868	0.4
89.02434	1.9
92.19390	0.4
101.02415	2.2
113.02412	0.9
136.92194	0.4
137.02454	0.4
149.02435	6.1
152.01140	3.5
161.04582	0.9
163.03983	2.5
164.03372	0.7
164.04770	22.7
167.03436	0.6
169.05116	1.7
179.05586	0.7
179.07121	13.8
193.01395	3.8
193.08611	0.4
208.03758	75.5
209.08185	2.8
223.06108	100.0
246.14627	0.4
263.07596	0.7
453.43768	0.4
528.68549	0.4
533.18768	1.6
757.25562	67.7
919.30853	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	919.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	20.0
73.02938	3.8
85.02950	6.8
89.02402	14.5
96.96015	1.7
101.02413	21.6
113.02431	11.7
119.03496	3.6
125.02339	2.3
161.04578	3.4
164.63261	1.8
179.39587	1.8
180.04323	2.4
195.06557	2.4
221.06752	2.5
285.18649	3.0
329.17630	3.6
339.77179	1.8
347.18750	2.3
491.23251	3.3
509.23599	3.7
545.99921	2.2
551.25580	2.5
553.65735	1.9
573.51526	1.8
671.92633	2.1
875.18475	3.4
875.35480	100.0
919.32294	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	920.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
84.19408	2.4
96.71271	2.6
97.38937	3.1
147.04500	5.0
152.06772	2.4
164.07146	3.6
182.80659	2.6
203.11897	10.2
245.10544	3.9
314.18713	5.3
413.21805	4.1
447.21664	23.1
451.35339	2.9
462.17807	5.2
462.24008	100.0
474.05591	2.9
522.26355	2.7
525.85828	2.8
643.56641	3.5
876.48303	29.3
906.76746	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	921.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
68.91426	0.8
71.03735	0.8
85.02981	1.1
87.00855	11.3
106.42551	0.8
123.03658	1.7
123.04507	41.2
135.04544	1.1
149.06078	13.3
152.01054	1.0
161.02417	11.2
165.05513	11.4
167.03462	6.5
179.03458	3.1
193.05074	15.6
195.02969	23.1
232.14940	0.9
255.05096	100.0
292.68881	1.0
346.03989	1.0
363.14609	1.1
503.13879	6.2
665.19403	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	921.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05685	1.2
71.01366	52.6
72.26190	1.2
73.02930	7.0
79.42101	1.3
83.01372	2.3
85.02938	8.0
87.00851	10.1
89.02427	100.0
89.52364	1.3
95.01372	1.9
97.02932	3.3
101.02428	81.6
101.20192	1.7
113.02431	41.5
115.03933	1.4
119.03477	44.7
125.02414	12.5
128.81798	1.2
129.70206	1.4
131.03479	22.9
132.93158	1.2
141.01959	1.8
143.03506	16.9
149.04485	2.7
154.82928	1.6
159.03012	2.8
161.04546	40.2
164.11520	1.4
179.04156	2.6
179.05614	52.5
200.86133	1.4
221.06635	41.1
245.06648	2.6
255.83011	1.3
263.07550	2.6
305.08728	1.9
305.21140	18.9
323.09805	7.2
331.19113	14.2
341.10876	69.0
349.20218	22.0
383.12000	20.4
425.13031	1.6
467.14661	2.6
592.29944	1.4
613.28302	1.6
646.95642	1.7
673.30420	5.7
710.21393	1.5
715.32257	11.9
877.37048	65.0
921.36456	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	923.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	23.7
73.02935	5.1
83.01385	4.0
85.02946	8.4
87.00840	1.8
89.02425	23.5
90.15205	0.9
95.01365	1.5
97.02948	2.0
99.00874	6.1
101.01795	1.3
101.02433	31.7
104.85686	0.9
111.00891	1.4
113.02437	14.5
119.03479	12.6
125.02425	5.7
131.03490	6.3
138.67488	0.8
143.03474	5.7
149.04465	1.2
151.29935	0.9
159.02911	1.1
161.04529	10.6
165.10652	0.9
174.31874	0.9
179.05591	7.0
197.04536	1.7
221.06621	7.6
245.06676	1.4
261.18579	5.3
263.07874	1.3
287.93713	0.8
303.19626	5.8
312.96286	0.9
321.20706	20.0
348.31628	0.9
351.21936	0.9
353.21945	4.8
417.22833	1.6
421.00696	1.0
429.64948	1.0
465.24942	13.7
483.25958	16.3
556.61084	1.0
796.97797	1.1
849.38043	1.2
879.38629	100.0
923.37823	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	923.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05310	1.3
67.46870	1.3
71.01367	47.6
73.02935	10.2
83.01405	1.9
85.02927	10.1
85.03400	1.4
87.00848	2.7
89.02428	100.0
95.01339	1.8
97.02924	3.2
101.02425	76.3
113.02426	40.4
119.03485	41.1
119.81771	2.0
122.47046	1.4
123.52401	1.7
125.02428	16.1
131.03468	17.7
139.03976	1.6
140.29437	1.4
143.03526	13.6
147.40672	1.5
149.04558	2.8
149.79840	1.5
159.02933	1.8
161.04541	35.5
179.05606	53.7
203.08223	1.9
221.06671	31.9
245.06699	2.2
273.18649	12.1
321.20709	68.7
323.09781	13.3
326.56998	1.8
333.20673	2.5
341.07025	2.9
341.10880	55.1
351.21783	39.4
365.11215	2.2
383.11935	16.1
467.14041	3.6
483.25754	2.2
589.24915	1.9
645.30884	2.4
675.31842	2.0
687.31976	8.1
717.33154	2.0
729.34052	1.9
849.37500	21.6
879.38623	51.7
884.98590	1.6
923.37500	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	923.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71763	2.4
71.01370	22.3
73.02937	34.0
83.01363	9.9
85.02888	3.4
89.02429	15.3
100.20518	2.4
101.02437	41.2
113.02441	18.2
115.24881	2.3
119.03475	5.8
122.22530	2.6
149.04497	3.2
150.96864	2.7
161.04526	12.3
167.24942	2.6
204.30705	2.9
221.06725	3.3
242.82990	3.1
312.08249	2.5
331.71100	2.5
351.10562	2.4
362.18872	12.9
370.95358	2.3
397.22333	11.4
415.23566	5.3
457.24420	100.0
835.36511	3.1
879.37469	3.2
923.42688	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	924.242
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35289	3.1
70.89875	3.0
73.62437	3.3
97.28194	3.3
127.21036	3.7
152.93620	3.0
160.01646	57.9
161.02457	5.3
175.03987	100.0
193.05009	13.0
246.92731	3.3
255.39214	3.1
450.10028	3.9
861.24841	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95479	0.4
71.01359	3.1
85.02924	0.7
89.02419	4.0
101.02437	2.7
102.98582	1.0
113.02402	2.2
119.04996	100.0
131.40807	0.6
139.61952	0.5
163.03989	55.2
325.09280	62.2
431.92038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75922	1.8
66.39058	1.6
73.45146	2.1
96.95964	2.2
101.02448	1.5
101.89920	1.7
112.04075	1.6
116.74068	2.0
121.74751	1.7
129.05542	1.7
133.99223	2.0
148.04050	8.1
150.05569	7.5
150.73563	1.6
161.04787	26.3
165.93475	1.9
175.05109	35.2
175.06490	3.1
187.06285	1.7
202.08781	7.5
203.04601	13.8
216.06534	4.2
229.07457	1.7
232.08511	8.8
233.09271	33.2
244.09816	52.0
245.09256	3.9
286.09573	2.9
287.10324	6.8
299.28467	1.8
305.11426	3.0
370.17786	1.9
468.17416	23.7
605.26233	19.8
635.27216	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	927.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	1.4
73.77462	0.5
74.68354	0.6
78.37989	0.5
89.02437	5.3
93.68228	0.5
101.02431	2.8
113.02443	1.1
119.04997	100.0
126.71729	0.5
163.03989	80.5
176.39326	0.6
179.03564	0.8
179.05232	0.5
224.32950	0.6
251.37399	0.7
275.15121	7.2
296.37042	0.6
325.09265	72.7
393.83521	0.7
547.30005	0.7
601.25006	1.0
651.19965	0.8
939.64014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
72.16412	1.7
78.81467	2.0
105.27417	1.8
120.34272	2.2
121.02873	2.8
126.61853	1.8
135.04530	20.4
154.08707	9.3
172.07466	1.9
180.06711	3.3
239.11906	9.7
251.14027	94.2
262.07108	4.1
276.13525	100.0
293.16217	34.4
315.45490	2.1
346.15579	3.3
360.17224	28.1
361.18008	4.0
362.18738	72.9
373.15494	8.7
380.19962	4.3
482.20667	2.6
489.25201	4.0
513.23511	2.3
514.24750	2.7
531.27173	3.1
612.31812	10.6
637.31195	7.4
654.34332	4.3
853.42725	11.6
883.42615	2.7
897.41364	75.6
927.42645	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	4.3
73.02931	5.1
73.53722	0.5
80.68015	0.4
83.01357	1.1
84.96989	0.5
85.02934	0.6
89.02419	5.6
96.57424	0.5
100.47682	0.7
101.02422	7.9
113.02412	3.5
119.03442	2.5
121.02933	100.0
129.10320	5.7
143.11882	0.6
149.04547	1.1
155.08215	2.3
157.09805	7.3
161.04535	2.9
187.05188	0.8
200.05856	0.6
219.01830	0.5
221.06563	1.6
245.16533	4.1
246.66644	0.5
256.14651	3.5
257.12946	8.8
274.15579	4.5
301.14258	4.9
331.17636	4.5
340.23990	1.1
342.18845	0.5
383.24213	0.6
401.25671	8.6
417.24863	0.6
429.24939	9.0
523.29309	7.9
551.21118	1.4
551.28748	37.9
688.70093	0.6
690.73370	0.5
798.45428	0.6
927.37360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
68.10320	1.6
69.03421	1.6
71.01372	51.9
73.02933	15.2
80.62220	1.6
83.01361	3.7
85.02927	18.1
85.84698	1.5
87.00851	3.9
89.02426	46.7
92.19360	2.1
97.02950	3.8
99.00836	2.8
101.02424	49.3
103.42167	1.6
111.00862	1.9
113.02437	32.8
119.03478	16.9
125.02385	12.1
131.03482	8.7
134.61722	1.6
136.01646	23.5
140.71803	1.7
141.01921	2.2
143.03499	6.8
151.03999	71.3
156.76909	1.8
161.04582	15.7
166.46208	1.5
176.04823	3.0
179.05476	1.8
191.07156	3.7
204.66187	1.5
221.06644	8.3
245.06802	2.1
245.09233	3.3
294.70602	1.8
312.10095	2.1
323.09811	1.9
327.12350	15.8
339.12180	4.0
342.11005	7.8
357.13464	27.7
396.04037	1.8
409.25012	1.6
517.78729	1.6
783.34558	1.8
825.28162	41.4
843.29175	33.0
885.30280	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	929.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	35.7
73.02937	53.6
81.81486	3.5
83.01365	14.4
85.02923	6.4
89.02444	20.7
91.43639	3.4
96.96007	14.5
97.02957	3.8
101.02422	56.6
105.59224	4.1
113.02431	22.4
116.09612	3.4
117.18380	4.1
119.03455	5.3
125.02423	22.1
136.01616	7.7
151.03995	75.8
151.06451	3.5
161.04541	5.4
206.21832	4.0
212.16768	3.7
221.06587	8.7
225.03870	3.7
244.70288	3.7
245.06569	3.7
297.74939	3.8
323.09711	6.9
357.13574	21.7
365.10803	44.6
402.92450	3.5
461.25439	3.3
718.21777	4.4
723.25085	100.0
743.53448	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	929.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
68.61346	0.4
70.02968	7.5
71.40288	0.4
72.04537	2.1
74.02462	35.0
96.95984	2.1
98.02456	6.9
109.25211	0.4
113.73752	0.4
116.03512	23.0
116.05036	7.9
130.06583	1.7
142.06598	1.5
143.27982	0.4
145.73608	0.3
149.72006	0.3
159.09290	3.0
183.09225	0.6
186.05626	0.8
201.10332	7.8
203.08257	73.9
245.09296	100.0
289.08096	3.5
399.58746	0.4
595.20251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.341
Annotation	Unknow
Peak:m/z	Relative Intensity
68.54465	2.0
85.31944	2.5
96.95972	4.3
139.73061	2.2
148.04036	8.4
150.05614	3.4
161.04839	21.9
175.05122	29.5
202.05161	3.5
202.08717	3.5
203.04536	3.0
216.06419	2.6
232.08589	4.2
233.09315	32.4
243.08908	3.0
244.09790	62.7
245.09399	8.2
262.07254	8.3
286.09708	4.5
287.10577	4.6
300.11563	2.3
305.11508	5.4
326.11349	3.0
368.54977	2.4
381.80447	2.1
424.19223	2.5
472.20261	2.7
474.89902	2.7
500.17023	22.1
558.29669	2.5
637.25201	20.5
649.86633	2.6
667.26312	100.0
796.65021	2.8
808.27637	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	930.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47562	3.6
68.59821	3.7
71.01376	43.8
73.02939	17.7
83.62167	3.6
85.02946	17.2
89.02422	7.2
94.40793	3.6
99.00839	7.3
101.02409	54.9
107.33562	4.3
113.02392	28.2
120.33814	3.7
134.06116	8.9
161.04536	24.2
223.14676	4.7
247.14485	38.4
255.49307	3.9
289.16507	23.4
331.17606	86.4
342.14627	31.9
358.21280	5.9
385.20062	18.0
554.33337	100.0
729.85004	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	931.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	0.7
71.01369	12.8
73.02934	38.8
80.52576	0.5
83.01371	8.2
85.02946	1.1
87.00893	0.6
89.02417	6.5
89.23969	0.5
95.01350	0.7
97.02966	0.5
99.00935	0.7
101.02425	42.5
107.08871	0.5
113.02435	10.3
119.03440	2.6
121.10207	24.9
125.02399	1.0
131.03476	3.5
143.03503	1.3
149.04520	3.2
155.03534	1.1
161.04532	6.4
183.62241	0.6
191.29619	0.6
201.81714	0.6
221.06631	3.2
233.15372	0.6
345.15442	0.7
387.16599	100.0
388.17081	3.1
389.17133	2.3
431.15622	4.7
455.22968	5.1
848.30243	0.7
887.42639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
68.61790	3.4
71.01376	38.9
73.02937	100.0
75.85568	3.0
83.01373	21.4
85.02939	4.5
89.02427	42.4
89.57244	3.0
96.03071	3.2
101.02431	94.4
113.02435	34.3
119.03501	17.6
131.03488	6.6
143.03534	5.7
149.04584	16.1
161.04532	47.7
196.07451	7.4
198.96149	3.3
203.05646	5.2
211.09773	23.1
221.06645	34.4
303.14487	22.5
350.55600	3.5
421.18732	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	933.324
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07355	2.3
69.11574	2.5
71.01366	37.2
72.21889	2.6
73.02935	5.4
79.04758	3.1
79.94725	2.6
85.02929	13.1
87.00854	5.7
89.02447	37.9
96.95970	3.8
99.00862	3.7
101.02425	42.5
113.02460	22.6
119.03455	5.4
125.02425	5.7
131.03435	4.8
143.03429	3.3
161.04535	13.2
163.38544	2.7
165.05623	3.1
179.05530	2.6
221.06706	3.6
241.14151	2.9
313.14426	4.2
361.16602	50.8
817.78723	3.5
829.31702	4.5
829.45441	20.7
889.33197	100.0
889.46161	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	933.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	0.8
82.04102	5.0
85.41139	0.5
89.02432	0.6
96.95988	2.0
103.00496	0.5
113.02405	0.7
120.01236	0.7
133.66176	0.5
141.09210	14.0
143.76912	0.5
161.04645	0.5
164.04785	6.0
169.05183	0.5
179.07117	7.2
195.12558	1.1
208.03766	26.7
223.06113	100.0
265.07071	0.8
337.22470	20.2
433.15057	21.3
595.20386	35.8
668.50952	0.6
933.44385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37305	0.5
71.01370	9.8
72.99294	2.8
72.99659	0.5
73.02927	2.4
74.56881	0.5
75.00860	20.0
75.37926	0.5
75.86394	0.6
83.01375	1.0
83.52987	0.5
84.21614	0.6
85.02940	17.9
87.00842	4.9
89.02425	7.1
95.01385	1.1
97.02892	0.5
99.00861	6.3
101.02426	5.6
113.02431	28.4
115.00366	2.2
117.01936	2.2
119.03475	1.3
129.01979	0.8
131.03525	0.8
157.01402	1.1
175.02441	0.8
184.61806	0.5
206.86281	0.5
292.38992	0.6
482.04657	0.6
618.28650	0.8
619.29742	100.0
638.51093	0.6
889.50348	9.1
917.77496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88686	0.6
80.63963	0.6
81.31473	0.6
87.00861	16.8
89.70770	0.8
97.06555	5.9
107.05016	6.8
111.04507	0.7
112.05283	7.8
113.02349	0.8
116.07569	0.7
118.54061	0.7
121.02930	21.4
122.03722	5.9
130.99852	11.1
132.00676	1.2
147.04501	17.7
148.05281	3.3
163.04012	6.5
164.04759	2.7
165.05562	1.6
191.03563	8.3
192.04277	4.0
194.02185	3.8
201.09169	3.2
217.08655	0.8
219.10216	6.8
245.11761	1.4
254.04256	4.2
261.11334	4.7
289.10913	5.9
291.08749	16.5
351.10849	100.0
754.25427	0.9
839.22815	0.7
891.28473	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	935.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88686	0.6
80.63963	0.6
81.31473	0.6
87.00861	16.8
89.70770	0.8
97.06555	5.9
107.05016	6.8
111.04507	0.7
112.05283	7.8
113.02349	0.8
116.07569	0.7
118.54061	0.7
121.02930	21.4
122.03722	5.9
130.99852	11.1
132.00676	1.2
147.04501	17.7
148.05281	3.3
163.04012	6.5
164.04759	2.7
165.05562	1.6
191.03563	8.3
192.04277	4.0
194.02185	3.8
201.09169	3.2
217.08655	0.8
219.10216	6.8
245.11761	1.4
254.04256	4.2
261.11334	4.7
289.10913	5.9
291.08749	16.5
351.10849	100.0
754.25427	0.9
839.22815	0.7
891.28473	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	935.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86047	0.4
68.11704	0.4
71.01364	0.4
85.02938	1.5
101.02440	0.7
112.48042	0.4
113.09752	0.4
115.25328	0.4
127.47436	0.4
131.55577	0.4
135.08160	0.7
137.09683	1.7
141.03432	0.5
151.37840	0.4
160.08897	4.3
161.09732	1.9
163.07690	0.6
175.11221	0.5
177.12807	5.8
189.12846	24.4
191.14435	1.6
194.32637	0.4
201.12836	9.5
204.11650	3.6
213.64326	0.5
219.13889	100.0
274.61435	0.5
294.80801	0.4
423.20407	3.7
526.25073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87851	1.0
68.15030	1.2
71.01369	17.5
73.02934	7.1
81.08410	1.3
83.01379	1.5
85.02955	4.6
87.00867	1.6
89.02433	17.2
96.96034	1.2
97.02948	1.4
101.02440	19.8
113.02436	13.0
119.03472	6.5
125.02436	1.3
131.03508	7.6
133.75154	1.6
143.03445	1.5
151.07614	2.8
152.08376	9.5
152.25471	1.2
153.09201	25.3
161.04555	14.2
179.05547	2.1
205.12335	15.9
221.06624	7.9
222.66638	1.1
223.13315	2.4
328.28156	1.1
348.44308	1.2
427.19662	5.0
442.19775	1.1
454.61053	1.4
589.25073	100.0
633.23486	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	935.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91863	1.6
67.54991	1.7
71.01373	24.2
72.17360	2.0
73.02933	8.1
83.01357	2.1
85.02953	13.1
87.10901	1.7
89.02415	13.8
99.00855	4.3
101.02426	28.4
110.08502	1.7
113.02409	22.6
116.41660	2.0
119.03508	3.0
128.38469	1.7
159.02936	2.7
161.04549	11.5
173.15454	2.3
222.79845	1.7
230.11813	2.1
247.14389	2.1
271.14474	1.8
273.11987	2.1
317.19617	11.4
335.20737	29.2
377.21768	100.0
416.02777	1.9
424.28375	2.2
499.32736	2.2
580.05664	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	936.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01312	1.3
78.42122	1.4
92.20003	1.7
95.31071	1.5
115.00368	3.3
133.02948	2.4
135.04517	17.0
136.36766	1.5
142.23195	1.4
161.02426	74.4
161.04494	3.1
179.03471	49.0
179.05576	18.2
192.31499	1.5
243.06584	23.5
277.05682	2.7
297.07516	2.8
340.13455	1.5
341.08783	100.0
365.47070	1.5
439.10983	1.7
683.18854	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	937.5925
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01362	2.0
82.04093	35.8
95.82725	1.3
97.02889	1.5
129.10320	1.4
132.01500	1.5
141.09203	69.6
195.12563	11.9
236.15193	1.2
251.21300	2.9
295.20230	1.6
337.22458	100.0
401.92218	1.3
577.34906	1.2
922.57239	6.8
937.59338	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6417
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90978	1.0
78.68838	1.3
225.16023	1.5
244.09813	1.6
269.04358	2.4
289.15082	1.3
498.81461	1.5
525.90619	1.4
735.73987	1.5
939.64154	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	940.5762
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03607	0.4
69.41904	0.4
87.00803	0.5
90.37443	0.4
106.55280	0.4
125.09693	1.6
130.06590	0.6
146.06027	0.5
156.08192	8.7
158.06105	2.7
172.07660	21.8
174.05611	0.9
187.09727	2.8
200.05286	0.6
200.07167	20.7
202.05099	48.1
218.08241	4.4
244.06107	0.9
261.13394	2.0
262.07190	100.0
389.51743	0.4
441.70245	0.4
447.28156	0.4
478.55121	0.4
586.05267	0.4
625.28424	0.4
678.50140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00872	0.9
89.77693	0.4
96.95982	0.7
106.04241	0.7
107.05014	8.0
113.02427	0.6
121.02911	0.7
127.31435	0.4
127.65000	0.5
133.06563	4.6
149.06061	19.3
149.07201	1.0
170.15160	0.5
177.05548	27.2
179.03488	47.6
192.99446	0.5
195.06621	4.5
221.04509	0.9
239.05609	100.0
550.76788	0.6
701.19080	3.8
838.37665	0.5
978.33344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06097	1.9
73.11952	2.2
110.52908	1.9
119.04996	35.8
136.07658	3.4
163.03992	21.4
165.05608	2.6
173.16760	2.4
193.05043	9.3
196.34026	2.0
213.10390	4.5
239.11942	14.9
308.17844	2.9
317.12817	2.8
319.14487	25.8
336.20978	4.4
345.16113	9.1
362.18790	100.0
380.20084	3.3
406.17523	20.6
579.03882	2.6
732.28198	3.9
780.29974	13.4
812.33044	3.0
838.28333	2.2
867.05145	3.2
913.34961	5.0
943.36029	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08684	0.5
66.27937	0.4
71.01385	0.5
71.50883	0.4
76.28548	0.4
79.76431	0.5
81.69930	0.5
89.02412	0.6
106.04256	0.6
119.05003	31.9
119.05859	1.0
121.06563	1.1
136.07660	3.9
147.04552	0.6
147.07491	0.4
149.46112	0.5
156.62788	0.4
163.03996	19.7
165.05536	4.1
199.08820	0.6
213.10335	4.6
213.13855	0.8
238.11122	0.7
239.11893	11.8
271.63223	0.5
293.16660	2.3
293.20267	0.5
307.42896	0.5
308.17593	2.8
310.77481	0.5
317.12909	5.7
319.14529	25.2
319.17999	1.8
333.14789	2.1
336.20706	6.9
343.14392	1.0
345.16171	6.4
347.16425	1.7
357.15878	0.6
359.17642	1.0
360.17166	0.6
362.18747	100.0
363.17038	3.8
376.20328	0.6
380.19791	4.3
406.17712	19.6
424.76981	0.7
443.01923	0.6
482.24487	0.6
526.23309	0.7
570.22339	2.1
587.10388	0.6
615.12903	0.7
732.27954	3.0
750.28729	1.9
762.28967	2.1
780.29901	7.7
913.35449	5.2
943.36102	62.3
943.65894	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	943.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
75.13163	1.3
77.09298	1.2
98.45879	1.4
119.05031	2.6
139.00661	1.5
148.04056	7.8
150.05545	2.9
154.93942	1.5
161.04799	23.0
163.04039	2.1
175.05107	22.6
181.69209	1.5
197.09384	1.8
202.08704	1.7
203.04651	6.5
215.08241	3.5
232.08521	6.1
233.09254	17.6
241.09737	3.4
244.09793	54.1
245.09320	6.2
286.09656	2.7
287.10413	3.3
303.09784	2.1
305.11420	3.4
376.85242	1.5
380.19241	1.6
381.17966	2.3
424.18735	1.9
442.19998	3.6
486.18884	17.7
623.27057	14.0
653.28351	100.0
714.32422	1.8
899.33356	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	943.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18236	0.7
71.01366	6.7
71.82655	0.9
73.02932	18.8
83.01382	3.0
85.02904	1.0
89.02428	4.1
90.28983	0.7
92.20142	1.4
96.04518	0.7
97.40430	0.6
101.02425	15.7
113.02426	6.2
119.03456	1.7
131.03474	1.6
137.09674	7.6
138.09242	1.0
148.04015	14.3
149.04599	3.5
150.05589	4.1
153.09209	1.6
154.05125	1.7
154.08792	1.4
160.03998	1.8
161.04755	32.2
162.05577	1.3
173.06111	0.8
174.04279	1.2
175.05083	31.8
176.05898	0.9
180.06477	0.9
187.06464	0.9
201.09227	3.2
202.08719	7.1
203.04601	16.0
205.12300	8.9
209.27831	0.7
216.06656	6.6
217.07385	0.9
221.06642	8.3
226.08714	0.8
228.06731	1.2
229.07512	1.2
231.07837	1.1
232.08543	9.0
233.07202	1.4
233.09303	24.8
243.11478	0.9
244.09799	72.8
245.07028	1.2
245.09253	6.9
246.07576	1.3
263.10303	3.5
286.09558	4.4
287.10455	8.4
287.13391	1.1
288.08798	3.3
305.11349	5.8
312.13647	1.2
313.11896	1.5
342.61087	0.8
356.12503	3.0
357.13260	3.5
367.17740	0.8
370.17630	1.7
385.18756	0.8
427.19748	9.2
467.17444	0.9
472.20657	1.0
486.18805	25.1
590.76312	0.9
623.27142	20.1
653.28284	100.0
670.64478	0.8
706.56030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	1.9
71.01382	28.3
73.02941	100.0
79.93285	1.5
83.01373	19.9
85.02921	1.8
87.76566	1.8
89.02423	13.0
92.19964	1.9
101.01793	3.2
101.02438	85.9
113.02438	18.0
119.03500	10.2
121.64991	1.7
131.03448	7.0
143.03545	2.5
149.04553	19.5
155.03511	2.1
161.04539	38.3
183.95657	1.6
203.05566	3.0
221.06660	52.7
222.87450	1.5
233.89690	1.6
380.02689	1.7
480.45090	1.8
495.62515	1.7
549.81781	2.0
966.73065	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	945.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	18.4
73.02934	59.7
83.01382	12.9
83.05020	1.2
85.02956	1.3
85.81077	0.9
89.02435	7.3
99.00873	1.0
101.02426	48.3
113.02430	10.3
119.03463	3.5
121.10204	9.3
123.08329	0.9
131.03462	2.0
143.03516	1.4
149.04512	1.2
161.04532	5.1
161.13164	0.9
185.13373	20.0
203.14360	1.9
221.06700	1.1
329.57211	0.9
387.16608	51.3
387.21558	1.9
389.16702	0.9
427.19507	1.1
431.15332	1.8
469.20786	100.0
513.19641	2.0
654.28534	0.9
945.33899	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	947.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	16.5
73.02933	8.7
79.53938	0.4
83.01358	3.7
85.02936	7.1
87.00851	1.2
89.02442	7.0
92.20063	0.6
95.01367	2.4
97.02928	0.6
99.00854	2.1
101.02421	20.4
113.02429	16.3
119.03453	5.5
121.10207	1.9
125.87071	0.5
127.44967	0.6
129.33238	0.5
131.03452	0.6
143.03493	0.9
159.02928	1.0
161.04539	5.2
163.11281	0.8
179.05574	0.8
189.12799	0.9
210.94179	0.5
225.14978	6.1
293.04453	0.5
335.10883	0.5
352.62015	0.5
369.19144	18.8
387.15823	5.1
387.20685	10.0
429.21286	100.0
471.22119	2.3
499.02960	0.6
604.65491	0.5
771.83044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	17.7
73.02952	8.6
74.02467	1.1
83.01369	4.4
85.02935	7.9
89.02444	5.4
99.00853	2.4
101.02425	29.0
113.02431	15.5
131.03542	1.1
143.03427	2.1
158.55287	1.0
159.02963	2.7
161.04532	13.9
180.07765	1.3
203.08089	1.6
244.06406	1.2
282.95633	1.0
289.16620	1.8
307.17645	23.6
349.18680	100.0
361.16721	4.9
373.16516	2.1
391.17624	10.0
429.21497	2.1
431.19165	6.5
517.65442	1.1
533.46246	1.2
553.22638	2.1
638.34320	1.2
691.28284	1.2
878.45551	1.1
879.95862	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	947.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78339	0.3
71.01373	12.9
73.02935	17.2
83.01382	3.7
85.02943	4.5
85.13239	0.4
87.00872	0.5
89.02431	10.9
91.42458	0.3
97.03000	0.4
99.00856	0.5
101.02428	22.6
113.02425	12.9
119.03490	5.7
125.02446	0.5
131.03450	0.7
140.41245	0.4
143.03539	0.6
149.04558	0.6
152.08418	4.9
153.09119	0.5
159.02997	1.4
161.04565	4.7
179.05603	0.9
221.06610	0.6
225.14931	4.5
356.12500	0.4
369.19177	6.0
387.20258	12.0
418.42706	0.4
427.50143	0.4
429.21289	100.0
473.20444	1.5
937.57697	0.4
940.96436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83122	1.7
71.01373	16.6
73.02940	3.7
80.27435	1.9
81.03434	1.9
83.01381	3.8
85.02939	4.8
87.00849	4.0
87.25346	1.8
89.02425	39.0
97.02916	4.0
101.02433	29.9
110.53783	1.8
113.02417	11.9
113.09704	14.4
116.92867	3.7
119.03461	4.8
125.02415	8.0
143.03455	4.1
144.43771	2.2
144.97331	1.9
161.04434	2.4
176.84702	1.9
221.06706	2.5
235.08156	9.0
249.21869	2.6
255.23303	77.3
293.18155	6.7
293.21213	81.5
330.59506	2.0
397.08459	4.1
397.13464	88.2
397.18649	3.4
415.14630	22.9
653.37549	100.0
734.60004	2.5
845.46729	2.9
955.47571	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	947.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93423	1.9
70.60909	2.2
75.13939	2.6
78.95885	3.0
85.05579	2.6
95.03978	1.9
96.51426	2.3
176.78708	2.5
179.88225	2.1
195.94734	2.3
196.03766	5.4
255.23285	100.0
452.27908	50.0
487.55734	2.3
516.09393	2.2
523.49762	2.4
778.49182	2.5
929.46063	2.7
968.47064	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	949.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87827	7.9
70.90368	7.6
72.24162	7.1
74.07438	8.9
88.45963	8.5
88.93584	7.7
90.16548	7.3
101.02458	9.3
112.53629	8.3
123.74346	8.1
195.13905	11.8
254.67111	9.3
255.23332	59.7
277.21814	13.8
295.22873	100.0
301.63943	7.9
364.69534	8.7
397.13556	43.6
653.37219	40.9
946.47498	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	950.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	16.5
73.02940	8.1
85.02927	3.3
89.02428	19.2
91.05526	1.6
101.02438	16.0
113.02438	28.9
118.06609	11.4
119.03492	7.5
143.03523	1.6
147.04552	6.2
158.09720	2.1
171.46495	1.7
243.85965	1.6
253.33038	1.8
347.39569	1.7
399.23871	23.1
417.24823	7.9
446.24536	39.4
459.26059	100.0
674.92810	1.8
906.50916	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	951.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
78.07211	1.2
85.02925	6.7
88.55135	1.4
120.49075	1.2
122.77131	1.2
123.04520	6.7
125.02415	8.8
142.70956	1.2
165.05536	1.4
167.03450	21.4
179.03415	1.9
197.04527	11.1
205.03554	2.5
209.04556	67.8
209.06546	2.9
223.04591	5.3
239.05608	80.8
251.05650	2.6
269.06729	29.7
272.75970	1.7
281.06577	8.4
299.07706	6.9
311.07462	1.8
329.08713	2.1
369.08316	5.5
371.07745	2.6
401.08740	1.9
461.10809	5.1
491.11761	7.6
528.16882	1.7
581.15118	100.0
631.21692	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	951.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21127	0.5
119.04990	16.9
120.99659	1.1
138.03210	1.8
149.02432	20.8
153.05559	15.6
163.03975	9.0
165.72717	0.5
167.03523	0.9
191.07132	0.8
193.01402	3.5
225.05904	7.5
225.09210	0.6
227.07204	0.6
251.07152	0.7
266.05841	7.7
267.06592	28.0
268.06982	13.6
269.08197	100.0
270.08502	2.9
271.08865	0.7
283.09677	0.6
293.08148	0.7
311.09433	0.6
313.07083	0.8
355.06696	6.6
429.11850	1.1
430.12607	0.8
431.13443	18.8
473.10971	7.0
474.11325	5.9
475.12622	20.3
476.12775	2.3
477.12775	1.2
677.98932	0.6
753.82245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	83.3
73.02933	23.3
78.44846	5.3
79.35410	5.5
80.03873	5.2
82.48519	5.3
83.01366	8.6
85.02924	21.8
87.00857	6.6
89.02420	84.3
92.19340	12.0
95.01356	7.0
97.63341	4.9
99.00833	6.6
101.02431	100.0
107.76855	5.1
112.01633	6.0
113.02449	62.5
115.63941	5.5
119.03466	32.1
125.02430	40.9
131.03487	11.5
141.01888	5.9
143.03481	22.5
161.04526	28.1
179.05701	8.9
221.06679	12.2
250.58958	5.9
308.43362	5.4
387.16483	11.1
787.37415	35.7
805.39154	20.1
847.39862	90.3
865.41364	46.1
907.41626	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	18.7
71.37422	0.8
73.02936	44.6
83.01389	9.8
85.02941	3.5
89.02438	7.6
92.19397	1.2
101.02428	38.4
113.02424	15.3
119.03477	1.1
121.10214	20.9
125.02448	1.7
131.03455	1.9
137.15546	1.1
143.03465	1.4
149.04526	2.0
161.04530	5.5
195.97995	1.1
221.06677	1.7
387.16608	100.0
415.23535	6.4
431.15469	3.6
475.25592	17.3
519.28503	1.2
531.35291	1.1
663.71393	1.0
689.15802	1.0
811.76282	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	952.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02943	2.3
80.28916	1.3
81.00700	1.2
81.62169	1.6
89.02424	2.0
97.23485	1.7
101.02424	1.8
109.15456	1.7
122.18145	1.3
133.05336	6.1
153.06584	1.8
161.54921	1.6
221.06627	1.5
331.17722	5.6
345.20895	1.4
384.19012	2.3
499.32883	1.9
517.26782	2.4
576.34070	100.0
667.73859	1.7
691.43774	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	954.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83334	2.0
69.65472	2.3
71.49277	2.1
80.00153	2.0
85.99017	2.0
124.88110	2.4
133.05334	3.1
224.93994	2.4
333.19159	10.6
368.19705	3.4
499.33429	2.6
517.26678	5.3
576.25012	3.4
576.34094	100.0
589.32056	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	955.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
92.19376	4.4
93.03442	8.8
106.57677	1.2
137.02499	2.3
139.18521	1.6
167.03517	2.5
198.67113	1.6
211.07628	12.4
223.07689	14.8
241.05022	2.2
246.07622	1.3
255.06622	100.0
256.07443	9.0
267.06635	75.2
267.09525	2.4
268.07449	6.1
271.06052	1.4
271.09753	2.2
283.09717	2.8
284.06952	2.1
285.07742	9.6
295.06061	2.7
296.06924	11.5
297.04242	14.0
300.06433	12.4
312.06403	34.4
315.08749	54.3
327.08786	55.4
345.09766	17.7
447.13016	44.6
507.14993	40.7
733.55029	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	955.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83354	0.4
71.01372	13.0
73.02934	5.2
75.47071	0.4
83.01373	1.9
85.02934	3.9
87.00843	1.1
89.02429	8.2
92.19307	0.8
95.01423	0.5
99.00899	1.7
101.02426	12.7
113.02427	9.4
119.03477	2.8
136.04016	0.5
137.09714	0.8
143.03471	0.9
145.05046	0.7
151.11252	1.8
152.07103	0.6
159.02890	1.0
161.04527	9.5
163.11250	0.7
179.05551	0.7
181.12340	5.7
189.12846	4.0
201.12845	2.1
207.13907	0.9
217.07072	0.8
219.13925	13.4
225.14908	0.8
235.08167	5.5
237.14886	0.9
238.07375	0.9
243.11481	5.2
253.09807	2.3
267.11365	0.8
271.10855	9.4
285.12421	0.9
313.11960	2.0
321.17044	1.8
343.13031	0.6
399.20242	20.8
417.21317	6.3
433.16223	1.9
459.22385	100.0
503.21512	0.8
626.31506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10340	4.0
69.56692	4.6
71.01380	36.8
72.60923	4.7
73.02937	54.1
83.01373	9.5
85.02956	4.8
89.02413	20.7
101.02425	60.4
113.02403	29.3
113.86292	6.0
119.03436	17.4
137.09720	7.6
161.04582	21.7
175.14026	5.1
179.05562	8.2
212.66069	4.8
221.06689	6.9
386.39322	5.3
411.20050	6.9
413.21820	7.7
455.22949	100.0
922.21478	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	957.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77444	5.6
70.17622	5.3
92.08028	6.5
116.92836	29.6
135.04509	24.4
161.02443	46.5
179.03471	86.1
195.01028	6.6
239.89836	6.5
241.09866	8.2
266.06845	7.9
268.08438	12.2
281.53751	7.6
286.09634	11.1
341.08768	28.0
404.16049	7.3
406.17358	10.3
596.01068	6.6
790.24701	12.8
927.33264	28.2
957.34735	100.0
963.38080	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	957.45
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	2.2
73.02956	8.5
74.02464	2.6
89.02461	2.0
96.04544	2.6
101.02438	12.3
116.05045	2.7
128.28178	2.2
128.94186	2.0
142.06622	4.1
144.04655	2.1
168.53375	2.1
186.05566	4.5
187.06779	2.0
201.10387	3.3
203.08328	7.2
221.06613	2.4
228.59995	2.2
309.29950	2.3
325.17889	4.2
326.18719	4.7
357.16736	2.6
365.64792	2.5
372.19116	3.9
474.22760	3.9
486.22623	8.3
501.25153	100.0
550.91815	2.0
913.46527	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	957.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94731	0.4
71.01369	16.1
73.02930	6.1
76.66790	0.3
81.03458	0.4
83.01382	3.0
84.00806	0.3
84.04539	0.3
85.02934	7.9
85.07185	0.3
87.00842	0.4
89.02424	8.5
95.01340	1.5
99.00858	3.1
101.02427	21.6
101.03103	0.7
111.00832	0.6
112.99955	0.3
113.01682	0.6
113.02432	14.8
119.03457	3.5
125.02413	2.5
131.03432	1.4
143.03479	1.8
155.03416	0.4
157.21759	0.4
159.02942	2.1
161.04536	10.6
161.05792	0.7
179.05621	0.5
203.43520	0.4
209.15468	6.1
218.10892	0.3
221.06668	1.5
286.76675	0.5
305.17722	0.4
337.22427	1.5
353.19543	0.7
371.20776	9.2
413.21719	0.7
533.25702	2.6
575.27112	100.0
604.02576	0.4
771.04633	0.4
913.42950	0.7
975.81116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30698	4.4
71.01356	10.7
76.58029	4.8
89.02433	19.3
101.02434	22.7
115.03950	7.8
115.85624	5.7
119.03513	8.7
119.85053	5.4
143.03468	7.6
156.34004	5.4
867.79370	6.2
897.48718	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	959.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02156	2.1
77.24876	1.9
83.62921	2.0
92.19409	3.0
105.05866	2.2
135.04507	25.9
136.07672	2.7
161.02417	100.0
161.04497	3.8
179.03502	63.4
179.05640	3.3
203.08363	2.6
208.46622	2.1
213.14101	2.2
239.11827	11.7
308.17859	2.6
312.52176	2.3
341.08731	46.4
362.18768	31.3
380.19580	18.3
514.38629	2.2
750.09668	2.3
866.69867	2.2
959.35498	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30409	0.7
68.70670	0.7
69.86478	0.8
71.18599	0.8
82.24124	0.7
100.39579	0.8
119.51445	0.9
126.61938	0.8
133.02921	1.8
135.04512	24.8
136.07628	3.1
161.02428	100.0
162.05641	1.2
179.03493	74.4
179.05431	2.9
199.08698	1.0
213.13950	1.0
224.09157	0.7
225.81924	0.9
239.11882	15.8
305.12262	0.8
305.51144	0.9
308.17770	7.0
336.20569	1.8
341.08798	45.0
362.18747	31.8
380.19775	19.1
386.24722	0.9
406.17795	1.5
611.00952	1.0
796.28992	1.7
929.34460	3.1
959.35516	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
101.02436	2.1
119.04968	3.1
138.67917	1.9
140.72278	2.0
146.06100	4.3
148.20197	2.7
163.03963	4.4
163.12469	2.4
169.02063	2.2
180.06694	28.0
189.06738	3.4
191.08183	2.8
200.10742	2.8
203.08292	2.5
218.06950	2.1
226.08670	4.7
243.11351	14.6
309.11856	2.7
327.13477	4.4
329.16568	12.4
329.28320	2.2
535.31818	2.2
554.22998	100.0
613.30261	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	959.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	18.3
73.02946	4.9
78.60836	2.6
79.81473	2.5
80.62389	2.3
81.51749	2.3
85.02937	13.3
87.31699	2.7
89.02422	2.5
101.02399	23.2
113.02412	15.1
118.05837	3.0
161.04559	3.8
227.45168	2.7
384.84570	3.1
451.21570	4.1
477.20337	3.1
493.22955	100.0
656.88416	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	959.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	22.0
73.02941	16.1
83.01382	1.6
85.02930	9.5
89.02427	11.6
95.01389	2.0
99.00858	3.6
101.02425	26.1
113.02432	24.0
119.03469	6.7
125.02408	0.9
131.03499	0.8
135.04561	1.1
142.34691	0.9
143.03494	1.5
144.30876	0.7
149.04565	1.4
152.92456	0.8
154.45659	0.8
157.90448	0.8
159.02968	1.7
161.02457	6.5
161.04524	13.3
179.03523	3.1
179.05574	1.9
209.15524	3.4
217.16020	0.9
219.43398	0.8
221.06659	1.6
341.08875	1.4
351.11087	0.8
353.19519	1.1
362.18774	3.4
371.20721	6.4
380.19553	0.9
397.22308	15.4
413.21860	49.0
414.22052	1.9
415.23401	7.7
436.42102	0.8
455.23047	1.6
456.23209	1.5
457.24454	100.0
501.23322	1.6
635.27643	1.4
959.35028	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	959.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95637	2.0
69.03807	1.7
71.01373	2.4
74.02450	3.4
76.18968	1.9
96.04534	2.6
98.00877	1.8
101.02422	2.3
116.05057	2.3
141.05905	2.3
142.06616	2.0
145.07379	2.3
152.70334	2.1
186.05621	4.6
193.24117	1.8
203.08351	4.1
325.17908	3.0
326.18854	8.8
357.17032	3.1
372.19449	2.9
413.21799	21.5
486.22562	9.1
501.25092	100.0
539.50763	1.8
915.47821	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	959.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
87.28813	0.8
96.95971	1.1
97.05293	1.3
118.06613	9.0
134.06114	4.1
147.04536	3.4
164.07201	1.6
187.12413	20.7
199.43958	0.8
200.10800	4.7
223.14510	4.4
245.10475	4.5
245.12851	1.0
247.14488	12.2
342.14514	8.8
354.61829	0.8
358.21271	3.7
385.20093	1.7
432.22925	100.0
498.25665	0.9
526.30334	37.9
588.07190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.319
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	14.6
73.02950	3.6
77.66213	0.7
77.83645	0.6
77.84348	0.7
81.58887	0.7
83.01369	0.9
85.02950	5.0
87.00867	1.7
89.02431	17.6
97.02954	0.8
101.02426	17.5
113.02427	11.1
119.03506	7.8
125.02405	0.8
131.03477	4.1
135.04544	1.6
143.03503	1.4
149.02451	6.5
149.04485	1.0
152.01140	4.9
161.04572	10.7
163.03969	2.9
164.04778	22.4
169.05055	1.5
176.31898	0.8
179.05577	14.1
179.07130	13.7
193.01416	5.4
208.03766	81.5
209.08119	3.5
221.06606	9.6
223.06114	100.0
263.07690	13.6
299.31805	0.8
341.10208	4.2
347.17020	4.8
356.12631	1.5
359.14993	1.1
365.10526	0.9
371.14975	1.1
418.42075	0.7
521.20209	3.4
533.20465	0.9
725.26917	3.1
755.27594	18.8
799.26715	68.3
961.32520	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	962.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01331	0.8
73.02932	1.1
74.42708	0.6
83.01392	0.6
87.05612	1.2
88.04037	10.4
96.04513	0.7
98.06087	0.8
100.04034	13.7
101.02425	2.7
109.04041	0.9
110.06096	0.6
112.04035	3.8
114.01942	0.8
119.03422	0.7
124.04015	5.5
125.07204	1.0
126.05553	3.8
127.05136	7.2
127.08753	1.2
128.03519	22.2
128.07141	1.3
129.06696	5.4
136.04008	1.1
138.05632	0.8
140.03563	0.9
141.06650	1.4
142.05093	6.0
143.08263	4.6
145.06155	1.1
154.05099	1.4
155.08238	1.0
156.11388	2.6
159.07718	2.6
160.06206	0.9
161.44910	0.7
163.64990	0.6
166.05093	3.2
167.56133	0.6
171.07770	6.0
172.10916	0.7
177.10312	0.6
184.06145	5.4
189.08772	3.2
193.09792	1.0
195.11400	1.0
198.12358	1.0
199.07118	0.7
199.10884	2.9
202.07253	9.4
212.14037	1.3
216.13585	4.8
221.09322	1.5
225.08789	1.6
226.11922	0.7
228.13617	4.9
235.97546	0.7
237.08836	0.7
238.11972	11.2
239.10287	0.8
242.11497	0.9
244.13010	1.3
256.13135	1.6
260.12482	5.3
273.10965	1.2
282.11029	5.2
283.17902	0.9
300.11932	0.7
304.10287	1.2
305.09219	0.7
335.53406	0.7
345.12949	1.0
355.19846	0.8
371.15756	4.0
548.20801	0.7
702.28033	1.1
775.33716	0.8
854.75232	0.7
962.38477	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	962.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97570	1.4
71.01402	1.7
87.05618	1.8
88.04031	11.9
88.57681	1.5
98.06094	1.8
99.85055	1.4
100.04031	2.6
105.15573	1.6
110.24444	1.6
112.04017	2.9
116.10036	1.8
121.47801	1.7
124.04030	3.9
126.05610	3.0
127.05103	6.4
127.08803	2.7
128.03542	24.0
129.06656	7.9
142.05034	3.2
152.27483	1.9
154.05133	3.1
156.11351	2.1
160.06064	1.8
171.07718	3.7
178.98499	1.6
184.06122	6.1
189.08841	2.2
199.10939	2.4
202.07173	5.9
207.07790	2.0
216.13478	2.5
228.13402	2.2
238.11913	11.4
242.11301	1.7
248.02794	1.6
256.12964	1.7
260.12534	6.6
282.10803	8.0
283.17792	1.7
290.75198	1.6
345.13040	1.9
484.07880	1.8
720.05469	1.7
754.71210	2.2
885.03033	1.8
962.38348	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	963.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02941	10.8
86.19434	2.0
111.00889	2.0
129.03526	2.3
205.03558	7.7
223.04616	14.0
325.07275	2.6
353.06659	56.4
356.44040	2.5
369.08182	8.5
377.14548	4.3
383.07751	33.9
395.07764	2.9
473.10812	8.6
593.15167	100.0
625.35333	2.2
914.12512	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	963.393
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	13.8
73.02912	3.4
80.59528	3.9
85.02953	4.3
87.00829	5.3
89.02422	17.0
92.25771	3.2
101.02418	21.9
108.97980	3.1
112.99034	3.1
113.02380	6.4
119.03490	5.8
161.04553	5.0
221.06529	4.4
229.17990	23.4
276.29813	3.3
296.44327	3.7
373.22321	17.0
391.23337	57.6
433.24600	5.9
469.51776	3.7
525.25183	3.6
536.52661	3.6
919.40021	100.0
963.40448	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	963.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	4.6
75.00868	12.6
85.02930	12.5
85.19300	2.3
89.02416	9.4
99.00857	3.4
101.02412	9.7
106.82365	2.5
113.02422	15.2
165.41817	2.7
178.75761	2.4
187.16118	2.2
264.20187	2.1
269.32147	2.5
380.96390	2.4
607.38373	4.6
719.41302	2.8
781.53979	2.8
787.44476	2.5
903.66742	4.5
963.48151	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	963.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00921	1.5
83.02495	2.5
93.03416	1.8
94.30757	1.5
119.04985	8.9
127.08736	2.5
130.08696	3.1
134.06129	2.5
139.08734	1.9
155.08269	13.6
163.03981	9.7
180.06653	67.5
195.15079	1.7
205.13434	2.0
223.14441	20.2
241.15613	12.5
249.16020	1.7
275.21298	46.3
303.04236	1.7
319.20328	22.6
370.09750	1.8
411.18900	1.6
500.27661	100.0
545.33813	2.0
559.34760	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	963.6861
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39313	0.4
75.34951	0.3
80.02573	0.4
83.32698	0.4
95.05004	0.6
112.07668	10.5
113.06049	3.2
129.10336	5.3
130.08717	16.0
200.57819	0.4
207.15022	5.3
208.13493	1.4
210.29796	0.3
224.17653	4.3
225.16089	33.1
233.69691	0.4
242.18675	0.5
320.23407	4.6
337.26102	3.9
338.24500	12.4
433.31686	3.6
450.34637	3.8
451.33054	6.6
462.23831	0.5
489.71344	0.4
546.40594	1.3
563.42712	2.1
564.41254	3.0
631.70313	0.4
659.47784	1.1
676.51331	0.9
789.60040	0.7
885.65265	3.2
903.66504	100.0
963.68713	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	965.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
74.85345	0.7
76.04982	0.9
78.65661	0.9
107.05029	3.9
113.78049	0.9
118.19745	0.8
118.24908	1.1
121.03043	0.9
133.06554	1.9
149.06029	9.6
163.27533	1.0
177.05499	9.8
179.03470	26.4
185.12115	0.8
196.11090	0.8
221.04572	1.0
235.32227	0.9
239.03175	1.6
239.05591	44.4
287.52524	1.0
296.06885	8.2
311.05963	1.1
323.05475	1.0
328.05911	1.1
342.64987	1.0
352.05692	1.6
353.06543	14.1
365.06689	1.2
383.07736	14.4
395.07370	1.5
413.08765	2.1
425.08789	1.9
443.09723	1.5
473.11014	5.1
503.12439	1.1
515.04425	1.0
515.11945	26.9
527.11572	1.3
545.05109	1.1
545.12994	20.6
587.14331	1.5
605.14874	1.0
725.19366	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	965.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90957	1.0
89.02449	2.4
92.20001	1.9
93.03471	1.7
94.84857	1.0
105.21889	0.9
122.32498	0.9
133.02911	3.9
135.04506	17.5
137.02415	4.5
161.02425	100.0
162.07637	1.1
179.01903	1.6
179.03484	46.2
199.94762	1.0
221.04597	2.2
230.16690	1.0
251.05492	1.5
257.16620	1.0
265.44150	1.1
281.06604	1.5
285.00421	1.0
323.07745	4.7
344.02344	1.2
503.14102	61.3
665.19379	80.4
953.50861	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	966.6587
Annotation	Unknow
Peak:m/z	Relative Intensity
74.07540	1.0
90.50407	0.9
128.13841	1.0
153.57484	1.2
177.15729	1.2
193.99533	1.1
225.16106	1.6
272.98352	1.1
538.01514	1.0
592.27661	1.1
612.63129	1.2
905.67609	1.6
906.67444	14.5
966.66089	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	967.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
91.52691	0.5
97.02943	4.4
98.03726	3.3
99.04459	0.5
112.70806	0.5
119.05007	46.2
163.03996	100.0
203.11945	0.5
217.13440	1.9
256.15820	0.9
289.15964	0.6
300.14737	20.7
300.17834	0.9
315.17172	14.7
320.30237	0.5
325.09280	31.6
486.18155	0.6
501.67062	0.6
568.41669	0.6
607.22614	2.0
641.27185	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	967.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12435	2.3
71.01364	28.5
71.32975	1.8
71.90502	1.8
73.02934	8.0
75.61819	2.2
81.76653	1.9
83.01392	2.6
84.64989	1.6
85.02913	3.7
85.53056	2.5
89.02425	20.8
99.00852	3.5
101.02425	34.2
113.02417	13.5
119.03433	9.0
125.02380	9.5
131.03468	4.1
143.03479	3.8
161.04517	10.9
165.06345	2.1
179.05577	3.8
221.06645	11.9
383.11917	2.7
384.13651	2.0
403.16891	2.2
407.11380	2.0
790.52911	2.5
860.46857	2.4
967.43805	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	969.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01934	1.3
71.01381	2.2
71.97546	1.2
73.90370	1.3
73.91490	1.2
74.60487	1.3
83.01385	5.1
85.02937	91.0
101.02426	7.4
111.00864	28.4
119.04972	2.0
129.01923	44.2
138.15111	1.2
159.03036	1.3
161.04597	1.7
161.55164	1.3
163.04036	10.3
163.05186	1.2
199.88864	1.1
205.03511	31.2
223.04562	45.0
232.37102	1.3
256.70081	1.5
330.27261	1.5
369.08276	100.0
691.12683	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	969.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
81.69074	1.3
87.00856	50.0
107.05006	1.9
121.02956	7.9
122.03746	12.8
130.99841	36.3
132.00639	7.4
134.03752	2.5
136.07663	8.9
137.02423	1.8
147.04495	8.9
148.05255	2.8
162.05458	1.9
163.03951	5.5
191.03419	2.0
191.10760	11.1
192.04269	6.2
194.02202	1.8
199.08752	2.8
201.09212	1.4
213.14008	1.5
215.08235	5.8
219.10257	1.6
239.11902	32.5
254.04321	16.0
268.08691	2.1
291.08746	6.1
300.70828	1.4
308.17624	12.8
333.14578	2.4
336.20810	3.3
351.10855	100.0
360.17105	2.9
362.18753	53.6
371.12341	1.6
380.19775	39.6
406.17538	6.9
410.98300	1.5
424.18631	3.2
439.23508	5.8
441.24637	2.4
587.25244	9.6
617.26178	82.4
656.13037	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	969.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.5
71.01375	36.7
73.02940	70.9
74.03805	1.2
76.34161	1.2
77.11260	1.3
83.01371	16.2
85.02929	7.7
89.02432	25.5
95.01372	2.4
97.02922	1.5
97.24300	1.1
101.02428	74.0
113.02426	30.5
119.03518	10.3
125.02418	1.7
131.03487	7.4
143.03458	6.4
149.04556	8.6
161.04539	26.0
194.43900	1.1
221.06674	13.4
267.42319	1.5
331.17584	5.4
341.10236	4.6
344.12546	6.5
356.12494	2.9
359.14963	12.6
371.14969	6.9
373.18655	100.0
389.16150	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	971.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
92.20037	3.1
122.03748	1.6
126.72074	1.4
126.76277	1.4
129.89993	1.5
134.03729	3.2
136.01619	2.0
140.68449	1.6
149.02415	13.6
149.06047	7.8
150.03206	55.5
151.03993	6.0
152.04808	1.7
164.04759	7.9
165.05545	100.0
166.02734	1.7
166.48875	1.3
167.03453	1.6
179.07135	2.3
180.04279	8.3
181.04997	11.3
195.06624	14.2
205.05136	1.7
220.07455	2.2
305.94315	1.6
329.10593	1.7
341.86606	1.6
423.34125	1.5
535.16449	1.9
550.18384	1.9
565.21167	6.3
613.23175	6.6
684.77411	1.8
713.25800	3.1
743.26666	2.2
761.28430	25.7
791.29169	9.0
809.30212	62.0
923.32574	2.4
971.35211	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	971.398
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	36.6
73.02940	4.1
83.35619	3.2
85.02932	7.2
89.02421	51.3
101.02422	51.5
105.38995	3.0
113.02414	38.2
119.03466	19.4
125.02409	13.4
131.03484	17.3
137.95740	3.1
139.46005	3.1
143.03477	4.3
154.58519	3.3
161.04568	19.9
179.05627	5.8
221.06635	20.4
383.11865	4.4
515.70581	3.4
619.69531	3.4
633.25104	7.4
657.16992	3.8
867.38519	36.6
885.39410	17.5
927.40857	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	973.403
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	3.9
73.02919	0.8
79.52201	0.4
81.04081	0.4
83.66930	0.5
85.02915	0.6
87.00884	0.9
89.02428	6.8
96.96001	0.4
101.02422	6.1
113.02442	4.1
119.03484	3.7
125.09677	6.2
149.09613	0.5
153.09198	15.0
155.10762	1.8
167.10785	2.8
169.08713	3.0
170.64291	0.4
171.10258	26.8
197.08197	7.1
211.09773	0.6
213.11270	1.1
215.09253	24.2
239.09219	0.7
257.10367	4.9
293.57291	0.6
333.15573	2.8
359.13446	3.0
377.14536	100.0
421.73578	0.5
677.24585	0.6
707.31287	0.5
975.51532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02980	1.5
85.02930	0.9
94.00446	0.7
95.57024	0.7
101.02399	1.4
102.58011	0.9
112.04013	1.0
114.85943	0.8
127.23137	0.7
129.05580	1.2
136.07652	1.2
148.04028	14.6
150.05591	6.4
154.05049	3.1
160.04027	1.8
161.04807	31.6
162.05557	3.1
173.03531	1.2
174.04330	0.9
174.05734	0.9
175.05103	38.6
176.05826	3.3
177.06737	0.9
189.12729	1.0
190.07460	1.1
191.08202	2.6
193.05025	3.3
200.07169	0.9
200.95938	0.7
201.09297	1.4
202.03822	0.9
202.08733	6.3
203.04623	15.2
204.06729	1.1
211.98869	0.8
216.06627	6.2
217.07487	2.9
219.11385	1.1
227.09492	1.3
231.07732	1.0
232.08540	10.7
233.09308	35.1
242.08237	1.1
243.11339	1.1
244.09807	62.7
245.09195	5.8
251.12906	6.5
261.12436	1.0
263.10379	4.3
286.09506	4.4
287.10355	10.6
287.13788	2.2
293.13889	4.7
295.10791	1.2
305.11380	9.1
313.68747	0.9
329.95926	0.8
337.10266	0.9
338.11566	2.9
339.12057	1.5
362.18661	4.6
370.17670	4.8
424.18512	1.2
468.17758	33.3
472.20630	1.3
605.26233	23.0
635.27246	100.0
636.27924	1.0
658.61633	1.0
931.25800	0.9
950.91937	0.9
965.28094	0.8
973.36737	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	973.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	19.4
73.02931	20.1
83.01368	3.7
85.02936	8.2
87.00860	2.2
89.02439	7.5
99.00859	3.7
101.02424	27.8
101.03072	0.9
113.02436	13.1
119.03458	3.6
122.20573	0.9
125.02412	1.3
131.03506	1.1
149.04527	1.2
161.04489	10.4
161.96751	1.0
170.95525	1.1
187.11229	4.9
190.09903	1.3
203.05594	1.0
204.11557	1.3
205.12343	11.7
221.06615	3.6
233.11803	5.1
253.18008	2.2
259.13266	1.8
277.14267	2.0
377.81726	1.0
395.78522	1.1
397.22354	7.9
413.46939	1.0
415.23428	7.5
427.19766	24.5
455.22678	1.1
456.23663	1.4
457.24469	100.0
473.23837	1.4
554.44299	1.0
577.21588	1.3
606.19769	1.1
917.75208	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	973.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	16.2
73.02927	2.9
75.40044	0.4
83.01369	1.1
85.02417	0.6
85.02924	6.9
87.00868	1.9
89.02430	22.1
95.01370	2.2
97.02932	0.7
99.00849	1.1
101.02435	18.9
103.03972	2.7
113.02435	15.1
115.03951	1.1
115.88256	0.5
119.03489	9.8
125.02441	0.9
127.72226	0.4
128.17422	0.4
131.03453	1.9
143.03502	4.6
145.05014	0.6
163.06102	1.1
205.07143	1.1
237.84821	0.5
331.42401	0.5
482.35532	0.5
551.79596	0.7
599.39221	0.5
751.42719	5.1
913.48053	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	975.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
79.81786	1.9
89.81071	1.7
92.19994	4.9
129.49438	1.8
135.04465	2.5
136.07664	12.0
138.09212	2.7
142.40134	1.9
161.02489	6.2
161.04900	3.3
161.07196	4.2
162.05573	3.1
164.10774	2.7
179.03458	7.1
180.75296	2.0
213.10310	2.5
215.08257	71.7
215.11728	3.9
229.13443	3.1
233.09308	28.9
241.09782	32.0
243.11256	3.0
254.10732	2.3
255.11311	32.6
256.09802	1.8
259.10834	4.7
267.07733	3.4
268.08569	4.2
285.08780	8.6
286.09637	3.2
299.10342	2.9
303.09772	14.3
339.09225	2.9
341.08829	3.0
350.14810	2.4
380.20044	2.7
381.18356	2.0
396.15527	2.4
406.17609	2.5
410.20975	3.4
442.19958	8.6
448.85068	2.4
466.15887	3.0
482.91605	2.2
590.27405	23.4
635.27252	100.0
808.26019	3.6
919.60309	2.7
945.34406	2.7
975.35132	44.9
997.71643	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	975.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38882	0.7
71.01367	0.6
71.19883	0.6
72.75483	0.5
87.67395	0.6
88.91683	0.7
90.03575	0.6
106.02576	0.6
109.02924	6.4
119.58958	0.8
130.08698	1.0
131.22630	0.6
133.02945	26.6
135.04520	4.7
136.07652	1.3
138.09265	0.8
151.03978	1.4
154.08719	1.1
161.02377	1.2
161.04680	1.1
177.01941	8.2
179.03485	1.2
189.12898	1.1
215.08282	8.9
215.11737	0.7
219.13884	4.5
220.14272	0.9
233.09271	4.3
241.09932	5.2
255.11342	3.7
265.09778	5.5
267.11319	5.4
291.07919	4.7
292.08490	6.8
293.09305	10.0
303.10028	1.6
308.17331	0.8
309.08835	3.5
310.09637	1.1
311.10376	15.3
329.11456	3.2
333.12238	1.2
339.07230	3.1
357.12592	2.6
358.13153	2.8
359.13992	8.1
360.17197	4.2
362.18787	11.4
371.13846	0.8
380.19672	2.6
385.12000	1.4
386.18591	1.2
401.11731	1.1
403.13358	1.2
404.19806	2.7
406.17587	5.8
412.16724	1.3
429.10861	0.8
430.17761	13.6
442.19397	0.9
448.18771	5.3
456.15613	2.6
472.15009	1.0
473.14944	0.8
496.22437	7.2
522.20325	6.7
538.88928	0.8
540.21478	4.6
558.22095	2.7
566.19147	1.5
584.20483	2.9
590.27454	3.0
610.24030	3.5
628.25226	1.0
635.27246	14.0
887.46606	6.0
945.33740	3.2
975.35114	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	975.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	15.6
73.02931	14.5
75.84760	0.8
77.27669	0.9
83.01369	8.0
85.02935	19.5
87.00885	1.0
89.02418	3.4
99.00882	6.5
101.02428	82.6
110.27289	0.9
111.00850	0.9
113.02435	17.3
113.04490	0.7
118.08818	0.7
130.06607	32.4
143.03484	3.3
159.02969	1.6
161.04530	6.9
172.07686	6.9
188.07155	10.5
200.07158	20.1
214.08717	3.4
292.11914	66.4
336.10910	79.0
350.12433	9.7
394.41724	0.9
502.29889	1.1
579.02875	0.9
598.72595	1.0
601.57910	0.9
638.30859	100.0
673.22589	19.0
897.82513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
82.33968	0.4
93.75064	0.3
124.07644	0.5
133.02922	3.3
134.14452	0.4
135.04515	33.0
136.07686	2.6
153.85126	0.3
154.08723	11.1
161.02431	74.6
179.03490	90.6
180.06670	3.7
197.29539	0.4
198.07828	0.4
199.08760	4.0
213.13991	2.4
238.11111	0.5
239.11900	28.7
266.52612	0.4
282.15582	0.4
308.17700	5.3
319.18115	0.7
320.17746	0.6
333.14761	2.7
336.20825	4.3
341.08780	46.3
347.16129	0.7
360.17261	0.9
362.18753	63.1
380.19803	30.1
380.23590	0.6
406.17599	2.8
424.18771	1.9
827.93567	0.5
934.12848	0.4
947.36261	4.3
977.36670	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	977.367
Annotation	Unknow
Peak:m/z	Relative Intensity
88.81482	1.0
94.65683	0.8
102.21850	1.0
105.85527	1.0
133.02885	3.6
135.03514	1.0
135.04518	22.8
154.08704	11.6
161.02426	100.0
179.03490	72.5
179.05527	3.1
180.06651	2.0
199.08690	1.3
239.11906	29.6
308.17776	6.8
333.14706	1.4
336.20844	4.7
341.08777	39.8
352.40469	1.1
362.18768	60.8
368.20679	1.1
380.19778	29.1
406.17709	2.1
424.18616	1.1
561.26648	1.1
659.82825	1.0
947.35596	4.1
977.36627	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	12.4
73.02942	1.5
75.00861	13.0
75.03322	1.0
76.73425	1.0
83.01373	1.2
85.02940	10.7
89.02443	7.4
95.01360	1.8
99.00847	4.8
101.02425	9.5
109.91534	1.0
113.02426	18.2
115.00323	1.6
119.03477	2.1
129.05124	0.9
190.82527	1.1
219.24738	1.0
299.89319	1.4
459.31232	1.8
603.35156	1.2
621.36469	9.0
735.39001	1.7
794.18866	1.1
801.43048	1.6
977.46027	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	977.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	17.6
80.72211	0.5
83.09508	0.5
85.02924	3.3
87.00883	0.6
89.02427	30.0
101.02424	14.8
111.17982	0.5
113.02430	12.6
119.03478	9.7
121.10209	15.1
131.03497	0.8
143.03441	0.7
179.05672	2.1
270.21396	0.6
305.12119	0.6
345.15540	100.0
479.12561	0.6
631.36206	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	979.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	21.2
73.02934	4.4
77.04290	1.9
85.02935	2.5
89.02435	17.6
99.00896	3.3
101.02425	18.1
113.02432	13.1
119.03465	8.6
120.79598	2.0
131.03487	8.6
133.23886	1.9
151.07585	2.5
152.08379	11.1
153.09193	32.9
161.04538	18.7
172.59285	2.5
179.05656	2.5
202.99287	1.9
205.12283	11.3
221.06633	14.4
223.13397	4.2
279.51398	2.1
427.19724	49.3
453.87421	2.8
469.61014	2.6
507.20868	100.0
935.38806	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	979.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	10.3
73.02927	2.3
74.30078	1.9
75.00866	11.8
82.46144	2.3
85.02940	13.2
89.02422	2.4
89.42397	2.2
99.00900	3.0
101.02422	4.7
110.62581	2.5
113.02433	15.9
115.30858	2.3
144.18939	2.6
160.78702	2.3
179.03441	2.4
190.89893	2.4
191.90196	2.5
333.57352	2.9
554.98456	2.6
623.37976	8.9
795.12646	2.8
979.47797	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	980.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
72.30428	1.1
72.72421	1.1
73.62038	1.0
76.44939	0.9
90.04996	1.1
147.04520	2.1
164.07117	4.3
224.32654	1.1
227.07150	7.1
245.10600	1.6
253.05139	1.7
269.08194	100.0
447.21622	15.4
462.24005	61.8
473.14444	9.4
620.53302	1.3
936.39191	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	981.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98583	1.1
85.02927	2.5
88.21853	1.2
113.02422	1.4
120.39832	1.4
123.04498	6.1
125.02411	8.8
135.04529	1.4
156.03087	1.4
167.03490	22.7
179.03497	6.4
197.04521	13.9
199.73172	1.3
209.04543	91.8
221.04675	1.4
239.05608	77.1
245.60774	1.4
251.05615	5.9
269.06641	29.4
281.06711	1.7
311.07779	2.2
311.99893	1.3
329.08505	5.5
341.08673	1.8
371.07556	2.6
371.63385	1.2
388.37720	1.4
401.08774	1.7
491.11975	18.3
512.08148	1.3
593.14948	2.6
611.16199	100.0
672.02881	1.4
887.49792	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	981.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
75.89083	0.5
87.00855	0.8
93.85959	0.5
107.04992	6.9
121.02985	0.7
133.06583	5.1
135.04494	1.3
149.06062	16.7
177.05550	21.5
179.03487	41.5
195.06624	4.7
221.04562	2.2
239.05603	100.0
241.87984	0.6
267.63559	0.5
416.44946	0.6
906.15344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06622	2.6
74.40108	2.4
87.69514	2.5
96.89203	2.4
98.21409	2.4
117.60409	2.5
122.03703	5.2
131.74745	2.6
149.02426	10.0
150.03198	91.8
164.04700	4.0
165.04204	5.0
165.05550	100.0
166.02679	3.8
178.02577	2.6
180.04225	5.1
186.01779	2.7
192.04320	3.2
195.06609	30.8
206.18364	2.3
267.08646	10.2
270.08670	2.7
333.10693	2.9
336.06601	3.4
337.07880	2.8
339.08914	2.8
351.08682	24.8
352.09503	3.2
365.10309	3.3
366.10974	10.5
367.11761	3.5
381.13382	11.3
411.10718	14.1
415.13669	3.2
426.13153	5.6
441.15500	13.0
445.13831	2.7
463.15585	3.6
499.15076	3.4
649.22772	14.2
709.24756	10.8
797.28143	19.5
815.29718	21.8
832.80621	3.2
845.29974	43.6
857.29877	46.5
905.32452	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	18.1
72.71665	3.8
73.02940	4.6
73.79256	3.9
83.01427	4.1
85.02936	6.4
89.02451	23.0
93.43385	4.0
99.00854	4.6
100.21572	3.9
101.02422	38.3
111.42261	3.6
113.02434	8.8
119.03482	15.3
125.02435	3.9
131.82100	3.9
161.04546	14.4
179.05573	6.6
186.39381	3.8
221.06630	19.4
335.22339	17.7
435.76541	4.2
497.27435	9.1
531.14508	4.6
983.43225	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	983.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84179	1.9
71.01369	29.9
73.02919	3.6
85.02931	3.5
87.00882	3.3
89.02439	32.9
101.02426	43.4
107.03733	2.2
113.02420	15.3
118.50281	2.1
119.03481	16.7
125.02434	12.8
131.03474	11.5
140.12021	2.9
143.03453	8.3
161.04539	18.1
175.50873	2.4
179.05621	12.7
221.06689	15.5
245.06810	2.7
323.09909	5.2
335.22281	96.3
375.21127	2.6
383.11954	16.4
432.04974	3.0
527.16534	2.5
545.17352	11.4
647.20386	12.7
785.24152	2.7
983.43384	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	983.434
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	14.2
73.02930	6.0
73.22720	1.0
85.02924	4.4
87.00877	1.9
89.02427	25.8
95.01388	1.5
101.02430	29.6
113.02460	10.7
119.03458	10.1
125.02412	6.7
131.03481	6.6
143.03464	4.7
159.03000	1.7
161.04568	10.2
179.05579	7.6
200.16035	1.3
221.06650	13.9
245.06708	2.7
293.41711	1.4
317.21118	4.5
335.22351	11.0
383.11899	5.5
467.76532	1.3
469.56342	1.4
497.27643	16.1
753.40424	1.2
983.43475	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	983.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	16.8
72.94608	1.5
73.02929	6.2
87.00845	1.3
89.02438	26.2
96.52628	1.2
96.95999	1.2
97.02940	2.1
97.96934	1.2
99.00854	1.9
101.02428	23.3
113.02431	13.3
119.03499	10.4
125.02430	6.6
131.03490	6.8
143.03467	2.7
158.57309	1.4
161.04533	10.1
179.05586	2.9
221.06747	13.6
245.06607	2.9
263.07767	1.9
335.22308	21.8
383.11984	2.7
497.27554	16.4
726.65002	1.7
939.44165	2.6
983.43457	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	984.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	30.2
73.02947	11.1
77.25422	2.9
83.01389	4.1
85.02944	12.4
89.02428	12.1
91.05511	4.5
92.19957	3.7
101.02435	36.5
113.02419	26.9
117.27933	2.6
118.06606	9.9
153.35529	3.0
161.04585	11.3
164.07210	4.0
232.16293	2.8
289.16568	5.0
368.03757	3.0
432.23151	6.8
446.24503	28.8
451.21899	10.1
478.92914	2.8
493.22900	100.0
593.34100	3.5
619.42828	3.1
818.22748	3.7
940.47949	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	27.2
73.02920	9.4
75.26424	1.5
83.01366	3.2
85.02930	11.1
87.00815	2.3
88.98792	2.0
89.02417	21.9
95.01376	3.1
99.00881	3.7
101.02427	30.9
113.02429	19.1
118.06611	14.9
119.03469	8.0
120.50254	1.7
123.02345	1.5
125.02496	2.2
131.03479	2.8
133.21930	1.8
147.04494	3.8
161.04526	9.1
179.05582	2.2
190.91980	1.9
221.06606	12.1
251.86702	1.9
400.03168	1.9
432.22812	8.9
446.24652	22.8
451.22171	3.6
493.22961	100.0
493.30273	3.5
506.72803	1.6
765.04602	1.7
822.33215	1.9
862.06689	2.1
940.48035	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.392
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01361	20.0
71.79045	1.4
73.02936	33.9
81.03461	1.7
83.01369	8.0
83.05009	2.4
85.02917	3.1
89.02425	7.5
97.02948	2.1
101.02425	32.6
110.84518	1.7
111.04473	1.6
113.02420	17.8
115.79412	1.4
119.03469	2.0
121.06588	5.1
125.37364	1.6
131.03456	2.4
136.05243	2.9
137.06029	1.9
138.06799	2.3
139.07646	21.3
149.04524	5.8
151.07631	6.1
153.09109	2.0
161.04550	13.4
168.07889	42.9
173.09691	2.4
191.10916	1.4
205.12386	1.8
217.12318	11.9
219.13814	2.7
221.06633	12.0
235.13417	19.5
247.13394	15.4
265.14410	28.5
409.18683	17.1
427.20038	11.4
439.19751	3.4
469.20752	100.0
549.54755	2.0
920.04645	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	985.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02972	5.3
71.01358	0.7
72.04546	1.3
74.02462	28.8
89.02419	0.6
98.02456	6.3
101.02419	1.3
108.65173	0.5
116.03517	15.6
116.05026	7.2
130.06671	0.6
142.06633	1.2
159.09233	3.1
161.04517	0.7
186.05780	0.6
201.10295	4.7
202.55867	0.7
203.08260	62.1
215.60455	0.6
237.42938	0.6
245.09297	100.0
289.08325	6.0
695.31317	3.5
760.97339	0.7
941.41046	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	985.429
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	0.9
73.02928	0.6
74.09071	0.7
75.00841	0.7
85.02931	1.2
89.02407	0.9
110.02412	0.8
112.04061	0.6
113.02422	1.3
129.05508	2.3
136.07654	1.3
148.04042	11.7
150.05630	6.8
154.05060	3.4
160.04051	2.9
161.04807	26.7
162.05602	2.6
163.11311	1.0
164.03564	0.7
173.03520	1.0
174.04306	1.2
175.05106	38.5
176.05875	2.4
187.06384	1.0
189.06674	1.1
189.12801	0.9
191.08241	2.3
193.27159	0.6
200.10658	0.7
201.09270	2.9
202.03677	0.9
202.08771	5.6
203.04597	10.6
203.08339	0.6
215.06009	0.7
215.08235	1.2
216.06708	5.8
219.11426	0.6
226.08716	0.8
227.09486	0.6
228.06537	0.6
229.07465	1.4
231.07695	2.4
232.08495	10.8
233.06924	1.3
233.09290	33.9
243.07686	0.8
244.09795	65.0
245.09247	7.1
251.12852	7.6
263.10431	2.5
270.07855	0.8
276.07574	0.6
285.08881	0.7
286.09796	4.5
287.10367	8.4
287.13724	1.8
288.08609	1.3
293.13919	3.0
295.10803	1.3
295.41483	0.7
304.10544	0.8
305.11481	8.2
312.13574	1.3
338.11267	2.7
339.12155	0.8
354.67593	0.6
362.18616	1.1
370.17719	3.8
380.19598	1.0
382.17853	0.8
442.19492	0.9
468.17706	28.8
472.20688	3.4
543.28168	1.2
547.48883	0.6
586.45801	0.7
603.30200	1.4
605.26221	21.1
635.27252	100.0
888.46228	0.7
905.57947	0.6
941.39667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.444
Annotation	Unknow
Peak:m/z	Relative Intensity
83.59225	0.3
86.60709	0.3
91.05518	1.2
96.04537	0.4
97.05306	2.0
98.06085	0.4
110.06091	0.3
115.96720	0.3
118.06606	8.7
128.76662	0.2
133.98013	0.3
134.03731	0.3
135.04503	1.9
147.04536	2.6
164.07106	2.1
185.10835	0.4
187.12389	19.6
200.10803	5.5
201.11694	0.4
202.12321	0.5
245.10587	4.5
259.31198	0.3
336.76849	0.4
366.29245	0.3
432.22910	100.0
505.18271	0.5
553.20831	2.5
650.96368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	23.1
71.59082	1.9
71.64994	2.1
73.02944	10.9
83.01396	4.3
85.02930	17.1
85.62740	2.2
87.41267	2.3
89.02458	3.1
93.52511	2.0
95.01401	2.8
101.02424	30.9
101.78745	2.7
113.02420	16.6
118.06585	9.9
143.03508	3.0
159.02943	3.1
161.04547	14.2
210.57234	2.9
249.12413	2.0
291.18143	10.5
388.23523	2.5
432.22772	5.1
446.24673	18.5
495.24448	100.0
495.31674	3.8
942.49530	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02396	0.3
108.02154	4.2
123.04511	6.4
127.44353	0.3
152.01154	11.6
162.72379	0.3
166.02654	2.2
167.03484	100.0
181.05081	6.3
209.04553	5.9
377.12424	8.8
407.16232	0.3
539.17719	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	0.9
82.02992	0.9
87.00842	5.9
89.02433	0.9
99.15389	1.0
101.02461	0.9
112.05268	1.7
113.02454	1.1
121.02913	5.2
122.03707	1.0
129.05571	3.9
130.99866	1.1
137.98347	0.9
147.04500	1.9
148.04013	16.0
150.05573	6.3
154.05095	1.6
160.04041	1.7
161.04805	36.8
162.05571	1.9
163.04019	1.0
167.11781	1.1
173.03502	2.1
175.05101	50.4
176.05719	2.1
189.06696	1.4
191.08292	4.4
194.02303	1.0
201.09229	4.0
202.08768	8.5
203.02843	1.4
203.04596	16.3
215.05917	0.9
216.06653	7.9
227.09433	1.0
229.07397	1.5
231.07787	1.5
232.08492	10.7
233.09282	38.6
234.09654	1.8
242.08296	1.0
243.11340	1.2
244.09807	73.0
245.06882	1.8
245.09479	9.0
246.09865	1.2
251.12711	1.0
263.10318	6.3
286.09500	6.5
287.10468	9.1
288.08853	1.5
291.08704	4.3
305.11374	7.4
312.13611	1.7
338.11453	2.2
339.12265	1.0
351.10892	14.2
370.17694	6.3
430.19073	1.0
459.26147	1.8
468.17783	33.0
469.18140	2.0
470.18585	1.8
472.20541	1.9
605.26215	24.4
606.26343	1.9
607.27533	1.4
635.27240	100.0
636.27911	8.8
637.27948	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	987.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	15.1
72.99133	2.4
73.02928	9.5
85.02946	6.5
86.84703	2.7
89.02404	3.8
101.02424	24.7
113.02441	10.4
155.01636	2.9
161.04532	4.6
216.30495	2.8
242.59839	3.4
252.37102	3.1
273.41196	2.9
339.16092	2.9
392.29401	2.9
470.14401	2.6
519.24536	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	987.4807
Annotation	Medicagenic acid 3-O-triglucoside
Peak:m/z	Relative Intensity
71.01378	11.9
71.13077	0.8
73.02928	7.5
75.00977	0.9
80.10532	0.8
85.02936	2.1
85.13877	0.9
87.00871	1.5
89.02429	14.6
97.02966	1.2
101.02423	12.0
113.02425	9.1
119.03470	4.6
125.02429	1.5
126.28934	0.9
131.03452	4.4
132.04065	1.0
143.03522	1.2
161.03329	0.9
161.04486	6.5
170.01535	0.8
179.05554	1.8
197.37341	1.0
221.06596	7.0
337.21753	1.4
353.24893	6.0
371.25916	2.1
439.32126	16.6
457.33231	29.0
483.30917	2.2
501.32297	34.4
543.18524	1.0
556.30225	1.0
969.45709	1.1
987.48096	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	987.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
72.54774	0.4
92.19282	0.8
111.95732	0.4
148.05295	7.1
149.05862	0.5
150.03181	1.0
160.05261	3.1
161.06041	0.8
162.03217	4.8
162.06865	0.5
163.03995	12.4
175.07669	0.5
177.05579	2.3
178.06384	4.2
180.04266	4.0
192.04280	1.0
193.08760	0.6
194.14134	0.5
204.04248	4.8
205.05070	4.0
207.02959	2.9
219.06639	0.9
221.04483	1.8
222.05363	6.4
224.03131	0.6
254.04282	3.4
281.08173	1.0
284.10553	7.0
295.10110	0.6
296.10477	8.9
299.12875	24.5
306.27173	0.5
311.12885	17.2
314.11646	2.2
325.10913	0.5
329.13956	46.3
355.11816	5.3
358.10434	0.6
373.12936	100.0
379.36942	0.5
451.33023	1.6
535.18121	2.5
781.77277	0.5
870.83563	0.5
987.52161	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	987.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	5.1
79.01728	4.0
89.02447	6.3
92.19948	8.4
101.02429	9.4
101.81110	4.3
125.02422	4.5
155.85956	5.0
171.10210	16.4
174.11137	4.6
197.11809	5.8
211.13406	22.0
229.22588	4.3
277.21704	36.8
283.16431	5.8
293.21115	10.7
311.22330	100.0
397.13461	36.8
636.91595	5.0
675.36017	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	11.1
74.13548	4.8
87.00845	6.0
89.02430	10.3
96.81894	4.3
101.02415	10.6
101.86156	4.2
113.02356	14.5
119.03468	5.6
125.02452	8.8
146.68071	4.5
161.04575	6.3
197.11819	9.6
199.13292	5.9
205.24922	4.7
209.15413	5.7
211.13330	24.6
262.46356	4.6
277.21698	57.5
293.21231	11.0
311.22256	100.0
397.13449	76.8
415.14746	31.5
523.07922	5.0
675.35968	50.5
914.75110	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	987.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67135	1.1
71.01387	1.0
83.74150	0.9
116.92832	1.4
128.08459	1.2
167.14407	1.9
183.13911	1.4
195.13884	8.8
277.21765	4.2
293.21173	10.0
308.63828	1.0
311.22284	100.0
362.18570	1.0
397.13135	2.3
415.74628	1.1
517.25116	1.2
645.99115	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	989.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	0.4
71.01369	15.1
72.99273	0.5
73.02933	25.9
80.32409	0.4
83.01381	4.6
83.04984	0.8
85.02929	4.1
87.00866	2.0
89.02426	12.2
95.01360	1.5
97.02920	0.5
99.00877	0.8
101.02426	27.9
111.00878	0.6
113.02431	12.0
119.03484	5.9
125.02409	1.9
127.04019	1.6
131.03494	4.0
143.03493	2.4
149.04546	3.0
152.08437	0.5
153.09225	1.8
159.03008	0.4
161.04546	9.9
179.05574	0.9
203.05650	0.9
205.12302	0.8
207.13831	0.5
209.15475	5.6
221.06653	11.0
235.58162	0.4
269.17499	0.6
284.60095	0.4
339.71835	0.5
361.79172	0.4
367.17618	1.7
378.91794	0.5
413.21790	8.9
427.19827	6.3
431.22919	5.3
469.20685	0.6
471.22113	0.6
473.23904	100.0
517.22662	0.8
913.97711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	16.9
73.02937	4.3
85.02945	7.7
87.00848	2.0
89.02420	9.3
92.48228	1.8
101.02419	17.1
113.02453	15.4
119.03490	4.5
127.61488	1.6
147.63123	1.7
161.04530	3.0
267.49072	1.8
399.23779	20.7
417.24966	4.2
441.25098	10.3
459.25961	100.0
460.26389	3.0
461.26852	3.3
652.99774	2.1
865.82251	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	989.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01361	5.5
76.99664	1.2
87.00794	1.3
89.02409	4.8
101.02420	6.6
113.02420	1.2
119.03448	1.9
125.63644	1.2
135.74867	1.2
136.92453	1.1
235.08247	1.5
248.51102	1.3
277.21753	20.8
295.22791	1.4
311.22269	1.5
312.22522	1.4
313.23862	100.0
397.13507	23.6
399.72229	1.4
415.14526	5.4
416.56934	1.3
463.47183	1.3
675.35980	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	991.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	17.8
73.02937	11.8
85.02911	2.8
89.02430	15.2
99.86771	1.6
101.02425	17.7
113.02451	19.8
119.03469	3.8
130.74660	1.6
179.05702	1.9
188.47667	1.8
263.10132	1.8
269.08218	7.6
293.66245	2.1
337.08054	2.0
354.29718	1.9
411.20087	3.7
471.22391	100.0
515.21411	7.2
645.06171	1.7
768.51257	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	991.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	1.7
73.02916	1.3
78.44819	1.1
85.02917	2.6
98.66162	1.2
101.02365	1.5
113.02416	1.3
124.07669	13.4
133.02948	2.4
133.30431	1.2
135.04518	28.2
148.03972	1.9
161.02429	100.0
161.04602	6.2
168.06648	11.5
175.05057	1.9
179.03485	77.3
179.05351	2.6
179.05637	2.5
180.13501	1.7
193.04993	2.2
215.08195	2.9
227.07092	1.8
233.09552	1.3
239.11899	10.2
239.97929	1.3
244.09685	5.5
308.17569	1.8
336.20670	2.1
341.08765	56.7
345.27411	1.5
346.79565	1.5
356.76184	1.3
362.18744	42.3
380.19794	17.5
398.08865	1.4
406.17691	8.5
485.51389	1.4
653.28406	4.6
654.28406	6.8
655.28064	2.2
832.87384	1.5
953.58929	1.6
961.34460	5.1
991.34863	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.5291
Annotation	Unknow
Peak:m/z	Relative Intensity
73.24460	1.1
74.02459	5.3
91.05537	2.9
96.04529	4.8
96.95988	1.5
98.06108	1.2
103.69776	1.4
105.51341	1.2
110.06093	4.9
116.05030	13.3
118.06615	17.9
124.07652	4.8
130.06587	1.3
137.04828	2.1
147.04512	5.2
157.07675	9.4
158.09727	6.3
164.07181	2.0
187.12386	4.5
200.10802	5.0
203.08253	7.0
255.18567	1.7
284.11563	1.5
284.17490	2.3
298.19244	5.0
312.20770	2.0
338.18814	2.4
342.18143	2.3
356.19855	19.0
427.24792	2.4
432.22876	7.2
441.26523	4.6
446.18356	1.8
446.24478	40.3
471.23987	26.2
485.25589	100.0
506.26260	1.4
545.27612	5.0
917.42426	1.4
932.51007	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	995.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50533	0.5
71.73185	0.6
76.59528	0.5
78.95908	1.0
127.41775	0.5
130.70052	0.6
140.01134	0.9
164.74850	0.6
214.04883	1.3
279.23279	100.0
341.88120	0.6
476.20923	1.5
476.27814	47.3
671.40289	0.7
858.26929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02107	0.4
73.24077	0.4
78.95910	5.8
135.40997	0.4
140.01175	3.9
152.99564	0.8
196.03798	10.8
205.16272	0.4
210.09319	0.3
214.04832	2.3
224.53838	0.4
263.96887	0.4
279.23291	100.0
312.93976	0.4
476.27850	64.8
485.62589	0.4
493.85889	0.4
515.11963	0.4
995.60901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	0.9
79.50576	0.5
88.81770	0.6
133.74033	0.6
152.99550	11.2
255.23277	100.0
483.27304	50.7
748.54492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5868
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06642	1.9
152.99553	4.3
157.03227	2.0
184.29477	2.3
218.87729	2.5
255.23289	100.0
274.93195	2.7
415.75659	2.2
483.27161	54.4
558.04535	2.5
945.10754	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	997.6256
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49622	1.4
78.95894	8.8
91.05271	1.4
92.19418	2.1
125.09338	1.5
140.01178	7.3
196.03896	13.1
305.24866	100.0
502.29391	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29298	1.4
71.01376	33.1
73.02934	40.0
83.01372	10.4
83.05003	8.7
85.02929	10.4
87.00853	2.2
89.02420	22.2
90.73469	1.5
95.04980	2.0
99.00912	1.6
101.02421	53.2
113.02430	39.4
115.29731	1.8
119.03472	11.8
131.03490	3.2
143.03481	9.3
149.04533	7.6
161.04544	46.3
161.05817	3.1
179.05605	24.0
201.47112	1.6
203.05624	7.6
203.14433	13.6
221.06682	20.0
221.15445	48.6
233.15318	5.5
251.16496	30.8
252.76442	1.8
259.42444	1.8
275.86914	2.4
296.05554	1.7
332.93951	1.7
395.20926	2.3
455.22900	100.0
499.21317	2.3
699.11078	1.7
747.38965	2.0
774.11694	1.6
887.33105	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	999.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01346	2.5
73.70014	1.5
89.02425	3.7
101.02421	4.2
109.01076	1.6
113.02419	2.3
119.03479	2.4
159.06477	1.7
161.04454	2.9
175.86281	1.6
326.80969	1.8
488.03973	1.9
496.42911	1.6
513.20642	1.7
626.59308	2.0
643.87152	1.7
824.06177	1.9
999.44562	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	999.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	17.7
73.02940	6.5
77.46146	1.1
80.81223	1.1
83.01386	4.0
85.02936	9.2
85.25144	1.0
87.00850	2.5
89.02429	24.5
92.39220	1.0
95.10622	1.0
97.02984	1.4
101.02432	22.6
113.02435	17.9
115.03998	1.5
119.03465	7.2
125.02393	1.8
131.03482	2.4
143.03476	5.5
178.17213	1.2
205.43579	1.0
206.15004	1.3
339.22675	1.3
347.37573	1.5
514.03253	1.1
751.42670	6.5
895.46753	15.3
913.47852	18.9
955.49091	100.0
991.31079	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	999.591
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	40.1
73.02934	85.8
80.37480	3.0
83.01371	25.2
85.02935	11.6
89.02433	27.4
92.09809	2.9
101.02435	88.5
113.02419	41.5
119.03445	7.5
122.22604	3.8
129.22623	2.9
134.06136	4.5
138.88271	3.2
149.04553	11.3
161.04532	24.0
167.44876	3.1
221.06647	20.8
230.11813	13.1
247.14499	15.1
273.12302	5.3
337.79749	3.7
368.19885	13.0
399.23743	7.2
406.91895	3.0
441.25290	100.0
454.26675	5.5
499.32745	29.4
573.36731	19.4
632.77167	3.2
END